A0A3Q0KRI0_SCHMA Loading...

DIS3-like exonuclease 1 AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KRI0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,209 aa.

						>A0A3Q0KRI0_SCHMA|A0A3Q0KRI0
MVGGYTVLREKSEKTIRYKTPRGKEVCLTREVYLRDDIPCRSLSCSQVECHQGGHCLPRDLETYILIDGFYALNYWELFELEDIKGVIVSLSSVNFVQQQASTKRPYKRIRSSLEDASQTCILFDNEFNRSCFRPPFADEILKDYTTRMNWVAANWYINHLKGHVSLVFVTDNENYVHTYSSETNTTSCKLTVLDLPGFLQMYYPTLTTAKLLFDSLDVSLRSIQSKDHNLPELSKSENPSESLDSYIMPSVPSVGHVYPEYLPESALAAGLRSGQFLKGILHVSRFRPTTEAMVALTDASAVKHQPELKEALAARSEIMIHGLQHRNRAVDGDVVVVRLLPRVHWKTVSSDISAQENCAAEFVNDLSNMSGSKPNEDCFKSETISRSLPCGFVVGVISHNWRDYVCTYVPKSTENSLDSKSESGWIIVTPWDRRIPLIRLHTTQISKLTRERFIVRIDTWDSYSAYPSGHFVQTLGCIGDLETETQTILIEHNLVIRNFTDAQLSELAPLSVQRPWKVDLEEVKKRRDLRSPTISGNPDSEDILIFSIDPPGCQDVDDALSVQWLPPIVDEYGKEHKRLQLGVHIADVSYFVPSGSYIDSEARRRSTSIYLADRRYDMLPGLLSGDLCSLWSGRDRYAVSVLWEIDMDSFDISNIWYGRTVIHSSYKLTYELAQRIYDSVTADNISSNSCAVEEFIKKSGGLEAVKNDIPELRDLNRDECLTALDKLSKSILLLVDIASNVRERRLAKGGLELESVEVSVQFANPETRTGKLEDLIPKEPLEMHNTVAELMIFANHWVARRCVEYYPDRACLRRHPPPRPEYFDELKRCIACRGFVLDTSSNLSLANSLKNASDPNDPEVNKVVRQLVTRTMTNALYFSTGSSNMTQDQFSHYGLALNLYTHFTSPIRRYADIIVHRLLLASLGDFRSLTTTQSELNSKNTELVTILENNTDGLFSSEELASICNHMNEQHWAAQQVQRSSLELFQALFFKDKAVDDPSRYTEGIICQLRGTNGFIAFVPRYGIKGAVCIKNADGHIAWVDYTTSDSGNILWLQDVQDIVIERVYSSERSDCGVLEIRNSKTNECQQYRMFDHVLLKINVSESVAHGLNIRLELVGLPKTNYSKGKLVTANITTENHSVCTPSLNTNLIKDVQDIDAERRQKREVSDLEHVDVSKRKHLIAQLHDRSSLYHRFHKLLRQSNEDEMETN
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.5	Very low	53.5	Low	243 Å²	243	134 Å²	134	100%	1.197	72%	0.715	S	S	*	*				0	111.8	0	-67.2	-166.8	-162.6	0	0	107.1	G3	M1-G3 VanDerWaalsContact C-N 3.28Å; M1-G3 PolarHBondContact O-N 2.69Å; M1-G3 VanDerWaalsContact O-N 3.12Å
2	V	44.9	Very low	55.7	Low	154 Å²	154	125.5 Å²	125.5	93%	0.933	67%	0.674	S	S	*	*			trans	-84	81.5	175	-175.3	0	0	0	0	106.2	G4	V2-G4 PolarHBondContact O-N 3.47Å; V2-G4 VanDerWaalsContact O-N 3.15Å
3	G	43.3	Very low	57.6	Low	52 Å²	52	124.2 Å²	124.2	54%	0.536	66%	0.661	S	S	.	*			trans	-64.7	112.2	171.6	0	0	0	0	0	107.7	M1 Y5	M1-G3 VanDerWaalsContact C-N 3.28Å; M1-G3 PolarHBondContact O-N 2.69Å; M1-G3 VanDerWaalsContact O-N 3.12Å; G3-Y5 PolarHBondContact O-N 3.27Å; G3-Y5 VanDerWaalsContact O-N 3.11Å
4	G	43	Very low	59.2	Low	67 Å²	67	116 Å²	116	69%	0.691	62%	0.617	S	S	*	*			trans	-58.6	116.2	172.7	0	0	0	0	0	109	V2 T6	V2-G4 PolarHBondContact O-N 3.47Å; V2-G4 VanDerWaalsContact O-N 3.15Å; G4-T6 PolarHBondContact O-N 3.18Å; G4-T6 VanDerWaalsContact O-N 3.1Å
5	Y	48.6	Very low	60.4	Low	223 Å²	223	112 Å²	112	88%	0.875	60%	0.598	S	S	*	*			trans	-67.6	109.1	171.3	-65.6	-82.8	0	0	0	107.8	G3 V7	G3-Y5 PolarHBondContact O-N 3.27Å; G3-Y5 VanDerWaalsContact O-N 3.11Å; Y5-V7 PolarHBondContact O-N 3.12Å
6	T	49.7	Very low	61.1	Low	122 Å²	122	105.8 Å²	105.8	75%	0.748	57%	0.565	S	S	*	*			trans	-83.7	102.9	169.3	-45.2	0	0	0	0	106.4	G4 L8	G4-T6 PolarHBondContact O-N 3.18Å; G4-T6 VanDerWaalsContact O-N 3.1Å; T6-L8 VanDerWaalsContact C-N 3.32Å; T6-L8 PolarHBondContact O-N 3.42Å
7	V	53.2	Low	62	Low	91 Å²	91	111.7 Å²	111.7	55%	0.552	58%	0.578	S	S	*	*			trans	-73.8	92	174.6	177.3	0	0	0	0	107.5	Y5 R9	Y5-V7 PolarHBondContact O-N 3.12Å; V7-R9 VanDerWaalsContact C-N 3.28Å; V7-R9 HydrophobicContact CG1-CB 4.24Å; V7-R9 VanDerWaalsContact CG1-CD 3.46Å; V7-R9 HydrophobicContact CG1-CG 3.51Å; V7-R9 PolarHBondContact O-N 3.32Å
8	L	54.1	Low	62.5	Low	132 Å²	132	108.7 Å²	108.7	69%	0.691	56%	0.558	S	S	*	*			trans	-68.1	87.7	170	-80.2	159.3	0	0	0	108.3	T6	T6-L8 VanDerWaalsContact C-N 3.32Å; T6-L8 PolarHBondContact O-N 3.42Å
9	R	60.3	Low	62.9	Low	165 Å²	165	109.9 Å²	109.9	62%	0.623	56%	0.559	S	S	*	*			trans	-108.2	92.1	173	-87.7	175.4	-166.1	173.5	7.3	108.3	V7 K11 Y33	V7-R9 VanDerWaalsContact C-N 3.28Å; V7-R9 HydrophobicContact CG1-CB 4.24Å; V7-R9 VanDerWaalsContact CG1-CD 3.46Å; V7-R9 HydrophobicContact CG1-CG 3.51Å; V7-R9 PolarHBondContact O-N 3.32Å; R9-K11 PolarHBondContact O-N 3.06Å; R9-Y33 HydrophobicContact CB-CD1 4.01Å; R9-Y33 HydrophobicContact CG-CD1 4.14Å
10	E	71.7	Confident	63.1	Low	114 Å²	114	106.1 Å²	106.1	53%	0.533	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	115.5	166	-173	174.8	-178.2	0	0	107.7	L34	E10-L34 HydrophobicContact CB-CB 4.39Å; E10-L34 PolarHBondContact O-N 3.24Å
11	K	78.3	Confident	62.6	Low	111 Å²	111	106.1 Å²	106.1	48%	0.483	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	123.9	178.2	-179.3	-176.6	177.4	176.2	0	108.6	R9 E31 Y33	R9-K11 PolarHBondContact O-N 3.06Å; K11-E31 WeakPolarHBondContact CE-OE1 3.44Å; K11-E31 VanDerWaalsContact NZ-CD 3.25Å; K11-E31 IonicContact NZ-OE1 2.73Å; K11-E31 PolarHBondContact NZ-OE1 3.32Å; K11-E31 IonicContact NZ-OE2 3.02Å; K11-Y33 HydrophobicContact CB-CE1 4.44Å; K11-Y33 HydrophobicContact CG-CE1 4.46Å
12	S	80.3	Confident	63.6	Low	32 Å²	32	105.1 Å²	105.1	22%	0.224	53%	0.531	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	166.7	168.7	-171.3	0	0	0	0	109.9	V32 F133	S12-V32 PolarHBondContact N-O 3.04Å; S12-V32 PolarHBondContact O-N 3.03Å; S12-F133 WeakPolarHBondContact OG-CE1 3.4Å
13	E	80.4	Confident	64.5	Low	109 Å²	109	100.4 Å²	100.4	51%	0.509	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	140.3	175.5	-66.9	179.4	-178.9	0	0	110.3
14	K	79.4	Confident	66	Low	9 Å²	9	105 Å²	105	4%	0.039	52%	0.519	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	109.9	173.1	-171	-167.3	-169.6	-166.5	0	108.2	I16 T29 R30 V32 E127 F133 Y145	K14-I16 HydrophobicContact CD-CD1 3.84Å; K14-I16 HydrophobicContact CD-CG1 4.22Å; K14-I16 HydrophobicContact CG-CD1 4.26Å; K14-I16 HydrophobicContact CG-CG1 4.06Å; K14-T29 WeakPolarHBondContact O-CA 3.5Å; K14-R30 PolarHBondContact N-O 3.49Å; K14-R30 PolarHBondContact O-N 2.87Å; K14-V32 HydrophobicContact CB-CG2 3.72Å; K14-E127 IonicContact NZ-OE1 2.8Å; K14-E127 PolarHBondContact NZ-OE1 3.33Å; K14-E127 IonicContact NZ-OE2 3.42Å; K14-E127 PolarHBondContact NZ-OE2 3.39Å; K14-F133 HydrophobicContact CB-CE2 4.21Å; K14-F133 HydrophobicContact CB-CZ 4.18Å; K14-F133 HydrophobicContact CD-CE2 4.48Å; K14-F133 HydrophobicContact CG-CE2 4.34Å; K14-Y145 WeakPolarHBondContact CE-OH 3.41Å
15	T	77.7	Confident	67.5	Low	56 Å²	56	109 Å²	109	34%	0.344	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	120.1	174.9	-62.7	0	0	0	0	109.2	C27 L28 T29 P136	T15-C27 VanDerWaalsContact CG2-SG 3.5Å; T15-L28 WeakPolarHBondContact CA-O 3.13Å; T15-T29 WeakPolarHBondContact OG1-CG2 3.5Å; T15-T29 PolarHBondContact OG1-OG1 3.43Å; T15-T29 VanDerWaalsContact OG1-OG1 3.05Å; T15-P136 VanDerWaalsContact O-CG 3.3Å; T15-P136 WeakPolarHBondContact O-CG 3.48Å
16	I	71.1	Confident	68.9	Low	12 Å²	12	100.8 Å²	100.8	6%	0.062	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	133.3	178.3	-52.7	172.7	0	0	0	108.4	K14 L28 L142	K14-I16 HydrophobicContact CD-CD1 3.84Å; K14-I16 HydrophobicContact CD-CG1 4.22Å; K14-I16 HydrophobicContact CG-CD1 4.26Å; K14-I16 HydrophobicContact CG-CG1 4.06Å; I16-L28 PolarHBondContact N-O 3.47Å; I16-L28 PolarHBondContact O-N 3.27Å; I16-L142 HydrophobicContact CG2-CD1 3.8Å
17	R	75.9	Confident	70.3	Confident	207 Å²	207	98.5 Å²	98.5	78%	0.781	48%	0.481	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.4	127.1	168.9	-64.3	-179.1	-173.2	169.9	4.7	108.9	V26 C27	R17-V26 WeakPolarHBondContact CA-O 2.99Å; R17-C27 HydrophobicContact CG-CB 4.28Å
18	Y	72	Confident	71.5	Confident	58 Å²	58	96.3 Å²	96.3	23%	0.227	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	159.3	176.2	73.4	-81.6	0	0	0	111.1	T20 E25 V26 L28	Y18-T20 HydrophobicContact CE2-CG2 4.2Å; Y18-E25 WeakPolarHBondContact O-CA 2.99Å; Y18-V26 HydrophobicContact CE1-CB 4.19Å; Y18-V26 HydrophobicContact CE1-CG1 4.06Å; Y18-V26 PolarHBondContact N-O 3.44Å; Y18-V26 PolarHBondContact O-N 3.46Å; Y18-L28 HydrophobicContact CE1-CB 4.12Å; Y18-L28 HydrophobicContact CE1-CD2 4.43Å
19	K	70.1	Confident	72.7	Confident	132 Å²	132	93.7 Å²	93.7	57%	0.574	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	126	174.3	-71.9	177.9	-179.4	178.6	0	109.4	K24 E25	K19-K24 CarbonylContact C-O 3.55Å; K19-K24 WeakPolarHBondContact CA-O 3.17Å; K19-E25 HydrophobicContact CD-CG 4.29Å; K19-E25 WeakPolarHBondContact CE-OE1 3.38Å; K19-E25 HydrophobicContact CG-CG 3.59Å; K19-E25 IonicContact NZ-OE1 3.56Å
20	T	65.7	Low	73.7	Confident	32 Å²	32	91.3 Å²	91.3	20%	0.196	45%	0.447	C	S	.	.			trans	-65.3	160.3	170.5	58.6	0	0	0	0	110.6	Y18 R22 G23 K24 V26	Y18-T20 HydrophobicContact CE2-CG2 4.2Å; T20-R22 PolarHBondContact O-N 2.84Å; T20-G23 WeakPolarHBondContact O-CA 3.46Å; T20-G23 PolarHBondContact O-N 2.81Å; T20-K24 PolarHBondContact N-O 2.92Å; T20-K24 WeakPolarHBondContact OG1-CB 3.38Å; T20-K24 PolarHBondContact OG1-N 3.15Å; T20-K24 VanDerWaalsContact OG1-N 3.14Å; T20-K24 PolarHBondContact OG1-O 3.5Å; T20-V26 HydrophobicContact CG2-CB 4.23Å; T20-V26 HydrophobicContact CG2-CG2 3.41Å; T20-V26 VanDerWaalsContact CG2-CG2 3.41Å
21	P	54.2	Low	74.3	Confident	108 Å²	108	90.6 Å²	90.6	70%	0.701	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-19.3	173.5	-27	35	0	0	0	114.3	G23	P21-G23 VanDerWaalsContact C-N 3.26Å; P21-G23 PolarHBondContact O-N 3.06Å
22	R	61.9	Low	74.5	Confident	221 Å²	221	85.6 Å²	85.6	83%	0.834	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	9.9	173.9	-63.6	-174.6	175.6	-174.9	-1.3	113.5	T20 K24	T20-R22 PolarHBondContact O-N 2.84Å; R22-K24 PolarHBondContact O-N 3.19Å
23	G	64.7	Low	74.7	Confident	55 Å²	55	88.8 Å²	88.8	57%	0.567	43%	0.43	S	S	*	.	S	Bend	trans	74.8	-0.6	-178.3	0	0	0	0	0	115.4	T20 P21	T20-G23 WeakPolarHBondContact O-CA 3.46Å; T20-G23 PolarHBondContact O-N 2.81Å; P21-G23 VanDerWaalsContact C-N 3.26Å; P21-G23 PolarHBondContact O-N 3.06Å
24	K	74.3	Confident	75.1	Confident	150 Å²	150	84.1 Å²	84.1	65%	0.652	41%	0.408	S	S	*	.			trans	-76.6	128.1	177.4	-65.5	-173.5	175.2	-172.7	0	110.6	K19 T20 R22	K19-K24 CarbonylContact C-O 3.55Å; K19-K24 WeakPolarHBondContact CA-O 3.17Å; T20-K24 PolarHBondContact N-O 2.92Å; T20-K24 WeakPolarHBondContact OG1-CB 3.38Å; T20-K24 PolarHBondContact OG1-N 3.15Å; T20-K24 VanDerWaalsContact OG1-N 3.14Å; T20-K24 PolarHBondContact OG1-O 3.5Å; R22-K24 PolarHBondContact O-N 3.19Å
25	E	74.9	Confident	75.5	Confident	149 Å²	149	89.2 Å²	89.2	70%	0.696	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.8	127.9	167.4	-74.2	-179.7	-180	0	0	110.2	Y18 K19	Y18-E25 WeakPolarHBondContact O-CA 2.99Å; K19-E25 HydrophobicContact CD-CG 4.29Å; K19-E25 WeakPolarHBondContact CE-OE1 3.38Å; K19-E25 HydrophobicContact CG-CG 3.59Å; K19-E25 IonicContact NZ-OE1 3.56Å
26	V	76.6	Confident	75.8	Confident	51 Å²	51	90.1 Å²	90.1	31%	0.309	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	129.9	178	172.7	0	0	0	0	108.1	R17 Y18 T20	R17-V26 WeakPolarHBondContact CA-O 2.99Å; Y18-V26 HydrophobicContact CE1-CB 4.19Å; Y18-V26 HydrophobicContact CE1-CG1 4.06Å; Y18-V26 PolarHBondContact N-O 3.44Å; Y18-V26 PolarHBondContact O-N 3.46Å; T20-V26 HydrophobicContact CG2-CB 4.23Å; T20-V26 HydrophobicContact CG2-CG2 3.41Å; T20-V26 VanDerWaalsContact CG2-CG2 3.41Å
27	C	80.3	Confident	76.3	Confident	74 Å²	74	94 Å²	94	50%	0.5	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	111.9	169.9	-172.2	0	0	0	0	108	T15 R17	T15-C27 VanDerWaalsContact CG2-SG 3.5Å; R17-C27 HydrophobicContact CG-CB 4.28Å
28	L	77	Confident	76.9	Confident	45 Å²	45	84.9 Å²	84.9	24%	0.236	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	110.3	178.1	177.4	67.9	0	0	0	108.8	T15 I16 Y18 R30	T15-L28 WeakPolarHBondContact CA-O 3.13Å; I16-L28 PolarHBondContact N-O 3.47Å; I16-L28 PolarHBondContact O-N 3.27Å; Y18-L28 HydrophobicContact CE1-CB 4.12Å; Y18-L28 HydrophobicContact CE1-CD2 4.43Å; L28-R30 HydrophobicContact CD1-CG 4.24Å; L28-R30 HydrophobicContact CD2-CG 4.48Å; L28-R30 HydrophobicContact CG-CG 4.14Å
29	T	80.1	Confident	77.8	Confident	77 Å²	77	83.6 Å²	83.6	47%	0.472	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	121.8	170.5	-58.3	0	0	0	0	108.7	K14 T15	K14-T29 WeakPolarHBondContact O-CA 3.5Å; T15-T29 WeakPolarHBondContact OG1-CG2 3.5Å; T15-T29 PolarHBondContact OG1-OG1 3.43Å; T15-T29 VanDerWaalsContact OG1-OG1 3.05Å
30	R	81.1	Confident	78.6	Confident	116 Å²	116	77.3 Å²	77.3	44%	0.438	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	135.6	174.9	-71.9	-176	175.9	170.8	2.6	109.7	K14 L28	K14-R30 PolarHBondContact N-O 3.49Å; K14-R30 PolarHBondContact O-N 2.87Å; L28-R30 HydrophobicContact CD1-CG 4.24Å; L28-R30 HydrophobicContact CD2-CG 4.48Å; L28-R30 HydrophobicContact CG-CG 4.14Å
31	E	84.1	Confident	79.7	Confident	99 Å²	99	78.6 Å²	78.6	46%	0.463	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	132	164	-58.9	-172.4	163.8	0	0	108.9	K11 Y33	K11-E31 WeakPolarHBondContact CE-OE1 3.44Å; K11-E31 VanDerWaalsContact NZ-CD 3.25Å; K11-E31 IonicContact NZ-OE1 2.73Å; K11-E31 PolarHBondContact NZ-OE1 3.32Å; K11-E31 IonicContact NZ-OE2 3.02Å; E31-Y33 HydrophobicContact CB-CE2 4.18Å; E31-Y33 PolarHBondContact OE2-OH 2.93Å
32	V	82.5	Confident	81.3	Confident	6 Å²	6	73.5 Å²	73.5	4%	0.036	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	126.4	-179.6	-175.2	0	0	0	0	107.8	S12 K14 L34 E127 F128 F133	S12-V32 PolarHBondContact N-O 3.04Å; S12-V32 PolarHBondContact O-N 3.03Å; K14-V32 HydrophobicContact CB-CG2 3.72Å; V32-L34 HydrophobicContact CG1-CD2 3.86Å; V32-E127 VanDerWaalsContact CG1-O 3.29Å; V32-E127 WeakPolarHBondContact CG1-O 3.31Å; V32-F128 HydrophobicContact CG1-CD1 3.68Å; V32-F128 HydrophobicContact CG1-CE1 3.96Å; V32-F133 HydrophobicContact CB-CE2 4.45Å; V32-F133 HydrophobicContact CG1-CD2 4.33Å; V32-F133 HydrophobicContact CG1-CE2 4.26Å; V32-F133 HydrophobicContact CG2-CE2 4.26Å
33	Y	85.6	Confident	82.3	Confident	98 Å²	98	66.1 Å²	66.1	38%	0.384	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	110.5	179	-66	-86.2	0	0	0	108.7	R9 K11 E31	R9-Y33 HydrophobicContact CB-CD1 4.01Å; R9-Y33 HydrophobicContact CG-CD1 4.14Å; K11-Y33 HydrophobicContact CB-CE1 4.44Å; K11-Y33 HydrophobicContact CG-CE1 4.46Å; E31-Y33 HydrophobicContact CB-CE2 4.18Å; E31-Y33 PolarHBondContact OE2-OH 2.93Å
34	L	88.8	Confident	83.3	Confident	12 Å²	12	64.6 Å²	64.6	6%	0.063	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	143.6	-174.1	-56.3	-179.4	0	0	0	111.7	E10 V32 F128 R130 F133	E10-L34 HydrophobicContact CB-CB 4.39Å; E10-L34 PolarHBondContact O-N 3.24Å; V32-L34 HydrophobicContact CG1-CD2 3.86Å; L34-F128 CarbonylContact C-O 3.56Å; L34-F128 WeakPolarHBondContact CA-O 3.4Å; L34-R130 HydrophobicContact CB-CB 4.09Å; L34-R130 HydrophobicContact CB-CG 4.37Å; L34-F133 HydrophobicContact CD1-CB 4.43Å; L34-F133 HydrophobicContact CD1-CD1 4.02Å; L34-F133 HydrophobicContact CD1-CG 4.48Å; L34-F133 HydrophobicContact CD2-CB 3.5Å; L34-F133 VanDerWaalsContact CD2-CB 3.5Å; L34-F133 HydrophobicContact CD2-CD1 3.87Å; L34-F133 HydrophobicContact CD2-CD2 4.21Å; L34-F133 HydrophobicContact CD2-CG 3.58Å
35	R	87.3	Confident	83.9	Confident	115 Å²	115	57.7 Å²	57.7	43%	0.434	29%	0.285	S	S	.	.	B	Isolated β-bridge	trans	-142.1	150.1	-171.7	-71.1	179.4	68.7	170	3.1	111.1	D37 I38 F128 N129 R130	R35-D37 WeakPolarHBondContact CB-OD1 3.35Å; R35-D37 IonicContact CZ-OD1 3.02Å; R35-D37 IonicContact CZ-OD2 3.92Å; R35-D37 IonicContact NE-OD1 3.57Å; R35-D37 PolarHBondContact NE-OD1 2.98Å; R35-D37 IonicContact NE-OD2 3.96Å; R35-D37 VanDerWaalsContact NH2-CG 3.31Å; R35-D37 IonicContact NH2-OD1 3.99Å; R35-D37 PolarHBondContact NH2-OD1 3.14Å; R35-D37 IonicContact NH2-OD2 2.67Å; R35-D37 PolarHBondContact NH2-OD2 3.1Å; R35-I38 HydrophobicContact CB-CD1 4.03Å; R35-I38 HydrophobicContact CB-CG1 4.18Å; R35-F128 PolarHBondContact N-O 2.94Å; R35-N129 CarbonylContact O-C 3.48Å; R35-N129 WeakPolarHBondContact O-CA 3.48Å; R35-R130 PolarHBondContact O-N 2.9Å
36	D	82.9	Confident	84.3	Confident	76 Å²	76	55.3 Å²	55.3	41%	0.406	29%	0.285	S	S	.	.	S	Bend	trans	-96.8	-19.8	173.5	-65.3	-50.6	0	0	0	113.4	I38 R130	D36-I38 VanDerWaalsContact C-N 3.26Å; D36-I38 PolarHBondContact O-N 3.28Å; D36-R130 IonicContact OD1-CZ 2.7Å; D36-R130 IonicContact OD1-NE 2.77Å; D36-R130 PolarHBondContact OD1-NE 3.05Å; D36-R130 IonicContact OD1-NH2 2.62Å; D36-R130 PolarHBondContact OD1-NH2 3.1Å; D36-R130 IonicContact OD2-CZ 2.85Å; D36-R130 IonicContact OD2-NE 3.64Å; D36-R130 PolarHBondContact OD2-NE 3.31Å; D36-R130 IonicContact OD2-NH1 2.61Å; D36-R130 PolarHBondContact OD2-NH1 3.26Å; D36-R130 IonicContact OD2-NH2 3.53Å; D36-R130 PolarHBondContact OD2-NH2 2.9Å
37	D	83.5	Confident	84.7	Confident	94 Å²	94	56.7 Å²	56.7	50%	0.503	29%	0.288	S	S	.	.			trans	-91.2	30.1	-172.7	64.7	-29.2	0	0	0	112.7	R35 P39	R35-D37 WeakPolarHBondContact CB-OD1 3.35Å; R35-D37 IonicContact CZ-OD1 3.02Å; R35-D37 IonicContact CZ-OD2 3.92Å; R35-D37 IonicContact NE-OD1 3.57Å; R35-D37 PolarHBondContact NE-OD1 2.98Å; R35-D37 IonicContact NE-OD2 3.96Å; R35-D37 VanDerWaalsContact NH2-CG 3.31Å; R35-D37 IonicContact NH2-OD1 3.99Å; R35-D37 PolarHBondContact NH2-OD1 3.14Å; R35-D37 IonicContact NH2-OD2 2.67Å; R35-D37 PolarHBondContact NH2-OD2 3.1Å; D37-P39 WeakPolarHBondContact O-CD 3.48Å
38	I	88.3	Confident	84.6	Confident	15 Å²	15	58.2 Å²	58.2	8%	0.077	30%	0.295	C	S	.	.			trans	-79.4	116.8	175	-57.4	-59.1	0	0	0	108.8	R35 D36 F124 D125 F128 N129	R35-I38 HydrophobicContact CB-CD1 4.03Å; R35-I38 HydrophobicContact CB-CG1 4.18Å; D36-I38 VanDerWaalsContact C-N 3.26Å; D36-I38 PolarHBondContact O-N 3.28Å; I38-F124 HydrophobicContact CG2-CD2 4.31Å; I38-F124 HydrophobicContact CG2-CE2 3.9Å; I38-D125 HydrophobicContact CG2-CB 4.01Å; I38-F128 HydrophobicContact CD1-CB 4.06Å; I38-F128 HydrophobicContact CG1-CB 4.49Å; I38-N129 HydrophobicContact CB-CB 4.2Å; I38-N129 HydrophobicContact CG1-CB 4.02Å
39	P	89.5	Confident	84.8	Confident	31 Å²	31	61.5 Å²	61.5	20%	0.201	31%	0.309	C	S	.	.			trans	-69	138.6	-175	27.8	-34.7	0	0	0	111.6	D37 R41 C50	D37-P39 WeakPolarHBondContact O-CD 3.48Å; P39-R41 VanDerWaalsContact C-N 3.26Å; P39-R41 HydrophobicContact CB-CG 4.37Å; P39-R41 HydrophobicContact CG-CG 4.44Å; P39-R41 PolarHBondContact O-N 3.14Å; P39-C50 WeakPolarHBondContact CB-O 3.38Å
40	C	88.5	Confident	85	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.288	C	S	.	.			trans	-77.4	-10.6	174.3	71.9	0	0	0	0	113.7	S42 C45 C50 I122 W156 Y157 H160	C40-S42 PolarHBondContact O-N 3.24Å; C40-C45 VanDerWaalsContact SG-CB 3.53Å; C40-C50 VanDerWaalsContact SG-CB 3.55Å; C40-I122 WeakPolarHBondContact O-CD1 3.18Å; C40-W156 HydrophobicContact CB-CH2 3.73Å; C40-W156 HydrophobicContact CB-CZ3 3.79Å; C40-Y157 HydrophobicContact CB-CD1 4.44Å; C40-Y157 HydrophobicContact CB-CE1 3.7Å; C40-Y157 PolarHBondContact O-OH 3.32Å; C40-H160 PolarHBondContact SG-NE2 3.01Å; C40-H160 VanDerWaalsContact SG-NE2 3.41Å
41	R	87.4	Confident	85	Confident	59 Å²	59	54.9 Å²	54.9	22%	0.223	28%	0.278	C	S	.	.			trans	51.3	40.4	179.9	-59.5	-173.2	177.9	-156.4	-1	113.8	P39 C50 G53 C56 L57 I122	P39-R41 VanDerWaalsContact C-N 3.26Å; P39-R41 HydrophobicContact CB-CG 4.37Å; P39-R41 HydrophobicContact CG-CG 4.44Å; P39-R41 PolarHBondContact O-N 3.14Å; R41-C50 VanDerWaalsContact CA-O 3.31Å; R41-C50 WeakPolarHBondContact CA-O 3.14Å; R41-C50 PolarHBondContact N-O 3.24Å; R41-C50 VanDerWaalsContact N-O 3.07Å; R41-G53 VanDerWaalsContact CZ-O 3.27Å; R41-G53 PolarHBondContact NH2-O 2.9Å; R41-C56 CarbonylContact O-C 3.39Å; R41-C56 WeakPolarHBondContact O-CA 3.4Å; R41-C56 WeakPolarHBondContact O-CB 3.49Å; R41-L57 PolarHBondContact O-N 3.33Å; R41-I122 HydrophobicContact CB-CB 4.42Å; R41-I122 HydrophobicContact CB-CD1 3.84Å; R41-I122 HydrophobicContact CB-CG2 4.2Å
42	S	87.9	Confident	84.3	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-119.9	126.1	174.9	166.5	0	0	0	0	110	C40 S44 C45 H51 Y64	C40-S42 PolarHBondContact O-N 3.24Å; S42-S44 PolarHBondContact O-N 2.71Å; S42-S44 WeakPolarHBondContact OG-CB 3.4Å; S42-S44 PolarHBondContact OG-N 3.04Å; S42-C45 VanDerWaalsContact O-CB 3.31Å; S42-C45 WeakPolarHBondContact O-CB 3.22Å; S42-C45 PolarHBondContact O-N 3.45Å; S42-H51 PolarHBondContact O-CD2 2.77Å; S42-H51 PolarHBondContact O-NE2 3.02Å; S42-H51 VanDerWaalsContact O-NE2 3.13Å; S42-Y64 WeakPolarHBondContact OG-CE2 3.31Å; S42-Y64 PolarHBondContact OG-OH 3.45Å
43	L	84.2	Confident	83.3	Confident	66 Å²	66	59 Å²	59	35%	0.346	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-11.9	174	-65.2	-175.3	0	0	0	113.1	C45 C56 L57 R59	L43-C45 VanDerWaalsContact C-N 3.31Å; L43-C56 HydrophobicContact CD2-CB 3.8Å; L43-C56 HydrophobicContact CG-CB 3.79Å; L43-L57 WeakPolarHBondContact CB-O 3.33Å; L43-L57 WeakPolarHBondContact CG-O 3.26Å; L43-L57 PolarHBondContact N-O 2.96Å; L43-R59 HydrophobicContact CB-CB 4.19Å; L43-R59 PolarHBondContact O-NE 3.22Å; L43-R59 PolarHBondContact O-NH2 2.76Å
44	S	85.2	Confident	82.4	Confident	24 Å²	24	56.3 Å²	56.3	17%	0.168	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-14.4	171.1	-56.9	0	0	0	0	112.5	S42 R59 Y64	S42-S44 PolarHBondContact O-N 2.71Å; S42-S44 WeakPolarHBondContact OG-CB 3.4Å; S42-S44 PolarHBondContact OG-N 3.04Å; S44-R59 WeakPolarHBondContact OG-CA 3.31Å; S44-Y64 PolarHBondContact OG-OH 2.71Å
45	C	87.3	Confident	81.7	Confident	5 Å²	5	58.4 Å²	58.4	3%	0.034	33%	0.325	C	S	.	.	S	Bend	trans	-72.2	136.8	172.8	-173.3	0	0	0	0	111	C40 S42 L43 Q47 C50 H51 H160 L161	C40-C45 VanDerWaalsContact SG-CB 3.53Å; S42-C45 VanDerWaalsContact O-CB 3.31Å; S42-C45 WeakPolarHBondContact O-CB 3.22Å; S42-C45 PolarHBondContact O-N 3.45Å; L43-C45 VanDerWaalsContact C-N 3.31Å; C45-Q47 VanDerWaalsContact C-N 3.27Å; C45-Q47 PolarHBondContact O-N 2.95Å; C45-Q47 PolarHBondContact SG-N 3.08Å; C45-Q47 VanDerWaalsContact SG-N 3.39Å; C45-C50 HydrophobicContact CB-CB 4.18Å; C45-H51 PolarHBondContact O-CE1 3.49Å; C45-H51 VanDerWaalsContact O-CE1 3.29Å; C45-H51 PolarHBondContact O-NE2 3.18Å; C45-H160 PolarHBondContact SG-NE2 3.47Å; C45-L161 HydrophobicContact CB-CD2 3.76Å
46	S	82.8	Confident	81.5	Confident	98 Å²	98	54.4 Å²	54.4	69%	0.685	31%	0.314	S	S	*	.	S	Bend	trans	-73.9	-16.5	176.4	56.5	0	0	0	0	113.7
47	Q	84.5	Confident	81.6	Confident	80 Å²	80	50.8 Å²	50.8	37%	0.374	30%	0.295	S	S	.	.			trans	-87.5	120.5	-177.2	-64.5	-177.4	-36.5	0	0	110.7	C45 E49 C50 H160	C45-Q47 VanDerWaalsContact C-N 3.27Å; C45-Q47 PolarHBondContact O-N 2.95Å; C45-Q47 PolarHBondContact SG-N 3.08Å; C45-Q47 VanDerWaalsContact SG-N 3.39Å; Q47-E49 VanDerWaalsContact C-N 3.28Å; Q47-E49 HydrophobicContact CB-CG 4.09Å; Q47-E49 PolarHBondContact O-N 2.82Å; Q47-C50 HydrophobicContact CB-CB 4.42Å; Q47-C50 WeakPolarHBondContact O-CB 3.19Å; Q47-C50 PolarHBondContact O-N 3.09Å; Q47-C50 VanDerWaalsContact O-N 3.13Å; Q47-H160 PolarHBondContact OE1-CE1 2.91Å
48	V	78.4	Confident	81.5	Confident	107 Å²	107	48.1 Å²	48.1	65%	0.648	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-65	-32.3	-178.8	-179	0	0	0	0	112.1	C50 H51	V48-C50 PolarHBondContact O-N 2.8Å; V48-H51 WeakPolarHBondContact O-CB 3.48Å; V48-H51 PolarHBondContact O-N 2.68Å
49	E	81.6	Confident	81.2	Confident	113 Å²	113	55.7 Å²	55.7	53%	0.528	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-60.8	-28.4	175.3	65.1	-158.3	162.1	0	0	112.7	Q47 H51 Q52	Q47-E49 VanDerWaalsContact C-N 3.28Å; Q47-E49 HydrophobicContact CB-CG 4.09Å; Q47-E49 PolarHBondContact O-N 2.82Å; E49-H51 PolarHBondContact O-N 2.75Å; E49-Q52 PolarHBondContact O-N 2.95Å
50	C	84.4	Confident	80.9	Confident	4 Å²	4	60.2 Å²	60.2	3%	0.027	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-72.7	-13.4	176.1	-76.1	0	0	0	0	113.8	P39 C40 R41 C45 Q47 V48 H160	P39-C50 WeakPolarHBondContact CB-O 3.38Å; C40-C50 VanDerWaalsContact SG-CB 3.55Å; R41-C50 VanDerWaalsContact CA-O 3.31Å; R41-C50 WeakPolarHBondContact CA-O 3.14Å; R41-C50 PolarHBondContact N-O 3.24Å; R41-C50 VanDerWaalsContact N-O 3.07Å; C45-C50 HydrophobicContact CB-CB 4.18Å; Q47-C50 HydrophobicContact CB-CB 4.42Å; Q47-C50 WeakPolarHBondContact O-CB 3.19Å; Q47-C50 PolarHBondContact O-N 3.09Å; Q47-C50 VanDerWaalsContact O-N 3.13Å; V48-C50 PolarHBondContact O-N 2.8Å; C50-H160 VanDerWaalsContact SG-CE1 3.59Å; C50-H160 PolarHBondContact SG-NE2 3.13Å
51	H	79.4	Confident	80.7	Confident	51 Å²	51	61.3 Å²	61.3	24%	0.236	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-92.2	-5	178.5	-50.5	156.5	0	0	0	112.2	S42 C45 V48 E49	S42-H51 PolarHBondContact O-CD2 2.77Å; S42-H51 PolarHBondContact O-NE2 3.02Å; S42-H51 VanDerWaalsContact O-NE2 3.13Å; C45-H51 PolarHBondContact O-CE1 3.49Å; C45-H51 VanDerWaalsContact O-CE1 3.29Å; C45-H51 PolarHBondContact O-NE2 3.18Å; V48-H51 WeakPolarHBondContact O-CB 3.48Å; V48-H51 PolarHBondContact O-N 2.68Å; E49-H51 PolarHBondContact O-N 2.75Å
52	Q	69.8	Low	80.6	Confident	129 Å²	129	66.1 Å²	66.1	60%	0.603	36%	0.364	S	S	*	.			trans	-82	148.3	-179.8	-62.1	-176.4	-4.8	0	0	111.6	E49	E49-Q52 PolarHBondContact O-N 2.95Å
53	G	62.8	Low	80.7	Confident	61 Å²	61	68 Å²	68	63%	0.629	38%	0.375	S	S	*	.	S	Bend	trans	98.4	14.7	168.9	0	0	0	0	0	116.6	R41	R41-G53 VanDerWaalsContact CZ-O 3.27Å; R41-G53 PolarHBondContact NH2-O 2.9Å
54	G	67.1	Low	81.1	Confident	43 Å²	43	65 Å²	65	44%	0.443	36%	0.359	S	S	.	.	S	Bend	trans	134.9	-155.6	169.4	0	0	0	0	0	114	C56	G54-C56 PolarHBondContact O-N 2.68Å
55	H	72.7	Confident	81.5	Confident	55 Å²	55	63.9 Å²	63.9	26%	0.255	35%	0.352	S	S	.	.			trans	-56.6	134	178.3	-65.1	-73.7	0	0	0	112.1	A117 Y598	H55-A117 WeakPolarHBondContact CE1-CB 3.49Å; H55-Y598 AromaticContact CE1-CD1 3.66Å; H55-Y598 AromaticContact CE1-CE1 2.98Å; H55-Y598 WeakPolarHBondContact CE1-CE1 3.38Å; H55-Y598 AromaticContact CE1-CZ 3.59Å; H55-Y598 AromaticContact ND1-CE1 3.77Å; H55-Y598 AromaticContact ND1-CZ 3.92Å; H55-Y598 AromaticContact NE2-CE1 3.63Å
56	C	82.5	Confident	81.9	Confident	31 Å²	31	63.7 Å²	63.7	21%	0.209	35%	0.35	C	S	.	.			trans	-116.4	147.4	176.1	-68.8	0	0	0	0	110.6	R41 L43 G54	R41-C56 CarbonylContact O-C 3.39Å; R41-C56 WeakPolarHBondContact O-CA 3.4Å; R41-C56 WeakPolarHBondContact O-CB 3.49Å; L43-C56 HydrophobicContact CD2-CB 3.8Å; L43-C56 HydrophobicContact CG-CB 3.79Å; G54-C56 PolarHBondContact O-N 2.68Å
57	L	86.1	Confident	82.6	Confident	1 Å²	1	59 Å²	59	1%	0.005	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-63.7	134.6	171.2	-64.7	-177.6	0	0	0	110.1	R41 L43 Y64 I88 T120 I122	R41-L57 PolarHBondContact O-N 3.33Å; L43-L57 WeakPolarHBondContact CB-O 3.33Å; L43-L57 WeakPolarHBondContact CG-O 3.26Å; L43-L57 PolarHBondContact N-O 2.96Å; L57-Y64 HydrophobicContact CB-CE1 3.98Å; L57-Y64 HydrophobicContact CD1-CD1 3.84Å; L57-Y64 HydrophobicContact CD1-CD2 4.1Å; L57-Y64 HydrophobicContact CD1-CE1 3.79Å; L57-Y64 HydrophobicContact CD1-CE2 4.05Å; L57-Y64 HydrophobicContact CD1-CG 4.01Å; L57-I88 HydrophobicContact CD1-CD1 4.17Å; L57-I88 HydrophobicContact CD1-CG1 3.79Å; L57-T120 VanDerWaalsContact CD2-O 3.27Å; L57-T120 WeakPolarHBondContact CD2-O 3.3Å; L57-I122 HydrophobicContact CD1-CD1 3.82Å; L57-I122 HydrophobicContact CD1-CG1 3.92Å; L57-I122 HydrophobicContact CD2-CG1 4.24Å; L57-I122 HydrophobicContact CD2-CG2 3.9Å; L57-I122 HydrophobicContact CG-CD1 3.89Å; L57-I122 HydrophobicContact CG-CG1 3.87Å; L57-I122 HydrophobicContact CG-CG2 3.88Å
58	P	81.9	Confident	83.1	Confident	38 Å²	38	55.3 Å²	55.3	25%	0.247	30%	0.3	C	S	.	.			trans	-71.9	160.3	-175.2	33.5	-39.3	0	0	0	112.1	D60 L61 T120	P58-D60 WeakPolarHBondContact CB-OD1 3.41Å; P58-D60 WeakPolarHBondContact CG-OD1 3.32Å; P58-L61 HydrophobicContact CG-CD1 3.64Å; P58-L61 HydrophobicContact CG-CG 3.9Å; P58-T120 HydrophobicContact CG-CG2 4.46Å
59	R	82	Confident	83.9	Confident	174 Å²	174	50.2 Å²	50.2	66%	0.657	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-23.4	-169.6	-175.6	179.8	-70.4	176.5	0.4	113.4	L43 S44 L61	L43-R59 HydrophobicContact CB-CB 4.19Å; L43-R59 PolarHBondContact O-NE 3.22Å; L43-R59 PolarHBondContact O-NH2 2.76Å; S44-R59 WeakPolarHBondContact OG-CA 3.31Å; R59-L61 PolarHBondContact O-N 3.37Å
60	D	81.8	Confident	84.5	Confident	125 Å²	125	46.7 Å²	46.7	67%	0.668	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-19.5	178	62.6	-39.3	0	0	0	113.2	P58 E62	P58-D60 WeakPolarHBondContact CB-OD1 3.41Å; P58-D60 WeakPolarHBondContact CG-OD1 3.32Å; D60-E62 PolarHBondContact O-N 2.68Å
61	L	84.5	Confident	85	Confident	24 Å²	24	47 Å²	47	13%	0.126	25%	0.253	C	S	.	.			trans	-71.7	113.3	176.6	-68.8	175	0	0	0	111.5	P58 R59 Y64 K85	P58-L61 HydrophobicContact CG-CD1 3.64Å; P58-L61 HydrophobicContact CG-CG 3.9Å; R59-L61 PolarHBondContact O-N 3.37Å; L61-Y64 HydrophobicContact CB-CD1 4.29Å; L61-Y64 HydrophobicContact CB-CE1 3.76Å; L61-Y64 HydrophobicContact CD1-CE1 4.2Å; L61-K85 HydrophobicContact CD1-CB 4.39Å; L61-K85 HydrophobicContact CD2-CB 3.74Å
62	E	85.2	Confident	85.7	Confident	160 Å²	160	44.6 Å²	44.6	75%	0.748	24%	0.242	S	C	*	.	S	Bend	trans	-78.6	-21.3	175.9	-60	-173.4	167.6	0	0	113.2	D60 V165 S166	D60-E62 PolarHBondContact O-N 2.68Å; E62-V165 WeakPolarHBondContact O-CG1 3.41Å; E62-S166 PolarHBondContact O-N 3.09Å
63	T	89.5	Confident	86.8	Confident	40 Å²	40	40 Å²	40	25%	0.245	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	131.6	-175.6	-57.3	0	0	0	0	111	S166 V168 Y203	T63-S166 CarbonylContact C-O 3.56Å; T63-S166 VanDerWaalsContact CA-O 3.31Å; T63-S166 WeakPolarHBondContact CA-O 3.24Å; T63-V168 HydrophobicContact CG2-CG2 3.68Å; T63-Y203 HydrophobicContact CG2-CE1 4.04Å
64	Y	92.8	Very high	88.2	Confident	1 Å²	1	39 Å²	39	0%	0.004	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	149.8	170.6	-69	-12.1	0	0	0	110.8	S42 S44 L57 L61 G86 I88 L161 V165 S166 L167 V168	S42-Y64 WeakPolarHBondContact OG-CE2 3.31Å; S42-Y64 PolarHBondContact OG-OH 3.45Å; S44-Y64 PolarHBondContact OG-OH 2.71Å; L57-Y64 HydrophobicContact CB-CE1 3.98Å; L57-Y64 HydrophobicContact CD1-CD1 3.84Å; L57-Y64 HydrophobicContact CD1-CD2 4.1Å; L57-Y64 HydrophobicContact CD1-CE1 3.79Å; L57-Y64 HydrophobicContact CD1-CE2 4.05Å; L57-Y64 HydrophobicContact CD1-CG 4.01Å; L61-Y64 HydrophobicContact CB-CD1 4.29Å; L61-Y64 HydrophobicContact CB-CE1 3.76Å; L61-Y64 HydrophobicContact CD1-CE1 4.2Å; Y64-G86 WeakPolarHBondContact CA-O 3.11Å; Y64-I88 HydrophobicContact CD2-CD1 3.91Å; Y64-I88 HydrophobicContact CG-CD1 4.15Å; Y64-L161 HydrophobicContact CD2-CD1 4Å; Y64-L161 HydrophobicContact CE2-CD1 3.72Å; Y64-V165 HydrophobicContact CD1-CG1 3.76Å; Y64-V165 HydrophobicContact CD2-CB 4.37Å; Y64-V165 HydrophobicContact CD2-CG1 3.72Å; Y64-V165 HydrophobicContact CE1-CG1 3.98Å; Y64-V165 HydrophobicContact CE2-CB 4.35Å; Y64-V165 HydrophobicContact CE2-CG1 3.95Å; Y64-V165 HydrophobicContact CE2-CG2 4.15Å; Y64-V165 HydrophobicContact CG-CG1 3.61Å; Y64-S166 PolarHBondContact N-O 3.47Å; Y64-L167 WeakPolarHBondContact O-CA 3.49Å; Y64-V168 PolarHBondContact O-N 3.02Å
65	I	94.8	Very high	89.5	Confident	2 Å²	2	37.3 Å²	37.3	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	113.4	-174.8	-53.3	157.7	0	0	0	108	I67 F79 I84 K85 G86 V87 I88 V168 V170 F199	I65-I67 HydrophobicContact CG2-CG1 4.14Å; I65-F79 HydrophobicContact CG2-CE1 4.45Å; I65-I84 HydrophobicContact CD1-CG2 3.58Å; I65-K85 WeakPolarHBondContact CD1-O 3.35Å; I65-G86 PolarHBondContact N-O 2.8Å; I65-V87 HydrophobicContact CD1-CG2 4.35Å; I65-I88 PolarHBondContact O-N 2.62Å; I65-V168 CarbonylContact C-O 3.55Å; I65-V168 WeakPolarHBondContact CA-O 3.35Å; I65-V170 HydrophobicContact CG2-CG2 3.7Å; I65-F199 HydrophobicContact CD1-CE1 4.48Å; I65-F199 HydrophobicContact CD1-CE2 4.19Å; I65-F199 HydrophobicContact CD1-CZ 3.53Å; I65-F199 HydrophobicContact CG1-CE2 4.02Å; I65-F199 HydrophobicContact CG1-CZ 3.85Å; I65-F199 HydrophobicContact CG2-CE2 4.43Å; I65-F199 HydrophobicContact CG2-CZ 4.17Å
66	L	96.2	Very high	90.5	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	122	171.1	-173.9	74.8	0	0	0	109.4	I88 N150 A153 A154 L167 V168 F169 V170	L66-I88 WeakPolarHBondContact CA-O 3.27Å; L66-I88 HydrophobicContact CD1-CB 3.91Å; L66-I88 HydrophobicContact CD1-CG2 3.59Å; L66-N150 HydrophobicContact CD2-CB 4.13Å; L66-N150 WeakPolarHBondContact CD2-O 3.46Å; L66-A153 HydrophobicContact CD2-CB 4.49Å; L66-A154 HydrophobicContact CD2-CB 3.73Å; L66-L167 HydrophobicContact CB-CD1 4.45Å; L66-V168 PolarHBondContact N-O 2.86Å; L66-F169 HydrophobicContact CB-CD2 4.27Å; L66-F169 HydrophobicContact CD2-CD2 3.98Å; L66-F169 HydrophobicContact CD2-CE2 4.4Å; L66-F169 HydrophobicContact CG-CD2 4.24Å; L66-F169 WeakPolarHBondContact O-CD2 3.28Å; L66-V170 PolarHBondContact O-N 2.82Å
67	I	96.1	Very high	90.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	128	-174.8	-53.7	167.8	0	0	0	111	I65 A72 W76 F79 V87 I88 S93	I65-I67 HydrophobicContact CG2-CG1 4.14Å; I67-A72 HydrophobicContact CG2-CB 4.04Å; I67-W76 HydrophobicContact CD1-CE3 4.49Å; I67-W76 HydrophobicContact CD1-CH2 4.37Å; I67-W76 HydrophobicContact CD1-CZ3 3.71Å; I67-F79 HydrophobicContact CD1-CB 3.97Å; I67-F79 HydrophobicContact CD1-CD1 3.37Å; I67-F79 HydrophobicContact CD1-CD2 3.55Å; I67-F79 HydrophobicContact CD1-CE1 3.59Å; I67-F79 HydrophobicContact CD1-CE2 3.76Å; I67-F79 HydrophobicContact CD1-CG 3.33Å; I67-F79 HydrophobicContact CD1-CZ 3.77Å; I67-F79 HydrophobicContact CG1-CD1 4.08Å; I67-F79 HydrophobicContact CG1-CD2 4.5Å; I67-F79 HydrophobicContact CG1-CE1 3.79Å; I67-F79 HydrophobicContact CG1-CE2 4.24Å; I67-F79 HydrophobicContact CG1-CG 4.41Å; I67-F79 HydrophobicContact CG1-CZ 3.87Å; I67-F79 HydrophobicContact CG2-CD2 4.49Å; I67-F79 HydrophobicContact CG2-CE2 3.81Å; I67-F79 HydrophobicContact CG2-CZ 3.89Å; I67-V87 HydrophobicContact CD1-CB 4.49Å; I67-V87 HydrophobicContact CD1-CG1 3.24Å; I67-V87 HydrophobicContact CG1-CG1 4.14Å; I67-I88 PolarHBondContact N-O 3.05Å; I67-I88 VanDerWaalsContact N-O 3.11Å; I67-S93 PolarHBondContact O-OG 3.18Å
68	D	96.2	Very high	91.2	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.011	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-73.2	158.9	173.9	-154.7	3	0	0	0	113.2	F70 Y71 A72 T147 N150 F169 V170 T171	D68-F70 VanDerWaalsContact C-N 3.28Å; D68-F70 PolarHBondContact O-N 3.05Å; D68-Y71 PolarHBondContact O-N 2.76Å; D68-A72 WeakPolarHBondContact O-CB 3.49Å; D68-A72 PolarHBondContact O-N 3.41Å; D68-T147 WeakPolarHBondContact OD2-CB 3.44Å; D68-T147 PolarHBondContact OD2-OG1 3.28Å; D68-N150 PolarHBondContact OD1-ND2 3.5Å; D68-F169 HydrophobicContact CB-CE2 3.87Å; D68-F169 HydrophobicContact CB-CZ 4.22Å; D68-V170 VanDerWaalsContact CB-O 3.3Å; D68-V170 WeakPolarHBondContact CB-O 3.17Å; D68-V170 PolarHBondContact N-O 2.88Å; D68-T171 WeakPolarHBondContact OD2-CB 3.37Å; D68-T171 PolarHBondContact OD2-OG1 3.15Å
69	G	93.4	Very high	91.7	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-57.2	-36.8	-173.7	0	0	0	0	0	114.1	L73 S93 F96	G69-L73 WeakPolarHBondContact O-CB 3.24Å; G69-L73 PolarHBondContact O-N 3.16Å; G69-S93 PolarHBondContact N-OG 3.14Å; G69-F96 VanDerWaalsContact C-CE1 3.48Å; G69-F96 VanDerWaalsContact O-CD1 3.31Å; G69-F96 WeakPolarHBondContact O-CD1 3.3Å
70	F	94.3	Very high	92.1	Very high	39 Å²	39	27 Å²	27	17%	0.171	13%	0.134	C	C	.	.	H	α-helix	trans	-64.3	-47.7	178.9	176.5	-98	0	0	0	112.5	D68 L73 N74 Y75 D172	D68-F70 VanDerWaalsContact C-N 3.28Å; D68-F70 PolarHBondContact O-N 3.05Å; F70-L73 PolarHBondContact O-N 3.24Å; F70-N74 VanDerWaalsContact CD2-ND2 3.33Å; F70-N74 WeakPolarHBondContact CD2-ND2 3.45Å; F70-N74 WeakPolarHBondContact CE2-ND2 3.48Å; F70-N74 PolarHBondContact O-N 3.39Å; F70-N74 VanDerWaalsContact O-N 3.11Å; F70-N74 PolarHBondContact O-ND2 3.1Å; F70-N74 VanDerWaalsContact O-ND2 3.11Å; F70-Y75 AromaticContact CE1-CE2 3.87Å; F70-Y75 HydrophobicContact CE1-CE2 3.87Å; F70-Y75 HydrophobicContact CZ-CE2 4.34Å; F70-D172 WeakPolarHBondContact CB-OD1 3.49Å; F70-D172 HydrophobicContact CD1-CB 3.87Å; F70-D172 WeakPolarHBondContact CD1-OD2 3.45Å; F70-D172 HydrophobicContact CE1-CB 4.2Å
71	Y	95.3	Very high	92.4	Very high	11 Å²	11	22 Å²	22	4%	0.043	11%	0.108	C	C	.	.	H	α-helix	trans	-71.4	-36	178	-70.1	-50.8	0	0	0	112.1	D68 L73 N74 Y75 W76 V170 D172 L196	D68-Y71 PolarHBondContact O-N 2.76Å; Y71-L73 PolarHBondContact O-N 3.09Å; Y71-N74 PolarHBondContact O-N 2.84Å; Y71-Y75 AromaticContact CD1-CD2 3.55Å; Y71-Y75 HydrophobicContact CD1-CD2 3.55Å; Y71-Y75 AromaticContact CD1-CE2 3.94Å; Y71-Y75 HydrophobicContact CD1-CE2 3.94Å; Y71-Y75 HydrophobicContact CD1-CG 4.18Å; Y71-Y75 HydrophobicContact CE1-CD2 4.19Å; Y71-Y75 HydrophobicContact CE1-CE2 4.15Å; Y71-Y75 CarbonylContact O-C 3.6Å; Y71-Y75 WeakPolarHBondContact O-CA 3.24Å; Y71-Y75 PolarHBondContact O-N 3.31Å; Y71-W76 PolarHBondContact O-N 3.46Å; Y71-V170 HydrophobicContact CD2-CG1 3.69Å; Y71-V170 HydrophobicContact CE2-CG1 3.79Å; Y71-D172 HydrophobicContact CE1-CB 4.31Å; Y71-D172 HydrophobicContact CE2-CB 4.05Å; Y71-D172 VanDerWaalsContact CE2-N 3.26Å; Y71-L196 HydrophobicContact CD1-CB 3.87Å; Y71-L196 HydrophobicContact CD1-CD2 3.63Å; Y71-L196 HydrophobicContact CD1-CG 4.38Å; Y71-L196 HydrophobicContact CD2-CB 4.34Å; Y71-L196 HydrophobicContact CE1-CB 3.39Å; Y71-L196 HydrophobicContact CE1-CD2 3.83Å; Y71-L196 HydrophobicContact CE1-CG 4.28Å; Y71-L196 HydrophobicContact CE2-CB 3.83Å; Y71-L196 HydrophobicContact CG-CB 4.34Å; Y71-L196 HydrophobicContact CG-CD2 4.32Å; Y71-L196 PolarHBondContact OH-N 3.42Å
72	A	94.7	Very high	92.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-62.2	-30.7	173.4	0	0	0	0	0	112.6	I67 D68 W76 V97 I110	I67-A72 HydrophobicContact CG2-CB 4.04Å; D68-A72 WeakPolarHBondContact O-CB 3.49Å; D68-A72 PolarHBondContact O-N 3.41Å; A72-W76 HydrophobicContact CB-CE3 4.21Å; A72-W76 HydrophobicContact CB-CZ3 4.46Å; A72-V97 HydrophobicContact CB-CG2 3.86Å; A72-I110 HydrophobicContact CB-CD1 4.42Å
73	L	93.3	Very high	92.2	Very high	32 Å²	32	24 Å²	24	17%	0.168	12%	0.119	C	C	.	.	H	α-helix	trans	-76.1	-48.6	177.3	177.5	60.3	0	0	0	112.4	G69 F70 Y71 F96 V97 Q100 A101 P106	G69-L73 WeakPolarHBondContact O-CB 3.24Å; G69-L73 PolarHBondContact O-N 3.16Å; F70-L73 PolarHBondContact O-N 3.24Å; Y71-L73 PolarHBondContact O-N 3.09Å; L73-F96 HydrophobicContact CD2-CE1 4.29Å; L73-V97 HydrophobicContact CB-CG2 3.98Å; L73-V97 HydrophobicContact CD1-CG1 3.97Å; L73-Q100 HydrophobicContact CD2-CB 3.87Å; L73-A101 HydrophobicContact CD1-CB 3.66Å; L73-P106 HydrophobicContact CD1-CB 4.17Å; L73-P106 HydrophobicContact CD1-CG 4.24Å
74	N	91.9	Very high	92.2	Very high	40 Å²	40	22.2 Å²	22.2	21%	0.214	11%	0.108	C	C	.	.	H	α-helix	trans	-103.2	-19.4	-163.2	-64.2	-53.5	0	0	0	114	F70 Y71 L221	F70-N74 VanDerWaalsContact CD2-ND2 3.33Å; F70-N74 WeakPolarHBondContact CD2-ND2 3.45Å; F70-N74 WeakPolarHBondContact CE2-ND2 3.48Å; F70-N74 PolarHBondContact O-N 3.39Å; F70-N74 VanDerWaalsContact O-N 3.11Å; F70-N74 PolarHBondContact O-ND2 3.1Å; F70-N74 VanDerWaalsContact O-ND2 3.11Å; Y71-N74 PolarHBondContact O-N 2.84Å; N74-L221 HydrophobicContact CB-CD1 3.74Å; N74-L221 HydrophobicContact CB-CD2 4Å
75	Y	94	Very high	92.1	Very high	8 Å²	8	27.2 Å²	27.2	3%	0.031	13%	0.13	C	C	.	.			trans	-132.3	19.5	-171	-62.9	-92	0	0	0	112.5	F70 Y71 E77 L78 F79 L196 F214 L217 D218 L221	F70-Y75 AromaticContact CE1-CE2 3.87Å; F70-Y75 HydrophobicContact CE1-CE2 3.87Å; F70-Y75 HydrophobicContact CZ-CE2 4.34Å; Y71-Y75 AromaticContact CD1-CD2 3.55Å; Y71-Y75 HydrophobicContact CD1-CD2 3.55Å; Y71-Y75 AromaticContact CD1-CE2 3.94Å; Y71-Y75 HydrophobicContact CD1-CE2 3.94Å; Y71-Y75 HydrophobicContact CD1-CG 4.18Å; Y71-Y75 HydrophobicContact CE1-CD2 4.19Å; Y71-Y75 HydrophobicContact CE1-CE2 4.15Å; Y71-Y75 CarbonylContact O-C 3.6Å; Y71-Y75 WeakPolarHBondContact O-CA 3.24Å; Y71-Y75 PolarHBondContact O-N 3.31Å; Y75-E77 PolarHBondContact O-N 3.12Å; Y75-L78 HydrophobicContact CD1-CD1 4.07Å; Y75-L78 PolarHBondContact O-N 3.3Å; Y75-F79 WeakPolarHBondContact O-CD2 3.36Å; Y75-L196 HydrophobicContact CD1-CD2 3.74Å; Y75-L196 HydrophobicContact CD2-CD2 4.22Å; Y75-L196 HydrophobicContact CE1-CD2 4.38Å; Y75-L196 HydrophobicContact CG-CD2 3.62Å; Y75-F214 AromaticContact CD1-CD2 3.95Å; Y75-F214 HydrophobicContact CD1-CD2 3.95Å; Y75-F214 HydrophobicContact CD1-CE2 4.21Å; Y75-F214 AromaticContact CE1-CD2 3.71Å; Y75-F214 HydrophobicContact CE1-CD2 3.71Å; Y75-F214 AromaticContact CE1-CE2 3.63Å; Y75-F214 HydrophobicContact CE1-CE2 3.63Å; Y75-L217 HydrophobicContact CD1-CB 4Å; Y75-L217 HydrophobicContact CD1-CD1 3.98Å; Y75-L217 HydrophobicContact CE1-CB 3.88Å; Y75-D218 HydrophobicContact CE1-CB 4.43Å; Y75-D218 PolarHBondContact OH-OD1 2.98Å; Y75-L221 HydrophobicContact CD2-CD1 4.24Å; Y75-L221 HydrophobicContact CE1-CD1 3.86Å; Y75-L221 HydrophobicContact CE2-CD1 3.51Å; Y75-L221 WeakPolarHBondContact OH-CD1 3.48Å
76	W	94	Very high	91.8	Very high	8 Å²	8	27.1 Å²	27.1	3%	0.03	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-51.8	-34.1	-179	-168.6	-107.6	0	0	0	112.9	I67 Y71 A72 L78 F79 E80 V87 V89 I110 S113	I67-W76 HydrophobicContact CD1-CE3 4.49Å; I67-W76 HydrophobicContact CD1-CH2 4.37Å; I67-W76 HydrophobicContact CD1-CZ3 3.71Å; Y71-W76 PolarHBondContact O-N 3.46Å; A72-W76 HydrophobicContact CB-CE3 4.21Å; A72-W76 HydrophobicContact CB-CZ3 4.46Å; W76-L78 PolarHBondContact O-N 2.8Å; W76-F79 HydrophobicContact CE3-CD2 4.23Å; W76-F79 PolarHBondContact O-N 3.2Å; W76-E80 PolarHBondContact O-N 3.38Å; W76-V87 HydrophobicContact CH2-CG1 4.13Å; W76-V89 HydrophobicContact CH2-CG2 3.15Å; W76-V89 HydrophobicContact CZ2-CG2 4.29Å; W76-V89 HydrophobicContact CZ3-CG2 3.41Å; W76-V89 VanDerWaalsContact CZ3-CG2 3.41Å; W76-I110 HydrophobicContact CD2-CB 4.47Å; W76-I110 HydrophobicContact CD2-CD1 4.38Å; W76-I110 HydrophobicContact CD2-CG1 3.5Å; W76-I110 HydrophobicContact CE3-CD1 4.36Å; W76-I110 HydrophobicContact CE3-CG1 3.89Å; W76-I110 HydrophobicContact CG-CG1 3.84Å; W76-I110 HydrophobicContact CH2-CG2 4.22Å; W76-I110 HydrophobicContact CZ2-CB 4.3Å; W76-I110 HydrophobicContact CZ2-CG1 4.15Å; W76-I110 HydrophobicContact CZ2-CG2 4Å; W76-I110 HydrophobicContact CZ3-CG1 4.39Å; W76-S113 PolarHBondContact NE1-OG 3.39Å
77	E	90.8	Very high	91.7	Very high	23 Å²	23	27.1 Å²	27.1	11%	0.107	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-57.6	-33.3	-178.6	-33.6	-147.9	154.8	0	0	113.7	Y75 F79 E80 R109 L213 L217 R457 H471	Y75-E77 PolarHBondContact O-N 3.12Å; E77-F79 VanDerWaalsContact C-N 3.27Å; E77-F79 PolarHBondContact O-N 3.42Å; E77-E80 PolarHBondContact O-N 3.31Å; E77-R109 VanDerWaalsContact CB-NH2 3.34Å; E77-R109 VanDerWaalsContact CD-NH2 3.27Å; E77-R109 VanDerWaalsContact CG-NH1 3.32Å; E77-R109 IonicContact OE1-CZ 3.22Å; E77-R109 IonicContact OE1-NH1 2.76Å; E77-R109 PolarHBondContact OE1-NH1 3.09Å; E77-R109 IonicContact OE1-NH2 3.23Å; E77-R109 PolarHBondContact OE1-NH2 3.27Å; E77-R109 IonicContact OE2-NH2 2.69Å; E77-R109 PolarHBondContact OE2-NH2 3.44Å; E77-L213 HydrophobicContact CB-CD2 4.24Å; E77-L217 HydrophobicContact CG-CD1 4.44Å; E77-R457 IonicContact OE1-CZ 3.4Å; E77-R457 IonicContact OE1-NH1 2.7Å; E77-R457 PolarHBondContact OE1-NH1 3.1Å; E77-R457 IonicContact OE2-CZ 3.12Å; E77-R457 IonicContact OE2-NH1 3.01Å; E77-R457 PolarHBondContact OE2-NH1 3.42Å; E77-H471 IonicContact OE1-CE1 2.78Å; E77-H471 IonicContact OE1-NE2 2.78Å; E77-H471 IonicContact OE2-CE1 3.79Å; E77-H471 IonicContact OE2-NE2 3.64Å; E77-H471 PolarHBondContact OE2-NE2 3.44Å; E77-H471 VanDerWaalsContact OE2-NE2 3.08Å
78	L	92.3	Very high	91.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-65.5	-35.9	177.3	-77.3	162.5	0	0	0	111.2	Y75 W76 E80 L81 I84 L196 A210 L213 F214	Y75-L78 HydrophobicContact CD1-CD1 4.07Å; Y75-L78 PolarHBondContact O-N 3.3Å; W76-L78 PolarHBondContact O-N 2.8Å; L78-E80 PolarHBondContact O-N 3.22Å; L78-L81 HydrophobicContact CD2-CD1 4.19Å; L78-L81 WeakPolarHBondContact O-CB 3.3Å; L78-L81 WeakPolarHBondContact O-CG 3.48Å; L78-L81 PolarHBondContact O-N 2.86Å; L78-I84 WeakPolarHBondContact O-CD1 3.42Å; L78-L196 HydrophobicContact CD1-CD2 3.79Å; L78-L196 HydrophobicContact CD1-CG 4.43Å; L78-A210 HydrophobicContact CD2-CB 3.91Å; L78-A210 WeakPolarHBondContact CD2-O 3.36Å; L78-L213 HydrophobicContact CD2-CB 3.97Å; L78-L213 HydrophobicContact CD2-CD2 3.62Å; L78-L213 HydrophobicContact CD2-CG 3.75Å; L78-L213 HydrophobicContact CG-CD2 3.88Å; L78-L213 HydrophobicContact CG-CG 4Å; L78-F214 HydrophobicContact CD1-CB 3.97Å; L78-F214 HydrophobicContact CD1-CD2 4.14Å
79	F	92.8	Very high	91.7	Very high	3 Å²	3	27 Å²	27	1%	0.013	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-82	-1.8	-178.8	-52.8	-73.4	0	0	0	113.2	I65 I67 Y75 W76 E77 I84 V87 L196	I65-F79 HydrophobicContact CG2-CE1 4.45Å; I67-F79 HydrophobicContact CD1-CB 3.97Å; I67-F79 HydrophobicContact CD1-CD1 3.37Å; I67-F79 HydrophobicContact CD1-CD2 3.55Å; I67-F79 HydrophobicContact CD1-CE1 3.59Å; I67-F79 HydrophobicContact CD1-CE2 3.76Å; I67-F79 HydrophobicContact CD1-CG 3.33Å; I67-F79 HydrophobicContact CD1-CZ 3.77Å; I67-F79 HydrophobicContact CG1-CD1 4.08Å; I67-F79 HydrophobicContact CG1-CD2 4.5Å; I67-F79 HydrophobicContact CG1-CE1 3.79Å; I67-F79 HydrophobicContact CG1-CE2 4.24Å; I67-F79 HydrophobicContact CG1-CG 4.41Å; I67-F79 HydrophobicContact CG1-CZ 3.87Å; I67-F79 HydrophobicContact CG2-CD2 4.49Å; I67-F79 HydrophobicContact CG2-CE2 3.81Å; I67-F79 HydrophobicContact CG2-CZ 3.89Å; Y75-F79 WeakPolarHBondContact O-CD2 3.36Å; W76-F79 HydrophobicContact CE3-CD2 4.23Å; W76-F79 PolarHBondContact O-N 3.2Å; E77-F79 VanDerWaalsContact C-N 3.27Å; E77-F79 PolarHBondContact O-N 3.42Å; F79-I84 HydrophobicContact CD1-CG2 4.27Å; F79-V87 HydrophobicContact CB-CG2 4.33Å; F79-V87 HydrophobicContact CD1-CG2 4.44Å; F79-L196 HydrophobicContact CE1-CD1 4.36Å; F79-L196 HydrophobicContact CZ-CD1 3.91Å
80	E	89.9	Confident	91.8	Very high	48 Å²	48	27 Å²	27	22%	0.224	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-91	-10.9	170.1	-66.3	179.4	157.1	0	0	112.8	W76 E77 L78 E82 R109 S113 Q119	W76-E80 PolarHBondContact O-N 3.38Å; E77-E80 PolarHBondContact O-N 3.31Å; L78-E80 PolarHBondContact O-N 3.22Å; E80-E82 PolarHBondContact O-N 3.06Å; E80-R109 WeakPolarHBondContact OE1-CD 3.26Å; E80-R109 WeakPolarHBondContact OE1-CG 3.43Å; E80-R109 IonicContact OE1-CZ 3.9Å; E80-R109 IonicContact OE1-NE 2.85Å; E80-R109 PolarHBondContact OE1-NE 3.33Å; E80-R109 IonicContact OE1-NH2 3.61Å; E80-R109 IonicContact OE2-CZ 2.73Å; E80-R109 IonicContact OE2-NE 3.71Å; E80-R109 PolarHBondContact OE2-NE 2.9Å; E80-R109 IonicContact OE2-NH2 3.81Å; E80-R109 PolarHBondContact OE2-NH2 2.68Å; E80-S113 PolarHBondContact OE1-OG 3.38Å; E80-Q119 PolarHBondContact O-NE2 2.84Å
81	L	88.4	Confident	91.8	Very high	22 Å²	22	25.8 Å²	25.8	12%	0.115	12%	0.124	C	C	.	.	S	Bend	trans	-63	132.3	175.9	-64.6	175.2	0	0	0	109.9	L78 D83 I84 A210 L213	L78-L81 HydrophobicContact CD2-CD1 4.19Å; L78-L81 WeakPolarHBondContact O-CB 3.3Å; L78-L81 WeakPolarHBondContact O-CG 3.48Å; L78-L81 PolarHBondContact O-N 2.86Å; L81-D83 PolarHBondContact O-N 3.12Å; L81-D83 VanDerWaalsContact O-N 3.09Å; L81-I84 HydrophobicContact CB-CG1 4.48Å; L81-I84 PolarHBondContact O-N 3.19Å; L81-A210 HydrophobicContact CD1-CB 3.79Å; L81-L213 HydrophobicContact CD1-CD2 4.47Å
82	E	80.8	Confident	91.8	Very high	125 Å²	125	25.3 Å²	25.3	58%	0.584	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-24.2	-176	-61.3	-173.8	171.2	0	0	113.4	E80 K85	E80-E82 PolarHBondContact O-N 3.06Å; E82-K85 VanDerWaalsContact O-CE 3.24Å; E82-K85 WeakPolarHBondContact O-CE 3.42Å
83	D	85.4	Confident	91.8	Very high	100 Å²	100	25.3 Å²	25.3	54%	0.535	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-29.3	176.1	-60.2	-71.2	0	0	0	113.2	L81 K85 L207	L81-D83 PolarHBondContact O-N 3.12Å; L81-D83 VanDerWaalsContact O-N 3.09Å; D83-K85 PolarHBondContact O-N 3.38Å; D83-L207 HydrophobicContact CB-CD1 4.27Å; D83-L207 HydrophobicContact CB-CD2 3.86Å; D83-L207 WeakPolarHBondContact OD2-CD1 3.39Å
84	I	89.6	Confident	91.9	Very high	3 Å²	3	23.8 Å²	23.8	2%	0.015	12%	0.115	C	C	.	.			trans	-93.5	101.4	-176.6	-56.3	-168.1	0	0	0	109.2	I65 L78 F79 L81 V87 L200 Y204 L207	I65-I84 HydrophobicContact CD1-CG2 3.58Å; L78-I84 WeakPolarHBondContact O-CD1 3.42Å; F79-I84 HydrophobicContact CD1-CG2 4.27Å; L81-I84 HydrophobicContact CB-CG1 4.48Å; L81-I84 PolarHBondContact O-N 3.19Å; I84-V87 HydrophobicContact CG2-CG2 4.25Å; I84-L200 HydrophobicContact CD1-CD2 4.19Å; I84-Y204 HydrophobicContact CG1-CE1 4.31Å; I84-Y204 HydrophobicContact CG1-CE2 4.26Å; I84-L207 HydrophobicContact CG1-CD2 4.47Å
85	K	89	Confident	91.9	Very high	105 Å²	105	22.4 Å²	22.4	46%	0.457	11%	0.107	S	C	.	.			trans	-110.3	160.1	-176.1	-62.7	-174.6	-177.1	-179.9	0	113.3	L61 I65 E82 D83 T120	L61-K85 HydrophobicContact CD1-CB 4.39Å; L61-K85 HydrophobicContact CD2-CB 3.74Å; I65-K85 WeakPolarHBondContact CD1-O 3.35Å; E82-K85 VanDerWaalsContact O-CE 3.24Å; E82-K85 WeakPolarHBondContact O-CE 3.42Å; D83-K85 PolarHBondContact O-N 3.38Å; K85-T120 WeakPolarHBondContact CA-OG1 3.11Å; K85-T120 WeakPolarHBondContact CB-OG1 3.48Å; K85-T120 WeakPolarHBondContact CG-OG1 3.44Å
86	G	90.1	Very high	91.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.108	C	C	.	.			trans	81	34.9	174.2	0	0	0	0	0	114	Y64 I65 T120	Y64-G86 WeakPolarHBondContact CA-O 3.11Å; I65-G86 PolarHBondContact N-O 2.8Å; G86-T120 PolarHBondContact N-O 3.11Å; G86-T120 PolarHBondContact N-OG1 3.36Å
87	V	94.3	Very high	91.8	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.006	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	128.4	-175	176.2	0	0	0	0	110.8	I65 I67 W76 F79 I84 V89 T120 C121 I122	I65-V87 HydrophobicContact CD1-CG2 4.35Å; I67-V87 HydrophobicContact CD1-CB 4.49Å; I67-V87 HydrophobicContact CD1-CG1 3.24Å; I67-V87 HydrophobicContact CG1-CG1 4.14Å; W76-V87 HydrophobicContact CH2-CG1 4.13Å; F79-V87 HydrophobicContact CB-CG2 4.33Å; F79-V87 HydrophobicContact CD1-CG2 4.44Å; I84-V87 HydrophobicContact CG2-CG2 4.25Å; V87-V89 HydrophobicContact CG1-CG2 4.23Å; V87-T120 PolarHBondContact N-O 3.03Å; V87-C121 HydrophobicContact CB-CB 4.17Å; V87-C121 HydrophobicContact CG1-CB 4.47Å; V87-C121 CarbonylContact O-C 3.6Å; V87-C121 VanDerWaalsContact O-CA 3.26Å; V87-C121 WeakPolarHBondContact O-CA 3.4Å; V87-I122 PolarHBondContact O-N 3.44Å
88	I	95.2	Very high	91.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	119.8	174.2	-53.2	177.9	0	0	0	107.6	L57 Y64 I65 L66 I67 I122 F124 Y157 L167	L57-I88 HydrophobicContact CD1-CD1 4.17Å; L57-I88 HydrophobicContact CD1-CG1 3.79Å; Y64-I88 HydrophobicContact CD2-CD1 3.91Å; Y64-I88 HydrophobicContact CG-CD1 4.15Å; I65-I88 PolarHBondContact O-N 2.62Å; L66-I88 WeakPolarHBondContact CA-O 3.27Å; L66-I88 HydrophobicContact CD1-CB 3.91Å; L66-I88 HydrophobicContact CD1-CG2 3.59Å; I67-I88 PolarHBondContact N-O 3.05Å; I67-I88 VanDerWaalsContact N-O 3.11Å; I88-I122 HydrophobicContact CB-CG1 4.39Å; I88-I122 HydrophobicContact CG1-CD1 4.09Å; I88-I122 HydrophobicContact CG1-CG1 3.98Å; I88-I122 HydrophobicContact CG2-CD1 4.45Å; I88-I122 HydrophobicContact CG2-CG1 4.33Å; I88-F124 HydrophobicContact CG2-CB 4.01Å; I88-Y157 HydrophobicContact CD1-CD1 4.2Å; I88-Y157 HydrophobicContact CD1-CD2 4.48Å; I88-Y157 HydrophobicContact CD1-CE1 3.88Å; I88-Y157 HydrophobicContact CD1-CE2 4.19Å; I88-Y157 HydrophobicContact CD1-CG 4.49Å; I88-Y157 HydrophobicContact CG2-CE2 4.02Å; I88-L167 HydrophobicContact CD1-CD1 4.21Å
89	V	95.5	Very high	91.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	128.7	168.5	-165.6	0	0	0	0	108.1	W76 V87 V94 I122 L123 F124	W76-V89 HydrophobicContact CH2-CG2 3.15Å; W76-V89 HydrophobicContact CZ2-CG2 4.29Å; W76-V89 HydrophobicContact CZ3-CG2 3.41Å; W76-V89 VanDerWaalsContact CZ3-CG2 3.41Å; V87-V89 HydrophobicContact CG1-CG2 4.23Å; V89-V94 HydrophobicContact CB-CG2 4.44Å; V89-V94 HydrophobicContact CG1-CG2 3.58Å; V89-I122 PolarHBondContact N-O 2.92Å; V89-L123 CarbonylContact O-C 3.57Å; V89-L123 WeakPolarHBondContact O-CA 3.42Å; V89-L123 WeakPolarHBondContact O-CD1 3.33Å; V89-F124 PolarHBondContact O-N 2.52Å
90	S	96.3	Very high	91.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	155.8	173.7	79.7	0	0	0	0	111.4	S92 S93 V94 F124 N126 N150	S90-S92 PolarHBondContact O-N 2.94Å; S90-S92 PolarHBondContact OG-N 3.38Å; S90-S93 PolarHBondContact O-N 3.49Å; S90-S93 VanDerWaalsContact O-N 3.09Å; S90-S93 PolarHBondContact OG-N 2.96Å; S90-S93 PolarHBondContact OG-OG 3.41Å; S90-V94 PolarHBondContact O-N 3.16Å; S90-F124 CarbonylContact C-O 2.92Å; S90-F124 WeakPolarHBondContact CA-O 3.14Å; S90-N126 WeakPolarHBondContact CB-OD1 3.44Å; S90-N150 WeakPolarHBondContact CB-OD1 3.31Å; S90-N150 PolarHBondContact OG-OD1 3.17Å
91	L	94.9	Very high	90.9	Very high	13 Å²	13	29.1 Å²	29.1	7%	0.068	14%	0.142	C	C	.	.	H	α-helix	trans	-58	-32.5	170	179.3	59.7	0	0	0	111.6	V94 N95 F124 D125 N126 E127 F128	L91-V94 PolarHBondContact O-N 3.48Å; L91-N95 VanDerWaalsContact O-CB 3.28Å; L91-N95 WeakPolarHBondContact O-CB 3.46Å; L91-N95 PolarHBondContact O-N 2.95Å; L91-N95 PolarHBondContact O-ND2 3.04Å; L91-F124 PolarHBondContact N-O 2.85Å; L91-D125 HydrophobicContact CD2-CB 4.47Å; L91-N126 PolarHBondContact N-OD1 3.23Å; L91-N126 VanDerWaalsContact N-OD1 3.15Å; L91-E127 HydrophobicContact CB-CG 4.42Å; L91-E127 HydrophobicContact CD2-CB 4.08Å; L91-E127 HydrophobicContact CD2-CG 4.35Å; L91-E127 HydrophobicContact CG-CG 4.31Å; L91-F128 HydrophobicContact CD2-CD2 3.81Å; L91-F128 HydrophobicContact CD2-CE2 3.48Å; L91-F128 VanDerWaalsContact CD2-CE2 3.48Å; L91-F128 HydrophobicContact CD2-CZ 4.14Å
92	S	94.2	Very high	90.3	Very high	1 Å²	1	33 Å²	33	1%	0.007	17%	0.171	C	C	.	.	H	α-helix	trans	-63.3	-42.6	172.4	-61.6	0	0	0	0	113.5	S90 N95 F96 N126 E127	S90-S92 PolarHBondContact O-N 2.94Å; S90-S92 PolarHBondContact OG-N 3.38Å; S92-N95 PolarHBondContact O-N 3.25Å; S92-F96 WeakPolarHBondContact O-CB 3.33Å; S92-F96 PolarHBondContact O-N 2.96Å; S92-N126 PolarHBondContact N-OD1 2.92Å; S92-N126 VanDerWaalsContact N-OD1 3.1Å; S92-N126 PolarHBondContact OG-ND2 3.2Å; S92-N126 PolarHBondContact OG-OD1 3.49Å; S92-E127 WeakPolarHBondContact CA-OE1 3.32Å; S92-E127 WeakPolarHBondContact OG-CG 3.47Å; S92-E127 PolarHBondContact OG-OE1 2.95Å
93	S	96.1	Very high	90.1	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-65.3	-43.6	174.6	-65.3	0	0	0	0	111.2	I67 G69 S90 N95 F96 V97 N150	I67-S93 PolarHBondContact O-OG 3.18Å; G69-S93 PolarHBondContact N-OG 3.14Å; S90-S93 PolarHBondContact O-N 3.49Å; S90-S93 VanDerWaalsContact O-N 3.09Å; S90-S93 PolarHBondContact OG-N 2.96Å; S90-S93 PolarHBondContact OG-OG 3.41Å; S93-N95 PolarHBondContact O-N 3.02Å; S93-F96 WeakPolarHBondContact O-CB 3.29Å; S93-F96 PolarHBondContact O-N 2.86Å; S93-V97 VanDerWaalsContact O-CG2 3.3Å; S93-V97 WeakPolarHBondContact O-CG2 3.43Å; S93-V97 PolarHBondContact O-N 3.37Å; S93-N150 PolarHBondContact OG-ND2 3.24Å; S93-N150 PolarHBondContact OG-OD1 3.09Å
94	V	94.8	Very high	90	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.5	-43.2	176.8	174.6	0	0	0	0	111.8	V89 S90 L91 F96 V97 Q98 Y107 I110 L123	V89-V94 HydrophobicContact CB-CG2 4.44Å; V89-V94 HydrophobicContact CG1-CG2 3.58Å; S90-V94 PolarHBondContact O-N 3.16Å; L91-V94 PolarHBondContact O-N 3.48Å; V94-F96 VanDerWaalsContact C-N 3.35Å; V94-V97 PolarHBondContact O-N 3.36Å; V94-Q98 WeakPolarHBondContact O-CB 3.32Å; V94-Q98 PolarHBondContact O-N 2.98Å; V94-Y107 HydrophobicContact CG1-CD2 3.67Å; V94-Y107 HydrophobicContact CG1-CE2 3.37Å; V94-I110 HydrophobicContact CG2-CG2 4.21Å; V94-L123 HydrophobicContact CG2-CD1 3.73Å
95	N	91.7	Very high	89.7	Confident	11 Å²	11	39.7 Å²	39.7	6%	0.059	20%	0.196	C	C	.	.	H	α-helix	trans	-64.1	-40.9	175.9	-77.6	-30.6	0	0	0	111.4	L91 S92 S93 Q98 Q99 E127	L91-N95 VanDerWaalsContact O-CB 3.28Å; L91-N95 WeakPolarHBondContact O-CB 3.46Å; L91-N95 PolarHBondContact O-N 2.95Å; L91-N95 PolarHBondContact O-ND2 3.04Å; S92-N95 PolarHBondContact O-N 3.25Å; S93-N95 PolarHBondContact O-N 3.02Å; N95-Q98 PolarHBondContact O-N 2.85Å; N95-Q99 WeakPolarHBondContact O-CB 3.45Å; N95-Q99 WeakPolarHBondContact O-CG 3.26Å; N95-Q99 PolarHBondContact O-N 2.93Å; N95-E127 VanDerWaalsContact ND2-CD 3.33Å; N95-E127 PolarHBondContact ND2-OE1 3.41Å; N95-E127 VanDerWaalsContact ND2-OE1 3.14Å; N95-E127 PolarHBondContact ND2-OE2 2.92Å; N95-E127 VanDerWaalsContact ND2-OE2 3.13Å
96	F	92.7	Very high	89.7	Confident	13 Å²	13	36.1 Å²	36.1	6%	0.057	18%	0.184	C	C	.	.	H	α-helix	trans	-57.7	-49.4	173.9	179.2	-84.7	0	0	0	110.8	G69 L73 S92 S93 V94 Q98 Q99 Q100 L142 K143 T146	G69-F96 VanDerWaalsContact C-CE1 3.48Å; G69-F96 VanDerWaalsContact O-CD1 3.31Å; G69-F96 WeakPolarHBondContact O-CD1 3.3Å; L73-F96 HydrophobicContact CD2-CE1 4.29Å; S92-F96 WeakPolarHBondContact O-CB 3.33Å; S92-F96 PolarHBondContact O-N 2.96Å; S93-F96 WeakPolarHBondContact O-CB 3.29Å; S93-F96 PolarHBondContact O-N 2.86Å; V94-F96 VanDerWaalsContact C-N 3.35Å; F96-Q98 VanDerWaalsContact C-N 3.33Å; F96-Q98 PolarHBondContact O-N 2.61Å; F96-Q99 PolarHBondContact O-N 2.73Å; F96-Q99 VanDerWaalsContact O-N 3.14Å; F96-Q100 HydrophobicContact CD1-CB 4.45Å; F96-Q100 HydrophobicContact CD1-CG 4.12Å; F96-Q100 HydrophobicContact CD2-CG 4.1Å; F96-Q100 HydrophobicContact CE1-CB 4.17Å; F96-Q100 HydrophobicContact CE1-CG 3.85Å; F96-Q100 HydrophobicContact CE2-CG 3.82Å; F96-Q100 HydrophobicContact CG-CG 4.24Å; F96-Q100 HydrophobicContact CZ-CB 4.43Å; F96-Q100 HydrophobicContact CZ-CG 3.7Å; F96-Q100 WeakPolarHBondContact O-CB 3.22Å; F96-Q100 WeakPolarHBondContact O-CG 3.17Å; F96-Q100 PolarHBondContact O-N 3.38Å; F96-L142 HydrophobicContact CD2-CD2 3.94Å; F96-L142 HydrophobicContact CD2-CG 3.9Å; F96-L142 HydrophobicContact CE2-CD2 4.26Å; F96-L142 HydrophobicContact CE2-CG 4.25Å; F96-K143 HydrophobicContact CE2-CB 4.28Å; F96-T146 HydrophobicContact CB-CG2 3.94Å; F96-T146 HydrophobicContact CD2-CG2 4.29Å; F96-T146 HydrophobicContact CG-CG2 4.28Å
97	V	92.5	Very high	89.7	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-58	-46.2	176.6	173.5	0	0	0	0	110.9	A72 L73 S93 V94 Q99 A101 P106 I110	A72-V97 HydrophobicContact CB-CG2 3.86Å; L73-V97 HydrophobicContact CB-CG2 3.98Å; L73-V97 HydrophobicContact CD1-CG1 3.97Å; S93-V97 VanDerWaalsContact O-CG2 3.3Å; S93-V97 WeakPolarHBondContact O-CG2 3.43Å; S93-V97 PolarHBondContact O-N 3.37Å; V94-V97 PolarHBondContact O-N 3.36Å; V97-Q99 VanDerWaalsContact C-N 3.26Å; V97-Q99 PolarHBondContact O-N 3.25Å; V97-A101 WeakPolarHBondContact O-CB 3.45Å; V97-A101 PolarHBondContact O-N 2.82Å; V97-P106 HydrophobicContact CG1-CB 3.74Å; V97-I110 HydrophobicContact CB-CD1 4.12Å; V97-I110 HydrophobicContact CG1-CD1 3.84Å; V97-I110 HydrophobicContact CG2-CD1 3.8Å
98	Q	88.8	Confident	89.5	Confident	90 Å²	90	45.3 Å²	45.3	42%	0.421	22%	0.223	S	C	.	.	H	α-helix	trans	-62.2	-33.1	179	-170.2	180	17.2	0	0	113.1	V94 N95 F96 Y107	V94-Q98 WeakPolarHBondContact O-CB 3.32Å; V94-Q98 PolarHBondContact O-N 2.98Å; N95-Q98 PolarHBondContact O-N 2.85Å; F96-Q98 VanDerWaalsContact C-N 3.33Å; F96-Q98 PolarHBondContact O-N 2.61Å; Q98-Y107 HydrophobicContact CB-CD2 3.87Å; Q98-Y107 HydrophobicContact CB-CE2 4.39Å; Q98-Y107 HydrophobicContact CG-CD2 4.2Å
99	Q	86.2	Confident	89.2	Confident	23 Å²	23	47.6 Å²	47.6	11%	0.107	23%	0.231	C	C	.	.	H	α-helix	trans	-86.5	-34	-176.6	-71.1	168.3	9.8	0	0	113	N95 F96 V97 L142	N95-Q99 WeakPolarHBondContact O-CB 3.45Å; N95-Q99 WeakPolarHBondContact O-CG 3.26Å; N95-Q99 PolarHBondContact O-N 2.93Å; F96-Q99 PolarHBondContact O-N 2.73Å; F96-Q99 VanDerWaalsContact O-N 3.14Å; V97-Q99 VanDerWaalsContact C-N 3.26Å; V97-Q99 PolarHBondContact O-N 3.25Å; Q99-L142 HydrophobicContact CB-CD2 4.34Å
100	Q	88	Confident	89.1	Confident	90 Å²	90	47.6 Å²	47.6	42%	0.421	23%	0.231	S	C	.	.	H	α-helix	trans	-95.1	-24.8	-175.9	-64.2	-57.5	-57.5	0	0	113.3	L73 F96 S102 L142	L73-Q100 HydrophobicContact CD2-CB 3.87Å; F96-Q100 HydrophobicContact CD1-CB 4.45Å; F96-Q100 HydrophobicContact CD1-CG 4.12Å; F96-Q100 HydrophobicContact CD2-CG 4.1Å; F96-Q100 HydrophobicContact CE1-CB 4.17Å; F96-Q100 HydrophobicContact CE1-CG 3.85Å; F96-Q100 HydrophobicContact CE2-CG 3.82Å; F96-Q100 HydrophobicContact CG-CG 4.24Å; F96-Q100 HydrophobicContact CZ-CB 4.43Å; F96-Q100 HydrophobicContact CZ-CG 3.7Å; F96-Q100 WeakPolarHBondContact O-CB 3.22Å; F96-Q100 WeakPolarHBondContact O-CG 3.17Å; F96-Q100 PolarHBondContact O-N 3.38Å; Q100-S102 PolarHBondContact O-N 3.48Å; Q100-L142 HydrophobicContact CG-CD2 4.02Å
101	A	84.6	Confident	88.9	Confident	15 Å²	15	51.3 Å²	51.3	12%	0.124	25%	0.245	C	C	.	.			trans	-67.8	133.8	176.7	0	0	0	0	0	111.3	L73 V97 T103 P106	L73-A101 HydrophobicContact CD1-CB 3.66Å; V97-A101 WeakPolarHBondContact O-CB 3.45Å; V97-A101 PolarHBondContact O-N 2.82Å; A101-T103 VanDerWaalsContact CB-O 3.22Å; A101-T103 WeakPolarHBondContact CB-O 3.45Å; A101-T103 PolarHBondContact O-N 2.88Å; A101-P106 HydrophobicContact CB-CB 4.49Å; A101-P106 HydrophobicContact CB-CG 4.03Å
102	S	75.1	Confident	88.6	Confident	104 Å²	104	54 Å²	54	73%	0.727	27%	0.266	S	S	*	.	S	Bend	trans	-64.3	-27.9	172.4	56.3	0	0	0	0	112.7	Q100	Q100-S102 PolarHBondContact O-N 3.48Å
103	T	77.6	Confident	88.3	Confident	82 Å²	82	54.3 Å²	54.3	50%	0.503	27%	0.267	S	S	.	.	S	Bend	trans	-127.5	160.9	179.6	72.1	0	0	0	0	111.3	A101 R105 P106	A101-T103 VanDerWaalsContact CB-O 3.22Å; A101-T103 WeakPolarHBondContact CB-O 3.45Å; A101-T103 PolarHBondContact O-N 2.88Å; T103-R105 PolarHBondContact O-N 3.3Å; T103-R105 PolarHBondContact OG1-N 2.94Å; T103-P106 WeakPolarHBondContact O-CD 3.22Å
104	K	82.3	Confident	87.8	Confident	157 Å²	157	55.5 Å²	55.5	68%	0.683	27%	0.274	S	S	*	.	S	Bend	trans	-73.5	-1.7	174.7	-65.5	-174.7	179.5	-179.4	0	113.7	K108	K104-K108 WeakPolarHBondContact O-CB 3.45Å; K104-K108 WeakPolarHBondContact O-CG 3.33Å; K104-K108 PolarHBondContact O-N 3.05Å
105	R	84.5	Confident	87.1	Confident	129 Å²	129	62.8 Å²	62.8	49%	0.487	31%	0.308	S	S	.	.	H	α-helix	trans	-63.9	-49.2	-172.7	-179	-178.7	179.7	174.2	2.5	112.8	T103 Y107 K108 R109	T103-R105 PolarHBondContact O-N 3.3Å; T103-R105 PolarHBondContact OG1-N 2.94Å; R105-Y107 VanDerWaalsContact C-N 3.34Å; R105-Y107 PolarHBondContact O-N 2.87Å; R105-K108 PolarHBondContact O-N 2.83Å; R105-R109 WeakPolarHBondContact O-CB 3.23Å; R105-R109 PolarHBondContact O-N 3.33Å
106	P	87.8	Confident	86.4	Confident	29 Å²	29	63.7 Å²	63.7	19%	0.188	31%	0.312	C	S	.	.	H	α-helix	trans	-60	-43.8	178.5	-24.9	36.5	0	0	0	112.3	L73 V97 A101 T103 K108 R109 I110	L73-P106 HydrophobicContact CD1-CB 4.17Å; L73-P106 HydrophobicContact CD1-CG 4.24Å; V97-P106 HydrophobicContact CG1-CB 3.74Å; A101-P106 HydrophobicContact CB-CB 4.49Å; A101-P106 HydrophobicContact CB-CG 4.03Å; T103-P106 WeakPolarHBondContact O-CD 3.22Å; P106-K108 PolarHBondContact O-N 2.86Å; P106-R109 WeakPolarHBondContact O-CB 3.36Å; P106-R109 PolarHBondContact O-N 2.66Å; P106-I110 WeakPolarHBondContact O-CG1 3.35Å; P106-I110 PolarHBondContact O-N 3.45Å
107	Y	90.3	Very high	85.4	Confident	50 Å²	50	64.2 Å²	64.2	20%	0.196	32%	0.32	C	S	.	.	H	α-helix	trans	-59.2	-47	175.4	174.4	-89.6	0	0	0	112.5	V94 Q98 R105 R109 I110 R111	V94-Y107 HydrophobicContact CG1-CD2 3.67Å; V94-Y107 HydrophobicContact CG1-CE2 3.37Å; Q98-Y107 HydrophobicContact CB-CD2 3.87Å; Q98-Y107 HydrophobicContact CB-CE2 4.39Å; Q98-Y107 HydrophobicContact CG-CD2 4.2Å; R105-Y107 VanDerWaalsContact C-N 3.34Å; R105-Y107 PolarHBondContact O-N 2.87Å; Y107-R109 VanDerWaalsContact C-N 3.29Å; Y107-R109 PolarHBondContact O-N 3.29Å; Y107-I110 PolarHBondContact O-N 2.9Å; Y107-R111 HydrophobicContact CD1-CG 4.23Å; Y107-R111 HydrophobicContact CE1-CG 3.76Å; Y107-R111 HydrophobicContact CE2-CG 4.47Å; Y107-R111 WeakPolarHBondContact O-CG 3.33Å; Y107-R111 PolarHBondContact O-N 3.34Å; Y107-R111 PolarHBondContact OH-NE 2.86Å; Y107-R111 PolarHBondContact OH-NH2 3.48Å
108	K	89.7	Confident	84.5	Confident	144 Å²	144	66.1 Å²	66.1	63%	0.626	33%	0.333	S	S	*	.	H	α-helix	trans	-63.2	-36.6	177.8	-77.6	-176.2	174.3	-168.6	0	112	K104 R105 P106 R111 S112	K104-K108 WeakPolarHBondContact O-CB 3.45Å; K104-K108 WeakPolarHBondContact O-CG 3.33Å; K104-K108 PolarHBondContact O-N 3.05Å; R105-K108 PolarHBondContact O-N 2.83Å; P106-K108 PolarHBondContact O-N 2.86Å; K108-R111 PolarHBondContact O-N 2.96Å; K108-S112 PolarHBondContact O-N 3.41Å
109	R	90.3	Very high	84.1	Confident	48 Å²	48	62.8 Å²	62.8	18%	0.181	32%	0.317	C	S	.	.	H	α-helix	trans	-64.4	-49.5	177.4	-171.6	-179.5	-177.4	168.2	0.1	111.4	E77 E80 R105 P106 Y107 R111 S112 S113 R457	E77-R109 VanDerWaalsContact CB-NH2 3.34Å; E77-R109 VanDerWaalsContact CD-NH2 3.27Å; E77-R109 VanDerWaalsContact CG-NH1 3.32Å; E77-R109 IonicContact OE1-CZ 3.22Å; E77-R109 IonicContact OE1-NH1 2.76Å; E77-R109 PolarHBondContact OE1-NH1 3.09Å; E77-R109 IonicContact OE1-NH2 3.23Å; E77-R109 PolarHBondContact OE1-NH2 3.27Å; E77-R109 IonicContact OE2-NH2 2.69Å; E77-R109 PolarHBondContact OE2-NH2 3.44Å; E80-R109 WeakPolarHBondContact OE1-CD 3.26Å; E80-R109 WeakPolarHBondContact OE1-CG 3.43Å; E80-R109 IonicContact OE1-CZ 3.9Å; E80-R109 IonicContact OE1-NE 2.85Å; E80-R109 PolarHBondContact OE1-NE 3.33Å; E80-R109 IonicContact OE1-NH2 3.61Å; E80-R109 IonicContact OE2-CZ 2.73Å; E80-R109 IonicContact OE2-NE 3.71Å; E80-R109 PolarHBondContact OE2-NE 2.9Å; E80-R109 IonicContact OE2-NH2 3.81Å; E80-R109 PolarHBondContact OE2-NH2 2.68Å; R105-R109 WeakPolarHBondContact O-CB 3.23Å; R105-R109 PolarHBondContact O-N 3.33Å; P106-R109 WeakPolarHBondContact O-CB 3.36Å; P106-R109 PolarHBondContact O-N 2.66Å; Y107-R109 VanDerWaalsContact C-N 3.29Å; Y107-R109 PolarHBondContact O-N 3.29Å; R109-R111 VanDerWaalsContact C-N 3.28Å; R109-R111 PolarHBondContact O-N 2.92Å; R109-S112 WeakPolarHBondContact O-CB 3.25Å; R109-S112 PolarHBondContact O-N 3.39Å; R109-S112 VanDerWaalsContact O-N 3.08Å; R109-S113 PolarHBondContact O-N 3.16Å; R109-S113 PolarHBondContact O-OG 3.01Å; R109-R457 VanDerWaalsContact NH2-NH1 3.14Å
110	I	93.6	Very high	83.9	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-55.7	-45.5	173.5	-63.1	166.4	0	0	0	110.7	A72 W76 V94 V97 P106 Y107 S112 S113 L114	A72-I110 HydrophobicContact CB-CD1 4.42Å; W76-I110 HydrophobicContact CD2-CB 4.47Å; W76-I110 HydrophobicContact CD2-CD1 4.38Å; W76-I110 HydrophobicContact CD2-CG1 3.5Å; W76-I110 HydrophobicContact CE3-CD1 4.36Å; W76-I110 HydrophobicContact CE3-CG1 3.89Å; W76-I110 HydrophobicContact CG-CG1 3.84Å; W76-I110 HydrophobicContact CH2-CG2 4.22Å; W76-I110 HydrophobicContact CZ2-CB 4.3Å; W76-I110 HydrophobicContact CZ2-CG1 4.15Å; W76-I110 HydrophobicContact CZ2-CG2 4Å; W76-I110 HydrophobicContact CZ3-CG1 4.39Å; V94-I110 HydrophobicContact CG2-CG2 4.21Å; V97-I110 HydrophobicContact CB-CD1 4.12Å; V97-I110 HydrophobicContact CG1-CD1 3.84Å; V97-I110 HydrophobicContact CG2-CD1 3.8Å; P106-I110 WeakPolarHBondContact O-CG1 3.35Å; P106-I110 PolarHBondContact O-N 3.45Å; Y107-I110 PolarHBondContact O-N 2.9Å; I110-S112 VanDerWaalsContact C-N 3.33Å; I110-S112 PolarHBondContact O-N 2.94Å; I110-S113 PolarHBondContact O-N 2.76Å; I110-L114 HydrophobicContact CG2-CD1 4.02Å; I110-L114 HydrophobicContact CG2-CG 4.42Å; I110-L114 VanDerWaalsContact O-CG 3.28Å; I110-L114 WeakPolarHBondContact O-CG 3.34Å; I110-L114 PolarHBondContact O-N 3.49Å
111	R	91.2	Very high	84	Confident	78 Å²	78	59.3 Å²	59.3	29%	0.294	30%	0.304	S	S	.	.	H	α-helix	trans	-60.5	-41.9	177.2	-72.9	-67.4	-173.6	169	-0.2	112.5	Y107 K108 R109 S113 L114 E115	Y107-R111 HydrophobicContact CD1-CG 4.23Å; Y107-R111 HydrophobicContact CE1-CG 3.76Å; Y107-R111 HydrophobicContact CE2-CG 4.47Å; Y107-R111 WeakPolarHBondContact O-CG 3.33Å; Y107-R111 PolarHBondContact O-N 3.34Å; Y107-R111 PolarHBondContact OH-NE 2.86Å; Y107-R111 PolarHBondContact OH-NH2 3.48Å; K108-R111 PolarHBondContact O-N 2.96Å; R109-R111 VanDerWaalsContact C-N 3.28Å; R109-R111 PolarHBondContact O-N 2.92Å; R111-S113 VanDerWaalsContact C-N 3.34Å; R111-S113 PolarHBondContact O-N 3.06Å; R111-L114 WeakPolarHBondContact O-CB 3.37Å; R111-L114 PolarHBondContact O-N 2.85Å; R111-L114 VanDerWaalsContact O-N 3.16Å; R111-E115 WeakPolarHBondContact O-CG 3.31Å; R111-E115 PolarHBondContact O-N 3.01Å; R111-E115 VanDerWaalsContact O-N 3.1Å
112	S	87.7	Confident	84.3	Confident	71 Å²	71	58.8 Å²	58.8	50%	0.497	30%	0.299	S	S	.	.	H	α-helix	trans	-62.2	-40.6	175.6	-167.3	0	0	0	0	111.8	K108 R109 I110 L114 E115 D116	K108-S112 PolarHBondContact O-N 3.41Å; R109-S112 WeakPolarHBondContact O-CB 3.25Å; R109-S112 PolarHBondContact O-N 3.39Å; R109-S112 VanDerWaalsContact O-N 3.08Å; I110-S112 VanDerWaalsContact C-N 3.33Å; I110-S112 PolarHBondContact O-N 2.94Å; S112-L114 VanDerWaalsContact C-N 3.29Å; S112-L114 PolarHBondContact O-N 2.87Å; S112-E115 PolarHBondContact O-N 3.3Å; S112-D116 WeakPolarHBondContact O-CB 3.42Å; S112-D116 PolarHBondContact O-N 3.18Å; S112-D116 VanDerWaalsContact O-N 3.1Å
113	S	88.1	Confident	85.2	Confident	6 Å²	6	54.6 Å²	54.6	4%	0.042	27%	0.268	C	S	.	.	H	α-helix	trans	-66.3	-30.7	175.1	-48.3	0	0	0	0	112.7	W76 E80 R109 I110 R111 Q119	W76-S113 PolarHBondContact NE1-OG 3.39Å; E80-S113 PolarHBondContact OE1-OG 3.38Å; R109-S113 PolarHBondContact O-N 3.16Å; R109-S113 PolarHBondContact O-OG 3.01Å; I110-S113 PolarHBondContact O-N 2.76Å; R111-S113 VanDerWaalsContact C-N 3.34Å; R111-S113 PolarHBondContact O-N 3.06Å; S113-Q119 WeakPolarHBondContact O-CB 3.42Å
114	L	86.8	Confident	86	Confident	26 Å²	26	50.7 Å²	50.7	14%	0.136	25%	0.245	C	C	.	.	H	α-helix	trans	-75.3	-24.4	176.8	-69.5	168.9	0	0	0	113.3	I110 R111 S112 L123	I110-L114 HydrophobicContact CG2-CD1 4.02Å; I110-L114 HydrophobicContact CG2-CG 4.42Å; I110-L114 VanDerWaalsContact O-CG 3.28Å; I110-L114 WeakPolarHBondContact O-CG 3.34Å; I110-L114 PolarHBondContact O-N 3.49Å; R111-L114 WeakPolarHBondContact O-CB 3.37Å; R111-L114 PolarHBondContact O-N 2.85Å; R111-L114 VanDerWaalsContact O-N 3.16Å; S112-L114 VanDerWaalsContact C-N 3.29Å; S112-L114 PolarHBondContact O-N 2.87Å; L114-L123 HydrophobicContact CD1-CB 3.93Å; L114-L123 HydrophobicContact CD1-CD2 4.47Å; L114-L123 HydrophobicContact CD2-CB 3.93Å; L114-L123 VanDerWaalsContact CD2-N 3.34Å
115	E	78.9	Confident	86.5	Confident	152 Å²	152	45.3 Å²	45.3	71%	0.71	22%	0.223	S	C	*	.	H	α-helix	trans	-88.3	-16.5	175.3	-70.2	169.7	-170.9	0	0	112	R111 S112 A117	R111-E115 WeakPolarHBondContact O-CG 3.31Å; R111-E115 PolarHBondContact O-N 3.01Å; R111-E115 VanDerWaalsContact O-N 3.1Å; S112-E115 PolarHBondContact O-N 3.3Å; E115-A117 PolarHBondContact O-N 3.22Å
116	D	77.9	Confident	86.9	Confident	30 Å²	30	39.2 Å²	39.2	16%	0.16	20%	0.2	C	C	.	.			trans	-86.6	107.8	-176.9	-173.8	-13.4	0	0	0	111.4	S112 S118 Q119 R498	S112-D116 WeakPolarHBondContact O-CB 3.42Å; S112-D116 PolarHBondContact O-N 3.18Å; S112-D116 VanDerWaalsContact O-N 3.1Å; D116-S118 PolarHBondContact O-N 3.42Å; D116-S118 VanDerWaalsContact O-N 3.08Å; D116-S118 WeakPolarHBondContact OD1-CB 3.49Å; D116-S118 PolarHBondContact OD1-N 3.01Å; D116-S118 PolarHBondContact OD1-OG 2.85Å; D116-S118 PolarHBondContact OD2-OG 2.84Å; D116-Q119 HydrophobicContact CB-CB 4.3Å; D116-Q119 HydrophobicContact CB-CG 4.01Å; D116-Q119 WeakPolarHBondContact O-CB 3.46Å; D116-Q119 PolarHBondContact O-N 2.81Å; D116-R498 IonicContact OD1-NH1 2.73Å; D116-R498 IonicContact OD2-CZ 3.74Å; D116-R498 IonicContact OD2-NH1 2.63Å; D116-R498 PolarHBondContact OD2-NH1 3.41Å
117	A	70.5	Confident	87.1	Confident	25 Å²	25	38.2 Å²	38.2	21%	0.207	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-20.7	178.9	0	0	0	0	0	114.4	H55 E115 Q119 Y598	H55-A117 WeakPolarHBondContact CE1-CB 3.49Å; E115-A117 PolarHBondContact O-N 3.22Å; A117-Q119 VanDerWaalsContact C-N 3.34Å; A117-Y598 HydrophobicContact CB-CD1 4.4Å
118	S	74.5	Confident	87.2	Confident	40 Å²	40	39.9 Å²	39.9	28%	0.28	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-23.1	176.5	68.7	0	0	0	0	112.8	D116 R498 T501	D116-S118 PolarHBondContact O-N 3.42Å; D116-S118 VanDerWaalsContact O-N 3.08Å; D116-S118 WeakPolarHBondContact OD1-CB 3.49Å; D116-S118 PolarHBondContact OD1-N 3.01Å; D116-S118 PolarHBondContact OD1-OG 2.85Å; D116-S118 PolarHBondContact OD2-OG 2.84Å; S118-R498 PolarHBondContact OG-NH1 2.88Å; S118-T501 VanDerWaalsContact CA-CG2 3.45Å; S118-T501 VanDerWaalsContact CB-CG2 3.42Å
119	Q	79.7	Confident	87.3	Confident	19 Å²	19	33 Å²	33	9%	0.089	17%	0.172	C	C	.	.	S	Bend	trans	-86.4	120.9	175.5	-64.6	-69.6	-28.9	0	0	108.3	E80 S113 D116 A117 C121	E80-Q119 PolarHBondContact O-NE2 2.84Å; S113-Q119 WeakPolarHBondContact O-CB 3.42Å; D116-Q119 HydrophobicContact CB-CB 4.3Å; D116-Q119 HydrophobicContact CB-CG 4.01Å; D116-Q119 WeakPolarHBondContact O-CB 3.46Å; D116-Q119 PolarHBondContact O-N 2.81Å; A117-Q119 VanDerWaalsContact C-N 3.34Å; Q119-C121 HydrophobicContact CB-CB 4.37Å; Q119-C121 PolarHBondContact O-N 2.79Å
120	T	83.6	Confident	87.2	Confident	33 Å²	33	36.1 Å²	36.1	20%	0.202	18%	0.183	C	C	.	.			trans	-81.8	60.7	175.6	55.9	0	0	0	0	110.1	L57 P58 K85 G86 V87	L57-T120 VanDerWaalsContact CD2-O 3.27Å; L57-T120 WeakPolarHBondContact CD2-O 3.3Å; P58-T120 HydrophobicContact CG-CG2 4.46Å; K85-T120 WeakPolarHBondContact CA-OG1 3.11Å; K85-T120 WeakPolarHBondContact CB-OG1 3.48Å; K85-T120 WeakPolarHBondContact CG-OG1 3.44Å; G86-T120 PolarHBondContact N-O 3.11Å; G86-T120 PolarHBondContact N-OG1 3.36Å; V87-T120 PolarHBondContact N-O 3.03Å
121	C	89.3	Confident	87	Confident	7 Å²	7	38.9 Å²	38.9	5%	0.047	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	132.7	-174.1	-176	0	0	0	0	110.7	V87 Q119	V87-C121 HydrophobicContact CB-CB 4.17Å; V87-C121 HydrophobicContact CG1-CB 4.47Å; V87-C121 CarbonylContact O-C 3.6Å; V87-C121 VanDerWaalsContact O-CA 3.26Å; V87-C121 WeakPolarHBondContact O-CA 3.4Å; Q119-C121 HydrophobicContact CB-CB 4.37Å; Q119-C121 PolarHBondContact O-N 2.79Å
122	I	91.5	Very high	87.1	Confident	4 Å²	4	35.1 Å²	35.1	2%	0.021	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	151.7	178.2	60.7	160.5	0	0	0	112.3	C40 R41 L57 V87 I88 V89	C40-I122 WeakPolarHBondContact O-CD1 3.18Å; R41-I122 HydrophobicContact CB-CB 4.42Å; R41-I122 HydrophobicContact CB-CD1 3.84Å; R41-I122 HydrophobicContact CB-CG2 4.2Å; L57-I122 HydrophobicContact CD1-CD1 3.82Å; L57-I122 HydrophobicContact CD1-CG1 3.92Å; L57-I122 HydrophobicContact CD2-CG1 4.24Å; L57-I122 HydrophobicContact CD2-CG2 3.9Å; L57-I122 HydrophobicContact CG-CD1 3.89Å; L57-I122 HydrophobicContact CG-CG1 3.87Å; L57-I122 HydrophobicContact CG-CG2 3.88Å; V87-I122 PolarHBondContact O-N 3.44Å; I88-I122 HydrophobicContact CB-CG1 4.39Å; I88-I122 HydrophobicContact CG1-CD1 4.09Å; I88-I122 HydrophobicContact CG1-CG1 3.98Å; I88-I122 HydrophobicContact CG2-CD1 4.45Å; I88-I122 HydrophobicContact CG2-CG1 4.33Å; V89-I122 PolarHBondContact N-O 2.92Å
123	L	92.8	Very high	87.2	Confident	17 Å²	17	32.2 Å²	32.2	9%	0.089	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	125.6	169.5	179.5	63.2	0	0	0	109.2	V89 V94 L114	V89-L123 CarbonylContact O-C 3.57Å; V89-L123 WeakPolarHBondContact O-CA 3.42Å; V89-L123 WeakPolarHBondContact O-CD1 3.33Å; V94-L123 HydrophobicContact CG2-CD1 3.73Å; L114-L123 HydrophobicContact CD1-CB 3.93Å; L114-L123 HydrophobicContact CD1-CD2 4.47Å; L114-L123 HydrophobicContact CD2-CB 3.93Å; L114-L123 VanDerWaalsContact CD2-N 3.34Å
124	F	94.5	Very high	87.3	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	117.3	170.9	-179.1	-121.1	0	0	0	111	I38 I88 V89 S90 L91 N126 N129 A153 W156 Y157	I38-F124 HydrophobicContact CG2-CD2 4.31Å; I38-F124 HydrophobicContact CG2-CE2 3.9Å; I88-F124 HydrophobicContact CG2-CB 4.01Å; V89-F124 PolarHBondContact O-N 2.52Å; S90-F124 CarbonylContact C-O 2.92Å; S90-F124 WeakPolarHBondContact CA-O 3.14Å; L91-F124 PolarHBondContact N-O 2.85Å; F124-N126 HydrophobicContact CD1-CB 3.61Å; F124-N126 HydrophobicContact CE1-CB 3.59Å; F124-N126 PolarHBondContact O-N 2.79Å; F124-N129 HydrophobicContact CZ-CB 4.31Å; F124-A153 HydrophobicContact CD1-CB 4.21Å; F124-A153 HydrophobicContact CE1-CB 4.04Å; F124-W156 HydrophobicContact CD2-CZ3 4.32Å; F124-W156 AromaticContact CE1-CE3 3.95Å; F124-W156 HydrophobicContact CE1-CE3 3.95Å; F124-W156 HydrophobicContact CE1-CZ3 4.14Å; F124-W156 HydrophobicContact CE2-CE3 4.04Å; F124-W156 AromaticContact CE2-CH2 3.67Å; F124-W156 HydrophobicContact CE2-CH2 3.67Å; F124-W156 AromaticContact CE2-CZ3 3.4Å; F124-W156 HydrophobicContact CE2-CZ3 3.4Å; F124-W156 VanDerWaalsContact CE2-CZ3 3.4Å; F124-W156 HydrophobicContact CZ-CD2 4.01Å; F124-W156 AromaticContact CZ-CE3 3.42Å; F124-W156 HydrophobicContact CZ-CE3 3.42Å; F124-W156 VanDerWaalsContact CZ-CE3 3.42Å; F124-W156 AromaticContact CZ-CH2 3.77Å; F124-W156 HydrophobicContact CZ-CH2 3.77Å; F124-W156 HydrophobicContact CZ-CZ2 4.33Å; F124-W156 AromaticContact CZ-CZ3 3.29Å; F124-W156 HydrophobicContact CZ-CZ3 3.29Å; F124-Y157 HydrophobicContact CB-CE2 4.04Å; F124-Y157 WeakPolarHBondContact CB-OH 3.31Å; F124-Y157 HydrophobicContact CD1-CD2 4.36Å; F124-Y157 AromaticContact CD1-CE2 3.52Å; F124-Y157 HydrophobicContact CD1-CE2 3.52Å; F124-Y157 AromaticContact CD2-CE2 3.98Å; F124-Y157 HydrophobicContact CD2-CE2 3.98Å; F124-Y157 AromaticContact CD2-CZ 3.97Å; F124-Y157 WeakPolarHBondContact CD2-OH 3.34Å; F124-Y157 HydrophobicContact CE1-CD2 4.44Å; F124-Y157 AromaticContact CE1-CE2 3.9Å; F124-Y157 HydrophobicContact CE1-CE2 3.9Å; F124-Y157 HydrophobicContact CE2-CE2 4.33Å; F124-Y157 AromaticContact CG-CE2 3.57Å; F124-Y157 HydrophobicContact CG-CE2 3.57Å; F124-Y157 AromaticContact CG-CZ 3.91Å; F124-Y157 WeakPolarHBondContact CG-OH 3.48Å; F124-Y157 HydrophobicContact CZ-CE2 4.3Å
125	D	92.4	Very high	87.2	Confident	44 Å²	44	38.5 Å²	38.5	24%	0.235	20%	0.197	C	C	.	.			trans	-77.2	56.7	-178.8	-68.1	-49.4	0	0	0	112.8	I38 L91 E127 F128 N129	I38-D125 HydrophobicContact CG2-CB 4.01Å; L91-D125 HydrophobicContact CD2-CB 4.47Å; D125-E127 PolarHBondContact O-N 3.27Å; D125-E127 VanDerWaalsContact O-N 3.12Å; D125-F128 HydrophobicContact CB-CD2 4.05Å; D125-F128 PolarHBondContact O-N 3.26Å; D125-N129 PolarHBondContact O-N 3.37Å
126	N	94.3	Very high	87.5	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-29.5	-176.4	69.9	-45.8	0	0	0	113.4	S90 L91 S92 F124 F128 N129 C132 A153	S90-N126 WeakPolarHBondContact CB-OD1 3.44Å; L91-N126 PolarHBondContact N-OD1 3.23Å; L91-N126 VanDerWaalsContact N-OD1 3.15Å; S92-N126 PolarHBondContact N-OD1 2.92Å; S92-N126 VanDerWaalsContact N-OD1 3.1Å; S92-N126 PolarHBondContact OG-ND2 3.2Å; S92-N126 PolarHBondContact OG-OD1 3.49Å; F124-N126 HydrophobicContact CD1-CB 3.61Å; F124-N126 HydrophobicContact CE1-CB 3.59Å; F124-N126 PolarHBondContact O-N 2.79Å; N126-F128 VanDerWaalsContact C-N 3.32Å; N126-F128 PolarHBondContact O-N 2.77Å; N126-N129 PolarHBondContact O-N 3.3Å; N126-C132 HydrophobicContact CB-CB 4.14Å; N126-C132 VanDerWaalsContact O-CB 3.26Å; N126-C132 WeakPolarHBondContact O-CB 3.35Å; N126-A153 HydrophobicContact CB-CB 4.01Å
127	E	92.1	Very high	87.9	Confident	9 Å²	9	37.3 Å²	37.3	4%	0.042	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-22.9	178.9	-55.6	-169.4	176.1	0	0	113.7	K14 V32 L91 S92 N95 D125 F133 M149	K14-E127 IonicContact NZ-OE1 2.8Å; K14-E127 PolarHBondContact NZ-OE1 3.33Å; K14-E127 IonicContact NZ-OE2 3.42Å; K14-E127 PolarHBondContact NZ-OE2 3.39Å; V32-E127 VanDerWaalsContact CG1-O 3.29Å; V32-E127 WeakPolarHBondContact CG1-O 3.31Å; L91-E127 HydrophobicContact CB-CG 4.42Å; L91-E127 HydrophobicContact CD2-CB 4.08Å; L91-E127 HydrophobicContact CD2-CG 4.35Å; L91-E127 HydrophobicContact CG-CG 4.31Å; S92-E127 WeakPolarHBondContact CA-OE1 3.32Å; S92-E127 WeakPolarHBondContact OG-CG 3.47Å; S92-E127 PolarHBondContact OG-OE1 2.95Å; N95-E127 VanDerWaalsContact ND2-CD 3.33Å; N95-E127 PolarHBondContact ND2-OE1 3.41Å; N95-E127 VanDerWaalsContact ND2-OE1 3.14Å; N95-E127 PolarHBondContact ND2-OE2 2.92Å; N95-E127 VanDerWaalsContact ND2-OE2 3.13Å; D125-E127 PolarHBondContact O-N 3.27Å; D125-E127 VanDerWaalsContact O-N 3.12Å; E127-F133 HydrophobicContact CB-CD2 4.37Å; E127-F133 WeakPolarHBondContact O-CD2 3.39Å; E127-M149 HydrophobicContact CG-CE 4.17Å
128	F	91.3	Very high	88.2	Confident	84 Å²	84	40.8 Å²	40.8	37%	0.368	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-12	174.1	-60	-51.9	0	0	0	112.1	V32 L34 R35 I38 L91 D125 N126 R130	V32-F128 HydrophobicContact CG1-CD1 3.68Å; V32-F128 HydrophobicContact CG1-CE1 3.96Å; L34-F128 CarbonylContact C-O 3.56Å; L34-F128 WeakPolarHBondContact CA-O 3.4Å; R35-F128 PolarHBondContact N-O 2.94Å; I38-F128 HydrophobicContact CD1-CB 4.06Å; I38-F128 HydrophobicContact CG1-CB 4.49Å; L91-F128 HydrophobicContact CD2-CD2 3.81Å; L91-F128 HydrophobicContact CD2-CE2 3.48Å; L91-F128 VanDerWaalsContact CD2-CE2 3.48Å; L91-F128 HydrophobicContact CD2-CZ 4.14Å; D125-F128 HydrophobicContact CB-CD2 4.05Å; D125-F128 PolarHBondContact O-N 3.26Å; N126-F128 VanDerWaalsContact C-N 3.32Å; N126-F128 PolarHBondContact O-N 2.77Å; F128-R130 PolarHBondContact O-N 3.38Å
129	N	91.3	Very high	88.4	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.005	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-78.8	119.8	177.2	-177	-63.1	0	0	0	110.5	R35 I38 F124 D125 N126 S131 C132 F133	R35-N129 CarbonylContact O-C 3.48Å; R35-N129 WeakPolarHBondContact O-CA 3.48Å; I38-N129 HydrophobicContact CB-CB 4.2Å; I38-N129 HydrophobicContact CG1-CB 4.02Å; F124-N129 HydrophobicContact CZ-CB 4.31Å; D125-N129 PolarHBondContact O-N 3.37Å; N126-N129 PolarHBondContact O-N 3.3Å; N129-S131 VanDerWaalsContact C-N 3.27Å; N129-S131 PolarHBondContact O-N 3.48Å; N129-S131 WeakPolarHBondContact OD1-CA 3.2Å; N129-S131 WeakPolarHBondContact OD1-CB 3.22Å; N129-S131 PolarHBondContact OD1-N 3.09Å; N129-C132 HydrophobicContact CB-CB 4Å; N129-C132 PolarHBondContact O-N 3.36Å; N129-C132 PolarHBondContact OD1-N 3.49Å; N129-C132 VanDerWaalsContact OD1-N 3.16Å; N129-C132 PolarHBondContact OD1-SG 3.13Å; N129-C132 VanDerWaalsContact OD1-SG 3.41Å; N129-F133 PolarHBondContact O-N 2.7Å
130	R	89.5	Confident	88.7	Confident	112 Å²	112	47 Å²	47	42%	0.423	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-38.3	-177.9	-174.5	178.6	64.9	177.9	2	112.9	L34 R35 D36 F128 C132	L34-R130 HydrophobicContact CB-CB 4.09Å; L34-R130 HydrophobicContact CB-CG 4.37Å; R35-R130 PolarHBondContact O-N 2.9Å; D36-R130 IonicContact OD1-CZ 2.7Å; D36-R130 IonicContact OD1-NE 2.77Å; D36-R130 PolarHBondContact OD1-NE 3.05Å; D36-R130 IonicContact OD1-NH2 2.62Å; D36-R130 PolarHBondContact OD1-NH2 3.1Å; D36-R130 IonicContact OD2-CZ 2.85Å; D36-R130 IonicContact OD2-NE 3.64Å; D36-R130 PolarHBondContact OD2-NE 3.31Å; D36-R130 IonicContact OD2-NH1 2.61Å; D36-R130 PolarHBondContact OD2-NH1 3.26Å; D36-R130 IonicContact OD2-NH2 3.53Å; D36-R130 PolarHBondContact OD2-NH2 2.9Å; F128-R130 PolarHBondContact O-N 3.38Å; R130-C132 VanDerWaalsContact C-N 3.3Å; R130-C132 PolarHBondContact O-N 3.26Å
131	S	88.9	Confident	88.9	Confident	58 Å²	58	50.2 Å²	50.2	41%	0.406	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-29.8	179.5	-61.9	0	0	0	0	112	N129 R134	N129-S131 VanDerWaalsContact C-N 3.27Å; N129-S131 PolarHBondContact O-N 3.48Å; N129-S131 WeakPolarHBondContact OD1-CA 3.2Å; N129-S131 WeakPolarHBondContact OD1-CB 3.22Å; N129-S131 PolarHBondContact OD1-N 3.09Å; S131-R134 PolarHBondContact O-NH1 3.12Å; S131-R134 PolarHBondContact O-NH2 3.12Å; S131-R134 VanDerWaalsContact O-NH2 3.08Å
132	C	92.6	Very high	88.8	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-35.4	-174.7	-59.4	0	0	0	0	114	N126 N129 R130 R134 W156	N126-C132 HydrophobicContact CB-CB 4.14Å; N126-C132 VanDerWaalsContact O-CB 3.26Å; N126-C132 WeakPolarHBondContact O-CB 3.35Å; N129-C132 HydrophobicContact CB-CB 4Å; N129-C132 PolarHBondContact O-N 3.36Å; N129-C132 PolarHBondContact OD1-N 3.49Å; N129-C132 VanDerWaalsContact OD1-N 3.16Å; N129-C132 PolarHBondContact OD1-SG 3.13Å; N129-C132 VanDerWaalsContact OD1-SG 3.41Å; R130-C132 VanDerWaalsContact C-N 3.3Å; R130-C132 PolarHBondContact O-N 3.26Å; C132-R134 PolarHBondContact O-N 3.02Å; C132-W156 VanDerWaalsContact SG-CG 3.56Å
133	F	91.4	Very high	88.7	Confident	10 Å²	10	54 Å²	54	4%	0.044	28%	0.283	C	S	.	.			trans	-64	129.9	-173.4	179.7	-94.2	0	0	0	112.2	S12 K14 V32 L34 E127 N129 M149	S12-F133 WeakPolarHBondContact OG-CE1 3.4Å; K14-F133 HydrophobicContact CB-CE2 4.21Å; K14-F133 HydrophobicContact CB-CZ 4.18Å; K14-F133 HydrophobicContact CD-CE2 4.48Å; K14-F133 HydrophobicContact CG-CE2 4.34Å; V32-F133 HydrophobicContact CB-CE2 4.45Å; V32-F133 HydrophobicContact CG1-CD2 4.33Å; V32-F133 HydrophobicContact CG1-CE2 4.26Å; V32-F133 HydrophobicContact CG2-CE2 4.26Å; L34-F133 HydrophobicContact CD1-CB 4.43Å; L34-F133 HydrophobicContact CD1-CD1 4.02Å; L34-F133 HydrophobicContact CD1-CG 4.48Å; L34-F133 HydrophobicContact CD2-CB 3.5Å; L34-F133 VanDerWaalsContact CD2-CB 3.5Å; L34-F133 HydrophobicContact CD2-CD1 3.87Å; L34-F133 HydrophobicContact CD2-CD2 4.21Å; L34-F133 HydrophobicContact CD2-CG 3.58Å; E127-F133 HydrophobicContact CB-CD2 4.37Å; E127-F133 WeakPolarHBondContact O-CD2 3.39Å; N129-F133 PolarHBondContact O-N 2.7Å; F133-M149 HydrophobicContact CD2-CE 4.31Å
134	R	89.1	Confident	88.7	Confident	92 Å²	92	54.9 Å²	54.9	35%	0.347	29%	0.287	S	S	.	.			trans	-134.6	137.6	168.9	-60.7	-66.7	178.9	-82.1	-6.5	108.8	S131 C132 Y145 M149 V152	S131-R134 PolarHBondContact O-NH1 3.12Å; S131-R134 PolarHBondContact O-NH2 3.12Å; S131-R134 VanDerWaalsContact O-NH2 3.08Å; C132-R134 PolarHBondContact O-N 3.02Å; R134-Y145 VanDerWaalsContact O-CE2 3.29Å; R134-Y145 WeakPolarHBondContact O-CE2 2.95Å; R134-Y145 PolarHBondContact O-OH 3.1Å; R134-M149 HydrophobicContact CB-SD 3.95Å; R134-M149 PolarHBondContact N-SD 3.48Å; R134-M149 VanDerWaalsContact N-SD 3.36Å; R134-M149 VanDerWaalsContact O-SD 3.37Å; R134-V152 HydrophobicContact CG-CG2 4.46Å
135	P	85.6	Confident	88.5	Confident	71 Å²	71	55.1 Å²	55.1	46%	0.461	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-67	154.3	171.4	29	-33.7	0	0	0	110.5	R148	P135-R148 PolarHBondContact O-NH2 3.32Å
136	P	84	Confident	88.6	Confident	39 Å²	39	53.2 Å²	53.2	25%	0.253	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-66.8	146.3	172.4	25.1	-29.8	0	0	0	111.3	T15 E140 Y145	T15-P136 VanDerWaalsContact O-CG 3.3Å; T15-P136 WeakPolarHBondContact O-CG 3.48Å; P136-E140 WeakPolarHBondContact CA-OE2 3.37Å; P136-Y145 HydrophobicContact CB-CD2 3.72Å; P136-Y145 HydrophobicContact CB-CE2 3.91Å; P136-Y145 HydrophobicContact CB-CG 4.11Å; P136-Y145 HydrophobicContact CG-CE2 4.43Å
137	F	86.3	Confident	88.6	Confident	118 Å²	118	53.2 Å²	53.2	52%	0.518	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-74.2	160.6	170.9	-56.1	-61.9	0	0	0	111	D139 E140	F137-D139 PolarHBondContact O-N 3.14Å; F137-E140 HydrophobicContact CB-CB 4.04Å; F137-E140 PolarHBondContact N-OE2 2.98Å; F137-E140 PolarHBondContact O-N 2.67Å
138	A	77.1	Confident	88.6	Confident	98 Å²	98	53 Å²	53	81%	0.81	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-32.5	-169.4	0	0	0	0	0	114.5
139	D	79.9	Confident	88.8	Confident	160 Å²	160	49 Å²	49	86%	0.856	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.9	22.6	-178	-60	-51.3	0	0	0	112.7	F137 I141	F137-D139 PolarHBondContact O-N 3.14Å; D139-I141 PolarHBondContact O-N 3.27Å
140	E	85.9	Confident	89	Confident	30 Å²	30	49 Å²	49	14%	0.14	26%	0.259	C	S	.	.			trans	-77.3	123.8	179	-169.1	175.4	-155.8	0	0	110.8	P136 F137 D144 Y145 R148 Y176	P136-E140 WeakPolarHBondContact CA-OE2 3.37Å; F137-E140 HydrophobicContact CB-CB 4.04Å; F137-E140 PolarHBondContact N-OE2 2.98Å; F137-E140 PolarHBondContact O-N 2.67Å; E140-D144 HydrophobicContact CG-CB 3.97Å; E140-Y145 VanDerWaalsContact CD-CA 3.48Å; E140-Y145 WeakPolarHBondContact OE1-CA 3.49Å; E140-Y145 PolarHBondContact OE1-N 2.8Å; E140-R148 IonicContact OE1-CZ 3.58Å; E140-R148 IonicContact OE1-NE 2.76Å; E140-R148 PolarHBondContact OE1-NE 3.44Å; E140-R148 IonicContact OE1-NH2 3.67Å; E140-R148 IonicContact OE2-CZ 3.5Å; E140-R148 IonicContact OE2-NE 3.45Å; E140-R148 PolarHBondContact OE2-NE 2.95Å; E140-R148 IonicContact OE2-NH2 2.73Å; E140-R148 PolarHBondContact OE2-NH2 3.29Å; E140-Y176 PolarHBondContact OE1-OH 2.93Å
141	I	87	Confident	89.1	Confident	101 Å²	101	44.3 Å²	44.3	52%	0.518	24%	0.242	S	C	.	.			trans	-68.6	151	174.1	58.6	168.7	0	0	0	110.4	D139 K143 D144 Y145	D139-I141 PolarHBondContact O-N 3.27Å; I141-K143 HydrophobicContact CD1-CB 4.36Å; I141-K143 PolarHBondContact O-N 2.83Å; I141-K143 VanDerWaalsContact O-N 3.14Å; I141-D144 HydrophobicContact CG1-CB 3.81Å; I141-D144 WeakPolarHBondContact CG1-OD2 3.29Å; I141-D144 PolarHBondContact O-N 2.97Å; I141-D144 VanDerWaalsContact O-N 3.12Å; I141-Y145 PolarHBondContact O-N 2.93Å
142	L	86.5	Confident	89.3	Confident	28 Å²	28	42.1 Å²	42.1	15%	0.147	23%	0.226	C	C	.	.	H	α-helix	trans	-56.7	-36.7	-174.5	-175.2	69	0	0	0	113	I16 F96 Q99 Q100 Y145 T146	I16-L142 HydrophobicContact CG2-CD1 3.8Å; F96-L142 HydrophobicContact CD2-CD2 3.94Å; F96-L142 HydrophobicContact CD2-CG 3.9Å; F96-L142 HydrophobicContact CE2-CD2 4.26Å; F96-L142 HydrophobicContact CE2-CG 4.25Å; Q99-L142 HydrophobicContact CB-CD2 4.34Å; Q100-L142 HydrophobicContact CG-CD2 4.02Å; L142-Y145 HydrophobicContact CD1-CD1 4.34Å; L142-Y145 PolarHBondContact O-N 2.86Å; L142-T146 WeakPolarHBondContact O-CB 3.37Å; L142-T146 PolarHBondContact O-N 2.8Å; L142-T146 PolarHBondContact O-OG1 2.81Å
143	K	90.1	Very high	89.4	Confident	63 Å²	63	42.1 Å²	42.1	27%	0.274	23%	0.226	S	C	.	.	H	α-helix	trans	-59.2	-55.7	176.5	-174.8	-176.4	-179.7	-174	0	110.9	F96 I141 Y145 T146 T147 D172	F96-K143 HydrophobicContact CE2-CB 4.28Å; I141-K143 HydrophobicContact CD1-CB 4.36Å; I141-K143 PolarHBondContact O-N 2.83Å; I141-K143 VanDerWaalsContact O-N 3.14Å; K143-Y145 VanDerWaalsContact C-N 3.3Å; K143-Y145 PolarHBondContact O-N 2.87Å; K143-T146 PolarHBondContact O-N 2.82Å; K143-T147 PolarHBondContact O-N 3.1Å; K143-T147 PolarHBondContact O-OG1 3.24Å; K143-T147 VanDerWaalsContact O-OG1 3.06Å; K143-D172 VanDerWaalsContact CE-OD1 3.24Å; K143-D172 WeakPolarHBondContact CE-OD1 3.45Å; K143-D172 VanDerWaalsContact CE-OD2 3.24Å; K143-D172 WeakPolarHBondContact CE-OD2 3.37Å; K143-D172 IonicContact NZ-OD1 2.71Å; K143-D172 IonicContact NZ-OD2 3.91Å; K143-D172 PolarHBondContact NZ-OD2 3Å
144	D	92.9	Very high	89.4	Confident	35 Å²	35	41.7 Å²	41.7	19%	0.187	22%	0.224	C	C	.	.	H	α-helix	trans	-59.8	-41.7	179.6	-66.5	-6.9	0	0	0	111.5	E140 I141 T146 T147 R148 N173 Y176	E140-D144 HydrophobicContact CG-CB 3.97Å; I141-D144 HydrophobicContact CG1-CB 3.81Å; I141-D144 WeakPolarHBondContact CG1-OD2 3.29Å; I141-D144 PolarHBondContact O-N 2.97Å; I141-D144 VanDerWaalsContact O-N 3.12Å; D144-T146 PolarHBondContact O-N 3.16Å; D144-T147 PolarHBondContact O-N 2.92Å; D144-R148 WeakPolarHBondContact O-CB 3.22Å; D144-R148 PolarHBondContact O-N 2.84Å; D144-N173 PolarHBondContact OD1-ND2 3.32Å; D144-Y176 HydrophobicContact CB-CD1 4.22Å; D144-Y176 HydrophobicContact CB-CD2 4.23Å; D144-Y176 HydrophobicContact CB-CE1 3.89Å; D144-Y176 HydrophobicContact CB-CE2 3.94Å; D144-Y176 HydrophobicContact CB-CG 4.37Å; D144-Y176 VanDerWaalsContact O-CE1 3.22Å; D144-Y176 WeakPolarHBondContact O-CE1 3.41Å
145	Y	91.5	Very high	89.5	Confident	4 Å²	4	37.9 Å²	37.9	2%	0.016	21%	0.211	C	C	.	.	H	α-helix	trans	-58.5	-49.4	174.8	175.1	-114.9	0	0	0	112.5	K14 R134 P136 E140 I141 L142 K143 R148 M149	K14-Y145 WeakPolarHBondContact CE-OH 3.41Å; R134-Y145 VanDerWaalsContact O-CE2 3.29Å; R134-Y145 WeakPolarHBondContact O-CE2 2.95Å; R134-Y145 PolarHBondContact O-OH 3.1Å; P136-Y145 HydrophobicContact CB-CD2 3.72Å; P136-Y145 HydrophobicContact CB-CE2 3.91Å; P136-Y145 HydrophobicContact CB-CG 4.11Å; P136-Y145 HydrophobicContact CG-CE2 4.43Å; E140-Y145 VanDerWaalsContact CD-CA 3.48Å; E140-Y145 WeakPolarHBondContact OE1-CA 3.49Å; E140-Y145 PolarHBondContact OE1-N 2.8Å; I141-Y145 PolarHBondContact O-N 2.93Å; L142-Y145 HydrophobicContact CD1-CD1 4.34Å; L142-Y145 PolarHBondContact O-N 2.86Å; K143-Y145 VanDerWaalsContact C-N 3.3Å; K143-Y145 PolarHBondContact O-N 2.87Å; Y145-R148 WeakPolarHBondContact O-CB 3.47Å; Y145-R148 PolarHBondContact O-N 3.4Å; Y145-M149 HydrophobicContact CD2-CG 4.16Å; Y145-M149 HydrophobicContact CE1-CG 4.17Å; Y145-M149 HydrophobicContact CE2-CG 3.64Å; Y145-M149 HydrophobicContact CE2-SD 4Å; Y145-M149 WeakPolarHBondContact O-CG 3.29Å; Y145-M149 PolarHBondContact O-N 3.44Å
146	T	92.6	Very high	89.8	Confident	4 Å²	4	36.2 Å²	36.2	3%	0.025	20%	0.195	C	C	.	.	H	α-helix	trans	-64	-44.9	178.6	-67.4	0	0	0	0	111.2	F96 L142 K143 D144 R148 M149 N150	F96-T146 HydrophobicContact CB-CG2 3.94Å; F96-T146 HydrophobicContact CD2-CG2 4.29Å; F96-T146 HydrophobicContact CG-CG2 4.28Å; L142-T146 WeakPolarHBondContact O-CB 3.37Å; L142-T146 PolarHBondContact O-N 2.8Å; L142-T146 PolarHBondContact O-OG1 2.81Å; K143-T146 PolarHBondContact O-N 2.82Å; D144-T146 PolarHBondContact O-N 3.16Å; T146-R148 VanDerWaalsContact C-N 3.31Å; T146-R148 PolarHBondContact O-N 2.94Å; T146-M149 PolarHBondContact O-N 3.46Å; T146-N150 WeakPolarHBondContact O-CB 3.31Å; T146-N150 PolarHBondContact O-N 3.4Å; T146-N150 PolarHBondContact O-ND2 2.86Å
147	T	94.7	Very high	90.1	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	18%	0.183	C	C	.	.	H	α-helix	trans	-57.3	-44	174.9	-57.8	0	0	0	0	110.9	D68 K143 D144 N150 W151 F169 N173 Y176 V177	D68-T147 WeakPolarHBondContact OD2-CB 3.44Å; D68-T147 PolarHBondContact OD2-OG1 3.28Å; K143-T147 PolarHBondContact O-N 3.1Å; K143-T147 PolarHBondContact O-OG1 3.24Å; K143-T147 VanDerWaalsContact O-OG1 3.06Å; D144-T147 PolarHBondContact O-N 2.92Å; T147-N150 PolarHBondContact O-N 3.18Å; T147-W151 WeakPolarHBondContact O-CB 3.38Å; T147-W151 PolarHBondContact O-N 3.4Å; T147-F169 HydrophobicContact CG2-CE1 4.22Å; T147-F169 HydrophobicContact CG2-CZ 4.08Å; T147-N173 HydrophobicContact CG2-CB 4.08Å; T147-Y176 HydrophobicContact CG2-CD1 4.22Å; T147-V177 HydrophobicContact CG2-CG2 3.57Å
148	R	93.6	Very high	90.2	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.015	16%	0.162	C	C	.	.	H	α-helix	trans	-61.1	-48.8	176.8	-165.6	164.5	51.8	80.7	-7.3	112	P135 E140 D144 Y145 T146 N150 W151 V152 Y176 Y180	P135-R148 PolarHBondContact O-NH2 3.32Å; E140-R148 IonicContact OE1-CZ 3.58Å; E140-R148 IonicContact OE1-NE 2.76Å; E140-R148 PolarHBondContact OE1-NE 3.44Å; E140-R148 IonicContact OE1-NH2 3.67Å; E140-R148 IonicContact OE2-CZ 3.5Å; E140-R148 IonicContact OE2-NE 3.45Å; E140-R148 PolarHBondContact OE2-NE 2.95Å; E140-R148 IonicContact OE2-NH2 2.73Å; E140-R148 PolarHBondContact OE2-NH2 3.29Å; D144-R148 WeakPolarHBondContact O-CB 3.22Å; D144-R148 PolarHBondContact O-N 2.84Å; Y145-R148 WeakPolarHBondContact O-CB 3.47Å; Y145-R148 PolarHBondContact O-N 3.4Å; T146-R148 VanDerWaalsContact C-N 3.31Å; T146-R148 PolarHBondContact O-N 2.94Å; R148-N150 VanDerWaalsContact C-N 3.27Å; R148-N150 PolarHBondContact O-N 2.83Å; R148-W151 PolarHBondContact O-N 3.02Å; R148-V152 WeakPolarHBondContact O-CG2 3.35Å; R148-V152 PolarHBondContact O-N 3.2Å; R148-Y176 HydrophobicContact CB-CE1 4Å; R148-Y180 HydrophobicContact CG-CD1 4.03Å; R148-Y180 HydrophobicContact CG-CD2 4.46Å; R148-Y180 HydrophobicContact CG-CE1 3.67Å; R148-Y180 HydrophobicContact CG-CE2 4.18Å; R148-Y180 HydrophobicContact CG-CG 4.4Å
149	M	93.8	Very high	90.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.3	-38.6	178.8	-73.2	-66.5	-64.9	0	0	111.8	E127 F133 R134 Y145 T146 A153	E127-M149 HydrophobicContact CG-CE 4.17Å; F133-M149 HydrophobicContact CD2-CE 4.31Å; R134-M149 HydrophobicContact CB-SD 3.95Å; R134-M149 PolarHBondContact N-SD 3.48Å; R134-M149 VanDerWaalsContact N-SD 3.36Å; R134-M149 VanDerWaalsContact O-SD 3.37Å; Y145-M149 HydrophobicContact CD2-CG 4.16Å; Y145-M149 HydrophobicContact CE1-CG 4.17Å; Y145-M149 HydrophobicContact CE2-CG 3.64Å; Y145-M149 HydrophobicContact CE2-SD 4Å; Y145-M149 WeakPolarHBondContact O-CG 3.29Å; Y145-M149 PolarHBondContact O-N 3.44Å; T146-M149 PolarHBondContact O-N 3.46Å; M149-A153 WeakPolarHBondContact O-CB 3.39Å; M149-A153 PolarHBondContact O-N 3.2Å
150	N	95.1	Very high	91.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-68.5	-42.5	174.9	-77.6	-33.5	0	0	0	112.4	L66 D68 S90 S93 T146 T147 R148 V152 A153 A154 F169	L66-N150 HydrophobicContact CD2-CB 4.13Å; L66-N150 WeakPolarHBondContact CD2-O 3.46Å; D68-N150 PolarHBondContact OD1-ND2 3.5Å; S90-N150 WeakPolarHBondContact CB-OD1 3.31Å; S90-N150 PolarHBondContact OG-OD1 3.17Å; S93-N150 PolarHBondContact OG-ND2 3.24Å; S93-N150 PolarHBondContact OG-OD1 3.09Å; T146-N150 WeakPolarHBondContact O-CB 3.31Å; T146-N150 PolarHBondContact O-N 3.4Å; T146-N150 PolarHBondContact O-ND2 2.86Å; T147-N150 PolarHBondContact O-N 3.18Å; R148-N150 VanDerWaalsContact C-N 3.27Å; R148-N150 PolarHBondContact O-N 2.83Å; N150-V152 VanDerWaalsContact C-N 3.33Å; N150-V152 PolarHBondContact O-N 2.91Å; N150-A153 CarbonylContact O-C 3.59Å; N150-A153 WeakPolarHBondContact O-CB 3.35Å; N150-A153 PolarHBondContact O-N 3.43Å; N150-A154 WeakPolarHBondContact O-CB 3.43Å; N150-A154 PolarHBondContact O-N 3.46Å; N150-F169 HydrophobicContact CB-CD2 4.47Å; N150-F169 HydrophobicContact CB-CE2 3.54Å; N150-F169 HydrophobicContact CB-CZ 3.64Å
151	W	93.1	Very high	91.3	Very high	14 Å²	14	23.5 Å²	23.5	5%	0.053	12%	0.116	C	C	.	.	H	α-helix	trans	-61.6	-40.3	175.1	178.1	89.9	0	0	0	112.3	T147 R148 A154 N155 F169 V177 Y180 T184 T186	T147-W151 WeakPolarHBondContact O-CB 3.38Å; T147-W151 PolarHBondContact O-N 3.4Å; R148-W151 PolarHBondContact O-N 3.02Å; W151-A154 WeakPolarHBondContact O-CB 3.02Å; W151-A154 PolarHBondContact O-N 2.87Å; W151-N155 VanDerWaalsContact CH2-ND2 3.31Å; W151-N155 WeakPolarHBondContact CH2-ND2 3.45Å; W151-N155 WeakPolarHBondContact CZ2-ND2 3.32Å; W151-N155 WeakPolarHBondContact CZ3-ND2 3.3Å; W151-N155 PolarHBondContact O-N 2.97Å; W151-N155 VanDerWaalsContact O-N 3.09Å; W151-N155 PolarHBondContact O-ND2 3.31Å; W151-F169 HydrophobicContact CB-CE1 4.08Å; W151-V177 VanDerWaalsContact CD1-CG1 3.41Å; W151-V177 HydrophobicContact CG-CG1 4.38Å; W151-Y180 AromaticContact CD2-CD1 3.89Å; W151-Y180 HydrophobicContact CD2-CD1 3.89Å; W151-Y180 HydrophobicContact CD2-CE1 4.19Å; W151-Y180 AromaticContact CE3-CD1 3.5Å; W151-Y180 HydrophobicContact CE3-CD1 3.5Å; W151-Y180 AromaticContact CE3-CE1 3.32Å; W151-Y180 HydrophobicContact CE3-CE1 3.32Å; W151-Y180 HydrophobicContact CH2-CD1 4.02Å; W151-Y180 AromaticContact CH2-CE1 3.96Å; W151-Y180 HydrophobicContact CH2-CE1 3.96Å; W151-Y180 HydrophobicContact CZ2-CD1 4.36Å; W151-Y180 AromaticContact CZ3-CD1 3.61Å; W151-Y180 HydrophobicContact CZ3-CD1 3.61Å; W151-Y180 AromaticContact CZ3-CE1 3.22Å; W151-Y180 HydrophobicContact CZ3-CE1 3.22Å; W151-T184 HydrophobicContact CH2-CG2 4.23Å; W151-T184 WeakPolarHBondContact CH2-OG1 3.26Å; W151-T186 HydrophobicContact CH2-CG2 4.28Å; W151-T186 WeakPolarHBondContact CH2-OG1 3.21Å; W151-T186 WeakPolarHBondContact CZ2-OG1 3.36Å
152	V	92.7	Very high	91.1	Very high	13 Å²	13	26 Å²	26	8%	0.079	12%	0.123	C	C	.	.	H	α-helix	trans	-64.5	-43.5	174.8	179.1	0	0	0	0	110.3	R134 R148 N150 A154 N155 W156 Y180	R134-V152 HydrophobicContact CG-CG2 4.46Å; R148-V152 WeakPolarHBondContact O-CG2 3.35Å; R148-V152 PolarHBondContact O-N 3.2Å; N150-V152 VanDerWaalsContact C-N 3.33Å; N150-V152 PolarHBondContact O-N 2.91Å; V152-A154 VanDerWaalsContact C-N 3.31Å; V152-A154 PolarHBondContact O-N 2.73Å; V152-N155 PolarHBondContact O-N 3.41Å; V152-W156 PolarHBondContact O-N 3.23Å; V152-Y180 HydrophobicContact CG2-CE1 4.36Å
153	A	93.6	Very high	90.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61.6	-38.8	175.6	0	0	0	0	0	112.1	L66 F124 N126 M149 N150 W156 Y157	L66-A153 HydrophobicContact CD2-CB 4.49Å; F124-A153 HydrophobicContact CD1-CB 4.21Å; F124-A153 HydrophobicContact CE1-CB 4.04Å; N126-A153 HydrophobicContact CB-CB 4.01Å; M149-A153 WeakPolarHBondContact O-CB 3.39Å; M149-A153 PolarHBondContact O-N 3.2Å; N150-A153 CarbonylContact O-C 3.59Å; N150-A153 WeakPolarHBondContact O-CB 3.35Å; N150-A153 PolarHBondContact O-N 3.43Å; A153-W156 WeakPolarHBondContact O-CB 3.38Å; A153-W156 PolarHBondContact O-N 3.31Å; A153-Y157 WeakPolarHBondContact O-CD2 3.31Å; A153-Y157 PolarHBondContact O-N 3.11Å
154	A	92.3	Very high	90.1	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.9	-47.7	177.7	0	0	0	0	0	111.9	L66 N150 W151 V152 W156 Y157 I158 L167 F169 L191	L66-A154 HydrophobicContact CD2-CB 3.73Å; N150-A154 WeakPolarHBondContact O-CB 3.43Å; N150-A154 PolarHBondContact O-N 3.46Å; W151-A154 WeakPolarHBondContact O-CB 3.02Å; W151-A154 PolarHBondContact O-N 2.87Å; V152-A154 VanDerWaalsContact C-N 3.31Å; V152-A154 PolarHBondContact O-N 2.73Å; A154-W156 VanDerWaalsContact C-N 3.3Å; A154-W156 PolarHBondContact O-N 3.44Å; A154-Y157 PolarHBondContact O-N 3.11Å; A154-I158 PolarHBondContact O-N 3.01Å; A154-I158 VanDerWaalsContact O-N 3.16Å; A154-L167 VanDerWaalsContact CA-CD2 3.41Å; A154-L167 HydrophobicContact CB-CD2 3.6Å; A154-L167 VanDerWaalsContact O-CD2 3.26Å; A154-L167 WeakPolarHBondContact O-CD2 3.44Å; A154-F169 HydrophobicContact CB-CB 4.47Å; A154-L191 HydrophobicContact CB-CD1 3.89Å; A154-L191 HydrophobicContact CB-CD2 4.26Å
155	N	90.8	Very high	89.7	Confident	12 Å²	12	27.6 Å²	27.6	6%	0.064	13%	0.134	C	C	.	.	H	α-helix	trans	-62.4	-38.7	174.3	-79.5	-53.3	0	0	0	112.2	W151 V152 I158 N159 S188	W151-N155 VanDerWaalsContact CH2-ND2 3.31Å; W151-N155 WeakPolarHBondContact CH2-ND2 3.45Å; W151-N155 WeakPolarHBondContact CZ2-ND2 3.32Å; W151-N155 WeakPolarHBondContact CZ3-ND2 3.3Å; W151-N155 PolarHBondContact O-N 2.97Å; W151-N155 VanDerWaalsContact O-N 3.09Å; W151-N155 PolarHBondContact O-ND2 3.31Å; V152-N155 PolarHBondContact O-N 3.41Å; N155-I158 PolarHBondContact O-N 3.05Å; N155-N159 WeakPolarHBondContact O-CB 3.43Å; N155-N159 VanDerWaalsContact O-CG 3.27Å; N155-N159 PolarHBondContact O-N 3.18Å; N155-N159 VanDerWaalsContact O-N 3.09Å; N155-N159 PolarHBondContact O-ND2 2.88Å; N155-N159 VanDerWaalsContact O-ND2 3.12Å; N155-S188 PolarHBondContact OD1-OG 2.92Å
156	W	91.5	Very high	89.6	Confident	36 Å²	36	29 Å²	29	14%	0.136	14%	0.144	C	C	.	.	H	α-helix	trans	-59.8	-47.3	174.5	179.3	87.4	0	0	0	111.6	C40 F124 C132 V152 A153 A154 I158 N159 H160	C40-W156 HydrophobicContact CB-CH2 3.73Å; C40-W156 HydrophobicContact CB-CZ3 3.79Å; F124-W156 HydrophobicContact CD2-CZ3 4.32Å; F124-W156 AromaticContact CE1-CE3 3.95Å; F124-W156 HydrophobicContact CE1-CE3 3.95Å; F124-W156 HydrophobicContact CE1-CZ3 4.14Å; F124-W156 HydrophobicContact CE2-CE3 4.04Å; F124-W156 AromaticContact CE2-CH2 3.67Å; F124-W156 HydrophobicContact CE2-CH2 3.67Å; F124-W156 AromaticContact CE2-CZ3 3.4Å; F124-W156 HydrophobicContact CE2-CZ3 3.4Å; F124-W156 VanDerWaalsContact CE2-CZ3 3.4Å; F124-W156 HydrophobicContact CZ-CD2 4.01Å; F124-W156 AromaticContact CZ-CE3 3.42Å; F124-W156 HydrophobicContact CZ-CE3 3.42Å; F124-W156 VanDerWaalsContact CZ-CE3 3.42Å; F124-W156 AromaticContact CZ-CH2 3.77Å; F124-W156 HydrophobicContact CZ-CH2 3.77Å; F124-W156 HydrophobicContact CZ-CZ2 4.33Å; F124-W156 AromaticContact CZ-CZ3 3.29Å; F124-W156 HydrophobicContact CZ-CZ3 3.29Å; C132-W156 VanDerWaalsContact SG-CG 3.56Å; V152-W156 PolarHBondContact O-N 3.23Å; A153-W156 WeakPolarHBondContact O-CB 3.38Å; A153-W156 PolarHBondContact O-N 3.31Å; A154-W156 VanDerWaalsContact C-N 3.3Å; A154-W156 PolarHBondContact O-N 3.44Å; W156-I158 PolarHBondContact O-N 3.49Å; W156-N159 PolarHBondContact O-N 3.25Å; W156-H160 HydrophobicContact CD2-CB 4.29Å; W156-H160 HydrophobicContact CE3-CB 4.39Å; W156-H160 HydrophobicContact CH2-CB 4.42Å; W156-H160 AromaticContact CH2-CG 3.94Å; W156-H160 HydrophobicContact CZ2-CB 4.29Å; W156-H160 AromaticContact CZ2-CG 3.91Å; W156-H160 AromaticContact CZ2-ND1 3.69Å; W156-H160 HydrophobicContact CZ3-CB 4.45Å; W156-H160 WeakPolarHBondContact O-CB 3.44Å; W156-H160 PolarHBondContact O-N 2.69Å
157	Y	90.8	Very high	89.6	Confident	2 Å²	2	29 Å²	29	1%	0.008	14%	0.144	C	C	.	.	H	α-helix	trans	-58.6	-45.3	178.7	-98.2	-78.9	0	0	0	112.6	C40 I88 F124 A153 A154 H160 L161	C40-Y157 HydrophobicContact CB-CD1 4.44Å; C40-Y157 HydrophobicContact CB-CE1 3.7Å; C40-Y157 PolarHBondContact O-OH 3.32Å; I88-Y157 HydrophobicContact CD1-CD1 4.2Å; I88-Y157 HydrophobicContact CD1-CD2 4.48Å; I88-Y157 HydrophobicContact CD1-CE1 3.88Å; I88-Y157 HydrophobicContact CD1-CE2 4.19Å; I88-Y157 HydrophobicContact CD1-CG 4.49Å; I88-Y157 HydrophobicContact CG2-CE2 4.02Å; F124-Y157 HydrophobicContact CB-CE2 4.04Å; F124-Y157 WeakPolarHBondContact CB-OH 3.31Å; F124-Y157 HydrophobicContact CD1-CD2 4.36Å; F124-Y157 AromaticContact CD1-CE2 3.52Å; F124-Y157 HydrophobicContact CD1-CE2 3.52Å; F124-Y157 AromaticContact CD2-CE2 3.98Å; F124-Y157 HydrophobicContact CD2-CE2 3.98Å; F124-Y157 AromaticContact CD2-CZ 3.97Å; F124-Y157 WeakPolarHBondContact CD2-OH 3.34Å; F124-Y157 HydrophobicContact CE1-CD2 4.44Å; F124-Y157 AromaticContact CE1-CE2 3.9Å; F124-Y157 HydrophobicContact CE1-CE2 3.9Å; F124-Y157 HydrophobicContact CE2-CE2 4.33Å; F124-Y157 AromaticContact CG-CE2 3.57Å; F124-Y157 HydrophobicContact CG-CE2 3.57Å; F124-Y157 AromaticContact CG-CZ 3.91Å; F124-Y157 WeakPolarHBondContact CG-OH 3.48Å; F124-Y157 HydrophobicContact CZ-CE2 4.3Å; A153-Y157 WeakPolarHBondContact O-CD2 3.31Å; A153-Y157 PolarHBondContact O-N 3.11Å; A154-Y157 PolarHBondContact O-N 3.11Å; Y157-H160 PolarHBondContact O-N 2.79Å; Y157-L161 HydrophobicContact CD1-CD1 4.02Å; Y157-L161 HydrophobicContact CD1-CG 4.48Å; Y157-L161 VanDerWaalsContact O-CB 3.3Å; Y157-L161 WeakPolarHBondContact O-CB 3.35Å; Y157-L161 WeakPolarHBondContact O-CG 3.31Å; Y157-L161 PolarHBondContact O-N 2.93Å
158	I	88.5	Confident	89.5	Confident	14 Å²	14	29 Å²	29	7%	0.072	14%	0.144	C	C	.	.	H	α-helix	trans	-62.7	-46.3	179.6	-71.1	170.8	0	0	0	111.3	A154 N155 W156 K162 G163 L167 L191	A154-I158 PolarHBondContact O-N 3.01Å; A154-I158 VanDerWaalsContact O-N 3.16Å; N155-I158 PolarHBondContact O-N 3.05Å; W156-I158 PolarHBondContact O-N 3.49Å; I158-K162 PolarHBondContact O-N 3.22Å; I158-K162 VanDerWaalsContact O-N 3.1Å; I158-G163 PolarHBondContact O-N 2.95Å; I158-L167 HydrophobicContact CD1-CB 4.06Å; I158-L167 HydrophobicContact CD1-CD2 4.41Å; I158-L167 HydrophobicContact CG1-CB 3.88Å; I158-L167 HydrophobicContact CG1-CD2 4.2Å; I158-L191 HydrophobicContact CD1-CB 3.3Å; I158-L191 HydrophobicContact CD1-CD1 3.81Å; I158-L191 HydrophobicContact CD1-CD2 4.34Å; I158-L191 HydrophobicContact CD1-CG 3.97Å
159	N	88.5	Confident	89.6	Confident	113 Å²	113	28.8 Å²	28.8	60%	0.604	14%	0.143	S	C	*	.	H	α-helix	trans	-65.2	-43.2	179	-70.6	-28.9	0	0	0	111.2	N155 W156 K162	N155-N159 WeakPolarHBondContact O-CB 3.43Å; N155-N159 VanDerWaalsContact O-CG 3.27Å; N155-N159 PolarHBondContact O-N 3.18Å; N155-N159 VanDerWaalsContact O-N 3.09Å; N155-N159 PolarHBondContact O-ND2 2.88Å; N155-N159 VanDerWaalsContact O-ND2 3.12Å; W156-N159 PolarHBondContact O-N 3.25Å; N159-K162 PolarHBondContact O-N 3.45Å
160	H	89.6	Confident	89.7	Confident	41 Å²	41	28.8 Å²	28.8	19%	0.19	14%	0.143	C	C	.	.	H	α-helix	trans	-66	-45.9	-179.4	-178.9	82.9	0	0	0	112.1	C40 C45 Q47 C50 W156 Y157 K162	C40-H160 PolarHBondContact SG-NE2 3.01Å; C40-H160 VanDerWaalsContact SG-NE2 3.41Å; C45-H160 PolarHBondContact SG-NE2 3.47Å; Q47-H160 PolarHBondContact OE1-CE1 2.91Å; C50-H160 VanDerWaalsContact SG-CE1 3.59Å; C50-H160 PolarHBondContact SG-NE2 3.13Å; W156-H160 HydrophobicContact CD2-CB 4.29Å; W156-H160 HydrophobicContact CE3-CB 4.39Å; W156-H160 HydrophobicContact CH2-CB 4.42Å; W156-H160 AromaticContact CH2-CG 3.94Å; W156-H160 HydrophobicContact CZ2-CB 4.29Å; W156-H160 AromaticContact CZ2-CG 3.91Å; W156-H160 AromaticContact CZ2-ND1 3.69Å; W156-H160 HydrophobicContact CZ3-CB 4.45Å; W156-H160 WeakPolarHBondContact O-CB 3.44Å; W156-H160 PolarHBondContact O-N 2.69Å; Y157-H160 PolarHBondContact O-N 2.79Å; H160-K162 PolarHBondContact O-N 3.29Å
161	L	87.7	Confident	89.7	Confident	8 Å²	8	28.8 Å²	28.8	4%	0.042	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	4.9	176.6	-61.8	177.3	0	0	0	112.9	C45 Y64 Y157 G163 H164 V165	C45-L161 HydrophobicContact CB-CD2 3.76Å; Y64-L161 HydrophobicContact CD2-CD1 4Å; Y64-L161 HydrophobicContact CE2-CD1 3.72Å; Y157-L161 HydrophobicContact CD1-CD1 4.02Å; Y157-L161 HydrophobicContact CD1-CG 4.48Å; Y157-L161 VanDerWaalsContact O-CB 3.3Å; Y157-L161 WeakPolarHBondContact O-CB 3.35Å; Y157-L161 WeakPolarHBondContact O-CG 3.31Å; Y157-L161 PolarHBondContact O-N 2.93Å; L161-G163 PolarHBondContact O-N 3.13Å; L161-H164 WeakPolarHBondContact O-CB 3.36Å; L161-H164 PolarHBondContact O-N 3.2Å; L161-H164 PolarHBondContact O-ND1 2.76Å; L161-V165 HydrophobicContact CD1-CB 4.26Å; L161-V165 HydrophobicContact CD1-CG2 4.25Å
162	K	83.3	Confident	89.7	Confident	154 Å²	154	30.4 Å²	30.4	67%	0.67	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.7	32.5	179.2	-56.6	176.4	-177.7	172.5	0	113.2	I158 N159 H160 H164	I158-K162 PolarHBondContact O-N 3.22Å; I158-K162 VanDerWaalsContact O-N 3.1Å; N159-K162 PolarHBondContact O-N 3.45Å; H160-K162 PolarHBondContact O-N 3.29Å; K162-H164 VanDerWaalsContact C-N 3.29Å; K162-H164 PolarHBondContact O-N 3.07Å
163	G	75	Confident	89.6	Confident	15 Å²	15	30.9 Å²	30.9	16%	0.155	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	20.9	-176.8	0	0	0	0	0	115.7	I158 L161 V165 K190	I158-G163 PolarHBondContact O-N 2.95Å; L161-G163 PolarHBondContact O-N 3.13Å; G163-V165 PolarHBondContact O-N 3.2Å; G163-K190 VanDerWaalsContact O-CD 3.27Å; G163-K190 WeakPolarHBondContact O-CD 3.3Å; G163-K190 WeakPolarHBondContact O-CE 3.47Å; G163-K190 PolarHBondContact O-NZ 2.88Å
164	H	80.1	Confident	89.3	Confident	138 Å²	138	33.6 Å²	33.6	64%	0.639	17%	0.168	S	C	*	.	S	Bend	trans	-65.4	-26	173.4	-71	83.3	0	0	0	112.5	L161 K162	L161-H164 WeakPolarHBondContact O-CB 3.36Å; L161-H164 PolarHBondContact O-N 3.2Å; L161-H164 PolarHBondContact O-ND1 2.76Å; K162-H164 VanDerWaalsContact C-N 3.29Å; K162-H164 PolarHBondContact O-N 3.07Å
165	V	85.4	Confident	89.1	Confident	7 Å²	7	39.9 Å²	39.9	4%	0.042	20%	0.201	C	C	.	.	S	Bend	trans	-121.7	141.4	-177.9	-173.3	0	0	0	0	108.8	E62 Y64 L161 G163	E62-V165 WeakPolarHBondContact O-CG1 3.41Å; Y64-V165 HydrophobicContact CD1-CG1 3.76Å; Y64-V165 HydrophobicContact CD2-CB 4.37Å; Y64-V165 HydrophobicContact CD2-CG1 3.72Å; Y64-V165 HydrophobicContact CE1-CG1 3.98Å; Y64-V165 HydrophobicContact CE2-CB 4.35Å; Y64-V165 HydrophobicContact CE2-CG1 3.95Å; Y64-V165 HydrophobicContact CE2-CG2 4.15Å; Y64-V165 HydrophobicContact CG-CG1 3.61Å; L161-V165 HydrophobicContact CD1-CB 4.26Å; L161-V165 HydrophobicContact CD1-CG2 4.25Å; G163-V165 PolarHBondContact O-N 3.2Å
166	S	89.5	Confident	88.9	Confident	32 Å²	32	41.5 Å²	41.5	22%	0.224	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	135.6	169.5	-172.1	0	0	0	0	109.5	E62 T63 Y64	E62-S166 PolarHBondContact O-N 3.09Å; T63-S166 CarbonylContact C-O 3.56Å; T63-S166 VanDerWaalsContact CA-O 3.31Å; T63-S166 WeakPolarHBondContact CA-O 3.24Å; Y64-S166 PolarHBondContact N-O 3.47Å
167	L	92	Very high	88.7	Confident	5 Å²	5	40 Å²	40	3%	0.026	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	126.9	178.2	-171.7	75.3	0	0	0	109.9	Y64 L66 I88 A154 I158 K190 L191 T192	Y64-L167 WeakPolarHBondContact O-CA 3.49Å; L66-L167 HydrophobicContact CB-CD1 4.45Å; I88-L167 HydrophobicContact CD1-CD1 4.21Å; A154-L167 VanDerWaalsContact CA-CD2 3.41Å; A154-L167 HydrophobicContact CB-CD2 3.6Å; A154-L167 VanDerWaalsContact O-CD2 3.26Å; A154-L167 WeakPolarHBondContact O-CD2 3.44Å; I158-L167 HydrophobicContact CD1-CB 4.06Å; I158-L167 HydrophobicContact CD1-CD2 4.41Å; I158-L167 HydrophobicContact CG1-CB 3.88Å; I158-L167 HydrophobicContact CG1-CD2 4.2Å; L167-K190 PolarHBondContact N-O 3Å; L167-L191 HydrophobicContact CB-CD1 4.34Å; L167-L191 HydrophobicContact CD2-CD1 4.07Å; L167-L191 HydrophobicContact CG-CD1 4.32Å; L167-T192 PolarHBondContact O-N 3.01Å
168	V	93.4	Very high	88.4	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	118.3	172.7	-171.1	0	0	0	0	108.6	T63 Y64 I65 L66 V170 T192 L194 F199 Y203	T63-V168 HydrophobicContact CG2-CG2 3.68Å; Y64-V168 PolarHBondContact O-N 3.02Å; I65-V168 CarbonylContact C-O 3.55Å; I65-V168 WeakPolarHBondContact CA-O 3.35Å; L66-V168 PolarHBondContact N-O 2.86Å; V168-V170 HydrophobicContact CG1-CG2 3.96Å; V168-T192 CarbonylContact C-O 3.52Å; V168-T192 WeakPolarHBondContact CA-O 3.24Å; V168-L194 HydrophobicContact CG1-CD1 4.25Å; V168-F199 HydrophobicContact CG1-CD2 3.85Å; V168-F199 HydrophobicContact CG1-CE2 4.31Å; V168-Y203 HydrophobicContact CG1-CE2 4.33Å; V168-Y203 HydrophobicContact CG2-CE1 4.15Å; V168-Y203 HydrophobicContact CG2-CE2 3.69Å; V168-Y203 VanDerWaalsContact CG2-CZ 3.46Å; V168-Y203 VanDerWaalsContact CG2-OH 3.31Å; V168-Y203 WeakPolarHBondContact CG2-OH 3.42Å
169	F	94.9	Very high	88.2	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	112.7	171.2	176.5	-141.9	0	0	0	109.2	L66 D68 T147 N150 W151 A154 T171 V177 L191 T192 V193 L194	L66-F169 HydrophobicContact CB-CD2 4.27Å; L66-F169 HydrophobicContact CD2-CD2 3.98Å; L66-F169 HydrophobicContact CD2-CE2 4.4Å; L66-F169 HydrophobicContact CG-CD2 4.24Å; L66-F169 WeakPolarHBondContact O-CD2 3.28Å; D68-F169 HydrophobicContact CB-CE2 3.87Å; D68-F169 HydrophobicContact CB-CZ 4.22Å; T147-F169 HydrophobicContact CG2-CE1 4.22Å; T147-F169 HydrophobicContact CG2-CZ 4.08Å; N150-F169 HydrophobicContact CB-CD2 4.47Å; N150-F169 HydrophobicContact CB-CE2 3.54Å; N150-F169 HydrophobicContact CB-CZ 3.64Å; W151-F169 HydrophobicContact CB-CE1 4.08Å; A154-F169 HydrophobicContact CB-CB 4.47Å; F169-T171 HydrophobicContact CD1-CG2 4.08Å; F169-T171 HydrophobicContact CE1-CG2 3.76Å; F169-T171 HydrophobicContact CZ-CG2 4.02Å; F169-V177 HydrophobicContact CD1-CG2 4.4Å; F169-V177 HydrophobicContact CE1-CG2 3.73Å; F169-L191 HydrophobicContact CB-CD1 4.13Å; F169-T192 PolarHBondContact N-O 3.35Å; F169-V193 HydrophobicContact CB-CG2 4.47Å; F169-V193 HydrophobicContact CD1-CG1 4.21Å; F169-V193 HydrophobicContact CD1-CG2 4.3Å; F169-V193 WeakPolarHBondContact O-CA 3.42Å; F169-L194 PolarHBondContact O-N 3.26Å; F169-L194 VanDerWaalsContact O-N 3.09Å
170	V	95.6	Very high	87.8	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	110.7	-176.2	-173.6	0	0	0	0	109.5	I65 L66 D68 Y71 V168 L194 L196 F199	I65-V170 HydrophobicContact CG2-CG2 3.7Å; L66-V170 PolarHBondContact O-N 2.82Å; D68-V170 VanDerWaalsContact CB-O 3.3Å; D68-V170 WeakPolarHBondContact CB-O 3.17Å; D68-V170 PolarHBondContact N-O 2.88Å; Y71-V170 HydrophobicContact CD2-CG1 3.69Å; Y71-V170 HydrophobicContact CE2-CG1 3.79Å; V168-V170 HydrophobicContact CG1-CG2 3.96Å; V170-L194 CarbonylContact C-O 3.6Å; V170-L194 VanDerWaalsContact CA-O 3.24Å; V170-L194 WeakPolarHBondContact CA-O 3.2Å; V170-L196 HydrophobicContact CG1-CB 4.18Å; V170-L196 HydrophobicContact CG1-CD1 4.14Å; V170-F199 HydrophobicContact CG1-CB 4.49Å; V170-F199 HydrophobicContact CG2-CB 4.22Å; V170-F199 HydrophobicContact CG2-CD1 4.32Å; V170-F199 HydrophobicContact CG2-CD2 4.06Å; V170-F199 HydrophobicContact CG2-CG 3.92Å
171	T	95.1	Very high	87.4	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.223	C	C	.	.			trans	-146.6	143.9	-175.9	-178.4	0	0	0	0	111.8	D68 F169 N173 E174 V177 V193 L194 D195	D68-T171 WeakPolarHBondContact OD2-CB 3.37Å; D68-T171 PolarHBondContact OD2-OG1 3.15Å; F169-T171 HydrophobicContact CD1-CG2 4.08Å; F169-T171 HydrophobicContact CE1-CG2 3.76Å; F169-T171 HydrophobicContact CZ-CG2 4.02Å; T171-N173 PolarHBondContact OG1-N 3.43Å; T171-N173 VanDerWaalsContact OG1-N 3.09Å; T171-E174 HydrophobicContact CG2-CG 4.44Å; T171-V177 HydrophobicContact CG2-CG2 4.08Å; T171-V193 HydrophobicContact CG2-CG1 3.72Å; T171-L194 PolarHBondContact N-O 3.23Å; T171-D195 WeakPolarHBondContact O-CA 3.16Å
172	D	92.7	Very high	86.9	Confident	48 Å²	48	47.3 Å²	47.3	26%	0.257	25%	0.248	S	C	.	.	S	Bend	trans	-85.5	-0.2	173	73.2	-46.2	0	0	0	112	F70 Y71 K143	F70-D172 WeakPolarHBondContact CB-OD1 3.49Å; F70-D172 HydrophobicContact CD1-CB 3.87Å; F70-D172 WeakPolarHBondContact CD1-OD2 3.45Å; F70-D172 HydrophobicContact CE1-CB 4.2Å; Y71-D172 HydrophobicContact CE1-CB 4.31Å; Y71-D172 HydrophobicContact CE2-CB 4.05Å; Y71-D172 VanDerWaalsContact CE2-N 3.26Å; K143-D172 VanDerWaalsContact CE-OD1 3.24Å; K143-D172 WeakPolarHBondContact CE-OD1 3.45Å; K143-D172 VanDerWaalsContact CE-OD2 3.24Å; K143-D172 WeakPolarHBondContact CE-OD2 3.37Å; K143-D172 IonicContact NZ-OD1 2.71Å; K143-D172 IonicContact NZ-OD2 3.91Å; K143-D172 PolarHBondContact NZ-OD2 3Å
173	N	92	Very high	86.3	Confident	23 Å²	23	46.5 Å²	46.5	12%	0.123	25%	0.247	C	C	.	.			trans	-113.2	42.3	-174	-158.1	8.9	0	0	0	112.4	D144 T147 T171 N175 Y176 V177	D144-N173 PolarHBondContact OD1-ND2 3.32Å; T147-N173 HydrophobicContact CG2-CB 4.08Å; T171-N173 PolarHBondContact OG1-N 3.43Å; T171-N173 VanDerWaalsContact OG1-N 3.09Å; N173-N175 VanDerWaalsContact C-N 3.26Å; N173-N175 PolarHBondContact O-N 2.86Å; N173-Y176 PolarHBondContact O-N 3.28Å; N173-Y176 VanDerWaalsContact O-N 3.14Å; N173-Y176 WeakPolarHBondContact OD1-CB 3.49Å; N173-V177 PolarHBondContact O-N 3.4Å
174	E	87	Confident	85.9	Confident	57 Å²	57	48.1 Å²	48.1	27%	0.266	25%	0.254	S	S	.	.	H	α-helix	trans	-55.7	-38.6	-176.4	-61.5	-173.5	165	0	0	112.9	T171 Y176 V177 H178 V193 L194 D195	T171-E174 HydrophobicContact CG2-CG 4.44Å; E174-Y176 VanDerWaalsContact C-N 3.29Å; E174-Y176 PolarHBondContact O-N 3.22Å; E174-V177 WeakPolarHBondContact O-CA 3.42Å; E174-V177 WeakPolarHBondContact O-CB 3.37Å; E174-V177 PolarHBondContact O-N 3.34Å; E174-V177 VanDerWaalsContact O-N 3.1Å; E174-H178 PolarHBondContact O-CD2 3.32Å; E174-H178 PolarHBondContact O-N 2.96Å; E174-V193 HydrophobicContact CG-CG1 4.36Å; E174-L194 VanDerWaalsContact OE1-CA 3.31Å; E174-L194 WeakPolarHBondContact OE1-CA 3.46Å; E174-D195 PolarHBondContact OE1-N 3.33Å
175	N	88	Confident	85	Confident	132 Å²	132	48.6 Å²	48.6	71%	0.706	26%	0.261	S	S	*	.	H	α-helix	trans	-58.6	-41.3	179.4	-68.1	-28.8	0	0	0	112.4	N173 H178 T179	N173-N175 VanDerWaalsContact C-N 3.26Å; N173-N175 PolarHBondContact O-N 2.86Å; N175-H178 PolarHBondContact O-N 3.47Å; N175-T179 PolarHBondContact O-N 2.79Å; N175-T179 PolarHBondContact O-OG1 2.96Å
176	Y	86.7	Confident	83.7	Confident	47 Å²	47	50.8 Å²	50.8	18%	0.184	27%	0.274	C	S	.	.	H	α-helix	trans	-68.4	-39.8	177.5	-175.5	-104.2	0	0	0	111	E140 D144 T147 R148 N173 E174 H178 T179 Y180	E140-Y176 PolarHBondContact OE1-OH 2.93Å; D144-Y176 HydrophobicContact CB-CD1 4.22Å; D144-Y176 HydrophobicContact CB-CD2 4.23Å; D144-Y176 HydrophobicContact CB-CE1 3.89Å; D144-Y176 HydrophobicContact CB-CE2 3.94Å; D144-Y176 HydrophobicContact CB-CG 4.37Å; D144-Y176 VanDerWaalsContact O-CE1 3.22Å; D144-Y176 WeakPolarHBondContact O-CE1 3.41Å; T147-Y176 HydrophobicContact CG2-CD1 4.22Å; R148-Y176 HydrophobicContact CB-CE1 4Å; N173-Y176 PolarHBondContact O-N 3.28Å; N173-Y176 VanDerWaalsContact O-N 3.14Å; N173-Y176 WeakPolarHBondContact OD1-CB 3.49Å; E174-Y176 VanDerWaalsContact C-N 3.29Å; E174-Y176 PolarHBondContact O-N 3.22Å; Y176-H178 PolarHBondContact O-N 2.91Å; Y176-T179 PolarHBondContact O-N 3.49Å; Y176-Y180 WeakPolarHBondContact O-CB 3.24Å; Y176-Y180 PolarHBondContact O-N 3.13Å
177	V	86.2	Confident	82.1	Confident	5 Å²	5	56 Å²	56	3%	0.03	31%	0.305	C	S	.	.	H	α-helix	trans	-59.8	-45.2	173.9	175	0	0	0	0	111.8	T147 W151 F169 T171 N173 E174 Y180 S181 V193	T147-V177 HydrophobicContact CG2-CG2 3.57Å; W151-V177 VanDerWaalsContact CD1-CG1 3.41Å; W151-V177 HydrophobicContact CG-CG1 4.38Å; F169-V177 HydrophobicContact CD1-CG2 4.4Å; F169-V177 HydrophobicContact CE1-CG2 3.73Å; T171-V177 HydrophobicContact CG2-CG2 4.08Å; N173-V177 PolarHBondContact O-N 3.4Å; E174-V177 WeakPolarHBondContact O-CA 3.42Å; E174-V177 WeakPolarHBondContact O-CB 3.37Å; E174-V177 PolarHBondContact O-N 3.34Å; E174-V177 VanDerWaalsContact O-N 3.1Å; V177-Y180 PolarHBondContact O-N 2.94Å; V177-S181 WeakPolarHBondContact O-CB 3.44Å; V177-S181 PolarHBondContact O-N 3.25Å; V177-V193 HydrophobicContact CB-CG1 4.48Å; V177-V193 HydrophobicContact CG1-CG1 4.17Å; V177-V193 HydrophobicContact CG1-CG2 4Å
178	H	85.9	Confident	80.5	Confident	112 Å²	112	57.1 Å²	57.1	52%	0.519	31%	0.314	S	S	.	.	H	α-helix	trans	-63.4	-42.8	177.7	-72.7	-58.4	0	0	0	112.2	E174 N175 Y176 S181 S182	E174-H178 PolarHBondContact O-CD2 3.32Å; E174-H178 PolarHBondContact O-N 2.96Å; N175-H178 PolarHBondContact O-N 3.47Å; Y176-H178 PolarHBondContact O-N 2.91Å; H178-S181 PolarHBondContact O-N 2.85Å; H178-S182 WeakPolarHBondContact O-CB 3.35Å; H178-S182 PolarHBondContact O-N 3.14Å; H178-S182 PolarHBondContact O-OG 3.37Å
179	T	83.7	Confident	79	Confident	72 Å²	72	64 Å²	64	44%	0.442	36%	0.36	S	S	.	.	H	α-helix	trans	-58.7	-53.9	176.2	-53.6	0	0	0	0	110.2	N175 Y176 S181 S182 E183	N175-T179 PolarHBondContact O-N 2.79Å; N175-T179 PolarHBondContact O-OG1 2.96Å; Y176-T179 PolarHBondContact O-N 3.49Å; T179-S181 PolarHBondContact O-N 3.26Å; T179-S182 PolarHBondContact O-N 3.32Å; T179-S182 PolarHBondContact O-OG 2.97Å; T179-E183 WeakPolarHBondContact O-CG 3.43Å; T179-E183 PolarHBondContact O-N 2.79Å
180	Y	80.1	Confident	78.1	Confident	30 Å²	30	68.8 Å²	68.8	12%	0.118	38%	0.381	C	S	.	.	H	α-helix	trans	-66.9	-36.5	-178.4	-171.2	-113.9	0	0	0	113.7	R148 W151 V152 Y176 V177 S182 E183 T184	R148-Y180 HydrophobicContact CG-CD1 4.03Å; R148-Y180 HydrophobicContact CG-CD2 4.46Å; R148-Y180 HydrophobicContact CG-CE1 3.67Å; R148-Y180 HydrophobicContact CG-CE2 4.18Å; R148-Y180 HydrophobicContact CG-CG 4.4Å; W151-Y180 AromaticContact CD2-CD1 3.89Å; W151-Y180 HydrophobicContact CD2-CD1 3.89Å; W151-Y180 HydrophobicContact CD2-CE1 4.19Å; W151-Y180 AromaticContact CE3-CD1 3.5Å; W151-Y180 HydrophobicContact CE3-CD1 3.5Å; W151-Y180 AromaticContact CE3-CE1 3.32Å; W151-Y180 HydrophobicContact CE3-CE1 3.32Å; W151-Y180 HydrophobicContact CH2-CD1 4.02Å; W151-Y180 AromaticContact CH2-CE1 3.96Å; W151-Y180 HydrophobicContact CH2-CE1 3.96Å; W151-Y180 HydrophobicContact CZ2-CD1 4.36Å; W151-Y180 AromaticContact CZ3-CD1 3.61Å; W151-Y180 HydrophobicContact CZ3-CD1 3.61Å; W151-Y180 AromaticContact CZ3-CE1 3.22Å; W151-Y180 HydrophobicContact CZ3-CE1 3.22Å; V152-Y180 HydrophobicContact CG2-CE1 4.36Å; Y176-Y180 WeakPolarHBondContact O-CB 3.24Å; Y176-Y180 PolarHBondContact O-N 3.13Å; V177-Y180 PolarHBondContact O-N 2.94Å; Y180-S182 VanDerWaalsContact C-N 3.34Å; Y180-S182 PolarHBondContact O-N 3.31Å; Y180-E183 PolarHBondContact O-N 3.14Å; Y180-T184 HydrophobicContact CD1-CG2 4.37Å; Y180-T184 HydrophobicContact CD2-CG2 4.42Å; Y180-T184 HydrophobicContact CE1-CG2 4Å; Y180-T184 HydrophobicContact CE2-CG2 4.01Å; Y180-T184 WeakPolarHBondContact O-CG2 3.45Å; Y180-T184 PolarHBondContact O-N 2.71Å; Y180-T184 VanDerWaalsContact O-N 3.12Å; Y180-T184 PolarHBondContact O-OG1 3.15Å
181	S	80	Confident	77.6	Confident	34 Å²	34	70.2 Å²	70.2	24%	0.238	39%	0.388	C	S	.	.	H	α-helix	trans	-63.2	-41.5	176	-178.4	0	0	0	0	111.6	V177 H178 T179 E183 T184 N185	V177-S181 WeakPolarHBondContact O-CB 3.44Å; V177-S181 PolarHBondContact O-N 3.25Å; H178-S181 PolarHBondContact O-N 2.85Å; T179-S181 PolarHBondContact O-N 3.26Å; S181-E183 VanDerWaalsContact C-N 3.31Å; S181-E183 PolarHBondContact O-N 3.25Å; S181-T184 PolarHBondContact O-N 3.12Å; S181-T184 PolarHBondContact O-OG1 3.11Å; S181-N185 PolarHBondContact O-N 2.73Å
182	S	77.3	Confident	77.4	Confident	82 Å²	82	72.6 Å²	72.6	57%	0.573	40%	0.403	S	S	*	.	H	α-helix	trans	-64.3	-34.8	177.1	75.3	0	0	0	0	112.9	H178 T179 Y180	H178-S182 WeakPolarHBondContact O-CB 3.35Å; H178-S182 PolarHBondContact O-N 3.14Å; H178-S182 PolarHBondContact O-OG 3.37Å; T179-S182 PolarHBondContact O-N 3.32Å; T179-S182 PolarHBondContact O-OG 2.97Å; Y180-S182 VanDerWaalsContact C-N 3.34Å; Y180-S182 PolarHBondContact O-N 3.31Å
183	E	72.3	Confident	77.3	Confident	137 Å²	137	72 Å²	72	64%	0.64	40%	0.401	S	S	*	.	H	α-helix	trans	-72.1	-32	177	-69.3	175.4	179.5	0	0	112.8	T179 Y180 S181	T179-E183 WeakPolarHBondContact O-CG 3.43Å; T179-E183 PolarHBondContact O-N 2.79Å; Y180-E183 PolarHBondContact O-N 3.14Å; S181-E183 VanDerWaalsContact C-N 3.31Å; S181-E183 PolarHBondContact O-N 3.25Å
184	T	66.3	Low	77.4	Confident	50 Å²	50	72.2 Å²	72.2	31%	0.307	40%	0.402	S	S	.	.	H	α-helix	trans	-93.5	-6.5	-174	54.8	0	0	0	0	114.2	W151 Y180 S181 T186	W151-T184 HydrophobicContact CH2-CG2 4.23Å; W151-T184 WeakPolarHBondContact CH2-OG1 3.26Å; Y180-T184 HydrophobicContact CD1-CG2 4.37Å; Y180-T184 HydrophobicContact CD2-CG2 4.42Å; Y180-T184 HydrophobicContact CE1-CG2 4Å; Y180-T184 HydrophobicContact CE2-CG2 4.01Å; Y180-T184 WeakPolarHBondContact O-CG2 3.45Å; Y180-T184 PolarHBondContact O-N 2.71Å; Y180-T184 VanDerWaalsContact O-N 3.12Å; Y180-T184 PolarHBondContact O-OG1 3.15Å; S181-T184 PolarHBondContact O-N 3.12Å; S181-T184 PolarHBondContact O-OG1 3.11Å; T184-T186 PolarHBondContact O-N 3.46Å; T184-T186 VanDerWaalsContact O-N 3.15Å; T184-T186 PolarHBondContact OG1-OG1 3.05Å; T184-T186 VanDerWaalsContact OG1-OG1 3.06Å
185	N	60.2	Low	77.7	Confident	147 Å²	147	72.2 Å²	72.2	79%	0.786	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	31.1	-177	-79.1	-35.9	0	0	0	114.1	S181	S181-N185 PolarHBondContact O-N 2.73Å
186	T	59.1	Low	78	Confident	53 Å²	53	66 Å²	66	33%	0.325	37%	0.37	S	S	.	.			trans	-95.4	108	179.8	47	0	0	0	0	109.8	W151 T184	W151-T186 HydrophobicContact CH2-CG2 4.28Å; W151-T186 WeakPolarHBondContact CH2-OG1 3.21Å; W151-T186 WeakPolarHBondContact CZ2-OG1 3.36Å; T184-T186 PolarHBondContact O-N 3.46Å; T184-T186 VanDerWaalsContact O-N 3.15Å; T184-T186 PolarHBondContact OG1-OG1 3.05Å; T184-T186 VanDerWaalsContact OG1-OG1 3.06Å
187	T	54.5	Low	78.2	Confident	142 Å²	142	66 Å²	66	87%	0.871	38%	0.376	S	S	*	.			trans	-109.2	104.6	172.7	37.9	0	0	0	0	109.3
188	S	59.8	Low	78.5	Confident	29 Å²	29	66.9 Å²	66.9	20%	0.203	39%	0.386	C	S	.	.			trans	-102.7	108	177.2	-65	0	0	0	0	108.9	N155 K190 L191	N155-S188 PolarHBondContact OD1-OG 2.92Å; S188-K190 PolarHBondContact O-N 3.09Å; S188-L191 PolarHBondContact O-N 3.35Å; S188-L191 VanDerWaalsContact O-N 3.14Å
189	C	60.5	Low	78.9	Confident	143 Å²	143	61.6 Å²	61.6	97%	0.966	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-8.7	-171.3	-152.2	0	0	0	0	115.2
190	K	76.7	Confident	79.3	Confident	102 Å²	102	58.3 Å²	58.3	44%	0.443	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.5	8.7	178.8	-67.7	-165.9	174.8	-165.2	0	114.3	G163 L167 S188	G163-K190 VanDerWaalsContact O-CD 3.27Å; G163-K190 WeakPolarHBondContact O-CD 3.3Å; G163-K190 WeakPolarHBondContact O-CE 3.47Å; G163-K190 PolarHBondContact O-NZ 2.88Å; L167-K190 PolarHBondContact N-O 3Å; S188-K190 PolarHBondContact O-N 3.09Å
191	L	86	Confident	79.9	Confident	30 Å²	30	62.2 Å²	62.2	16%	0.157	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	119.3	172.3	-172.4	50.3	0	0	0	108.9	A154 I158 L167 F169 S188 V193	A154-L191 HydrophobicContact CB-CD1 3.89Å; A154-L191 HydrophobicContact CB-CD2 4.26Å; I158-L191 HydrophobicContact CD1-CB 3.3Å; I158-L191 HydrophobicContact CD1-CD1 3.81Å; I158-L191 HydrophobicContact CD1-CD2 4.34Å; I158-L191 HydrophobicContact CD1-CG 3.97Å; L167-L191 HydrophobicContact CB-CD1 4.34Å; L167-L191 HydrophobicContact CD2-CD1 4.07Å; L167-L191 HydrophobicContact CG-CD1 4.32Å; F169-L191 HydrophobicContact CB-CD1 4.13Å; S188-L191 PolarHBondContact O-N 3.35Å; S188-L191 VanDerWaalsContact O-N 3.14Å; L191-V193 HydrophobicContact CG-CG2 4.42Å
192	T	89.9	Confident	80.4	Confident	50 Å²	50	66.8 Å²	66.8	31%	0.307	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	128.3	171.4	-48.8	0	0	0	0	108.7	L167 V168 F169 L194	L167-T192 PolarHBondContact O-N 3.01Å; V168-T192 CarbonylContact C-O 3.52Å; V168-T192 WeakPolarHBondContact CA-O 3.24Å; F169-T192 PolarHBondContact N-O 3.35Å; T192-L194 HydrophobicContact CG2-CD1 3.97Å; T192-L194 HydrophobicContact CG2-CD2 4.41Å; T192-L194 HydrophobicContact CG2-CG 3.91Å
193	V	91.5	Very high	81	Confident	34 Å²	34	66.4 Å²	66.4	21%	0.206	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	125.6	175	-174.9	0	0	0	0	107.2	F169 T171 E174 V177 L191	F169-V193 HydrophobicContact CB-CG2 4.47Å; F169-V193 HydrophobicContact CD1-CG1 4.21Å; F169-V193 HydrophobicContact CD1-CG2 4.3Å; F169-V193 WeakPolarHBondContact O-CA 3.42Å; T171-V193 HydrophobicContact CG2-CG1 3.72Å; E174-V193 HydrophobicContact CG-CG1 4.36Å; V177-V193 HydrophobicContact CB-CG1 4.48Å; V177-V193 HydrophobicContact CG1-CG1 4.17Å; V177-V193 HydrophobicContact CG1-CG2 4Å; L191-V193 HydrophobicContact CG-CG2 4.42Å
194	L	93.2	Very high	81.9	Confident	28 Å²	28	62.2 Å²	62.2	15%	0.147	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	148.1	-179.4	-66.4	169.9	0	0	0	110.4	V168 F169 V170 T171 E174 T192 F199 M202 Y203	V168-L194 HydrophobicContact CG1-CD1 4.25Å; F169-L194 PolarHBondContact O-N 3.26Å; F169-L194 VanDerWaalsContact O-N 3.09Å; V170-L194 CarbonylContact C-O 3.6Å; V170-L194 VanDerWaalsContact CA-O 3.24Å; V170-L194 WeakPolarHBondContact CA-O 3.2Å; T171-L194 PolarHBondContact N-O 3.23Å; E174-L194 VanDerWaalsContact OE1-CA 3.31Å; E174-L194 WeakPolarHBondContact OE1-CA 3.46Å; T192-L194 HydrophobicContact CG2-CD1 3.97Å; T192-L194 HydrophobicContact CG2-CD2 4.41Å; T192-L194 HydrophobicContact CG2-CG 3.91Å; L194-F199 HydrophobicContact CB-CB 4.22Å; L194-F199 HydrophobicContact CD1-CB 4.4Å; L194-M202 HydrophobicContact CD1-CB 4.37Å; L194-Y203 HydrophobicContact CD1-CD2 4.41Å; L194-Y203 HydrophobicContact CD1-CE2 3.89Å
195	D	94.1	Very high	82.9	Confident	57 Å²	57	62.7 Å²	62.7	31%	0.305	35%	0.349	S	S	.	.			trans	-68.3	162.1	159.2	73.9	-6.2	0	0	0	110.5	T171 E174 G198 F199	T171-D195 WeakPolarHBondContact O-CA 3.16Å; E174-D195 PolarHBondContact OE1-N 3.33Å; D195-G198 PolarHBondContact O-N 3.33Å; D195-G198 VanDerWaalsContact OD1-CA 3.26Å; D195-G198 WeakPolarHBondContact OD1-CA 3.45Å; D195-G198 PolarHBondContact OD1-N 2.97Å; D195-F199 WeakPolarHBondContact O-CB 3.29Å; D195-F199 PolarHBondContact O-N 2.92Å
196	L	92.9	Very high	84.2	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.005	35%	0.348	C	S	.	.	H	α-helix	trans	-60.5	-42.7	-177.4	-176.7	60.3	0	0	0	113.1	Y71 Y75 L78 F79 V170 F199 L200 F214	Y71-L196 HydrophobicContact CD1-CB 3.87Å; Y71-L196 HydrophobicContact CD1-CD2 3.63Å; Y71-L196 HydrophobicContact CD1-CG 4.38Å; Y71-L196 HydrophobicContact CD2-CB 4.34Å; Y71-L196 HydrophobicContact CE1-CB 3.39Å; Y71-L196 HydrophobicContact CE1-CD2 3.83Å; Y71-L196 HydrophobicContact CE1-CG 4.28Å; Y71-L196 HydrophobicContact CE2-CB 3.83Å; Y71-L196 HydrophobicContact CG-CB 4.34Å; Y71-L196 HydrophobicContact CG-CD2 4.32Å; Y71-L196 PolarHBondContact OH-N 3.42Å; Y75-L196 HydrophobicContact CD1-CD2 3.74Å; Y75-L196 HydrophobicContact CD2-CD2 4.22Å; Y75-L196 HydrophobicContact CE1-CD2 4.38Å; Y75-L196 HydrophobicContact CG-CD2 3.62Å; L78-L196 HydrophobicContact CD1-CD2 3.79Å; L78-L196 HydrophobicContact CD1-CG 4.43Å; F79-L196 HydrophobicContact CE1-CD1 4.36Å; F79-L196 HydrophobicContact CZ-CD1 3.91Å; V170-L196 HydrophobicContact CG1-CB 4.18Å; V170-L196 HydrophobicContact CG1-CD1 4.14Å; L196-F199 HydrophobicContact CD1-CD1 4.09Å; L196-F199 PolarHBondContact O-N 2.97Å; L196-L200 HydrophobicContact CD1-CG 4.34Å; L196-L200 HydrophobicContact CG-CD1 4.48Å; L196-L200 WeakPolarHBondContact O-CG 3.37Å; L196-L200 PolarHBondContact O-N 2.88Å; L196-F214 HydrophobicContact CB-CE2 4.27Å; L196-F214 HydrophobicContact CD2-CD2 3.69Å; L196-F214 HydrophobicContact CD2-CE2 3.85Å; L196-F214 HydrophobicContact CG-CD2 3.94Å; L196-F214 HydrophobicContact CG-CE2 4.06Å
197	P	92.4	Very high	85.5	Confident	49 Å²	49	60.3 Å²	60.3	32%	0.318	34%	0.339	S	S	.	.	H	α-helix	trans	-57.1	-48.5	171.7	-22.9	30.1	0	0	0	113.8	F199 L200 Q201 F214	P197-F199 VanDerWaalsContact C-N 3.32Å; P197-F199 PolarHBondContact O-N 3.31Å; P197-L200 PolarHBondContact O-N 3.47Å; P197-Q201 WeakPolarHBondContact O-CB 3.43Å; P197-Q201 PolarHBondContact O-N 3.33Å; P197-F214 HydrophobicContact CB-CE1 4.45Å; P197-F214 HydrophobicContact CG-CE1 3.81Å; P197-F214 HydrophobicContact CG-CE2 4.18Å; P197-F214 HydrophobicContact CG-CZ 3.48Å; P197-F214 VanDerWaalsContact CG-CZ 3.48Å
198	G	92.2	Very high	87	Confident	22 Å²	22	56.3 Å²	56.3	23%	0.227	31%	0.314	C	S	.	.	H	α-helix	trans	-63.4	-39.9	179.7	0	0	0	0	0	111.6	D195 Q201 M202	D195-G198 PolarHBondContact O-N 3.33Å; D195-G198 VanDerWaalsContact OD1-CA 3.26Å; D195-G198 WeakPolarHBondContact OD1-CA 3.45Å; D195-G198 PolarHBondContact OD1-N 2.97Å; G198-Q201 PolarHBondContact O-N 2.88Å; G198-M202 VanDerWaalsContact O-CB 3.23Å; G198-M202 WeakPolarHBondContact O-CB 3.08Å; G198-M202 PolarHBondContact O-N 2.83Å
199	F	93.4	Very high	88.2	Confident	1 Å²	1	56.7 Å²	56.7	0%	0.004	32%	0.315	C	S	.	.	H	α-helix	trans	-59.8	-52.6	172.7	169.4	-109	0	0	0	112.3	I65 V168 V170 L194 D195 L196 P197 Q201 M202 Y203 Y204	I65-F199 HydrophobicContact CD1-CE1 4.48Å; I65-F199 HydrophobicContact CD1-CE2 4.19Å; I65-F199 HydrophobicContact CD1-CZ 3.53Å; I65-F199 HydrophobicContact CG1-CE2 4.02Å; I65-F199 HydrophobicContact CG1-CZ 3.85Å; I65-F199 HydrophobicContact CG2-CE2 4.43Å; I65-F199 HydrophobicContact CG2-CZ 4.17Å; V168-F199 HydrophobicContact CG1-CD2 3.85Å; V168-F199 HydrophobicContact CG1-CE2 4.31Å; V170-F199 HydrophobicContact CG1-CB 4.49Å; V170-F199 HydrophobicContact CG2-CB 4.22Å; V170-F199 HydrophobicContact CG2-CD1 4.32Å; V170-F199 HydrophobicContact CG2-CD2 4.06Å; V170-F199 HydrophobicContact CG2-CG 3.92Å; L194-F199 HydrophobicContact CB-CB 4.22Å; L194-F199 HydrophobicContact CD1-CB 4.4Å; D195-F199 WeakPolarHBondContact O-CB 3.29Å; D195-F199 PolarHBondContact O-N 2.92Å; L196-F199 HydrophobicContact CD1-CD1 4.09Å; L196-F199 PolarHBondContact O-N 2.97Å; P197-F199 VanDerWaalsContact C-N 3.32Å; P197-F199 PolarHBondContact O-N 3.31Å; F199-Q201 VanDerWaalsContact C-N 3.3Å; F199-Q201 PolarHBondContact O-N 2.9Å; F199-M202 PolarHBondContact O-N 3.15Å; F199-Y203 AromaticContact CD2-CD2 3.55Å; F199-Y203 HydrophobicContact CD2-CD2 3.55Å; F199-Y203 HydrophobicContact CD2-CE2 4.17Å; F199-Y203 HydrophobicContact CD2-CG 4.22Å; F199-Y203 AromaticContact CE2-CD2 3.83Å; F199-Y203 HydrophobicContact CE2-CD2 3.83Å; F199-Y203 HydrophobicContact CE2-CG 4.06Å; F199-Y203 PolarHBondContact O-N 3.01Å; F199-Y204 HydrophobicContact CE1-CD2 4.18Å; F199-Y204 AromaticContact CE1-CE2 3.97Å; F199-Y204 HydrophobicContact CE1-CE2 3.97Å; F199-Y204 HydrophobicContact CE2-CE2 4.15Å; F199-Y204 HydrophobicContact CZ-CD2 4.1Å; F199-Y204 AromaticContact CZ-CE2 3.51Å; F199-Y204 HydrophobicContact CZ-CE2 3.51Å
200	L	92.1	Very high	89.5	Confident	4 Å²	4	49.9 Å²	49.9	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-61.7	-39.8	179	-69.8	178	0	0	0	111.5	I84 L196 P197 Y204 A210 F214	I84-L200 HydrophobicContact CD1-CD2 4.19Å; L196-L200 HydrophobicContact CD1-CG 4.34Å; L196-L200 HydrophobicContact CG-CD1 4.48Å; L196-L200 WeakPolarHBondContact O-CG 3.37Å; L196-L200 PolarHBondContact O-N 2.88Å; P197-L200 PolarHBondContact O-N 3.47Å; L200-Y204 CarbonylContact O-C 3.56Å; L200-Y204 VanDerWaalsContact O-CA 3.22Å; L200-Y204 WeakPolarHBondContact O-CA 3.37Å; L200-Y204 PolarHBondContact O-N 3.39Å; L200-A210 HydrophobicContact CD2-CB 4.07Å; L200-F214 HydrophobicContact CD1-CB 3.85Å; L200-F214 HydrophobicContact CD1-CD2 4.48Å; L200-F214 HydrophobicContact CD1-CG 4.15Å
201	Q	93	Very high	90	Very high	111 Å²	111	47.7 Å²	47.7	52%	0.519	26%	0.26	S	S	.	.	H	α-helix	trans	-70.2	-34.9	179.4	-176.5	55.1	40.4	0	0	112.9	P197 G198 F199 P205	P197-Q201 WeakPolarHBondContact O-CB 3.43Å; P197-Q201 PolarHBondContact O-N 3.33Å; G198-Q201 PolarHBondContact O-N 2.88Å; F199-Q201 VanDerWaalsContact C-N 3.3Å; F199-Q201 PolarHBondContact O-N 2.9Å; Q201-P205 WeakPolarHBondContact O-CB 3.13Å
202	M	91.2	Very high	90	Very high	131 Å²	131	46.5 Å²	46.5	65%	0.645	25%	0.254	S	S	*	.	H	α-helix	trans	-78.7	-46.3	-178.9	-173.2	71.6	75.8	0	0	112.3	L194 G198 F199	L194-M202 HydrophobicContact CD1-CB 4.37Å; G198-M202 VanDerWaalsContact O-CB 3.23Å; G198-M202 WeakPolarHBondContact O-CB 3.08Å; G198-M202 PolarHBondContact O-N 2.83Å; F199-M202 PolarHBondContact O-N 3.15Å
203	Y	90.3	Very high	90	Very high	74 Å²	74	44.2 Å²	44.2	29%	0.29	24%	0.24	S	C	.	.	H	α-helix	trans	-99.7	-26.1	-171.5	-69.1	-88.6	0	0	0	113.5	T63 V168 L194 F199 P205	T63-Y203 HydrophobicContact CG2-CE1 4.04Å; V168-Y203 HydrophobicContact CG1-CE2 4.33Å; V168-Y203 HydrophobicContact CG2-CE1 4.15Å; V168-Y203 HydrophobicContact CG2-CE2 3.69Å; V168-Y203 VanDerWaalsContact CG2-CZ 3.46Å; V168-Y203 VanDerWaalsContact CG2-OH 3.31Å; V168-Y203 WeakPolarHBondContact CG2-OH 3.42Å; L194-Y203 HydrophobicContact CD1-CD2 4.41Å; L194-Y203 HydrophobicContact CD1-CE2 3.89Å; F199-Y203 AromaticContact CD2-CD2 3.55Å; F199-Y203 HydrophobicContact CD2-CD2 3.55Å; F199-Y203 HydrophobicContact CD2-CE2 4.17Å; F199-Y203 HydrophobicContact CD2-CG 4.22Å; F199-Y203 AromaticContact CE2-CD2 3.83Å; F199-Y203 HydrophobicContact CE2-CD2 3.83Å; F199-Y203 HydrophobicContact CE2-CG 4.06Å; F199-Y203 PolarHBondContact O-N 3.01Å; Y203-P205 VanDerWaalsContact C-CD 3.44Å
204	Y	90.8	Very high	90	Very high	48 Å²	48	43.7 Å²	43.7	19%	0.188	24%	0.235	C	C	.	.			trans	-132.7	48.7	-176.1	-57.7	-82.8	0	0	0	113	I84 F199 L200 T206 L207	I84-Y204 HydrophobicContact CG1-CE1 4.31Å; I84-Y204 HydrophobicContact CG1-CE2 4.26Å; F199-Y204 HydrophobicContact CE1-CD2 4.18Å; F199-Y204 AromaticContact CE1-CE2 3.97Å; F199-Y204 HydrophobicContact CE1-CE2 3.97Å; F199-Y204 HydrophobicContact CE2-CE2 4.15Å; F199-Y204 HydrophobicContact CZ-CD2 4.1Å; F199-Y204 AromaticContact CZ-CE2 3.51Å; F199-Y204 HydrophobicContact CZ-CE2 3.51Å; L200-Y204 CarbonylContact O-C 3.56Å; L200-Y204 VanDerWaalsContact O-CA 3.22Å; L200-Y204 WeakPolarHBondContact O-CA 3.37Å; L200-Y204 PolarHBondContact O-N 3.39Å; Y204-T206 PolarHBondContact O-N 3.17Å; Y204-T206 VanDerWaalsContact O-N 3.16Å; Y204-L207 HydrophobicContact CD1-CD2 4.04Å; Y204-L207 HydrophobicContact CG-CD2 4.27Å; Y204-L207 PolarHBondContact O-N 3.1Å; Y204-L207 VanDerWaalsContact O-N 3.1Å
205	P	87.2	Confident	89.7	Confident	60 Å²	60	44.8 Å²	44.8	39%	0.39	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-29.7	-173.6	23.7	-33.6	0	0	0	113.6	Q201 Y203 K211	Q201-P205 WeakPolarHBondContact O-CB 3.13Å; Y203-P205 VanDerWaalsContact C-CD 3.44Å; P205-K211 WeakPolarHBondContact O-CE 3.4Å; P205-K211 PolarHBondContact O-NZ 2.67Å
206	T	87.5	Confident	89.4	Confident	126 Å²	126	42.3 Å²	42.3	77%	0.773	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90	-10	-178.9	52.6	0	0	0	0	113.4	Y204 T208	Y204-T206 PolarHBondContact O-N 3.17Å; Y204-T206 VanDerWaalsContact O-N 3.16Å; T206-T208 VanDerWaalsContact C-N 3.31Å; T206-T208 PolarHBondContact O-N 3.44Å
207	L	87	Confident	89.2	Confident	25 Å²	25	42.7 Å²	42.7	13%	0.131	23%	0.23	C	C	.	.			trans	-80.4	78.7	-177	-169.1	60.4	0	0	0	110.3	D83 I84 Y204 T209 A210 K211	D83-L207 HydrophobicContact CB-CD1 4.27Å; D83-L207 HydrophobicContact CB-CD2 3.86Å; D83-L207 WeakPolarHBondContact OD2-CD1 3.39Å; I84-L207 HydrophobicContact CG1-CD2 4.47Å; Y204-L207 HydrophobicContact CD1-CD2 4.04Å; Y204-L207 HydrophobicContact CG-CD2 4.27Å; Y204-L207 PolarHBondContact O-N 3.1Å; Y204-L207 VanDerWaalsContact O-N 3.1Å; L207-T209 PolarHBondContact O-N 2.98Å; L207-A210 HydrophobicContact CB-CB 4.33Å; L207-A210 HydrophobicContact CD2-CB 3.6Å; L207-A210 HydrophobicContact CG-CB 3.72Å; L207-A210 PolarHBondContact O-N 3.34Å; L207-K211 PolarHBondContact O-N 3.4Å
208	T	84.4	Confident	89.1	Confident	57 Å²	57	41.5 Å²	41.5	35%	0.35	22%	0.221	S	C	.	.	H	α-helix	trans	-60.4	-32.8	-174.8	57.2	0	0	0	0	113	T206 K211 L212	T206-T208 VanDerWaalsContact C-N 3.31Å; T206-T208 PolarHBondContact O-N 3.44Å; T208-K211 PolarHBondContact O-N 3.05Å; T208-L212 WeakPolarHBondContact O-CG 3.32Å; T208-L212 PolarHBondContact O-N 2.71Å
209	T	86	Confident	88.8	Confident	38 Å²	38	42 Å²	42	23%	0.233	22%	0.219	C	C	.	.	H	α-helix	trans	-62.8	-46.1	179.7	-50.2	0	0	0	0	111.3	L207 K211 L212 L213 F472 Q474	L207-T209 PolarHBondContact O-N 2.98Å; T209-K211 VanDerWaalsContact C-N 3.32Å; T209-K211 PolarHBondContact O-N 3.2Å; T209-L212 PolarHBondContact O-N 3.04Å; T209-L213 WeakPolarHBondContact O-CB 3.14Å; T209-L213 PolarHBondContact O-N 3.44Å; T209-F472 HydrophobicContact CG2-CE1 4.22Å; T209-Q474 HydrophobicContact CG2-CB 3.86Å
210	A	87.6	Confident	88.3	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63	-39.2	177.4	0	0	0	0	0	111.9	L78 L81 L200 L207 F214	L78-A210 HydrophobicContact CD2-CB 3.91Å; L78-A210 WeakPolarHBondContact CD2-O 3.36Å; L81-A210 HydrophobicContact CD1-CB 3.79Å; L200-A210 HydrophobicContact CD2-CB 4.07Å; L207-A210 HydrophobicContact CB-CB 4.33Å; L207-A210 HydrophobicContact CD2-CB 3.6Å; L207-A210 HydrophobicContact CG-CB 3.72Å; L207-A210 PolarHBondContact O-N 3.34Å; A210-F214 VanDerWaalsContact O-CB 3.31Å; A210-F214 WeakPolarHBondContact O-CB 3.47Å; A210-F214 PolarHBondContact O-N 2.98Å
211	K	87.3	Confident	88	Confident	55 Å²	55	43.5 Å²	43.5	24%	0.239	23%	0.228	C	C	.	.	H	α-helix	trans	-64.7	-45.9	176.2	-69.1	179.3	170.7	-176.6	0	112.3	P205 L207 T208 T209 F214 D215	P205-K211 WeakPolarHBondContact O-CE 3.4Å; P205-K211 PolarHBondContact O-NZ 2.67Å; L207-K211 PolarHBondContact O-N 3.4Å; T208-K211 PolarHBondContact O-N 3.05Å; T209-K211 VanDerWaalsContact C-N 3.32Å; T209-K211 PolarHBondContact O-N 3.2Å; K211-F214 PolarHBondContact O-N 3.03Å; K211-D215 WeakPolarHBondContact O-CB 3.26Å; K211-D215 VanDerWaalsContact O-CG 3.27Å; K211-D215 PolarHBondContact O-N 2.69Å
212	L	86.2	Confident	87.6	Confident	6 Å²	6	45.5 Å²	45.5	3%	0.031	23%	0.231	C	C	.	.	H	α-helix	trans	-63.6	-42.1	177.4	-75.2	173.7	0	0	0	112.4	T208 T209 S216 Q445 F472	T208-L212 WeakPolarHBondContact O-CG 3.32Å; T208-L212 PolarHBondContact O-N 2.71Å; T209-L212 PolarHBondContact O-N 3.04Å; L212-S216 VanDerWaalsContact O-CB 3.26Å; L212-S216 WeakPolarHBondContact O-CB 3.46Å; L212-S216 PolarHBondContact O-N 2.88Å; L212-Q445 HydrophobicContact CD2-CB 4.09Å; L212-Q445 HydrophobicContact CD2-CG 3.89Å; L212-F472 HydrophobicContact CB-CD1 3.68Å; L212-F472 HydrophobicContact CB-CE1 3.63Å; L212-F472 HydrophobicContact CB-CZ 4.42Å; L212-F472 HydrophobicContact CD1-CE1 4.14Å; L212-F472 HydrophobicContact CD1-CZ 4.13Å
213	L	89.4	Confident	86.8	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-62.4	-46	174.6	172.4	58.2	0	0	0	110.8	E77 L78 L81 T209 S216 L217 F472	E77-L213 HydrophobicContact CB-CD2 4.24Å; L78-L213 HydrophobicContact CD2-CB 3.97Å; L78-L213 HydrophobicContact CD2-CD2 3.62Å; L78-L213 HydrophobicContact CD2-CG 3.75Å; L78-L213 HydrophobicContact CG-CD2 3.88Å; L78-L213 HydrophobicContact CG-CG 4Å; L81-L213 HydrophobicContact CD1-CD2 4.47Å; T209-L213 WeakPolarHBondContact O-CB 3.14Å; T209-L213 PolarHBondContact O-N 3.44Å; L213-S216 PolarHBondContact O-N 2.87Å; L213-L217 HydrophobicContact CD1-CD1 3.65Å; L213-L217 HydrophobicContact CD1-CG 3.87Å; L213-L217 HydrophobicContact CG-CD1 3.96Å; L213-L217 WeakPolarHBondContact O-CB 3.44Å; L213-L217 VanDerWaalsContact O-CG 3.3Å; L213-L217 WeakPolarHBondContact O-CG 3.27Å; L213-L217 PolarHBondContact O-N 3.26Å; L213-F472 WeakPolarHBondContact CD1-O 3.43Å
214	F	91.6	Very high	86	Confident	23 Å²	23	40.6 Å²	40.6	10%	0.101	22%	0.215	C	C	.	.	H	α-helix	trans	-58.5	-52.7	175.4	174.2	-96	0	0	0	112.2	Y75 L78 L196 P197 L200 A210 K211 S216 L217 D218	Y75-F214 AromaticContact CD1-CD2 3.95Å; Y75-F214 HydrophobicContact CD1-CD2 3.95Å; Y75-F214 HydrophobicContact CD1-CE2 4.21Å; Y75-F214 AromaticContact CE1-CD2 3.71Å; Y75-F214 HydrophobicContact CE1-CD2 3.71Å; Y75-F214 AromaticContact CE1-CE2 3.63Å; Y75-F214 HydrophobicContact CE1-CE2 3.63Å; L78-F214 HydrophobicContact CD1-CB 3.97Å; L78-F214 HydrophobicContact CD1-CD2 4.14Å; L196-F214 HydrophobicContact CB-CE2 4.27Å; L196-F214 HydrophobicContact CD2-CD2 3.69Å; L196-F214 HydrophobicContact CD2-CE2 3.85Å; L196-F214 HydrophobicContact CG-CD2 3.94Å; L196-F214 HydrophobicContact CG-CE2 4.06Å; P197-F214 HydrophobicContact CB-CE1 4.45Å; P197-F214 HydrophobicContact CG-CE1 3.81Å; P197-F214 HydrophobicContact CG-CE2 4.18Å; P197-F214 HydrophobicContact CG-CZ 3.48Å; P197-F214 VanDerWaalsContact CG-CZ 3.48Å; L200-F214 HydrophobicContact CD1-CB 3.85Å; L200-F214 HydrophobicContact CD1-CD2 4.48Å; L200-F214 HydrophobicContact CD1-CG 4.15Å; A210-F214 VanDerWaalsContact O-CB 3.31Å; A210-F214 WeakPolarHBondContact O-CB 3.47Å; A210-F214 PolarHBondContact O-N 2.98Å; K211-F214 PolarHBondContact O-N 3.03Å; F214-S216 VanDerWaalsContact C-N 3.27Å; F214-S216 PolarHBondContact O-N 3.4Å; F214-L217 PolarHBondContact O-N 2.92Å; F214-D218 HydrophobicContact CE1-CB 4.32Å; F214-D218 HydrophobicContact CZ-CB 4.16Å; F214-D218 VanDerWaalsContact O-CB 3.29Å; F214-D218 WeakPolarHBondContact O-CB 3.39Å; F214-D218 PolarHBondContact O-N 2.79Å
215	D	88.1	Confident	85.2	Confident	51 Å²	51	42.9 Å²	42.9	27%	0.273	23%	0.227	S	C	.	.	H	α-helix	trans	-57.4	-42.7	179.8	-72.6	-10.8	0	0	0	111.1	K211 V219 T444	K211-D215 WeakPolarHBondContact O-CB 3.26Å; K211-D215 VanDerWaalsContact O-CG 3.27Å; K211-D215 PolarHBondContact O-N 2.69Å; D215-V219 WeakPolarHBondContact O-CG2 3.47Å; D215-V219 PolarHBondContact O-N 2.89Å; D215-T444 HydrophobicContact CB-CG2 4.35Å; D215-T444 PolarHBondContact OD2-OG1 2.96Å
216	S	87.2	Confident	84.1	Confident	4 Å²	4	42.8 Å²	42.8	3%	0.028	23%	0.228	C	C	.	.	H	α-helix	trans	-69	-41.7	-179.8	-166.8	0	0	0	0	112.3	L212 L213 F214 S220 H442 H471 F472	L212-S216 VanDerWaalsContact O-CB 3.26Å; L212-S216 WeakPolarHBondContact O-CB 3.46Å; L212-S216 PolarHBondContact O-N 2.88Å; L213-S216 PolarHBondContact O-N 2.87Å; F214-S216 VanDerWaalsContact C-N 3.27Å; F214-S216 PolarHBondContact O-N 3.4Å; S216-S220 WeakPolarHBondContact O-CB 3.39Å; S216-S220 PolarHBondContact O-N 3.3Å; S216-S220 VanDerWaalsContact O-N 3.1Å; S216-H442 PolarHBondContact OG-O 3.42Å; S216-H471 WeakPolarHBondContact OG-CA 3.22Å; S216-H471 WeakPolarHBondContact OG-CB 3.05Å; S216-F472 PolarHBondContact OG-N 3.09Å
217	L	88.4	Confident	82.6	Confident	10 Å²	10	39.2 Å²	39.2	5%	0.052	20%	0.202	C	C	.	.	H	α-helix	trans	-66.8	-45.3	176.4	-76.7	172.7	0	0	0	111.6	Y75 E77 L213 F214 V219 S220 L221 H471	Y75-L217 HydrophobicContact CD1-CB 4Å; Y75-L217 HydrophobicContact CD1-CD1 3.98Å; Y75-L217 HydrophobicContact CE1-CB 3.88Å; E77-L217 HydrophobicContact CG-CD1 4.44Å; L213-L217 HydrophobicContact CD1-CD1 3.65Å; L213-L217 HydrophobicContact CD1-CG 3.87Å; L213-L217 HydrophobicContact CG-CD1 3.96Å; L213-L217 WeakPolarHBondContact O-CB 3.44Å; L213-L217 VanDerWaalsContact O-CG 3.3Å; L213-L217 WeakPolarHBondContact O-CG 3.27Å; L213-L217 PolarHBondContact O-N 3.26Å; F214-L217 PolarHBondContact O-N 2.92Å; L217-V219 VanDerWaalsContact C-N 3.32Å; L217-V219 PolarHBondContact O-N 3.12Å; L217-S220 WeakPolarHBondContact O-CB 3.45Å; L217-S220 PolarHBondContact O-N 3.35Å; L217-S220 VanDerWaalsContact O-N 3.15Å; L217-L221 WeakPolarHBondContact O-CB 3.18Å; L217-L221 WeakPolarHBondContact O-CD1 3.5Å; L217-L221 VanDerWaalsContact O-CG 3.24Å; L217-L221 WeakPolarHBondContact O-CG 3.41Å; L217-L221 PolarHBondContact O-N 3.03Å; L217-H471 HydrophobicContact CD2-CB 4.4Å
218	D	90.2	Very high	80.9	Confident	24 Å²	24	43.8 Å²	43.8	13%	0.128	23%	0.226	C	C	.	.	H	α-helix	trans	-59.6	-42.6	-180	176.5	63.4	0	0	0	111.5	Y75 F214 L221 R222	Y75-D218 HydrophobicContact CE1-CB 4.43Å; Y75-D218 PolarHBondContact OH-OD1 2.98Å; F214-D218 HydrophobicContact CE1-CB 4.32Å; F214-D218 HydrophobicContact CZ-CB 4.16Å; F214-D218 VanDerWaalsContact O-CB 3.29Å; F214-D218 WeakPolarHBondContact O-CB 3.39Å; F214-D218 PolarHBondContact O-N 2.79Å; D218-L221 PolarHBondContact O-N 2.84Å; D218-R222 WeakPolarHBondContact O-CB 3.34Å; D218-R222 VanDerWaalsContact O-CG 3.25Å; D218-R222 WeakPolarHBondContact O-CG 3.42Å; D218-R222 PolarHBondContact O-N 3.06Å; D218-R222 IonicContact OD1-CZ 2.86Å; D218-R222 IonicContact OD1-NE 3.54Å; D218-R222 PolarHBondContact OD1-NE 3.12Å; D218-R222 IonicContact OD1-NH2 3.63Å; D218-R222 PolarHBondContact OD1-NH2 2.83Å; D218-R222 VanDerWaalsContact OD1-NH2 3.16Å; D218-R222 IonicContact OD2-CZ 3.3Å; D218-R222 IonicContact OD2-NE 3.47Å; D218-R222 PolarHBondContact OD2-NE 3.43Å; D218-R222 IonicContact OD2-NH1 3.38Å; D218-R222 IonicContact OD2-NH2 2.66Å; D218-R222 PolarHBondContact OD2-NH2 2.81Å
219	V	85.6	Confident	78.7	Confident	32 Å²	32	49 Å²	49	19%	0.194	25%	0.247	C	C	.	.	H	α-helix	trans	-67.3	-41	174.4	173.2	0	0	0	0	112.2	D215 L217 L221 R222 S223 W426 H442	D215-V219 WeakPolarHBondContact O-CG2 3.47Å; D215-V219 PolarHBondContact O-N 2.89Å; L217-V219 VanDerWaalsContact C-N 3.32Å; L217-V219 PolarHBondContact O-N 3.12Å; V219-L221 VanDerWaalsContact C-N 3.34Å; V219-L221 PolarHBondContact O-N 3.03Å; V219-R222 PolarHBondContact O-N 3.48Å; V219-S223 WeakPolarHBondContact O-CB 3.44Å; V219-S223 PolarHBondContact O-N 2.91Å; V219-W426 HydrophobicContact CG1-CH2 4.18Å; V219-W426 HydrophobicContact CG1-CZ2 3.58Å; V219-H442 HydrophobicContact CB-CB 4.29Å; V219-H442 HydrophobicContact CG1-CB 3.82Å
220	S	83.9	Confident	76.3	Confident	13 Å²	13	53 Å²	53	9%	0.091	27%	0.266	C	S	.	.	H	α-helix	trans	-59.3	-45.9	175.6	-168.8	0	0	0	0	111.1	S216 L217 S223 I224 D459	S216-S220 WeakPolarHBondContact O-CB 3.39Å; S216-S220 PolarHBondContact O-N 3.3Å; S216-S220 VanDerWaalsContact O-N 3.1Å; L217-S220 WeakPolarHBondContact O-CB 3.45Å; L217-S220 PolarHBondContact O-N 3.35Å; L217-S220 VanDerWaalsContact O-N 3.15Å; S220-S223 WeakPolarHBondContact O-CB 3.34Å; S220-S223 PolarHBondContact O-N 2.92Å; S220-I224 VanDerWaalsContact O-CG1 3.32Å; S220-I224 WeakPolarHBondContact O-CG1 3.36Å; S220-I224 PolarHBondContact O-N 2.9Å; S220-D459 PolarHBondContact OG-OD2 3.36Å
221	L	85.3	Confident	73.7	Confident	24 Å²	24	59.2 Å²	59.2	13%	0.126	30%	0.299	C	S	.	.	H	α-helix	trans	-65.5	-44.5	178.8	-70.2	163.2	0	0	0	112.6	N74 Y75 L217 D218 V219 S223 I224 Q225	N74-L221 HydrophobicContact CB-CD1 3.74Å; N74-L221 HydrophobicContact CB-CD2 4Å; Y75-L221 HydrophobicContact CD2-CD1 4.24Å; Y75-L221 HydrophobicContact CE1-CD1 3.86Å; Y75-L221 HydrophobicContact CE2-CD1 3.51Å; Y75-L221 WeakPolarHBondContact OH-CD1 3.48Å; L217-L221 WeakPolarHBondContact O-CB 3.18Å; L217-L221 WeakPolarHBondContact O-CD1 3.5Å; L217-L221 VanDerWaalsContact O-CG 3.24Å; L217-L221 WeakPolarHBondContact O-CG 3.41Å; L217-L221 PolarHBondContact O-N 3.03Å; D218-L221 PolarHBondContact O-N 2.84Å; V219-L221 VanDerWaalsContact C-N 3.34Å; V219-L221 PolarHBondContact O-N 3.03Å; L221-S223 VanDerWaalsContact C-N 3.3Å; L221-S223 PolarHBondContact O-N 3.01Å; L221-I224 PolarHBondContact O-N 3.42Å; L221-I224 VanDerWaalsContact O-N 3.17Å; L221-Q225 WeakPolarHBondContact O-CG 2.96Å; L221-Q225 PolarHBondContact O-N 3.43Å
222	R	84.6	Confident	71.1	Confident	153 Å²	153	61.3 Å²	61.3	58%	0.577	32%	0.318	S	S	*	.	H	α-helix	trans	-62.4	-38.9	175.4	-72	173.4	-168.3	-171.1	3.9	111.9	D218 V219 I224 Q225 S226	D218-R222 WeakPolarHBondContact O-CB 3.34Å; D218-R222 VanDerWaalsContact O-CG 3.25Å; D218-R222 WeakPolarHBondContact O-CG 3.42Å; D218-R222 PolarHBondContact O-N 3.06Å; D218-R222 IonicContact OD1-CZ 2.86Å; D218-R222 IonicContact OD1-NE 3.54Å; D218-R222 PolarHBondContact OD1-NE 3.12Å; D218-R222 IonicContact OD1-NH2 3.63Å; D218-R222 PolarHBondContact OD1-NH2 2.83Å; D218-R222 VanDerWaalsContact OD1-NH2 3.16Å; D218-R222 IonicContact OD2-CZ 3.3Å; D218-R222 IonicContact OD2-NE 3.47Å; D218-R222 PolarHBondContact OD2-NE 3.43Å; D218-R222 IonicContact OD2-NH1 3.38Å; D218-R222 IonicContact OD2-NH2 2.66Å; D218-R222 PolarHBondContact OD2-NH2 2.81Å; V219-R222 PolarHBondContact O-N 3.48Å; R222-I224 VanDerWaalsContact C-N 3.33Å; R222-I224 PolarHBondContact O-N 3.36Å; R222-Q225 PolarHBondContact O-N 3.47Å; R222-S226 WeakPolarHBondContact O-CB 3.46Å; R222-S226 PolarHBondContact O-N 3.35Å; R222-S226 PolarHBondContact O-OG 2.9Å
223	S	74.9	Confident	68.3	Low	39 Å²	39	70.3 Å²	70.3	27%	0.273	36%	0.36	S	S	.	.	H	α-helix	trans	-59.6	-45	173.7	-179.1	0	0	0	0	110.9	V219 S220 L221 S226 K227	V219-S223 WeakPolarHBondContact O-CB 3.44Å; V219-S223 PolarHBondContact O-N 2.91Å; S220-S223 WeakPolarHBondContact O-CB 3.34Å; S220-S223 PolarHBondContact O-N 2.92Å; L221-S223 VanDerWaalsContact C-N 3.3Å; L221-S223 PolarHBondContact O-N 3.01Å; S223-S226 PolarHBondContact O-OG 2.82Å; S223-K227 WeakPolarHBondContact O-CG 3.08Å
224	I	73.5	Confident	65.4	Low	62 Å²	62	78 Å²	78	32%	0.318	40%	0.4	S	S	.	.	H	α-helix	trans	-64.8	-48.4	176.9	-65.7	163.3	0	0	0	111.3	S220 L221 R222 S226 K227 T460	S220-I224 VanDerWaalsContact O-CG1 3.32Å; S220-I224 WeakPolarHBondContact O-CG1 3.36Å; S220-I224 PolarHBondContact O-N 2.9Å; L221-I224 PolarHBondContact O-N 3.42Å; L221-I224 VanDerWaalsContact O-N 3.17Å; R222-I224 VanDerWaalsContact C-N 3.33Å; R222-I224 PolarHBondContact O-N 3.36Å; I224-S226 VanDerWaalsContact C-N 3.35Å; I224-S226 PolarHBondContact O-N 3.24Å; I224-K227 VanDerWaalsContact O-CB 3.31Å; I224-K227 WeakPolarHBondContact O-CB 3.46Å; I224-K227 PolarHBondContact O-N 3.23Å; I224-K227 VanDerWaalsContact O-N 3.09Å; I224-T460 HydrophobicContact CD1-CG2 4.32Å; I224-T460 HydrophobicContact CG1-CG2 4.38Å
225	Q	72.7	Confident	62.4	Low	96 Å²	96	81.6 Å²	81.6	45%	0.449	43%	0.428	S	S	.	.	H	α-helix	trans	-64.6	-35.9	-178.9	-71.7	174.5	-3.4	0	0	113.1	L221 R222 K227 D228	L221-Q225 WeakPolarHBondContact O-CG 2.96Å; L221-Q225 PolarHBondContact O-N 3.43Å; R222-Q225 PolarHBondContact O-N 3.47Å; Q225-K227 PolarHBondContact O-N 3.05Å; Q225-D228 PolarHBondContact O-N 2.95Å
226	S	64	Low	59.4	Low	59 Å²	59	88.7 Å²	88.7	41%	0.413	46%	0.457	S	S	.	.	H	α-helix	trans	-62.5	-21.7	175.8	74.3	0	0	0	0	112.9	R222 S223 I224 N230	R222-S226 WeakPolarHBondContact O-CB 3.46Å; R222-S226 PolarHBondContact O-N 3.35Å; R222-S226 PolarHBondContact O-OG 2.9Å; S223-S226 PolarHBondContact O-OG 2.82Å; I224-S226 VanDerWaalsContact C-N 3.35Å; I224-S226 PolarHBondContact O-N 3.24Å; S226-N230 WeakPolarHBondContact O-CB 3.42Å; S226-N230 PolarHBondContact O-N 2.86Å; S226-N230 PolarHBondContact O-ND2 3.09Å
227	K	56.3	Low	56.6	Low	51 Å²	51	93.1 Å²	93.1	22%	0.222	49%	0.488	C	S	.	.	H	α-helix	trans	-78.1	-40	176	-62.1	170.4	-172.7	-175.7	0	112.1	S223 I224 Q225 H229 N230 L231 D462 Y464	S223-K227 WeakPolarHBondContact O-CG 3.08Å; I224-K227 VanDerWaalsContact O-CB 3.31Å; I224-K227 WeakPolarHBondContact O-CB 3.46Å; I224-K227 PolarHBondContact O-N 3.23Å; I224-K227 VanDerWaalsContact O-N 3.09Å; Q225-K227 PolarHBondContact O-N 3.05Å; K227-H229 PolarHBondContact O-N 3.06Å; K227-N230 PolarHBondContact O-N 3.15Å; K227-L231 PolarHBondContact O-N 3.39Å; K227-D462 IonicContact NZ-OD1 3.16Å; K227-D462 PolarHBondContact NZ-OD1 2.81Å; K227-D462 IonicContact NZ-OD2 2.85Å; K227-D462 PolarHBondContact NZ-OD2 2.89Å; K227-Y464 VanDerWaalsContact CE-OH 3.29Å; K227-Y464 WeakPolarHBondContact CE-OH 3.42Å
228	D	51.5	Low	53.7	Low	120 Å²	120	100.6 Å²	100.6	64%	0.642	52%	0.522	S	S	*	.	H	α-helix	trans	-60.4	-28.9	178.6	-82.3	-17.9	0	0	0	111.9	Q225	Q225-D228 PolarHBondContact O-N 2.95Å
229	H	39.4	Very low	50.8	Low	168 Å²	168	106 Å²	106	78%	0.778	55%	0.551	S	S	*	*	H	α-helix	trans	-86.9	-19.6	174.4	-75.2	-59.3	0	0	0	115	K227	K227-H229 PolarHBondContact O-N 3.06Å
230	N	35.5	Very low	48.1	Very low	121 Å²	121	110.4 Å²	110.4	65%	0.647	58%	0.581	S	S	*	*			trans	-107.6	14.2	-175.5	-76.4	-51.1	0	0	0	113.9	S226 K227 P232	S226-N230 WeakPolarHBondContact O-CB 3.42Å; S226-N230 PolarHBondContact O-N 2.86Å; S226-N230 PolarHBondContact O-ND2 3.09Å; K227-N230 PolarHBondContact O-N 3.15Å; N230-P232 WeakPolarHBondContact O-CD 3.42Å; N230-P232 VanDerWaalsContact O-N 3.09Å
231	L	32	Very low	45.6	Very low	130 Å²	130	115.1 Å²	115.1	68%	0.681	61%	0.614	S	S	*	*			trans	-62.9	107.4	167	-87.5	143.9	0	0	0	108.3	K227 E233	K227-L231 PolarHBondContact O-N 3.39Å; L231-E233 PolarHBondContact O-N 3.46Å
232	P	31.8	Very low	43	Very low	100 Å²	100	121 Å²	121	65%	0.649	64%	0.64	S	S	*	*			trans	-64	133.6	173	-11	28.8	0	0	0	106.7	N230 L234	N230-P232 WeakPolarHBondContact O-CD 3.42Å; N230-P232 VanDerWaalsContact O-N 3.09Å; P232-L234 VanDerWaalsContact C-N 3.33Å; P232-L234 PolarHBondContact O-N 2.94Å
233	E	28.4	Very low	40.5	Very low	194 Å²	194	117.7 Å²	117.7	91%	0.907	64%	0.641	S	S	*	*			trans	-52.5	102.9	166.1	-73.1	-177.1	158.4	0	0	107.4	L231 S235	L231-E233 PolarHBondContact O-N 3.46Å; E233-S235 VanDerWaalsContact C-N 3.27Å; E233-S235 PolarHBondContact O-N 3.39Å
234	L	29.3	Very low	38.6	Very low	164 Å²	164	122.8 Å²	122.8	86%	0.859	66%	0.664	S	S	*	*			trans	-67.7	96	179.1	-141.1	85.8	0	0	0	106.2	P232 K236	P232-L234 VanDerWaalsContact C-N 3.33Å; P232-L234 PolarHBondContact O-N 2.94Å; L234-K236 PolarHBondContact O-N 3.28Å; L234-K236 VanDerWaalsContact O-N 3.13Å
235	S	28	Very low	36.8	Very low	99 Å²	99	126 Å²	126	69%	0.692	68%	0.682	S	S	*	*			trans	-49.8	120.2	171.4	51.2	0	0	0	0	107.9	E233 S237	E233-S235 VanDerWaalsContact C-N 3.27Å; E233-S235 PolarHBondContact O-N 3.39Å; S235-S237 VanDerWaalsContact C-N 3.25Å; S235-S237 PolarHBondContact O-N 2.63Å
236	K	25.3	Very low	35.4	Very low	199 Å²	199	123.9 Å²	123.9	87%	0.865	68%	0.678	S	S	*	*			trans	-56.8	86.9	173	-66.5	174.2	178.3	176.7	0	109.3	L234 E238	L234-K236 PolarHBondContact O-N 3.28Å; L234-K236 VanDerWaalsContact O-N 3.13Å; K236-E238 PolarHBondContact O-N 2.73Å
237	S	28.7	Very low	34.7	Very low	97 Å²	97	128.2 Å²	128.2	68%	0.678	69%	0.686	S	S	*	*			trans	-83.4	93.1	166.9	60.4	0	0	0	0	107.4	S235 N239	S235-S237 VanDerWaalsContact C-N 3.25Å; S235-S237 PolarHBondContact O-N 2.63Å; S237-N239 PolarHBondContact O-N 3.47Å; S237-N239 VanDerWaalsContact O-N 3.09Å
238	E	26.8	Very low	34.8	Very low	168 Å²	168	129.7 Å²	129.7	79%	0.785	70%	0.696	S	S	*	*			trans	-66.2	93.8	165.2	-65.7	179.5	166.2	0	0	108.7	K236	K236-E238 PolarHBondContact O-N 2.73Å
239	N	28.3	Very low	35.7	Very low	137 Å²	137	127.2 Å²	127.2	73%	0.733	68%	0.681	S	S	*	*			trans	-117.8	93.4	163.6	-80.7	-23.2	0	0	0	108.9	S237 S241	S237-N239 PolarHBondContact O-N 3.47Å; S237-N239 VanDerWaalsContact O-N 3.09Å; N239-S241 PolarHBondContact O-N 3.08Å
240	P	29.5	Very low	37	Very low	125 Å²	125	120.9 Å²	120.9	81%	0.812	65%	0.654	S	S	*	*			trans	-89.4	80.7	175.3	34.6	-28.9	0	0	0	109.5
241	S	30.8	Very low	38.7	Very low	112 Å²	112	118.6 Å²	118.6	78%	0.783	65%	0.648	S	S	*	*			trans	-164.2	53.9	165.2	66.5	0	0	0	0	111.8	N239	N239-S241 PolarHBondContact O-N 3.08Å
242	E	32.1	Very low	40.8	Very low	147 Å²	147	118.7 Å²	118.7	69%	0.687	65%	0.654	S	S	*	*			trans	-94.9	118	173.2	-72.7	-169.9	175.3	0	0	110.7
243	S	32	Very low	43.1	Very low	83 Å²	83	115.9 Å²	115.9	58%	0.58	64%	0.635	S	S	*	*			trans	-47.7	144.1	175.5	46.2	0	0	0	0	112.8	D245 S246	S243-D245 PolarHBondContact O-N 3.48Å; S243-S246 PolarHBondContact O-N 2.67Å; S243-S246 PolarHBondContact O-OG 3.06Å
244	L	34.2	Very low	45.6	Very low	147 Å²	147	109.6 Å²	109.6	77%	0.77	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-48.3	-25.1	-177.7	-166.8	66.3	0	0	0	114.8	S246	L244-S246 VanDerWaalsContact C-N 3.34Å; L244-S246 PolarHBondContact O-N 2.72Å
245	D	36.6	Very low	48	Very low	128 Å²	128	109.1 Å²	109.1	68%	0.684	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-72.4	-18.2	-179.7	-65.2	-29.4	0	0	0	114.6	S243 Y247	S243-D245 PolarHBondContact O-N 3.48Å; D245-Y247 PolarHBondContact O-N 3.19Å
246	S	42.9	Very low	50.4	Low	52 Å²	52	107.5 Å²	107.5	36%	0.364	62%	0.616	S	S	.	*	G	3₁₀ helix	trans	-71.5	-14.9	-179.4	67.6	0	0	0	0	113.8	S243 L244	S243-S246 PolarHBondContact O-N 2.67Å; S243-S246 PolarHBondContact O-OG 3.06Å; L244-S246 VanDerWaalsContact C-N 3.34Å; L244-S246 PolarHBondContact O-N 2.72Å
247	Y	48.7	Very low	53.2	Low	151 Å²	151	100.8 Å²	100.8	59%	0.592	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-83.7	-12.5	-175.8	-69.7	-82.8	0	0	0	114.5	D245 R339	D245-Y247 PolarHBondContact O-N 3.19Å; Y247-R339 PolarHBondContact O-NH1 2.92Å
248	I	59	Low	56	Low	82 Å²	82	98.5 Å²	98.5	42%	0.421	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-106.7	-28.5	-167.8	-59.3	177.7	0	0	0	112.7	P342	I248-P342 HydrophobicContact CG2-CG 3.26Å
249	M	70.7	Confident	58.9	Low	68 Å²	68	90.9 Å²	90.9	34%	0.335	53%	0.533	S	S	.	.	S	Bend	trans	-95.4	159.1	-178.9	-74.3	-70.4	98.3	0	0	112.6	S251 L341 P342	M249-S251 PolarHBondContact O-N 2.96Å; M249-L341 HydrophobicContact CE-CD2 3.61Å; M249-L341 HydrophobicContact SD-CD2 4.5Å; M249-P342 HydrophobicContact CE-CG 3.71Å
250	P	66.5	Low	61.8	Low	34 Å²	34	84.9 Å²	84.9	22%	0.221	50%	0.502	C	S	.	.	P	Polyproline II helix	trans	-56.1	135.9	168.5	-12.5	23.8	0	0	0	109.2	V252 L341 F393	P250-V252 PolarHBondContact O-N 2.49Å; P250-L341 HydrophobicContact CG-CD2 4.38Å; P250-F393 HydrophobicContact CB-CD2 3.96Å; P250-F393 HydrophobicContact CB-CE2 3.97Å; P250-F393 HydrophobicContact CB-CG 4.25Å; P250-F393 HydrophobicContact CB-CZ 4.29Å; P250-F393 HydrophobicContact CG-CB 4.49Å; P250-F393 HydrophobicContact CG-CD1 3.95Å; P250-F393 HydrophobicContact CG-CD2 4.18Å; P250-F393 HydrophobicContact CG-CE1 4.13Å; P250-F393 HydrophobicContact CG-CE2 4.35Å; P250-F393 HydrophobicContact CG-CG 3.96Å; P250-F393 HydrophobicContact CG-CZ 4.32Å
251	S	70.1	Confident	64.6	Low	74 Å²	74	83.6 Å²	83.6	52%	0.517	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-58.1	135.9	170.8	40.2	0	0	0	0	109.3	M249 P260	M249-S251 PolarHBondContact O-N 2.96Å; S251-P260 WeakPolarHBondContact O-CB 3.24Å; S251-P260 WeakPolarHBondContact OG-CB 3.23Å
252	V	76.4	Confident	67.4	Low	131 Å²	131	81.1 Å²	81.1	79%	0.794	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-64.8	134.3	173.2	-177.3	0	0	0	0	107.6	P250 S254	P250-V252 PolarHBondContact O-N 2.49Å; V252-S254 PolarHBondContact O-N 3.07Å
253	P	80.3	Confident	70.1	Confident	41 Å²	41	77.1 Å²	77.1	27%	0.266	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-52.8	139.6	174	-24.1	32.2	0	0	0	111	H257	P253-H257 HydrophobicContact CB-CB 4.11Å; P253-H257 WeakPolarHBondContact CB-O 3.34Å
254	S	82	Confident	72.8	Confident	62 Å²	62	77 Å²	77	43%	0.434	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-59.5	159.2	171.8	40.7	0	0	0	0	110.9	V252 G256 H257	V252-S254 PolarHBondContact O-N 3.07Å; S254-G256 PolarHBondContact O-N 2.87Å; S254-G256 VanDerWaalsContact O-N 3.15Å; S254-H257 WeakPolarHBondContact O-CB 3.46Å; S254-H257 PolarHBondContact O-N 3.34Å; S254-H257 PolarHBondContact OG-CD2 3.47Å; S254-H257 PolarHBondContact OG-CE1 3.39Å; S254-H257 PolarHBondContact OG-ND1 3.09Å; S254-H257 VanDerWaalsContact OG-ND1 3.09Å
255	V	78.7	Confident	75.3	Confident	154 Å²	154	77.7 Å²	77.7	93%	0.933	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	124	178.8	-179.1	0	0	0	0	109.9
256	G	78.7	Confident	77.7	Confident	66 Å²	66	75.8 Å²	75.8	68%	0.68	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.1	-7.2	-176.6	0	0	0	0	0	115	S254 Y464	S254-G256 PolarHBondContact O-N 2.87Å; S254-G256 VanDerWaalsContact O-N 3.15Å; G256-Y464 WeakPolarHBondContact O-CB 3.37Å
257	H	84.2	Confident	79.9	Confident	57 Å²	57	75 Å²	75	26%	0.264	43%	0.432	S	S	.	.			trans	-93.4	143.1	177	-70.1	-148.1	0	0	0	111.4	P253 S254 E261 S463	P253-H257 HydrophobicContact CB-CB 4.11Å; P253-H257 WeakPolarHBondContact CB-O 3.34Å; S254-H257 WeakPolarHBondContact O-CB 3.46Å; S254-H257 PolarHBondContact O-N 3.34Å; S254-H257 PolarHBondContact OG-CD2 3.47Å; S254-H257 PolarHBondContact OG-CE1 3.39Å; S254-H257 PolarHBondContact OG-ND1 3.09Å; S254-H257 VanDerWaalsContact OG-ND1 3.09Å; H257-E261 IonicContact CE1-OE1 3.5Å; H257-E261 PolarHBondContact CE1-OE1 2.97Å; H257-E261 IonicContact ND1-OE1 3.65Å; H257-S463 PolarHBondContact CE1-OG 3.48Å; H257-S463 WeakPolarHBondContact ND1-CB 3.41Å; H257-S463 PolarHBondContact ND1-OG 3Å
258	V	86.7	Confident	81.7	Confident	49 Å²	49	68.4 Å²	68.4	30%	0.297	41%	0.407	S	S	.	.	S	Bend	trans	-87	-32.1	174.7	179.5	0	0	0	0	110.7	Q325 S463 Y464 A466	V258-Q325 PolarHBondContact O-NE2 3.45Å; V258-Q325 PolarHBondContact O-OE1 2.98Å; V258-Q325 VanDerWaalsContact O-OE1 3.14Å; V258-S463 WeakPolarHBondContact CA-O 3.4Å; V258-S463 PolarHBondContact N-O 2.73Å; V258-Y464 WeakPolarHBondContact CG2-O 3.47Å; V258-A466 HydrophobicContact CG1-CB 4.38Å
259	Y	89.6	Confident	83.1	Confident	8 Å²	8	66.6 Å²	66.6	3%	0.031	40%	0.404	C	S	.	.	S	Bend	trans	-127.8	150.2	-177.8	-62.2	-71.5	0	0	0	111.3	L324 N328 R329 W461 S463 S465	Y259-L324 WeakPolarHBondContact CE1-O 3.38Å; Y259-N328 WeakPolarHBondContact CB-OD1 3.37Å; Y259-R329 HydrophobicContact CD1-CG 4.47Å; Y259-R329 HydrophobicContact CD2-CG 3.38Å; Y259-R329 HydrophobicContact CE2-CG 3.89Å; Y259-R329 HydrophobicContact CG-CG 3.71Å; Y259-W461 HydrophobicContact CE2-CZ2 4.3Å; Y259-S463 PolarHBondContact N-O 2.81Å; Y259-S463 WeakPolarHBondContact O-CB 3.48Å; Y259-S465 WeakPolarHBondContact CE2-O 3.4Å
260	P	87.5	Confident	83.9	Confident	12 Å²	12	65.6 Å²	65.6	8%	0.078	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-65.6	150.5	171.2	26.5	-30.5	0	0	0	111.7	S251 N328 R329	S251-P260 WeakPolarHBondContact O-CB 3.24Å; S251-P260 WeakPolarHBondContact OG-CB 3.23Å; P260-N328 PolarHBondContact O-ND2 2.63Å; P260-N328 PolarHBondContact O-OD1 3.01Å; P260-N328 VanDerWaalsContact O-OD1 3.08Å; P260-R329 PolarHBondContact O-NH2 3.48Å; P260-R329 VanDerWaalsContact O-NH2 3.1Å
261	E	88.1	Confident	84.8	Confident	98 Å²	98	64.1 Å²	64.1	46%	0.458	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-68.6	146.8	174.5	-72.8	-62.8	175.1	0	0	112.3	H257 R329 S463	H257-E261 IonicContact CE1-OE1 3.5Å; H257-E261 PolarHBondContact CE1-OE1 2.97Å; H257-E261 IonicContact ND1-OE1 3.65Å; E261-R329 IonicContact OE2-CZ 3.99Å; E261-R329 IonicContact OE2-NH1 2.81Å; E261-R329 IonicContact OE2-NH2 3.77Å; E261-R329 PolarHBondContact OE2-NH2 3.41Å; E261-S463 WeakPolarHBondContact OE1-CB 3.46Å; E261-S463 PolarHBondContact OE1-OG 3.06Å
262	Y	91	Very high	85.5	Confident	59 Å²	59	62.9 Å²	62.9	23%	0.231	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-68.9	146.1	173	-66.2	-40.1	0	0	0	110.9	N328 R329 V394 V395 V397	Y262-N328 WeakPolarHBondContact CD1-ND2 3.13Å; Y262-N328 HydrophobicContact CE1-CB 4.3Å; Y262-N328 WeakPolarHBondContact CE1-ND2 3.35Å; Y262-N328 WeakPolarHBondContact CE1-O 3.41Å; Y262-N328 PolarHBondContact OH-O 3.32Å; Y262-R329 VanDerWaalsContact OH-C 3.23Å; Y262-R329 WeakPolarHBondContact OH-CB 3.33Å; Y262-R329 PolarHBondContact OH-O 2.71Å; Y262-V394 HydrophobicContact CE1-CG1 4.14Å; Y262-V395 WeakPolarHBondContact CA-O 3.33Å; Y262-V397 HydrophobicContact CE1-CG2 4.29Å; Y262-V397 HydrophobicContact CE2-CB 4.48Å; Y262-V397 HydrophobicContact CE2-CG2 3.98Å; Y262-V397 VanDerWaalsContact OH-CG2 3.27Å; Y262-V397 WeakPolarHBondContact OH-CG2 3.47Å
263	L	89.4	Confident	85.8	Confident	64 Å²	64	66 Å²	66	34%	0.335	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-67.9	146.4	173.9	-62.6	178.2	0	0	0	110.4	A267 L268 F277 V395	L263-A267 HydrophobicContact CB-CB 4.34Å; L263-L268 HydrophobicContact CB-CD2 3.86Å; L263-L268 HydrophobicContact CB-CG 4.22Å; L263-L268 HydrophobicContact CD1-CD2 4.45Å; L263-F277 HydrophobicContact CD1-CE1 4.29Å; L263-F277 HydrophobicContact CD1-CE2 3.96Å; L263-F277 HydrophobicContact CD1-CZ 3.43Å; L263-F277 VanDerWaalsContact CD1-CZ 3.43Å; L263-V395 HydrophobicContact CD1-CB 3.99Å; L263-V395 HydrophobicContact CD1-CG1 4.48Å; L263-V395 HydrophobicContact CD1-CG2 4.39Å; L263-V395 HydrophobicContact CG-CB 4.34Å; L263-V395 PolarHBondContact N-O 2.96Å
264	P	88.4	Confident	86	Confident	80 Å²	80	66.9 Å²	66.9	52%	0.519	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-63	151.1	177.7	25.8	-33.8	0	0	0	111.4	S266 A267 L268	P264-S266 PolarHBondContact O-N 2.88Å; P264-A267 HydrophobicContact CG-CB 3.9Å; P264-A267 WeakPolarHBondContact O-CA 3.1Å; P264-A267 WeakPolarHBondContact O-CB 3.44Å; P264-A267 PolarHBondContact O-N 3.46Å; P264-L268 PolarHBondContact O-N 3.21Å
265	E	86.1	Confident	85.8	Confident	161 Å²	161	64.1 Å²	64.1	75%	0.752	37%	0.371	S	S	*	.	H	α-helix	trans	-52.1	-36.4	-176.1	-68	-174.7	168.8	0	0	113.7	L268 A269	E265-L268 PolarHBondContact O-N 2.79Å; E265-A269 WeakPolarHBondContact O-CB 3.41Å; E265-A269 PolarHBondContact O-N 3.01Å
266	S	86	Confident	86	Confident	89 Å²	89	62.4 Å²	62.4	62%	0.622	35%	0.353	S	S	*	.	H	α-helix	trans	-64.9	-38.7	177.6	56.5	0	0	0	0	112.6	P264 A270	P264-S266 PolarHBondContact O-N 2.88Å; S266-A270 WeakPolarHBondContact O-CB 3.47Å; S266-A270 PolarHBondContact O-N 3.01Å
267	A	89	Confident	86.5	Confident	34 Å²	34	59.5 Å²	59.5	28%	0.281	32%	0.321	S	S	.	.	H	α-helix	trans	-72.2	-40.3	176.4	0	0	0	0	0	111.1	L263 P264 A269 A270 G271	L263-A267 HydrophobicContact CB-CB 4.34Å; P264-A267 HydrophobicContact CG-CB 3.9Å; P264-A267 WeakPolarHBondContact O-CA 3.1Å; P264-A267 WeakPolarHBondContact O-CB 3.44Å; P264-A267 PolarHBondContact O-N 3.46Å; A267-A269 PolarHBondContact O-N 3.16Å; A267-A270 PolarHBondContact O-N 3.01Å; A267-G271 PolarHBondContact O-N 3.47Å
268	L	88.2	Confident	86.7	Confident	14 Å²	14	57.1 Å²	57.1	7%	0.073	31%	0.31	C	S	.	.	H	α-helix	trans	-58.7	-47.9	172.6	-63.4	178.4	0	0	0	110.8	L263 P264 E265 A270 G271 L272 F277 V337 V395	L263-L268 HydrophobicContact CB-CD2 3.86Å; L263-L268 HydrophobicContact CB-CG 4.22Å; L263-L268 HydrophobicContact CD1-CD2 4.45Å; P264-L268 PolarHBondContact O-N 3.21Å; E265-L268 PolarHBondContact O-N 2.79Å; L268-A270 PolarHBondContact O-N 2.98Å; L268-G271 PolarHBondContact O-N 3.17Å; L268-L272 WeakPolarHBondContact O-CB 3.28Å; L268-L272 VanDerWaalsContact O-CG 3.25Å; L268-L272 WeakPolarHBondContact O-CG 3.45Å; L268-L272 PolarHBondContact O-N 3.44Å; L268-F277 HydrophobicContact CD2-CE2 4.49Å; L268-V337 HydrophobicContact CD2-CB 4.1Å; L268-V337 HydrophobicContact CD2-CG1 4.03Å; L268-V337 HydrophobicContact CD2-CG2 4.42Å; L268-V395 HydrophobicContact CD2-CG2 3.92Å
269	A	87.1	Confident	86.9	Confident	44 Å²	44	58.4 Å²	58.4	36%	0.364	31%	0.312	S	S	.	.	H	α-helix	trans	-65.6	-36.2	178.3	0	0	0	0	0	113.3	E265 A267 R273	E265-A269 WeakPolarHBondContact O-CB 3.41Å; E265-A269 PolarHBondContact O-N 3.01Å; A267-A269 PolarHBondContact O-N 3.16Å; A269-R273 WeakPolarHBondContact O-CB 3.39Å; A269-R273 VanDerWaalsContact O-CG 3.31Å; A269-R273 WeakPolarHBondContact O-CG 3.46Å; A269-R273 PolarHBondContact O-N 3.46Å; A269-R273 VanDerWaalsContact O-N 3.15Å; A269-R273 PolarHBondContact O-NE 3.44Å
270	A	87.1	Confident	87	Confident	46 Å²	46	58 Å²	58	38%	0.38	31%	0.31	S	S	.	.	H	α-helix	trans	-67.8	-45.6	174.3	0	0	0	0	0	111.5	S266 A267 L268 R273 S274	S266-A270 WeakPolarHBondContact O-CB 3.47Å; S266-A270 PolarHBondContact O-N 3.01Å; A267-A270 PolarHBondContact O-N 3.01Å; L268-A270 PolarHBondContact O-N 2.98Å; A270-R273 PolarHBondContact O-N 3.22Å; A270-S274 WeakPolarHBondContact O-CB 3.37Å; A270-S274 PolarHBondContact O-N 3.42Å; A270-S274 PolarHBondContact O-OG 3.49Å
271	G	85.6	Confident	87.4	Confident	4 Å²	4	60.2 Å²	60.2	4%	0.041	32%	0.321	C	S	.	.	H	α-helix	trans	-67.7	-36.9	-180	0	0	0	0	0	113.1	A267 L268 S274 G275 Q276 F277	A267-G271 PolarHBondContact O-N 3.47Å; L268-G271 PolarHBondContact O-N 3.17Å; G271-S274 WeakPolarHBondContact CA-OG 3.47Å; G271-S274 PolarHBondContact O-N 3.08Å; G271-S274 PolarHBondContact O-OG 3.33Å; G271-G275 PolarHBondContact O-N 3.22Å; G271-G275 VanDerWaalsContact O-N 3.13Å; G271-Q276 PolarHBondContact O-N 2.91Å; G271-F277 PolarHBondContact O-N 3.37Å
272	L	86.3	Confident	87.8	Confident	48 Å²	48	55.5 Å²	55.5	25%	0.251	30%	0.299	S	S	.	.	H	α-helix	trans	-62.4	-46.5	171	-73.5	170.1	0	0	0	111.7	L268 S274 G275 F277 K279 V337 I398	L268-L272 WeakPolarHBondContact O-CB 3.28Å; L268-L272 VanDerWaalsContact O-CG 3.25Å; L268-L272 WeakPolarHBondContact O-CG 3.45Å; L268-L272 PolarHBondContact O-N 3.44Å; L272-S274 VanDerWaalsContact C-N 3.3Å; L272-S274 PolarHBondContact O-N 3.22Å; L272-G275 PolarHBondContact O-N 3.44Å; L272-G275 VanDerWaalsContact O-N 3.12Å; L272-F277 HydrophobicContact CD2-CB 4.01Å; L272-F277 HydrophobicContact CG-CB 4.27Å; L272-K279 HydrophobicContact CD2-CB 3.85Å; L272-V337 HydrophobicContact CD1-CG2 4.14Å; L272-V337 HydrophobicContact CD2-CG1 4.11Å; L272-V337 HydrophobicContact CG-CG1 4.3Å; L272-I398 HydrophobicContact CD1-CD1 4.38Å
273	R	83	Confident	88	Confident	197 Å²	197	56.9 Å²	56.9	74%	0.743	31%	0.307	S	S	*	.	H	α-helix	trans	-63.8	-33.7	177.3	-77.3	-175.7	-67.4	156.6	-2.1	113.3	A269 A270 G275	A269-R273 WeakPolarHBondContact O-CB 3.39Å; A269-R273 VanDerWaalsContact O-CG 3.31Å; A269-R273 WeakPolarHBondContact O-CG 3.46Å; A269-R273 PolarHBondContact O-N 3.46Å; A269-R273 VanDerWaalsContact O-N 3.15Å; A269-R273 PolarHBondContact O-NE 3.44Å; A270-R273 PolarHBondContact O-N 3.22Å; R273-G275 VanDerWaalsContact C-N 3.28Å
274	S	82.9	Confident	88.3	Confident	59 Å²	59	54.2 Å²	54.2	41%	0.413	29%	0.294	S	S	.	.	H	α-helix	trans	-78.2	-11.1	176.2	71	0	0	0	0	113.9	A270 G271 L272 Q276	A270-S274 WeakPolarHBondContact O-CB 3.37Å; A270-S274 PolarHBondContact O-N 3.42Å; A270-S274 PolarHBondContact O-OG 3.49Å; G271-S274 WeakPolarHBondContact CA-OG 3.47Å; G271-S274 PolarHBondContact O-N 3.08Å; G271-S274 PolarHBondContact O-OG 3.33Å; L272-S274 VanDerWaalsContact C-N 3.3Å; L272-S274 PolarHBondContact O-N 3.22Å; S274-Q276 PolarHBondContact O-N 2.89Å; S274-Q276 WeakPolarHBondContact OG-CB 3.36Å; S274-Q276 VanDerWaalsContact OG-CG 3.32Å; S274-Q276 WeakPolarHBondContact OG-CG 3.45Å; S274-Q276 PolarHBondContact OG-N 3.1Å
275	G	77.8	Confident	88.5	Confident	4 Å²	4	51.8 Å²	51.8	4%	0.041	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.6	5.5	-172.5	0	0	0	0	0	114.9	G271 L272 R273 F277	G271-G275 PolarHBondContact O-N 3.22Å; G271-G275 VanDerWaalsContact O-N 3.13Å; L272-G275 PolarHBondContact O-N 3.44Å; L272-G275 VanDerWaalsContact O-N 3.12Å; R273-G275 VanDerWaalsContact C-N 3.28Å; G275-F277 VanDerWaalsContact C-N 3.27Å; G275-F277 PolarHBondContact O-N 3.02Å
276	Q	83.3	Confident	88.6	Confident	117 Å²	117	50.8 Å²	50.8	55%	0.547	27%	0.268	S	S	.	.	S	Bend	trans	-69.9	-25.3	173.9	-73.1	-177.8	0.2	0	0	113.1	G271 S274	G271-Q276 PolarHBondContact O-N 2.91Å; S274-Q276 PolarHBondContact O-N 2.89Å; S274-Q276 WeakPolarHBondContact OG-CB 3.36Å; S274-Q276 VanDerWaalsContact OG-CG 3.32Å; S274-Q276 WeakPolarHBondContact OG-CG 3.45Å; S274-Q276 PolarHBondContact OG-N 3.1Å
277	F	88.8	Confident	88.6	Confident	5 Å²	5	50.6 Å²	50.6	2%	0.022	26%	0.256	C	S	.	.	S	Bend	trans	-117.7	154.1	176.2	-60.1	-40.2	0	0	0	111	L263 L268 G271 L272 G275 V337 V338 R339 V395	L263-F277 HydrophobicContact CD1-CE1 4.29Å; L263-F277 HydrophobicContact CD1-CE2 3.96Å; L263-F277 HydrophobicContact CD1-CZ 3.43Å; L263-F277 VanDerWaalsContact CD1-CZ 3.43Å; L268-F277 HydrophobicContact CD2-CE2 4.49Å; G271-F277 PolarHBondContact O-N 3.37Å; L272-F277 HydrophobicContact CD2-CB 4.01Å; L272-F277 HydrophobicContact CG-CB 4.27Å; G275-F277 VanDerWaalsContact C-N 3.27Å; G275-F277 PolarHBondContact O-N 3.02Å; F277-V337 HydrophobicContact CB-CG1 3.48Å; F277-V337 VanDerWaalsContact CB-CG1 3.48Å; F277-V337 HydrophobicContact CD2-CG1 4.02Å; F277-V337 HydrophobicContact CG-CG1 3.83Å; F277-V338 WeakPolarHBondContact CA-O 3.39Å; F277-R339 HydrophobicContact CD1-CB 3.95Å; F277-R339 HydrophobicContact CD1-CG 4.43Å; F277-R339 HydrophobicContact CE1-CB 4.02Å; F277-R339 HydrophobicContact CE1-CG 4.38Å; F277-R339 VanDerWaalsContact CE1-CZ 3.41Å; F277-V395 HydrophobicContact CD1-CG2 4.02Å; F277-V395 HydrophobicContact CE1-CG1 4.32Å; F277-V395 HydrophobicContact CE1-CG2 3.9Å; F277-V395 HydrophobicContact CG-CG2 4.39Å; F277-V395 HydrophobicContact CZ-CG2 4.25Å
278	L	89.1	Confident	88.6	Confident	7 Å²	7	51 Å²	51	4%	0.037	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	141.1	178.6	-58.7	172.3	0	0	0	109	L297 A302 L309 I319 V337 V338	L278-L297 HydrophobicContact CB-CD2 3.83Å; L278-A302 HydrophobicContact CD2-CB 3.64Å; L278-L309 HydrophobicContact CD1-CD2 3.75Å; L278-I319 HydrophobicContact CB-CD1 4.29Å; L278-I319 HydrophobicContact CD1-CD1 3.41Å; L278-I319 VanDerWaalsContact CD1-CD1 3.41Å; L278-I319 HydrophobicContact CG-CD1 4.47Å; L278-V337 WeakPolarHBondContact O-CA 3.35Å; L278-V338 HydrophobicContact CB-CG2 4.05Å; L278-V338 PolarHBondContact N-O 2.88Å; L278-V338 PolarHBondContact O-N 3.1Å
279	K	91.4	Very high	88.6	Confident	76 Å²	76	51.4 Å²	51.4	33%	0.33	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	135.7	-180	-178.4	-177.4	173.1	-176.3	0	110.1	L272 T298 V335 V336 I398	L272-K279 HydrophobicContact CD2-CB 3.85Å; K279-T298 PolarHBondContact O-N 3.33Å; K279-T298 PolarHBondContact O-OG1 3.26Å; K279-V335 HydrophobicContact CD-CG1 4.44Å; K279-V335 HydrophobicContact CG-CG1 4.2Å; K279-V336 WeakPolarHBondContact CA-O 3.36Å; K279-I398 HydrophobicContact CD-CD1 3.63Å; K279-I398 HydrophobicContact CG-CD1 3.89Å
280	G	91.9	Very high	88.7	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	179.1	176.9	0	0	0	0	0	114	A296 V335 V336	G280-A296 CarbonylContact C-O 3.59Å; G280-A296 WeakPolarHBondContact CA-O 3.47Å; G280-V335 CarbonylContact O-C 3.55Å; G280-V335 WeakPolarHBondContact O-CA 3.42Å; G280-V336 PolarHBondContact N-O 3.38Å; G280-V336 PolarHBondContact O-N 2.79Å
281	I	95.5	Very high	88.7	Confident	58 Å²	58	53.6 Å²	53.6	30%	0.297	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	128.1	175.5	-58.1	174.3	0	0	0	108.5	V295 A296 T298 D334 V335	I281-V295 CarbonylContact O-C 3.5Å; I281-V295 VanDerWaalsContact O-CA 3.31Å; I281-V295 WeakPolarHBondContact O-CA 3.32Å; I281-A296 PolarHBondContact N-O 3.01Å; I281-A296 PolarHBondContact O-N 2.98Å; I281-T298 HydrophobicContact CD1-CG2 4.24Å; I281-T298 HydrophobicContact CG1-CG2 3.91Å; I281-D334 WeakPolarHBondContact CA-O 3.36Å; I281-V335 HydrophobicContact CG1-CG2 4.44Å
282	L	96.6	Very high	89	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	130	177.3	-175.4	68.3	0	0	0	110.8	V284 A293 M294 V295 I321 R327 A330 G333 D334 V336	L282-V284 HydrophobicContact CD2-CG2 4.37Å; L282-V284 HydrophobicContact CG-CG2 4.38Å; L282-A293 HydrophobicContact CD1-CB 3.77Å; L282-M294 CarbonylContact C-O 3.44Å; L282-V295 HydrophobicContact CB-CG2 4.38Å; L282-V295 HydrophobicContact CD1-CG2 3.52Å; L282-I321 HydrophobicContact CD1-CG1 4.16Å; L282-R327 HydrophobicContact CD2-CG 3.9Å; L282-A330 HydrophobicContact CD2-CB 3.53Å; L282-G333 WeakPolarHBondContact O-CA 3.49Å; L282-G333 PolarHBondContact O-N 3.16Å; L282-D334 PolarHBondContact N-O 3.06Å; L282-V336 HydrophobicContact CB-CG1 4.12Å; L282-V336 HydrophobicContact CB-CG2 4.16Å
283	H	95.3	Very high	89.4	Confident	87 Å²	87	52.5 Å²	52.5	40%	0.403	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	107.1	175.7	-66.6	-58.8	0	0	0	109.4	A293 M294 D332	H283-A293 CarbonylContact O-C 3.6Å; H283-A293 VanDerWaalsContact O-CA 3.29Å; H283-A293 WeakPolarHBondContact O-CA 3.38Å; H283-M294 PolarHBondContact N-O 3.01Å; H283-M294 PolarHBondContact O-N 2.81Å; H283-D332 VanDerWaalsContact CA-OD1 3.3Å; H283-D332 WeakPolarHBondContact CA-OD1 3.42Å
284	V	95.4	Very high	89.8	Confident	9 Å²	9	45.3 Å²	45.3	6%	0.055	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	136.9	178.9	179.9	0	0	0	0	109.6	L282 R286 P289 A293 D332 R435	L282-V284 HydrophobicContact CD2-CG2 4.37Å; L282-V284 HydrophobicContact CG-CG2 4.38Å; V284-R286 PolarHBondContact O-N 3.46Å; V284-P289 HydrophobicContact CG1-CB 3.87Å; V284-A293 HydrophobicContact CG2-CB 4.17Å; V284-D332 HydrophobicContact CB-CB 4.09Å; V284-D332 HydrophobicContact CG2-CB 3.99Å; V284-D332 PolarHBondContact N-OD1 3.05Å; V284-R435 HydrophobicContact CB-CB 4.16Å; V284-R435 HydrophobicContact CB-CG 4.29Å; V284-R435 HydrophobicContact CG1-CB 4.14Å; V284-R435 HydrophobicContact CG1-CG 4.27Å; V284-R435 WeakPolarHBondContact O-CD 3.34Å
285	S	92.1	Very high	90.3	Very high	28 Å²	28	42.5 Å²	42.5	20%	0.196	21%	0.207	C	C	.	.			trans	-61.9	128.3	177.8	179.5	0	0	0	0	111	F287 R288 P289 E292	S285-F287 PolarHBondContact O-N 3.12Å; S285-F287 PolarHBondContact OG-N 3.31Å; S285-R288 PolarHBondContact OG-N 2.85Å; S285-R288 VanDerWaalsContact OG-N 3.1Å; S285-P289 VanDerWaalsContact O-CA 3.3Å; S285-P289 WeakPolarHBondContact O-CA 3.41Å; S285-P289 WeakPolarHBondContact O-CB 3.17Å; S285-E292 WeakPolarHBondContact CB-O 3.49Å; S285-E292 PolarHBondContact N-O 3.39Å
286	R	87.3	Confident	90.9	Very high	140 Å²	140	43.6 Å²	43.6	53%	0.528	22%	0.216	S	C	.	.	S	Bend	trans	-64.2	-28.5	173.3	-68.4	-177.5	-176.1	-178.5	0.9	112.8	V284 R435	V284-R286 PolarHBondContact O-N 3.46Å; R286-R435 HydrophobicContact CG-CG 4.19Å
287	F	87.2	Confident	91.1	Very high	86 Å²	86	39.3 Å²	39.3	38%	0.377	20%	0.197	S	C	.	.	S	Bend	trans	-97.6	-27.7	-174.5	-55	-55.2	0	0	0	112.9	S285 P289 S354 Q356 E357	S285-F287 PolarHBondContact O-N 3.12Å; S285-F287 PolarHBondContact OG-N 3.31Å; F287-P289 VanDerWaalsContact C-CD 3.5Å; F287-S354 PolarHBondContact O-OG 3.22Å; F287-Q356 WeakPolarHBondContact O-CB 3.42Å; F287-E357 HydrophobicContact CB-CB 4.2Å; F287-E357 HydrophobicContact CD1-CB 3.51Å; F287-E357 HydrophobicContact CD1-CG 3.74Å; F287-E357 HydrophobicContact CD2-CG 4.43Å; F287-E357 HydrophobicContact CE1-CB 3.99Å; F287-E357 HydrophobicContact CE1-CG 3.71Å; F287-E357 HydrophobicContact CE2-CG 4.4Å; F287-E357 HydrophobicContact CG-CB 3.87Å; F287-E357 HydrophobicContact CG-CG 4.12Å; F287-E357 HydrophobicContact CZ-CG 4.05Å
288	R	88.8	Confident	90.7	Very high	41 Å²	41	42.6 Å²	42.6	16%	0.155	22%	0.217	C	C	.	.			trans	-134	59.5	-178.9	-66.6	-171.8	-179.6	87.2	2	111.8	S285 T290 T291 E292 D352	S285-R288 PolarHBondContact OG-N 2.85Å; S285-R288 VanDerWaalsContact OG-N 3.1Å; R288-T290 PolarHBondContact O-N 3.12Å; R288-T290 VanDerWaalsContact O-N 3.15Å; R288-T291 PolarHBondContact O-N 3.17Å; R288-E292 HydrophobicContact CB-CB 4.13Å; R288-E292 HydrophobicContact CB-CG 4.14Å; R288-E292 WeakPolarHBondContact CD-OE1 3.39Å; R288-E292 IonicContact NH1-OE2 3.42Å; R288-E292 PolarHBondContact O-N 2.83Å; R288-D352 PolarHBondContact NH1-O 3.26Å; R288-D352 PolarHBondContact NH2-O 2.93Å
289	P	88.8	Confident	89.7	Confident	23 Å²	23	45.9 Å²	45.9	15%	0.149	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-18.4	-170.4	27.7	-37	0	0	0	114.5	V284 S285 F287 R327 R434	V284-P289 HydrophobicContact CG1-CB 3.87Å; S285-P289 VanDerWaalsContact O-CA 3.3Å; S285-P289 WeakPolarHBondContact O-CA 3.41Å; S285-P289 WeakPolarHBondContact O-CB 3.17Å; F287-P289 VanDerWaalsContact C-CD 3.5Å; P289-R327 PolarHBondContact O-NH1 3.5Å; P289-R434 WeakPolarHBondContact CB-O 3.3Å; P289-R434 HydrophobicContact CG-CB 4.4Å; P289-R434 VanDerWaalsContact CG-O 3.25Å; P289-R434 WeakPolarHBondContact CG-O 3.42Å
290	T	88.5	Confident	88.2	Confident	81 Å²	81	46 Å²	46	50%	0.497	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-25.4	179.1	51.7	0	0	0	0	113.3	R288 L324	R288-T290 PolarHBondContact O-N 3.12Å; R288-T290 VanDerWaalsContact O-N 3.15Å; T290-L324 PolarHBondContact O-N 3.47Å
291	T	88.1	Confident	86.6	Confident	55 Å²	55	48.6 Å²	48.6	34%	0.337	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-30.9	-171.9	55.7	0	0	0	0	113.7	R288 H322 G323	R288-T291 PolarHBondContact O-N 3.17Å; T291-H322 CarbonylContact O-C 3.45Å; T291-H322 VanDerWaalsContact O-CA 3.31Å; T291-H322 WeakPolarHBondContact O-CA 3.38Å; T291-H322 PolarHBondContact O-ND1 3.02Å; T291-G323 PolarHBondContact O-N 2.88Å
292	E	91.2	Very high	84.8	Confident	26 Å²	26	46.3 Å²	46.3	12%	0.121	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	124.7	-171.1	-66.9	177.4	175.2	0	0	112.3	S285 R288 M320	S285-E292 WeakPolarHBondContact CB-O 3.49Å; S285-E292 PolarHBondContact N-O 3.39Å; R288-E292 HydrophobicContact CB-CB 4.13Å; R288-E292 HydrophobicContact CB-CG 4.14Å; R288-E292 WeakPolarHBondContact CD-OE1 3.39Å; R288-E292 IonicContact NH1-OE2 3.42Å; R288-E292 PolarHBondContact O-N 2.83Å; E292-M320 HydrophobicContact CG-CE 4.5Å
293	A	93.9	Very high	83	Confident	4 Å²	4	47.1 Å²	47.1	3%	0.033	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	157.1	164.3	0	0	0	0	0	110.2	L282 H283 V284 I321	L282-A293 HydrophobicContact CD1-CB 3.77Å; H283-A293 CarbonylContact O-C 3.6Å; H283-A293 VanDerWaalsContact O-CA 3.29Å; H283-A293 WeakPolarHBondContact O-CA 3.38Å; V284-A293 HydrophobicContact CG2-CB 4.17Å; A293-I321 HydrophobicContact CB-CB 4.33Å; A293-I321 PolarHBondContact N-O 2.83Å; A293-I321 PolarHBondContact O-N 2.77Å
294	M	93	Very high	81	Confident	45 Å²	45	50.3 Å²	50.3	22%	0.222	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	144.9	178.5	-63.3	-59.6	-157.7	0	0	109.8	L282 H283 I319 M320 V349 L389	L282-M294 CarbonylContact C-O 3.44Å; H283-M294 PolarHBondContact N-O 3.01Å; H283-M294 PolarHBondContact O-N 2.81Å; M294-I319 CarbonylContact C-O 3.44Å; M294-I319 WeakPolarHBondContact CA-O 3.34Å; M294-M320 HydrophobicContact SD-CB 3.8Å; M294-M320 HydrophobicContact SD-CG 4.2Å; M294-V349 HydrophobicContact CE-CG2 3.5Å; M294-L389 HydrophobicContact CE-CD1 4.25Å
295	V	93.2	Very high	79.1	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	110.6	173.7	173.7	0	0	0	0	108.5	I281 L282 L297 E318 I319 I321 V336 V338	I281-V295 CarbonylContact O-C 3.5Å; I281-V295 VanDerWaalsContact O-CA 3.31Å; I281-V295 WeakPolarHBondContact O-CA 3.32Å; L282-V295 HydrophobicContact CB-CG2 4.38Å; L282-V295 HydrophobicContact CD1-CG2 3.52Å; V295-L297 HydrophobicContact CG1-CD2 4.45Å; V295-E318 VanDerWaalsContact O-CA 3.32Å; V295-E318 WeakPolarHBondContact O-CA 3.44Å; V295-I319 PolarHBondContact N-O 3.32Å; V295-I319 PolarHBondContact O-N 2.82Å; V295-I321 HydrophobicContact CG2-CD1 4.2Å; V295-I321 HydrophobicContact CG2-CG1 3.65Å; V295-V336 HydrophobicContact CG1-CG2 3.93Å; V295-V336 HydrophobicContact CG2-CG2 3.71Å; V295-V338 HydrophobicContact CG1-CG1 4.4Å; V295-V338 HydrophobicContact CG1-CG2 4.43Å; V295-V338 HydrophobicContact CG2-CG1 4.03Å
296	A	90.4	Very high	77.6	Confident	28 Å²	28	57.7 Å²	57.7	23%	0.231	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	116.1	174.5	0	0	0	0	0	109.3	G280 I281 T298	G280-A296 CarbonylContact C-O 3.59Å; G280-A296 WeakPolarHBondContact CA-O 3.47Å; I281-A296 PolarHBondContact N-O 3.01Å; I281-A296 PolarHBondContact O-N 2.98Å; A296-T298 PolarHBondContact O-N 2.97Å
297	L	87.3	Confident	76.1	Confident	27 Å²	27	55.9 Å²	55.9	14%	0.141	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	128.5	-173.6	-62.8	179.4	0	0	0	111.4	L278 V295 V303 L313 S317 I319	L278-L297 HydrophobicContact CB-CD2 3.83Å; V295-L297 HydrophobicContact CG1-CD2 4.45Å; L297-V303 HydrophobicContact CD1-CG2 4.33Å; L297-L313 HydrophobicContact CD1-CD1 3.59Å; L297-L313 HydrophobicContact CD1-CD2 4.32Å; L297-S317 PolarHBondContact N-O 2.87Å; L297-I319 HydrophobicContact CD1-CD1 4.3Å; L297-I319 HydrophobicContact CD2-CD1 3.88Å; L297-I319 HydrophobicContact CD2-CG1 4.4Å; L297-I319 HydrophobicContact CG-CD1 4.46Å
298	T	79.3	Confident	74.6	Confident	74 Å²	74	58.6 Å²	58.6	45%	0.454	33%	0.326	S	S	.	.	S	Bend	trans	-87.8	-20.6	179	53.1	0	0	0	0	113	K279 I281 A296	K279-T298 PolarHBondContact O-N 3.33Å; K279-T298 PolarHBondContact O-OG1 3.26Å; I281-T298 HydrophobicContact CD1-CG2 4.24Å; I281-T298 HydrophobicContact CG1-CG2 3.91Å; A296-T298 PolarHBondContact O-N 2.97Å
299	D	68	Low	73.3	Confident	75 Å²	75	56.9 Å²	56.9	40%	0.401	32%	0.32	S	S	.	.			trans	-124.2	100.9	-177	-170.8	-5	0	0	0	111	S301	D299-S301 PolarHBondContact O-N 2.87Å; D299-S301 WeakPolarHBondContact OD1-CA 3.38Å; D299-S301 WeakPolarHBondContact OD1-CB 3.32Å; D299-S301 PolarHBondContact OD1-N 2.7Å; D299-S301 PolarHBondContact OD1-OG 3.46Å; D299-S301 PolarHBondContact OD2-OG 3.14Å
300	A	59.6	Low	71.9	Confident	78 Å²	78	61.7 Å²	61.7	65%	0.645	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-17.3	176.4	0	0	0	0	0	112.8	A302 V303	A300-A302 VanDerWaalsContact C-N 3.31Å; A300-A302 PolarHBondContact O-N 2.71Å; A300-V303 PolarHBondContact O-N 3.44Å
301	S	60.1	Low	70.5	Confident	55 Å²	55	65.7 Å²	65.7	39%	0.385	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-31.6	-178.5	76.9	0	0	0	0	112	D299 V303 K304	D299-S301 PolarHBondContact O-N 2.87Å; D299-S301 WeakPolarHBondContact OD1-CA 3.38Å; D299-S301 WeakPolarHBondContact OD1-CB 3.32Å; D299-S301 PolarHBondContact OD1-N 2.7Å; D299-S301 PolarHBondContact OD1-OG 3.46Å; D299-S301 PolarHBondContact OD2-OG 3.14Å; S301-V303 PolarHBondContact O-N 2.78Å; S301-K304 WeakPolarHBondContact O-CB 3.46Å; S301-K304 VanDerWaalsContact O-CG 3.31Å; S301-K304 WeakPolarHBondContact O-CG 3.45Å; S301-K304 PolarHBondContact O-N 3.43Å
302	A	56.8	Low	69.1	Low	10 Å²	10	64.6 Å²	64.6	8%	0.083	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-62.5	-30.1	178.3	0	0	0	0	0	112.6	L278 A300 K304 H305	L278-A302 HydrophobicContact CD2-CB 3.64Å; A300-A302 VanDerWaalsContact C-N 3.31Å; A300-A302 PolarHBondContact O-N 2.71Å; A302-K304 PolarHBondContact O-N 3.08Å; A302-H305 PolarHBondContact O-N 3.4Å
303	V	58.4	Low	67.6	Low	18 Å²	18	63.6 Å²	63.6	11%	0.109	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-64.8	-21.3	175.9	-170.3	0	0	0	0	111.6	L297 A300 S301 H305 Q306 K310 L313	L297-V303 HydrophobicContact CD1-CG2 4.33Å; A300-V303 PolarHBondContact O-N 3.44Å; S301-V303 PolarHBondContact O-N 2.78Å; V303-H305 PolarHBondContact O-N 3.5Å; V303-Q306 PolarHBondContact O-N 3.22Å; V303-K310 HydrophobicContact CG1-CG 3.96Å; V303-L313 HydrophobicContact CG1-CD1 4.09Å; V303-L313 HydrophobicContact CG2-CD1 3.76Å
304	K	54.1	Low	65.7	Low	154 Å²	154	67.5 Å²	67.5	67%	0.67	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-62.2	-28.5	177.4	-65.1	179.2	177.4	177.9	0	113	S301 A302 Q306	S301-K304 WeakPolarHBondContact O-CB 3.46Å; S301-K304 VanDerWaalsContact O-CG 3.31Å; S301-K304 WeakPolarHBondContact O-CG 3.45Å; S301-K304 PolarHBondContact O-N 3.43Å; A302-K304 PolarHBondContact O-N 3.08Å; K304-Q306 VanDerWaalsContact C-N 3.28Å; K304-Q306 PolarHBondContact O-N 2.56Å
305	H	54.2	Low	63.8	Low	123 Å²	123	69.3 Å²	69.3	57%	0.569	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-79.5	-9.1	-177.8	-64.9	-70	0	0	0	113.5	A302 V303	A302-H305 PolarHBondContact O-N 3.4Å; V303-H305 PolarHBondContact O-N 3.5Å
306	Q	60.7	Low	62.3	Low	69 Å²	69	76.7 Å²	76.7	32%	0.322	43%	0.426	S	S	.	.			trans	-130.8	91	178.3	-69.9	-172.7	-4.8	0	0	110.8	V303 K304 E308 L309 K310	V303-Q306 PolarHBondContact O-N 3.22Å; K304-Q306 VanDerWaalsContact C-N 3.28Å; K304-Q306 PolarHBondContact O-N 2.56Å; Q306-E308 PolarHBondContact O-N 2.92Å; Q306-L309 HydrophobicContact CB-CB 3.78Å; Q306-L309 WeakPolarHBondContact O-CB 3.5Å; Q306-L309 PolarHBondContact O-N 2.63Å; Q306-K310 PolarHBondContact O-N 3.42Å
307	P	56.2	Low	61.5	Low	102 Å²	102	78.8 Å²	78.8	66%	0.662	44%	0.439	S	S	*	.	H	α-helix	trans	-60.1	-30.1	179.9	23.1	-32	0	0	0	112.8	L309 K310	P307-L309 VanDerWaalsContact C-N 3.27Å; P307-L309 PolarHBondContact O-N 3.27Å; P307-K310 WeakPolarHBondContact O-CB 3.4Å; P307-K310 PolarHBondContact O-N 3.32Å
308	E	56.6	Low	61.4	Low	143 Å²	143	81.1 Å²	81.1	67%	0.668	45%	0.449	S	S	*	.	H	α-helix	trans	-66.9	-27.5	175.5	-65	-176.6	-177.8	0	0	113.4	Q306 R343	Q306-E308 PolarHBondContact O-N 2.92Å; E308-R343 PolarHBondContact O-NH2 3.25Å
309	L	60.7	Low	61.9	Low	4 Å²	4	77.6 Å²	77.6	2%	0.021	43%	0.427	C	S	.	.	H	α-helix	trans	-83.9	-25.4	179.3	-163.1	68.5	0	0	0	111.3	L278 Q306 P307 E311 A312 L313 L340	L278-L309 HydrophobicContact CD1-CD2 3.75Å; Q306-L309 HydrophobicContact CB-CB 3.78Å; Q306-L309 WeakPolarHBondContact O-CB 3.5Å; Q306-L309 PolarHBondContact O-N 2.63Å; P307-L309 VanDerWaalsContact C-N 3.27Å; P307-L309 PolarHBondContact O-N 3.27Å; L309-E311 PolarHBondContact O-N 3.1Å; L309-A312 PolarHBondContact O-N 3.41Å; L309-L313 HydrophobicContact CD1-CD1 4.21Å; L309-L313 HydrophobicContact CD1-CG 4.17Å; L309-L313 HydrophobicContact CD2-CD1 3.4Å; L309-L313 VanDerWaalsContact CD2-CD1 3.4Å; L309-L313 HydrophobicContact CD2-CG 4.26Å; L309-L313 HydrophobicContact CG-CD1 3.44Å; L309-L313 VanDerWaalsContact CG-CD1 3.44Å; L309-L313 HydrophobicContact CG-CG 3.77Å; L309-L313 WeakPolarHBondContact O-CB 3.45Å; L309-L313 PolarHBondContact O-N 2.69Å; L309-L340 HydrophobicContact CD1-CD1 4.49Å; L309-L340 HydrophobicContact CD1-CD2 3.56Å
310	K	60.3	Low	63	Low	124 Å²	124	74.1 Å²	74.1	54%	0.539	41%	0.408	S	S	.	.	H	α-helix	trans	-54.1	-41.7	175.2	-104.1	-173.8	177.2	-179.5	0	111.9	V303 Q306 P307 A314	V303-K310 HydrophobicContact CG1-CG 3.96Å; Q306-K310 PolarHBondContact O-N 3.42Å; P307-K310 WeakPolarHBondContact O-CB 3.4Å; P307-K310 PolarHBondContact O-N 3.32Å; K310-A314 VanDerWaalsContact O-CA 3.32Å; K310-A314 WeakPolarHBondContact O-CA 3.37Å; K310-A314 WeakPolarHBondContact O-CB 3.4Å; K310-A314 PolarHBondContact O-N 2.92Å
311	E	59.4	Low	64.6	Low	166 Å²	166	70.4 Å²	70.4	78%	0.776	38%	0.378	S	S	*	.	H	α-helix	trans	-71.2	-42.4	-177.1	-152.6	171.5	-147.4	0	0	111.7	L309	L309-E311 PolarHBondContact O-N 3.1Å
312	A	58.2	Low	66.1	Low	32 Å²	32	70.4 Å²	70.4	26%	0.264	37%	0.372	S	S	.	.	H	α-helix	trans	-72.5	-37.2	178.6	0	0	0	0	0	113.1	L309 W346 P390	L309-A312 PolarHBondContact O-N 3.41Å; A312-W346 HydrophobicContact CB-CH2 4.16Å; A312-W346 HydrophobicContact CB-CZ3 4.12Å; A312-P390 HydrophobicContact CB-CG 3.83Å
313	L	59.3	Low	67.6	Low	5 Å²	5	70.9 Å²	70.9	3%	0.026	38%	0.377	C	S	.	.	H	α-helix	trans	-88.4	-11.1	177.7	-69.6	-179.7	0	0	0	114	L297 V303 L309 A315 R316 E318 I319 P390	L297-L313 HydrophobicContact CD1-CD1 3.59Å; L297-L313 HydrophobicContact CD1-CD2 4.32Å; V303-L313 HydrophobicContact CG1-CD1 4.09Å; V303-L313 HydrophobicContact CG2-CD1 3.76Å; L309-L313 HydrophobicContact CD1-CD1 4.21Å; L309-L313 HydrophobicContact CD1-CG 4.17Å; L309-L313 HydrophobicContact CD2-CD1 3.4Å; L309-L313 VanDerWaalsContact CD2-CD1 3.4Å; L309-L313 HydrophobicContact CD2-CG 4.26Å; L309-L313 HydrophobicContact CG-CD1 3.44Å; L309-L313 VanDerWaalsContact CG-CD1 3.44Å; L309-L313 HydrophobicContact CG-CG 3.77Å; L309-L313 WeakPolarHBondContact O-CB 3.45Å; L309-L313 PolarHBondContact O-N 2.69Å; L313-A315 PolarHBondContact O-N 3.08Å; L313-R316 WeakPolarHBondContact CA-O 3.17Å; L313-R316 VanDerWaalsContact CD2-O 3.29Å; L313-R316 WeakPolarHBondContact CD2-O 3.48Å; L313-R316 CarbonylContact O-C 3.58Å; L313-R316 PolarHBondContact O-N 3.46Å; L313-E318 WeakPolarHBondContact CD2-O 3.33Å; L313-I319 HydrophobicContact CD2-CG1 4.34Å; L313-P390 HydrophobicContact CD2-CG 4.35Å
314	A	55.1	Low	69.1	Low	85 Å²	85	72 Å²	72	70%	0.702	38%	0.383	S	S	*	.	H	α-helix	trans	-58.2	-37.5	176.7	0	0	0	0	0	111.1	K310	K310-A314 VanDerWaalsContact O-CA 3.32Å; K310-A314 WeakPolarHBondContact O-CA 3.37Å; K310-A314 WeakPolarHBondContact O-CB 3.4Å; K310-A314 PolarHBondContact O-N 2.92Å
315	A	53	Low	70.8	Confident	83 Å²	83	69.3 Å²	69.3	69%	0.686	37%	0.372	S	S	*	.	H	α-helix	trans	-75.2	-41.2	178.2	0	0	0	0	0	112.4	L313	L313-A315 PolarHBondContact O-N 3.08Å
316	R	60.9	Low	72.6	Confident	156 Å²	156	65.8 Å²	65.8	59%	0.589	36%	0.356	S	S	*	.			trans	-147.9	120.6	-178.5	-64.1	-173	178.6	179.3	-1.1	110	L313 E318	L313-R316 WeakPolarHBondContact CA-O 3.17Å; L313-R316 VanDerWaalsContact CD2-O 3.29Å; L313-R316 WeakPolarHBondContact CD2-O 3.48Å; L313-R316 CarbonylContact O-C 3.58Å; L313-R316 PolarHBondContact O-N 3.46Å; R316-E318 PolarHBondContact O-N 3.1Å
317	S	73.7	Confident	74.1	Confident	71 Å²	71	63.1 Å²	63.1	50%	0.497	34%	0.343	S	S	.	.	S	Bend	trans	-76.2	48.4	175.1	-53.8	0	0	0	0	112.3	L297	L297-S317 PolarHBondContact N-O 2.87Å
318	E	85.1	Confident	75.9	Confident	76 Å²	76	58.5 Å²	58.5	36%	0.355	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	143.1	-172.8	-65.9	178.2	167.8	0	0	111.1	V295 L313 R316	V295-E318 VanDerWaalsContact O-CA 3.32Å; V295-E318 WeakPolarHBondContact O-CA 3.44Å; L313-E318 WeakPolarHBondContact CD2-O 3.33Å; R316-E318 PolarHBondContact O-N 3.1Å
319	I	89.2	Confident	77.7	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	128.5	176.4	-61.6	176.3	0	0	0	109	L278 M294 V295 L297 L313 I321 V338 L340	L278-I319 HydrophobicContact CB-CD1 4.29Å; L278-I319 HydrophobicContact CD1-CD1 3.41Å; L278-I319 VanDerWaalsContact CD1-CD1 3.41Å; L278-I319 HydrophobicContact CG-CD1 4.47Å; M294-I319 CarbonylContact C-O 3.44Å; M294-I319 WeakPolarHBondContact CA-O 3.34Å; V295-I319 PolarHBondContact N-O 3.32Å; V295-I319 PolarHBondContact O-N 2.82Å; L297-I319 HydrophobicContact CD1-CD1 4.3Å; L297-I319 HydrophobicContact CD2-CD1 3.88Å; L297-I319 HydrophobicContact CD2-CG1 4.4Å; L297-I319 HydrophobicContact CG-CD1 4.46Å; L313-I319 HydrophobicContact CD2-CG1 4.34Å; I319-I321 HydrophobicContact CG2-CD1 4.38Å; I319-V338 HydrophobicContact CD1-CG2 3.95Å; I319-L340 HydrophobicContact CD1-CD1 4.39Å; I319-L340 HydrophobicContact CG2-CD1 4.26Å
320	M	91.4	Very high	79.3	Confident	2 Å²	2	52.1 Å²	52.1	1%	0.01	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	133.2	176.5	178.8	-170.6	-119.1	0	0	111.3	E292 M294 H322 K347 V349 P390 C391 G392	E292-M320 HydrophobicContact CG-CE 4.5Å; M294-M320 HydrophobicContact SD-CB 3.8Å; M294-M320 HydrophobicContact SD-CG 4.2Å; M320-H322 HydrophobicContact SD-CB 4.41Å; M320-K347 HydrophobicContact SD-CB 4.17Å; M320-V349 HydrophobicContact CE-CB 4.12Å; M320-V349 HydrophobicContact CE-CG2 3.25Å; M320-P390 PolarHBondContact N-O 2.83Å; M320-C391 CarbonylContact O-C 3.59Å; M320-C391 VanDerWaalsContact O-CA 3.25Å; M320-C391 WeakPolarHBondContact O-CA 3.48Å; M320-G392 PolarHBondContact O-N 2.97Å
321	I	93.4	Very high	80.9	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	111	168.7	-51.1	-59.5	0	0	0	107.8	L282 A293 V295 I319 H326 R327 V338 G392	L282-I321 HydrophobicContact CD1-CG1 4.16Å; A293-I321 HydrophobicContact CB-CB 4.33Å; A293-I321 PolarHBondContact N-O 2.83Å; A293-I321 PolarHBondContact O-N 2.77Å; V295-I321 HydrophobicContact CG2-CD1 4.2Å; V295-I321 HydrophobicContact CG2-CG1 3.65Å; I319-I321 HydrophobicContact CG2-CD1 4.38Å; I321-H326 HydrophobicContact CG2-CB 3.96Å; I321-H326 WeakPolarHBondContact CG2-O 3.27Å; I321-R327 HydrophobicContact CG2-CB 4.13Å; I321-V338 HydrophobicContact CD1-CB 4.49Å; I321-V338 HydrophobicContact CD1-CG1 3.93Å; I321-G392 VanDerWaalsContact CD1-O 3.24Å; I321-G392 WeakPolarHBondContact CD1-O 3.42Å
322	H	91.1	Very high	82.7	Confident	55 Å²	55	39.2 Å²	39.2	26%	0.255	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	117.4	-173.7	-175.1	92.7	0	0	0	111.9	T291 M320 H326 K347	T291-H322 CarbonylContact O-C 3.45Å; T291-H322 VanDerWaalsContact O-CA 3.31Å; T291-H322 WeakPolarHBondContact O-CA 3.38Å; T291-H322 PolarHBondContact O-ND1 3.02Å; M320-H322 HydrophobicContact SD-CB 4.41Å; H322-H326 PolarHBondContact O-ND1 3.23Å; H322-K347 HydrophobicContact CB-CD 4.23Å; H322-K347 PolarHBondContact CD2-NZ 3.29Å; H322-K347 PolarHBondContact NE2-NZ 2.72Å
323	G	89.1	Confident	84.3	Confident	19 Å²	19	38.6 Å²	38.6	20%	0.196	22%	0.221	C	C	.	.	H	α-helix	trans	83.2	158.3	177.2	0	0	0	0	0	114.6	T291 Q325 H326 R327	T291-G323 PolarHBondContact O-N 2.88Å; G323-Q325 VanDerWaalsContact C-N 3.27Å; G323-Q325 PolarHBondContact O-N 3.41Å; G323-H326 PolarHBondContact O-N 3.04Å; G323-R327 PolarHBondContact O-N 3.33Å; G323-R327 VanDerWaalsContact O-N 3.11Å
324	L	89.4	Confident	86.1	Confident	42 Å²	42	38.4 Å²	38.4	22%	0.22	22%	0.22	C	C	.	.	H	α-helix	trans	-59.7	-35.3	-178.3	-62.4	-179.2	0	0	0	113.2	Y259 T290 R327 N328 M370	Y259-L324 WeakPolarHBondContact CE1-O 3.38Å; T290-L324 PolarHBondContact O-N 3.47Å; L324-R327 VanDerWaalsContact CD2-CZ 3.46Å; L324-R327 PolarHBondContact O-N 2.91Å; L324-N328 PolarHBondContact O-N 2.9Å; L324-M370 HydrophobicContact CD1-CE 4.29Å
325	Q	89.6	Confident	88	Confident	97 Å²	97	35.9 Å²	35.9	45%	0.453	20%	0.196	S	C	.	.	H	α-helix	trans	-62.5	-46.4	-179	-68.3	-60.8	-27.6	0	0	112	V258 G323 R327 N328	V258-Q325 PolarHBondContact O-NE2 3.45Å; V258-Q325 PolarHBondContact O-OE1 2.98Å; V258-Q325 VanDerWaalsContact O-OE1 3.14Å; G323-Q325 VanDerWaalsContact C-N 3.27Å; G323-Q325 PolarHBondContact O-N 3.41Å; Q325-R327 VanDerWaalsContact C-N 3.34Å; Q325-N328 PolarHBondContact O-N 2.96Å
326	H	91.7	Very high	90	Very high	50 Å²	50	32 Å²	32	23%	0.231	16%	0.163	C	C	.	.	H	α-helix	trans	-75.3	-23.8	176.5	-65.4	171.9	0	0	0	113	I321 H322 G323 N328 F393 V394	I321-H326 HydrophobicContact CG2-CB 3.96Å; I321-H326 WeakPolarHBondContact CG2-O 3.27Å; H322-H326 PolarHBondContact O-ND1 3.23Å; G323-H326 PolarHBondContact O-N 3.04Å; H326-N328 VanDerWaalsContact C-N 3.26Å; H326-F393 HydrophobicContact CB-CB 3.74Å; H326-F393 WeakPolarHBondContact O-CA 3.36Å; H326-V394 PolarHBondContact O-N 2.86Å
327	R	93.5	Very high	91.6	Very high	13 Å²	13	24.5 Å²	24.5	5%	0.049	14%	0.135	C	C	.	.	H	α-helix	trans	-69.1	-26.8	171.7	-166.5	169.9	74.2	-164.6	5.1	112.4	L282 P289 I321 G323 L324 Q325 R329 A330	L282-R327 HydrophobicContact CD2-CG 3.9Å; P289-R327 PolarHBondContact O-NH1 3.5Å; I321-R327 HydrophobicContact CG2-CB 4.13Å; G323-R327 PolarHBondContact O-N 3.33Å; G323-R327 VanDerWaalsContact O-N 3.11Å; L324-R327 VanDerWaalsContact CD2-CZ 3.46Å; L324-R327 PolarHBondContact O-N 2.91Å; Q325-R327 VanDerWaalsContact C-N 3.34Å; R327-R329 PolarHBondContact O-N 3.37Å; R327-A330 WeakPolarHBondContact CD-O 3.18Å; R327-A330 HydrophobicContact CG-CB 4.24Å; R327-A330 WeakPolarHBondContact CG-O 2.98Å; R327-A330 PolarHBondContact NE-O 3.41Å; R327-A330 WeakPolarHBondContact O-CB 3.45Å; R327-A330 PolarHBondContact O-N 3.04Å
328	N	93.6	Very high	92.5	Very high	4 Å²	4	21.1 Å²	21.1	2%	0.021	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	41.8	71.8	171.8	-176.3	13.4	0	0	0	112	Y259 P260 Y262 L324 Q325 H326 A330 V394	Y259-N328 WeakPolarHBondContact CB-OD1 3.37Å; P260-N328 PolarHBondContact O-ND2 2.63Å; P260-N328 PolarHBondContact O-OD1 3.01Å; P260-N328 VanDerWaalsContact O-OD1 3.08Å; Y262-N328 WeakPolarHBondContact CD1-ND2 3.13Å; Y262-N328 HydrophobicContact CE1-CB 4.3Å; Y262-N328 WeakPolarHBondContact CE1-ND2 3.35Å; Y262-N328 WeakPolarHBondContact CE1-O 3.41Å; Y262-N328 PolarHBondContact OH-O 3.32Å; L324-N328 PolarHBondContact O-N 2.9Å; Q325-N328 PolarHBondContact O-N 2.96Å; H326-N328 VanDerWaalsContact C-N 3.26Å; N328-A330 PolarHBondContact O-N 3.48Å; N328-V394 HydrophobicContact CB-CB 4.28Å; N328-V394 PolarHBondContact ND2-O 2.8Å
329	R	93.7	Very high	92.7	Very high	14 Å²	14	19.9 Å²	19.9	5%	0.053	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	15.9	174.3	-53.1	176.6	-77.9	166.7	-10.6	117.6	Y259 P260 E261 Y262 R327 W461	Y259-R329 HydrophobicContact CD1-CG 4.47Å; Y259-R329 HydrophobicContact CD2-CG 3.38Å; Y259-R329 HydrophobicContact CE2-CG 3.89Å; Y259-R329 HydrophobicContact CG-CG 3.71Å; P260-R329 PolarHBondContact O-NH2 3.48Å; P260-R329 VanDerWaalsContact O-NH2 3.1Å; E261-R329 IonicContact OE2-CZ 3.99Å; E261-R329 IonicContact OE2-NH1 2.81Å; E261-R329 IonicContact OE2-NH2 3.77Å; E261-R329 PolarHBondContact OE2-NH2 3.41Å; Y262-R329 VanDerWaalsContact OH-C 3.23Å; Y262-R329 WeakPolarHBondContact OH-CB 3.33Å; Y262-R329 PolarHBondContact OH-O 2.71Å; R327-R329 PolarHBondContact O-N 3.37Å; R329-W461 HydrophobicContact CB-CB 4.38Å; R329-W461 HydrophobicContact CB-CD2 3.67Å; R329-W461 HydrophobicContact CB-CE3 3.93Å; R329-W461 HydrophobicContact CB-CG 3.86Å; R329-W461 HydrophobicContact CB-CZ3 4.43Å; R329-W461 WeakPolarHBondContact CD-O 3.44Å; R329-W461 HydrophobicContact CG-CD2 3.97Å; R329-W461 HydrophobicContact CG-CG 3.95Å; R329-W461 HydrophobicContact CG-CZ2 4.48Å; R329-W461 PolarHBondContact NH1-O 3Å; R329-W461 WeakPolarHBondContact O-CZ3 3.49Å
330	A	95	Very high	92.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.113	C	C	.	.			trans	-89.9	148.9	171.1	0	0	0	0	0	112.3	L282 R327 N328 V336 V394 V397	L282-A330 HydrophobicContact CD2-CB 3.53Å; R327-A330 WeakPolarHBondContact CD-O 3.18Å; R327-A330 HydrophobicContact CG-CB 4.24Å; R327-A330 WeakPolarHBondContact CG-O 2.98Å; R327-A330 PolarHBondContact NE-O 3.41Å; R327-A330 WeakPolarHBondContact O-CB 3.45Å; R327-A330 PolarHBondContact O-N 3.04Å; N328-A330 PolarHBondContact O-N 3.48Å; A330-V336 HydrophobicContact CB-CG1 3.87Å; A330-V394 HydrophobicContact CB-CG1 4.44Å; A330-V394 HydrophobicContact CB-CG2 4.45Å; A330-V397 HydrophobicContact CB-CG2 4.11Å
331	V	94.7	Very high	92.6	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.115	C	C	.	.			trans	-115.1	168.7	176.3	-57.8	0	0	0	0	112.7	G333 D334 P437 W461	V331-G333 PolarHBondContact O-N 3.38Å; V331-D334 VanDerWaalsContact CG2-OD1 3.26Å; V331-D334 WeakPolarHBondContact CG2-OD1 3.36Å; V331-D334 PolarHBondContact N-OD2 3.3Å; V331-D334 WeakPolarHBondContact O-CB 3.36Å; V331-D334 PolarHBondContact O-N 2.79Å; V331-D334 VanDerWaalsContact O-N 3.14Å; V331-P437 HydrophobicContact CG1-CG 4.11Å; V331-W461 HydrophobicContact CG1-CE3 4.27Å; V331-W461 HydrophobicContact CG1-CZ3 3.69Å
332	D	95.6	Very high	92.1	Very high	19 Å²	19	23.8 Å²	23.8	10%	0.102	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	129.1	177.9	-168.3	58.6	0	0	0	112.4	H283 V284 N401 R435 I436	H283-D332 VanDerWaalsContact CA-OD1 3.3Å; H283-D332 WeakPolarHBondContact CA-OD1 3.42Å; V284-D332 HydrophobicContact CB-CB 4.09Å; V284-D332 HydrophobicContact CG2-CB 3.99Å; V284-D332 PolarHBondContact N-OD1 3.05Å; D332-N401 PolarHBondContact O-ND2 3.15Å; D332-N401 VanDerWaalsContact O-ND2 3.16Å; D332-R435 HydrophobicContact CB-CB 4.2Å; D332-R435 IonicContact OD2-CZ 3.75Å; D332-R435 VanDerWaalsContact OD2-CZ 3.31Å; D332-R435 IonicContact OD2-NE 2.72Å; D332-R435 IonicContact OD2-NH1 3.19Å; D332-R435 PolarHBondContact OD2-NH1 2.93Å; D332-I436 HydrophobicContact CB-CD1 4.42Å
333	G	92.9	Very high	91.6	Very high	19 Å²	19	27.5 Å²	27.5	20%	0.196	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.1	-4.9	-177.4	0	0	0	0	0	115.4	L282 V331 N401	L282-G333 WeakPolarHBondContact O-CA 3.49Å; L282-G333 PolarHBondContact O-N 3.16Å; V331-G333 PolarHBondContact O-N 3.38Å; G333-N401 VanDerWaalsContact C-CB 3.43Å; G333-N401 WeakPolarHBondContact O-CB 3.26Å
334	D	96.3	Very high	91.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.165	C	C	.	.			trans	-61.4	141.4	176.3	-77.9	-4	0	0	0	111.4	I281 L282 V331 V336 V397 H400 N401	I281-D334 WeakPolarHBondContact CA-O 3.36Å; L282-D334 PolarHBondContact N-O 3.06Å; V331-D334 VanDerWaalsContact CG2-OD1 3.26Å; V331-D334 WeakPolarHBondContact CG2-OD1 3.36Å; V331-D334 PolarHBondContact N-OD2 3.3Å; V331-D334 WeakPolarHBondContact O-CB 3.36Å; V331-D334 PolarHBondContact O-N 2.79Å; V331-D334 VanDerWaalsContact O-N 3.14Å; D334-V336 HydrophobicContact CB-CG1 3.84Å; D334-V336 PolarHBondContact O-N 3.36Å; D334-V397 HydrophobicContact CB-CG1 4.1Å; D334-H400 VanDerWaalsContact OD1-CA 3.25Å; D334-H400 WeakPolarHBondContact OD1-CA 3.17Å; D334-H400 IonicContact OD1-ND1 3.47Å; D334-H400 IonicContact OD2-ND1 3.74Å; D334-H400 PolarHBondContact OD2-ND1 3.41Å; D334-N401 PolarHBondContact OD1-N 3.22Å
335	V	95.1	Very high	91	Very high	33 Å²	33	35 Å²	35	20%	0.2	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	107.3	169	-176.5	0	0	0	0	108.1	K279 G280 I281 I398 S399	K279-V335 HydrophobicContact CD-CG1 4.44Å; K279-V335 HydrophobicContact CG-CG1 4.2Å; G280-V335 CarbonylContact O-C 3.55Å; G280-V335 WeakPolarHBondContact O-CA 3.42Å; I281-V335 HydrophobicContact CG1-CG2 4.44Å; V335-I398 HydrophobicContact CG1-CB 4.25Å; V335-I398 HydrophobicContact CG1-CD1 4.48Å; V335-I398 PolarHBondContact O-N 3.36Å; V335-S399 PolarHBondContact N-O 3.05Å; V335-S399 PolarHBondContact O-N 3.47Å
336	V	95.8	Very high	90.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	156.6	-170.5	-59.8	0	0	0	0	112.5	K279 G280 L282 V295 A330 D334 V338 V394 V397	K279-V336 WeakPolarHBondContact CA-O 3.36Å; G280-V336 PolarHBondContact N-O 3.38Å; G280-V336 PolarHBondContact O-N 2.79Å; L282-V336 HydrophobicContact CB-CG1 4.12Å; L282-V336 HydrophobicContact CB-CG2 4.16Å; V295-V336 HydrophobicContact CG1-CG2 3.93Å; V295-V336 HydrophobicContact CG2-CG2 3.71Å; A330-V336 HydrophobicContact CB-CG1 3.87Å; D334-V336 HydrophobicContact CB-CG1 3.84Å; D334-V336 PolarHBondContact O-N 3.36Å; V336-V338 HydrophobicContact CG2-CG1 3.93Å; V336-V394 HydrophobicContact CB-CG1 4.2Å; V336-V394 HydrophobicContact CB-CG2 4.33Å; V336-V394 HydrophobicContact CG1-CG1 4.31Å; V336-V394 HydrophobicContact CG1-CG2 4.46Å; V336-V394 HydrophobicContact CG2-CG2 4.45Å; V336-V397 HydrophobicContact CG1-CG2 4.21Å
337	V	94	Very high	90.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	125.1	167.6	-176.3	0	0	0	0	108	L268 L272 F277 L278 V395 G396 I398	L268-V337 HydrophobicContact CD2-CB 4.1Å; L268-V337 HydrophobicContact CD2-CG1 4.03Å; L268-V337 HydrophobicContact CD2-CG2 4.42Å; L272-V337 HydrophobicContact CD1-CG2 4.14Å; L272-V337 HydrophobicContact CD2-CG1 4.11Å; L272-V337 HydrophobicContact CG-CG1 4.3Å; F277-V337 HydrophobicContact CB-CG1 3.48Å; F277-V337 VanDerWaalsContact CB-CG1 3.48Å; F277-V337 HydrophobicContact CD2-CG1 4.02Å; F277-V337 HydrophobicContact CG-CG1 3.83Å; L278-V337 WeakPolarHBondContact O-CA 3.35Å; V337-V395 HydrophobicContact CB-CG2 4.11Å; V337-V395 HydrophobicContact CG1-CG2 3.76Å; V337-V395 VanDerWaalsContact O-CG2 3.3Å; V337-V395 WeakPolarHBondContact O-CG2 3.13Å; V337-V395 PolarHBondContact O-N 3.32Å; V337-G396 PolarHBondContact N-O 2.89Å; V337-G396 PolarHBondContact O-N 2.95Å; V337-I398 HydrophobicContact CG2-CD1 3.48Å; V337-I398 VanDerWaalsContact CG2-CD1 3.48Å; V337-I398 HydrophobicContact CG2-CG1 3.69Å
338	V	92.3	Very high	89.7	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	146.6	-177.5	-60.9	0	0	0	0	111.5	F277 L278 V295 I319 I321 V336 F393 V394	F277-V338 WeakPolarHBondContact CA-O 3.39Å; L278-V338 HydrophobicContact CB-CG2 4.05Å; L278-V338 PolarHBondContact N-O 2.88Å; L278-V338 PolarHBondContact O-N 3.1Å; V295-V338 HydrophobicContact CG1-CG1 4.4Å; V295-V338 HydrophobicContact CG1-CG2 4.43Å; V295-V338 HydrophobicContact CG2-CG1 4.03Å; I319-V338 HydrophobicContact CD1-CG2 3.95Å; I321-V338 HydrophobicContact CD1-CB 4.49Å; I321-V338 HydrophobicContact CD1-CG1 3.93Å; V336-V338 HydrophobicContact CG2-CG1 3.93Å; V338-F393 VanDerWaalsContact CA-O 3.24Å; V338-F393 WeakPolarHBondContact CA-O 3.37Å; V338-F393 WeakPolarHBondContact CB-O 3.33Å; V338-V394 HydrophobicContact CG1-CG2 4.02Å
339	R	89.7	Confident	88.9	Confident	49 Å²	49	39.3 Å²	39.3	19%	0.185	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	140.3	165.8	-177.4	173.7	-83.6	166.7	5.3	108.7	Y247 F277 G392 F393 V395	Y247-R339 PolarHBondContact O-NH1 2.92Å; F277-R339 HydrophobicContact CD1-CB 3.95Å; F277-R339 HydrophobicContact CD1-CG 4.43Å; F277-R339 HydrophobicContact CE1-CB 4.02Å; F277-R339 HydrophobicContact CE1-CG 4.38Å; F277-R339 VanDerWaalsContact CE1-CZ 3.41Å; R339-G392 CarbonylContact O-C 3.44Å; R339-G392 WeakPolarHBondContact O-CA 3.49Å; R339-F393 HydrophobicContact CB-CE1 3.98Å; R339-F393 HydrophobicContact CB-CE2 4.41Å; R339-F393 HydrophobicContact CB-CZ 3.92Å; R339-F393 HydrophobicContact CG-CE1 4.16Å; R339-F393 HydrophobicContact CG-CZ 4.19Å; R339-F393 PolarHBondContact N-O 3.25Å; R339-F393 PolarHBondContact O-N 3.44Å; R339-V395 HydrophobicContact CB-CG1 3.95Å
340	L	88.8	Confident	88.1	Confident	36 Å²	36	40.8 Å²	40.8	19%	0.188	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	138.6	180	-162.6	71.3	0	0	0	110.7	L309 I319 W346 P390 C391	L309-L340 HydrophobicContact CD1-CD1 4.49Å; L309-L340 HydrophobicContact CD1-CD2 3.56Å; I319-L340 HydrophobicContact CD1-CD1 4.39Å; I319-L340 HydrophobicContact CG2-CD1 4.26Å; L340-W346 HydrophobicContact CD1-CZ2 4.41Å; L340-W346 HydrophobicContact CD2-CZ2 3.85Å; L340-W346 HydrophobicContact CG-CZ2 4.3Å; L340-P390 HydrophobicContact CD1-CB 3.96Å; L340-C391 VanDerWaalsContact CD1-O 3.25Å; L340-C391 WeakPolarHBondContact CD1-O 3.41Å
341	L	88.6	Confident	87.3	Confident	10 Å²	10	43.7 Å²	43.7	5%	0.052	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-78.6	154.3	169.1	-66.9	168	0	0	0	109.8	M249 P250 H345 W346 C391 F393	M249-L341 HydrophobicContact CE-CD2 3.61Å; M249-L341 HydrophobicContact SD-CD2 4.5Å; P250-L341 HydrophobicContact CG-CD2 4.38Å; L341-H345 HydrophobicContact CB-CB 4.2Å; L341-H345 HydrophobicContact CD1-CB 4.45Å; L341-W346 PolarHBondContact O-NE1 3.47Å; L341-C391 WeakPolarHBondContact CB-O 3.32Å; L341-C391 HydrophobicContact CD1-CB 4.04Å; L341-C391 PolarHBondContact N-O 2.93Å; L341-F393 HydrophobicContact CD2-CD1 3.63Å; L341-F393 HydrophobicContact CD2-CE1 3.92Å; L341-F393 HydrophobicContact CG-CD1 4.04Å
342	P	84.5	Confident	86.7	Confident	40 Å²	40	46 Å²	46	26%	0.26	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-51.5	146.7	166.5	-27.9	37.2	0	0	0	112.3	I248 M249 V344 H345 W346	I248-P342 HydrophobicContact CG2-CG 3.26Å; M249-P342 HydrophobicContact CE-CG 3.71Å; P342-V344 HydrophobicContact CB-CG2 3.91Å; P342-V344 PolarHBondContact O-N 3.25Å; P342-V344 VanDerWaalsContact O-N 3.08Å; P342-H345 PolarHBondContact O-N 2.75Å; P342-W346 VanDerWaalsContact O-CD1 3.27Å
343	R	79.8	Confident	86	Confident	133 Å²	133	45.5 Å²	45.5	50%	0.502	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-54	-31.3	179.9	-70.9	-173.9	176.6	-159.2	-2.3	113.6	E308 H345 W346	E308-R343 PolarHBondContact O-NH2 3.25Å; R343-H345 PolarHBondContact O-N 3.03Å; R343-W346 HydrophobicContact CB-CD2 4.28Å; R343-W346 HydrophobicContact CG-CD2 4.03Å; R343-W346 HydrophobicContact CG-CE3 4.13Å; R343-W346 HydrophobicContact CG-CH2 3.75Å; R343-W346 HydrophobicContact CG-CZ2 3.6Å; R343-W346 HydrophobicContact CG-CZ3 4.01Å; R343-W346 VanDerWaalsContact O-CB 3.31Å; R343-W346 WeakPolarHBondContact O-CB 3.28Å; R343-W346 PolarHBondContact O-N 3.49Å
344	V	82	Confident	85.5	Confident	125 Å²	125	45.3 Å²	45.3	76%	0.758	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-63.2	-19.7	176.8	-61.9	0	0	0	0	113.5	P342	P342-V344 HydrophobicContact CB-CG2 3.91Å; P342-V344 PolarHBondContact O-N 3.25Å; P342-V344 VanDerWaalsContact O-N 3.08Å
345	H	83.5	Confident	84.6	Confident	92 Å²	92	48 Å²	48	43%	0.426	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-102.9	5.7	176.5	-62.6	-64.7	0	0	0	113.1	L341 P342 R343	L341-H345 HydrophobicContact CB-CB 4.2Å; L341-H345 HydrophobicContact CD1-CB 4.45Å; P342-H345 PolarHBondContact O-N 2.75Å; R343-H345 PolarHBondContact O-N 3.03Å
346	W	86.3	Confident	83.9	Confident	29 Å²	29	48.6 Å²	48.6	11%	0.11	26%	0.263	C	S	.	.			trans	-70.9	138.2	175.2	-70	9.5	0	0	0	110.2	A312 L340 L341 P342 R343 L389 P390	A312-W346 HydrophobicContact CB-CH2 4.16Å; A312-W346 HydrophobicContact CB-CZ3 4.12Å; L340-W346 HydrophobicContact CD1-CZ2 4.41Å; L340-W346 HydrophobicContact CD2-CZ2 3.85Å; L340-W346 HydrophobicContact CG-CZ2 4.3Å; L341-W346 PolarHBondContact O-NE1 3.47Å; P342-W346 VanDerWaalsContact O-CD1 3.27Å; R343-W346 HydrophobicContact CB-CD2 4.28Å; R343-W346 HydrophobicContact CG-CD2 4.03Å; R343-W346 HydrophobicContact CG-CE3 4.13Å; R343-W346 HydrophobicContact CG-CH2 3.75Å; R343-W346 HydrophobicContact CG-CZ2 3.6Å; R343-W346 HydrophobicContact CG-CZ3 4.01Å; R343-W346 VanDerWaalsContact O-CB 3.31Å; R343-W346 WeakPolarHBondContact O-CB 3.28Å; R343-W346 PolarHBondContact O-N 3.49Å; W346-L389 VanDerWaalsContact CB-O 3.31Å; W346-L389 WeakPolarHBondContact CB-O 3.34Å; W346-P390 HydrophobicContact CE3-CG 4.41Å; W346-P390 HydrophobicContact CH2-CB 4.1Å; W346-P390 HydrophobicContact CH2-CG 3.96Å; W346-P390 HydrophobicContact CZ2-CB 4.06Å; W346-P390 HydrophobicContact CZ2-CG 4.43Å; W346-P390 HydrophobicContact CZ3-CB 4.35Å; W346-P390 HydrophobicContact CZ3-CG 3.94Å
347	K	84	Confident	83.2	Confident	95 Å²	95	49.5 Å²	49.5	41%	0.413	27%	0.267	S	S	.	.	B	Isolated β-bridge	trans	-116.6	163.5	-174.1	-68.9	-176.4	172	-176	0	110.3	M320 H322 L389 C391	M320-K347 HydrophobicContact SD-CB 4.17Å; H322-K347 HydrophobicContact CB-CD 4.23Å; H322-K347 PolarHBondContact CD2-NZ 3.29Å; H322-K347 PolarHBondContact NE2-NZ 2.72Å; K347-L389 PolarHBondContact O-N 2.89Å; K347-C391 PolarHBondContact N-SG 2.74Å
348	T	78.1	Confident	82.4	Confident	74 Å²	74	50 Å²	50	45%	0.454	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-98	149	171.3	50.5	0	0	0	0	109.7	R387	T348-R387 HydrophobicContact CG2-CB 4.37Å
349	V	76.1	Confident	81.5	Confident	58 Å²	58	50.9 Å²	50.9	35%	0.352	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-79.3	134.8	170.9	175	0	0	0	0	108.6	M294 M320 S351 L389	M294-V349 HydrophobicContact CE-CG2 3.5Å; M320-V349 HydrophobicContact CE-CB 4.12Å; M320-V349 HydrophobicContact CE-CG2 3.25Å; V349-S351 PolarHBondContact O-N 3.41Å; V349-L389 HydrophobicContact CB-CD1 4.29Å; V349-L389 HydrophobicContact CG2-CD1 3.38Å
350	S	78	Confident	79.9	Confident	44 Å²	44	49.8 Å²	49.8	31%	0.308	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-69.5	127.4	171.6	176.3	0	0	0	0	109.9	D352	S350-D352 PolarHBondContact OG-N 3.37Å
351	S	77.1	Confident	78	Confident	61 Å²	61	50.2 Å²	50.2	43%	0.427	29%	0.286	S	S	.	.			trans	-92	-6.2	176.8	65.8	0	0	0	0	113.9	V349 R1011 G1012	V349-S351 PolarHBondContact O-N 3.41Å; S351-R1011 CarbonylContact O-C 3.59Å; S351-G1012 PolarHBondContact O-N 3.03Å; S351-G1012 VanDerWaalsContact O-N 3.11Å; S351-G1012 WeakPolarHBondContact OG-CA 3.41Å
352	D	82.9	Confident	76.1	Confident	50 Å²	50	52 Å²	52	27%	0.267	29%	0.294	S	S	.	.	S	Bend	trans	-70.6	155.2	179.6	-62	-36.1	0	0	0	111.4	R288 S350 S354 G1012 T1013 N1014	R288-D352 PolarHBondContact NH1-O 3.26Å; R288-D352 PolarHBondContact NH2-O 2.93Å; S350-D352 PolarHBondContact OG-N 3.37Å; D352-S354 PolarHBondContact O-N 3.36Å; D352-G1012 VanDerWaalsContact OD1-CA 3.24Å; D352-G1012 WeakPolarHBondContact OD1-CA 3.45Å; D352-T1013 PolarHBondContact OD1-N 3.34Å; D352-N1014 WeakPolarHBondContact CA-OD1 3.31Å; D352-N1014 WeakPolarHBondContact CB-OD1 3.41Å
353	I	80.7	Confident	73.6	Confident	8 Å²	8	59.3 Å²	59.3	4%	0.041	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-70.6	125.6	172.8	-58.8	170.7	0	0	0	108.5	E357 N358 R1011 N1014 A1028 V1029 C1030	I353-E357 HydrophobicContact CG2-CB 4.08Å; I353-E357 HydrophobicContact CG2-CG 4.15Å; I353-N358 HydrophobicContact CG2-CB 3.92Å; I353-R1011 HydrophobicContact CD1-CB 3.94Å; I353-R1011 HydrophobicContact CD1-CG 4.24Å; I353-R1011 HydrophobicContact CG1-CB 3.45Å; I353-R1011 VanDerWaalsContact CG1-CB 3.45Å; I353-R1011 HydrophobicContact CG1-CG 3.83Å; I353-N1014 PolarHBondContact N-ND2 3.43Å; I353-N1014 PolarHBondContact N-OD1 3.2Å; I353-N1014 PolarHBondContact O-ND2 3.13Å; I353-A1028 HydrophobicContact CD1-CB 4.12Å; I353-A1028 HydrophobicContact CG1-CB 4.41Å; I353-A1028 HydrophobicContact CG2-CB 3.74Å; I353-V1029 WeakPolarHBondContact CD1-O 3.42Å; I353-C1030 VanDerWaalsContact CG2-SG 3.55Å
354	S	81.9	Confident	71.2	Confident	14 Å²	14	58.3 Å²	58.3	10%	0.098	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-80	157.3	173	67.7	0	0	0	0	111.4	F287 D352 Q356 E357 N358	F287-S354 PolarHBondContact O-OG 3.22Å; D352-S354 PolarHBondContact O-N 3.36Å; S354-Q356 PolarHBondContact O-N 2.54Å; S354-E357 PolarHBondContact O-N 3.06Å; S354-E357 VanDerWaalsContact O-N 3.11Å; S354-E357 VanDerWaalsContact OG-CB 3.31Å; S354-E357 WeakPolarHBondContact OG-CB 3.46Å; S354-E357 PolarHBondContact OG-N 3.3Å; S354-N358 PolarHBondContact O-N 2.88Å
355	A	78.3	Confident	68.6	Low	57 Å²	57	59.2 Å²	59.2	47%	0.471	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-32	172.2	0	0	0	0	0	112.4	C359 A360 A361	A355-C359 PolarHBondContact O-N 3.43Å; A355-C359 VanDerWaalsContact O-N 3.16Å; A355-A360 PolarHBondContact O-N 3.15Å; A355-A361 HydrophobicContact CB-CB 4.32Å
356	Q	79.6	Confident	66.1	Low	45 Å²	45	59.8 Å²	59.8	21%	0.21	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-41.1	176.6	-174.6	57.7	62.6	0	0	112.6	F287 S354 N358 C359	F287-Q356 WeakPolarHBondContact O-CB 3.42Å; S354-Q356 PolarHBondContact O-N 2.54Å; Q356-N358 VanDerWaalsContact C-N 3.35Å; Q356-C359 PolarHBondContact O-N 2.94Å; Q356-C359 VanDerWaalsContact O-N 3.14Å
357	E	80.6	Confident	63.6	Low	19 Å²	19	65.4 Å²	65.4	9%	0.089	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-36.4	176.7	-176.9	176.6	176	0	0	112	F287 I353 S354 C359 R1011 A1028	F287-E357 HydrophobicContact CB-CB 4.2Å; F287-E357 HydrophobicContact CD1-CB 3.51Å; F287-E357 HydrophobicContact CD1-CG 3.74Å; F287-E357 HydrophobicContact CD2-CG 4.43Å; F287-E357 HydrophobicContact CE1-CB 3.99Å; F287-E357 HydrophobicContact CE1-CG 3.71Å; F287-E357 HydrophobicContact CE2-CG 4.4Å; F287-E357 HydrophobicContact CG-CB 3.87Å; F287-E357 HydrophobicContact CG-CG 4.12Å; F287-E357 HydrophobicContact CZ-CG 4.05Å; I353-E357 HydrophobicContact CG2-CB 4.08Å; I353-E357 HydrophobicContact CG2-CG 4.15Å; S354-E357 PolarHBondContact O-N 3.06Å; S354-E357 VanDerWaalsContact O-N 3.11Å; S354-E357 VanDerWaalsContact OG-CB 3.31Å; S354-E357 WeakPolarHBondContact OG-CB 3.46Å; S354-E357 PolarHBondContact OG-N 3.3Å; E357-C359 PolarHBondContact O-N 2.72Å; E357-R1011 IonicContact OE1-CZ 3.9Å; E357-R1011 VanDerWaalsContact OE1-CZ 3.26Å; E357-R1011 IonicContact OE1-NE 3.3Å; E357-R1011 PolarHBondContact OE1-NE 3.05Å; E357-R1011 IonicContact OE1-NH2 2.87Å; E357-R1011 PolarHBondContact OE1-NH2 3.26Å; E357-R1011 IonicContact OE2-CZ 3.08Å; E357-R1011 IonicContact OE2-NE 3.96Å; E357-R1011 IonicContact OE2-NH2 2.63Å; E357-R1011 PolarHBondContact OE2-NH2 2.86Å; E357-A1028 HydrophobicContact CG-CB 3.82Å
358	N	78.2	Confident	60.9	Low	11 Å²	11	64.2 Å²	64.2	6%	0.059	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	3.4	172.8	-167.3	25.9	0	0	0	113.3	I353 S354 Q356 A360 A1028 C1030 R1112	I353-N358 HydrophobicContact CG2-CB 3.92Å; S354-N358 PolarHBondContact O-N 2.88Å; Q356-N358 VanDerWaalsContact C-N 3.35Å; N358-A360 HydrophobicContact CB-CB 4.5Å; N358-A360 PolarHBondContact O-N 2.73Å; N358-A1028 PolarHBondContact OD1-O 3.23Å; N358-C1030 VanDerWaalsContact CG-SG 3.57Å; N358-C1030 PolarHBondContact ND2-SG 3.08Å; N358-R1112 VanDerWaalsContact O-CD 3.31Å; N358-R1112 WeakPolarHBondContact O-CD 3.37Å; N358-R1112 WeakPolarHBondContact O-CG 3.17Å
359	C	73.1	Confident	58.3	Low	18 Å²	18	68.1 Å²	68.1	12%	0.122	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	26.5	-176.1	-54.5	0	0	0	0	114.1	A355 Q356 E357 S1102 N1110 R1112	A355-C359 PolarHBondContact O-N 3.43Å; A355-C359 VanDerWaalsContact O-N 3.16Å; Q356-C359 PolarHBondContact O-N 2.94Å; Q356-C359 VanDerWaalsContact O-N 3.14Å; E357-C359 PolarHBondContact O-N 2.72Å; C359-S1102 PolarHBondContact O-OG 2.89Å; C359-N1110 HydrophobicContact CB-CB 4.24Å; C359-N1110 VanDerWaalsContact SG-CB 3.54Å; C359-R1112 HydrophobicContact CB-CB 4.3Å
360	A	55.3	Low	56	Low	26 Å²	26	72.5 Å²	72.5	22%	0.215	41%	0.409	C	S	.	.			trans	-84.7	-19.4	-176.3	0	0	0	0	0	113.2	A355 N358 E362	A355-A360 PolarHBondContact O-N 3.15Å; N358-A360 HydrophobicContact CB-CB 4.5Å; N358-A360 PolarHBondContact O-N 2.73Å; A360-E362 PolarHBondContact O-N 3.06Å; A360-E362 VanDerWaalsContact O-N 3.14Å
361	A	49.7	Very low	53.5	Low	46 Å²	46	75.3 Å²	75.3	38%	0.38	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-71	-5.2	-168.7	0	0	0	0	0	115.6	A355	A355-A361 HydrophobicContact CB-CB 4.32Å
362	E	48.7	Very low	50.9	Low	47 Å²	47	75.9 Å²	75.9	22%	0.22	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-101.6	1.8	-164.7	-62.8	-172.3	145.9	0	0	116	A360 V364 R434 S1104 H1107	A360-E362 PolarHBondContact O-N 3.06Å; A360-E362 VanDerWaalsContact O-N 3.14Å; E362-V364 VanDerWaalsContact C-N 3.33Å; E362-R434 IonicContact OE1-CZ 3.44Å; E362-R434 IonicContact OE1-NH2 3.63Å; E362-R434 PolarHBondContact OE1-NH2 3.23Å; E362-R434 IonicContact OE2-NH2 2.67Å; E362-S1104 VanDerWaalsContact CD-CB 3.43Å; E362-S1104 WeakPolarHBondContact OE1-CB 3.16Å; E362-S1104 PolarHBondContact OE1-OG 2.92Å; E362-S1104 VanDerWaalsContact OE2-CB 3.3Å; E362-S1104 WeakPolarHBondContact OE2-CB 3.36Å; E362-H1107 IonicContact OE1-CD2 3.48Å; E362-H1107 PolarHBondContact OE1-CD2 2.92Å
363	F	31.7	Very low	48	Very low	194 Å²	194	79.3 Å²	79.3	85%	0.851	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-84.9	-3.2	166.6	-91.3	-81	0	0	0	114.1
364	V	29.3	Very low	45.2	Very low	111 Å²	111	88 Å²	88	67%	0.673	51%	0.51	S	S	*	.			trans	-121.5	89.5	179.8	-171.8	0	0	0	0	109.2	E362 D366	E362-V364 VanDerWaalsContact C-N 3.33Å; V364-D366 VanDerWaalsContact C-N 3.31Å; V364-D366 HydrophobicContact CG1-CB 4.34Å; V364-D366 PolarHBondContact O-N 3.4Å
365	N	27.8	Very low	42.4	Very low	144 Å²	144	92.4 Å²	92.4	77%	0.77	54%	0.538	S	S	*	.			trans	-52.3	98.3	154	-110	-5.8	0	0	0	107.5
366	D	30.2	Very low	39.8	Very low	104 Å²	104	97.6 Å²	97.6	56%	0.556	56%	0.558	S	S	*	*			trans	-172.1	105.5	157.7	-94.5	-22.4	0	0	0	110.6	V364 S368	V364-D366 VanDerWaalsContact C-N 3.31Å; V364-D366 HydrophobicContact CG1-CB 4.34Å; V364-D366 PolarHBondContact O-N 3.4Å; D366-S368 WeakPolarHBondContact CB-OG 3.41Å; D366-S368 PolarHBondContact O-N 3.27Å
367	L	33.9	Very low	37.2	Very low	148 Å²	148	103.7 Å²	103.7	78%	0.775	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	16.1	166.2	-75.9	157.9	0	0	0	112.6
368	S	27.8	Very low	34.5	Very low	69 Å²	69	110.5 Å²	110.5	48%	0.483	62%	0.623	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.7	-11.3	-167	64.5	0	0	0	0	114.8	D366 M370	D366-S368 WeakPolarHBondContact CB-OG 3.41Å; D366-S368 PolarHBondContact O-N 3.27Å; S368-M370 PolarHBondContact O-N 3.21Å
369	N	24.2	Very low	32	Very low	156 Å²	156	114.3 Å²	114.3	83%	0.834	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	36.3	-178.6	-75.9	-11.3	0	0	0	115
370	M	28	Very low	29.8	Very low	150 Å²	150	124.2 Å²	124.2	74%	0.739	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	-0.5	170.8	-100.3	-69.3	-154.5	0	0	113.8	L324 S368	L324-M370 HydrophobicContact CD1-CE 4.29Å; S368-M370 PolarHBondContact O-N 3.21Å
371	S	24.1	Very low	28.5	Very low	104 Å²	104	130 Å²	130	73%	0.727	71%	0.711	S	S	*	*	S	Bend	trans	-101.2	93.5	-179.8	56.6	0	0	0	0	112.9
372	G	22.4	Very low	27.7	Very low	73 Å²	73	133 Å²	133	75%	0.753	73%	0.729	S	S	*	*			trans	58.6	81	141.8	0	0	0	0	0	118.9	K374	G372-K374 PolarHBondContact O-N 3.22Å
373	S	22.6	Very low	26.9	Very low	122 Å²	122	138.8 Å²	138.8	85%	0.853	76%	0.757	S	S	*	*			trans	-78.9	106.5	145.1	56.1	0	0	0	0	108.1
374	K	21.5	Very low	27	Very low	191 Å²	191	133.5 Å²	133.5	83%	0.83	74%	0.74	S	S	*	*			trans	-53.2	134.2	169.6	-76.8	178.5	174.9	179	0	108.9	G372 N376	G372-K374 PolarHBondContact O-N 3.22Å; K374-N376 PolarHBondContact O-N 3.04Å
375	P	24.4	Very low	27.4	Very low	106 Å²	106	134.2 Å²	134.2	69%	0.688	74%	0.739	S	S	*	*			trans	-63	125.3	172.4	23.6	-24.6	0	0	0	107.6	E377	P375-E377 VanDerWaalsContact C-N 3.25Å; P375-E377 PolarHBondContact O-N 3.24Å
376	N	23.5	Very low	28.2	Very low	166 Å²	166	132.7 Å²	132.7	89%	0.888	74%	0.739	S	S	*	*			trans	-63.5	94.8	167.7	-87	-7.8	0	0	0	107.4	K374 D378	K374-N376 PolarHBondContact O-N 3.04Å; N376-D378 VanDerWaalsContact C-N 3.26Å; N376-D378 PolarHBondContact O-N 3.23Å
377	E	24.1	Very low	29.5	Very low	173 Å²	173	136.8 Å²	136.8	81%	0.808	75%	0.747	S	S	*	*			trans	-71	82.6	165.9	-69.3	-177.4	163.4	0	0	107.6	P375	P375-E377 VanDerWaalsContact C-N 3.25Å; P375-E377 PolarHBondContact O-N 3.24Å
378	D	24.9	Very low	31.2	Very low	161 Å²	161	131.3 Å²	131.3	86%	0.861	72%	0.721	S	S	*	*			trans	-173.3	109.9	156.3	-93.4	-27.3	0	0	0	111	N376	N376-D378 VanDerWaalsContact C-N 3.26Å; N376-D378 PolarHBondContact O-N 3.23Å
379	C	25.6	Very low	33.6	Very low	91 Å²	91	130 Å²	130	62%	0.615	71%	0.708	S	S	*	*			trans	154.2	81.6	138.3	-157.8	0	0	0	0	109.9	K381	C379-K381 PolarHBondContact O-N 3.01Å
380	F	26	Very low	36.6	Very low	227 Å²	227	122.8 Å²	122.8	100%	0.996	67%	0.67	S	S	*	*			trans	-72	89.3	167.4	-73.9	-85.1	0	0	0	109.4
381	K	27.4	Very low	39.6	Very low	147 Å²	147	115.7 Å²	115.7	64%	0.639	64%	0.635	S	S	*	*			trans	-101.6	131.5	165.2	-75.6	-177.6	-178.8	-179.6	0	109.9	C379 E383 T384	C379-K381 PolarHBondContact O-N 3.01Å; K381-E383 PolarHBondContact O-N 3.43Å; K381-T384 PolarHBondContact O-N 3.36Å; K381-T384 PolarHBondContact O-OG1 3.1Å
382	S	32.9	Very low	42.8	Very low	108 Å²	108	110.8 Å²	110.8	76%	0.755	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.9	-12.4	-171.9	-147.1	0	0	0	0	115.5
383	E	31.7	Very low	46.1	Very low	170 Å²	170	107.8 Å²	107.8	79%	0.794	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	-15.9	-178.8	-71.3	178.4	168	0	0	113.8	K381 I385	K381-E383 PolarHBondContact O-N 3.43Å; E383-I385 PolarHBondContact O-N 3.47Å
384	T	33.9	Very low	49.5	Very low	82 Å²	82	102 Å²	102	50%	0.503	53%	0.527	S	S	.	.	S	Bend	trans	-76.3	-22.1	-175.6	-34.1	0	0	0	0	113.6	K381 S386 R387	K381-T384 PolarHBondContact O-N 3.36Å; K381-T384 PolarHBondContact O-OG1 3.1Å; T384-S386 PolarHBondContact O-N 3.44Å; T384-R387 PolarHBondContact O-N 2.97Å
385	I	38.7	Very low	52.9	Low	126 Å²	126	93.5 Å²	93.5	65%	0.646	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-61.6	-35.9	-177	-57.8	175.9	0	0	0	110.8	E383 R387 S388	E383-I385 PolarHBondContact O-N 3.47Å; I385-R387 PolarHBondContact O-N 2.89Å; I385-R387 VanDerWaalsContact O-N 3.11Å; I385-S388 PolarHBondContact O-N 3.38Å; I385-S388 PolarHBondContact O-OG 2.82Å
386	S	45.2	Very low	56.1	Low	112 Å²	112	88.5 Å²	88.5	78%	0.783	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-64.5	-15.7	-177.4	-44.3	0	0	0	0	114.7	T384	T384-S386 PolarHBondContact O-N 3.44Å
387	R	56.4	Low	59.5	Low	191 Å²	191	81.7 Å²	81.7	72%	0.721	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-114.7	1.6	178.1	-82.9	-176.9	175.8	168.7	-0.5	114.4	T348 T384 I385	T348-R387 HydrophobicContact CG2-CB 4.37Å; T384-R387 PolarHBondContact O-N 2.97Å; I385-R387 PolarHBondContact O-N 2.89Å; I385-R387 VanDerWaalsContact O-N 3.11Å
388	S	70.9	Confident	62.6	Low	32 Å²	32	77.3 Å²	77.3	22%	0.224	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-68.9	132.9	179.8	64.7	0	0	0	0	111.3	I385	I385-S388 PolarHBondContact O-N 3.38Å; I385-S388 PolarHBondContact O-OG 2.82Å
389	L	78.3	Confident	65.7	Low	42 Å²	42	72.8 Å²	72.8	22%	0.22	39%	0.385	C	S	.	.	B	Isolated β-bridge	trans	-94.6	143.5	177.7	-76.7	161.6	0	0	0	110	M294 W346 K347 V349 C391	M294-L389 HydrophobicContact CE-CD1 4.25Å; W346-L389 VanDerWaalsContact CB-O 3.31Å; W346-L389 WeakPolarHBondContact CB-O 3.34Å; K347-L389 PolarHBondContact O-N 2.89Å; V349-L389 HydrophobicContact CB-CD1 4.29Å; V349-L389 HydrophobicContact CG2-CD1 3.38Å; L389-C391 PolarHBondContact O-N 3.48Å; L389-C391 VanDerWaalsContact O-N 3.1Å; L389-C391 PolarHBondContact O-SG 2.86Å; L389-C391 VanDerWaalsContact O-SG 3.39Å
390	P	86.4	Confident	68.9	Low	4 Å²	4	72.1 Å²	72.1	3%	0.026	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-52.7	119.1	172.7	-26	34.9	0	0	0	111.3	A312 L313 M320 L340 W346	A312-P390 HydrophobicContact CB-CG 3.83Å; L313-P390 HydrophobicContact CD2-CG 4.35Å; M320-P390 PolarHBondContact N-O 2.83Å; L340-P390 HydrophobicContact CD1-CB 3.96Å; W346-P390 HydrophobicContact CE3-CG 4.41Å; W346-P390 HydrophobicContact CH2-CB 4.1Å; W346-P390 HydrophobicContact CH2-CG 3.96Å; W346-P390 HydrophobicContact CZ2-CB 4.06Å; W346-P390 HydrophobicContact CZ2-CG 4.43Å; W346-P390 HydrophobicContact CZ3-CB 4.35Å; W346-P390 HydrophobicContact CZ3-CG 3.94Å
391	C	90.1	Very high	72	Confident	2 Å²	2	64.9 Å²	64.9	1%	0.014	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	145.4	177.7	-67.4	0	0	0	0	111.5	M320 L340 L341 K347 L389	M320-C391 CarbonylContact O-C 3.59Å; M320-C391 VanDerWaalsContact O-CA 3.25Å; M320-C391 WeakPolarHBondContact O-CA 3.48Å; L340-C391 VanDerWaalsContact CD1-O 3.25Å; L340-C391 WeakPolarHBondContact CD1-O 3.41Å; L341-C391 WeakPolarHBondContact CB-O 3.32Å; L341-C391 HydrophobicContact CD1-CB 4.04Å; L341-C391 PolarHBondContact N-O 2.93Å; K347-C391 PolarHBondContact N-SG 2.74Å; L389-C391 PolarHBondContact O-N 3.48Å; L389-C391 VanDerWaalsContact O-N 3.1Å; L389-C391 PolarHBondContact O-SG 2.86Å; L389-C391 VanDerWaalsContact O-SG 3.39Å
392	G	90.9	Very high	75	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	-175.7	176.3	0	0	0	0	0	112.9	M320 I321 R339	M320-G392 PolarHBondContact O-N 2.97Å; I321-G392 VanDerWaalsContact CD1-O 3.24Å; I321-G392 WeakPolarHBondContact CD1-O 3.42Å; R339-G392 CarbonylContact O-C 3.44Å; R339-G392 WeakPolarHBondContact O-CA 3.49Å
393	F	93.1	Very high	77.7	Confident	11 Å²	11	56.1 Å²	56.1	5%	0.048	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	152.8	173	64.3	-83	0	0	0	110.7	P250 H326 V338 R339 L341 V395	P250-F393 HydrophobicContact CB-CD2 3.96Å; P250-F393 HydrophobicContact CB-CE2 3.97Å; P250-F393 HydrophobicContact CB-CG 4.25Å; P250-F393 HydrophobicContact CB-CZ 4.29Å; P250-F393 HydrophobicContact CG-CB 4.49Å; P250-F393 HydrophobicContact CG-CD1 3.95Å; P250-F393 HydrophobicContact CG-CD2 4.18Å; P250-F393 HydrophobicContact CG-CE1 4.13Å; P250-F393 HydrophobicContact CG-CE2 4.35Å; P250-F393 HydrophobicContact CG-CG 3.96Å; P250-F393 HydrophobicContact CG-CZ 4.32Å; H326-F393 HydrophobicContact CB-CB 3.74Å; H326-F393 WeakPolarHBondContact O-CA 3.36Å; V338-F393 VanDerWaalsContact CA-O 3.24Å; V338-F393 WeakPolarHBondContact CA-O 3.37Å; V338-F393 WeakPolarHBondContact CB-O 3.33Å; R339-F393 HydrophobicContact CB-CE1 3.98Å; R339-F393 HydrophobicContact CB-CE2 4.41Å; R339-F393 HydrophobicContact CB-CZ 3.92Å; R339-F393 HydrophobicContact CG-CE1 4.16Å; R339-F393 HydrophobicContact CG-CZ 4.19Å; R339-F393 PolarHBondContact N-O 3.25Å; R339-F393 PolarHBondContact O-N 3.44Å; L341-F393 HydrophobicContact CD2-CD1 3.63Å; L341-F393 HydrophobicContact CD2-CE1 3.92Å; L341-F393 HydrophobicContact CG-CD1 4.04Å; F393-V395 HydrophobicContact CD2-CG1 3.91Å; F393-V395 HydrophobicContact CE2-CG1 3.47Å; F393-V395 VanDerWaalsContact CE2-CG1 3.47Å; F393-V395 HydrophobicContact CZ-CG1 4.24Å
394	V	94.5	Very high	80.6	Confident	1 Å²	1	50 Å²	50	1%	0.006	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	122.9	-177.9	178.2	0	0	0	0	110	Y262 H326 N328 A330 V336 V338 V397	Y262-V394 HydrophobicContact CE1-CG1 4.14Å; H326-V394 PolarHBondContact O-N 2.86Å; N328-V394 HydrophobicContact CB-CB 4.28Å; N328-V394 PolarHBondContact ND2-O 2.8Å; A330-V394 HydrophobicContact CB-CG1 4.44Å; A330-V394 HydrophobicContact CB-CG2 4.45Å; V336-V394 HydrophobicContact CB-CG1 4.2Å; V336-V394 HydrophobicContact CB-CG2 4.33Å; V336-V394 HydrophobicContact CG1-CG1 4.31Å; V336-V394 HydrophobicContact CG1-CG2 4.46Å; V336-V394 HydrophobicContact CG2-CG2 4.45Å; V338-V394 HydrophobicContact CG1-CG2 4.02Å; V394-V397 HydrophobicContact CG1-CG2 4.42Å
395	V	92.7	Very high	83.5	Confident	11 Å²	11	46.1 Å²	46.1	7%	0.067	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	-13.3	176.6	-65.7	0	0	0	0	113	Y262 L263 L268 F277 V337 R339 F393	Y262-V395 WeakPolarHBondContact CA-O 3.33Å; L263-V395 HydrophobicContact CD1-CB 3.99Å; L263-V395 HydrophobicContact CD1-CG1 4.48Å; L263-V395 HydrophobicContact CD1-CG2 4.39Å; L263-V395 HydrophobicContact CG-CB 4.34Å; L263-V395 PolarHBondContact N-O 2.96Å; L268-V395 HydrophobicContact CD2-CG2 3.92Å; F277-V395 HydrophobicContact CD1-CG2 4.02Å; F277-V395 HydrophobicContact CE1-CG1 4.32Å; F277-V395 HydrophobicContact CE1-CG2 3.9Å; F277-V395 HydrophobicContact CG-CG2 4.39Å; F277-V395 HydrophobicContact CZ-CG2 4.25Å; V337-V395 HydrophobicContact CB-CG2 4.11Å; V337-V395 HydrophobicContact CG1-CG2 3.76Å; V337-V395 VanDerWaalsContact O-CG2 3.3Å; V337-V395 WeakPolarHBondContact O-CG2 3.13Å; V337-V395 PolarHBondContact O-N 3.32Å; R339-V395 HydrophobicContact CB-CG1 3.95Å; F393-V395 HydrophobicContact CD2-CG1 3.91Å; F393-V395 HydrophobicContact CE2-CG1 3.47Å; F393-V395 VanDerWaalsContact CE2-CG1 3.47Å; F393-V395 HydrophobicContact CZ-CG1 4.24Å
396	G	92	Very high	86.3	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.6	157	177.3	0	0	0	0	0	112.6	V337	V337-G396 PolarHBondContact N-O 2.89Å; V337-G396 PolarHBondContact O-N 2.95Å
397	V	93.5	Very high	88.7	Confident	23 Å²	23	34.8 Å²	34.8	14%	0.139	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	126.7	173.5	-175.7	0	0	0	0	108.6	Y262 A330 D334 V336 V394 H400	Y262-V397 HydrophobicContact CE1-CG2 4.29Å; Y262-V397 HydrophobicContact CE2-CB 4.48Å; Y262-V397 HydrophobicContact CE2-CG2 3.98Å; Y262-V397 VanDerWaalsContact OH-CG2 3.27Å; Y262-V397 WeakPolarHBondContact OH-CG2 3.47Å; A330-V397 HydrophobicContact CB-CG2 4.11Å; D334-V397 HydrophobicContact CB-CG1 4.1Å; V336-V397 HydrophobicContact CG1-CG2 4.21Å; V394-V397 HydrophobicContact CG1-CG2 4.42Å; V397-H400 VanDerWaalsContact CG1-CE1 3.48Å; V397-H400 WeakPolarHBondContact CG1-CE1 3.49Å
398	I	89.8	Confident	90.5	Very high	81 Å²	81	25.7 Å²	25.7	42%	0.415	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	-43	178.6	-66.2	170.8	0	0	0	110.4	L272 K279 V335 V337	L272-I398 HydrophobicContact CD1-CD1 4.38Å; K279-I398 HydrophobicContact CD-CD1 3.63Å; K279-I398 HydrophobicContact CG-CD1 3.89Å; V335-I398 HydrophobicContact CG1-CB 4.25Å; V335-I398 HydrophobicContact CG1-CD1 4.48Å; V335-I398 PolarHBondContact O-N 3.36Å; V337-I398 HydrophobicContact CG2-CD1 3.48Å; V337-I398 VanDerWaalsContact CG2-CD1 3.48Å; V337-I398 HydrophobicContact CG2-CG1 3.69Å
399	S	90.9	Very high	91.5	Very high	66 Å²	66	24.9 Å²	24.9	46%	0.462	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	124.9	-179.4	-173.4	0	0	0	0	109	V335	V335-S399 PolarHBondContact N-O 3.05Å; V335-S399 PolarHBondContact O-N 3.47Å
400	H	91.1	Very high	91.8	Very high	77 Å²	77	25.1 Å²	25.1	36%	0.356	13%	0.133	S	C	.	.			trans	-79	146.7	172.7	-67.4	-69.5	0	0	0	111.1	D334 V397 W402	D334-H400 VanDerWaalsContact OD1-CA 3.25Å; D334-H400 WeakPolarHBondContact OD1-CA 3.17Å; D334-H400 IonicContact OD1-ND1 3.47Å; D334-H400 IonicContact OD2-ND1 3.74Å; D334-H400 PolarHBondContact OD2-ND1 3.41Å; V397-H400 VanDerWaalsContact CG1-CE1 3.48Å; V397-H400 WeakPolarHBondContact CG1-CE1 3.49Å; H400-W402 HydrophobicContact CB-CD2 3.92Å; H400-W402 HydrophobicContact CB-CE3 4.48Å; H400-W402 HydrophobicContact CB-CG 3.96Å; H400-W402 AromaticContact CE1-CZ2 3.66Å; H400-W402 AromaticContact CG-CE2 3.69Å; H400-W402 AromaticContact CG-CZ2 3.83Å; H400-W402 AromaticContact CG-NE1 3.93Å; H400-W402 AromaticContact ND1-CE2 3.59Å; H400-W402 AromaticContact ND1-CZ2 3.6Å; H400-W402 AromaticContact ND1-NE1 3.59Å; H400-W402 AromaticContact NE2-CZ2 3.95Å
401	N	91	Very high	91.4	Very high	75 Å²	75	27.4 Å²	27.4	40%	0.401	15%	0.148	S	C	.	.			trans	-104.5	36	171.5	-171.6	48.4	0	0	0	110.9	D332 G333 D334 R403 Y405	D332-N401 PolarHBondContact O-ND2 3.15Å; D332-N401 VanDerWaalsContact O-ND2 3.16Å; G333-N401 VanDerWaalsContact C-CB 3.43Å; G333-N401 WeakPolarHBondContact O-CB 3.26Å; D334-N401 PolarHBondContact OD1-N 3.22Å; N401-R403 PolarHBondContact O-N 3.3Å; N401-Y405 PolarHBondContact O-OH 3.13Å
402	W	91.1	Very high	90.4	Very high	40 Å²	40	32 Å²	32	15%	0.152	17%	0.167	C	C	.	.			trans	-69.8	124	177.3	-62.7	-12.4	0	0	0	110.5	H400 Y405 I458 D459	H400-W402 HydrophobicContact CB-CD2 3.92Å; H400-W402 HydrophobicContact CB-CE3 4.48Å; H400-W402 HydrophobicContact CB-CG 3.96Å; H400-W402 AromaticContact CE1-CZ2 3.66Å; H400-W402 AromaticContact CG-CE2 3.69Å; H400-W402 AromaticContact CG-CZ2 3.83Å; H400-W402 AromaticContact CG-NE1 3.93Å; H400-W402 AromaticContact ND1-CE2 3.59Å; H400-W402 AromaticContact ND1-CZ2 3.6Å; H400-W402 AromaticContact ND1-NE1 3.59Å; H400-W402 AromaticContact NE2-CZ2 3.95Å; W402-Y405 WeakPolarHBondContact CA-OH 3.46Å; W402-I458 HydrophobicContact CB-CB 4.43Å; W402-I458 HydrophobicContact CD2-CB 3.95Å; W402-I458 HydrophobicContact CD2-CG2 3.61Å; W402-I458 HydrophobicContact CE3-CB 4.19Å; W402-I458 HydrophobicContact CE3-CG2 3.77Å; W402-I458 HydrophobicContact CG-CB 4.06Å; W402-I458 HydrophobicContact CG-CG2 4.19Å; W402-I458 HydrophobicContact CH2-CG2 4.1Å; W402-I458 HydrophobicContact CZ2-CG2 3.93Å; W402-I458 HydrophobicContact CZ3-CG2 4.03Å; W402-D459 VanDerWaalsContact CZ3-O 3.23Å; W402-D459 WeakPolarHBondContact CZ3-O 3.46Å
403	R	90.8	Very high	88.8	Confident	31 Å²	31	36 Å²	36	12%	0.117	20%	0.196	C	C	.	.			trans	-127.1	-170.4	-179.8	60.7	174.7	176.8	92.6	-5.8	110.3	N401 Y405 D433 E492 N494	N401-R403 PolarHBondContact O-N 3.3Å; R403-Y405 HydrophobicContact CG-CD1 4.05Å; R403-Y405 HydrophobicContact CG-CE1 3.45Å; R403-Y405 VanDerWaalsContact CG-CE1 3.45Å; R403-Y405 HydrophobicContact CG-CE2 4.32Å; R403-Y405 PolarHBondContact N-OH 3.01Å; R403-Y405 WeakPolarHBondContact O-CD2 3.38Å; R403-Y405 WeakPolarHBondContact O-CE2 3.37Å; R403-D433 IonicContact NH2-OD2 2.73Å; R403-E492 IonicContact CZ-OE2 2.88Å; R403-E492 VanDerWaalsContact CZ-OE2 3.25Å; R403-E492 PolarHBondContact NH1-O 3.48Å; R403-E492 IonicContact NH1-OE2 2.97Å; R403-E492 PolarHBondContact NH1-OE2 3.24Å; R403-E492 PolarHBondContact NH2-O 3.36Å; R403-E492 IonicContact NH2-OE2 3.26Å; R403-E492 PolarHBondContact NH2-OE2 2.82Å; R403-N494 VanDerWaalsContact CD-OD1 3.29Å; R403-N494 WeakPolarHBondContact CD-OD1 3.35Å
404	D	91.7	Very high	86.7	Confident	41 Å²	41	40.9 Å²	40.9	22%	0.219	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	128.4	169.4	-70.5	-3	0	0	0	108.9	I455 R457 I491	D404-I455 HydrophobicContact CB-CG2 3.65Å; D404-R457 IonicContact OD1-CZ 2.71Å; D404-R457 IonicContact OD1-NE 2.71Å; D404-R457 PolarHBondContact OD1-NE 3.24Å; D404-R457 IonicContact OD1-NH2 2.67Å; D404-R457 PolarHBondContact OD1-NH2 3.45Å; D404-R457 IonicContact OD2-CZ 3.63Å; D404-R457 IonicContact OD2-NH2 3.73Å; D404-R457 PolarHBondContact OD2-NH2 3.24Å; D404-I491 HydrophobicContact CB-CG2 4.29Å
405	Y	95.4	Very high	84.5	Confident	1 Å²	1	45.1 Å²	45.1	0%	0.004	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	127.7	-179.2	-58.7	-70.7	0	0	0	109.4	N401 W402 R403 C407 I436 I439 I455 V456 I458	N401-Y405 PolarHBondContact O-OH 3.13Å; W402-Y405 WeakPolarHBondContact CA-OH 3.46Å; R403-Y405 HydrophobicContact CG-CD1 4.05Å; R403-Y405 HydrophobicContact CG-CE1 3.45Å; R403-Y405 VanDerWaalsContact CG-CE1 3.45Å; R403-Y405 HydrophobicContact CG-CE2 4.32Å; R403-Y405 PolarHBondContact N-OH 3.01Å; R403-Y405 WeakPolarHBondContact O-CD2 3.38Å; R403-Y405 WeakPolarHBondContact O-CE2 3.37Å; Y405-C407 PolarHBondContact O-N 3.24Å; Y405-C407 PolarHBondContact O-SG 3.34Å; Y405-I436 HydrophobicContact CD1-CB 4.43Å; Y405-I436 HydrophobicContact CD1-CD1 4.26Å; Y405-I436 HydrophobicContact CD1-CG1 3.76Å; Y405-I436 HydrophobicContact CD1-CG2 4.06Å; Y405-I436 HydrophobicContact CD2-CG2 4.44Å; Y405-I436 HydrophobicContact CE1-CB 4.43Å; Y405-I436 HydrophobicContact CE1-CD1 3.51Å; Y405-I436 HydrophobicContact CE1-CG1 3.54Å; Y405-I436 HydrophobicContact CE1-CG2 4.04Å; Y405-I436 HydrophobicContact CE2-CG2 4.43Å; Y405-I436 HydrophobicContact CG-CG2 4.25Å; Y405-I439 HydrophobicContact CD2-CD1 4.21Å; Y405-I455 WeakPolarHBondContact O-CA 3.33Å; Y405-V456 PolarHBondContact N-O 3.44Å; Y405-V456 PolarHBondContact O-N 2.98Å; Y405-I458 HydrophobicContact CD2-CD1 4.12Å; Y405-I458 HydrophobicContact CD2-CG1 4.11Å; Y405-I458 HydrophobicContact CE2-CD1 3.57Å; Y405-I458 HydrophobicContact CE2-CG1 3.87Å
406	V	96.2	Very high	82.4	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	127.3	171.8	-176.5	0	0	0	0	107.7	P431 W432 R453 L476 T488 I491 E492	V406-P431 CarbonylContact O-C 3.13Å; V406-P431 WeakPolarHBondContact O-CA 3.48Å; V406-W432 HydrophobicContact CB-CB 4.22Å; V406-W432 WeakPolarHBondContact O-CB 3.14Å; V406-W432 PolarHBondContact O-N 3.39Å; V406-R453 HydrophobicContact CG1-CB 4.05Å; V406-L476 HydrophobicContact CG1-CD1 3.88Å; V406-L476 HydrophobicContact CG2-CD1 3.95Å; V406-T488 HydrophobicContact CB-CG2 3.96Å; V406-T488 HydrophobicContact CG1-CG2 3.74Å; V406-T488 HydrophobicContact CG2-CG2 4.11Å; V406-I491 HydrophobicContact CG2-CB 4.01Å; V406-I491 HydrophobicContact CG2-CD1 4.45Å; V406-I491 HydrophobicContact CG2-CG2 3.8Å; V406-E492 HydrophobicContact CB-CG 4.47Å; V406-E492 HydrophobicContact CG2-CG 4.24Å; V406-E492 PolarHBondContact N-OE1 2.84Å
407	C	96.1	Very high	80.2	Confident	0 Å²	0	56 Å²	56	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	158.9	-174.1	-63.7	0	0	0	0	110.7	Y405 V429 T430 F454 V456	Y405-C407 PolarHBondContact O-N 3.24Å; Y405-C407 PolarHBondContact O-SG 3.34Å; C407-V429 HydrophobicContact CB-CB 4.15Å; C407-V429 HydrophobicContact CB-CG2 3.9Å; C407-T430 WeakPolarHBondContact CA-O 3.44Å; C407-F454 HydrophobicContact CB-CD2 4.38Å; C407-F454 HydrophobicContact CB-CE2 3.99Å; C407-F454 HydrophobicContact CB-CZ 4.32Å; C407-F454 PolarHBondContact N-O 3.31Å; C407-F454 PolarHBondContact O-N 3.37Å; C407-V456 HydrophobicContact CB-CB 4.45Å; C407-V456 HydrophobicContact CB-CG2 3.96Å
408	T	94.4	Very high	78	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	139.1	171.5	-64.8	0	0	0	0	108.8	V410 T430 E452 R453 I479 V1105	T408-V410 HydrophobicContact CG2-CG2 4.28Å; T408-T430 PolarHBondContact N-O 3.36Å; T408-T430 PolarHBondContact O-N 2.93Å; T408-E452 PolarHBondContact OG1-O 3.4Å; T408-R453 WeakPolarHBondContact OG1-CD 3.4Å; T408-R453 PolarHBondContact OG1-NH1 3.39Å; T408-R453 VanDerWaalsContact OG1-NH1 3.1Å; T408-I479 HydrophobicContact CG2-CD1 3.63Å; T408-I479 HydrophobicContact CG2-CG1 4.48Å; T408-V1105 HydrophobicContact CG2-CG1 4.33Å
409	Y	91.8	Very high	75.9	Confident	15 Å²	15	64.6 Å²	64.6	6%	0.059	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-88.4	120.1	169.3	174.7	-121.8	0	0	0	109.5	P411 E415 I427 I446	Y409-P411 HydrophobicContact CD1-CG 4.26Å; Y409-P411 HydrophobicContact CE1-CB 4.33Å; Y409-P411 HydrophobicContact CE1-CG 3.83Å; Y409-E415 PolarHBondContact OH-OE2 3.04Å; Y409-I427 HydrophobicContact CD1-CD1 4.46Å; Y409-I427 HydrophobicContact CD2-CB 4.06Å; Y409-I427 HydrophobicContact CD2-CD1 3.87Å; Y409-I427 HydrophobicContact CD2-CG1 4.45Å; Y409-I427 HydrophobicContact CE2-CB 3.87Å; Y409-I427 HydrophobicContact CE2-CD1 4.41Å; Y409-I427 HydrophobicContact CE2-CG2 4.02Å; Y409-I427 HydrophobicContact CG-CD1 3.91Å; Y409-I446 HydrophobicContact CD1-CG2 4.12Å; Y409-I446 HydrophobicContact CE1-CG2 3.42Å; Y409-I446 VanDerWaalsContact CE1-CG2 3.42Å
410	V	84.8	Confident	73.8	Confident	48 Å²	48	67.7 Å²	67.7	29%	0.291	38%	0.379	S	S	.	.			trans	-108.1	106.6	174.6	-175.5	0	0	0	0	107.6	T408 V1105 A1106	T408-V410 HydrophobicContact CG2-CG2 4.28Å; V410-V1105 HydrophobicContact CG2-CB 4.49Å; V410-V1105 HydrophobicContact CG2-CG1 4.13Å; V410-A1106 HydrophobicContact CG2-CB 4.18Å
411	P	78.5	Confident	71.9	Confident	52 Å²	52	73.3 Å²	73.3	34%	0.338	40%	0.402	S	S	.	.			trans	-58.4	139.1	178.8	-22.7	32	0	0	0	111.2	Y409 T450	Y409-P411 HydrophobicContact CD1-CG 4.26Å; Y409-P411 HydrophobicContact CE1-CB 4.33Å; Y409-P411 HydrophobicContact CE1-CG 3.83Å; P411-T450 HydrophobicContact CG-CG2 3.78Å
412	K	67.7	Low	70.4	Confident	97 Å²	97	74.2 Å²	74.2	42%	0.422	41%	0.414	S	S	.	.			trans	-72.4	140.8	174.9	-68.5	177.4	-178.5	172.2	0	109.3	T414 E415	K412-T414 PolarHBondContact O-N 3.32Å; K412-T414 VanDerWaalsContact O-N 3.12Å; K412-E415 HydrophobicContact CB-CG 4.23Å; K412-E415 WeakPolarHBondContact O-CA 3.31Å; K412-E415 WeakPolarHBondContact O-CB 3.39Å; K412-E415 PolarHBondContact O-N 3.26Å
413	S	57.4	Low	69.5	Low	86 Å²	86	78.7 Å²	78.7	60%	0.601	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-56	-30.5	175.7	53	0	0	0	0	112.9	E415 N416	S413-E415 VanDerWaalsContact C-N 3.3Å; S413-E415 PolarHBondContact O-N 3.13Å; S413-N416 WeakPolarHBondContact O-CB 3.46Å; S413-N416 PolarHBondContact O-N 2.98Å
414	T	50.5	Low	68.9	Low	113 Å²	113	80.2 Å²	80.2	69%	0.693	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-70.9	-18.1	173.6	28.2	0	0	0	0	114.5	K412 N416	K412-T414 PolarHBondContact O-N 3.32Å; K412-T414 VanDerWaalsContact O-N 3.12Å; T414-N416 VanDerWaalsContact C-N 3.34Å
415	E	47.4	Very low	68.6	Low	90 Å²	90	79.2 Å²	79.2	42%	0.421	45%	0.451	S	S	.	.	G	3₁₀ helix	trans	-83.6	-9.5	174.1	-70.5	178.1	178.1	0	0	112.6	Y409 K412 S413 S417 L418	Y409-E415 PolarHBondContact OH-OE2 3.04Å; K412-E415 HydrophobicContact CB-CG 4.23Å; K412-E415 WeakPolarHBondContact O-CA 3.31Å; K412-E415 WeakPolarHBondContact O-CB 3.39Å; K412-E415 PolarHBondContact O-N 3.26Å; S413-E415 VanDerWaalsContact C-N 3.3Å; S413-E415 PolarHBondContact O-N 3.13Å; E415-S417 PolarHBondContact O-N 3.42Å; E415-L418 PolarHBondContact O-N 3.02Å; E415-L418 VanDerWaalsContact O-N 3.12Å
416	N	47.7	Very low	68.2	Low	135 Å²	135	84.4 Å²	84.4	72%	0.722	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-64.2	-10.5	172.8	-72	-9.4	0	0	0	113.2	S413 T414	S413-N416 WeakPolarHBondContact O-CB 3.46Å; S413-N416 PolarHBondContact O-N 2.98Å; T414-N416 VanDerWaalsContact C-N 3.34Å
417	S	46.1	Very low	68	Low	105 Å²	105	85 Å²	85	73%	0.734	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-100.8	8.4	176.8	-58.1	0	0	0	0	114.2	E415	E415-S417 PolarHBondContact O-N 3.42Å
418	L	47.1	Very low	67.8	Low	143 Å²	143	87.3 Å²	87.3	75%	0.749	49%	0.486	S	S	*	.			trans	-93.4	120.2	-179.2	-131.2	79.4	0	0	0	113.1	E415	E415-L418 PolarHBondContact O-N 3.02Å; E415-L418 VanDerWaalsContact O-N 3.12Å
419	D	46.5	Very low	67.8	Low	141 Å²	141	87.3 Å²	87.3	75%	0.754	49%	0.486	S	S	*	.			trans	-31.7	140.4	164.7	-65.1	-54.7	0	0	0	114.8	K421	D419-K421 PolarHBondContact O-N 3.36Å
420	S	47.6	Very low	68	Low	131 Å²	131	87.9 Å²	87.9	92%	0.916	49%	0.491	S	S	*	.	S	Bend	trans	-62	45.8	-175.5	-47.3	0	0	0	0	117.4
421	K	49.6	Very low	68.5	Low	196 Å²	196	85.7 Å²	85.7	85%	0.852	48%	0.478	S	S	*	.			trans	-134.6	7	-171.4	-77.2	-164.3	177.8	-178	0	121.1	D419	D419-K421 PolarHBondContact O-N 3.36Å
422	S	59.5	Low	69.3	Low	93 Å²	93	85.7 Å²	85.7	65%	0.65	47%	0.471	S	S	*	.			trans	-131.9	92	165.4	-76.7	0	0	0	0	112.5	S424	S422-S424 PolarHBondContact O-N 3.06Å
423	E	72.1	Confident	70.5	Confident	134 Å²	134	81.9 Å²	81.9	63%	0.626	46%	0.455	S	S	*	.	S	Bend	trans	-69.3	-17.6	165.2	-68.4	-167.6	145.4	0	0	112.3	T444 Q445 I446	E423-T444 CarbonylContact C-O 3.21Å; E423-T444 CarbonylContact O-C 3.43Å; E423-T444 VanDerWaalsContact O-O 3.05Å; E423-Q445 PolarHBondContact O-N 3.16Å; E423-I446 WeakPolarHBondContact O-CG1 3.44Å; E423-I446 PolarHBondContact O-N 3.07Å
424	S	78.4	Confident	72.2	Confident	63 Å²	63	80.2 Å²	80.2	44%	0.441	44%	0.436	S	S	.	.	S	Bend	trans	-112.5	135.1	-179.9	64.4	0	0	0	0	112.8	S422 T443	S422-S424 PolarHBondContact O-N 3.06Å; S424-T443 CarbonylContact C-O 3.53Å; S424-T443 VanDerWaalsContact CA-O 3.24Å; S424-T443 WeakPolarHBondContact CA-O 3.38Å
425	G	86.1	Confident	74.2	Confident	20 Å²	20	77.1 Å²	77.1	21%	0.206	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.9	-175.1	173.4	0	0	0	0	0	113.6	T443	G425-T443 PolarHBondContact N-O 3.05Å; G425-T443 PolarHBondContact O-N 3.21Å
426	W	87.6	Confident	76.5	Confident	110 Å²	110	73.3 Å²	73.3	42%	0.417	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	125.3	172.3	-72.3	93.6	0	0	0	110.4	V219 R440 L441 H442	V219-W426 HydrophobicContact CG1-CH2 4.18Å; V219-W426 HydrophobicContact CG1-CZ2 3.58Å; W426-R440 HydrophobicContact CE3-CB 4.34Å; W426-L441 CarbonylContact C-O 3.44Å; W426-L441 WeakPolarHBondContact CA-O 3.25Å; W426-H442 HydrophobicContact CD2-CB 3.95Å; W426-H442 HydrophobicContact CE3-CB 3.92Å; W426-H442 HydrophobicContact CH2-CB 3.99Å; W426-H442 HydrophobicContact CZ2-CB 4.02Å; W426-H442 HydrophobicContact CZ3-CB 3.95Å; W426-H442 AromaticContact NE1-CD2 3.92Å
427	I	91.1	Very high	78.7	Confident	12 Å²	12	67.7 Å²	67.7	6%	0.062	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	162.9	173.9	61.2	170.3	0	0	0	110.7	Y409 V429 R440 L441 T443 I446 L449	Y409-I427 HydrophobicContact CD1-CD1 4.46Å; Y409-I427 HydrophobicContact CD2-CB 4.06Å; Y409-I427 HydrophobicContact CD2-CD1 3.87Å; Y409-I427 HydrophobicContact CD2-CG1 4.45Å; Y409-I427 HydrophobicContact CE2-CB 3.87Å; Y409-I427 HydrophobicContact CE2-CD1 4.41Å; Y409-I427 HydrophobicContact CE2-CG2 4.02Å; Y409-I427 HydrophobicContact CG-CD1 3.91Å; I427-V429 HydrophobicContact CD1-CG1 3.71Å; I427-V429 HydrophobicContact CG1-CG1 3.99Å; I427-R440 WeakPolarHBondContact O-CA 3.38Å; I427-L441 HydrophobicContact CD1-CD2 4.42Å; I427-L441 HydrophobicContact CG1-CB 4.19Å; I427-L441 WeakPolarHBondContact CG1-O 3.33Å; I427-L441 PolarHBondContact N-O 2.79Å; I427-L441 PolarHBondContact O-N 3.27Å; I427-T443 HydrophobicContact CD1-CG2 3.71Å; I427-T443 HydrophobicContact CG1-CG2 4Å; I427-T443 HydrophobicContact CG2-CG2 4.42Å; I427-I446 HydrophobicContact CG2-CD1 3.71Å; I427-I446 HydrophobicContact CG2-CG1 3.75Å; I427-I446 HydrophobicContact CG2-CG2 4.18Å; I427-L449 HydrophobicContact CD1-CD1 4.11Å
428	I	92.5	Very high	81.1	Confident	49 Å²	49	64.6 Å²	64.6	25%	0.251	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	120.7	171	-61	175.9	0	0	0	107	L438 I439 R440 Y467	I428-L438 HydrophobicContact CG2-CB 3.64Å; I428-L438 HydrophobicContact CG2-CD1 3.94Å; I428-L438 HydrophobicContact CG2-CG 4.36Å; I428-I439 CarbonylContact C-O 3.54Å; I428-I439 WeakPolarHBondContact CA-O 3.23Å; I428-R440 HydrophobicContact CG1-CG 4.34Å; I428-Y467 HydrophobicContact CD1-CD2 4.05Å; I428-Y467 HydrophobicContact CD1-CE2 3.81Å
429	V	94.8	Very high	83.4	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	149.8	-179.8	-55.8	0	0	0	0	110.4	C407 I427 L438 I439 L441 F454 V456	C407-V429 HydrophobicContact CB-CB 4.15Å; C407-V429 HydrophobicContact CB-CG2 3.9Å; I427-V429 HydrophobicContact CD1-CG1 3.71Å; I427-V429 HydrophobicContact CG1-CG1 3.99Å; V429-L438 WeakPolarHBondContact O-CA 3.4Å; V429-I439 HydrophobicContact CG2-CB 3.9Å; V429-I439 WeakPolarHBondContact CG2-O 3.31Å; V429-I439 PolarHBondContact N-O 3.05Å; V429-I439 PolarHBondContact O-N 3.4Å; V429-L441 HydrophobicContact CG1-CB 4.14Å; V429-L441 HydrophobicContact CG1-CD2 4.01Å; V429-L441 HydrophobicContact CG2-CB 4.49Å; V429-F454 HydrophobicContact CB-CE2 4.42Å; V429-F454 HydrophobicContact CB-CZ 4.18Å; V429-F454 HydrophobicContact CG1-CE2 3.99Å; V429-F454 HydrophobicContact CG1-CZ 3.68Å; V429-V456 HydrophobicContact CG2-CG2 4.26Å
430	T	95.3	Very high	85.7	Confident	28 Å²	28	54.4 Å²	54.4	17%	0.172	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	118	-178.3	-59	0	0	0	0	109.6	C407 T408 L438 A1106	C407-T430 WeakPolarHBondContact CA-O 3.44Å; T408-T430 PolarHBondContact N-O 3.36Å; T408-T430 PolarHBondContact O-N 2.93Å; T430-L438 HydrophobicContact CG2-CD2 3.83Å; T430-L438 WeakPolarHBondContact OG1-CD2 3.47Å; T430-A1106 HydrophobicContact CG2-CB 3.61Å
431	P	96.1	Very high	87.8	Confident	2 Å²	2	48.2 Å²	48.2	1%	0.013	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	148.5	172.5	-22.4	33.6	0	0	0	112.6	V406 I436 P437 I439 H1107	V406-P431 CarbonylContact O-C 3.13Å; V406-P431 WeakPolarHBondContact O-CA 3.48Å; P431-I436 HydrophobicContact CB-CB 3.92Å; P431-I436 HydrophobicContact CB-CG2 4.13Å; P431-I436 HydrophobicContact CG-CB 3.99Å; P431-I436 HydrophobicContact CG-CG2 3.78Å; P431-P437 WeakPolarHBondContact CG-O 3.41Å; P431-I439 HydrophobicContact CG-CD1 4.04Å; P431-I439 HydrophobicContact CG-CG1 4.13Å; P431-H1107 PolarHBondContact O-CE1 2.9Å; P431-H1107 VanDerWaalsContact O-CE1 3.31Å
432	W	94.4	Very high	89.6	Confident	51 Å²	51	40.3 Å²	40.3	19%	0.193	20%	0.204	C	C	.	.	S	Bend	trans	-64.3	-43.7	175.4	-173.7	97.4	0	0	0	110.9	V406 R434 T488 E492 H1107	V406-W432 HydrophobicContact CB-CB 4.22Å; V406-W432 WeakPolarHBondContact O-CB 3.14Å; V406-W432 PolarHBondContact O-N 3.39Å; W432-R434 PolarHBondContact O-N 2.9Å; W432-T488 HydrophobicContact CB-CG2 4.35Å; W432-T488 VanDerWaalsContact CD1-CG2 3.48Å; W432-T488 HydrophobicContact CD2-CG2 3.98Å; W432-T488 HydrophobicContact CG-CG2 3.72Å; W432-E492 HydrophobicContact CD2-CG 4.28Å; W432-E492 HydrophobicContact CE3-CB 4.4Å; W432-E492 HydrophobicContact CE3-CG 3.73Å; W432-E492 HydrophobicContact CZ3-CB 4.48Å; W432-E492 HydrophobicContact CZ3-CG 4.28Å; W432-H1107 PolarHBondContact O-ND1 3.25Å
433	D	93.3	Very high	90.9	Very high	17 Å²	17	36.2 Å²	36.2	9%	0.091	17%	0.174	C	C	.	.	S	Bend	trans	-77.1	111	171.2	-173.4	-11.1	0	0	0	111.3	R403 R435 I436	R403-D433 IonicContact NH2-OD2 2.73Å; D433-R435 PolarHBondContact O-N 3.43Å; D433-R435 WeakPolarHBondContact OD1-CB 3.44Å; D433-R435 WeakPolarHBondContact OD1-CG 3.44Å; D433-R435 IonicContact OD1-CZ 3.52Å; D433-R435 PolarHBondContact OD1-N 2.94Å; D433-R435 IonicContact OD1-NE 2.77Å; D433-R435 PolarHBondContact OD1-NE 3.04Å; D433-R435 IonicContact OD1-NH2 2.75Å; D433-R435 IonicContact OD2-CZ 3.55Å; D433-R435 IonicContact OD2-NE 3.56Å; D433-R435 PolarHBondContact OD2-NE 3.48Å; D433-R435 VanDerWaalsContact OD2-NE 3.08Å; D433-R435 IonicContact OD2-NH2 3.76Å; D433-R435 PolarHBondContact OD2-NH2 3.39Å; D433-I436 HydrophobicContact CB-CG1 4.15Å; D433-I436 WeakPolarHBondContact O-CB 3.25Å; D433-I436 PolarHBondContact O-N 3.01Å
434	R	92	Very high	91.5	Very high	52 Å²	52	31.8 Å²	31.8	20%	0.196	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-17.4	-178.6	-65.3	-177	-178.9	96	-12.6	114.5	P289 E362 W432 I436 H1107	P289-R434 WeakPolarHBondContact CB-O 3.3Å; P289-R434 HydrophobicContact CG-CB 4.4Å; P289-R434 VanDerWaalsContact CG-O 3.25Å; P289-R434 WeakPolarHBondContact CG-O 3.42Å; E362-R434 IonicContact OE1-CZ 3.44Å; E362-R434 IonicContact OE1-NH2 3.63Å; E362-R434 PolarHBondContact OE1-NH2 3.23Å; E362-R434 IonicContact OE2-NH2 2.67Å; W432-R434 PolarHBondContact O-N 2.9Å; R434-I436 PolarHBondContact O-N 3.32Å; R434-H1107 VanDerWaalsContact CG-CE1 3.4Å; R434-H1107 WeakPolarHBondContact CG-CE1 3.48Å; R434-H1107 VanDerWaalsContact CZ-CD2 3.42Å; R434-H1107 PolarHBondContact NE-CD2 3.19Å; R434-H1107 PolarHBondContact NE-NE2 3.44Å; R434-H1107 VanDerWaalsContact NH2-CB 3.28Å; R434-H1107 PolarHBondContact NH2-CD2 3.37Å; R434-H1107 VanDerWaalsContact NH2-CD2 3.35Å
435	R	93.7	Very high	91.7	Very high	47 Å²	47	31.5 Å²	31.5	18%	0.177	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-24	174.9	-67.8	175.7	-71.7	172.7	-0.9	112.5	V284 R286 D332 D433	V284-R435 HydrophobicContact CB-CB 4.16Å; V284-R435 HydrophobicContact CB-CG 4.29Å; V284-R435 HydrophobicContact CG1-CB 4.14Å; V284-R435 HydrophobicContact CG1-CG 4.27Å; V284-R435 WeakPolarHBondContact O-CD 3.34Å; R286-R435 HydrophobicContact CG-CG 4.19Å; D332-R435 HydrophobicContact CB-CB 4.2Å; D332-R435 IonicContact OD2-CZ 3.75Å; D332-R435 VanDerWaalsContact OD2-CZ 3.31Å; D332-R435 IonicContact OD2-NE 2.72Å; D332-R435 IonicContact OD2-NH1 3.19Å; D332-R435 PolarHBondContact OD2-NH1 2.93Å; D433-R435 PolarHBondContact O-N 3.43Å; D433-R435 WeakPolarHBondContact OD1-CB 3.44Å; D433-R435 WeakPolarHBondContact OD1-CG 3.44Å; D433-R435 IonicContact OD1-CZ 3.52Å; D433-R435 PolarHBondContact OD1-N 2.94Å; D433-R435 IonicContact OD1-NE 2.77Å; D433-R435 PolarHBondContact OD1-NE 3.04Å; D433-R435 IonicContact OD1-NH2 2.75Å; D433-R435 IonicContact OD2-CZ 3.55Å; D433-R435 IonicContact OD2-NE 3.56Å; D433-R435 PolarHBondContact OD2-NE 3.48Å; D433-R435 VanDerWaalsContact OD2-NE 3.08Å; D433-R435 IonicContact OD2-NH2 3.76Å; D433-R435 PolarHBondContact OD2-NH2 3.39Å
436	I	94.9	Very high	91.6	Very high	10 Å²	10	32 Å²	32	5%	0.051	15%	0.146	C	C	.	.	S	Bend	trans	-87.1	130.6	-178.2	-51.7	-57.3	0	0	0	108.6	D332 Y405 P431 D433 R434 I439	D332-I436 HydrophobicContact CB-CD1 4.42Å; Y405-I436 HydrophobicContact CD1-CB 4.43Å; Y405-I436 HydrophobicContact CD1-CD1 4.26Å; Y405-I436 HydrophobicContact CD1-CG1 3.76Å; Y405-I436 HydrophobicContact CD1-CG2 4.06Å; Y405-I436 HydrophobicContact CD2-CG2 4.44Å; Y405-I436 HydrophobicContact CE1-CB 4.43Å; Y405-I436 HydrophobicContact CE1-CD1 3.51Å; Y405-I436 HydrophobicContact CE1-CG1 3.54Å; Y405-I436 HydrophobicContact CE1-CG2 4.04Å; Y405-I436 HydrophobicContact CE2-CG2 4.43Å; Y405-I436 HydrophobicContact CG-CG2 4.25Å; P431-I436 HydrophobicContact CB-CB 3.92Å; P431-I436 HydrophobicContact CB-CG2 4.13Å; P431-I436 HydrophobicContact CG-CB 3.99Å; P431-I436 HydrophobicContact CG-CG2 3.78Å; D433-I436 HydrophobicContact CB-CG1 4.15Å; D433-I436 WeakPolarHBondContact O-CB 3.25Å; D433-I436 PolarHBondContact O-N 3.01Å; R434-I436 PolarHBondContact O-N 3.32Å; I436-I439 HydrophobicContact CG2-CD1 4.47Å
437	P	93.9	Very high	91.4	Very high	17 Å²	17	30.3 Å²	30.3	11%	0.11	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-64.1	158.4	177.2	30.5	-38.3	0	0	0	111.1	V331 P431 I439 W461 P468	V331-P437 HydrophobicContact CG1-CG 4.11Å; P431-P437 WeakPolarHBondContact CG-O 3.41Å; P437-I439 WeakPolarHBondContact O-CG1 3.44Å; P437-W461 HydrophobicContact CB-CH2 3.94Å; P437-W461 HydrophobicContact CG-CH2 3.56Å; P437-W461 HydrophobicContact CG-CZ2 4.41Å; P437-W461 HydrophobicContact CG-CZ3 3.7Å; P437-P468 HydrophobicContact CG-CG 3.96Å
438	L	96.2	Very high	91	Very high	40 Å²	40	33.2 Å²	33.2	21%	0.209	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-55.8	144.9	171.6	-52.9	180	0	0	0	110.6	I428 V429 T430 Y467 P468	I428-L438 HydrophobicContact CG2-CB 3.64Å; I428-L438 HydrophobicContact CG2-CD1 3.94Å; I428-L438 HydrophobicContact CG2-CG 4.36Å; V429-L438 WeakPolarHBondContact O-CA 3.4Å; T430-L438 HydrophobicContact CG2-CD2 3.83Å; T430-L438 WeakPolarHBondContact OG1-CD2 3.47Å; L438-Y467 HydrophobicContact CB-CD1 3.81Å; L438-Y467 HydrophobicContact CB-CE1 3.9Å; L438-Y467 HydrophobicContact CD1-CE1 4.03Å; L438-Y467 HydrophobicContact CG-CE1 4.25Å; L438-Y467 WeakPolarHBondContact O-CB 3.43Å; L438-Y467 WeakPolarHBondContact O-CD1 3.3Å; L438-P468 VanDerWaalsContact O-CD 3.32Å; L438-P468 WeakPolarHBondContact O-CD 3.38Å
439	I	95.9	Very high	90.6	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	136.4	-173.2	-53.5	173.7	0	0	0	109.3	Y405 I428 V429 P431 I436 P437 V456 I458 P468	Y405-I439 HydrophobicContact CD2-CD1 4.21Å; I428-I439 CarbonylContact C-O 3.54Å; I428-I439 WeakPolarHBondContact CA-O 3.23Å; V429-I439 HydrophobicContact CG2-CB 3.9Å; V429-I439 WeakPolarHBondContact CG2-O 3.31Å; V429-I439 PolarHBondContact N-O 3.05Å; V429-I439 PolarHBondContact O-N 3.4Å; P431-I439 HydrophobicContact CG-CD1 4.04Å; P431-I439 HydrophobicContact CG-CG1 4.13Å; I436-I439 HydrophobicContact CG2-CD1 4.47Å; P437-I439 WeakPolarHBondContact O-CG1 3.44Å; I439-V456 HydrophobicContact CD1-CG1 4.2Å; I439-V456 HydrophobicContact CG2-CG1 3.88Å; I439-I458 HydrophobicContact CD1-CD1 4.13Å; I439-I458 HydrophobicContact CD1-CG1 3.84Å; I439-I458 HydrophobicContact CG1-CD1 4.49Å; I439-I458 HydrophobicContact CG1-CG1 4.36Å; I439-P468 HydrophobicContact CG1-CG 4.12Å
440	R	94.1	Very high	90.1	Very high	71 Å²	71	33.2 Å²	33.2	27%	0.268	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	127.3	170.3	-70.9	173.8	64.2	-162.4	-2.8	109.4	W426 I427 I428 S465 Y467 P468 S469 G470	W426-R440 HydrophobicContact CE3-CB 4.34Å; I427-R440 WeakPolarHBondContact O-CA 3.38Å; I428-R440 HydrophobicContact CG1-CG 4.34Å; R440-S465 PolarHBondContact NH1-OG 3.27Å; R440-Y467 HydrophobicContact CG-CD2 4.46Å; R440-P468 PolarHBondContact N-O 2.93Å; R440-S469 WeakPolarHBondContact O-CA 3.32Å; R440-G470 PolarHBondContact O-N 2.93Å
441	L	92	Very high	89.6	Confident	0 Å²	0	41 Å²	41	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	134	-178.7	174.5	65.5	0	0	0	109.3	W426 I427 V429 L449 F454 V456 G470 F472	W426-L441 CarbonylContact C-O 3.44Å; W426-L441 WeakPolarHBondContact CA-O 3.25Å; I427-L441 HydrophobicContact CD1-CD2 4.42Å; I427-L441 HydrophobicContact CG1-CB 4.19Å; I427-L441 WeakPolarHBondContact CG1-O 3.33Å; I427-L441 PolarHBondContact N-O 2.79Å; I427-L441 PolarHBondContact O-N 3.27Å; V429-L441 HydrophobicContact CG1-CB 4.14Å; V429-L441 HydrophobicContact CG1-CD2 4.01Å; V429-L441 HydrophobicContact CG2-CB 4.49Å; L441-L449 HydrophobicContact CD2-CD1 4.2Å; L441-F454 HydrophobicContact CD2-CE2 3.79Å; L441-F454 HydrophobicContact CD2-CZ 4.49Å; L441-V456 HydrophobicContact CD2-CG2 4.09Å; L441-G470 WeakPolarHBondContact CD1-O 3.47Å; L441-F472 HydrophobicContact CD1-CB 4Å; L441-F472 HydrophobicContact CD2-CB 4.4Å
442	H	88.6	Confident	89.3	Confident	31 Å²	31	42.5 Å²	42.5	14%	0.144	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	133	166	-179.9	-87.1	0	0	0	109.5	S216 V219 W426	S216-H442 PolarHBondContact OG-O 3.42Å; V219-H442 HydrophobicContact CB-CB 4.29Å; V219-H442 HydrophobicContact CG1-CB 3.82Å; W426-H442 HydrophobicContact CD2-CB 3.95Å; W426-H442 HydrophobicContact CE3-CB 3.92Å; W426-H442 HydrophobicContact CH2-CB 3.99Å; W426-H442 HydrophobicContact CZ2-CB 4.02Å; W426-H442 HydrophobicContact CZ3-CB 3.95Å; W426-H442 AromaticContact NE1-CD2 3.92Å
443	T	86.9	Confident	89.3	Confident	6 Å²	6	40.2 Å²	40.2	4%	0.037	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	149.1	176.5	179.1	0	0	0	0	110.5	S424 G425 I427 Q445 I446 L449	S424-T443 CarbonylContact C-O 3.53Å; S424-T443 VanDerWaalsContact CA-O 3.24Å; S424-T443 WeakPolarHBondContact CA-O 3.38Å; G425-T443 PolarHBondContact N-O 3.05Å; G425-T443 PolarHBondContact O-N 3.21Å; I427-T443 HydrophobicContact CD1-CG2 3.71Å; I427-T443 HydrophobicContact CG1-CG2 4Å; I427-T443 HydrophobicContact CG2-CG2 4.42Å; T443-Q445 PolarHBondContact OG1-N 3.26Å; T443-Q445 VanDerWaalsContact OG1-N 3.09Å; T443-I446 HydrophobicContact CG2-CB 4.43Å; T443-I446 HydrophobicContact CG2-CG1 3.5Å; T443-I446 VanDerWaalsContact CG2-CG1 3.5Å; T443-L449 HydrophobicContact CG2-CD1 3.98Å
444	T	84.1	Confident	89.4	Confident	41 Å²	41	39.4 Å²	39.4	25%	0.252	19%	0.186	S	C	.	.	S	Bend	trans	-94	-3.6	171.2	50.8	0	0	0	0	112.7	D215 E423	D215-T444 HydrophobicContact CB-CG2 4.35Å; D215-T444 PolarHBondContact OD2-OG1 2.96Å; E423-T444 CarbonylContact C-O 3.21Å; E423-T444 CarbonylContact O-C 3.43Å; E423-T444 VanDerWaalsContact O-O 3.05Å
445	Q	82.9	Confident	89.5	Confident	57 Å²	57	37.1 Å²	37.1	27%	0.266	18%	0.178	S	C	.	.			trans	-136.6	64.4	-175.2	-63.5	178.6	30.9	0	0	111.9	L212 E423 T443 S447 K448 L449	L212-Q445 HydrophobicContact CD2-CB 4.09Å; L212-Q445 HydrophobicContact CD2-CG 3.89Å; E423-Q445 PolarHBondContact O-N 3.16Å; T443-Q445 PolarHBondContact OG1-N 3.26Å; T443-Q445 VanDerWaalsContact OG1-N 3.09Å; Q445-S447 VanDerWaalsContact C-N 3.29Å; Q445-S447 PolarHBondContact O-N 3.19Å; Q445-K448 HydrophobicContact CB-CB 4.27Å; Q445-K448 PolarHBondContact O-N 3.02Å; Q445-L449 PolarHBondContact O-N 3.24Å
446	I	83.3	Confident	89.6	Confident	30 Å²	30	34.9 Å²	34.9	15%	0.154	17%	0.169	C	C	.	.	H	α-helix	trans	-59.2	-39.7	-179.9	-63.6	171.2	0	0	0	112.1	Y409 E423 I427 T443 K448 L449 T450	Y409-I446 HydrophobicContact CD1-CG2 4.12Å; Y409-I446 HydrophobicContact CE1-CG2 3.42Å; Y409-I446 VanDerWaalsContact CE1-CG2 3.42Å; E423-I446 WeakPolarHBondContact O-CG1 3.44Å; E423-I446 PolarHBondContact O-N 3.07Å; I427-I446 HydrophobicContact CG2-CD1 3.71Å; I427-I446 HydrophobicContact CG2-CG1 3.75Å; I427-I446 HydrophobicContact CG2-CG2 4.18Å; T443-I446 HydrophobicContact CG2-CB 4.43Å; T443-I446 HydrophobicContact CG2-CG1 3.5Å; T443-I446 VanDerWaalsContact CG2-CG1 3.5Å; I446-K448 PolarHBondContact O-N 2.68Å; I446-L449 PolarHBondContact O-N 2.89Å; I446-T450 PolarHBondContact O-N 2.9Å; I446-T450 PolarHBondContact O-OG1 2.77Å; I446-T450 VanDerWaalsContact O-OG1 3.12Å
447	S	83.1	Confident	89.5	Confident	76 Å²	76	35.6 Å²	35.6	53%	0.531	17%	0.171	S	C	.	.	H	α-helix	trans	-61.6	-41.2	-177.2	52.4	0	0	0	0	112.6	Q445 T450	Q445-S447 VanDerWaalsContact C-N 3.29Å; Q445-S447 PolarHBondContact O-N 3.19Å; S447-T450 WeakPolarHBondContact O-CB 3.37Å; S447-T450 PolarHBondContact O-N 3.47Å; S447-T450 PolarHBondContact O-OG1 3.42Å
448	K	82.2	Confident	89.4	Confident	73 Å²	73	34.9 Å²	34.9	32%	0.317	17%	0.166	S	C	.	.	H	α-helix	trans	-68	-39.5	179.2	-171.1	178.8	178.3	-175.7	0	112.5	Q445 I446 T450 E452	Q445-K448 HydrophobicContact CB-CB 4.27Å; Q445-K448 PolarHBondContact O-N 3.02Å; I446-K448 PolarHBondContact O-N 2.68Å; K448-T450 PolarHBondContact O-N 3.49Å; K448-T450 VanDerWaalsContact O-N 3.17Å; K448-E452 WeakPolarHBondContact O-CG 3.39Å
449	L	84.6	Confident	89.1	Confident	1 Å²	1	35 Å²	35	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-70.2	-10.3	179.3	-62.6	-177.1	0	0	0	113.5	I427 L441 T443 Q445 I446 R451 F454 F472	I427-L449 HydrophobicContact CD1-CD1 4.11Å; L441-L449 HydrophobicContact CD2-CD1 4.2Å; T443-L449 HydrophobicContact CG2-CD1 3.98Å; Q445-L449 PolarHBondContact O-N 3.24Å; I446-L449 PolarHBondContact O-N 2.89Å; L449-R451 PolarHBondContact O-N 3.31Å; L449-F454 HydrophobicContact CB-CD1 4.37Å; L449-F454 HydrophobicContact CB-CE1 3.87Å; L449-F454 HydrophobicContact CB-CZ 4.31Å; L449-F454 HydrophobicContact CD1-CE1 4.5Å; L449-F454 HydrophobicContact CD1-CE2 4.44Å; L449-F454 HydrophobicContact CD1-CZ 4.24Å; L449-F454 HydrophobicContact CD2-CB 4.49Å; L449-F454 HydrophobicContact CD2-CD1 3.81Å; L449-F454 HydrophobicContact CD2-CD2 4.4Å; L449-F454 HydrophobicContact CD2-CE1 4.07Å; L449-F454 HydrophobicContact CD2-CG 3.99Å; L449-F454 HydrophobicContact CD2-CZ 4.48Å; L449-F454 HydrophobicContact CG-CE1 4.36Å; L449-F472 HydrophobicContact CD2-CD2 4.22Å; L449-F472 HydrophobicContact CD2-CE2 3.9Å
450	T	84.4	Confident	88.8	Confident	47 Å²	47	36.7 Å²	36.7	29%	0.288	18%	0.178	S	C	.	.	B	Isolated β-bridge	trans	-72.2	121.7	178	-58	0	0	0	0	109.6	P411 I446 S447 K448 E452	P411-T450 HydrophobicContact CG-CG2 3.78Å; I446-T450 PolarHBondContact O-N 2.9Å; I446-T450 PolarHBondContact O-OG1 2.77Å; I446-T450 VanDerWaalsContact O-OG1 3.12Å; S447-T450 WeakPolarHBondContact O-CB 3.37Å; S447-T450 PolarHBondContact O-N 3.47Å; S447-T450 PolarHBondContact O-OG1 3.42Å; K448-T450 PolarHBondContact O-N 3.49Å; K448-T450 VanDerWaalsContact O-N 3.17Å; T450-E452 VanDerWaalsContact C-N 3.3Å; T450-E452 PolarHBondContact O-N 2.94Å
451	R	84.3	Confident	88.7	Confident	191 Å²	191	34.2 Å²	34.2	72%	0.721	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.3	19	-177.2	-59.1	-178.3	173.4	-170.7	-2.2	116.3	L449 I479	L449-R451 PolarHBondContact O-N 3.31Å; R451-I479 VanDerWaalsContact C-CD1 3.47Å; R451-I479 VanDerWaalsContact CA-CD1 3.47Å; R451-I479 HydrophobicContact CB-CD1 4.15Å; R451-I479 WeakPolarHBondContact O-CD1 3.49Å; R451-I479 WeakPolarHBondContact O-CG1 3.2Å; R451-I479 PolarHBondContact O-N 3.16Å; R451-I479 VanDerWaalsContact O-N 3.16Å
452	E	91	Very high	88.5	Confident	35 Å²	35	35.6 Å²	35.6	16%	0.164	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	154	170.1	-67.6	-174.1	166.5	0	0	111.4	T408 K448 T450 T475 G477	T408-E452 PolarHBondContact OG1-O 3.4Å; K448-E452 WeakPolarHBondContact O-CG 3.39Å; T450-E452 VanDerWaalsContact C-N 3.3Å; T450-E452 PolarHBondContact O-N 2.94Å; E452-T475 HydrophobicContact CB-CG2 4.48Å; E452-T475 WeakPolarHBondContact OE2-CG2 3.48Å; E452-G477 CarbonylContact C-O 3.6Å; E452-G477 VanDerWaalsContact CA-O 3.28Å; E452-G477 WeakPolarHBondContact CA-O 3.4Å
453	R	94.5	Very high	88.5	Confident	2 Å²	2	34.2 Å²	34.2	1%	0.008	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	130.1	160.8	-58.9	-59.9	-167.7	178.1	5.2	108.1	V406 T408 L476 G477 I479 T484 E485 A1106 H1107	V406-R453 HydrophobicContact CG1-CB 4.05Å; T408-R453 WeakPolarHBondContact OG1-CD 3.4Å; T408-R453 PolarHBondContact OG1-NH1 3.39Å; T408-R453 VanDerWaalsContact OG1-NH1 3.1Å; R453-L476 HydrophobicContact CB-CB 4.1Å; R453-L476 HydrophobicContact CB-CD1 4.25Å; R453-L476 WeakPolarHBondContact O-CB 3.46Å; R453-L476 PolarHBondContact O-N 2.85Å; R453-G477 PolarHBondContact N-O 2.77Å; R453-G477 PolarHBondContact O-N 2.94Å; R453-I479 HydrophobicContact CG-CG1 4.3Å; R453-T484 HydrophobicContact CB-CG2 3.6Å; R453-T484 HydrophobicContact CG-CG2 3.47Å; R453-T484 VanDerWaalsContact CG-CG2 3.47Å; R453-E485 IonicContact CZ-OE1 2.69Å; R453-E485 IonicContact CZ-OE2 3.95Å; R453-E485 IonicContact NE-OE1 2.69Å; R453-E485 PolarHBondContact NE-OE1 3.48Å; R453-E485 IonicContact NE-OE2 3.51Å; R453-E485 IonicContact NH2-OE1 3.65Å; R453-E485 PolarHBondContact NH2-OE1 3.23Å; R453-E485 IonicContact NH2-OE2 3.91Å; R453-E485 PolarHBondContact NH2-OE2 2.77Å; R453-A1106 PolarHBondContact NH1-O 3.48Å; R453-H1107 PolarHBondContact NH2-O 2.87Å
454	F	94.8	Very high	88.6	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	156.4	176.5	55.7	-89.4	0	0	0	111	C407 V429 L441 L449 V456 F472 Q474	C407-F454 HydrophobicContact CB-CD2 4.38Å; C407-F454 HydrophobicContact CB-CE2 3.99Å; C407-F454 HydrophobicContact CB-CZ 4.32Å; C407-F454 PolarHBondContact N-O 3.31Å; C407-F454 PolarHBondContact O-N 3.37Å; V429-F454 HydrophobicContact CB-CE2 4.42Å; V429-F454 HydrophobicContact CB-CZ 4.18Å; V429-F454 HydrophobicContact CG1-CE2 3.99Å; V429-F454 HydrophobicContact CG1-CZ 3.68Å; L441-F454 HydrophobicContact CD2-CE2 3.79Å; L441-F454 HydrophobicContact CD2-CZ 4.49Å; L449-F454 HydrophobicContact CB-CD1 4.37Å; L449-F454 HydrophobicContact CB-CE1 3.87Å; L449-F454 HydrophobicContact CB-CZ 4.31Å; L449-F454 HydrophobicContact CD1-CE1 4.5Å; L449-F454 HydrophobicContact CD1-CE2 4.44Å; L449-F454 HydrophobicContact CD1-CZ 4.24Å; L449-F454 HydrophobicContact CD2-CB 4.49Å; L449-F454 HydrophobicContact CD2-CD1 3.81Å; L449-F454 HydrophobicContact CD2-CD2 4.4Å; L449-F454 HydrophobicContact CD2-CE1 4.07Å; L449-F454 HydrophobicContact CD2-CG 3.99Å; L449-F454 HydrophobicContact CD2-CZ 4.48Å; L449-F454 HydrophobicContact CG-CE1 4.36Å; F454-V456 HydrophobicContact CD2-CG2 3.66Å; F454-V456 HydrophobicContact CE2-CG2 3.54Å; F454-F472 HydrophobicContact CB-CD2 4.36Å; F454-F472 HydrophobicContact CB-CE2 3.86Å; F454-F472 HydrophobicContact CD2-CD2 4.03Å; F454-F472 HydrophobicContact CD2-CE2 4.35Å; F454-F472 HydrophobicContact CG-CD2 4.44Å; F454-F472 HydrophobicContact CG-CE2 4.32Å; F454-Q474 CarbonylContact C-O 3.58Å; F454-Q474 VanDerWaalsContact CA-O 3.32Å; F454-Q474 WeakPolarHBondContact CA-O 3.48Å; F454-Q474 WeakPolarHBondContact CB-O 3.41Å
455	I	94.6	Very high	88.9	Confident	5 Å²	5	37.4 Å²	37.4	3%	0.026	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	133.8	-178.5	-55.6	-176.1	0	0	0	110	D404 Y405 V473 Q474 L476 I491	D404-I455 HydrophobicContact CB-CG2 3.65Å; Y405-I455 WeakPolarHBondContact O-CA 3.33Å; I455-V473 HydrophobicContact CB-CB 4.01Å; I455-V473 HydrophobicContact CG2-CB 3.87Å; I455-V473 HydrophobicContact CG2-CG1 4.38Å; I455-V473 HydrophobicContact CG2-CG2 4.08Å; I455-V473 PolarHBondContact O-N 3.3Å; I455-Q474 HydrophobicContact CB-CG 4.22Å; I455-Q474 HydrophobicContact CD1-CG 3.63Å; I455-Q474 VanDerWaalsContact CD1-NE2 3.33Å; I455-Q474 HydrophobicContact CG1-CG 3.95Å; I455-Q474 PolarHBondContact N-O 3.22Å; I455-L476 HydrophobicContact CD1-CD2 4.1Å; I455-L476 HydrophobicContact CG1-CD1 4.36Å; I455-L476 HydrophobicContact CG1-CD2 4.09Å; I455-L476 HydrophobicContact CG1-CG 4.24Å; I455-I491 HydrophobicContact CD1-CD1 3.59Å; I455-I491 HydrophobicContact CD1-CG1 4.35Å; I455-I491 HydrophobicContact CD1-CG2 4.26Å; I455-I491 HydrophobicContact CG1-CD1 4.19Å
456	V	94.8	Very high	89.2	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	141.6	172.1	177.4	0	0	0	0	109.5	Y405 C407 V429 I439 L441 F454 H471	Y405-V456 PolarHBondContact N-O 3.44Å; Y405-V456 PolarHBondContact O-N 2.98Å; C407-V456 HydrophobicContact CB-CB 4.45Å; C407-V456 HydrophobicContact CB-CG2 3.96Å; V429-V456 HydrophobicContact CG2-CG2 4.26Å; I439-V456 HydrophobicContact CD1-CG1 4.2Å; I439-V456 HydrophobicContact CG2-CG1 3.88Å; L441-V456 HydrophobicContact CD2-CG2 4.09Å; F454-V456 HydrophobicContact CD2-CG2 3.66Å; F454-V456 HydrophobicContact CE2-CG2 3.54Å; V456-H471 WeakPolarHBondContact CA-O 3.16Å; V456-H471 WeakPolarHBondContact CG1-O 3.29Å
457	R	92.6	Very high	89.7	Confident	24 Å²	24	38.8 Å²	38.8	9%	0.091	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	136.1	174.2	-175.3	174.4	-67.2	139.9	7.4	110.1	E77 R109 D404 G470 H471 V473	E77-R457 IonicContact OE1-CZ 3.4Å; E77-R457 IonicContact OE1-NH1 2.7Å; E77-R457 PolarHBondContact OE1-NH1 3.1Å; E77-R457 IonicContact OE2-CZ 3.12Å; E77-R457 IonicContact OE2-NH1 3.01Å; E77-R457 PolarHBondContact OE2-NH1 3.42Å; R109-R457 VanDerWaalsContact NH2-NH1 3.14Å; D404-R457 IonicContact OD1-CZ 2.71Å; D404-R457 IonicContact OD1-NE 2.71Å; D404-R457 PolarHBondContact OD1-NE 3.24Å; D404-R457 IonicContact OD1-NH2 2.67Å; D404-R457 PolarHBondContact OD1-NH2 3.45Å; D404-R457 IonicContact OD2-CZ 3.63Å; D404-R457 IonicContact OD2-NH2 3.73Å; D404-R457 PolarHBondContact OD2-NH2 3.24Å; R457-G470 CarbonylContact O-C 3.52Å; R457-G470 WeakPolarHBondContact O-CA 3.49Å; R457-H471 PolarHBondContact N-O 3.28Å; R457-H471 PolarHBondContact O-N 3.41Å; R457-V473 HydrophobicContact CB-CG2 4Å
458	I	93	Very high	90.3	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.015	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	131.3	177.9	-61.9	175	0	0	0	109.8	W402 Y405 I439 P468	W402-I458 HydrophobicContact CB-CB 4.43Å; W402-I458 HydrophobicContact CD2-CB 3.95Å; W402-I458 HydrophobicContact CD2-CG2 3.61Å; W402-I458 HydrophobicContact CE3-CB 4.19Å; W402-I458 HydrophobicContact CE3-CG2 3.77Å; W402-I458 HydrophobicContact CG-CB 4.06Å; W402-I458 HydrophobicContact CG-CG2 4.19Å; W402-I458 HydrophobicContact CH2-CG2 4.1Å; W402-I458 HydrophobicContact CZ2-CG2 3.93Å; W402-I458 HydrophobicContact CZ3-CG2 4.03Å; Y405-I458 HydrophobicContact CD2-CD1 4.12Å; Y405-I458 HydrophobicContact CD2-CG1 4.11Å; Y405-I458 HydrophobicContact CE2-CD1 3.57Å; Y405-I458 HydrophobicContact CE2-CG1 3.87Å; I439-I458 HydrophobicContact CD1-CD1 4.13Å; I439-I458 HydrophobicContact CD1-CG1 3.84Å; I439-I458 HydrophobicContact CG1-CD1 4.49Å; I439-I458 HydrophobicContact CG1-CG1 4.36Å; I458-P468 HydrophobicContact CD1-CB 4.22Å; I458-P468 HydrophobicContact CD1-CG 4.09Å; I458-P468 HydrophobicContact CG1-CB 4.35Å; I458-P468 HydrophobicContact CG1-CG 4.5Å; I458-P468 HydrophobicContact CG2-CB 3.74Å
459	D	89	Confident	90.8	Very high	42 Å²	42	32.1 Å²	32.1	23%	0.225	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	-48.3	179.5	-65.3	-33	0	0	0	112.2	S220 W402 S469 H471	S220-D459 PolarHBondContact OG-OD2 3.36Å; W402-D459 VanDerWaalsContact CZ3-O 3.23Å; W402-D459 WeakPolarHBondContact CZ3-O 3.46Å; D459-S469 PolarHBondContact N-O 2.91Å; D459-H471 IonicContact OD1-CE1 2.67Å; D459-H471 PolarHBondContact OD1-CE1 3.36Å; D459-H471 IonicContact OD1-CG 2.76Å; D459-H471 IonicContact OD1-ND1 3.44Å; D459-H471 PolarHBondContact OD1-ND1 3.11Å; D459-H471 IonicContact OD2-CG 3.06Å; D459-H471 IonicContact OD2-ND1 3.27Å; D459-H471 PolarHBondContact OD2-ND1 2.85Å
460	T	89.5	Confident	91.1	Very high	36 Å²	36	32.3 Å²	32.3	22%	0.221	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	156.1	-174.9	57.5	0	0	0	0	111.1	I224 P468 S469	I224-T460 HydrophobicContact CD1-CG2 4.32Å; I224-T460 HydrophobicContact CG1-CG2 4.38Å; T460-P468 WeakPolarHBondContact O-CA 3.38Å; T460-S469 PolarHBondContact N-O 3.11Å; T460-S469 PolarHBondContact O-N 3.26Å
461	W	92.6	Very high	91.5	Very high	19 Å²	19	30.1 Å²	30.1	7%	0.072	14%	0.139	C	C	.	.			trans	-135.9	97.4	169.5	-162.1	-14.1	0	0	0	110.4	Y259 R329 V331 P437 S465 P468	Y259-W461 HydrophobicContact CE2-CZ2 4.3Å; R329-W461 HydrophobicContact CB-CB 4.38Å; R329-W461 HydrophobicContact CB-CD2 3.67Å; R329-W461 HydrophobicContact CB-CE3 3.93Å; R329-W461 HydrophobicContact CB-CG 3.86Å; R329-W461 HydrophobicContact CB-CZ3 4.43Å; R329-W461 WeakPolarHBondContact CD-O 3.44Å; R329-W461 HydrophobicContact CG-CD2 3.97Å; R329-W461 HydrophobicContact CG-CG 3.95Å; R329-W461 HydrophobicContact CG-CZ2 4.48Å; R329-W461 PolarHBondContact NH1-O 3Å; R329-W461 WeakPolarHBondContact O-CZ3 3.49Å; V331-W461 HydrophobicContact CG1-CE3 4.27Å; V331-W461 HydrophobicContact CG1-CZ3 3.69Å; P437-W461 HydrophobicContact CB-CH2 3.94Å; P437-W461 HydrophobicContact CG-CH2 3.56Å; P437-W461 HydrophobicContact CG-CZ2 4.41Å; P437-W461 HydrophobicContact CG-CZ3 3.7Å; W461-S465 PolarHBondContact NE1-O 2.93Å; W461-P468 HydrophobicContact CB-CB 4.09Å; W461-P468 HydrophobicContact CD2-CB 3.86Å; W461-P468 HydrophobicContact CD2-CG 4.23Å; W461-P468 HydrophobicContact CE3-CB 4.03Å; W461-P468 HydrophobicContact CE3-CG 4.21Å; W461-P468 HydrophobicContact CG-CB 3.91Å
462	D	88.9	Confident	91.9	Very high	29 Å²	29	21.1 Å²	21.1	16%	0.155	11%	0.105	C	C	.	.			trans	-74.4	149	179.9	-58.4	-65.9	0	0	0	112.3	K227 Y464 S465	K227-D462 IonicContact NZ-OD1 3.16Å; K227-D462 PolarHBondContact NZ-OD1 2.81Å; K227-D462 IonicContact NZ-OD2 2.85Å; K227-D462 PolarHBondContact NZ-OD2 2.89Å; D462-Y464 VanDerWaalsContact C-N 3.3Å; D462-Y464 HydrophobicContact CB-CD1 3.9Å; D462-Y464 HydrophobicContact CB-CD2 4.28Å; D462-Y464 HydrophobicContact CB-CE1 3.48Å; D462-Y464 VanDerWaalsContact CB-CE1 3.48Å; D462-Y464 HydrophobicContact CB-CE2 3.88Å; D462-Y464 HydrophobicContact CB-CG 4.29Å; D462-Y464 VanDerWaalsContact CB-CZ 3.46Å; D462-Y464 PolarHBondContact O-N 2.98Å; D462-Y464 PolarHBondContact OD2-OH 2.74Å; D462-S465 PolarHBondContact O-N 3.47Å
463	S	88.6	Confident	91.9	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.014	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-31.3	179.7	49.2	0	0	0	0	113.5	H257 V258 Y259 E261 S465	H257-S463 PolarHBondContact CE1-OG 3.48Å; H257-S463 WeakPolarHBondContact ND1-CB 3.41Å; H257-S463 PolarHBondContact ND1-OG 3Å; V258-S463 WeakPolarHBondContact CA-O 3.4Å; V258-S463 PolarHBondContact N-O 2.73Å; Y259-S463 PolarHBondContact N-O 2.81Å; Y259-S463 WeakPolarHBondContact O-CB 3.48Å; E261-S463 WeakPolarHBondContact OE1-CB 3.46Å; E261-S463 PolarHBondContact OE1-OG 3.06Å; S463-S465 VanDerWaalsContact C-N 3.29Å
464	Y	88.4	Confident	91.6	Very high	105 Å²	105	23.7 Å²	23.7	41%	0.412	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-5.6	174.2	59.5	-99.2	0	0	0	114	K227 G256 V258 D462	K227-Y464 VanDerWaalsContact CE-OH 3.29Å; K227-Y464 WeakPolarHBondContact CE-OH 3.42Å; G256-Y464 WeakPolarHBondContact O-CB 3.37Å; V258-Y464 WeakPolarHBondContact CG2-O 3.47Å; D462-Y464 VanDerWaalsContact C-N 3.3Å; D462-Y464 HydrophobicContact CB-CD1 3.9Å; D462-Y464 HydrophobicContact CB-CD2 4.28Å; D462-Y464 HydrophobicContact CB-CE1 3.48Å; D462-Y464 VanDerWaalsContact CB-CE1 3.48Å; D462-Y464 HydrophobicContact CB-CE2 3.88Å; D462-Y464 HydrophobicContact CB-CG 4.29Å; D462-Y464 VanDerWaalsContact CB-CZ 3.46Å; D462-Y464 PolarHBondContact O-N 2.98Å; D462-Y464 PolarHBondContact OD2-OH 2.74Å
465	S	90.4	Very high	91.5	Very high	9 Å²	9	25.6 Å²	25.6	6%	0.063	13%	0.13	C	C	.	.			trans	-105.7	133.8	177.3	-151.1	0	0	0	0	111.9	Y259 R440 W461 D462 S463 Y467	Y259-S465 WeakPolarHBondContact CE2-O 3.4Å; R440-S465 PolarHBondContact NH1-OG 3.27Å; W461-S465 PolarHBondContact NE1-O 2.93Å; D462-S465 PolarHBondContact O-N 3.47Å; S463-S465 VanDerWaalsContact C-N 3.29Å; S465-Y467 WeakPolarHBondContact CB-O 3.37Å; S465-Y467 PolarHBondContact O-N 3.35Å; S465-Y467 PolarHBondContact OG-O 3.32Å
466	A	89.3	Confident	91.4	Very high	38 Å²	38	26.5 Å²	26.5	31%	0.314	13%	0.134	S	C	.	.	S	Bend	trans	-67.2	-21.1	172.5	0	0	0	0	0	112.9	V258	V258-A466 HydrophobicContact CG1-CB 4.38Å
467	Y	93.7	Very high	91.2	Very high	77 Å²	77	27.2 Å²	27.2	30%	0.302	14%	0.142	S	C	.	.	S	Bend	trans	-131.1	144.8	-171.6	-56.7	-60.6	0	0	0	110.7	I428 L438 R440 S465	I428-Y467 HydrophobicContact CD1-CD2 4.05Å; I428-Y467 HydrophobicContact CD1-CE2 3.81Å; L438-Y467 HydrophobicContact CB-CD1 3.81Å; L438-Y467 HydrophobicContact CB-CE1 3.9Å; L438-Y467 HydrophobicContact CD1-CE1 4.03Å; L438-Y467 HydrophobicContact CG-CE1 4.25Å; L438-Y467 WeakPolarHBondContact O-CB 3.43Å; L438-Y467 WeakPolarHBondContact O-CD1 3.3Å; R440-Y467 HydrophobicContact CG-CD2 4.46Å; S465-Y467 WeakPolarHBondContact CB-O 3.37Å; S465-Y467 PolarHBondContact O-N 3.35Å; S465-Y467 PolarHBondContact OG-O 3.32Å
468	P	94.6	Very high	91.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.163	C	C	.	.			trans	-60.7	150.1	168.9	27.2	-35.8	0	0	0	111	P437 L438 I439 R440 I458 T460 W461	P437-P468 HydrophobicContact CG-CG 3.96Å; L438-P468 VanDerWaalsContact O-CD 3.32Å; L438-P468 WeakPolarHBondContact O-CD 3.38Å; I439-P468 HydrophobicContact CG1-CG 4.12Å; R440-P468 PolarHBondContact N-O 2.93Å; I458-P468 HydrophobicContact CD1-CB 4.22Å; I458-P468 HydrophobicContact CD1-CG 4.09Å; I458-P468 HydrophobicContact CG1-CB 4.35Å; I458-P468 HydrophobicContact CG1-CG 4.5Å; I458-P468 HydrophobicContact CG2-CB 3.74Å; T460-P468 WeakPolarHBondContact O-CA 3.38Å; W461-P468 HydrophobicContact CB-CB 4.09Å; W461-P468 HydrophobicContact CD2-CB 3.86Å; W461-P468 HydrophobicContact CD2-CG 4.23Å; W461-P468 HydrophobicContact CE3-CB 4.03Å; W461-P468 HydrophobicContact CE3-CG 4.21Å; W461-P468 HydrophobicContact CG-CB 3.91Å
469	S	92.7	Very high	91.1	Very high	10 Å²	10	31.9 Å²	31.9	7%	0.07	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	137.9	169.1	-57	0	0	0	0	109.2	R440 D459 T460	R440-S469 WeakPolarHBondContact O-CA 3.32Å; D459-S469 PolarHBondContact N-O 2.91Å; T460-S469 PolarHBondContact N-O 3.11Å; T460-S469 PolarHBondContact O-N 3.26Å
470	G	92.6	Very high	91	Very high	4 Å²	4	32.5 Å²	32.5	4%	0.041	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	173.4	178.2	0	0	0	0	0	112.3	R440 L441 R457	R440-G470 PolarHBondContact O-N 2.93Å; L441-G470 WeakPolarHBondContact CD1-O 3.47Å; R457-G470 CarbonylContact O-C 3.52Å; R457-G470 WeakPolarHBondContact O-CA 3.49Å
471	H	92.3	Very high	91	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	155.2	178.7	68.1	-90.6	0	0	0	112.3	E77 S216 L217 V456 R457 D459	E77-H471 IonicContact OE1-CE1 2.78Å; E77-H471 IonicContact OE1-NE2 2.78Å; E77-H471 IonicContact OE2-CE1 3.79Å; E77-H471 IonicContact OE2-NE2 3.64Å; E77-H471 PolarHBondContact OE2-NE2 3.44Å; E77-H471 VanDerWaalsContact OE2-NE2 3.08Å; S216-H471 WeakPolarHBondContact OG-CA 3.22Å; S216-H471 WeakPolarHBondContact OG-CB 3.05Å; L217-H471 HydrophobicContact CD2-CB 4.4Å; V456-H471 WeakPolarHBondContact CA-O 3.16Å; V456-H471 WeakPolarHBondContact CG1-O 3.29Å; R457-H471 PolarHBondContact N-O 3.28Å; R457-H471 PolarHBondContact O-N 3.41Å; D459-H471 IonicContact OD1-CE1 2.67Å; D459-H471 PolarHBondContact OD1-CE1 3.36Å; D459-H471 IonicContact OD1-CG 2.76Å; D459-H471 IonicContact OD1-ND1 3.44Å; D459-H471 PolarHBondContact OD1-ND1 3.11Å; D459-H471 IonicContact OD2-CG 3.06Å; D459-H471 IonicContact OD2-ND1 3.27Å; D459-H471 PolarHBondContact OD2-ND1 2.85Å
472	F	92.7	Very high	91	Very high	3 Å²	3	36.4 Å²	36.4	1%	0.013	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	134.5	175.9	170.5	-88.7	0	0	0	110.1	T209 L212 L213 S216 L441 L449 F454 Q474	T209-F472 HydrophobicContact CG2-CE1 4.22Å; L212-F472 HydrophobicContact CB-CD1 3.68Å; L212-F472 HydrophobicContact CB-CE1 3.63Å; L212-F472 HydrophobicContact CB-CZ 4.42Å; L212-F472 HydrophobicContact CD1-CE1 4.14Å; L212-F472 HydrophobicContact CD1-CZ 4.13Å; L213-F472 WeakPolarHBondContact CD1-O 3.43Å; S216-F472 PolarHBondContact OG-N 3.09Å; L441-F472 HydrophobicContact CD1-CB 4Å; L441-F472 HydrophobicContact CD2-CB 4.4Å; L449-F472 HydrophobicContact CD2-CD2 4.22Å; L449-F472 HydrophobicContact CD2-CE2 3.9Å; F454-F472 HydrophobicContact CB-CD2 4.36Å; F454-F472 HydrophobicContact CB-CE2 3.86Å; F454-F472 HydrophobicContact CD2-CD2 4.03Å; F454-F472 HydrophobicContact CD2-CE2 4.35Å; F454-F472 HydrophobicContact CG-CD2 4.44Å; F454-F472 HydrophobicContact CG-CE2 4.32Å; F472-Q474 VanDerWaalsContact CZ-CA 3.5Å
473	V	89.7	Confident	91.2	Very high	16 Å²	16	38 Å²	38	10%	0.097	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	-63.1	176.2	-178.8	0	0	0	0	110.9	I455 R457	I455-V473 HydrophobicContact CB-CB 4.01Å; I455-V473 HydrophobicContact CG2-CB 3.87Å; I455-V473 HydrophobicContact CG2-CG1 4.38Å; I455-V473 HydrophobicContact CG2-CG2 4.08Å; I455-V473 PolarHBondContact O-N 3.3Å; R457-V473 HydrophobicContact CB-CG2 4Å
474	Q	90	Very high	91.4	Very high	75 Å²	75	38.1 Å²	38.1	35%	0.35	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	156.1	-179.7	65.6	-179.4	15.1	0	0	112.9	T209 F454 I455 F472	T209-Q474 HydrophobicContact CG2-CB 3.86Å; F454-Q474 CarbonylContact C-O 3.58Å; F454-Q474 VanDerWaalsContact CA-O 3.32Å; F454-Q474 WeakPolarHBondContact CA-O 3.48Å; F454-Q474 WeakPolarHBondContact CB-O 3.41Å; I455-Q474 HydrophobicContact CB-CG 4.22Å; I455-Q474 HydrophobicContact CD1-CG 3.63Å; I455-Q474 VanDerWaalsContact CD1-NE2 3.33Å; I455-Q474 HydrophobicContact CG1-CG 3.95Å; I455-Q474 PolarHBondContact N-O 3.22Å; F472-Q474 VanDerWaalsContact CZ-CA 3.5Å
475	T	91.4	Very high	91.7	Very high	39 Å²	39	33.8 Å²	33.8	24%	0.239	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	139.1	170.3	-63.7	0	0	0	0	109.8	E452	E452-T475 HydrophobicContact CB-CG2 4.48Å; E452-T475 WeakPolarHBondContact OE2-CG2 3.48Å
476	L	91.9	Very high	91.9	Very high	24 Å²	24	33.5 Å²	33.5	13%	0.126	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-51.4	173.2	-58.6	179.3	0	0	0	111.4	V406 R453 I455 T484 I491	V406-L476 HydrophobicContact CG1-CD1 3.88Å; V406-L476 HydrophobicContact CG2-CD1 3.95Å; R453-L476 HydrophobicContact CB-CB 4.1Å; R453-L476 HydrophobicContact CB-CD1 4.25Å; R453-L476 WeakPolarHBondContact O-CB 3.46Å; R453-L476 PolarHBondContact O-N 2.85Å; I455-L476 HydrophobicContact CD1-CD2 4.1Å; I455-L476 HydrophobicContact CG1-CD1 4.36Å; I455-L476 HydrophobicContact CG1-CD2 4.09Å; I455-L476 HydrophobicContact CG1-CG 4.24Å; L476-T484 HydrophobicContact CB-CG2 4.07Å; L476-I491 HydrophobicContact CD1-CD1 3.77Å; L476-I491 HydrophobicContact CD2-CD1 3.6Å; L476-I491 HydrophobicContact CG-CD1 4.33Å
477	G	92.3	Very high	92.1	Very high	16 Å²	16	34.7 Å²	34.7	17%	0.165	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.9	-166.4	-178.8	0	0	0	0	0	113.6	E452 R453 T484	E452-G477 CarbonylContact C-O 3.6Å; E452-G477 VanDerWaalsContact CA-O 3.28Å; E452-G477 WeakPolarHBondContact CA-O 3.4Å; R453-G477 PolarHBondContact N-O 2.77Å; R453-G477 PolarHBondContact O-N 2.94Å; G477-T484 WeakPolarHBondContact CA-OG1 3.45Å
478	C	92.3	Very high	92.2	Very high	78 Å²	78	31 Å²	31	53%	0.527	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	144	-177.7	-61.8	0	0	0	0	112.1	G480 D481 T484	C478-G480 PolarHBondContact O-N 3.37Å; C478-D481 WeakPolarHBondContact O-CB 3.24Å; C478-D481 PolarHBondContact O-N 2.87Å; C478-T484 WeakPolarHBondContact O-CB 3.46Å; C478-T484 WeakPolarHBondContact O-CG2 3.48Å
479	I	89.8	Confident	92.2	Very high	46 Å²	46	31.5 Å²	31.5	24%	0.236	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	135.5	174.8	-61.5	157.2	0	0	0	110.5	T408 R451 R453 D481 V1105	T408-I479 HydrophobicContact CG2-CD1 3.63Å; T408-I479 HydrophobicContact CG2-CG1 4.48Å; R451-I479 VanDerWaalsContact C-CD1 3.47Å; R451-I479 VanDerWaalsContact CA-CD1 3.47Å; R451-I479 HydrophobicContact CB-CD1 4.15Å; R451-I479 WeakPolarHBondContact O-CD1 3.49Å; R451-I479 WeakPolarHBondContact O-CG1 3.2Å; R451-I479 PolarHBondContact O-N 3.16Å; R451-I479 VanDerWaalsContact O-N 3.16Å; R453-I479 HydrophobicContact CG-CG1 4.3Å; I479-D481 VanDerWaalsContact C-N 3.26Å; I479-D481 PolarHBondContact O-N 2.76Å; I479-V1105 HydrophobicContact CD1-CG1 3.88Å; I479-V1105 WeakPolarHBondContact CD1-O 3.24Å
480	G	86.6	Confident	92.3	Very high	56 Å²	56	31.4 Å²	31.4	58%	0.577	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.9	-6.3	178.3	0	0	0	0	0	114.9	C478 E485	C478-G480 PolarHBondContact O-N 3.37Å; G480-E485 PolarHBondContact N-OE1 3.14Å
481	D	91.5	Very high	92.4	Very high	75 Å²	75	32.5 Å²	32.5	40%	0.401	19%	0.19	S	C	.	.			trans	-68.6	133.6	164.9	170	63.5	0	0	0	110.2	C478 I479 E483 T484 E485	C478-D481 WeakPolarHBondContact O-CB 3.24Å; C478-D481 PolarHBondContact O-N 2.87Å; I479-D481 VanDerWaalsContact C-N 3.26Å; I479-D481 PolarHBondContact O-N 2.76Å; D481-E483 VanDerWaalsContact C-N 3.34Å; D481-E483 PolarHBondContact O-N 2.85Å; D481-E483 WeakPolarHBondContact OD2-CB 3.42Å; D481-E483 PolarHBondContact OD2-N 2.83Å; D481-T484 PolarHBondContact O-N 2.98Å; D481-T484 WeakPolarHBondContact OD2-CB 3.3Å; D481-T484 PolarHBondContact OD2-N 3.02Å; D481-T484 PolarHBondContact OD2-OG1 3.46Å; D481-E485 WeakPolarHBondContact O-CG 3.37Å; D481-E485 PolarHBondContact O-N 2.97Å
482	L	91.3	Very high	92.5	Very high	62 Å²	62	32.9 Å²	32.9	33%	0.325	19%	0.192	S	C	.	.	H	α-helix	trans	-64	-40.1	-172.5	177.2	63.1	0	0	0	112	T486 L985 F986 L989	L482-T486 VanDerWaalsContact O-CB 3.27Å; L482-T486 WeakPolarHBondContact O-CB 3.46Å; L482-T486 PolarHBondContact O-N 3.15Å; L482-T486 PolarHBondContact O-OG1 3.43Å; L482-L985 HydrophobicContact CD1-CD2 4.18Å; L482-F986 HydrophobicContact CD1-CE2 3.95Å; L482-F986 HydrophobicContact CD1-CZ 3.77Å; L482-F986 HydrophobicContact CD2-CZ 4.07Å; L482-L989 HydrophobicContact CD1-CD1 4.02Å
483	E	92.6	Very high	92.5	Very high	63 Å²	63	34.3 Å²	34.3	29%	0.294	20%	0.198	S	C	.	.	H	α-helix	trans	-65.4	-45	178.5	-175.7	58.5	-149	0	0	110.2	D481 E485 T486 Q487 R615	D481-E483 VanDerWaalsContact C-N 3.34Å; D481-E483 PolarHBondContact O-N 2.85Å; D481-E483 WeakPolarHBondContact OD2-CB 3.42Å; D481-E483 PolarHBondContact OD2-N 2.83Å; E483-E485 PolarHBondContact O-N 3.34Å; E483-T486 WeakPolarHBondContact O-CB 3.32Å; E483-T486 PolarHBondContact O-N 3.27Å; E483-Q487 WeakPolarHBondContact O-CG 3.47Å; E483-Q487 PolarHBondContact O-N 2.84Å; E483-Q487 PolarHBondContact OE1-NE2 3.06Å; E483-R615 IonicContact OE2-CZ 2.96Å; E483-R615 IonicContact OE2-NH1 3.9Å; E483-R615 PolarHBondContact OE2-NH1 3.21Å; E483-R615 IonicContact OE2-NH2 3.68Å; E483-R615 PolarHBondContact OE2-NH2 3.43Å
484	T	94.4	Very high	92.5	Very high	4 Å²	4	38 Å²	38	3%	0.025	22%	0.218	C	C	.	.	H	α-helix	trans	-60.9	-45.7	177.9	-56	0	0	0	0	112.3	R453 L476 G477 C478 D481 T486 Q487 T488	R453-T484 HydrophobicContact CB-CG2 3.6Å; R453-T484 HydrophobicContact CG-CG2 3.47Å; R453-T484 VanDerWaalsContact CG-CG2 3.47Å; L476-T484 HydrophobicContact CB-CG2 4.07Å; G477-T484 WeakPolarHBondContact CA-OG1 3.45Å; C478-T484 WeakPolarHBondContact O-CB 3.46Å; C478-T484 WeakPolarHBondContact O-CG2 3.48Å; D481-T484 PolarHBondContact O-N 2.98Å; D481-T484 WeakPolarHBondContact OD2-CB 3.3Å; D481-T484 PolarHBondContact OD2-N 3.02Å; D481-T484 PolarHBondContact OD2-OG1 3.46Å; T484-T486 VanDerWaalsContact C-N 3.34Å; T484-Q487 PolarHBondContact O-N 2.82Å; T484-T488 WeakPolarHBondContact O-CB 3.37Å; T484-T488 PolarHBondContact O-N 2.95Å; T484-T488 PolarHBondContact O-OG1 2.83Å
485	E	94.4	Very high	92.5	Very high	13 Å²	13	34.8 Å²	34.8	6%	0.061	20%	0.203	C	C	.	.	H	α-helix	trans	-70.1	-32.6	178.1	-63.9	-61.9	149.6	0	0	111.5	R453 G480 D481 E483 T488 I489 L985	R453-E485 IonicContact CZ-OE1 2.69Å; R453-E485 IonicContact CZ-OE2 3.95Å; R453-E485 IonicContact NE-OE1 2.69Å; R453-E485 PolarHBondContact NE-OE1 3.48Å; R453-E485 IonicContact NE-OE2 3.51Å; R453-E485 IonicContact NH2-OE1 3.65Å; R453-E485 PolarHBondContact NH2-OE1 3.23Å; R453-E485 IonicContact NH2-OE2 3.91Å; R453-E485 PolarHBondContact NH2-OE2 2.77Å; G480-E485 PolarHBondContact N-OE1 3.14Å; D481-E485 WeakPolarHBondContact O-CG 3.37Å; D481-E485 PolarHBondContact O-N 2.97Å; E483-E485 PolarHBondContact O-N 3.34Å; E485-T488 WeakPolarHBondContact O-CB 3.29Å; E485-T488 PolarHBondContact O-N 2.85Å; E485-I489 WeakPolarHBondContact O-CG1 3.46Å; E485-I489 PolarHBondContact O-N 2.95Å; E485-L985 HydrophobicContact CB-CD2 4.04Å
486	T	94	Very high	92	Very high	4 Å²	4	37 Å²	37	3%	0.025	22%	0.216	C	C	.	.	H	α-helix	trans	-64.4	-47.6	173.6	-63	0	0	0	0	111.6	L482 E483 T484 T488 I489 L490 L612	L482-T486 VanDerWaalsContact O-CB 3.27Å; L482-T486 WeakPolarHBondContact O-CB 3.46Å; L482-T486 PolarHBondContact O-N 3.15Å; L482-T486 PolarHBondContact O-OG1 3.43Å; E483-T486 WeakPolarHBondContact O-CB 3.32Å; E483-T486 PolarHBondContact O-N 3.27Å; T484-T486 VanDerWaalsContact C-N 3.34Å; T486-T488 VanDerWaalsContact C-N 3.26Å; T486-T488 PolarHBondContact O-N 3.15Å; T486-I489 PolarHBondContact O-N 2.71Å; T486-L490 HydrophobicContact CG2-CD1 4.3Å; T486-L490 WeakPolarHBondContact O-CG 3.2Å; T486-L490 PolarHBondContact O-N 2.66Å; T486-L490 VanDerWaalsContact O-N 3.1Å; T486-L612 HydrophobicContact CG2-CD1 3.39Å
487	Q	93.9	Very high	91.6	Very high	63 Å²	63	38.4 Å²	38.4	29%	0.294	22%	0.223	S	C	.	.	H	α-helix	trans	-60.9	-38.7	174.1	-71	-178.9	0.7	0	0	111.6	E483 T484 I489 L490 I491	E483-Q487 WeakPolarHBondContact O-CG 3.47Å; E483-Q487 PolarHBondContact O-N 2.84Å; E483-Q487 PolarHBondContact OE1-NE2 3.06Å; T484-Q487 PolarHBondContact O-N 2.82Å; Q487-I489 PolarHBondContact O-N 2.82Å; Q487-L490 PolarHBondContact O-N 3.28Å; Q487-I491 WeakPolarHBondContact O-CD1 3.34Å; Q487-I491 WeakPolarHBondContact O-CG1 3.41Å; Q487-I491 PolarHBondContact O-N 3.45Å
488	T	95.5	Very high	91.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-57.4	-48.5	175.3	-61.7	0	0	0	0	111.3	V406 W432 T484 E485 T486 L490 I491 E492	V406-T488 HydrophobicContact CB-CG2 3.96Å; V406-T488 HydrophobicContact CG1-CG2 3.74Å; V406-T488 HydrophobicContact CG2-CG2 4.11Å; W432-T488 HydrophobicContact CB-CG2 4.35Å; W432-T488 VanDerWaalsContact CD1-CG2 3.48Å; W432-T488 HydrophobicContact CD2-CG2 3.98Å; W432-T488 HydrophobicContact CG-CG2 3.72Å; T484-T488 WeakPolarHBondContact O-CB 3.37Å; T484-T488 PolarHBondContact O-N 2.95Å; T484-T488 PolarHBondContact O-OG1 2.83Å; E485-T488 WeakPolarHBondContact O-CB 3.29Å; E485-T488 PolarHBondContact O-N 2.85Å; T486-T488 VanDerWaalsContact C-N 3.26Å; T486-T488 PolarHBondContact O-N 3.15Å; T488-L490 VanDerWaalsContact C-N 3.34Å; T488-L490 PolarHBondContact O-N 3.27Å; T488-I491 PolarHBondContact O-N 2.91Å; T488-E492 HydrophobicContact CG2-CG 4.38Å; T488-E492 WeakPolarHBondContact O-CB 3.37Å; T488-E492 VanDerWaalsContact O-CG 3.3Å; T488-E492 WeakPolarHBondContact O-CG 3.49Å; T488-E492 PolarHBondContact O-N 2.98Å
489	I	94.8	Very high	90.8	Very high	10 Å²	10	43.6 Å²	43.6	5%	0.051	24%	0.238	C	C	.	.	H	α-helix	trans	-61.3	-41.2	178.1	-67.9	164.6	0	0	0	111.7	E485 T486 Q487 H493 V978 L985	E485-I489 WeakPolarHBondContact O-CG1 3.46Å; E485-I489 PolarHBondContact O-N 2.95Å; T486-I489 PolarHBondContact O-N 2.71Å; Q487-I489 PolarHBondContact O-N 2.82Å; I489-H493 PolarHBondContact O-N 2.84Å; I489-H493 PolarHBondContact O-ND1 3.35Å; I489-V978 HydrophobicContact CG2-CB 4.24Å; I489-V978 HydrophobicContact CG2-CG1 4.04Å; I489-V978 HydrophobicContact CG2-CG2 4.1Å; I489-L985 HydrophobicContact CD1-CB 4.19Å; I489-L985 HydrophobicContact CD1-CD2 3.85Å
490	L	95.4	Very high	90.7	Very high	8 Å²	8	43.3 Å²	43.3	4%	0.042	24%	0.235	C	C	.	.	H	α-helix	trans	-63.4	-49.6	179.2	-71.1	164.4	0	0	0	111.8	T486 Q487 T488 H493 N494 L495 I497 Y617 V978	T486-L490 HydrophobicContact CG2-CD1 4.3Å; T486-L490 WeakPolarHBondContact O-CG 3.2Å; T486-L490 PolarHBondContact O-N 2.66Å; T486-L490 VanDerWaalsContact O-N 3.1Å; Q487-L490 PolarHBondContact O-N 3.28Å; T488-L490 VanDerWaalsContact C-N 3.34Å; T488-L490 PolarHBondContact O-N 3.27Å; L490-H493 CarbonylContact O-C 3.51Å; L490-H493 PolarHBondContact O-N 3.5Å; L490-N494 PolarHBondContact O-N 3.21Å; L490-L495 HydrophobicContact CD2-CB 4.2Å; L490-L495 HydrophobicContact CD2-CD1 4.48Å; L490-L495 PolarHBondContact O-N 3.37Å; L490-I497 HydrophobicContact CD1-CG1 3.92Å; L490-I497 HydrophobicContact CD2-CD1 4.32Å; L490-I497 HydrophobicContact CD2-CG1 4.02Å; L490-Y617 HydrophobicContact CD1-CE2 3.75Å; L490-Y617 HydrophobicContact CD2-CD2 4.47Å; L490-Y617 HydrophobicContact CD2-CE2 4.29Å; L490-V978 HydrophobicContact CD2-CG1 3.81Å; L490-V978 HydrophobicContact CD2-CG2 4.47Å
491	I	93.9	Very high	90.6	Very high	26 Å²	26	41.7 Å²	41.7	13%	0.133	21%	0.214	C	C	.	.	H	α-helix	trans	-66	-41.2	-178.2	-67.8	157.9	0	0	0	111.1	D404 V406 I455 L476 Q487 T488 H493 N494	D404-I491 HydrophobicContact CB-CG2 4.29Å; V406-I491 HydrophobicContact CG2-CB 4.01Å; V406-I491 HydrophobicContact CG2-CD1 4.45Å; V406-I491 HydrophobicContact CG2-CG2 3.8Å; I455-I491 HydrophobicContact CD1-CD1 3.59Å; I455-I491 HydrophobicContact CD1-CG1 4.35Å; I455-I491 HydrophobicContact CD1-CG2 4.26Å; I455-I491 HydrophobicContact CG1-CD1 4.19Å; L476-I491 HydrophobicContact CD1-CD1 3.77Å; L476-I491 HydrophobicContact CD2-CD1 3.6Å; L476-I491 HydrophobicContact CG-CD1 4.33Å; Q487-I491 WeakPolarHBondContact O-CD1 3.34Å; Q487-I491 WeakPolarHBondContact O-CG1 3.41Å; Q487-I491 PolarHBondContact O-N 3.45Å; T488-I491 PolarHBondContact O-N 2.91Å; I491-H493 PolarHBondContact O-N 2.9Å; I491-H493 VanDerWaalsContact O-N 3.11Å; I491-N494 PolarHBondContact O-N 3.09Å
492	E	93.4	Very high	90	Very high	10 Å²	10	44.8 Å²	44.8	5%	0.047	23%	0.23	C	C	.	.	H	α-helix	trans	-62.8	-20.2	179.7	-76.1	-63.3	155	0	0	113.7	R403 V406 W432 T488	R403-E492 IonicContact CZ-OE2 2.88Å; R403-E492 VanDerWaalsContact CZ-OE2 3.25Å; R403-E492 PolarHBondContact NH1-O 3.48Å; R403-E492 IonicContact NH1-OE2 2.97Å; R403-E492 PolarHBondContact NH1-OE2 3.24Å; R403-E492 PolarHBondContact NH2-O 3.36Å; R403-E492 IonicContact NH2-OE2 3.26Å; R403-E492 PolarHBondContact NH2-OE2 2.82Å; V406-E492 HydrophobicContact CB-CG 4.47Å; V406-E492 HydrophobicContact CG2-CG 4.24Å; V406-E492 PolarHBondContact N-OE1 2.84Å; W432-E492 HydrophobicContact CD2-CG 4.28Å; W432-E492 HydrophobicContact CE3-CB 4.4Å; W432-E492 HydrophobicContact CE3-CG 3.73Å; W432-E492 HydrophobicContact CZ3-CB 4.48Å; W432-E492 HydrophobicContact CZ3-CG 4.28Å; T488-E492 HydrophobicContact CG2-CG 4.38Å; T488-E492 WeakPolarHBondContact O-CB 3.37Å; T488-E492 VanDerWaalsContact O-CG 3.3Å; T488-E492 WeakPolarHBondContact O-CG 3.49Å; T488-E492 PolarHBondContact O-N 2.98Å
493	H	92.6	Very high	89.3	Confident	33 Å²	33	43.3 Å²	43.3	15%	0.153	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	15.6	174.4	-63.3	97.7	0	0	0	113.3	I489 L490 I491 L495 A974 Q977 V978	I489-H493 PolarHBondContact O-N 2.84Å; I489-H493 PolarHBondContact O-ND1 3.35Å; L490-H493 CarbonylContact O-C 3.51Å; L490-H493 PolarHBondContact O-N 3.5Å; I491-H493 PolarHBondContact O-N 2.9Å; I491-H493 VanDerWaalsContact O-N 3.11Å; H493-L495 VanDerWaalsContact C-N 3.26Å; H493-L495 PolarHBondContact O-N 3.19Å; H493-A974 WeakPolarHBondContact O-CB 3.45Å; H493-Q977 WeakPolarHBondContact CD2-CB 3.48Å; H493-V978 HydrophobicContact CB-CG2 3.54Å
494	N	90.5	Very high	89	Confident	93 Å²	93	40.6 Å²	40.6	50%	0.497	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	30.7	-179.8	-55	-59.3	0	0	0	114.5	R403 L490 I491	R403-N494 VanDerWaalsContact CD-OD1 3.29Å; R403-N494 WeakPolarHBondContact CD-OD1 3.35Å; L490-N494 PolarHBondContact O-N 3.21Å; I491-N494 PolarHBondContact O-N 3.09Å
495	L	90.8	Very high	88.6	Confident	7 Å²	7	44.1 Å²	44.1	4%	0.037	23%	0.232	C	C	.	.			trans	-97.2	106.4	172.8	-64.4	-178	0	0	0	109.9	L490 H493 I610 A974 A975 V978	L490-L495 HydrophobicContact CD2-CB 4.2Å; L490-L495 HydrophobicContact CD2-CD1 4.48Å; L490-L495 PolarHBondContact O-N 3.37Å; H493-L495 VanDerWaalsContact C-N 3.26Å; H493-L495 PolarHBondContact O-N 3.19Å; L495-I610 HydrophobicContact CB-CD1 4.38Å; L495-I610 HydrophobicContact CD1-CD1 3.59Å; L495-I610 HydrophobicContact CD1-CG1 4.11Å; L495-I610 HydrophobicContact CD2-CD1 4.45Å; L495-I610 HydrophobicContact CG-CD1 4.36Å; L495-A974 HydrophobicContact CD1-CB 4.24Å; L495-A974 HydrophobicContact CD2-CB 3.69Å; L495-A974 HydrophobicContact CG-CB 3.94Å; L495-A975 HydrophobicContact CD1-CB 4.43Å; L495-V978 HydrophobicContact CD1-CB 4.07Å; L495-V978 HydrophobicContact CD1-CG2 3.56Å; L495-V978 HydrophobicContact CG-CG2 4.37Å
496	V	79.3	Confident	88	Confident	86 Å²	86	46.9 Å²	46.9	52%	0.521	25%	0.253	S	S	.	.			trans	-95.8	105.5	176.5	-177.8	0	0	0	0	109.1	R498 R605	V496-R498 HydrophobicContact CG1-CG 4.27Å; V496-R605 PolarHBondContact O-NH2 2.88Å; V496-R605 VanDerWaalsContact O-NH2 3.15Å
497	I	84.6	Confident	87.5	Confident	53 Å²	53	49.6 Å²	49.6	27%	0.272	27%	0.265	S	S	.	.			trans	-87.6	131.4	176.2	-50.5	-54.9	0	0	0	109.4	L490 I610 Y617	L490-I497 HydrophobicContact CD1-CG1 3.92Å; L490-I497 HydrophobicContact CD2-CD1 4.32Å; L490-I497 HydrophobicContact CD2-CG1 4.02Å; I497-I610 HydrophobicContact CD1-CD1 3.49Å; I497-I610 VanDerWaalsContact CD1-CD1 3.49Å; I497-Y617 HydrophobicContact CB-CD1 4.5Å; I497-Y617 HydrophobicContact CD1-CD2 4.19Å; I497-Y617 HydrophobicContact CD1-CG 4.13Å; I497-Y617 HydrophobicContact CG1-CD1 4.42Å; I497-Y617 HydrophobicContact CG1-CD2 4.06Å; I497-Y617 HydrophobicContact CG1-CE2 4.27Å; I497-Y617 HydrophobicContact CG1-CG 4.12Å; I497-Y617 HydrophobicContact CG2-CD1 3.45Å; I497-Y617 VanDerWaalsContact CG2-CD1 3.45Å; I497-Y617 HydrophobicContact CG2-CE1 3.77Å; I497-Y617 HydrophobicContact CG2-CG 3.87Å
498	R	82.2	Confident	87.1	Confident	58 Å²	58	47 Å²	47	22%	0.219	25%	0.253	C	S	.	.			trans	-131.5	160.5	172.9	-62.4	-173.5	-174.7	162.2	2.6	110.3	D116 S118 V496 R606	D116-R498 IonicContact OD1-NH1 2.73Å; D116-R498 IonicContact OD2-CZ 3.74Å; D116-R498 IonicContact OD2-NH1 2.63Å; D116-R498 PolarHBondContact OD2-NH1 3.41Å; S118-R498 PolarHBondContact OG-NH1 2.88Å; V496-R498 HydrophobicContact CG1-CG 4.27Å; R498-R606 PolarHBondContact O-NH2 3.12Å
499	N	86	Confident	86.2	Confident	146 Å²	146	49.6 Å²	49.6	78%	0.781	28%	0.275	S	S	*	.	P	Polyproline II helix	trans	-73.8	153.1	170.2	-66.8	-29.4	0	0	0	110.4
500	F	88	Confident	85.1	Confident	40 Å²	40	53.6 Å²	53.6	18%	0.175	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-66.6	135.6	172.4	-67.1	-80	0	0	0	109.8	L505 E602 L620 P621	F500-L505 HydrophobicContact CB-CD2 4.11Å; F500-L505 HydrophobicContact CB-CG 4.27Å; F500-E602 HydrophobicContact CD1-CG 4.1Å; F500-E602 HydrophobicContact CE1-CG 3.79Å; F500-L620 WeakPolarHBondContact CZ-O 3.41Å; F500-P621 HydrophobicContact CD1-CG 3.71Å; F500-P621 HydrophobicContact CD2-CB 4.21Å; F500-P621 HydrophobicContact CD2-CG 4.17Å; F500-P621 HydrophobicContact CE1-CG 3.82Å; F500-P621 HydrophobicContact CE2-CB 4.35Å; F500-P621 HydrophobicContact CE2-CG 4.28Å; F500-P621 HydrophobicContact CG-CB 4.34Å; F500-P621 HydrophobicContact CG-CG 3.89Å; F500-P621 HydrophobicContact CZ-CG 4.12Å; F500-P621 VanDerWaalsContact CZ-N 3.31Å
501	T	83.1	Confident	84	Confident	22 Å²	22	55 Å²	55	14%	0.135	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-77.3	160.3	-175.1	69.7	0	0	0	0	111.5	S118 A503 Q504 L505	S118-T501 VanDerWaalsContact CA-CG2 3.45Å; S118-T501 VanDerWaalsContact CB-CG2 3.42Å; T501-A503 PolarHBondContact O-N 3.1Å; T501-Q504 WeakPolarHBondContact O-CB 3.38Å; T501-Q504 PolarHBondContact O-N 3.19Å; T501-Q504 VanDerWaalsContact O-N 3.08Å; T501-Q504 WeakPolarHBondContact OG1-CG 3.17Å; T501-Q504 PolarHBondContact OG1-N 3.41Å; T501-Q504 PolarHBondContact OG1-OE1 3.29Å; T501-L505 WeakPolarHBondContact O-CG 3.5Å; T501-L505 PolarHBondContact O-N 3.28Å
502	D	79.6	Confident	82.7	Confident	140 Å²	140	55.7 Å²	55.7	75%	0.749	32%	0.316	S	S	*	.	H	α-helix	trans	-59.7	-32.3	174.6	-66.5	-31.9	0	0	0	112.2	L505 S506	D502-L505 PolarHBondContact O-N 3.39Å; D502-S506 WeakPolarHBondContact O-CB 3.41Å; D502-S506 PolarHBondContact O-N 3.39Å; D502-S506 PolarHBondContact O-OG 3.16Å
503	A	76.6	Confident	81.2	Confident	30 Å²	30	61.5 Å²	61.5	25%	0.248	35%	0.352	C	S	.	.	H	α-helix	trans	-62.8	-47	174.1	0	0	0	0	0	111.2	T501 S506 E507 Y598	T501-A503 PolarHBondContact O-N 3.1Å; A503-S506 PolarHBondContact O-N 2.83Å; A503-S506 PolarHBondContact O-OG 3.01Å; A503-E507 PolarHBondContact O-N 3.25Å; A503-Y598 HydrophobicContact CB-CD2 4.11Å; A503-Y598 HydrophobicContact CB-CE2 4.28Å
504	Q	86.3	Confident	79.8	Confident	6 Å²	6	68.7 Å²	68.7	3%	0.028	39%	0.386	C	S	.	.	H	α-helix	trans	-63.5	-44	176.1	-68.1	160.4	-8.7	0	0	111.3	T501 S506 E507 I599	T501-Q504 WeakPolarHBondContact O-CB 3.38Å; T501-Q504 PolarHBondContact O-N 3.19Å; T501-Q504 VanDerWaalsContact O-N 3.08Å; T501-Q504 WeakPolarHBondContact OG1-CG 3.17Å; T501-Q504 PolarHBondContact OG1-N 3.41Å; T501-Q504 PolarHBondContact OG1-OE1 3.29Å; Q504-S506 VanDerWaalsContact C-N 3.31Å; Q504-S506 PolarHBondContact O-N 3.43Å; Q504-E507 WeakPolarHBondContact O-CB 3.49Å; Q504-E507 PolarHBondContact O-N 3.26Å; Q504-I599 HydrophobicContact CB-CG1 4.16Å; Q504-I599 WeakPolarHBondContact O-CD1 3.48Å
505	L	86.2	Confident	78.7	Confident	78 Å²	78	73.3 Å²	73.3	41%	0.408	40%	0.396	S	S	.	.	H	α-helix	trans	-69.5	-28.9	178.5	-63.8	176.8	0	0	0	112.5	F500 T501 D502 E507 L508 A509 P621	F500-L505 HydrophobicContact CB-CD2 4.11Å; F500-L505 HydrophobicContact CB-CG 4.27Å; T501-L505 WeakPolarHBondContact O-CG 3.5Å; T501-L505 PolarHBondContact O-N 3.28Å; D502-L505 PolarHBondContact O-N 3.39Å; L505-E507 VanDerWaalsContact C-N 3.29Å; L505-E507 PolarHBondContact O-N 2.87Å; L505-L508 CarbonylContact O-C 3.53Å; L505-L508 WeakPolarHBondContact O-CA 3.24Å; L505-L508 WeakPolarHBondContact O-CB 3.32Å; L505-L508 PolarHBondContact O-N 3.32Å; L505-A509 PolarHBondContact O-N 3.2Å; L505-P621 HydrophobicContact CD2-CB 4.34Å
506	S	82.4	Confident	77.7	Confident	71 Å²	71	77.6 Å²	77.6	50%	0.497	42%	0.424	S	S	.	.	H	α-helix	trans	-66.9	-29.2	177.1	76	0	0	0	0	112.8	D502 A503 Q504 L508 A509	D502-S506 WeakPolarHBondContact O-CB 3.41Å; D502-S506 PolarHBondContact O-N 3.39Å; D502-S506 PolarHBondContact O-OG 3.16Å; A503-S506 PolarHBondContact O-N 2.83Å; A503-S506 PolarHBondContact O-OG 3.01Å; Q504-S506 VanDerWaalsContact C-N 3.31Å; Q504-S506 PolarHBondContact O-N 3.43Å; S506-L508 PolarHBondContact O-N 3.49Å; S506-A509 VanDerWaalsContact O-CB 3.23Å; S506-A509 WeakPolarHBondContact O-CB 3.3Å; S506-A509 PolarHBondContact O-N 2.97Å
507	E	83.1	Confident	77.9	Confident	61 Å²	61	75.6 Å²	75.6	29%	0.285	41%	0.407	S	S	.	.	H	α-helix	trans	-60.9	-26.8	170.9	-62.5	-175.1	151.1	0	0	111.4	A503 Q504 L505 S597 Y598 I599	A503-E507 PolarHBondContact O-N 3.25Å; Q504-E507 WeakPolarHBondContact O-CB 3.49Å; Q504-E507 PolarHBondContact O-N 3.26Å; L505-E507 VanDerWaalsContact C-N 3.29Å; L505-E507 PolarHBondContact O-N 2.87Å; E507-S597 WeakPolarHBondContact OE1-CB 3.36Å; E507-Y598 HydrophobicContact CG-CD2 4.15Å; E507-Y598 WeakPolarHBondContact OE1-CB 3.47Å; E507-Y598 WeakPolarHBondContact OE1-CD2 3.32Å; E507-Y598 PolarHBondContact OE1-N 3.03Å; E507-Y598 PolarHBondContact OE2-N 2.9Å; E507-I599 HydrophobicContact CB-CD1 4.08Å; E507-I599 VanDerWaalsContact OE2-CG1 3.3Å; E507-I599 WeakPolarHBondContact OE2-CG1 3.29Å; E507-I599 PolarHBondContact OE2-N 2.79Å
508	L	84.1	Confident	77.9	Confident	8 Å²	8	81.1 Å²	81.1	4%	0.042	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-4.9	177	-54.8	178.2	0	0	0	113.7	L505 S506 P510 L511 S512 I599 P621 L623 L624	L505-L508 CarbonylContact O-C 3.53Å; L505-L508 WeakPolarHBondContact O-CA 3.24Å; L505-L508 WeakPolarHBondContact O-CB 3.32Å; L505-L508 PolarHBondContact O-N 3.32Å; S506-L508 PolarHBondContact O-N 3.49Å; L508-P510 VanDerWaalsContact C-N 3.3Å; L508-L511 HydrophobicContact CD2-CD1 4.18Å; L508-L511 CarbonylContact O-C 3.54Å; L508-L511 WeakPolarHBondContact O-CA 3.15Å; L508-L511 WeakPolarHBondContact O-CB 3.27Å; L508-L511 PolarHBondContact O-N 3.06Å; L508-S512 PolarHBondContact O-N 2.86Å; L508-S512 VanDerWaalsContact O-N 3.15Å; L508-I599 HydrophobicContact CD1-CD1 3.99Å; L508-I599 HydrophobicContact CD2-CD1 3.61Å; L508-I599 HydrophobicContact CG-CD1 3.64Å; L508-P621 HydrophobicContact CD1-CB 3.79Å; L508-P621 HydrophobicContact CD1-CG 3.99Å; L508-L623 HydrophobicContact CB-CD2 4.07Å; L508-L623 HydrophobicContact CD1-CB 4.37Å; L508-L623 HydrophobicContact CD1-CD2 4.31Å; L508-L624 HydrophobicContact CD1-CG 4.26Å; L508-L624 HydrophobicContact CD2-CD1 4.1Å; L508-L624 HydrophobicContact CD2-CD2 3.93Å; L508-L624 HydrophobicContact CD2-CG 4.03Å
509	A	76.9	Confident	78	Confident	56 Å²	56	79.5 Å²	79.5	46%	0.463	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-53.9	-39.1	-179.6	0	0	0	0	0	113.6	L505 S506 L511 S512	L505-A509 PolarHBondContact O-N 3.2Å; S506-A509 VanDerWaalsContact O-CB 3.23Å; S506-A509 WeakPolarHBondContact O-CB 3.3Å; S506-A509 PolarHBondContact O-N 2.97Å; A509-L511 PolarHBondContact O-N 2.96Å; A509-S512 VanDerWaalsContact O-CB 3.31Å; A509-S512 WeakPolarHBondContact O-CB 3.36Å; A509-S512 PolarHBondContact O-N 3.32Å; A509-S512 PolarHBondContact O-OG 2.85Å
510	P	72.2	Confident	78.1	Confident	93 Å²	93	76.4 Å²	76.4	60%	0.604	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-62.3	-23.3	174.4	-22.3	34.7	0	0	0	114.1	L508	L508-P510 VanDerWaalsContact C-N 3.3Å
511	L	73	Confident	78.1	Confident	39 Å²	39	80.5 Å²	80.5	20%	0.204	43%	0.432	C	S	.	.	G	3₁₀ helix	trans	-101.8	3.9	-177.2	-55.2	172.4	0	0	0	112.6	L508 A509 W517 F592 L628	L508-L511 HydrophobicContact CD2-CD1 4.18Å; L508-L511 CarbonylContact O-C 3.54Å; L508-L511 WeakPolarHBondContact O-CA 3.15Å; L508-L511 WeakPolarHBondContact O-CB 3.27Å; L508-L511 PolarHBondContact O-N 3.06Å; A509-L511 PolarHBondContact O-N 2.96Å; L511-W517 HydrophobicContact CD2-CG 4.32Å; L511-F592 HydrophobicContact CD1-CD1 4.09Å; L511-L628 HydrophobicContact CB-CD1 3.86Å; L511-L628 HydrophobicContact CD1-CD1 3.91Å; L511-L628 HydrophobicContact CG-CD1 4.37Å
512	S	65.8	Low	78.4	Confident	40 Å²	40	84 Å²	84	28%	0.28	45%	0.447	S	S	.	.	S	Bend	trans	-63.7	161.5	-175	65.9	0	0	0	0	113.1	L508 A509 Q514 R515	L508-S512 PolarHBondContact O-N 2.86Å; L508-S512 VanDerWaalsContact O-N 3.15Å; A509-S512 VanDerWaalsContact O-CB 3.31Å; A509-S512 WeakPolarHBondContact O-CB 3.36Å; A509-S512 PolarHBondContact O-N 3.32Å; A509-S512 PolarHBondContact O-OG 2.85Å; S512-Q514 PolarHBondContact O-N 3.2Å; S512-R515 CarbonylContact O-C 3.44Å; S512-R515 VanDerWaalsContact O-C 3.32Å; S512-R515 PolarHBondContact O-N 2.69Å
513	V	63.1	Low	78.8	Confident	131 Å²	131	77.8 Å²	77.8	79%	0.794	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-27.9	-176	-177.5	0	0	0	0	113.9	R515	V513-R515 PolarHBondContact O-N 3.35Å
514	Q	62	Low	79.4	Confident	184 Å²	184	77.1 Å²	77.1	86%	0.86	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-22.1	176.9	-64.4	-176	2.2	0	0	113.1	S512	S512-Q514 PolarHBondContact O-N 3.2Å
515	R	66.9	Low	79.6	Confident	191 Å²	191	84.1 Å²	84.1	72%	0.721	44%	0.437	S	S	*	.	S	Bend	trans	-131.7	81.1	175.1	-66.4	-176.3	-177.6	-174.4	1.4	108.1	S512 V513 W517	S512-R515 CarbonylContact O-C 3.44Å; S512-R515 VanDerWaalsContact O-C 3.32Å; S512-R515 PolarHBondContact O-N 2.69Å; V513-R515 PolarHBondContact O-N 3.35Å; R515-W517 PolarHBondContact O-N 3.46Å
516	P	71.5	Confident	79.8	Confident	96 Å²	96	86.7 Å²	86.7	62%	0.623	45%	0.445	S	S	*	.			trans	-53.2	120.6	-179	21.9	-32.6	0	0	0	108.8	K518	P516-K518 PolarHBondContact O-N 3.21Å
517	W	82.8	Confident	80.4	Confident	45 Å²	45	84 Å²	84	17%	0.17	42%	0.424	C	S	.	.			trans	-57.6	134.4	-177.5	174.9	84.7	0	0	0	109.6	L511 R515 V519 F592 L628 Y638	L511-W517 HydrophobicContact CD2-CG 4.32Å; R515-W517 PolarHBondContact O-N 3.46Å; W517-V519 HydrophobicContact CH2-CG2 3.9Å; W517-V519 HydrophobicContact CZ3-CG2 4.3Å; W517-F592 AromaticContact CE2-CE1 3.99Å; W517-F592 AromaticContact CE2-CZ 4Å; W517-F592 HydrophobicContact CH2-CZ 4.39Å; W517-F592 HydrophobicContact CZ2-CE1 4.31Å; W517-F592 AromaticContact CZ2-CZ 3.88Å; W517-F592 HydrophobicContact CZ2-CZ 3.88Å; W517-F592 AromaticContact NE1-CE1 3.86Å; W517-L628 HydrophobicContact CB-CD2 3.56Å; W517-L628 HydrophobicContact CD2-CD2 4.19Å; W517-L628 HydrophobicContact CE3-CD2 4.2Å; W517-L628 HydrophobicContact CG-CD2 3.97Å; W517-Y638 HydrophobicContact CH2-CD2 4.15Å; W517-Y638 HydrophobicContact CH2-CE2 4.16Å; W517-Y638 HydrophobicContact CH2-CG 4.34Å; W517-Y638 AromaticContact CZ2-CD2 3.68Å; W517-Y638 HydrophobicContact CZ2-CD2 3.68Å; W517-Y638 HydrophobicContact CZ2-CE1 4.45Å; W517-Y638 AromaticContact CZ2-CE2 3.39Å; W517-Y638 HydrophobicContact CZ2-CE2 3.39Å; W517-Y638 HydrophobicContact CZ2-CG 4.3Å; W517-Y638 AromaticContact CZ2-CZ 3.76Å
518	K	83.6	Confident	80.9	Confident	169 Å²	169	84.1 Å²	84.1	74%	0.735	42%	0.421	S	S	*	.			trans	-127	152.6	172.7	-69.6	-174.5	178.3	-174.9	0	108	P516 D520	P516-K518 PolarHBondContact O-N 3.21Å; K518-D520 PolarHBondContact O-N 2.71Å
519	V	86.2	Confident	81.5	Confident	23 Å²	23	84.2 Å²	84.2	14%	0.139	42%	0.422	C	S	.	.			trans	-54	121.7	172.4	-177.1	0	0	0	0	109.5	W517 V524 D636 Y638 V662	W517-V519 HydrophobicContact CH2-CG2 3.9Å; W517-V519 HydrophobicContact CZ3-CG2 4.3Å; V519-V524 HydrophobicContact CG1-CG2 3.27Å; V519-D636 HydrophobicContact CG2-CB 3.44Å; V519-D636 VanDerWaalsContact CG2-CB 3.44Å; V519-Y638 HydrophobicContact CG1-CE1 3.7Å; V519-V662 HydrophobicContact CG1-CG1 3.9Å; V519-V662 HydrophobicContact CG1-CG2 4.4Å; V519-V662 HydrophobicContact CG2-CG1 4.17Å
520	D	88	Confident	82.5	Confident	81 Å²	81	81.6 Å²	81.6	43%	0.433	40%	0.4	S	S	.	.			trans	-72	126.1	173.5	-179.6	1.1	0	0	0	109.9	K518 E522 E523 V524 Y638	K518-D520 PolarHBondContact O-N 2.71Å; D520-E522 VanDerWaalsContact C-N 3.27Å; D520-E522 PolarHBondContact O-N 2.67Å; D520-E522 PolarHBondContact OD1-N 3.01Å; D520-E523 HydrophobicContact CB-CB 3.91Å; D520-E523 CarbonylContact O-C 3.53Å; D520-E523 WeakPolarHBondContact O-CA 3.25Å; D520-E523 WeakPolarHBondContact O-CB 3.5Å; D520-E523 PolarHBondContact O-N 2.73Å; D520-V524 WeakPolarHBondContact O-CG2 3.35Å; D520-V524 PolarHBondContact O-N 2.94Å; D520-Y638 PolarHBondContact N-OH 3.25Å
521	L	87.8	Confident	83.7	Confident	126 Å²	126	77.9 Å²	77.9	66%	0.66	37%	0.374	S	S	*	.	H	α-helix	trans	-61.4	-33.5	178.9	-67.3	173.7	0	0	0	112.6	E523 V524 K525	L521-E523 PolarHBondContact O-N 2.84Å; L521-V524 PolarHBondContact O-N 2.84Å; L521-K525 WeakPolarHBondContact O-CG 3.45Å; L521-K525 PolarHBondContact O-N 3.47Å
522	E	87.8	Confident	84.7	Confident	97 Å²	97	76.7 Å²	76.7	45%	0.453	37%	0.369	S	S	.	.	H	α-helix	trans	-70	-28	175.5	-69.2	-56	121.4	0	0	111.8	D520 K525 K526	D520-E522 VanDerWaalsContact C-N 3.27Å; D520-E522 PolarHBondContact O-N 2.67Å; D520-E522 PolarHBondContact OD1-N 3.01Å; E522-K525 IonicContact OE1-NZ 2.87Å; E522-K525 PolarHBondContact OE1-NZ 3.08Å; E522-K525 IonicContact OE2-NZ 3.76Å; E522-K526 WeakPolarHBondContact O-CG 3.3Å
523	E	88.3	Confident	86	Confident	8 Å²	8	77 Å²	77	4%	0.037	37%	0.37	C	S	.	.	H	α-helix	trans	-79.8	-35.6	174.7	-169.9	58.6	-155.1	0	0	111.4	D520 L521 K525 K526 R527 Y591 Y638 R928	D520-E523 HydrophobicContact CB-CB 3.91Å; D520-E523 CarbonylContact O-C 3.53Å; D520-E523 WeakPolarHBondContact O-CA 3.25Å; D520-E523 WeakPolarHBondContact O-CB 3.5Å; D520-E523 PolarHBondContact O-N 2.73Å; L521-E523 PolarHBondContact O-N 2.84Å; E523-K525 VanDerWaalsContact C-N 3.28Å; E523-K525 PolarHBondContact O-N 3.24Å; E523-K526 PolarHBondContact O-N 3.15Å; E523-K526 VanDerWaalsContact O-N 3.09Å; E523-R527 HydrophobicContact CG-CG 4.44Å; E523-R527 VanDerWaalsContact CG-NE 3.33Å; E523-R527 VanDerWaalsContact O-CG 3.29Å; E523-R527 WeakPolarHBondContact O-CG 3.36Å; E523-R527 PolarHBondContact O-N 3.06Å; E523-R527 IonicContact OE1-CZ 3.97Å; E523-R527 IonicContact OE1-NE 2.87Å; E523-R527 PolarHBondContact OE1-NE 3.09Å; E523-R527 IonicContact OE1-NH2 2.88Å; E523-R527 PolarHBondContact OE1-NH2 2.8Å; E523-Y591 HydrophobicContact CG-CE2 4.21Å; E523-Y638 WeakPolarHBondContact CB-OH 3.21Å; E523-Y638 HydrophobicContact CG-CE1 3.96Å; E523-Y638 HydrophobicContact CG-CE2 3.93Å; E523-Y638 WeakPolarHBondContact CG-OH 3.22Å; E523-R928 IonicContact OE1-CZ 3.46Å; E523-R928 IonicContact OE1-NH1 2.66Å; E523-R928 PolarHBondContact OE1-NH1 3.37Å; E523-R928 IonicContact OE1-NH2 3.43Å; E523-R928 IonicContact OE2-NH1 3.08Å; E523-R928 PolarHBondContact OE2-NH1 2.92Å
524	V	89.7	Confident	87.3	Confident	16 Å²	16	77.1 Å²	77.1	10%	0.097	37%	0.371	C	S	.	.	H	α-helix	trans	-55	-45.4	171.1	178.8	0	0	0	0	110.7	V519 D520 L521 K526 R527 D529 V662	V519-V524 HydrophobicContact CG1-CG2 3.27Å; D520-V524 WeakPolarHBondContact O-CG2 3.35Å; D520-V524 PolarHBondContact O-N 2.94Å; L521-V524 PolarHBondContact O-N 2.84Å; V524-K526 PolarHBondContact O-N 2.83Å; V524-K526 VanDerWaalsContact O-N 3.14Å; V524-R527 PolarHBondContact O-N 3.49Å; V524-D529 HydrophobicContact CG1-CB 4.42Å; V524-V662 HydrophobicContact CG2-CG2 4.3Å
525	K	90	Very high	88.7	Confident	154 Å²	154	72 Å²	72	67%	0.67	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-23.7	179.9	-69.4	171.6	-173.7	169.7	0	114	L521 E522 E523	L521-K525 WeakPolarHBondContact O-CG 3.45Å; L521-K525 PolarHBondContact O-N 3.47Å; E522-K525 IonicContact OE1-NZ 2.87Å; E522-K525 PolarHBondContact OE1-NZ 3.08Å; E522-K525 IonicContact OE2-NZ 3.76Å; E523-K525 VanDerWaalsContact C-N 3.28Å; E523-K525 PolarHBondContact O-N 3.24Å
526	K	90.6	Very high	89.7	Confident	131 Å²	131	64 Å²	64	57%	0.57	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-10	179.9	-63.5	172.4	-170.4	170.1	0	112.7	E522 E523 V524	E522-K526 WeakPolarHBondContact O-CG 3.3Å; E523-K526 PolarHBondContact O-N 3.15Å; E523-K526 VanDerWaalsContact O-N 3.09Å; V524-K526 PolarHBondContact O-N 2.83Å; V524-K526 VanDerWaalsContact O-N 3.14Å
527	R	94.2	Very high	90.5	Very high	15 Å²	15	62.4 Å²	62.4	6%	0.057	32%	0.324	C	S	.	.	S	Bend	trans	-110.5	154.9	-177.3	-68.4	-177.1	178.3	-110.8	1.7	109.5	E523 V524 D529 D588 Y591 R660 T661 V662	E523-R527 HydrophobicContact CG-CG 4.44Å; E523-R527 VanDerWaalsContact CG-NE 3.33Å; E523-R527 VanDerWaalsContact O-CG 3.29Å; E523-R527 WeakPolarHBondContact O-CG 3.36Å; E523-R527 PolarHBondContact O-N 3.06Å; E523-R527 IonicContact OE1-CZ 3.97Å; E523-R527 IonicContact OE1-NE 2.87Å; E523-R527 PolarHBondContact OE1-NE 3.09Å; E523-R527 IonicContact OE1-NH2 2.88Å; E523-R527 PolarHBondContact OE1-NH2 2.8Å; V524-R527 PolarHBondContact O-N 3.49Å; R527-D529 PolarHBondContact O-N 2.96Å; R527-D588 IonicContact CZ-OD2 2.79Å; R527-D588 IonicContact NH1-OD2 3.05Å; R527-D588 PolarHBondContact NH1-OD2 3.08Å; R527-D588 IonicContact NH2-OD2 3.94Å; R527-D588 PolarHBondContact NH2-OD2 2.93Å; R527-Y591 VanDerWaalsContact NH2-CD2 3.29Å; R527-R660 WeakPolarHBondContact CA-O 3.31Å; R527-R660 HydrophobicContact CG-CB 3.82Å; R527-T661 PolarHBondContact NH1-O 2.83Å; R527-V662 HydrophobicContact CB-CG2 3.79Å; R527-V662 HydrophobicContact CG-CG2 4.33Å
528	R	95.3	Very high	90.7	Very high	63 Å²	63	62.8 Å²	62.8	24%	0.238	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	119.9	170	-174.8	178.3	177.8	165.5	2.7	108.7	L530 E542 W657 R660 T661 V662	R528-L530 HydrophobicContact CG-CD2 3.81Å; R528-E542 WeakPolarHBondContact CD-OE1 3.49Å; R528-E542 WeakPolarHBondContact CG-OE1 3.3Å; R528-E542 IonicContact CZ-OE1 3.23Å; R528-E542 IonicContact CZ-OE2 2.72Å; R528-E542 IonicContact NE-OE1 2.9Å; R528-E542 PolarHBondContact NE-OE1 2.82Å; R528-E542 IonicContact NE-OE2 3.36Å; R528-E542 PolarHBondContact NE-OE2 3.18Å; R528-E542 IonicContact NH2-OE1 2.71Å; R528-E542 PolarHBondContact NH2-OE1 2.88Å; R528-E542 IonicContact NH2-OE2 3.16Å; R528-E542 PolarHBondContact NH2-OE2 3.08Å; R528-W657 HydrophobicContact CB-CH2 3.68Å; R528-W657 HydrophobicContact CB-CZ2 3.77Å; R528-W657 HydrophobicContact CG-CH2 4.39Å; R528-W657 HydrophobicContact CG-CZ2 4.4Å; R528-R660 PolarHBondContact N-O 2.85Å; R528-T661 HydrophobicContact CB-CG2 4.19Å; R528-T661 WeakPolarHBondContact O-CA 3.37Å; R528-T661 WeakPolarHBondContact O-CB 3.48Å; R528-V662 PolarHBondContact O-N 2.92Å; R528-V662 VanDerWaalsContact O-N 3.07Å
529	D	96.7	Very high	90.9	Very high	11 Å²	11	60 Å²	60	6%	0.059	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	107	-174.2	-165.3	0.1	0	0	0	110.8	V524 R527 R531 S536 S541 E542	V524-D529 HydrophobicContact CG1-CB 4.42Å; R527-D529 PolarHBondContact O-N 2.96Å; D529-R531 WeakPolarHBondContact OD1-CB 3.49Å; D529-R531 WeakPolarHBondContact OD1-CG 3.36Å; D529-R531 IonicContact OD1-CZ 3.02Å; D529-R531 PolarHBondContact OD1-N 3.17Å; D529-R531 IonicContact OD1-NE 3.25Å; D529-R531 PolarHBondContact OD1-NE 2.96Å; D529-R531 IonicContact OD1-NH2 2.81Å; D529-R531 PolarHBondContact OD1-NH2 2.79Å; D529-R531 IonicContact OD2-CZ 3.21Å; D529-R531 IonicContact OD2-NE 2.68Å; D529-R531 IonicContact OD2-NH2 2.73Å; D529-R531 PolarHBondContact OD2-NH2 2.79Å; D529-S536 WeakPolarHBondContact OD2-CB 3.43Å; D529-S536 PolarHBondContact OD2-OG 3.43Å; D529-S541 PolarHBondContact O-OG 2.7Å; D529-S541 PolarHBondContact OD1-OG 2.75Å; D529-S541 PolarHBondContact OD2-OG 2.89Å; D529-E542 PolarHBondContact O-N 3.43Å; D529-E542 VanDerWaalsContact O-N 3.13Å
530	L	97.9	Very high	91	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	36%	0.357	C	S	.	.			trans	-95.4	-1.5	-176.2	-53.8	-171.4	0	0	0	112.8	R528 E542 I544 I546 H585 T661 V662 I663	R528-L530 HydrophobicContact CG-CD2 3.81Å; L530-E542 HydrophobicContact CD2-CB 4.47Å; L530-I544 HydrophobicContact CB-CB 4.4Å; L530-I544 HydrophobicContact CB-CD1 4.29Å; L530-I544 HydrophobicContact CB-CG1 4.41Å; L530-I544 HydrophobicContact CD1-CD1 4.35Å; L530-I544 HydrophobicContact CD2-CD1 3.82Å; L530-I544 HydrophobicContact CG-CD1 4.37Å; L530-I544 PolarHBondContact O-N 3.26Å; L530-I546 HydrophobicContact CB-CD1 3.88Å; L530-I546 HydrophobicContact CD1-CD1 4.17Å; L530-H585 WeakPolarHBondContact CD1-CE1 3.31Å; L530-T661 HydrophobicContact CD1-CG2 3.78Å; L530-T661 HydrophobicContact CG-CG2 4.04Å; L530-V662 PolarHBondContact N-O 3.26Å; L530-I663 HydrophobicContact CB-CG2 4.36Å; L530-I663 HydrophobicContact CD1-CG2 4.15Å
531	R	96.5	Very high	91.2	Very high	16 Å²	16	62.1 Å²	62.1	6%	0.06	34%	0.339	C	S	.	.	S	Bend	trans	-67.9	166.7	-178.9	-61.5	177.9	-69.9	166.4	6.7	110.9	D529 S536 S541 D543 D636 H664	D529-R531 WeakPolarHBondContact OD1-CB 3.49Å; D529-R531 WeakPolarHBondContact OD1-CG 3.36Å; D529-R531 IonicContact OD1-CZ 3.02Å; D529-R531 PolarHBondContact OD1-N 3.17Å; D529-R531 IonicContact OD1-NE 3.25Å; D529-R531 PolarHBondContact OD1-NE 2.96Å; D529-R531 IonicContact OD1-NH2 2.81Å; D529-R531 PolarHBondContact OD1-NH2 2.79Å; D529-R531 IonicContact OD2-CZ 3.21Å; D529-R531 IonicContact OD2-NE 2.68Å; D529-R531 IonicContact OD2-NH2 2.73Å; D529-R531 PolarHBondContact OD2-NH2 2.79Å; R531-S536 PolarHBondContact NH2-OG 3.04Å; R531-S541 WeakPolarHBondContact O-CB 3.33Å; R531-S541 PolarHBondContact O-OG 2.73Å; R531-D543 PolarHBondContact O-N 2.75Å; R531-D636 IonicContact CZ-OD2 3.28Å; R531-D636 IonicContact NH1-OD2 3.07Å; R531-D636 PolarHBondContact NH1-OD2 3.12Å; R531-H664 HydrophobicContact CB-CB 4.44Å; R531-H664 HydrophobicContact CG-CB 3.87Å
532	S	93.6	Very high	91.3	Very high	13 Å²	13	59.2 Å²	59.2	9%	0.091	32%	0.322	C	S	.	.			trans	-68.7	145.8	168.3	74.6	0	0	0	0	110.7	T534 I535 S536 D543	S532-T534 PolarHBondContact O-N 2.86Å; S532-T534 PolarHBondContact OG-OG1 2.96Å; S532-I535 PolarHBondContact O-N 3.42Å; S532-I535 WeakPolarHBondContact OG-CB 3.29Å; S532-I535 WeakPolarHBondContact OG-CD1 3.45Å; S532-I535 WeakPolarHBondContact OG-CG1 3.47Å; S532-I535 PolarHBondContact OG-N 2.84Å; S532-I535 VanDerWaalsContact OG-N 3.12Å; S532-S536 WeakPolarHBondContact O-CB 3.37Å; S532-S536 PolarHBondContact O-N 3.07Å; S532-D543 WeakPolarHBondContact CA-OD1 3.42Å; S532-D543 WeakPolarHBondContact CB-OD1 3.31Å
533	P	93.5	Very high	91.6	Very high	48 Å²	48	58.7 Å²	58.7	31%	0.312	32%	0.323	S	S	.	.	H	α-helix	trans	-55.2	-31.5	172.2	-29.3	35.1	0	0	0	113.3	G537 N538	P533-G537 WeakPolarHBondContact O-CA 3.47Å; P533-G537 PolarHBondContact O-N 2.96Å; P533-N538 WeakPolarHBondContact CA-O 3.3Å
534	T	90.4	Very high	92	Very high	132 Å²	132	58.6 Å²	58.6	81%	0.81	32%	0.322	S	S	*	.	H	α-helix	trans	-68.3	-32.9	177.6	52.4	0	0	0	0	113.1	S532	S532-T534 PolarHBondContact O-N 2.86Å; S532-T534 PolarHBondContact OG-OG1 2.96Å
535	I	90.6	Very high	92.3	Very high	77 Å²	77	58.6 Å²	58.6	40%	0.395	32%	0.322	S	S	.	.	H	α-helix	trans	-88.2	-45.7	178.3	-66.7	168.2	0	0	0	110.5	S532 G537	S532-I535 PolarHBondContact O-N 3.42Å; S532-I535 WeakPolarHBondContact OG-CB 3.29Å; S532-I535 WeakPolarHBondContact OG-CD1 3.45Å; S532-I535 WeakPolarHBondContact OG-CG1 3.47Å; S532-I535 PolarHBondContact OG-N 2.84Å; S532-I535 VanDerWaalsContact OG-N 3.12Å; I535-G537 PolarHBondContact O-N 2.89Å
536	S	89.8	Confident	92.7	Very high	22 Å²	22	51.3 Å²	51.3	15%	0.154	29%	0.29	C	S	.	.	H	α-helix	trans	-67.3	-35.8	-178.2	174.9	0	0	0	0	112.6	D529 R531 S532 N538	D529-S536 WeakPolarHBondContact OD2-CB 3.43Å; D529-S536 PolarHBondContact OD2-OG 3.43Å; R531-S536 PolarHBondContact NH2-OG 3.04Å; S532-S536 WeakPolarHBondContact O-CB 3.37Å; S532-S536 PolarHBondContact O-N 3.07Å; S536-N538 PolarHBondContact O-N 2.88Å; S536-N538 WeakPolarHBondContact OG-CB 3.15Å; S536-N538 PolarHBondContact OG-N 3.37Å
537	G	87.9	Confident	93.1	Very high	64 Å²	64	45 Å²	45	66%	0.66	26%	0.263	S	S	*	.			trans	73.5	-6.4	-165.6	0	0	0	0	0	113.5	P533 I535	P533-G537 WeakPolarHBondContact O-CA 3.47Å; P533-G537 PolarHBondContact O-N 2.96Å; I535-G537 PolarHBondContact O-N 2.89Å
538	N	87.2	Confident	93.3	Very high	53 Å²	53	44.3 Å²	44.3	28%	0.283	26%	0.26	S	S	.	.			trans	-86.7	117.1	171.3	-176.5	8.9	0	0	0	110.2	P533 S536 D540 S541	P533-N538 WeakPolarHBondContact CA-O 3.3Å; S536-N538 PolarHBondContact O-N 2.88Å; S536-N538 WeakPolarHBondContact OG-CB 3.15Å; S536-N538 PolarHBondContact OG-N 3.37Å; N538-D540 PolarHBondContact O-N 3.4Å; N538-D540 WeakPolarHBondContact OD1-CB 3.45Å; N538-D540 PolarHBondContact OD1-N 2.95Å; N538-S541 VanDerWaalsContact O-CB 3.29Å; N538-S541 WeakPolarHBondContact O-CB 3.36Å; N538-S541 PolarHBondContact O-N 3.37Å
539	P	87.5	Confident	93.4	Very high	109 Å²	109	41.5 Å²	41.5	71%	0.708	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-20.3	176	27.3	-35	0	0	0	113.5	S541	P539-S541 VanDerWaalsContact C-N 3.31Å
540	D	87.5	Confident	93.3	Very high	140 Å²	140	41.4 Å²	41.4	75%	0.749	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.3	4.3	179	-58.5	-37.7	0	0	0	113.4	N538	N538-D540 PolarHBondContact O-N 3.4Å; N538-D540 WeakPolarHBondContact OD1-CB 3.45Å; N538-D540 PolarHBondContact OD1-N 2.95Å
541	S	91.8	Very high	93	Very high	9 Å²	9	44.3 Å²	44.3	6%	0.063	27%	0.268	C	S	.	.			trans	-72.9	146.5	179.5	-158.7	0	0	0	0	112.2	D529 R531 N538 P539 D543	D529-S541 PolarHBondContact O-OG 2.7Å; D529-S541 PolarHBondContact OD1-OG 2.75Å; D529-S541 PolarHBondContact OD2-OG 2.89Å; R531-S541 WeakPolarHBondContact O-CB 3.33Å; R531-S541 PolarHBondContact O-OG 2.73Å; N538-S541 VanDerWaalsContact O-CB 3.29Å; N538-S541 WeakPolarHBondContact O-CB 3.36Å; N538-S541 PolarHBondContact O-N 3.37Å; P539-S541 VanDerWaalsContact C-N 3.31Å; S541-D543 PolarHBondContact O-N 3.38Å
542	E	90.5	Very high	92.4	Very high	66 Å²	66	47.3 Å²	47.3	31%	0.308	29%	0.289	S	S	.	.			trans	-83.9	-7.2	-164	-69.9	176.4	-124.2	0	0	116.9	R528 D529 L530 I544	R528-E542 WeakPolarHBondContact CD-OE1 3.49Å; R528-E542 WeakPolarHBondContact CG-OE1 3.3Å; R528-E542 IonicContact CZ-OE1 3.23Å; R528-E542 IonicContact CZ-OE2 2.72Å; R528-E542 IonicContact NE-OE1 2.9Å; R528-E542 PolarHBondContact NE-OE1 2.82Å; R528-E542 IonicContact NE-OE2 3.36Å; R528-E542 PolarHBondContact NE-OE2 3.18Å; R528-E542 IonicContact NH2-OE1 2.71Å; R528-E542 PolarHBondContact NH2-OE1 2.88Å; R528-E542 IonicContact NH2-OE2 3.16Å; R528-E542 PolarHBondContact NH2-OE2 3.08Å; D529-E542 PolarHBondContact O-N 3.43Å; D529-E542 VanDerWaalsContact O-N 3.13Å; L530-E542 HydrophobicContact CD2-CB 4.47Å; E542-I544 HydrophobicContact CB-CD1 4.21Å; E542-I544 HydrophobicContact CB-CG1 3.92Å; E542-I544 PolarHBondContact O-N 2.76Å
543	D	93.9	Very high	92	Very high	85 Å²	85	49.9 Å²	49.9	46%	0.455	32%	0.318	S	S	.	.			trans	54.8	46	178.2	-159.9	26.1	0	0	0	115.5	R531 S532 S541	R531-D543 PolarHBondContact O-N 2.75Å; S532-D543 WeakPolarHBondContact CA-OD1 3.42Å; S532-D543 WeakPolarHBondContact CB-OD1 3.31Å; S541-D543 PolarHBondContact O-N 3.38Å
544	I	96.3	Very high	91.8	Very high	7 Å²	7	48.4 Å²	48.4	4%	0.036	31%	0.309	C	S	.	.			trans	-87.1	129.5	-178.4	-53.4	-168.1	0	0	0	110.5	L530 E542 I546 S562	L530-I544 HydrophobicContact CB-CB 4.4Å; L530-I544 HydrophobicContact CB-CD1 4.29Å; L530-I544 HydrophobicContact CB-CG1 4.41Å; L530-I544 HydrophobicContact CD1-CD1 4.35Å; L530-I544 HydrophobicContact CD2-CD1 3.82Å; L530-I544 HydrophobicContact CG-CD1 4.37Å; L530-I544 PolarHBondContact O-N 3.26Å; E542-I544 HydrophobicContact CB-CD1 4.21Å; E542-I544 HydrophobicContact CB-CG1 3.92Å; E542-I544 PolarHBondContact O-N 2.76Å; I544-I546 HydrophobicContact CB-CD1 4.48Å; I544-I546 HydrophobicContact CB-CG1 4.33Å; I544-I546 HydrophobicContact CG2-CD1 4.47Å; I544-I546 HydrophobicContact CG2-CG1 3.93Å; I544-I546 PolarHBondContact O-N 2.76Å; I544-S562 VanDerWaalsContact CG2-CB 3.41Å
545	L	96.7	Very high	91.7	Very high	16 Å²	16	47 Å²	47	8%	0.084	29%	0.293	C	S	.	.			trans	-73.1	112.1	168.9	174	61.1	0	0	0	109.6	F547 S562 Y667 K727	L545-F547 HydrophobicContact CG-CD1 4.18Å; L545-S562 WeakPolarHBondContact O-CB 3.44Å; L545-Y667 HydrophobicContact CD1-CD2 4.13Å; L545-Y667 HydrophobicContact CD1-CE2 3.81Å; L545-K727 HydrophobicContact CD2-CB 4.43Å; L545-K727 HydrophobicContact CD2-CD 3.96Å; L545-K727 HydrophobicContact CD2-CG 3.78Å
546	I	98.5	Very high	91.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	137.3	179.3	-61.5	169	0	0	0	108.8	L530 I544 A560 L561 I663 S666	L530-I546 HydrophobicContact CB-CD1 3.88Å; L530-I546 HydrophobicContact CD1-CD1 4.17Å; I544-I546 HydrophobicContact CB-CD1 4.48Å; I544-I546 HydrophobicContact CB-CG1 4.33Å; I544-I546 HydrophobicContact CG2-CD1 4.47Å; I544-I546 HydrophobicContact CG2-CG1 3.93Å; I544-I546 PolarHBondContact O-N 2.76Å; I546-A560 HydrophobicContact CG2-CB 3.57Å; I546-L561 WeakPolarHBondContact CA-O 3.25Å; I546-I663 HydrophobicContact CD1-CB 3.67Å; I546-I663 HydrophobicContact CD1-CG2 3.59Å; I546-I663 HydrophobicContact CG2-CD1 4.18Å; I546-S666 WeakPolarHBondContact O-CB 3.21Å; I546-S666 PolarHBondContact O-N 3.03Å
547	F	98.3	Very high	92.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	159.7	175.6	57.8	-84.8	0	0	0	111.4	L545 I549 A560 L561 Y667 L669 L728 I732 L735	L545-F547 HydrophobicContact CG-CD1 4.18Å; F547-I549 HydrophobicContact CD2-CG1 4.23Å; F547-I549 HydrophobicContact CE2-CD1 4.11Å; F547-I549 HydrophobicContact CE2-CG1 4.18Å; F547-A560 WeakPolarHBondContact O-CA 3.32Å; F547-L561 PolarHBondContact N-O 2.87Å; F547-L561 VanDerWaalsContact N-O 3.1Å; F547-L561 PolarHBondContact O-N 2.89Å; F547-Y667 VanDerWaalsContact CA-O 3.29Å; F547-Y667 WeakPolarHBondContact CA-O 3.38Å; F547-Y667 HydrophobicContact CB-CD2 4.27Å; F547-Y667 VanDerWaalsContact CB-O 3.25Å; F547-Y667 WeakPolarHBondContact CB-O 3.26Å; F547-L669 HydrophobicContact CD2-CD1 4.01Å; F547-L669 HydrophobicContact CE2-CD1 4.28Å; F547-L728 HydrophobicContact CD1-CD1 3.85Å; F547-L728 HydrophobicContact CD2-CD1 4.11Å; F547-L728 HydrophobicContact CE1-CD1 3.83Å; F547-L728 HydrophobicContact CE2-CD1 4.08Å; F547-L728 HydrophobicContact CG-CD1 3.99Å; F547-L728 HydrophobicContact CZ-CD1 3.94Å; F547-I732 HydrophobicContact CE2-CG1 3.98Å; F547-I732 HydrophobicContact CZ-CG1 3.91Å; F547-L735 HydrophobicContact CE1-CD1 4.48Å; F547-L735 HydrophobicContact CE2-CD1 4.2Å; F547-L735 HydrophobicContact CZ-CD1 3.65Å
548	S	98.1	Very high	92.6	Very high	0 Å²	0	40 Å²	40	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	155.6	176.4	80.1	0	0	0	0	112	D550 V557 D559 Y667 L669	S548-D550 WeakPolarHBondContact CB-OD2 3.43Å; S548-D550 PolarHBondContact OG-OD2 3.17Å; S548-V557 WeakPolarHBondContact OG-CG1 3.48Å; S548-D559 VanDerWaalsContact CB-O 3.27Å; S548-D559 WeakPolarHBondContact CB-O 3.12Å; S548-Y667 PolarHBondContact N-O 3.48Å; S548-L669 PolarHBondContact O-N 3.11Å
549	I	97.5	Very high	93.1	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.015	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	111.1	173.4	-56.1	174	0	0	0	108.2	F547 L669 Y671 A674 V788	F547-I549 HydrophobicContact CD2-CG1 4.23Å; F547-I549 HydrophobicContact CE2-CD1 4.11Å; F547-I549 HydrophobicContact CE2-CG1 4.18Å; I549-L669 CarbonylContact C-O 3.59Å; I549-L669 VanDerWaalsContact CA-O 3.31Å; I549-L669 WeakPolarHBondContact CA-O 3.49Å; I549-L669 HydrophobicContact CG1-CB 4.34Å; I549-Y671 HydrophobicContact CG2-CD1 3.56Å; I549-Y671 HydrophobicContact CG2-CE1 3.84Å; I549-Y671 HydrophobicContact CG2-CG 4.17Å; I549-A674 HydrophobicContact CD1-CB 3.99Å; I549-A674 HydrophobicContact CG1-CB 4.27Å; I549-A674 HydrophobicContact CG2-CB 3.96Å; I549-V788 HydrophobicContact CB-CG2 3.91Å; I549-V788 HydrophobicContact CD1-CG2 4.18Å; I549-V788 HydrophobicContact CG2-CG2 4.16Å
550	D	95.6	Very high	93.7	Very high	9 Å²	9	33 Å²	33	5%	0.048	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	166.5	-167.9	-66.4	-89.9	0	0	0	112.5	S548 C554 V557 L669 T670 Y671	S548-D550 WeakPolarHBondContact CB-OD2 3.43Å; S548-D550 PolarHBondContact OG-OD2 3.17Å; D550-C554 HydrophobicContact CB-CB 3.72Å; D550-V557 WeakPolarHBondContact OD2-CG1 3.36Å; D550-L669 PolarHBondContact N-O 3.44Å; D550-T670 VanDerWaalsContact O-CA 3.23Å; D550-T670 WeakPolarHBondContact O-CA 3.42Å; D550-Y671 PolarHBondContact O-N 2.92Å
551	P	90.4	Very high	94.2	Very high	62 Å²	62	26.3 Å²	26.3	40%	0.403	16%	0.16	S	C	.	.			trans	-61.4	155.8	165.9	-19.1	30.6	0	0	0	112.6	G553 C554 Y671	P551-G553 PolarHBondContact O-N 3.46Å; P551-C554 VanDerWaalsContact O-CB 3.24Å; P551-C554 WeakPolarHBondContact O-CB 3.25Å; P551-C554 PolarHBondContact O-N 2.94Å; P551-C554 VanDerWaalsContact O-N 3.16Å; P551-Y671 HydrophobicContact CG-CD2 4.44Å; P551-Y671 HydrophobicContact CG-CE2 3.86Å
552	P	85.6	Confident	94.5	Very high	78 Å²	78	25.9 Å²	25.9	51%	0.506	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	133.8	173.9	24.9	-34.3	0	0	0	111.7	C554 T670	P552-C554 VanDerWaalsContact C-N 3.26Å; P552-C554 PolarHBondContact O-N 2.85Å; P552-T670 HydrophobicContact CB-CG2 4.36Å
553	G	83.7	Confident	94.9	Very high	67 Å²	67	23.1 Å²	23.1	69%	0.691	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.1	9.5	-179.3	0	0	0	0	0	115.2	P551 Q555	P551-G553 PolarHBondContact O-N 3.46Å; G553-Q555 PolarHBondContact O-N 2.92Å
554	C	89	Confident	94.9	Very high	18 Å²	18	21.6 Å²	21.6	12%	0.122	14%	0.135	C	C	.	.			trans	-55.8	129.9	173.9	-175.6	0	0	0	0	110.4	D550 P551 P552 K668	D550-C554 HydrophobicContact CB-CB 3.72Å; P551-C554 VanDerWaalsContact O-CB 3.24Å; P551-C554 WeakPolarHBondContact O-CB 3.25Å; P551-C554 PolarHBondContact O-N 2.94Å; P551-C554 VanDerWaalsContact O-N 3.16Å; P552-C554 VanDerWaalsContact C-N 3.26Å; P552-C554 PolarHBondContact O-N 2.85Å; C554-K668 PolarHBondContact O-NZ 3.32Å
555	Q	89.2	Confident	94.9	Very high	101 Å²	101	27.6 Å²	27.6	47%	0.472	16%	0.157	S	C	.	.			trans	-110	-28.5	178.4	-66.7	-179.3	1.8	0	0	112.2	G553 V557 S630	G553-Q555 PolarHBondContact O-N 2.92Å; Q555-V557 PolarHBondContact O-N 3.05Å; Q555-S630 VanDerWaalsContact O-CB 3.27Å; Q555-S630 WeakPolarHBondContact O-CB 2.99Å; Q555-S630 PolarHBondContact O-OG 3.1Å
556	D	92.3	Very high	94.7	Very high	12 Å²	12	28.3 Å²	28.3	6%	0.064	16%	0.161	C	C	.	.			trans	-92.4	68.6	177.9	46.5	-35.4	0	0	0	109.7	D558 Y611 R616 S625 I908	D556-D558 PolarHBondContact O-N 3.36Å; D556-Y611 PolarHBondContact OD2-OH 3.2Å; D556-R616 IonicContact OD1-CZ 3.34Å; D556-R616 IonicContact OD1-NH1 3.18Å; D556-R616 PolarHBondContact OD1-NH1 3.2Å; D556-R616 IonicContact OD1-NH2 3.58Å; D556-R616 IonicContact OD2-NH1 2.63Å; D556-S625 WeakPolarHBondContact CA-O 3.13Å; D556-I908 HydrophobicContact CB-CB 4.31Å; D556-I908 HydrophobicContact CB-CD1 4.4Å; D556-I908 HydrophobicContact CB-CG2 3.64Å
557	V	97.1	Very high	94.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.191	C	C	.	.			trans	-74.8	94	178.3	-174.3	0	0	0	0	108.3	S548 D550 Q555 S630 L631 K668	S548-V557 WeakPolarHBondContact OG-CG1 3.48Å; D550-V557 WeakPolarHBondContact OD2-CG1 3.36Å; Q555-V557 PolarHBondContact O-N 3.05Å; V557-S630 PolarHBondContact N-OG 3.38Å; V557-S630 VanDerWaalsContact N-OG 3.14Å; V557-L631 HydrophobicContact CB-CB 4.36Å; V557-L631 HydrophobicContact CG1-CB 3.92Å; V557-L631 PolarHBondContact O-N 3.35Å; V557-K668 HydrophobicContact CG2-CD 4.11Å
558	D	98.1	Very high	93.8	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.021	21%	0.213	C	C	.	.			trans	-74.5	-39.7	-176.6	-80.4	-66.5	0	0	0	112.7	D556 I586 A587 S906 P907 I908 R909	D556-D558 PolarHBondContact O-N 3.36Å; D558-I586 CarbonylContact O-C 3.56Å; D558-I586 WeakPolarHBondContact O-CA 3.3Å; D558-A587 PolarHBondContact O-N 2.87Å; D558-S906 VanDerWaalsContact OD1-CA 3.23Å; D558-S906 WeakPolarHBondContact OD1-CA 3.26Å; D558-S906 VanDerWaalsContact OD2-CB 3.26Å; D558-S906 WeakPolarHBondContact OD2-CB 3.4Å; D558-P907 WeakPolarHBondContact OD1-CD 3.39Å; D558-I908 WeakPolarHBondContact OD1-CB 3.33Å; D558-I908 VanDerWaalsContact OD1-CG1 3.27Å; D558-I908 WeakPolarHBondContact OD1-CG1 3.47Å; D558-I908 PolarHBondContact OD1-N 2.83Å; D558-R909 WeakPolarHBondContact OD2-CD 3.39Å; D558-R909 IonicContact OD2-NE 3.67Å; D558-R909 PolarHBondContact OD2-NE 3.07Å
559	D	98.3	Very high	93.1	Very high	15 Å²	15	40.4 Å²	40.4	8%	0.08	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	152.5	-167.3	64.6	-86.6	0	0	0	113.7	S548 H585 I586 M792	S548-D559 VanDerWaalsContact CB-O 3.27Å; S548-D559 WeakPolarHBondContact CB-O 3.12Å; D559-H585 CarbonylContact C-O 3.57Å; D559-H585 WeakPolarHBondContact CA-O 3.46Å; D559-I586 HydrophobicContact CB-CD1 3.42Å; D559-I586 VanDerWaalsContact CB-CD1 3.42Å; D559-M792 HydrophobicContact CB-CE 4.01Å; D559-M792 HydrophobicContact CB-SD 3.93Å; D559-M792 WeakPolarHBondContact OD2-CE 3.01Å
560	A	98.6	Very high	92.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	154.2	171.6	0	0	0	0	0	110	I546 F547 H585 L631 I663	I546-A560 HydrophobicContact CG2-CB 3.57Å; F547-A560 WeakPolarHBondContact O-CA 3.32Å; A560-H585 HydrophobicContact CB-CB 4.41Å; A560-H585 PolarHBondContact N-O 3.44Å; A560-H585 PolarHBondContact O-CD2 3.31Å; A560-H585 PolarHBondContact O-N 3.38Å; A560-L631 HydrophobicContact CB-CD1 3.99Å; A560-I663 HydrophobicContact CB-CD1 4.42Å
561	L	98.7	Very high	91.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	149.1	-172.9	-59.4	174.3	0	0	0	110.5	I546 F547 G583 V584 L735 V788 L791 M792	I546-L561 WeakPolarHBondContact CA-O 3.25Å; F547-L561 PolarHBondContact N-O 2.87Å; F547-L561 VanDerWaalsContact N-O 3.1Å; F547-L561 PolarHBondContact O-N 2.89Å; L561-G583 WeakPolarHBondContact CA-O 3.37Å; L561-V584 HydrophobicContact CD2-CG2 3.89Å; L561-L735 HydrophobicContact CB-CD1 4.04Å; L561-L735 HydrophobicContact CB-CD2 4.43Å; L561-L735 HydrophobicContact CD1-CD1 4.09Å; L561-V788 HydrophobicContact CD1-CG2 4.35Å; L561-L791 HydrophobicContact CD1-CD1 3.85Å; L561-L791 HydrophobicContact CD2-CB 4.33Å; L561-L791 HydrophobicContact CD2-CD1 4.03Å; L561-M792 HydrophobicContact CD2-CE 3.6Å
562	S	98.5	Very high	91.4	Very high	1 Å²	1	52 Å²	52	1%	0.007	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	153.4	165.7	61.4	0	0	0	0	111.7	I544 L545 G583 H585	I544-S562 VanDerWaalsContact CG2-CB 3.41Å; L545-S562 WeakPolarHBondContact O-CB 3.44Å; S562-G583 PolarHBondContact N-O 2.81Å; S562-G583 PolarHBondContact O-N 3.01Å; S562-G583 WeakPolarHBondContact OG-CA 3.34Å; S562-H585 WeakPolarHBondContact CB-NE2 3.17Å; S562-H585 PolarHBondContact OG-NE2 2.97Å
563	V	98	Very high	91.3	Very high	7 Å²	7	58.1 Å²	58.1	4%	0.042	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	134.7	172.5	65.2	0	0	0	0	109.8	L580 Q581 S731 L734 L735 I738	V563-L580 HydrophobicContact CG2-CD1 3.92Å; V563-L580 HydrophobicContact CG2-CD2 3.59Å; V563-L580 HydrophobicContact CG2-CG 3.77Å; V563-Q581 VanDerWaalsContact CA-O 3.31Å; V563-Q581 WeakPolarHBondContact CA-O 3.45Å; V563-S731 WeakPolarHBondContact CG1-O 3.44Å; V563-L734 HydrophobicContact CG1-CB 3.91Å; V563-L734 HydrophobicContact CG1-CD1 4.35Å; V563-L734 HydrophobicContact CG2-CB 3.97Å; V563-L734 HydrophobicContact CG2-CD1 4.35Å; V563-L735 HydrophobicContact CB-CD2 3.92Å; V563-L735 HydrophobicContact CB-CG 4.31Å; V563-L735 HydrophobicContact CG1-CD2 4.05Å; V563-L735 HydrophobicContact CG1-CG 3.88Å; V563-I738 HydrophobicContact CG2-CD1 3.85Å
564	Q	95.3	Very high	91.3	Very high	53 Å²	53	57.4 Å²	57.4	25%	0.248	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	149.8	177.1	63.1	177	2.9	0	0	112.8	L580 Q581	Q564-L580 VanDerWaalsContact O-CD1 3.31Å; Q564-L580 WeakPolarHBondContact O-CD1 3.21Å; Q564-Q581 HydrophobicContact CG-CB 3.99Å; Q564-Q581 PolarHBondContact N-O 2.99Å; Q564-Q581 PolarHBondContact O-N 3.18Å
565	W	94.9	Very high	91	Very high	133 Å²	133	62 Å²	62	50%	0.504	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	133.6	172	-69.1	104.6	0	0	0	110.8	K578 L580 M648 L734	W565-K578 HydrophobicContact CZ3-CB 4.01Å; W565-L580 HydrophobicContact CD2-CD1 3.55Å; W565-L580 HydrophobicContact CE3-CB 4.41Å; W565-L580 HydrophobicContact CE3-CD1 3.65Å; W565-L580 HydrophobicContact CG-CD1 3.99Å; W565-L580 HydrophobicContact CH2-CD1 4.26Å; W565-L580 HydrophobicContact CZ2-CD1 4.19Å; W565-L580 HydrophobicContact CZ3-CB 4.35Å; W565-L580 HydrophobicContact CZ3-CD1 3.99Å; W565-M648 HydrophobicContact CH2-CG 4.01Å; W565-M648 HydrophobicContact CZ3-CB 4.38Å; W565-M648 HydrophobicContact CZ3-CG 3.75Å; W565-L734 HydrophobicContact CZ2-CD2 3.66Å
566	L	93.8	Very high	90.8	Very high	31 Å²	31	63.3 Å²	63.3	16%	0.162	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	159.2	172	-64.7	178.5	0	0	0	110.2	R579 Q581 E645	L566-R579 HydrophobicContact CB-CB 3.95Å; L566-R579 PolarHBondContact N-O 2.91Å; L566-Q581 HydrophobicContact CD1-CB 3.96Å; L566-Q581 HydrophobicContact CD2-CB 4.07Å; L566-Q581 HydrophobicContact CG-CB 3.93Å; L566-E645 HydrophobicContact CD1-CB 4.5Å; L566-E645 HydrophobicContact CD1-CG 3.94Å
567	P	90.9	Very high	90.5	Very high	97 Å²	97	64.5 Å²	64.5	63%	0.63	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.4	133.6	170.3	-25.8	34.9	0	0	0	111.5	R579	P567-R579 PolarHBondContact O-NH1 3.02Å
568	P	86.7	Confident	90.1	Very high	72 Å²	72	70.5 Å²	70.5	47%	0.468	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	150.7	-179.7	28.2	-34.4	0	0	0	110.7	H577	P568-H577 WeakPolarHBondContact CA-O 3.41Å; P568-H577 WeakPolarHBondContact CB-O 3.47Å
569	I	83.6	Confident	89.9	Confident	86 Å²	86	72.1 Å²	72.1	44%	0.441	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	134.6	172	-67.8	178.4	0	0	0	108.2	H577 R579	I569-H577 PolarHBondContact N-O 3.08Å; I569-H577 PolarHBondContact O-N 3.12Å; I569-R579 VanDerWaalsContact CD1-CD 3.49Å; I569-R579 VanDerWaalsContact CD1-CZ 3.45Å
570	V	84.2	Confident	89.8	Confident	80 Å²	80	71.4 Å²	71.4	49%	0.485	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	125.3	172.3	-172.8	0	0	0	0	108.2	G574 K575 E576	V570-G574 VanDerWaalsContact CG1-CA 3.48Å; V570-K575 WeakPolarHBondContact CA-O 3.49Å; V570-E576 HydrophobicContact CG2-CG 3.73Å
571	D	80.6	Confident	89.7	Confident	47 Å²	47	71.8 Å²	71.8	25%	0.251	36%	0.356	S	S	.	.			trans	-75.6	174.8	173.9	69.3	17.7	0	0	0	112.7	Y573 G574 K575 H577	D571-Y573 PolarHBondContact O-N 2.98Å; D571-Y573 WeakPolarHBondContact OD1-CA 3.48Å; D571-Y573 WeakPolarHBondContact OD1-CB 3.39Å; D571-Y573 PolarHBondContact OD1-N 3.2Å; D571-G574 PolarHBondContact O-N 3.4Å; D571-G574 PolarHBondContact OD1-N 2.85Å; D571-G574 VanDerWaalsContact OD1-N 3.09Å; D571-K575 PolarHBondContact N-O 3.21Å; D571-K575 WeakPolarHBondContact OD1-CB 3.46Å; D571-K575 PolarHBondContact OD1-N 3.45Å; D571-K575 WeakPolarHBondContact OD2-CB 3.18Å; D571-H577 IonicContact OD2-CD2 3.31Å; D571-H577 IonicContact OD2-CE1 2.8Å; D571-H577 IonicContact OD2-NE2 3.64Å; D571-H577 PolarHBondContact OD2-NE2 3.05Å
572	E	83.3	Confident	89.7	Confident	189 Å²	189	71.8 Å²	71.8	88%	0.883	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-19.1	179.2	-62.7	-174.3	174.7	0	0	113.5
573	Y	83	Confident	89.7	Confident	207 Å²	207	71.8 Å²	71.8	81%	0.812	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	2.9	178.5	-55.4	-71.7	0	0	0	113	D571 K575	D571-Y573 PolarHBondContact O-N 2.98Å; D571-Y573 WeakPolarHBondContact OD1-CA 3.48Å; D571-Y573 WeakPolarHBondContact OD1-CB 3.39Å; D571-Y573 PolarHBondContact OD1-N 3.2Å; Y573-K575 VanDerWaalsContact C-N 3.35Å
574	G	82.5	Confident	89.8	Confident	53 Å²	53	71.4 Å²	71.4	55%	0.546	35%	0.354	S	S	.	.	S	Bend	trans	80.9	10.9	-179.7	0	0	0	0	0	114.2	V570 D571	V570-G574 VanDerWaalsContact CG1-CA 3.48Å; D571-G574 PolarHBondContact O-N 3.4Å; D571-G574 PolarHBondContact OD1-N 2.85Å; D571-G574 VanDerWaalsContact OD1-N 3.09Å
575	K	83.2	Confident	89.9	Confident	113 Å²	113	68.9 Å²	68.9	49%	0.491	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-84.9	126.3	176.8	-173.6	-174.1	174.1	-164.2	0	109.7	V570 D571 Y573 H577	V570-K575 WeakPolarHBondContact CA-O 3.49Å; D571-K575 PolarHBondContact N-O 3.21Å; D571-K575 WeakPolarHBondContact OD1-CB 3.46Å; D571-K575 PolarHBondContact OD1-N 3.45Å; D571-K575 WeakPolarHBondContact OD2-CB 3.18Å; Y573-K575 VanDerWaalsContact C-N 3.35Å; K575-H577 PolarHBondContact O-CD2 3.4Å; K575-H577 VanDerWaalsContact O-CD2 3.22Å
576	E	85.2	Confident	90.1	Very high	130 Å²	130	62.6 Å²	62.6	61%	0.607	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.5	124.4	171.6	-78.2	179	-177.6	0	0	110.4	V570	V570-E576 HydrophobicContact CG2-CG 3.73Å
577	H	85.7	Confident	90.4	Very high	36 Å²	36	61.1 Å²	61.1	17%	0.167	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	128.7	175	-63.6	-101	0	0	0	110	P568 I569 D571 K575 R579 D647 D649	P568-H577 WeakPolarHBondContact CA-O 3.41Å; P568-H577 WeakPolarHBondContact CB-O 3.47Å; I569-H577 PolarHBondContact N-O 3.08Å; I569-H577 PolarHBondContact O-N 3.12Å; D571-H577 IonicContact OD2-CD2 3.31Å; D571-H577 IonicContact OD2-CE1 2.8Å; D571-H577 IonicContact OD2-NE2 3.64Å; D571-H577 PolarHBondContact OD2-NE2 3.05Å; K575-H577 PolarHBondContact O-CD2 3.4Å; K575-H577 VanDerWaalsContact O-CD2 3.22Å; H577-R579 PolarHBondContact O-N 3.38Å; H577-D647 IonicContact ND1-OD2 3.81Å; H577-D649 WeakPolarHBondContact CA-OD2 3.5Å
578	K	90.2	Very high	90.7	Very high	127 Å²	127	56.5 Å²	56.5	55%	0.552	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	123.6	178.6	-69.1	-179.3	-177.3	174.5	0	110	W565 M648 D649	W565-K578 HydrophobicContact CZ3-CB 4.01Å; K578-M648 HydrophobicContact CB-CB 4.2Å; K578-M648 PolarHBondContact O-N 3.02Å; K578-D649 PolarHBondContact N-OD2 3.03Å
579	R	93	Very high	91.1	Very high	38 Å²	38	53 Å²	53	14%	0.143	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	137.6	-178.2	-71.3	172	66	-138.4	7.5	111.8	L566 P567 I569 H577 E645 I646	L566-R579 HydrophobicContact CB-CB 3.95Å; L566-R579 PolarHBondContact N-O 2.91Å; P567-R579 PolarHBondContact O-NH1 3.02Å; I569-R579 VanDerWaalsContact CD1-CD 3.49Å; I569-R579 VanDerWaalsContact CD1-CZ 3.45Å; H577-R579 PolarHBondContact O-N 3.38Å; R579-E645 IonicContact CZ-OE2 2.81Å; R579-E645 IonicContact NH2-OE1 3.64Å; R579-E645 IonicContact NH2-OE2 3.72Å; R579-E645 PolarHBondContact NH2-OE2 3.41Å; R579-I646 WeakPolarHBondContact CA-O 3.42Å
580	L	95.8	Very high	91.7	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	137.5	178.5	-163.8	76.5	0	0	0	109.5	V563 Q564 W565 E645 I646 M648 L734 I738	V563-L580 HydrophobicContact CG2-CD1 3.92Å; V563-L580 HydrophobicContact CG2-CD2 3.59Å; V563-L580 HydrophobicContact CG2-CG 3.77Å; Q564-L580 VanDerWaalsContact O-CD1 3.31Å; Q564-L580 WeakPolarHBondContact O-CD1 3.21Å; W565-L580 HydrophobicContact CD2-CD1 3.55Å; W565-L580 HydrophobicContact CE3-CB 4.41Å; W565-L580 HydrophobicContact CE3-CD1 3.65Å; W565-L580 HydrophobicContact CG-CD1 3.99Å; W565-L580 HydrophobicContact CH2-CD1 4.26Å; W565-L580 HydrophobicContact CZ2-CD1 4.19Å; W565-L580 HydrophobicContact CZ3-CB 4.35Å; W565-L580 HydrophobicContact CZ3-CD1 3.99Å; L580-E645 WeakPolarHBondContact O-CA 3.45Å; L580-I646 PolarHBondContact N-O 3.21Å; L580-I646 PolarHBondContact O-N 3.01Å; L580-M648 HydrophobicContact CB-CG 3.73Å; L580-M648 HydrophobicContact CB-SD 3.76Å; L580-M648 HydrophobicContact CD2-CE 4.1Å; L580-M648 HydrophobicContact CD2-CG 4.48Å; L580-M648 HydrophobicContact CD2-SD 3.7Å; L580-M648 HydrophobicContact CG-SD 4.39Å; L580-L734 HydrophobicContact CD1-CD1 4.35Å; L580-I738 HydrophobicContact CD2-CD1 3.32Å; L580-I738 HydrophobicContact CD2-CG1 3.92Å
581	Q	97.6	Very high	92.1	Very high	8 Å²	8	48.6 Å²	48.6	4%	0.037	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	122.7	168.3	-169.6	177.9	72.9	0	0	108.8	V563 Q564 L566 W644	V563-Q581 VanDerWaalsContact CA-O 3.31Å; V563-Q581 WeakPolarHBondContact CA-O 3.45Å; Q564-Q581 HydrophobicContact CG-CB 3.99Å; Q564-Q581 PolarHBondContact N-O 2.99Å; Q564-Q581 PolarHBondContact O-N 3.18Å; L566-Q581 HydrophobicContact CD1-CB 3.96Å; L566-Q581 HydrophobicContact CD2-CB 4.07Å; L566-Q581 HydrophobicContact CG-CB 3.93Å; Q581-W644 CarbonylContact C-O 3.6Å; Q581-W644 VanDerWaalsContact CA-O 3.29Å; Q581-W644 WeakPolarHBondContact CA-O 3.28Å
582	L	98.5	Very high	92.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	130.3	169.3	172.8	70.5	0	0	0	108.3	L643 W644 I646 L735 I738 L791 F794	L582-L643 CarbonylContact O-C 3.56Å; L582-L643 WeakPolarHBondContact O-CA 3.44Å; L582-W644 HydrophobicContact CB-CE3 4.38Å; L582-W644 HydrophobicContact CD2-CE3 3.93Å; L582-W644 HydrophobicContact CD2-CZ3 4.34Å; L582-W644 HydrophobicContact CG-CE3 4.06Å; L582-W644 HydrophobicContact CG-CZ3 4.48Å; L582-W644 PolarHBondContact N-O 2.97Å; L582-W644 PolarHBondContact O-N 3.23Å; L582-I646 HydrophobicContact CB-CD1 3.97Å; L582-I646 HydrophobicContact CD2-CD1 4.2Å; L582-L735 HydrophobicContact CD1-CD2 3.68Å; L582-I738 HydrophobicContact CD1-CD1 4.23Å; L582-I738 HydrophobicContact CD2-CG2 4.15Å; L582-L791 HydrophobicContact CD1-CD2 4.13Å; L582-L791 HydrophobicContact CD2-CD2 3.9Å; L582-F794 HydrophobicContact CD2-CD1 4.31Å; L582-F794 HydrophobicContact CD2-CE1 4.31Å
583	G	98.6	Very high	93	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	131.8	175.9	0	0	0	0	0	112.5	L561 S562	L561-G583 WeakPolarHBondContact CA-O 3.37Å; S562-G583 PolarHBondContact N-O 2.81Å; S562-G583 PolarHBondContact O-N 3.01Å; S562-G583 WeakPolarHBondContact OG-CA 3.34Å
584	V	98.9	Very high	93.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	120.9	164.9	173.1	0	0	0	0	107.5	L561 I586 S641 V642 W644 M792 A795	L561-V584 HydrophobicContact CD2-CG2 3.89Å; V584-I586 HydrophobicContact CG1-CD1 3.63Å; V584-I586 HydrophobicContact CG1-CG1 4.15Å; V584-S641 VanDerWaalsContact O-CA 3.28Å; V584-S641 WeakPolarHBondContact O-CA 3.3Å; V584-V642 PolarHBondContact N-O 2.9Å; V584-V642 PolarHBondContact O-N 3.26Å; V584-W644 HydrophobicContact CB-CH2 4.25Å; V584-W644 HydrophobicContact CB-CZ3 3.96Å; V584-W644 HydrophobicContact CG2-CH2 4.16Å; V584-W644 HydrophobicContact CG2-CZ3 3.74Å; V584-M792 HydrophobicContact CG1-CE 3.84Å; V584-M792 HydrophobicContact CG1-SD 4.18Å; V584-M792 HydrophobicContact CG2-CE 4.37Å; V584-A795 HydrophobicContact CB-CB 4.2Å; V584-A795 HydrophobicContact CG1-CB 3.9Å; V584-A795 HydrophobicContact CG2-CB 4.3Å
585	H	98.8	Very high	93.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	116.5	-173.8	-46.7	-72.8	0	0	0	109.2	L530 D559 A560 S562 A639 S641 I663	L530-H585 WeakPolarHBondContact CD1-CE1 3.31Å; D559-H585 CarbonylContact C-O 3.57Å; D559-H585 WeakPolarHBondContact CA-O 3.46Å; A560-H585 HydrophobicContact CB-CB 4.41Å; A560-H585 PolarHBondContact N-O 3.44Å; A560-H585 PolarHBondContact O-CD2 3.31Å; A560-H585 PolarHBondContact O-N 3.38Å; S562-H585 WeakPolarHBondContact CB-NE2 3.17Å; S562-H585 PolarHBondContact OG-NE2 2.97Å; H585-A639 HydrophobicContact CB-CB 4.16Å; H585-S641 WeakPolarHBondContact ND1-CB 3.36Å; H585-S641 PolarHBondContact ND1-OG 3.5Å; H585-I663 HydrophobicContact CB-CD1 4.05Å; H585-I663 HydrophobicContact CB-CG2 4.49Å
586	I	98.8	Very high	93.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	139.2	-175.7	-51.7	-56.6	0	0	0	110.2	D558 D559 V584 D588 A639 V640 M792 F904 T905 P907	D558-I586 CarbonylContact O-C 3.56Å; D558-I586 WeakPolarHBondContact O-CA 3.3Å; D559-I586 HydrophobicContact CB-CD1 3.42Å; D559-I586 VanDerWaalsContact CB-CD1 3.42Å; V584-I586 HydrophobicContact CG1-CD1 3.63Å; V584-I586 HydrophobicContact CG1-CG1 4.15Å; I586-D588 PolarHBondContact O-N 3.35Å; I586-A639 CarbonylContact O-C 3.58Å; I586-A639 WeakPolarHBondContact O-CA 3.49Å; I586-A639 VanDerWaalsContact O-CB 3.29Å; I586-A639 WeakPolarHBondContact O-CB 3.3Å; I586-V640 PolarHBondContact N-O 3.29Å; I586-V640 PolarHBondContact O-N 3.37Å; I586-M792 HydrophobicContact CD1-SD 4.23Å; I586-F904 HydrophobicContact CB-CE1 4.13Å; I586-F904 HydrophobicContact CB-CZ 4.11Å; I586-F904 HydrophobicContact CD1-CE1 4.47Å; I586-F904 HydrophobicContact CG1-CD1 3.87Å; I586-F904 HydrophobicContact CG1-CE1 3.3Å; I586-F904 HydrophobicContact CG1-CZ 3.78Å; I586-F904 WeakPolarHBondContact CG2-O 3.48Å; I586-T905 HydrophobicContact CD1-CG2 3.96Å; I586-T905 HydrophobicContact CG1-CG2 4.39Å; I586-P907 HydrophobicContact CG2-CG 3.69Å
587	A	98.6	Very high	93.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-45.2	125.1	176.7	0	0	0	0	0	113	D558 V589 C629 L631 P907 I908 H917	D558-A587 PolarHBondContact O-N 2.87Å; A587-V589 HydrophobicContact CB-CG2 4.26Å; A587-V589 PolarHBondContact O-N 3.38Å; A587-C629 HydrophobicContact CB-CB 4.34Å; A587-C629 WeakPolarHBondContact CB-O 3.46Å; A587-L631 HydrophobicContact CB-CD2 4.36Å; A587-L631 HydrophobicContact CB-CG 4.36Å; A587-P907 HydrophobicContact CB-CG 4.36Å; A587-P907 WeakPolarHBondContact O-CG 3.44Å; A587-I908 HydrophobicContact CB-CD1 4.08Å; A587-I908 HydrophobicContact CB-CG1 4.13Å; A587-H917 PolarHBondContact O-CE1 2.87Å; A587-H917 VanDerWaalsContact O-CE1 3.29Å
588	D	97.1	Very high	93.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.112	C	C	.	.			trans	-82.2	64.6	179.2	-170.4	3.7	0	0	0	111.7	R527 I586 S590 Y591 F592 Y638 V640 R660	R527-D588 IonicContact CZ-OD2 2.79Å; R527-D588 IonicContact NH1-OD2 3.05Å; R527-D588 PolarHBondContact NH1-OD2 3.08Å; R527-D588 IonicContact NH2-OD2 3.94Å; R527-D588 PolarHBondContact NH2-OD2 2.93Å; I586-D588 PolarHBondContact O-N 3.35Å; D588-S590 PolarHBondContact O-N 3.25Å; D588-S590 PolarHBondContact OD1-OG 3.47Å; D588-Y591 WeakPolarHBondContact O-CB 3.33Å; D588-Y591 PolarHBondContact O-N 3.26Å; D588-Y591 PolarHBondContact OD1-N 3.22Å; D588-Y591 WeakPolarHBondContact OD2-CB 3.03Å; D588-F592 WeakPolarHBondContact O-CD2 3.42Å; D588-Y638 PolarHBondContact N-O 2.59Å; D588-V640 HydrophobicContact CB-CG2 3.91Å; D588-R660 IonicContact OD1-NE 3.82Å; D588-R660 IonicContact OD1-NH2 3.75Å; D588-R660 WeakPolarHBondContact OD2-CD 3.32Å; D588-R660 IonicContact OD2-CZ 2.7Å; D588-R660 IonicContact OD2-NE 2.63Å; D588-R660 PolarHBondContact OD2-NE 3.34Å; D588-R660 IonicContact OD2-NH2 3.73Å
589	V	96.9	Very high	93.4	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-60	-34.4	176.7	177.2	0	0	0	0	111	A587 Y591 F592 V593 L620 C629 P907 I908 I914	A587-V589 HydrophobicContact CB-CG2 4.26Å; A587-V589 PolarHBondContact O-N 3.38Å; V589-Y591 PolarHBondContact O-N 3.2Å; V589-Y591 VanDerWaalsContact O-N 3.12Å; V589-F592 PolarHBondContact O-N 3.46Å; V589-V593 HydrophobicContact CG1-CB 4.41Å; V589-V593 HydrophobicContact CG1-CG2 3.92Å; V589-V593 PolarHBondContact O-N 3.25Å; V589-L620 HydrophobicContact CG1-CD1 3.53Å; V589-L620 HydrophobicContact CG2-CD1 4.46Å; V589-C629 HydrophobicContact CG2-CB 3.84Å; V589-P907 HydrophobicContact CB-CB 3.99Å; V589-P907 HydrophobicContact CB-CG 4.32Å; V589-P907 HydrophobicContact CG2-CB 3.84Å; V589-P907 HydrophobicContact CG2-CG 3.79Å; V589-I908 HydrophobicContact CG2-CG1 3.88Å; V589-I914 HydrophobicContact CB-CG1 4.41Å; V589-I914 HydrophobicContact CG1-CD1 3.67Å; V589-I914 HydrophobicContact CG1-CG1 3.99Å
590	S	94.3	Very high	93.3	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-61.5	-21.4	-178.9	79.9	0	0	0	0	114.1	D588 R660 L921 S929	D588-S590 PolarHBondContact O-N 3.25Å; D588-S590 PolarHBondContact OD1-OG 3.47Å; S590-R660 PolarHBondContact OG-NH2 2.85Å; S590-L921 WeakPolarHBondContact OG-CD1 3.34Å; S590-S929 WeakPolarHBondContact O-CB 3.39Å
591	Y	92.8	Very high	93	Very high	73 Å²	73	17.5 Å²	17.5	29%	0.286	10%	0.103	S	C	.	.	H	α-helix	trans	-75.9	-40.3	173.4	175.4	-92.5	0	0	0	112.2	E523 R527 D588 V589 Y638	E523-Y591 HydrophobicContact CG-CE2 4.21Å; R527-Y591 VanDerWaalsContact NH2-CD2 3.29Å; D588-Y591 WeakPolarHBondContact O-CB 3.33Å; D588-Y591 PolarHBondContact O-N 3.26Å; D588-Y591 PolarHBondContact OD1-N 3.22Å; D588-Y591 WeakPolarHBondContact OD2-CB 3.03Å; V589-Y591 PolarHBondContact O-N 3.2Å; V589-Y591 VanDerWaalsContact O-N 3.12Å; Y591-Y638 AromaticContact CD1-CD2 3.79Å; Y591-Y638 HydrophobicContact CD1-CD2 3.79Å; Y591-Y638 HydrophobicContact CD1-CE2 4.07Å; Y591-Y638 AromaticContact CE1-CD2 3.82Å; Y591-Y638 HydrophobicContact CE1-CD2 3.82Å; Y591-Y638 AromaticContact CE1-CE2 3.59Å; Y591-Y638 HydrophobicContact CE1-CE2 3.59Å; Y591-Y638 HydrophobicContact CG-CD2 4.33Å; Y591-Y638 AromaticContact CZ-CE2 3.84Å
592	F	92.1	Very high	92.7	Very high	19 Å²	19	17.8 Å²	17.8	8%	0.083	10%	0.104	C	C	.	.	H	α-helix	trans	-83.6	-24.6	-178.8	-62	-80.3	0	0	0	113	L511 W517 D588 V589 P594 L624 L628 C629 Y638	L511-F592 HydrophobicContact CD1-CD1 4.09Å; W517-F592 AromaticContact CE2-CE1 3.99Å; W517-F592 AromaticContact CE2-CZ 4Å; W517-F592 HydrophobicContact CH2-CZ 4.39Å; W517-F592 HydrophobicContact CZ2-CE1 4.31Å; W517-F592 AromaticContact CZ2-CZ 3.88Å; W517-F592 HydrophobicContact CZ2-CZ 3.88Å; W517-F592 AromaticContact NE1-CE1 3.86Å; D588-F592 WeakPolarHBondContact O-CD2 3.42Å; V589-F592 PolarHBondContact O-N 3.46Å; F592-P594 VanDerWaalsContact O-CD 3.29Å; F592-P594 WeakPolarHBondContact O-CD 3.36Å; F592-L624 HydrophobicContact CB-CD2 3.85Å; F592-L624 HydrophobicContact CG-CD2 4.25Å; F592-L628 HydrophobicContact CE1-CB 4.48Å; F592-C629 VanDerWaalsContact CD2-SG 3.57Å; F592-Y638 HydrophobicContact CE2-CD2 4.29Å; F592-Y638 AromaticContact CZ-CD2 3.98Å; F592-Y638 HydrophobicContact CZ-CD2 3.98Å
593	V	92.2	Very high	92.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.104	C	C	.	.	S	Bend	trans	-115.7	83.7	-179.5	-173.9	0	0	0	0	108.9	V589 I599 D600 L620 L624 R918	V589-V593 HydrophobicContact CG1-CB 4.41Å; V589-V593 HydrophobicContact CG1-CG2 3.92Å; V589-V593 PolarHBondContact O-N 3.25Å; V593-I599 HydrophobicContact CG1-CB 4.31Å; V593-I599 HydrophobicContact CG1-CG2 3.89Å; V593-I599 HydrophobicContact CG2-CG2 3.84Å; V593-D600 HydrophobicContact CG1-CB 3.76Å; V593-L620 HydrophobicContact CG2-CD2 4.2Å; V593-L624 HydrophobicContact CG2-CD1 3.59Å; V593-R918 PolarHBondContact O-NH2 3.05Å
594	P	87.2	Confident	92.3	Very high	36 Å²	36	21.4 Å²	21.4	23%	0.234	12%	0.118	C	C	.	.			trans	-68.6	148.5	178.7	27.7	-31.9	0	0	0	110.7	F592 G596 S597 D600	F592-P594 VanDerWaalsContact O-CD 3.29Å; F592-P594 WeakPolarHBondContact O-CD 3.36Å; P594-G596 PolarHBondContact O-N 2.77Å; P594-S597 WeakPolarHBondContact O-CB 3.42Å; P594-S597 PolarHBondContact O-N 2.8Å; P594-S597 PolarHBondContact O-OG 2.98Å; P594-D600 WeakPolarHBondContact O-CB 3.4Å
595	S	86.4	Confident	91.9	Very high	23 Å²	23	25.8 Å²	25.8	16%	0.161	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	135.3	178.6	-161	0	0	0	0	111.7	S597 D600 S929 T932	S595-S597 VanDerWaalsContact C-N 3.28Å; S595-S597 PolarHBondContact O-N 3.13Å; S595-D600 WeakPolarHBondContact CA-OD2 3.4Å; S595-S929 PolarHBondContact N-O 2.7Å; S595-T932 PolarHBondContact O-OG1 2.86Å; S595-T932 VanDerWaalsContact O-OG1 3.05Å
596	G	80.5	Confident	91.7	Very high	51 Å²	51	27.4 Å²	27.4	53%	0.526	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	4.4	179.5	0	0	0	0	0	115.5	P594 D600	P594-G596 PolarHBondContact O-N 2.77Å; G596-D600 PolarHBondContact N-OD2 3.42Å
597	S	85.8	Confident	91.6	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.021	14%	0.143	C	C	.	.	S	Bend	trans	-69	166.4	169	59.5	0	0	0	0	112.3	E507 P594 S595 I599 D600 S601	E507-S597 WeakPolarHBondContact OE1-CB 3.36Å; P594-S597 WeakPolarHBondContact O-CB 3.42Å; P594-S597 PolarHBondContact O-N 2.8Å; P594-S597 PolarHBondContact O-OG 2.98Å; S595-S597 VanDerWaalsContact C-N 3.28Å; S595-S597 PolarHBondContact O-N 3.13Å; S597-I599 VanDerWaalsContact C-N 3.34Å; S597-D600 PolarHBondContact O-N 3.45Å; S597-D600 WeakPolarHBondContact OG-CB 3.3Å; S597-D600 PolarHBondContact OG-N 3.03Å; S597-D600 VanDerWaalsContact OG-N 3.15Å; S597-S601 PolarHBondContact O-N 3.33Å; S597-S601 PolarHBondContact O-OG 2.94Å
598	Y	85.7	Confident	91.5	Very high	80 Å²	80	28.7 Å²	28.7	31%	0.314	15%	0.149	S	C	.	.	H	α-helix	trans	-65.7	-38.8	175.3	-61.7	-50.2	0	0	0	111.7	H55 A117 A503 E507 S601 E602	H55-Y598 AromaticContact CE1-CD1 3.66Å; H55-Y598 AromaticContact CE1-CE1 2.98Å; H55-Y598 WeakPolarHBondContact CE1-CE1 3.38Å; H55-Y598 AromaticContact CE1-CZ 3.59Å; H55-Y598 AromaticContact ND1-CE1 3.77Å; H55-Y598 AromaticContact ND1-CZ 3.92Å; H55-Y598 AromaticContact NE2-CE1 3.63Å; A117-Y598 HydrophobicContact CB-CD1 4.4Å; A503-Y598 HydrophobicContact CB-CD2 4.11Å; A503-Y598 HydrophobicContact CB-CE2 4.28Å; E507-Y598 HydrophobicContact CG-CD2 4.15Å; E507-Y598 WeakPolarHBondContact OE1-CB 3.47Å; E507-Y598 WeakPolarHBondContact OE1-CD2 3.32Å; E507-Y598 PolarHBondContact OE1-N 3.03Å; E507-Y598 PolarHBondContact OE2-N 2.9Å; Y598-S601 PolarHBondContact O-N 2.92Å; Y598-E602 PolarHBondContact O-N 2.63Å; Y598-E602 VanDerWaalsContact O-N 3.1Å
599	I	90.8	Very high	91.5	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.015	15%	0.15	C	C	.	.	H	α-helix	trans	-65.3	-40.8	173.8	-65.5	167.2	0	0	0	110.8	Q504 E507 L508 V593 S597 E602 A603 L620 P621 L624	Q504-I599 HydrophobicContact CB-CG1 4.16Å; Q504-I599 WeakPolarHBondContact O-CD1 3.48Å; E507-I599 HydrophobicContact CB-CD1 4.08Å; E507-I599 VanDerWaalsContact OE2-CG1 3.3Å; E507-I599 WeakPolarHBondContact OE2-CG1 3.29Å; E507-I599 PolarHBondContact OE2-N 2.79Å; L508-I599 HydrophobicContact CD1-CD1 3.99Å; L508-I599 HydrophobicContact CD2-CD1 3.61Å; L508-I599 HydrophobicContact CG-CD1 3.64Å; V593-I599 HydrophobicContact CG1-CB 4.31Å; V593-I599 HydrophobicContact CG1-CG2 3.89Å; V593-I599 HydrophobicContact CG2-CG2 3.84Å; S597-I599 VanDerWaalsContact C-N 3.34Å; I599-E602 PolarHBondContact O-N 3.36Å; I599-A603 WeakPolarHBondContact O-CB 3.36Å; I599-A603 PolarHBondContact O-N 3.47Å; I599-L620 HydrophobicContact CG2-CD2 3.93Å; I599-P621 HydrophobicContact CD1-CG 4.36Å; I599-P621 HydrophobicContact CG1-CG 4.32Å; I599-P621 HydrophobicContact CG2-CG 4.49Å; I599-L624 HydrophobicContact CD1-CD1 4.37Å; I599-L624 HydrophobicContact CG2-CD1 4.21Å
600	D	92.4	Very high	91.5	Very high	7 Å²	7	29.4 Å²	29.4	4%	0.037	15%	0.153	C	C	.	.	H	α-helix	trans	-61.8	-44.1	176.9	-175.6	56.1	0	0	0	112.1	V593 P594 S595 G596 S597 E602 A603 R604 Y911 R918	V593-D600 HydrophobicContact CG1-CB 3.76Å; P594-D600 WeakPolarHBondContact O-CB 3.4Å; S595-D600 WeakPolarHBondContact CA-OD2 3.4Å; G596-D600 PolarHBondContact N-OD2 3.42Å; S597-D600 PolarHBondContact O-N 3.45Å; S597-D600 WeakPolarHBondContact OG-CB 3.3Å; S597-D600 PolarHBondContact OG-N 3.03Å; S597-D600 VanDerWaalsContact OG-N 3.15Å; D600-E602 VanDerWaalsContact C-N 3.32Å; D600-E602 PolarHBondContact O-N 3.27Å; D600-A603 PolarHBondContact O-N 3.09Å; D600-R604 WeakPolarHBondContact O-CB 3.44Å; D600-R604 PolarHBondContact O-N 3.14Å; D600-Y911 WeakPolarHBondContact OD1-CE2 3.44Å; D600-Y911 PolarHBondContact OD1-OH 2.98Å; D600-R918 VanDerWaalsContact CG-NH2 3.32Å; D600-R918 IonicContact OD1-CZ 3.01Å; D600-R918 IonicContact OD1-NH1 2.73Å; D600-R918 PolarHBondContact OD1-NH1 3.38Å; D600-R918 IonicContact OD1-NH2 3.83Å; D600-R918 PolarHBondContact OD1-NH2 3.33Å; D600-R918 IonicContact OD2-NH1 2.74Å; D600-R918 PolarHBondContact OD2-NH1 2.82Å; D600-R918 IonicContact OD2-NH2 3.54Å
601	S	88.9	Confident	91.4	Very high	64 Å²	64	32.1 Å²	32.1	45%	0.448	16%	0.164	S	C	.	.	H	α-helix	trans	-61.7	-41.3	177.9	-60	0	0	0	0	111.6	S597 Y598 R605	S597-S601 PolarHBondContact O-N 3.33Å; S597-S601 PolarHBondContact O-OG 2.94Å; Y598-S601 PolarHBondContact O-N 2.92Å; S601-R605 WeakPolarHBondContact O-CB 3.46Å; S601-R605 PolarHBondContact O-N 3.14Å
602	E	91	Very high	91.5	Very high	14 Å²	14	29.2 Å²	29.2	7%	0.065	15%	0.153	C	C	.	.	H	α-helix	trans	-70.4	-39.6	175.7	-175	60.3	-167.2	0	0	112.3	F500 Y598 I599 D600 R605 R606	F500-E602 HydrophobicContact CD1-CG 4.1Å; F500-E602 HydrophobicContact CE1-CG 3.79Å; Y598-E602 PolarHBondContact O-N 2.63Å; Y598-E602 VanDerWaalsContact O-N 3.1Å; I599-E602 PolarHBondContact O-N 3.36Å; D600-E602 VanDerWaalsContact C-N 3.32Å; D600-E602 PolarHBondContact O-N 3.27Å; E602-R605 WeakPolarHBondContact O-CB 3.41Å; E602-R605 PolarHBondContact O-N 2.97Å; E602-R605 IonicContact OE2-NE 3.08Å; E602-R606 WeakPolarHBondContact O-CG 3.35Å; E602-R606 PolarHBondContact O-N 3.02Å; E602-R606 IonicContact OE1-CZ 3.99Å; E602-R606 VanDerWaalsContact OE1-CZ 3.3Å; E602-R606 IonicContact OE1-NE 3.64Å; E602-R606 PolarHBondContact OE1-NE 3.46Å; E602-R606 IonicContact OE1-NH2 3.45Å; E602-R606 PolarHBondContact OE1-NH2 3.22Å
603	A	94.8	Very high	91.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.9	-41.9	174.8	0	0	0	0	0	111.3	I599 D600 S607 M619 L620 Y911	I599-A603 WeakPolarHBondContact O-CB 3.36Å; I599-A603 PolarHBondContact O-N 3.47Å; D600-A603 PolarHBondContact O-N 3.09Å; A603-S607 VanDerWaalsContact O-CA 3.3Å; A603-S607 WeakPolarHBondContact O-CA 3.31Å; A603-S607 PolarHBondContact O-N 2.8Å; A603-M619 HydrophobicContact CB-CE 4.37Å; A603-M619 HydrophobicContact CB-CG 4.06Å; A603-M619 HydrophobicContact CB-SD 4.32Å; A603-L620 HydrophobicContact CB-CD2 3.8Å; A603-Y911 HydrophobicContact CB-CD2 3.81Å; A603-Y911 HydrophobicContact CB-CE2 4.22Å
604	R	93.7	Very high	91.3	Very high	76 Å²	76	30.1 Å²	30.1	29%	0.287	16%	0.161	S	C	.	.	H	α-helix	trans	-59.5	-46	171.7	-177.8	176.7	175.6	160.9	0.4	110.8	D600 S607 Y911 E960 I964 H967	D600-R604 WeakPolarHBondContact O-CB 3.44Å; D600-R604 PolarHBondContact O-N 3.14Å; R604-S607 PolarHBondContact O-N 3.19Å; R604-S607 PolarHBondContact O-OG 2.83Å; R604-Y911 HydrophobicContact CB-CD1 4.23Å; R604-Y911 HydrophobicContact CB-CD2 4.45Å; R604-Y911 HydrophobicContact CB-CE1 3.7Å; R604-Y911 HydrophobicContact CB-CE2 3.96Å; R604-Y911 HydrophobicContact CG-CD1 4.38Å; R604-Y911 HydrophobicContact CG-CE1 3.74Å; R604-E960 IonicContact CZ-OE1 3.7Å; R604-E960 IonicContact NH1-OE1 3.68Å; R604-E960 PolarHBondContact NH1-OE1 3.08Å; R604-E960 IonicContact NH2-OE1 3.52Å; R604-E960 PolarHBondContact NH2-OE1 3.44Å; R604-I964 VanDerWaalsContact CZ-CD1 3.45Å; R604-I964 VanDerWaalsContact CZ-CG1 3.43Å; R604-H967 PolarHBondContact O-CD2 2.72Å; R604-H967 VanDerWaalsContact O-CD2 3.28Å; R604-H967 PolarHBondContact O-NE2 3.26Å
605	R	92	Very high	91.5	Very high	92 Å²	92	32.1 Å²	32.1	35%	0.347	16%	0.164	S	C	.	.	H	α-helix	trans	-61.9	-49.2	179	-172.5	-174.8	122.2	77.5	6.6	111.9	V496 S601 E602 H967	V496-R605 PolarHBondContact O-NH2 2.88Å; V496-R605 VanDerWaalsContact O-NH2 3.15Å; S601-R605 WeakPolarHBondContact O-CB 3.46Å; S601-R605 PolarHBondContact O-N 3.14Å; E602-R605 WeakPolarHBondContact O-CB 3.41Å; E602-R605 PolarHBondContact O-N 2.97Å; E602-R605 IonicContact OE2-NE 3.08Å; R605-H967 PolarHBondContact O-CE1 3.33Å; R605-H967 PolarHBondContact O-NE2 3.39Å
606	R	94.1	Very high	91.7	Very high	34 Å²	34	33.7 Å²	33.7	13%	0.128	17%	0.166	C	C	.	.	H	α-helix	trans	-70.2	-35.8	177.5	-68	-176.3	-170.6	-151	-2.5	112.8	R498 E602 T608 D618 M619	R498-R606 PolarHBondContact O-NH2 3.12Å; E602-R606 WeakPolarHBondContact O-CG 3.35Å; E602-R606 PolarHBondContact O-N 3.02Å; E602-R606 IonicContact OE1-CZ 3.99Å; E602-R606 VanDerWaalsContact OE1-CZ 3.3Å; E602-R606 IonicContact OE1-NE 3.64Å; E602-R606 PolarHBondContact OE1-NE 3.46Å; E602-R606 IonicContact OE1-NH2 3.45Å; E602-R606 PolarHBondContact OE1-NH2 3.22Å; R606-T608 PolarHBondContact O-N 3.16Å; R606-D618 PolarHBondContact NH1-O 3.46Å; R606-M619 HydrophobicContact CB-CG 4.21Å
607	S	96.7	Very high	92.4	Very high	6 Å²	6	33.3 Å²	33.3	4%	0.042	15%	0.149	C	C	.	.			trans	60.2	-35.1	-176.1	-69.3	0	0	0	0	116.8	A603 R604 Y911 H967	A603-S607 VanDerWaalsContact O-CA 3.3Å; A603-S607 WeakPolarHBondContact O-CA 3.31Å; A603-S607 PolarHBondContact O-N 2.8Å; R604-S607 PolarHBondContact O-N 3.19Å; R604-S607 PolarHBondContact O-OG 2.83Å; S607-Y911 WeakPolarHBondContact O-CB 3.36Å; S607-Y911 PolarHBondContact O-N 3.01Å; S607-H967 PolarHBondContact OG-CD2 3.18Å; S607-H967 PolarHBondContact OG-NE2 2.96Å
608	T	96.8	Very high	92.9	Very high	21 Å²	21	34.4 Å²	34.4	13%	0.129	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-148.1	148.9	-179	-174.2	0	0	0	0	110.6	R606 R909 A975	R606-T608 PolarHBondContact O-N 3.16Å; T608-R909 CarbonylContact C-O 3.51Å; T608-R909 VanDerWaalsContact CA-O 3.26Å; T608-R909 WeakPolarHBondContact CA-O 3.32Å; T608-R909 PolarHBondContact OG1-O 3.45Å; T608-A975 HydrophobicContact CG2-CB 3.76Å
609	S	97	Very high	93.4	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.021	14%	0.14	C	C	.	.			trans	-67.4	149.4	163.9	-63.7	0	0	0	0	110.1	Y617 M619 R909	S609-Y617 CarbonylContact C-O 3.53Å; S609-Y617 VanDerWaalsContact CA-O 3.3Å; S609-Y617 WeakPolarHBondContact CA-O 3.27Å; S609-Y617 WeakPolarHBondContact CB-O 3.38Å; S609-M619 PolarHBondContact OG-N 3.03Å; S609-R909 PolarHBondContact N-O 3.01Å; S609-R909 WeakPolarHBondContact OG-CA 3.21Å; S609-R909 WeakPolarHBondContact OG-CB 3.2Å
610	I	96.1	Very high	93.6	Very high	13 Å²	13	30.5 Å²	30.5	7%	0.067	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	124.4	-180	-61.1	156.4	0	0	0	108.3	L495 I497 L612 R616 Y617 A975 V978	L495-I610 HydrophobicContact CB-CD1 4.38Å; L495-I610 HydrophobicContact CD1-CD1 3.59Å; L495-I610 HydrophobicContact CD1-CG1 4.11Å; L495-I610 HydrophobicContact CD2-CD1 4.45Å; L495-I610 HydrophobicContact CG-CD1 4.36Å; I497-I610 HydrophobicContact CD1-CD1 3.49Å; I497-I610 VanDerWaalsContact CD1-CD1 3.49Å; I610-L612 HydrophobicContact CG2-CD2 3.99Å; I610-R616 CarbonylContact O-C 3.48Å; I610-R616 VanDerWaalsContact O-CA 3.23Å; I610-R616 WeakPolarHBondContact O-CA 3.27Å; I610-R616 WeakPolarHBondContact O-CB 3.47Å; I610-Y617 HydrophobicContact CB-CD2 4.46Å; I610-Y617 PolarHBondContact N-O 3.44Å; I610-Y617 PolarHBondContact O-N 2.96Å; I610-A975 HydrophobicContact CG1-CB 3.95Å; I610-V978 HydrophobicContact CG2-CG1 3.92Å
611	Y	92.7	Very high	93.7	Very high	57 Å²	57	30.2 Å²	30.2	22%	0.224	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	119	-179.4	-60.7	-93.5	0	0	0	109.5	D556 R616 R909 Q979	D556-Y611 PolarHBondContact OD2-OH 3.2Å; Y611-R616 HydrophobicContact CD1-CB 3.98Å; Y611-R616 HydrophobicContact CE1-CB 4.37Å; Y611-R909 WeakPolarHBondContact OH-CB 3.5Å; Y611-R909 WeakPolarHBondContact OH-CD 3.35Å; Y611-Q979 WeakPolarHBondContact O-CB 3.46Å; Y611-Q979 WeakPolarHBondContact O-CG 3.23Å
612	L	93.7	Very high	93.9	Very high	11 Å²	11	29.4 Å²	29.4	6%	0.058	14%	0.14	C	C	.	.			trans	-101.7	172.3	171.5	-52.5	-172.5	0	0	0	109.2	T486 I610 R615 Y617 V978	T486-L612 HydrophobicContact CG2-CD1 3.39Å; I610-L612 HydrophobicContact CG2-CD2 3.99Å; L612-R615 CarbonylContact C-O 3.51Å; L612-R615 WeakPolarHBondContact CA-O 3.43Å; L612-R615 HydrophobicContact CB-CG 4.34Å; L612-R615 WeakPolarHBondContact CB-O 3.35Å; L612-R615 HydrophobicContact CD1-CG 4.02Å; L612-R615 HydrophobicContact CG-CG 4.46Å; L612-R615 PolarHBondContact N-O 3.24Å; L612-R615 VanDerWaalsContact O-O 3.12Å; L612-Y617 HydrophobicContact CD1-CD2 4.42Å; L612-Y617 HydrophobicContact CD1-CE2 3.71Å; L612-Y617 HydrophobicContact CG-CE2 4.4Å; L612-V978 HydrophobicContact CD2-CG1 3.38Å
613	A	90.4	Very high	93.9	Very high	19 Å²	19	30.9 Å²	30.9	16%	0.157	15%	0.148	C	C	.	.	S	Bend	trans	-64.1	-42.1	178.7	0	0	0	0	0	112.7	V761 F763 S982 F986	A613-V761 HydrophobicContact CB-CB 4.47Å; A613-V761 HydrophobicContact CB-CG2 3.92Å; A613-F763 WeakPolarHBondContact O-CE2 3.14Å; A613-S982 PolarHBondContact N-OG 2.87Å; A613-S982 VanDerWaalsContact N-OG 3.12Å; A613-F986 HydrophobicContact CB-CB 4.09Å; A613-F986 HydrophobicContact CB-CD1 4.08Å; A613-F986 HydrophobicContact CB-CD2 3.46Å; A613-F986 VanDerWaalsContact CB-CD2 3.46Å; A613-F986 HydrophobicContact CB-CE1 4.41Å; A613-F986 HydrophobicContact CB-CE2 3.81Å; A613-F986 HydrophobicContact CB-CG 3.59Å; A613-F986 HydrophobicContact CB-CZ 4.28Å
614	D	90.2	Very high	93.9	Very high	20 Å²	20	30.9 Å²	30.9	11%	0.107	15%	0.148	C	C	.	.	S	Bend	trans	-92.2	-33.6	-177.7	62.5	-25	0	0	0	113.6	F763 R769 F986	D614-F763 HydrophobicContact CB-CE1 4.38Å; D614-F763 HydrophobicContact CB-CZ 4.08Å; D614-R769 VanDerWaalsContact O-CB 3.29Å; D614-R769 WeakPolarHBondContact O-CB 3.33Å; D614-R769 WeakPolarHBondContact O-CD 3.42Å; D614-F986 HydrophobicContact CB-CE1 4.15Å; D614-F986 HydrophobicContact CB-CE2 4.42Å; D614-F986 HydrophobicContact CB-CZ 3.6Å
615	R	91.8	Very high	93.8	Very high	77 Å²	77	27.3 Å²	27.3	29%	0.291	14%	0.135	S	C	.	.			trans	-144	-178.1	-172.6	76.4	-168.6	81.9	-174	12.5	113.3	E483 L612	E483-R615 IonicContact OE2-CZ 2.96Å; E483-R615 IonicContact OE2-NH1 3.9Å; E483-R615 PolarHBondContact OE2-NH1 3.21Å; E483-R615 IonicContact OE2-NH2 3.68Å; E483-R615 PolarHBondContact OE2-NH2 3.43Å; L612-R615 CarbonylContact C-O 3.51Å; L612-R615 WeakPolarHBondContact CA-O 3.43Å; L612-R615 HydrophobicContact CB-CG 4.34Å; L612-R615 WeakPolarHBondContact CB-O 3.35Å; L612-R615 HydrophobicContact CD1-CG 4.02Å; L612-R615 HydrophobicContact CG-CG 4.46Å; L612-R615 PolarHBondContact N-O 3.24Å; L612-R615 VanDerWaalsContact O-O 3.12Å
616	R	91.7	Very high	93.7	Very high	56 Å²	56	23.7 Å²	23.7	21%	0.211	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	155.5	170.7	71.1	-175.1	-166.1	-164.8	7.6	111.5	D556 I610 Y611 D618	D556-R616 IonicContact OD1-CZ 3.34Å; D556-R616 IonicContact OD1-NH1 3.18Å; D556-R616 PolarHBondContact OD1-NH1 3.2Å; D556-R616 IonicContact OD1-NH2 3.58Å; D556-R616 IonicContact OD2-NH1 2.63Å; I610-R616 CarbonylContact O-C 3.48Å; I610-R616 VanDerWaalsContact O-CA 3.23Å; I610-R616 WeakPolarHBondContact O-CA 3.27Å; I610-R616 WeakPolarHBondContact O-CB 3.47Å; Y611-R616 HydrophobicContact CD1-CB 3.98Å; Y611-R616 HydrophobicContact CE1-CB 4.37Å; R616-D618 WeakPolarHBondContact CD-OD1 3.48Å; R616-D618 IonicContact CZ-OD1 3.42Å; R616-D618 IonicContact NE-OD1 3.06Å; R616-D618 PolarHBondContact NE-OD1 3.38Å; R616-D618 IonicContact NE-OD2 2.92Å; R616-D618 IonicContact NH2-OD1 2.72Å; R616-D618 IonicContact NH2-OD2 3.47Å
617	Y	94.5	Very high	93.6	Very high	43 Å²	43	24.5 Å²	24.5	17%	0.169	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	112.5	169.3	-60.7	-69.4	0	0	0	108.8	L490 I497 S609 I610 L612	L490-Y617 HydrophobicContact CD1-CE2 3.75Å; L490-Y617 HydrophobicContact CD2-CD2 4.47Å; L490-Y617 HydrophobicContact CD2-CE2 4.29Å; I497-Y617 HydrophobicContact CB-CD1 4.5Å; I497-Y617 HydrophobicContact CD1-CD2 4.19Å; I497-Y617 HydrophobicContact CD1-CG 4.13Å; I497-Y617 HydrophobicContact CG1-CD1 4.42Å; I497-Y617 HydrophobicContact CG1-CD2 4.06Å; I497-Y617 HydrophobicContact CG1-CE2 4.27Å; I497-Y617 HydrophobicContact CG1-CG 4.12Å; I497-Y617 HydrophobicContact CG2-CD1 3.45Å; I497-Y617 VanDerWaalsContact CG2-CD1 3.45Å; I497-Y617 HydrophobicContact CG2-CE1 3.77Å; I497-Y617 HydrophobicContact CG2-CG 3.87Å; S609-Y617 CarbonylContact C-O 3.53Å; S609-Y617 VanDerWaalsContact CA-O 3.3Å; S609-Y617 WeakPolarHBondContact CA-O 3.27Å; S609-Y617 WeakPolarHBondContact CB-O 3.38Å; I610-Y617 HydrophobicContact CB-CD2 4.46Å; I610-Y617 PolarHBondContact N-O 3.44Å; I610-Y617 PolarHBondContact O-N 2.96Å; L612-Y617 HydrophobicContact CD1-CD2 4.42Å; L612-Y617 HydrophobicContact CD1-CE2 3.71Å; L612-Y617 HydrophobicContact CG-CE2 4.4Å
618	D	95.5	Very high	93.4	Very high	27 Å²	27	24.4 Å²	24.4	14%	0.144	13%	0.132	C	C	.	.			trans	-74.8	141.2	-175.7	-68	-20.7	0	0	0	111.3	R606 R616 L620 S625	R606-D618 PolarHBondContact NH1-O 3.46Å; R616-D618 WeakPolarHBondContact CD-OD1 3.48Å; R616-D618 IonicContact CZ-OD1 3.42Å; R616-D618 IonicContact NE-OD1 3.06Å; R616-D618 PolarHBondContact NE-OD1 3.38Å; R616-D618 IonicContact NE-OD2 2.92Å; R616-D618 IonicContact NH2-OD1 2.72Å; R616-D618 IonicContact NH2-OD2 3.47Å; D618-L620 VanDerWaalsContact C-N 3.26Å; D618-L620 WeakPolarHBondContact CB-O 3.49Å; D618-S625 PolarHBondContact OD2-OG 3.49Å
619	M	96.1	Very high	93.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	-63.5	-35.2	168.9	-176.9	-174.4	74.1	0	0	111.6	A603 R606 S609 P907 Y911 I914	A603-M619 HydrophobicContact CB-CE 4.37Å; A603-M619 HydrophobicContact CB-CG 4.06Å; A603-M619 HydrophobicContact CB-SD 4.32Å; R606-M619 HydrophobicContact CB-CG 4.21Å; S609-M619 PolarHBondContact OG-N 3.03Å; M619-P907 WeakPolarHBondContact CE-O 3.03Å; M619-Y911 PolarHBondContact SD-N 3.43Å; M619-I914 HydrophobicContact CE-CD1 3.68Å
620	L	96.7	Very high	93.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	-114.2	157.1	-177.2	-61.3	174.6	0	0	0	111.3	F500 V589 V593 I599 A603 D618 L624 I908	F500-L620 WeakPolarHBondContact CZ-O 3.41Å; V589-L620 HydrophobicContact CG1-CD1 3.53Å; V589-L620 HydrophobicContact CG2-CD1 4.46Å; V593-L620 HydrophobicContact CG2-CD2 4.2Å; I599-L620 HydrophobicContact CG2-CD2 3.93Å; A603-L620 HydrophobicContact CB-CD2 3.8Å; D618-L620 VanDerWaalsContact C-N 3.26Å; D618-L620 WeakPolarHBondContact CB-O 3.49Å; L620-L624 HydrophobicContact CB-CB 4.31Å; L620-I908 WeakPolarHBondContact CD1-O 3.4Å
621	P	94.4	Very high	93.4	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.013	12%	0.123	C	C	.	.			trans	-56.1	146	173.4	-25.4	33.9	0	0	0	112.6	F500 L505 L508 I599 L623 L624 S625	F500-P621 HydrophobicContact CD1-CG 3.71Å; F500-P621 HydrophobicContact CD2-CB 4.21Å; F500-P621 HydrophobicContact CD2-CG 4.17Å; F500-P621 HydrophobicContact CE1-CG 3.82Å; F500-P621 HydrophobicContact CE2-CB 4.35Å; F500-P621 HydrophobicContact CE2-CG 4.28Å; F500-P621 HydrophobicContact CG-CB 4.34Å; F500-P621 HydrophobicContact CG-CG 3.89Å; F500-P621 HydrophobicContact CZ-CG 4.12Å; F500-P621 VanDerWaalsContact CZ-N 3.31Å; L505-P621 HydrophobicContact CD2-CB 4.34Å; L508-P621 HydrophobicContact CD1-CB 3.79Å; L508-P621 HydrophobicContact CD1-CG 3.99Å; I599-P621 HydrophobicContact CD1-CG 4.36Å; I599-P621 HydrophobicContact CG1-CG 4.32Å; I599-P621 HydrophobicContact CG2-CG 4.49Å; P621-L623 PolarHBondContact O-N 3.12Å; P621-L623 VanDerWaalsContact O-N 3.07Å; P621-L624 WeakPolarHBondContact O-CA 3.35Å; P621-L624 PolarHBondContact O-N 3.15Å; P621-S625 PolarHBondContact O-N 3.36Å; P621-S625 PolarHBondContact O-OG 3.05Å
622	G	91.3	Very high	93.5	Very high	47 Å²	47	23.3 Å²	23.3	49%	0.485	12%	0.124	S	C	.	.	H	α-helix	trans	-53.2	-32.9	-177.1	0	0	0	0	0	115	L624 S625 G626	G622-L624 VanDerWaalsContact C-N 3.29Å; G622-L624 PolarHBondContact O-N 2.81Å; G622-S625 WeakPolarHBondContact CA-OG 3.31Å; G622-G626 WeakPolarHBondContact O-CA 3.31Å; G622-G626 PolarHBondContact O-N 2.85Å
623	L	91.8	Very high	93.5	Very high	45 Å²	45	24 Å²	24	24%	0.236	13%	0.13	C	C	.	.	H	α-helix	trans	-63.3	-34.5	175.2	-179.8	62.1	0	0	0	112.3	L508 P621 D627 L628	L508-L623 HydrophobicContact CB-CD2 4.07Å; L508-L623 HydrophobicContact CD1-CB 4.37Å; L508-L623 HydrophobicContact CD1-CD2 4.31Å; P621-L623 PolarHBondContact O-N 3.12Å; P621-L623 VanDerWaalsContact O-N 3.07Å; L623-D627 WeakPolarHBondContact O-CB 3.37Å; L623-L628 HydrophobicContact CD1-CD1 4.34Å; L623-L628 HydrophobicContact CD1-CG 4.17Å; L623-L628 HydrophobicContact CD2-CD1 4.36Å; L623-L628 HydrophobicContact CG-CD1 3.97Å; L623-L628 HydrophobicContact CG-CG 4.18Å; L623-L628 WeakPolarHBondContact O-CG 3.09Å; L623-L628 PolarHBondContact O-N 3.03Å
624	L	94.1	Very high	93.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.146	C	C	.	.	I	π-helix	trans	-82.7	-51.7	174.6	-64.1	-175.6	0	0	0	111	L508 F592 V593 I599 L620 P621 G622 L628 C629	L508-L624 HydrophobicContact CD1-CG 4.26Å; L508-L624 HydrophobicContact CD2-CD1 4.1Å; L508-L624 HydrophobicContact CD2-CD2 3.93Å; L508-L624 HydrophobicContact CD2-CG 4.03Å; F592-L624 HydrophobicContact CB-CD2 3.85Å; F592-L624 HydrophobicContact CG-CD2 4.25Å; V593-L624 HydrophobicContact CG2-CD1 3.59Å; I599-L624 HydrophobicContact CD1-CD1 4.37Å; I599-L624 HydrophobicContact CG2-CD1 4.21Å; L620-L624 HydrophobicContact CB-CB 4.31Å; P621-L624 WeakPolarHBondContact O-CA 3.35Å; P621-L624 PolarHBondContact O-N 3.15Å; G622-L624 VanDerWaalsContact C-N 3.29Å; G622-L624 PolarHBondContact O-N 2.81Å; L624-L628 HydrophobicContact CD2-CB 4.21Å; L624-L628 HydrophobicContact CD2-CD1 4.08Å; L624-C629 VanDerWaalsContact O-CB 3.27Å; L624-C629 WeakPolarHBondContact O-CB 3.27Å; L624-C629 PolarHBondContact O-N 3.39Å
625	S	93.2	Very high	93.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.163	C	C	.	.	I	π-helix	trans	-68	-41.9	-172.5	62.5	0	0	0	0	113.5	D556 D618 P621 G622 I908	D556-S625 WeakPolarHBondContact CA-O 3.13Å; D618-S625 PolarHBondContact OD2-OG 3.49Å; P621-S625 PolarHBondContact O-N 3.36Å; P621-S625 PolarHBondContact O-OG 3.05Å; G622-S625 WeakPolarHBondContact CA-OG 3.31Å; S625-I908 VanDerWaalsContact CA-CG2 3.5Å
626	G	89.5	Confident	93.9	Very high	17 Å²	17	28.5 Å²	28.5	18%	0.175	16%	0.159	C	C	.	.	I	π-helix	trans	-99.1	-10.2	-175	0	0	0	0	0	114.8	G622 W632	G622-G626 WeakPolarHBondContact O-CA 3.31Å; G622-G626 PolarHBondContact O-N 2.85Å; G626-W632 PolarHBondContact O-NE1 2.89Å
627	D	91.7	Very high	94.1	Very high	50 Å²	50	26.3 Å²	26.3	27%	0.267	15%	0.151	S	C	.	.	I	π-helix	trans	-133.4	-81.3	-178.4	-175.2	27.5	0	0	0	112.9	L623 C629 S630 R635 R637	L623-D627 WeakPolarHBondContact O-CB 3.37Å; D627-C629 PolarHBondContact O-N 3.1Å; D627-S630 PolarHBondContact O-N 3.27Å; D627-S630 VanDerWaalsContact O-N 3.1Å; D627-R635 IonicContact OD1-NH1 2.97Å; D627-R635 PolarHBondContact OD1-NH1 3.02Å; D627-R635 VanDerWaalsContact OD1-NH1 3.12Å; D627-R637 PolarHBondContact O-NE 3.28Å; D627-R637 PolarHBondContact O-NH2 2.88Å; D627-R637 IonicContact OD1-CZ 2.7Å; D627-R637 IonicContact OD1-NH1 3.33Å; D627-R637 IonicContact OD1-NH2 3.78Å; D627-R637 PolarHBondContact OD1-NH2 3.26Å
628	L	92.2	Very high	94.3	Very high	5 Å²	5	24.4 Å²	24.4	3%	0.026	14%	0.144	C	C	.	.	I	π-helix	trans	-59.9	-40.4	-164.3	-64.6	-176.2	0	0	0	114.5	L511 W517 F592 L623 L624 R637	L511-L628 HydrophobicContact CB-CD1 3.86Å; L511-L628 HydrophobicContact CD1-CD1 3.91Å; L511-L628 HydrophobicContact CG-CD1 4.37Å; W517-L628 HydrophobicContact CB-CD2 3.56Å; W517-L628 HydrophobicContact CD2-CD2 4.19Å; W517-L628 HydrophobicContact CE3-CD2 4.2Å; W517-L628 HydrophobicContact CG-CD2 3.97Å; F592-L628 HydrophobicContact CE1-CB 4.48Å; L623-L628 HydrophobicContact CD1-CD1 4.34Å; L623-L628 HydrophobicContact CD1-CG 4.17Å; L623-L628 HydrophobicContact CD2-CD1 4.36Å; L623-L628 HydrophobicContact CG-CD1 3.97Å; L623-L628 HydrophobicContact CG-CG 4.18Å; L623-L628 WeakPolarHBondContact O-CG 3.09Å; L623-L628 PolarHBondContact O-N 3.03Å; L624-L628 HydrophobicContact CD2-CB 4.21Å; L624-L628 HydrophobicContact CD2-CD1 4.08Å; L628-R637 WeakPolarHBondContact O-CD 3.48Å
629	C	95.5	Very high	94.4	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.007	14%	0.137	C	C	.	.	S	Bend	trans	-90.2	-21.5	178.4	-56.8	0	0	0	0	112.3	A587 V589 F592 L624 D627 L631 I908	A587-C629 HydrophobicContact CB-CB 4.34Å; A587-C629 WeakPolarHBondContact CB-O 3.46Å; V589-C629 HydrophobicContact CG2-CB 3.84Å; F592-C629 VanDerWaalsContact CD2-SG 3.57Å; L624-C629 VanDerWaalsContact O-CB 3.27Å; L624-C629 WeakPolarHBondContact O-CB 3.27Å; L624-C629 PolarHBondContact O-N 3.39Å; D627-C629 PolarHBondContact O-N 3.1Å; C629-L631 PolarHBondContact O-N 3.29Å; C629-I908 HydrophobicContact CB-CD1 4.21Å; C629-I908 HydrophobicContact CB-CG1 4.02Å
630	S	96.9	Very high	94.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	-70.7	124.4	-178.8	-175.6	0	0	0	0	110.9	Q555 V557 D627 W632 R637	Q555-S630 VanDerWaalsContact O-CB 3.27Å; Q555-S630 WeakPolarHBondContact O-CB 2.99Å; Q555-S630 PolarHBondContact O-OG 3.1Å; V557-S630 PolarHBondContact N-OG 3.38Å; V557-S630 VanDerWaalsContact N-OG 3.14Å; D627-S630 PolarHBondContact O-N 3.27Å; D627-S630 VanDerWaalsContact O-N 3.1Å; S630-W632 PolarHBondContact O-N 2.67Å; S630-W632 PolarHBondContact OG-NE1 3.36Å; S630-R637 PolarHBondContact O-NE 2.91Å
631	L	97.4	Very high	94.7	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	14%	0.137	C	C	.	.			trans	-75.6	51.3	-175.8	-55.3	-176.5	0	0	0	113.1	V557 A560 A587 C629 R637 I663 S665	V557-L631 HydrophobicContact CB-CB 4.36Å; V557-L631 HydrophobicContact CG1-CB 3.92Å; V557-L631 PolarHBondContact O-N 3.35Å; A560-L631 HydrophobicContact CB-CD1 3.99Å; A587-L631 HydrophobicContact CB-CD2 4.36Å; A587-L631 HydrophobicContact CB-CG 4.36Å; C629-L631 PolarHBondContact O-N 3.29Å; L631-R637 HydrophobicContact CD2-CB 3.61Å; L631-R637 HydrophobicContact CD2-CG 4.2Å; L631-I663 HydrophobicContact CD1-CD1 3.99Å; L631-I663 HydrophobicContact CD2-CD1 4.01Å; L631-I663 HydrophobicContact CG-CD1 4.45Å; L631-S665 WeakPolarHBondContact O-CB 3.1Å
632	W	95.1	Very high	94.9	Very high	68 Å²	68	23 Å²	23	26%	0.258	14%	0.136	S	C	.	.			trans	-52.8	140.3	177.3	-73.3	102.5	0	0	0	112.7	G626 S630 R635 K668	G626-W632 PolarHBondContact O-NE1 2.89Å; S630-W632 PolarHBondContact O-N 2.67Å; S630-W632 PolarHBondContact OG-NE1 3.36Å; W632-R635 HydrophobicContact CB-CG 4.45Å; W632-K668 HydrophobicContact CE3-CD 3.97Å; W632-K668 VanDerWaalsContact CH2-NZ 3.28Å; W632-K668 HydrophobicContact CZ3-CD 3.96Å
633	S	94.3	Very high	95.2	Very high	25 Å²	25	21 Å²	21	18%	0.175	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-64.3	150.3	173.1	53.6	0	0	0	0	112.5	R635 S665 E712	S633-R635 PolarHBondContact O-N 3.01Å; S633-S665 CarbonylContact C-O 3.42Å; S633-S665 WeakPolarHBondContact CA-O 3.33Å; S633-E712 WeakPolarHBondContact CB-OE1 3.26Å; S633-E712 PolarHBondContact OG-OE1 3.33Å
634	G	92.3	Very high	95.5	Very high	48 Å²	48	18.8 Å²	18.8	50%	0.495	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	9.1	-178.6	0	0	0	0	0	114.6	H664 S665	G634-H664 WeakPolarHBondContact CA-NE2 3.43Å; G634-H664 PolarHBondContact O-CE1 3.48Å; G634-H664 VanDerWaalsContact O-CE1 3.27Å; G634-S665 PolarHBondContact N-O 3.29Å
635	R	93	Very high	95.7	Very high	125 Å²	125	20.9 Å²	20.9	47%	0.472	11%	0.112	S	C	.	.	S	Bend	trans	-128.2	144	-176.6	-60.4	-172.4	-173.3	-175.7	3.2	111.8	D627 W632 S633	D627-R635 IonicContact OD1-NH1 2.97Å; D627-R635 PolarHBondContact OD1-NH1 3.02Å; D627-R635 VanDerWaalsContact OD1-NH1 3.12Å; W632-R635 HydrophobicContact CB-CG 4.45Å; S633-R635 PolarHBondContact O-N 3.01Å
636	D	95.4	Very high	95.8	Very high	39 Å²	39	21 Å²	21	21%	0.209	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	131.7	172.5	-66.1	-3.2	0	0	0	110.4	V519 R531 I663 H664	V519-D636 HydrophobicContact CG2-CB 3.44Å; V519-D636 VanDerWaalsContact CG2-CB 3.44Å; R531-D636 IonicContact CZ-OD2 3.28Å; R531-D636 IonicContact NH1-OD2 3.07Å; R531-D636 PolarHBondContact NH1-OD2 3.12Å; D636-I663 CarbonylContact C-O 3.53Å; D636-I663 VanDerWaalsContact CA-O 3.3Å; D636-I663 WeakPolarHBondContact CA-O 3.29Å; D636-H664 IonicContact OD1-CE1 2.78Å; D636-H664 IonicContact OD1-CG 3.88Å; D636-H664 IonicContact OD1-ND1 2.68Å; D636-H664 PolarHBondContact OD1-ND1 3.2Å
637	R	96.4	Very high	95.9	Very high	10 Å²	10	21.2 Å²	21.2	4%	0.038	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	155.3	-178.5	-65.6	-65.1	-168.7	-154.7	-4.6	111.7	D627 L628 S630 L631 I663	D627-R637 PolarHBondContact O-NE 3.28Å; D627-R637 PolarHBondContact O-NH2 2.88Å; D627-R637 IonicContact OD1-CZ 2.7Å; D627-R637 IonicContact OD1-NH1 3.33Å; D627-R637 IonicContact OD1-NH2 3.78Å; D627-R637 PolarHBondContact OD1-NH2 3.26Å; L628-R637 WeakPolarHBondContact O-CD 3.48Å; S630-R637 PolarHBondContact O-NE 2.91Å; L631-R637 HydrophobicContact CD2-CB 3.61Å; L631-R637 HydrophobicContact CD2-CG 4.2Å; R637-I663 HydrophobicContact CB-CG1 4.4Å; R637-I663 PolarHBondContact N-O 2.69Å; R637-I663 PolarHBondContact O-N 3.29Å
638	Y	97.5	Very high	95.7	Very high	3 Å²	3	21.3 Å²	21.3	1%	0.012	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	132.5	171.6	-70.8	-28.1	0	0	0	110.9	W517 V519 D520 E523 D588 Y591 F592 V662	W517-Y638 HydrophobicContact CH2-CD2 4.15Å; W517-Y638 HydrophobicContact CH2-CE2 4.16Å; W517-Y638 HydrophobicContact CH2-CG 4.34Å; W517-Y638 AromaticContact CZ2-CD2 3.68Å; W517-Y638 HydrophobicContact CZ2-CD2 3.68Å; W517-Y638 HydrophobicContact CZ2-CE1 4.45Å; W517-Y638 AromaticContact CZ2-CE2 3.39Å; W517-Y638 HydrophobicContact CZ2-CE2 3.39Å; W517-Y638 HydrophobicContact CZ2-CG 4.3Å; W517-Y638 AromaticContact CZ2-CZ 3.76Å; V519-Y638 HydrophobicContact CG1-CE1 3.7Å; D520-Y638 PolarHBondContact N-OH 3.25Å; E523-Y638 WeakPolarHBondContact CB-OH 3.21Å; E523-Y638 HydrophobicContact CG-CE1 3.96Å; E523-Y638 HydrophobicContact CG-CE2 3.93Å; E523-Y638 WeakPolarHBondContact CG-OH 3.22Å; D588-Y638 PolarHBondContact N-O 2.59Å; Y591-Y638 AromaticContact CD1-CD2 3.79Å; Y591-Y638 HydrophobicContact CD1-CD2 3.79Å; Y591-Y638 HydrophobicContact CD1-CE2 4.07Å; Y591-Y638 AromaticContact CE1-CD2 3.82Å; Y591-Y638 HydrophobicContact CE1-CD2 3.82Å; Y591-Y638 AromaticContact CE1-CE2 3.59Å; Y591-Y638 HydrophobicContact CE1-CE2 3.59Å; Y591-Y638 HydrophobicContact CG-CD2 4.33Å; Y591-Y638 AromaticContact CZ-CE2 3.84Å; F592-Y638 HydrophobicContact CE2-CD2 4.29Å; F592-Y638 AromaticContact CZ-CD2 3.98Å; F592-Y638 HydrophobicContact CZ-CD2 3.98Å; Y638-V662 HydrophobicContact CD1-CG1 4.48Å; Y638-V662 HydrophobicContact CD1-CG2 3.94Å; Y638-V662 HydrophobicContact CE1-CG2 3.82Å
639	A	98.5	Very high	95.5	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	156.8	176.5	0	0	0	0	0	111.6	H585 I586 R660 T661 I663	H585-A639 HydrophobicContact CB-CB 4.16Å; I586-A639 CarbonylContact O-C 3.58Å; I586-A639 WeakPolarHBondContact O-CA 3.49Å; I586-A639 VanDerWaalsContact O-CB 3.29Å; I586-A639 WeakPolarHBondContact O-CB 3.3Å; A639-R660 WeakPolarHBondContact O-CA 3.47Å; A639-T661 PolarHBondContact N-O 2.77Å; A639-T661 VanDerWaalsContact N-O 3.09Å; A639-T661 PolarHBondContact O-N 2.97Å; A639-T661 PolarHBondContact O-OG1 3.37Å; A639-I663 HydrophobicContact CB-CD1 4.05Å; A639-I663 HydrophobicContact CB-CG1 4.26Å; A639-I663 HydrophobicContact CB-CG2 4.25Å
640	V	98.7	Very high	95.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	119	161.3	-174.8	0	0	0	0	105.9	I586 D588 R660 F904 H917 L920 L921	I586-V640 PolarHBondContact N-O 3.29Å; I586-V640 PolarHBondContact O-N 3.37Å; D588-V640 HydrophobicContact CB-CG2 3.91Å; V640-R660 HydrophobicContact CG2-CG 4.48Å; V640-F904 HydrophobicContact CB-CE2 4.19Å; V640-F904 HydrophobicContact CB-CZ 4.23Å; V640-F904 HydrophobicContact CG1-CE2 3.77Å; V640-F904 HydrophobicContact CG1-CZ 3.95Å; V640-H917 WeakPolarHBondContact CG2-ND1 3.31Å; V640-L920 HydrophobicContact CG1-CD2 4.07Å; V640-L921 HydrophobicContact CG1-CD2 4.26Å; V640-L921 HydrophobicContact CG2-CD1 4.16Å
641	S	98.8	Very high	94.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	151.3	-171.4	-57.8	0	0	0	0	112.2	V584 H585 Y658 G659 T661	V584-S641 VanDerWaalsContact O-CA 3.28Å; V584-S641 WeakPolarHBondContact O-CA 3.3Å; H585-S641 WeakPolarHBondContact ND1-CB 3.36Å; H585-S641 PolarHBondContact ND1-OG 3.5Å; S641-Y658 WeakPolarHBondContact O-CA 3.41Å; S641-G659 PolarHBondContact N-O 3.04Å; S641-G659 PolarHBondContact O-N 3.1Å; S641-G659 VanDerWaalsContact O-N 3.17Å; S641-T661 WeakPolarHBondContact OG-CG2 3.17Å; S641-T661 PolarHBondContact OG-OG1 3.31Å
642	V	98.8	Very high	94.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	124.5	166.2	-166.9	0	0	0	0	107.6	V584 W644 I656 W657 Y658 V799 F904	V584-V642 PolarHBondContact N-O 2.9Å; V584-V642 PolarHBondContact O-N 3.26Å; V642-W644 HydrophobicContact CB-CH2 3.5Å; V642-W644 VanDerWaalsContact CB-CH2 3.5Å; V642-W644 HydrophobicContact CB-CZ2 3.85Å; V642-W644 HydrophobicContact CB-CZ3 3.87Å; V642-W644 HydrophobicContact CG1-CD2 4.04Å; V642-W644 HydrophobicContact CG1-CE3 4.22Å; V642-W644 HydrophobicContact CG1-CH2 3.46Å; V642-W644 VanDerWaalsContact CG1-CH2 3.46Å; V642-W644 HydrophobicContact CG1-CZ2 3.24Å; V642-W644 HydrophobicContact CG1-CZ3 3.95Å; V642-W644 HydrophobicContact CG2-CH2 4.38Å; V642-W644 WeakPolarHBondContact O-CZ3 3.47Å; V642-I656 HydrophobicContact CG1-CG2 3.75Å; V642-W657 WeakPolarHBondContact CA-O 3.32Å; V642-Y658 HydrophobicContact CB-CD1 4.3Å; V642-Y658 HydrophobicContact CB-CE1 4.44Å; V642-Y658 HydrophobicContact CG1-CD1 3.72Å; V642-Y658 HydrophobicContact CG1-CE1 3.51Å; V642-Y658 HydrophobicContact CG2-CD1 3.82Å; V642-Y658 HydrophobicContact CG2-CE1 4.1Å; V642-V799 HydrophobicContact CG2-CG2 3.72Å; V642-F904 HydrophobicContact CG2-CE1 3.84Å; V642-F904 HydrophobicContact CG2-CZ 4.09Å
643	L	98.6	Very high	94.3	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.016	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	118.3	-179.9	-55.2	175.4	0	0	0	108.4	L582 I656 W657	L582-L643 CarbonylContact O-C 3.56Å; L582-L643 WeakPolarHBondContact O-CA 3.44Å; L643-I656 CarbonylContact O-C 3.53Å; L643-I656 WeakPolarHBondContact O-CA 3.44Å; L643-W657 HydrophobicContact CB-CB 4.29Å; L643-W657 HydrophobicContact CB-CE3 4.45Å; L643-W657 HydrophobicContact CD1-CD2 4.34Å; L643-W657 HydrophobicContact CD1-CE3 3.66Å; L643-W657 HydrophobicContact CD1-CZ3 4.15Å; L643-W657 HydrophobicContact CG-CE3 3.9Å; L643-W657 HydrophobicContact CG-CZ3 4.47Å; L643-W657 PolarHBondContact N-O 3.04Å; L643-W657 PolarHBondContact O-N 3.32Å
644	W	98.4	Very high	94.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	136.7	174.4	-61	-92.8	0	0	0	109.9	Q581 L582 V584 V642 I646 I653 N655 I656 F794 A795 W798	Q581-W644 CarbonylContact C-O 3.6Å; Q581-W644 VanDerWaalsContact CA-O 3.29Å; Q581-W644 WeakPolarHBondContact CA-O 3.28Å; L582-W644 HydrophobicContact CB-CE3 4.38Å; L582-W644 HydrophobicContact CD2-CE3 3.93Å; L582-W644 HydrophobicContact CD2-CZ3 4.34Å; L582-W644 HydrophobicContact CG-CE3 4.06Å; L582-W644 HydrophobicContact CG-CZ3 4.48Å; L582-W644 PolarHBondContact N-O 2.97Å; L582-W644 PolarHBondContact O-N 3.23Å; V584-W644 HydrophobicContact CB-CH2 4.25Å; V584-W644 HydrophobicContact CB-CZ3 3.96Å; V584-W644 HydrophobicContact CG2-CH2 4.16Å; V584-W644 HydrophobicContact CG2-CZ3 3.74Å; V642-W644 HydrophobicContact CB-CH2 3.5Å; V642-W644 VanDerWaalsContact CB-CH2 3.5Å; V642-W644 HydrophobicContact CB-CZ2 3.85Å; V642-W644 HydrophobicContact CB-CZ3 3.87Å; V642-W644 HydrophobicContact CG1-CD2 4.04Å; V642-W644 HydrophobicContact CG1-CE3 4.22Å; V642-W644 HydrophobicContact CG1-CH2 3.46Å; V642-W644 VanDerWaalsContact CG1-CH2 3.46Å; V642-W644 HydrophobicContact CG1-CZ2 3.24Å; V642-W644 HydrophobicContact CG1-CZ3 3.95Å; V642-W644 HydrophobicContact CG2-CH2 4.38Å; V642-W644 WeakPolarHBondContact O-CZ3 3.47Å; W644-I646 HydrophobicContact CB-CD1 4.49Å; W644-I646 HydrophobicContact CB-CG1 4.07Å; W644-I653 HydrophobicContact CB-CG2 4.41Å; W644-I653 HydrophobicContact CG-CD1 4.46Å; W644-N655 WeakPolarHBondContact CA-O 3.36Å; W644-I656 HydrophobicContact CG-CG2 4.38Å; W644-F794 AromaticContact CD1-CE1 3.93Å; W644-F794 HydrophobicContact CD2-CD1 4.13Å; W644-F794 AromaticContact CD2-CE1 3.72Å; W644-F794 HydrophobicContact CD2-CE1 3.72Å; W644-F794 AromaticContact CE2-CD1 3.82Å; W644-F794 AromaticContact CE2-CE1 3.6Å; W644-F794 HydrophobicContact CE3-CD1 4.39Å; W644-F794 HydrophobicContact CE3-CE1 4.29Å; W644-F794 AromaticContact CG-CE1 3.92Å; W644-F794 HydrophobicContact CG-CE1 3.92Å; W644-F794 HydrophobicContact CH2-CD1 4.1Å; W644-F794 AromaticContact CZ2-CD1 3.79Å; W644-F794 HydrophobicContact CZ2-CD1 3.79Å; W644-F794 HydrophobicContact CZ2-CE1 4.07Å; W644-F794 HydrophobicContact CZ3-CD1 4.39Å; W644-F794 AromaticContact NE1-CE1 3.73Å; W644-A795 HydrophobicContact CH2-CB 3.75Å; W644-A795 HydrophobicContact CZ2-CB 4.42Å; W644-W798 AromaticContact CE2-CD1 3.74Å; W644-W798 HydrophobicContact CZ2-CB 3.95Å; W644-W798 AromaticContact CZ2-CD1 3.84Å; W644-W798 HydrophobicContact CZ2-CG 4.14Å; W644-W798 AromaticContact NE1-CD1 3.2Å; W644-W798 AromaticContact NE1-CD2 3.89Å; W644-W798 AromaticContact NE1-CG 3.36Å; W644-W798 AromaticContact NE1-NE1 3.65Å
645	E	97.1	Very high	94.2	Very high	44 Å²	44	35.5 Å²	35.5	21%	0.206	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	115.5	161.8	-60.8	-176.7	174	0	0	108.1	L566 R579 L580 I653 S654 N655	L566-E645 HydrophobicContact CD1-CB 4.5Å; L566-E645 HydrophobicContact CD1-CG 3.94Å; R579-E645 IonicContact CZ-OE2 2.81Å; R579-E645 IonicContact NH2-OE1 3.64Å; R579-E645 IonicContact NH2-OE2 3.72Å; R579-E645 PolarHBondContact NH2-OE2 3.41Å; L580-E645 WeakPolarHBondContact O-CA 3.45Å; E645-I653 CarbonylContact O-C 3.47Å; E645-I653 WeakPolarHBondContact O-CA 3.42Å; E645-S654 PolarHBondContact O-N 2.9Å; E645-N655 HydrophobicContact CB-CB 4.11Å; E645-N655 HydrophobicContact CG-CB 4.12Å; E645-N655 PolarHBondContact N-O 2.63Å
646	I	95.4	Very high	94.4	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	126.6	-176.8	-53.3	175	0	0	0	107.8	R579 L580 L582 W644 M648 F651 I738	R579-I646 WeakPolarHBondContact CA-O 3.42Å; L580-I646 PolarHBondContact N-O 3.21Å; L580-I646 PolarHBondContact O-N 3.01Å; L582-I646 HydrophobicContact CB-CD1 3.97Å; L582-I646 HydrophobicContact CD2-CD1 4.2Å; W644-I646 HydrophobicContact CB-CD1 4.49Å; W644-I646 HydrophobicContact CB-CG1 4.07Å; I646-M648 HydrophobicContact CB-SD 4.45Å; I646-M648 HydrophobicContact CG2-SD 4.03Å; I646-F651 HydrophobicContact CG2-CD2 4.15Å; I646-F651 HydrophobicContact CG2-CE2 4.44Å; I646-F651 HydrophobicContact CG2-CG 4.41Å; I646-I738 HydrophobicContact CD1-CG2 4.19Å
647	D	92.1	Very high	94.6	Very high	22 Å²	22	33.1 Å²	33.1	12%	0.118	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	114.9	164.8	169.2	1.4	0	0	0	107.7	H577 D649 S650 F651 D652	H577-D647 IonicContact ND1-OD2 3.81Å; D647-D649 VanDerWaalsContact C-N 3.28Å; D647-D649 PolarHBondContact O-N 3.02Å; D647-D649 WeakPolarHBondContact OD1-CB 3.49Å; D647-D649 PolarHBondContact OD1-N 3.36Å; D647-S650 WeakPolarHBondContact CB-OG 3.34Å; D647-S650 PolarHBondContact OD1-N 2.84Å; D647-S650 PolarHBondContact OD2-OG 3.39Å; D647-F651 WeakPolarHBondContact O-CA 3.46Å; D647-F651 PolarHBondContact O-N 3.1Å; D647-D652 PolarHBondContact N-O 3.38Å
648	M	88.7	Confident	94.7	Very high	51 Å²	51	34 Å²	34	25%	0.251	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-13.1	-174.2	-64.8	-61	-69	0	0	113.5	W565 K578 L580 I646	W565-M648 HydrophobicContact CH2-CG 4.01Å; W565-M648 HydrophobicContact CZ3-CB 4.38Å; W565-M648 HydrophobicContact CZ3-CG 3.75Å; K578-M648 HydrophobicContact CB-CB 4.2Å; K578-M648 PolarHBondContact O-N 3.02Å; L580-M648 HydrophobicContact CB-CG 3.73Å; L580-M648 HydrophobicContact CB-SD 3.76Å; L580-M648 HydrophobicContact CD2-CE 4.1Å; L580-M648 HydrophobicContact CD2-CG 4.48Å; L580-M648 HydrophobicContact CD2-SD 3.7Å; L580-M648 HydrophobicContact CG-SD 4.39Å; I646-M648 HydrophobicContact CB-SD 4.45Å; I646-M648 HydrophobicContact CG2-SD 4.03Å
649	D	86.5	Confident	94.6	Very high	83 Å²	83	34.1 Å²	34.1	44%	0.444	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-35.5	177.5	-64.8	-57.3	0	0	0	111.5	H577 K578 D647	H577-D649 WeakPolarHBondContact CA-OD2 3.5Å; K578-D649 PolarHBondContact N-OD2 3.03Å; D647-D649 VanDerWaalsContact C-N 3.28Å; D647-D649 PolarHBondContact O-N 3.02Å; D647-D649 WeakPolarHBondContact OD1-CB 3.49Å; D647-D649 PolarHBondContact OD1-N 3.36Å
650	S	86.8	Confident	94.6	Very high	41 Å²	41	34.5 Å²	34.5	29%	0.287	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-23.3	175.6	59.8	0	0	0	0	113.6	D647 D652 R745	D647-S650 WeakPolarHBondContact CB-OG 3.34Å; D647-S650 PolarHBondContact OD1-N 2.84Å; D647-S650 PolarHBondContact OD2-OG 3.39Å; S650-D652 PolarHBondContact O-N 2.86Å; S650-D652 WeakPolarHBondContact OG-CB 3.39Å; S650-D652 PolarHBondContact OG-N 3.04Å; S650-R745 PolarHBondContact O-NH2 3.17Å; S650-R745 VanDerWaalsContact O-NH2 3.1Å
651	F	90.4	Very high	94.6	Very high	19 Å²	19	34.5 Å²	34.5	8%	0.083	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	31.5	-165.5	-157.4	-93.1	0	0	0	112.5	I646 D647 I738 N741 V742 R745	I646-F651 HydrophobicContact CG2-CD2 4.15Å; I646-F651 HydrophobicContact CG2-CE2 4.44Å; I646-F651 HydrophobicContact CG2-CG 4.41Å; D647-F651 WeakPolarHBondContact O-CA 3.46Å; D647-F651 PolarHBondContact O-N 3.1Å; F651-I738 HydrophobicContact CE2-CB 4.5Å; F651-I738 HydrophobicContact CE2-CG2 4.21Å; F651-I738 HydrophobicContact CZ-CB 4.48Å; F651-I738 HydrophobicContact CZ-CG2 3.85Å; F651-N741 HydrophobicContact CD1-CB 4.45Å; F651-N741 VanDerWaalsContact CD1-OD1 3.27Å; F651-N741 WeakPolarHBondContact CD1-OD1 3.48Å; F651-N741 HydrophobicContact CD2-CB 4.27Å; F651-N741 HydrophobicContact CE1-CB 3.93Å; F651-N741 WeakPolarHBondContact CE1-OD1 3.25Å; F651-N741 HydrophobicContact CE2-CB 3.73Å; F651-N741 HydrophobicContact CZ-CB 3.54Å; F651-V742 HydrophobicContact CE1-CG2 3.76Å; F651-V742 HydrophobicContact CZ-CG2 3.82Å; F651-R745 PolarHBondContact O-NH1 2.96Å; F651-R745 VanDerWaalsContact O-NH1 3.15Å
652	D	90.7	Very high	94.5	Very high	97 Å²	97	34.5 Å²	34.5	52%	0.519	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	149.9	172.2	-70.5	-28	0	0	0	110.8	D647 S650 S654	D647-D652 PolarHBondContact N-O 3.38Å; S650-D652 PolarHBondContact O-N 2.86Å; S650-D652 WeakPolarHBondContact OG-CB 3.39Å; S650-D652 PolarHBondContact OG-N 3.04Å; D652-S654 PolarHBondContact O-N 2.88Å
653	I	93.2	Very high	94.5	Very high	46 Å²	46	34.6 Å²	34.6	24%	0.236	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	112	178.8	-58.3	-178.8	0	0	0	108.5	W644 E645 N655 I656 F794 W798	W644-I653 HydrophobicContact CB-CG2 4.41Å; W644-I653 HydrophobicContact CG-CD1 4.46Å; E645-I653 CarbonylContact O-C 3.47Å; E645-I653 WeakPolarHBondContact O-CA 3.42Å; I653-N655 WeakPolarHBondContact CG2-O 3.47Å; I653-I656 HydrophobicContact CG2-CD1 3.91Å; I653-I656 HydrophobicContact CG2-CG1 3.49Å; I653-I656 VanDerWaalsContact CG2-CG1 3.49Å; I653-F794 HydrophobicContact CD1-CE1 4.1Å; I653-F794 HydrophobicContact CD1-CE2 4.19Å; I653-F794 HydrophobicContact CD1-CZ 3.37Å; I653-F794 HydrophobicContact CG1-CZ 4.33Å; I653-W798 HydrophobicContact CD1-CD2 4.38Å; I653-W798 HydrophobicContact CD1-CH2 4.04Å; I653-W798 HydrophobicContact CD1-CZ2 3.16Å; I653-W798 VanDerWaalsContact CD1-NE1 3.34Å; I653-W798 HydrophobicContact CG1-CZ2 4.3Å
654	S	90.2	Very high	94.4	Very high	76 Å²	76	36 Å²	36	53%	0.531	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	-40.3	179.5	-48.3	0	0	0	0	112.2	E645 D652	E645-S654 PolarHBondContact O-N 2.9Å; D652-S654 PolarHBondContact O-N 2.88Å
655	N	93.7	Very high	94.3	Very high	84 Å²	84	36.1 Å²	36.1	45%	0.449	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	152.3	-177.4	-166.7	0.3	0	0	0	110.8	W644 E645 I653	W644-N655 WeakPolarHBondContact CA-O 3.36Å; E645-N655 HydrophobicContact CB-CB 4.11Å; E645-N655 HydrophobicContact CG-CB 4.12Å; E645-N655 PolarHBondContact N-O 2.63Å; I653-N655 WeakPolarHBondContact CG2-O 3.47Å
656	I	97.6	Very high	94.3	Very high	36 Å²	36	35.6 Å²	35.6	19%	0.185	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	123.9	174.8	-41.7	179.2	0	0	0	108.8	V642 L643 W644 I653 Y658 W798	V642-I656 HydrophobicContact CG1-CG2 3.75Å; L643-I656 CarbonylContact O-C 3.53Å; L643-I656 WeakPolarHBondContact O-CA 3.44Å; W644-I656 HydrophobicContact CG-CG2 4.38Å; I653-I656 HydrophobicContact CG2-CD1 3.91Å; I653-I656 HydrophobicContact CG2-CG1 3.49Å; I653-I656 VanDerWaalsContact CG2-CG1 3.49Å; I656-Y658 HydrophobicContact CB-CE2 3.93Å; I656-Y658 HydrophobicContact CG2-CD2 4.22Å; I656-Y658 HydrophobicContact CG2-CE1 4.03Å; I656-Y658 HydrophobicContact CG2-CE2 3.52Å; I656-Y658 VanDerWaalsContact CG2-CZ 3.4Å; I656-Y658 WeakPolarHBondContact CG2-OH 3.29Å; I656-W798 HydrophobicContact CD1-CD2 3.6Å; I656-W798 HydrophobicContact CD1-CE3 3.14Å; I656-W798 HydrophobicContact CD1-CG 4.35Å; I656-W798 HydrophobicContact CD1-CH2 3.87Å; I656-W798 HydrophobicContact CD1-CZ2 4.31Å; I656-W798 HydrophobicContact CD1-CZ3 3.27Å
657	W	98.3	Very high	94.3	Very high	78 Å²	78	36.6 Å²	36.6	30%	0.295	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	134.6	172.2	-177.5	92.6	0	0	0	109.9	R528 V642 L643 T661	R528-W657 HydrophobicContact CB-CH2 3.68Å; R528-W657 HydrophobicContact CB-CZ2 3.77Å; R528-W657 HydrophobicContact CG-CH2 4.39Å; R528-W657 HydrophobicContact CG-CZ2 4.4Å; V642-W657 WeakPolarHBondContact CA-O 3.32Å; L643-W657 HydrophobicContact CB-CB 4.29Å; L643-W657 HydrophobicContact CB-CE3 4.45Å; L643-W657 HydrophobicContact CD1-CD2 4.34Å; L643-W657 HydrophobicContact CD1-CE3 3.66Å; L643-W657 HydrophobicContact CD1-CZ3 4.15Å; L643-W657 HydrophobicContact CG-CE3 3.9Å; L643-W657 HydrophobicContact CG-CZ3 4.47Å; L643-W657 PolarHBondContact N-O 3.04Å; L643-W657 PolarHBondContact O-N 3.32Å; W657-T661 HydrophobicContact CH2-CG2 3.72Å; W657-T661 HydrophobicContact CZ3-CG2 3.64Å
658	Y	98.2	Very high	94.5	Very high	28 Å²	28	37.4 Å²	37.4	11%	0.11	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	141.4	174	-54.2	-93.2	0	0	0	108.2	S641 V642 I656 W798 V799 R802 L920 L924	S641-Y658 WeakPolarHBondContact O-CA 3.41Å; V642-Y658 HydrophobicContact CB-CD1 4.3Å; V642-Y658 HydrophobicContact CB-CE1 4.44Å; V642-Y658 HydrophobicContact CG1-CD1 3.72Å; V642-Y658 HydrophobicContact CG1-CE1 3.51Å; V642-Y658 HydrophobicContact CG2-CD1 3.82Å; V642-Y658 HydrophobicContact CG2-CE1 4.1Å; I656-Y658 HydrophobicContact CB-CE2 3.93Å; I656-Y658 HydrophobicContact CG2-CD2 4.22Å; I656-Y658 HydrophobicContact CG2-CE1 4.03Å; I656-Y658 HydrophobicContact CG2-CE2 3.52Å; I656-Y658 VanDerWaalsContact CG2-CZ 3.4Å; I656-Y658 WeakPolarHBondContact CG2-OH 3.29Å; Y658-W798 PolarHBondContact OH-O 3.45Å; Y658-V799 HydrophobicContact CD1-CG2 4.36Å; Y658-V799 HydrophobicContact CE1-CG2 4.14Å; Y658-R802 HydrophobicContact CD2-CG 4.42Å; Y658-R802 HydrophobicContact CE1-CB 4.39Å; Y658-R802 HydrophobicContact CE2-CB 4.33Å; Y658-R802 HydrophobicContact CE2-CG 4.29Å; Y658-L920 HydrophobicContact CD1-CD1 3.86Å; Y658-L920 HydrophobicContact CD1-CD2 4.28Å; Y658-L920 HydrophobicContact CG-CD1 4.09Å; Y658-L924 WeakPolarHBondContact O-CD1 3.49Å
659	G	97.1	Very high	94.8	Very high	6 Å²	6	35.1 Å²	35.1	6%	0.062	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.3	-176.3	171.6	0	0	0	0	0	114	S641	S641-G659 PolarHBondContact N-O 3.04Å; S641-G659 PolarHBondContact O-N 3.1Å; S641-G659 VanDerWaalsContact O-N 3.17Å
660	R	97.9	Very high	95.2	Very high	9 Å²	9	33.2 Å²	33.2	3%	0.034	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	135.5	177.1	-76.7	179.2	159.7	122.6	0.4	111.3	R527 R528 D588 S590 A639 V640 L921 D926	R527-R660 WeakPolarHBondContact CA-O 3.31Å; R527-R660 HydrophobicContact CG-CB 3.82Å; R528-R660 PolarHBondContact N-O 2.85Å; D588-R660 IonicContact OD1-NE 3.82Å; D588-R660 IonicContact OD1-NH2 3.75Å; D588-R660 WeakPolarHBondContact OD2-CD 3.32Å; D588-R660 IonicContact OD2-CZ 2.7Å; D588-R660 IonicContact OD2-NE 2.63Å; D588-R660 PolarHBondContact OD2-NE 3.34Å; D588-R660 IonicContact OD2-NH2 3.73Å; S590-R660 PolarHBondContact OG-NH2 2.85Å; A639-R660 WeakPolarHBondContact O-CA 3.47Å; V640-R660 HydrophobicContact CG2-CG 4.48Å; R660-L921 HydrophobicContact CG-CD2 3.76Å; R660-L921 VanDerWaalsContact CZ-CD1 3.43Å; R660-L921 VanDerWaalsContact NH2-CD1 3.31Å; R660-D926 WeakPolarHBondContact CD-OD2 3.48Å; R660-D926 IonicContact CZ-OD2 2.71Å; R660-D926 IonicContact NE-OD2 3.27Å; R660-D926 IonicContact NH1-OD1 2.69Å; R660-D926 PolarHBondContact NH1-OD1 3.31Å; R660-D926 IonicContact NH1-OD2 3.17Å; R660-D926 PolarHBondContact NH1-OD2 2.87Å
661	T	98	Very high	95.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	160.3	178.2	57.5	0	0	0	0	110.9	R527 R528 L530 A639 S641 W657	R527-T661 PolarHBondContact NH1-O 2.83Å; R528-T661 HydrophobicContact CB-CG2 4.19Å; R528-T661 WeakPolarHBondContact O-CA 3.37Å; R528-T661 WeakPolarHBondContact O-CB 3.48Å; L530-T661 HydrophobicContact CD1-CG2 3.78Å; L530-T661 HydrophobicContact CG-CG2 4.04Å; A639-T661 PolarHBondContact N-O 2.77Å; A639-T661 VanDerWaalsContact N-O 3.09Å; A639-T661 PolarHBondContact O-N 2.97Å; A639-T661 PolarHBondContact O-OG1 3.37Å; S641-T661 WeakPolarHBondContact OG-CG2 3.17Å; S641-T661 PolarHBondContact OG-OG1 3.31Å; W657-T661 HydrophobicContact CH2-CG2 3.72Å; W657-T661 HydrophobicContact CZ3-CG2 3.64Å
662	V	97.7	Very high	95.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	128.2	161.1	-169.5	0	0	0	0	106.8	V519 V524 R527 R528 L530 Y638	V519-V662 HydrophobicContact CG1-CG1 3.9Å; V519-V662 HydrophobicContact CG1-CG2 4.4Å; V519-V662 HydrophobicContact CG2-CG1 4.17Å; V524-V662 HydrophobicContact CG2-CG2 4.3Å; R527-V662 HydrophobicContact CB-CG2 3.79Å; R527-V662 HydrophobicContact CG-CG2 4.33Å; R528-V662 PolarHBondContact O-N 2.92Å; R528-V662 VanDerWaalsContact O-N 3.07Å; L530-V662 PolarHBondContact N-O 3.26Å; Y638-V662 HydrophobicContact CD1-CG1 4.48Å; Y638-V662 HydrophobicContact CD1-CG2 3.94Å; Y638-V662 HydrophobicContact CE1-CG2 3.82Å
663	I	97.8	Very high	95.8	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	154.6	-175.9	68.6	167.4	0	0	0	110.5	L530 I546 A560 H585 L631 D636 R637 A639	L530-I663 HydrophobicContact CB-CG2 4.36Å; L530-I663 HydrophobicContact CD1-CG2 4.15Å; I546-I663 HydrophobicContact CD1-CB 3.67Å; I546-I663 HydrophobicContact CD1-CG2 3.59Å; I546-I663 HydrophobicContact CG2-CD1 4.18Å; A560-I663 HydrophobicContact CB-CD1 4.42Å; H585-I663 HydrophobicContact CB-CD1 4.05Å; H585-I663 HydrophobicContact CB-CG2 4.49Å; L631-I663 HydrophobicContact CD1-CD1 3.99Å; L631-I663 HydrophobicContact CD2-CD1 4.01Å; L631-I663 HydrophobicContact CG-CD1 4.45Å; D636-I663 CarbonylContact C-O 3.53Å; D636-I663 VanDerWaalsContact CA-O 3.3Å; D636-I663 WeakPolarHBondContact CA-O 3.29Å; R637-I663 HydrophobicContact CB-CG1 4.4Å; R637-I663 PolarHBondContact N-O 2.69Å; R637-I663 PolarHBondContact O-N 3.29Å; A639-I663 HydrophobicContact CB-CD1 4.05Å; A639-I663 HydrophobicContact CB-CG1 4.26Å; A639-I663 HydrophobicContact CB-CG2 4.25Å
664	H	97.3	Very high	95.9	Very high	33 Å²	33	29.5 Å²	29.5	15%	0.153	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	102.5	167.8	-173.4	98.3	0	0	0	107.4	R531 G634 D636 S666	R531-H664 HydrophobicContact CB-CB 4.44Å; R531-H664 HydrophobicContact CG-CB 3.87Å; G634-H664 WeakPolarHBondContact CA-NE2 3.43Å; G634-H664 PolarHBondContact O-CE1 3.48Å; G634-H664 VanDerWaalsContact O-CE1 3.27Å; D636-H664 IonicContact OD1-CE1 2.78Å; D636-H664 IonicContact OD1-CG 3.88Å; D636-H664 IonicContact OD1-ND1 2.68Å; D636-H664 PolarHBondContact OD1-ND1 3.2Å; H664-S666 PolarHBondContact O-N 3Å
665	S	96.5	Very high	96.1	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.014	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	117.6	177.8	-175.6	0	0	0	0	108.2	L631 S633 G634 Y667	L631-S665 WeakPolarHBondContact O-CB 3.1Å; S633-S665 CarbonylContact C-O 3.42Å; S633-S665 WeakPolarHBondContact CA-O 3.33Å; G634-S665 PolarHBondContact N-O 3.29Å; S665-Y667 PolarHBondContact OG-O 3.24Å
666	S	95.5	Very high	96	Very high	33 Å²	33	27.6 Å²	27.6	23%	0.231	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	-33.1	-176.4	-59.8	0	0	0	0	111.9	I546 H664 E712	I546-S666 WeakPolarHBondContact O-CB 3.21Å; I546-S666 PolarHBondContact O-N 3.03Å; H664-S666 PolarHBondContact O-N 3Å; S666-E712 WeakPolarHBondContact O-CG 3.37Å
667	Y	96.4	Very high	95.7	Very high	23 Å²	23	25.9 Å²	25.9	9%	0.09	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	146.6	-178.3	-52.6	-75.3	0	0	0	111	L545 F547 S548 S665 I710 E712 L713 A724 L728	L545-Y667 HydrophobicContact CD1-CD2 4.13Å; L545-Y667 HydrophobicContact CD1-CE2 3.81Å; F547-Y667 VanDerWaalsContact CA-O 3.29Å; F547-Y667 WeakPolarHBondContact CA-O 3.38Å; F547-Y667 HydrophobicContact CB-CD2 4.27Å; F547-Y667 VanDerWaalsContact CB-O 3.25Å; F547-Y667 WeakPolarHBondContact CB-O 3.26Å; S548-Y667 PolarHBondContact N-O 3.48Å; S665-Y667 PolarHBondContact OG-O 3.24Å; Y667-I710 HydrophobicContact CD1-CG2 3.72Å; Y667-I710 HydrophobicContact CE1-CG2 4.19Å; Y667-E712 HydrophobicContact CD1-CB 3.91Å; Y667-E712 HydrophobicContact CD1-CG 4.41Å; Y667-E712 HydrophobicContact CE1-CB 4.09Å; Y667-L713 HydrophobicContact CE1-CD2 3.8Å; Y667-L713 HydrophobicContact CE1-CG 4.27Å; Y667-A724 WeakPolarHBondContact OH-CB 3.41Å; Y667-L728 HydrophobicContact CD2-CD1 3.9Å; Y667-L728 HydrophobicContact CD2-CD2 4.1Å; Y667-L728 HydrophobicContact CE2-CD1 4.35Å; Y667-L728 HydrophobicContact CE2-CD2 4.35Å; Y667-L728 HydrophobicContact CG-CD2 4.26Å
668	K	95.3	Very high	95.4	Very high	40 Å²	40	24.4 Å²	24.4	17%	0.174	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	103.3	167.2	176.4	173.8	177.2	167.3	0	108.8	C554 V557 W632 E712	C554-K668 PolarHBondContact O-NZ 3.32Å; V557-K668 HydrophobicContact CG2-CD 4.11Å; W632-K668 HydrophobicContact CE3-CD 3.97Å; W632-K668 VanDerWaalsContact CH2-NZ 3.28Å; W632-K668 HydrophobicContact CZ3-CD 3.96Å; K668-E712 PolarHBondContact N-OE1 2.99Å
669	L	96.5	Very high	95	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.01	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	147.1	-175.1	-54.4	-180	0	0	0	111	F547 S548 I549 D550 L673 A674 I677 I710 L728 I732	F547-L669 HydrophobicContact CD2-CD1 4.01Å; F547-L669 HydrophobicContact CE2-CD1 4.28Å; S548-L669 PolarHBondContact O-N 3.11Å; I549-L669 CarbonylContact C-O 3.59Å; I549-L669 VanDerWaalsContact CA-O 3.31Å; I549-L669 WeakPolarHBondContact CA-O 3.49Å; I549-L669 HydrophobicContact CG1-CB 4.34Å; D550-L669 PolarHBondContact N-O 3.44Å; L669-L673 HydrophobicContact CD2-CD2 4.05Å; L669-A674 HydrophobicContact CB-CB 4.41Å; L669-A674 HydrophobicContact CD1-CB 4.34Å; L669-I677 HydrophobicContact CD1-CD1 4.32Å; L669-I710 HydrophobicContact CD2-CD1 4.48Å; L669-I710 HydrophobicContact CD2-CG1 4.37Å; L669-L728 HydrophobicContact CD1-CD1 4.19Å; L669-L728 HydrophobicContact CD1-CD2 4.19Å; L669-L728 HydrophobicContact CD2-CD2 4.37Å; L669-I732 HydrophobicContact CD1-CD1 3.99Å
670	T	94.8	Very high	94.3	Very high	44 Å²	44	26.7 Å²	26.7	27%	0.27	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	153.4	163.3	57.6	0	0	0	0	110.7	D550 P552 E672 L673 A674	D550-T670 VanDerWaalsContact O-CA 3.23Å; D550-T670 WeakPolarHBondContact O-CA 3.42Å; P552-T670 HydrophobicContact CB-CG2 4.36Å; T670-E672 VanDerWaalsContact C-N 3.25Å; T670-E672 PolarHBondContact O-N 3.34Å; T670-L673 PolarHBondContact O-N 3.29Å; T670-L673 VanDerWaalsContact O-N 3.1Å; T670-L673 WeakPolarHBondContact OG1-CB 3.32Å; T670-L673 PolarHBondContact OG1-N 2.78Å; T670-A674 PolarHBondContact O-N 2.85Å
671	Y	94.4	Very high	93.4	Very high	34 Å²	34	28.6 Å²	28.6	13%	0.133	14%	0.138	C	C	.	.	H	α-helix	trans	-50.9	-43.8	173.7	-71.6	-69.3	0	0	0	113.1	I549 D550 P551 L673 A674 Q675 M784 H785 V788	I549-Y671 HydrophobicContact CG2-CD1 3.56Å; I549-Y671 HydrophobicContact CG2-CE1 3.84Å; I549-Y671 HydrophobicContact CG2-CG 4.17Å; D550-Y671 PolarHBondContact O-N 2.92Å; P551-Y671 HydrophobicContact CG-CD2 4.44Å; P551-Y671 HydrophobicContact CG-CE2 3.86Å; Y671-L673 PolarHBondContact O-N 3.29Å; Y671-A674 PolarHBondContact O-N 3Å; Y671-Q675 VanDerWaalsContact O-CB 3.32Å; Y671-Q675 WeakPolarHBondContact O-CB 3.39Å; Y671-Q675 PolarHBondContact O-N 3.36Å; Y671-M784 HydrophobicContact CD1-CB 3.96Å; Y671-H785 AromaticContact CD1-CD2 3.72Å; Y671-H785 AromaticContact CD1-CG 3.99Å; Y671-H785 AromaticContact CD2-CD2 3.62Å; Y671-H785 AromaticContact CD2-NE2 3.32Å; Y671-H785 VanDerWaalsContact CD2-NE2 3.32Å; Y671-H785 WeakPolarHBondContact CD2-NE2 3.44Å; Y671-H785 AromaticContact CE1-CD2 3.83Å; Y671-H785 AromaticContact CE2-CD2 3.69Å; Y671-H785 AromaticContact CE2-NE2 3.82Å; Y671-H785 AromaticContact CG-CD2 3.63Å; Y671-H785 AromaticContact CG-CE1 3.87Å; Y671-H785 AromaticContact CG-NE2 3.45Å; Y671-H785 AromaticContact CZ-CD2 3.83Å; Y671-V788 HydrophobicContact CE1-CB 4.12Å; Y671-V788 HydrophobicContact CE1-CG2 3.9Å
672	E	92.8	Very high	92.4	Very high	87 Å²	87	31.2 Å²	31.2	41%	0.407	16%	0.155	S	C	.	.	H	α-helix	trans	-65.9	-39.1	-179.3	-61.6	77.8	-173.4	0	0	111.8	T670 R676 L782	T670-E672 VanDerWaalsContact C-N 3.25Å; T670-E672 PolarHBondContact O-N 3.34Å; E672-R676 VanDerWaalsContact O-CG 3.32Å; E672-R676 WeakPolarHBondContact O-CG 3.32Å; E672-R676 PolarHBondContact O-N 3.33Å; E672-L782 HydrophobicContact CG-CD1 4.23Å
673	L	93.3	Very high	90.9	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-69.9	-44.8	176.6	-179.3	57.5	0	0	0	111.8	L669 T670 Y671 Q675 R676 I677 F696 D709 I710	L669-L673 HydrophobicContact CD2-CD2 4.05Å; T670-L673 PolarHBondContact O-N 3.29Å; T670-L673 VanDerWaalsContact O-N 3.1Å; T670-L673 WeakPolarHBondContact OG1-CB 3.32Å; T670-L673 PolarHBondContact OG1-N 2.78Å; Y671-L673 PolarHBondContact O-N 3.29Å; L673-Q675 VanDerWaalsContact C-N 3.26Å; L673-Q675 PolarHBondContact O-N 3.28Å; L673-R676 PolarHBondContact O-N 2.82Å; L673-I677 HydrophobicContact CG-CD1 4.36Å; L673-I677 WeakPolarHBondContact O-CG1 3.36Å; L673-I677 PolarHBondContact O-N 3.4Å; L673-F696 HydrophobicContact CD1-CZ 4.22Å; L673-D709 HydrophobicContact CD1-CB 4.16Å; L673-D709 HydrophobicContact CD2-CB 4.26Å; L673-I710 HydrophobicContact CD1-CG1 4.5Å; L673-I710 HydrophobicContact CD2-CD1 4.39Å; L673-I710 HydrophobicContact CD2-CG1 3.65Å; L673-I710 HydrophobicContact CG-CG1 4.45Å
674	A	95	Very high	88.8	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.4	-38.8	174.7	0	0	0	0	0	111.2	I549 L669 T670 Y671 I677 Y678 M784	I549-A674 HydrophobicContact CD1-CB 3.99Å; I549-A674 HydrophobicContact CG1-CB 4.27Å; I549-A674 HydrophobicContact CG2-CB 3.96Å; L669-A674 HydrophobicContact CB-CB 4.41Å; L669-A674 HydrophobicContact CD1-CB 4.34Å; T670-A674 PolarHBondContact O-N 2.85Å; Y671-A674 PolarHBondContact O-N 3Å; A674-I677 PolarHBondContact O-N 2.89Å; A674-Y678 WeakPolarHBondContact O-CB 3.05Å; A674-Y678 PolarHBondContact O-N 3.45Å; A674-M784 HydrophobicContact CB-CB 4.46Å; A674-M784 HydrophobicContact CB-CG 3.73Å; A674-M784 HydrophobicContact CB-SD 3.78Å
675	Q	94.8	Very high	86.5	Confident	21 Å²	21	46.2 Å²	46.2	10%	0.098	24%	0.242	C	C	.	.	H	α-helix	trans	-64.4	-46	175.8	-173.4	68	50.9	0	0	110.9	Y671 L673 I677 Y678 D679 L782 M784	Y671-Q675 VanDerWaalsContact O-CB 3.32Å; Y671-Q675 WeakPolarHBondContact O-CB 3.39Å; Y671-Q675 PolarHBondContact O-N 3.36Å; L673-Q675 VanDerWaalsContact C-N 3.26Å; L673-Q675 PolarHBondContact O-N 3.28Å; Q675-I677 VanDerWaalsContact C-N 3.3Å; Q675-I677 PolarHBondContact O-N 3.03Å; Q675-Y678 WeakPolarHBondContact O-CB 3.12Å; Q675-Y678 PolarHBondContact O-N 2.78Å; Q675-Y678 VanDerWaalsContact O-N 3.15Å; Q675-D679 PolarHBondContact NE2-OD1 3.39Å; Q675-D679 WeakPolarHBondContact O-CB 3.49Å; Q675-D679 PolarHBondContact O-N 3.22Å; Q675-L782 HydrophobicContact CB-CD1 4.28Å; Q675-L782 HydrophobicContact CG-CB 4.42Å; Q675-L782 HydrophobicContact CG-CD2 4.38Å; Q675-M784 HydrophobicContact CB-CG 3.85Å; Q675-M784 VanDerWaalsContact N-CG 3.29Å
676	R	91.4	Very high	84.3	Confident	99 Å²	99	49.7 Å²	49.7	37%	0.374	26%	0.259	S	S	.	.	H	α-helix	trans	-59.4	-39	175.8	-75.7	-175.1	-72.8	152.4	-6.8	112.6	E672 L673 S680 F696 D709	E672-R676 VanDerWaalsContact O-CG 3.32Å; E672-R676 WeakPolarHBondContact O-CG 3.32Å; E672-R676 PolarHBondContact O-N 3.33Å; L673-R676 PolarHBondContact O-N 2.82Å; R676-S680 WeakPolarHBondContact O-CB 3.49Å; R676-S680 PolarHBondContact O-N 3.47Å; R676-F696 HydrophobicContact CB-CE2 4.11Å; R676-D709 IonicContact CZ-OD2 2.71Å; R676-D709 VanDerWaalsContact CZ-OD2 3.3Å; R676-D709 IonicContact NH1-OD2 3.3Å; R676-D709 PolarHBondContact NH1-OD2 3.2Å; R676-D709 IonicContact NH2-OD2 2.73Å; R676-D709 PolarHBondContact NH2-OD2 3.2Å
677	I	91.2	Very high	82.2	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-64	-48.3	175	-65.7	165.7	0	0	0	109.6	L669 L673 A674 Q675 S680 F696 I710 L728 S729 I732	L669-I677 HydrophobicContact CD1-CD1 4.32Å; L673-I677 HydrophobicContact CG-CD1 4.36Å; L673-I677 WeakPolarHBondContact O-CG1 3.36Å; L673-I677 PolarHBondContact O-N 3.4Å; A674-I677 PolarHBondContact O-N 2.89Å; Q675-I677 VanDerWaalsContact C-N 3.3Å; Q675-I677 PolarHBondContact O-N 3.03Å; I677-S680 PolarHBondContact O-N 3.23Å; I677-S680 PolarHBondContact O-OG 2.76Å; I677-F696 HydrophobicContact CG1-CD2 4.46Å; I677-F696 HydrophobicContact CG1-CE1 4.21Å; I677-F696 HydrophobicContact CG1-CE2 3.75Å; I677-F696 HydrophobicContact CG1-CZ 3.61Å; I677-I710 HydrophobicContact CD1-CD1 4.34Å; I677-L728 HydrophobicContact CD1-CD2 4.09Å; I677-S729 VanDerWaalsContact CG2-OG 3.27Å; I677-S729 WeakPolarHBondContact CG2-OG 3.39Å; I677-I732 HydrophobicContact CB-CD1 4.11Å; I677-I732 HydrophobicContact CD1-CD1 4.15Å; I677-I732 HydrophobicContact CG2-CD1 3.82Å
678	Y	91.3	Very high	80.1	Confident	47 Å²	47	56.2 Å²	56.2	18%	0.184	31%	0.308	C	S	.	.	H	α-helix	trans	-59.6	-49.2	178.4	174	-103.8	0	0	0	113	A674 Q675 S680 V681 T682 I732 L733 V736 M784	A674-Y678 WeakPolarHBondContact O-CB 3.05Å; A674-Y678 PolarHBondContact O-N 3.45Å; Q675-Y678 WeakPolarHBondContact O-CB 3.12Å; Q675-Y678 PolarHBondContact O-N 2.78Å; Q675-Y678 VanDerWaalsContact O-N 3.15Å; Y678-S680 PolarHBondContact O-N 2.8Å; Y678-V681 PolarHBondContact O-N 3.2Å; Y678-V681 VanDerWaalsContact O-N 3.09Å; Y678-T682 HydrophobicContact CD2-CG2 4.24Å; Y678-T682 HydrophobicContact CE1-CG2 4.17Å; Y678-T682 HydrophobicContact CE2-CG2 3.72Å; Y678-T682 PolarHBondContact O-N 2.78Å; Y678-T682 PolarHBondContact O-OG1 2.73Å; Y678-I732 HydrophobicContact CD2-CG2 4.41Å; Y678-L733 HydrophobicContact CD2-CD1 4.42Å; Y678-L733 HydrophobicContact CE2-CD1 3.96Å; Y678-V736 HydrophobicContact CD2-CB 4.38Å; Y678-V736 HydrophobicContact CD2-CG2 3.84Å; Y678-V736 HydrophobicContact CE2-CB 3.9Å; Y678-V736 HydrophobicContact CE2-CG1 3.71Å; Y678-V736 HydrophobicContact CE2-CG2 3.82Å; Y678-M784 HydrophobicContact CD1-CE 4.09Å; Y678-M784 HydrophobicContact CD2-CE 4.25Å; Y678-M784 HydrophobicContact CG-CE 3.76Å
679	D	89.8	Confident	78.1	Confident	76 Å²	76	59.6 Å²	59.6	41%	0.406	33%	0.328	S	S	.	.	H	α-helix	trans	-62.3	-30.1	-179.1	-65.8	-16.2	0	0	0	112.4	Q675 V681 T682 A683	Q675-D679 PolarHBondContact NE2-OD1 3.39Å; Q675-D679 WeakPolarHBondContact O-CB 3.49Å; Q675-D679 PolarHBondContact O-N 3.22Å; D679-V681 VanDerWaalsContact C-N 3.28Å; D679-V681 PolarHBondContact O-N 3.03Å; D679-T682 WeakPolarHBondContact CA-OG1 3.44Å; D679-T682 PolarHBondContact O-OG1 3.26Å; D679-A683 PolarHBondContact O-N 2.85Å
680	S	82.3	Confident	76.2	Confident	5 Å²	5	64.5 Å²	64.5	4%	0.035	36%	0.363	C	S	.	.	H	α-helix	trans	-69.8	-25.8	178.1	75.8	0	0	0	0	113.7	R676 I677 Y678 F696	R676-S680 WeakPolarHBondContact O-CB 3.49Å; R676-S680 PolarHBondContact O-N 3.47Å; I677-S680 PolarHBondContact O-N 3.23Å; I677-S680 PolarHBondContact O-OG 2.76Å; Y678-S680 PolarHBondContact O-N 2.8Å; S680-F696 WeakPolarHBondContact OG-CB 3.35Å
681	V	79	Confident	74.8	Confident	49 Å²	49	64.2 Å²	64.2	30%	0.297	36%	0.362	S	S	.	.	H	α-helix	trans	-89.3	-30.3	-179.9	-178	0	0	0	0	110.9	Y678 D679 L733	Y678-V681 PolarHBondContact O-N 3.2Å; Y678-V681 VanDerWaalsContact O-N 3.09Å; D679-V681 VanDerWaalsContact C-N 3.28Å; D679-V681 PolarHBondContact O-N 3.03Å; V681-L733 HydrophobicContact CG1-CD2 4.27Å
682	T	77.2	Confident	73.6	Confident	56 Å²	56	63.4 Å²	63.4	34%	0.344	36%	0.362	S	S	.	.	H	α-helix	trans	-91	-13.4	-176	52.6	0	0	0	0	114.4	Y678 D679 D684 L733	Y678-T682 HydrophobicContact CD2-CG2 4.24Å; Y678-T682 HydrophobicContact CE1-CG2 4.17Å; Y678-T682 HydrophobicContact CE2-CG2 3.72Å; Y678-T682 PolarHBondContact O-N 2.78Å; Y678-T682 PolarHBondContact O-OG1 2.73Å; D679-T682 WeakPolarHBondContact CA-OG1 3.44Å; D679-T682 PolarHBondContact O-OG1 3.26Å; T682-D684 PolarHBondContact O-N 3.49Å; T682-L733 HydrophobicContact CG2-CD1 4.29Å
683	A	66.9	Low	73	Confident	42 Å²	42	59.6 Å²	59.6	35%	0.347	35%	0.345	S	S	.	.	S	Bend	trans	-56.5	113.4	176.8	0	0	0	0	0	111.5	D679 N685	D679-A683 PolarHBondContact O-N 2.85Å; A683-N685 PolarHBondContact O-N 3.37Å
684	D	52.5	Low	72.3	Confident	149 Å²	149	62.8 Å²	62.8	80%	0.797	36%	0.36	S	S	*	.	S	Bend	trans	-50.4	130.3	-177.6	-69.2	-45.3	0	0	0	112.3	T682	T682-D684 PolarHBondContact O-N 3.49Å
685	N	49.1	Very low	71.4	Confident	157 Å²	157	65 Å²	65	84%	0.84	37%	0.37	S	S	*	.			trans	103.1	31.2	166	-52.5	-67.5	0	0	0	119.9	A683	A683-N685 PolarHBondContact O-N 3.37Å
686	I	50.4	Low	70.7	Confident	75 Å²	75	64.2 Å²	64.2	39%	0.385	37%	0.366	S	S	.	.			trans	-125.9	100.9	161.2	-47.2	-176.9	0	0	0	111.4	S688 C691 E695	I686-S688 PolarHBondContact O-N 2.82Å; I686-C691 HydrophobicContact CG2-CB 3.55Å; I686-E695 WeakPolarHBondContact CD1-OE2 3.33Å
687	S	52.1	Low	70.3	Confident	128 Å²	128	60 Å²	60	90%	0.895	35%	0.351	S	S	*	.			trans	-69	24.1	177	47.8	0	0	0	0	114.1
688	S	52.9	Low	69.9	Low	66 Å²	66	66.8 Å²	66.8	46%	0.462	38%	0.381	S	S	.	.			trans	-146.6	105.5	-175.7	-46.7	0	0	0	0	111.2	I686 S690 C691	I686-S688 PolarHBondContact O-N 2.82Å; S688-S690 VanDerWaalsContact C-N 3.29Å; S688-S690 PolarHBondContact O-N 2.82Å; S688-C691 VanDerWaalsContact O-CB 3.24Å; S688-C691 WeakPolarHBondContact O-CB 3.42Å; S688-C691 PolarHBondContact O-N 3.38Å
689	N	53.2	Low	69.4	Low	111 Å²	111	70.7 Å²	70.7	59%	0.594	40%	0.399	S	S	*	.	H	α-helix	trans	-53.6	-38	-177.4	-73	-9.7	0	0	0	114.4	C691 A692	N689-C691 PolarHBondContact O-N 3.49Å; N689-C691 VanDerWaalsContact O-N 3.09Å; N689-A692 PolarHBondContact O-N 3.29Å; N689-A692 VanDerWaalsContact O-N 3.11Å
690	S	56.4	Low	69	Low	104 Å²	104	68.2 Å²	68.2	73%	0.727	39%	0.387	S	S	*	.	H	α-helix	trans	-59.3	-23.4	177.2	-61.2	0	0	0	0	113	S688 E694	S688-S690 VanDerWaalsContact C-N 3.29Å; S688-S690 PolarHBondContact O-N 2.82Å; S690-E694 WeakPolarHBondContact O-CG 3.31Å
691	C	64.3	Low	69	Low	39 Å²	39	71.1 Å²	71.1	26%	0.264	42%	0.418	S	S	.	.	H	α-helix	trans	-83.1	-27.8	180	-164.9	0	0	0	0	112.8	I686 S688 N689 E694 E695	I686-C691 HydrophobicContact CG2-CB 3.55Å; S688-C691 VanDerWaalsContact O-CB 3.24Å; S688-C691 WeakPolarHBondContact O-CB 3.42Å; S688-C691 PolarHBondContact O-N 3.38Å; N689-C691 PolarHBondContact O-N 3.49Å; N689-C691 VanDerWaalsContact O-N 3.09Å; C691-E694 PolarHBondContact O-N 2.97Å; C691-E695 WeakPolarHBondContact O-CB 3.33Å; C691-E695 PolarHBondContact O-N 3.26Å
692	A	70.5	Confident	69.3	Low	16 Å²	16	70 Å²	70	13%	0.132	42%	0.417	C	S	.	.	H	α-helix	trans	-64.5	-45.7	-178.3	0	0	0	0	0	112.1	N689 E694 E695 F696	N689-A692 PolarHBondContact O-N 3.29Å; N689-A692 VanDerWaalsContact O-N 3.11Å; A692-E694 VanDerWaalsContact C-N 3.33Å; A692-E694 PolarHBondContact O-N 2.92Å; A692-E695 WeakPolarHBondContact O-CB 3.49Å; A692-E695 PolarHBondContact O-N 2.99Å; A692-E695 VanDerWaalsContact O-N 3.16Å; A692-F696 PolarHBondContact O-N 2.9Å
693	V	78.6	Confident	69.6	Low	8 Å²	8	68.6 Å²	68.6	5%	0.048	41%	0.407	C	S	.	.	H	α-helix	trans	-64.5	-39.9	175.8	179.9	0	0	0	0	111	E695 F696 I697 L722 L725 D726	V693-E695 VanDerWaalsContact C-N 3.28Å; V693-E695 PolarHBondContact O-N 3Å; V693-F696 PolarHBondContact O-N 2.98Å; V693-I697 HydrophobicContact CG1-CD1 4.07Å; V693-I697 WeakPolarHBondContact O-CD1 3.47Å; V693-I697 VanDerWaalsContact O-CG1 3.27Å; V693-I697 WeakPolarHBondContact O-CG1 3.16Å; V693-I697 PolarHBondContact O-N 3.37Å; V693-L722 HydrophobicContact CG1-CD2 3.8Å; V693-L725 HydrophobicContact CG1-CB 3.63Å; V693-L725 HydrophobicContact CG1-CD1 4.01Å; V693-L725 HydrophobicContact CG1-CG 4.48Å; V693-D726 HydrophobicContact CG2-CB 4Å
694	E	79.5	Confident	70.4	Confident	71 Å²	71	72.7 Å²	72.7	33%	0.332	42%	0.419	S	S	.	.	H	α-helix	trans	-64.1	-34.7	174.3	-71.2	-168.9	161.4	0	0	112.4	S690 C691 A692 K698 R718	S690-E694 WeakPolarHBondContact O-CG 3.31Å; C691-E694 PolarHBondContact O-N 2.97Å; A692-E694 VanDerWaalsContact C-N 3.33Å; A692-E694 PolarHBondContact O-N 2.92Å; E694-K698 VanDerWaalsContact O-CG 3.25Å; E694-K698 WeakPolarHBondContact O-CG 3.42Å; E694-K698 PolarHBondContact O-N 2.69Å; E694-R718 IonicContact OE1-NH2 3.62Å
695	E	75.7	Confident	72	Confident	46 Å²	46	67 Å²	67	22%	0.215	39%	0.393	C	S	.	.	H	α-helix	trans	-70	-43.3	175.8	-167.2	-177.3	173.3	0	0	111.7	I686 C691 A692 V693 I697 K698 K699	I686-E695 WeakPolarHBondContact CD1-OE2 3.33Å; C691-E695 WeakPolarHBondContact O-CB 3.33Å; C691-E695 PolarHBondContact O-N 3.26Å; A692-E695 WeakPolarHBondContact O-CB 3.49Å; A692-E695 PolarHBondContact O-N 2.99Å; A692-E695 VanDerWaalsContact O-N 3.16Å; V693-E695 VanDerWaalsContact C-N 3.28Å; V693-E695 PolarHBondContact O-N 3Å; E695-I697 VanDerWaalsContact C-N 3.28Å; E695-I697 PolarHBondContact O-N 3.09Å; E695-K698 PolarHBondContact O-N 2.69Å; E695-K698 VanDerWaalsContact O-N 3.13Å; E695-K699 HydrophobicContact CG-CD 4.28Å; E695-K699 HydrophobicContact CG-CG 4.44Å; E695-K699 WeakPolarHBondContact O-CB 3.49Å; E695-K699 WeakPolarHBondContact O-CG 3.3Å; E695-K699 PolarHBondContact O-N 2.96Å; E695-K699 WeakPolarHBondContact OE1-CE 3.41Å; E695-K699 IonicContact OE1-NZ 3.54Å; E695-K699 PolarHBondContact OE1-NZ 3.49Å
696	F	80.9	Confident	73.7	Confident	4 Å²	4	59.6 Å²	59.6	2%	0.018	35%	0.353	C	S	.	.	H	α-helix	trans	-53.8	-47.4	171.1	173.9	-110.6	0	0	0	111.4	L673 R676 I677 S680 A692 V693 K698 K699 S700 V706 L725	L673-F696 HydrophobicContact CD1-CZ 4.22Å; R676-F696 HydrophobicContact CB-CE2 4.11Å; I677-F696 HydrophobicContact CG1-CD2 4.46Å; I677-F696 HydrophobicContact CG1-CE1 4.21Å; I677-F696 HydrophobicContact CG1-CE2 3.75Å; I677-F696 HydrophobicContact CG1-CZ 3.61Å; S680-F696 WeakPolarHBondContact OG-CB 3.35Å; A692-F696 PolarHBondContact O-N 2.9Å; V693-F696 PolarHBondContact O-N 2.98Å; F696-K698 PolarHBondContact O-N 3.22Å; F696-K699 PolarHBondContact O-N 2.92Å; F696-S700 VanDerWaalsContact O-CB 3.29Å; F696-S700 WeakPolarHBondContact O-CB 3.37Å; F696-S700 PolarHBondContact O-N 3.5Å; F696-S700 PolarHBondContact O-OG 3.49Å; F696-V706 HydrophobicContact CD1-CG2 4.24Å; F696-V706 HydrophobicContact CE1-CB 4.45Å; F696-V706 HydrophobicContact CE1-CG1 3.76Å; F696-V706 HydrophobicContact CE1-CG2 3.77Å; F696-V706 HydrophobicContact CZ-CG2 4.38Å; F696-L725 HydrophobicContact CE1-CD2 4.28Å
697	I	82.3	Confident	75.5	Confident	11 Å²	11	57 Å²	57	6%	0.056	34%	0.339	C	S	.	.	H	α-helix	trans	-61.3	-44.4	177.1	-70.3	165.8	0	0	0	110.6	V693 E695 S700 G701 G702 L703 V706 L722 L725	V693-I697 HydrophobicContact CG1-CD1 4.07Å; V693-I697 WeakPolarHBondContact O-CD1 3.47Å; V693-I697 VanDerWaalsContact O-CG1 3.27Å; V693-I697 WeakPolarHBondContact O-CG1 3.16Å; V693-I697 PolarHBondContact O-N 3.37Å; E695-I697 VanDerWaalsContact C-N 3.28Å; E695-I697 PolarHBondContact O-N 3.09Å; I697-S700 PolarHBondContact O-N 3.14Å; I697-G701 PolarHBondContact O-N 3.18Å; I697-G702 VanDerWaalsContact O-CA 3.27Å; I697-G702 WeakPolarHBondContact O-CA 3.26Å; I697-G702 PolarHBondContact O-N 3Å; I697-L703 HydrophobicContact CD1-CD1 4.01Å; I697-L703 HydrophobicContact CG1-CD1 4.4Å; I697-L703 HydrophobicContact CG2-CB 4.06Å; I697-L703 VanDerWaalsContact CG2-N 3.35Å; I697-V706 HydrophobicContact CG1-CG2 4.24Å; I697-L722 HydrophobicContact CD1-CD2 3.38Å; I697-L725 HydrophobicContact CD1-CD1 4.1Å; I697-L725 HydrophobicContact CG1-CD1 4.24Å
698	K	82.3	Confident	77.2	Confident	143 Å²	143	55.6 Å²	55.6	62%	0.622	32%	0.321	S	S	*	.	H	α-helix	trans	-63.1	-47.1	177.4	-74.9	168.5	-172.3	168.5	0	112	E694 E695 F696 S700 G701	E694-K698 VanDerWaalsContact O-CG 3.25Å; E694-K698 WeakPolarHBondContact O-CG 3.42Å; E694-K698 PolarHBondContact O-N 2.69Å; E695-K698 PolarHBondContact O-N 2.69Å; E695-K698 VanDerWaalsContact O-N 3.13Å; F696-K698 PolarHBondContact O-N 3.22Å; K698-S700 VanDerWaalsContact C-N 3.3Å; K698-S700 PolarHBondContact O-N 2.93Å; K698-G701 PolarHBondContact O-N 3.38Å; K698-G701 VanDerWaalsContact O-N 3.16Å
699	K	80.9	Confident	78.8	Confident	128 Å²	128	55.7 Å²	55.7	56%	0.557	32%	0.317	S	S	*	.	H	α-helix	trans	-64.9	-33.4	179.4	-76	-179.9	-179.9	163.2	0	112.4	E695 F696 G701	E695-K699 HydrophobicContact CG-CD 4.28Å; E695-K699 HydrophobicContact CG-CG 4.44Å; E695-K699 WeakPolarHBondContact O-CB 3.49Å; E695-K699 WeakPolarHBondContact O-CG 3.3Å; E695-K699 PolarHBondContact O-N 2.96Å; E695-K699 WeakPolarHBondContact OE1-CE 3.41Å; E695-K699 IonicContact OE1-NZ 3.54Å; E695-K699 PolarHBondContact OE1-NZ 3.49Å; F696-K699 PolarHBondContact O-N 2.92Å; K699-G701 PolarHBondContact O-N 3.49Å
700	S	81.6	Confident	80.6	Confident	24 Å²	24	50.4 Å²	50.4	17%	0.168	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-2.6	177	-57.2	0	0	0	0	113.5	F696 I697 K698 A705	F696-S700 VanDerWaalsContact O-CB 3.29Å; F696-S700 WeakPolarHBondContact O-CB 3.37Å; F696-S700 PolarHBondContact O-N 3.5Å; F696-S700 PolarHBondContact O-OG 3.49Å; I697-S700 PolarHBondContact O-N 3.14Å; K698-S700 VanDerWaalsContact C-N 3.3Å; K698-S700 PolarHBondContact O-N 2.93Å; S700-A705 WeakPolarHBondContact O-CB 3.39Å
701	G	83.4	Confident	82.1	Confident	67 Å²	67	48.5 Å²	48.5	69%	0.691	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.9	13.9	-179.7	0	0	0	0	0	114.7	I697 K698 K699	I697-G701 PolarHBondContact O-N 3.18Å; K698-G701 PolarHBondContact O-N 3.38Å; K698-G701 VanDerWaalsContact O-N 3.16Å; K699-G701 PolarHBondContact O-N 3.49Å
702	G	84.8	Confident	83.3	Confident	25 Å²	25	49 Å²	49	26%	0.258	27%	0.272	S	S	.	.	S	Bend	trans	111.9	172.4	178.5	0	0	0	0	0	113.5	I697 E704 A705 V706	I697-G702 VanDerWaalsContact O-CA 3.27Å; I697-G702 WeakPolarHBondContact O-CA 3.26Å; I697-G702 PolarHBondContact O-N 3Å; G702-E704 VanDerWaalsContact C-N 3.29Å; G702-E704 PolarHBondContact O-N 2.99Å; G702-A705 PolarHBondContact O-N 3.3Å; G702-V706 PolarHBondContact O-N 3.28Å
703	L	83.5	Confident	84.2	Confident	27 Å²	27	48.3 Å²	48.3	14%	0.141	27%	0.266	C	S	.	.	H	α-helix	trans	-64.6	-35.3	-174.3	-177.1	62.8	0	0	0	111.9	I697 A705 V706 K707 R718 C721	I697-L703 HydrophobicContact CD1-CD1 4.01Å; I697-L703 HydrophobicContact CG1-CD1 4.4Å; I697-L703 HydrophobicContact CG2-CB 4.06Å; I697-L703 VanDerWaalsContact CG2-N 3.35Å; L703-A705 VanDerWaalsContact C-N 3.33Å; L703-A705 PolarHBondContact O-N 3.13Å; L703-V706 PolarHBondContact O-N 2.95Å; L703-K707 HydrophobicContact CG-CD 4.42Å; L703-K707 WeakPolarHBondContact O-CG 3.48Å; L703-K707 PolarHBondContact O-N 3.34Å; L703-R718 HydrophobicContact CD2-CB 4.3Å; L703-R718 HydrophobicContact CD2-CG 4.14Å; L703-C721 HydrophobicContact CD1-CB 4.13Å
704	E	83.8	Confident	84.6	Confident	127 Å²	127	54 Å²	54	59%	0.593	29%	0.287	S	S	*	.	H	α-helix	trans	-64.2	-36.8	177.4	-65.3	-55.1	129.7	0	0	112.5	G702 K707 N708	G702-E704 VanDerWaalsContact C-N 3.29Å; G702-E704 PolarHBondContact O-N 2.99Å; E704-K707 PolarHBondContact O-N 3.02Å; E704-N708 PolarHBondContact O-N 3.46Å; E704-N708 PolarHBondContact O-ND2 2.98Å
705	A	85.6	Confident	84.8	Confident	30 Å²	30	58.4 Å²	58.4	25%	0.248	31%	0.313	C	S	.	.	H	α-helix	trans	-66.9	-42.1	175.5	0	0	0	0	0	111.2	S700 G702 L703 K707 N708 D709	S700-A705 WeakPolarHBondContact O-CB 3.39Å; G702-A705 PolarHBondContact O-N 3.3Å; L703-A705 VanDerWaalsContact C-N 3.33Å; L703-A705 PolarHBondContact O-N 3.13Å; A705-K707 VanDerWaalsContact C-N 3.34Å; A705-K707 PolarHBondContact O-N 3.02Å; A705-N708 WeakPolarHBondContact O-CB 3.4Å; A705-N708 PolarHBondContact O-N 3.02Å; A705-N708 VanDerWaalsContact O-N 3.1Å; A705-D709 PolarHBondContact O-N 2.96Å
706	V	85.7	Confident	85.3	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.006	32%	0.316	C	S	.	.	H	α-helix	trans	-62.4	-40.7	174	177.5	0	0	0	0	111.7	F696 I697 G702 L703 N708 D709 I710 L713 L725	F696-V706 HydrophobicContact CD1-CG2 4.24Å; F696-V706 HydrophobicContact CE1-CB 4.45Å; F696-V706 HydrophobicContact CE1-CG1 3.76Å; F696-V706 HydrophobicContact CE1-CG2 3.77Å; F696-V706 HydrophobicContact CZ-CG2 4.38Å; I697-V706 HydrophobicContact CG1-CG2 4.24Å; G702-V706 PolarHBondContact O-N 3.28Å; L703-V706 PolarHBondContact O-N 2.95Å; V706-N708 PolarHBondContact O-N 3.12Å; V706-D709 PolarHBondContact O-N 3.29Å; V706-I710 HydrophobicContact CG1-CD1 4.15Å; V706-I710 PolarHBondContact O-N 3.12Å; V706-L713 HydrophobicContact CG1-CD1 4.15Å; V706-L725 HydrophobicContact CG1-CD1 4.12Å; V706-L725 HydrophobicContact CG1-CD2 4.25Å
707	K	87.1	Confident	85.7	Confident	22 Å²	22	62.4 Å²	62.4	10%	0.096	34%	0.335	C	S	.	.	H	α-helix	trans	-66.9	-23.3	174.6	-74.1	-177.4	167.7	-150.9	0	113.4	L703 E704 A705 I710 L713 R714 L716 C721	L703-K707 HydrophobicContact CG-CD 4.42Å; L703-K707 WeakPolarHBondContact O-CG 3.48Å; L703-K707 PolarHBondContact O-N 3.34Å; E704-K707 PolarHBondContact O-N 3.02Å; A705-K707 VanDerWaalsContact C-N 3.34Å; A705-K707 PolarHBondContact O-N 3.02Å; K707-I710 CarbonylContact O-C 3.59Å; K707-L713 WeakPolarHBondContact CE-O 3.49Å; K707-L713 HydrophobicContact CG-CB 4.21Å; K707-R714 HydrophobicContact CB-CG 4.19Å; K707-R714 PolarHBondContact NZ-O 3.27Å; K707-R714 VanDerWaalsContact O-CG 3.25Å; K707-R714 WeakPolarHBondContact O-CG 3.36Å; K707-R714 PolarHBondContact O-NE 2.74Å; K707-R714 VanDerWaalsContact O-NE 3.08Å; K707-L716 PolarHBondContact NZ-O 3.39Å; K707-C721 WeakPolarHBondContact CE-SG 3.24Å
708	N	87.3	Confident	85.9	Confident	97 Å²	97	67.9 Å²	67.9	52%	0.519	36%	0.355	S	S	.	.	H	α-helix	trans	-77.9	-41.3	172.3	-70.7	-28.6	0	0	0	111.3	E704 A705 V706	E704-N708 PolarHBondContact O-N 3.46Å; E704-N708 PolarHBondContact O-ND2 2.98Å; A705-N708 WeakPolarHBondContact O-CB 3.4Å; A705-N708 PolarHBondContact O-N 3.02Å; A705-N708 VanDerWaalsContact O-N 3.1Å; V706-N708 PolarHBondContact O-N 3.12Å
709	D	86.7	Confident	86.1	Confident	68 Å²	68	66.5 Å²	66.5	36%	0.364	35%	0.354	S	S	.	.	H	α-helix	trans	-71.7	-33.6	177.5	-78.5	7.4	0	0	0	113.1	L673 R676 A705 V706 P711	L673-D709 HydrophobicContact CD1-CB 4.16Å; L673-D709 HydrophobicContact CD2-CB 4.26Å; R676-D709 IonicContact CZ-OD2 2.71Å; R676-D709 VanDerWaalsContact CZ-OD2 3.3Å; R676-D709 IonicContact NH1-OD2 3.3Å; R676-D709 PolarHBondContact NH1-OD2 3.2Å; R676-D709 IonicContact NH2-OD2 2.73Å; R676-D709 PolarHBondContact NH2-OD2 3.2Å; A705-D709 PolarHBondContact O-N 2.96Å; V706-D709 PolarHBondContact O-N 3.29Å; D709-P711 WeakPolarHBondContact O-CD 3.3Å
710	I	91.2	Very high	86.5	Confident	1 Å²	1	64.8 Å²	64.8	1%	0.005	35%	0.349	C	S	.	.	S	Bend	trans	-119.5	86.2	175.9	-52.5	171	0	0	0	107.9	Y667 L669 L673 I677 V706 K707 E712 L713 L725	Y667-I710 HydrophobicContact CD1-CG2 3.72Å; Y667-I710 HydrophobicContact CE1-CG2 4.19Å; L669-I710 HydrophobicContact CD2-CD1 4.48Å; L669-I710 HydrophobicContact CD2-CG1 4.37Å; L673-I710 HydrophobicContact CD1-CG1 4.5Å; L673-I710 HydrophobicContact CD2-CD1 4.39Å; L673-I710 HydrophobicContact CD2-CG1 3.65Å; L673-I710 HydrophobicContact CG-CG1 4.45Å; I677-I710 HydrophobicContact CD1-CD1 4.34Å; V706-I710 HydrophobicContact CG1-CD1 4.15Å; V706-I710 PolarHBondContact O-N 3.12Å; K707-I710 CarbonylContact O-C 3.59Å; I710-E712 HydrophobicContact CG2-CB 4.41Å; I710-E712 VanDerWaalsContact CG2-OE2 3.25Å; I710-E712 WeakPolarHBondContact CG2-OE2 3.49Å; I710-E712 PolarHBondContact O-N 2.74Å; I710-L713 HydrophobicContact CB-CD1 3.91Å; I710-L713 HydrophobicContact CB-CG 4.11Å; I710-L713 HydrophobicContact CD1-CD1 3.89Å; I710-L713 HydrophobicContact CG1-CD1 4.48Å; I710-L713 HydrophobicContact CG2-CD1 3.91Å; I710-L713 HydrophobicContact CG2-CG 3.72Å; I710-L713 PolarHBondContact O-N 3.48Å; I710-L725 HydrophobicContact CD1-CD2 3.97Å
711	P	88.6	Confident	86.7	Confident	64 Å²	64	63.7 Å²	63.7	42%	0.416	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-55.2	-27.1	-177.2	-26.5	35.3	0	0	0	114.3	D709 L713 R714	D709-P711 WeakPolarHBondContact O-CD 3.3Å; P711-L713 PolarHBondContact O-N 3.23Å; P711-R714 WeakPolarHBondContact O-CB 3.23Å; P711-R714 VanDerWaalsContact O-CG 3.26Å; P711-R714 WeakPolarHBondContact O-CG 3.29Å; P711-R714 PolarHBondContact O-N 3.26Å
712	E	90.1	Very high	86.9	Confident	50 Å²	50	62 Å²	62	23%	0.234	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-68.3	-14.7	-179.3	-55.9	89.4	161.1	0	0	113.1	S633 S666 Y667 K668 I710	S633-E712 WeakPolarHBondContact CB-OE1 3.26Å; S633-E712 PolarHBondContact OG-OE1 3.33Å; S666-E712 WeakPolarHBondContact O-CG 3.37Å; Y667-E712 HydrophobicContact CD1-CB 3.91Å; Y667-E712 HydrophobicContact CD1-CG 4.41Å; Y667-E712 HydrophobicContact CE1-CB 4.09Å; K668-E712 PolarHBondContact N-OE1 2.99Å; I710-E712 HydrophobicContact CG2-CB 4.41Å; I710-E712 VanDerWaalsContact CG2-OE2 3.25Å; I710-E712 WeakPolarHBondContact CG2-OE2 3.49Å; I710-E712 PolarHBondContact O-N 2.74Å
713	L	89.4	Confident	87.1	Confident	1 Å²	1	65.5 Å²	65.5	1%	0.005	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-92.6	-3.5	176.8	-61.9	178.5	0	0	0	113.7	Y667 V706 K707 I710 P711 D715 L716 C721 A724 L725	Y667-L713 HydrophobicContact CE1-CD2 3.8Å; Y667-L713 HydrophobicContact CE1-CG 4.27Å; V706-L713 HydrophobicContact CG1-CD1 4.15Å; K707-L713 WeakPolarHBondContact CE-O 3.49Å; K707-L713 HydrophobicContact CG-CB 4.21Å; I710-L713 HydrophobicContact CB-CD1 3.91Å; I710-L713 HydrophobicContact CB-CG 4.11Å; I710-L713 HydrophobicContact CD1-CD1 3.89Å; I710-L713 HydrophobicContact CG1-CD1 4.48Å; I710-L713 HydrophobicContact CG2-CD1 3.91Å; I710-L713 HydrophobicContact CG2-CG 3.72Å; I710-L713 PolarHBondContact O-N 3.48Å; P711-L713 PolarHBondContact O-N 3.23Å; L713-D715 PolarHBondContact O-N 3.28Å; L713-L716 HydrophobicContact CD2-CD1 3.81Å; L713-L716 PolarHBondContact O-N 3.24Å; L713-C721 PolarHBondContact O-SG 3.08Å; L713-A724 HydrophobicContact CD2-CB 3.98Å; L713-L725 HydrophobicContact CD1-CD1 4.22Å; L713-L725 HydrophobicContact CD1-CD2 3.6Å; L713-L725 HydrophobicContact CD1-CG 3.82Å
714	R	86.3	Confident	87.5	Confident	128 Å²	128	65 Å²	65	48%	0.483	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-46.9	-172.1	-73.9	176.4	-175.6	-178.1	4.7	113	K707 P711 L716	K707-R714 HydrophobicContact CB-CG 4.19Å; K707-R714 PolarHBondContact NZ-O 3.27Å; K707-R714 VanDerWaalsContact O-CG 3.25Å; K707-R714 WeakPolarHBondContact O-CG 3.36Å; K707-R714 PolarHBondContact O-NE 2.74Å; K707-R714 VanDerWaalsContact O-NE 3.08Å; P711-R714 WeakPolarHBondContact O-CB 3.23Å; P711-R714 VanDerWaalsContact O-CG 3.26Å; P711-R714 WeakPolarHBondContact O-CG 3.29Å; P711-R714 PolarHBondContact O-N 3.26Å; R714-L716 VanDerWaalsContact C-N 3.3Å; R714-L716 PolarHBondContact O-N 3.27Å
715	D	84.3	Confident	87.8	Confident	163 Å²	163	59 Å²	59	87%	0.872	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-7.8	-173.2	-62.2	-33.4	0	0	0	113.9	L713	L713-D715 PolarHBondContact O-N 3.28Å
716	L	86.6	Confident	88	Confident	54 Å²	54	59.7 Å²	59.7	28%	0.283	30%	0.303	S	S	.	.	S	Bend	trans	-82.7	146.3	-178.6	-62.3	-178.1	0	0	0	111.9	K707 L713 R714 E720 C721 A724	K707-L716 PolarHBondContact NZ-O 3.39Å; L713-L716 HydrophobicContact CD2-CD1 3.81Å; L713-L716 PolarHBondContact O-N 3.24Å; R714-L716 VanDerWaalsContact C-N 3.3Å; R714-L716 PolarHBondContact O-N 3.27Å; L716-E720 HydrophobicContact CB-CB 4.04Å; L716-E720 HydrophobicContact CD2-CB 4.4Å; L716-C721 VanDerWaalsContact CB-SG 3.53Å; L716-A724 HydrophobicContact CD1-CB 4.29Å
717	N	89.1	Confident	88.3	Confident	79 Å²	79	64.4 Å²	64.4	42%	0.422	32%	0.324	S	S	.	.			trans	-71.3	168.4	171.2	74.2	47.5	0	0	0	110.9	D719 E720 C721	N717-D719 VanDerWaalsContact C-N 3.33Å; N717-D719 PolarHBondContact O-N 2.95Å; N717-D719 PolarHBondContact OD1-N 3.38Å; N717-E720 VanDerWaalsContact CG-CD 3.43Å; N717-E720 VanDerWaalsContact CG-OE2 3.28Å; N717-E720 PolarHBondContact N-OE2 3.04Å; N717-E720 WeakPolarHBondContact ND2-CG 3.28Å; N717-E720 PolarHBondContact ND2-OE1 3.32Å; N717-E720 VanDerWaalsContact ND2-OE1 3.08Å; N717-E720 PolarHBondContact ND2-OE2 3.42Å; N717-E720 VanDerWaalsContact ND2-OE2 3.1Å; N717-E720 PolarHBondContact O-N 3.16Å; N717-E720 WeakPolarHBondContact OD1-CB 3.33Å; N717-E720 WeakPolarHBondContact OD1-CG 3.46Å; N717-E720 PolarHBondContact OD1-N 3.43Å; N717-C721 WeakPolarHBondContact O-CB 3.09Å; N717-C721 PolarHBondContact O-N 2.78Å; N717-C721 PolarHBondContact O-SG 2.93Å
718	R	84.9	Confident	88.6	Confident	126 Å²	126	63.3 Å²	63.3	48%	0.475	32%	0.319	S	S	.	.	H	α-helix	trans	-56.9	-44.1	-175.5	176.7	177.2	164.5	80.5	5.5	112.8	E694 L703 C721 L722	E694-R718 IonicContact OE1-NH2 3.62Å; L703-R718 HydrophobicContact CD2-CB 4.3Å; L703-R718 HydrophobicContact CD2-CG 4.14Å; R718-C721 PolarHBondContact O-N 3.47Å; R718-L722 HydrophobicContact CG-CD1 4.17Å; R718-L722 VanDerWaalsContact O-CG 3.28Å; R718-L722 WeakPolarHBondContact O-CG 3.28Å; R718-L722 PolarHBondContact O-N 3.36Å
719	D	87.9	Confident	88.9	Confident	114 Å²	114	59 Å²	59	61%	0.61	30%	0.297	S	S	*	.	H	α-helix	trans	-73.5	-36.9	-175.3	-66.9	-16.4	0	0	0	111.6	N717 L722 T723	N717-D719 VanDerWaalsContact C-N 3.33Å; N717-D719 PolarHBondContact O-N 2.95Å; N717-D719 PolarHBondContact OD1-N 3.38Å; D719-L722 PolarHBondContact O-N 3.38Å; D719-T723 WeakPolarHBondContact O-CB 3.25Å; D719-T723 PolarHBondContact O-N 2.8Å; D719-T723 PolarHBondContact O-OG1 2.86Å
720	E	88.1	Confident	89.2	Confident	93 Å²	93	60.3 Å²	60.3	44%	0.435	30%	0.299	S	S	.	.	H	α-helix	trans	-62.8	-45.8	171.3	-74.1	167.6	176.2	0	0	111.2	L716 N717 L722 T723 A724	L716-E720 HydrophobicContact CB-CB 4.04Å; L716-E720 HydrophobicContact CD2-CB 4.4Å; N717-E720 VanDerWaalsContact CG-CD 3.43Å; N717-E720 VanDerWaalsContact CG-OE2 3.28Å; N717-E720 PolarHBondContact N-OE2 3.04Å; N717-E720 WeakPolarHBondContact ND2-CG 3.28Å; N717-E720 PolarHBondContact ND2-OE1 3.32Å; N717-E720 VanDerWaalsContact ND2-OE1 3.08Å; N717-E720 PolarHBondContact ND2-OE2 3.42Å; N717-E720 VanDerWaalsContact ND2-OE2 3.1Å; N717-E720 PolarHBondContact O-N 3.16Å; N717-E720 WeakPolarHBondContact OD1-CB 3.33Å; N717-E720 WeakPolarHBondContact OD1-CG 3.46Å; N717-E720 PolarHBondContact OD1-N 3.43Å; E720-L722 VanDerWaalsContact C-N 3.33Å; E720-L722 PolarHBondContact O-N 3.31Å; E720-T723 PolarHBondContact O-N 3.37Å; E720-A724 VanDerWaalsContact O-CB 3.23Å; E720-A724 WeakPolarHBondContact O-CB 3.37Å; E720-A724 PolarHBondContact O-N 3.24Å
721	C	86.7	Confident	89.4	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-57.4	-46.3	175	-72.7	0	0	0	0	111.7	L703 K707 L713 L716 N717 R718 T723 A724 L725	L703-C721 HydrophobicContact CD1-CB 4.13Å; K707-C721 WeakPolarHBondContact CE-SG 3.24Å; L713-C721 PolarHBondContact O-SG 3.08Å; L716-C721 VanDerWaalsContact CB-SG 3.53Å; N717-C721 WeakPolarHBondContact O-CB 3.09Å; N717-C721 PolarHBondContact O-N 2.78Å; N717-C721 PolarHBondContact O-SG 2.93Å; R718-C721 PolarHBondContact O-N 3.47Å; C721-T723 VanDerWaalsContact C-N 3.33Å; C721-T723 PolarHBondContact O-N 2.88Å; C721-A724 PolarHBondContact O-N 3.49Å; C721-L725 WeakPolarHBondContact O-CB 3.49Å; C721-L725 VanDerWaalsContact O-CG 3.27Å; C721-L725 WeakPolarHBondContact O-CG 3.4Å; C721-L725 PolarHBondContact O-N 3.01Å
722	L	87.5	Confident	89.8	Confident	33 Å²	33	57.7 Å²	57.7	17%	0.173	28%	0.282	C	S	.	.	H	α-helix	trans	-62.8	-41.7	-179.6	-72.3	170.8	0	0	0	111.6	V693 I697 R718 D719 E720 D726	V693-L722 HydrophobicContact CG1-CD2 3.8Å; I697-L722 HydrophobicContact CD1-CD2 3.38Å; R718-L722 HydrophobicContact CG-CD1 4.17Å; R718-L722 VanDerWaalsContact O-CG 3.28Å; R718-L722 WeakPolarHBondContact O-CG 3.28Å; R718-L722 PolarHBondContact O-N 3.36Å; D719-L722 PolarHBondContact O-N 3.38Å; E720-L722 VanDerWaalsContact C-N 3.33Å; E720-L722 PolarHBondContact O-N 3.31Å; L722-D726 WeakPolarHBondContact O-CB 3.5Å; L722-D726 PolarHBondContact O-N 2.99Å
723	T	89.6	Confident	90.1	Very high	97 Å²	97	57.9 Å²	57.9	60%	0.595	28%	0.284	S	S	*	.	H	α-helix	trans	-67.7	-43.2	178.4	-55.2	0	0	0	0	111.6	D719 E720 C721 D726 K727	D719-T723 WeakPolarHBondContact O-CB 3.25Å; D719-T723 PolarHBondContact O-N 2.8Å; D719-T723 PolarHBondContact O-OG1 2.86Å; E720-T723 PolarHBondContact O-N 3.37Å; C721-T723 VanDerWaalsContact C-N 3.33Å; C721-T723 PolarHBondContact O-N 2.88Å; T723-D726 PolarHBondContact O-N 2.84Å; T723-K727 PolarHBondContact O-N 3.14Å
724	A	90.6	Very high	90.3	Very high	17 Å²	17	59 Å²	59	14%	0.14	29%	0.291	C	S	.	.	H	α-helix	trans	-61.2	-46.5	176.7	0	0	0	0	0	111.8	Y667 L713 L716 E720 C721 K727 L728	Y667-A724 WeakPolarHBondContact OH-CB 3.41Å; L713-A724 HydrophobicContact CD2-CB 3.98Å; L716-A724 HydrophobicContact CD1-CB 4.29Å; E720-A724 VanDerWaalsContact O-CB 3.23Å; E720-A724 WeakPolarHBondContact O-CB 3.37Å; E720-A724 PolarHBondContact O-N 3.24Å; C721-A724 PolarHBondContact O-N 3.49Å; A724-K727 PolarHBondContact O-N 3.24Å; A724-L728 WeakPolarHBondContact O-CB 3.16Å; A724-L728 PolarHBondContact O-N 3.03Å
725	L	89.9	Confident	90.9	Very high	2 Å²	2	53 Å²	53	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-64	-42.2	175.5	-74.5	170	0	0	0	111.9	V693 F696 I697 V706 I710 L713 C721 K727 L728 S729	V693-L725 HydrophobicContact CG1-CB 3.63Å; V693-L725 HydrophobicContact CG1-CD1 4.01Å; V693-L725 HydrophobicContact CG1-CG 4.48Å; F696-L725 HydrophobicContact CE1-CD2 4.28Å; I697-L725 HydrophobicContact CD1-CD1 4.1Å; I697-L725 HydrophobicContact CG1-CD1 4.24Å; V706-L725 HydrophobicContact CG1-CD1 4.12Å; V706-L725 HydrophobicContact CG1-CD2 4.25Å; I710-L725 HydrophobicContact CD1-CD2 3.97Å; L713-L725 HydrophobicContact CD1-CD1 4.22Å; L713-L725 HydrophobicContact CD1-CD2 3.6Å; L713-L725 HydrophobicContact CD1-CG 3.82Å; C721-L725 WeakPolarHBondContact O-CB 3.49Å; C721-L725 VanDerWaalsContact O-CG 3.27Å; C721-L725 WeakPolarHBondContact O-CG 3.4Å; C721-L725 PolarHBondContact O-N 3.01Å; L725-K727 VanDerWaalsContact C-N 3.34Å; L725-K727 PolarHBondContact O-N 3.22Å; L725-L728 PolarHBondContact O-N 3.11Å; L725-S729 VanDerWaalsContact O-CB 3.28Å; L725-S729 WeakPolarHBondContact O-CB 3.15Å; L725-S729 PolarHBondContact O-N 3.44Å; L725-S729 PolarHBondContact O-OG 2.93Å
726	D	90.5	Very high	91.5	Very high	43 Å²	43	45.4 Å²	45.4	23%	0.23	23%	0.227	C	C	.	.	H	α-helix	trans	-60	-43.1	175.9	177.3	72.4	0	0	0	111.9	V693 L722 T723 K730	V693-D726 HydrophobicContact CG2-CB 4Å; L722-D726 WeakPolarHBondContact O-CB 3.5Å; L722-D726 PolarHBondContact O-N 2.99Å; T723-D726 PolarHBondContact O-N 2.84Å; D726-K730 VanDerWaalsContact CG-NZ 3.35Å; D726-K730 WeakPolarHBondContact O-CB 3.42Å; D726-K730 VanDerWaalsContact O-CG 3.31Å; D726-K730 WeakPolarHBondContact O-CG 3.32Å; D726-K730 PolarHBondContact O-N 3.46Å; D726-K730 VanDerWaalsContact OD1-CE 3.25Å; D726-K730 WeakPolarHBondContact OD1-CE 2.99Å; D726-K730 IonicContact OD1-NZ 3.74Å; D726-K730 PolarHBondContact OD1-NZ 3.44Å; D726-K730 WeakPolarHBondContact OD2-CE 3.29Å; D726-K730 IonicContact OD2-NZ 3.78Å; D726-K730 PolarHBondContact OD2-NZ 3.43Å
727	K	92.1	Very high	91.8	Very high	100 Å²	100	46.8 Å²	46.8	44%	0.435	24%	0.235	S	C	.	.	H	α-helix	trans	-63.1	-46.9	175.3	-165.9	-179.3	179.4	-179.5	0	111.1	L545 T723 A724 L725 K730 S731	L545-K727 HydrophobicContact CD2-CB 4.43Å; L545-K727 HydrophobicContact CD2-CD 3.96Å; L545-K727 HydrophobicContact CD2-CG 3.78Å; T723-K727 PolarHBondContact O-N 3.14Å; A724-K727 PolarHBondContact O-N 3.24Å; L725-K727 VanDerWaalsContact C-N 3.34Å; L725-K727 PolarHBondContact O-N 3.22Å; K727-K730 PolarHBondContact O-N 2.81Å; K727-S731 PolarHBondContact O-N 3.36Å; K727-S731 PolarHBondContact O-OG 3.4Å
728	L	93.9	Very high	92.2	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.4	-47.8	179.2	-177.7	59.8	0	0	0	111.9	F547 Y667 L669 I677 A724 L725 K730 S731 I732	F547-L728 HydrophobicContact CD1-CD1 3.85Å; F547-L728 HydrophobicContact CD2-CD1 4.11Å; F547-L728 HydrophobicContact CE1-CD1 3.83Å; F547-L728 HydrophobicContact CE2-CD1 4.08Å; F547-L728 HydrophobicContact CG-CD1 3.99Å; F547-L728 HydrophobicContact CZ-CD1 3.94Å; Y667-L728 HydrophobicContact CD2-CD1 3.9Å; Y667-L728 HydrophobicContact CD2-CD2 4.1Å; Y667-L728 HydrophobicContact CE2-CD1 4.35Å; Y667-L728 HydrophobicContact CE2-CD2 4.35Å; Y667-L728 HydrophobicContact CG-CD2 4.26Å; L669-L728 HydrophobicContact CD1-CD1 4.19Å; L669-L728 HydrophobicContact CD1-CD2 4.19Å; L669-L728 HydrophobicContact CD2-CD2 4.37Å; I677-L728 HydrophobicContact CD1-CD2 4.09Å; A724-L728 WeakPolarHBondContact O-CB 3.16Å; A724-L728 PolarHBondContact O-N 3.03Å; L725-L728 PolarHBondContact O-N 3.11Å; L728-K730 PolarHBondContact O-N 2.9Å; L728-S731 PolarHBondContact O-N 2.88Å; L728-I732 HydrophobicContact CD1-CD1 4.3Å; L728-I732 HydrophobicContact CG-CD1 4.16Å; L728-I732 WeakPolarHBondContact O-CG1 3.19Å; L728-I732 PolarHBondContact O-N 2.97Å
729	S	92.8	Very high	92.8	Very high	6 Å²	6	37 Å²	37	4%	0.042	19%	0.192	C	C	.	.	H	α-helix	trans	-58	-45.1	177.3	-69.6	0	0	0	0	112.3	I677 L725 I732 L733	I677-S729 VanDerWaalsContact CG2-OG 3.27Å; I677-S729 WeakPolarHBondContact CG2-OG 3.39Å; L725-S729 VanDerWaalsContact O-CB 3.28Å; L725-S729 WeakPolarHBondContact O-CB 3.15Å; L725-S729 PolarHBondContact O-N 3.44Å; L725-S729 PolarHBondContact O-OG 2.93Å; S729-I732 PolarHBondContact O-N 2.73Å; S729-L733 PolarHBondContact O-N 3.46Å
730	K	93.2	Very high	93.1	Very high	95 Å²	95	33.4 Å²	33.4	41%	0.413	18%	0.176	S	C	.	.	H	α-helix	trans	-64.5	-40.6	176.2	-74.9	169.9	-179	165.4	0	112.2	D726 K727 L728 L733 L734	D726-K730 VanDerWaalsContact CG-NZ 3.35Å; D726-K730 WeakPolarHBondContact O-CB 3.42Å; D726-K730 VanDerWaalsContact O-CG 3.31Å; D726-K730 WeakPolarHBondContact O-CG 3.32Å; D726-K730 PolarHBondContact O-N 3.46Å; D726-K730 VanDerWaalsContact OD1-CE 3.25Å; D726-K730 WeakPolarHBondContact OD1-CE 2.99Å; D726-K730 IonicContact OD1-NZ 3.74Å; D726-K730 PolarHBondContact OD1-NZ 3.44Å; D726-K730 WeakPolarHBondContact OD2-CE 3.29Å; D726-K730 IonicContact OD2-NZ 3.78Å; D726-K730 PolarHBondContact OD2-NZ 3.43Å; K727-K730 PolarHBondContact O-N 2.81Å; L728-K730 PolarHBondContact O-N 2.9Å; K730-L733 PolarHBondContact O-N 2.73Å; K730-L734 WeakPolarHBondContact O-CG 3.43Å; K730-L734 PolarHBondContact O-N 3.42Å; K730-L734 VanDerWaalsContact O-N 3.07Å
731	S	96.3	Very high	93.5	Very high	8 Å²	8	31.3 Å²	31.3	6%	0.056	17%	0.168	C	C	.	.	H	α-helix	trans	-63.4	-44.2	175.6	-70.2	0	0	0	0	111.7	V563 K727 L728 L733 L734 L735	V563-S731 WeakPolarHBondContact CG1-O 3.44Å; K727-S731 PolarHBondContact O-N 3.36Å; K727-S731 PolarHBondContact O-OG 3.4Å; L728-S731 PolarHBondContact O-N 2.88Å; S731-L733 PolarHBondContact O-N 2.68Å; S731-L734 PolarHBondContact O-N 3.24Å; S731-L735 VanDerWaalsContact O-CG 3.31Å; S731-L735 WeakPolarHBondContact O-CG 3.48Å; S731-L735 PolarHBondContact O-N 2.96Å
732	I	96.6	Very high	93.9	Very high	3 Å²	3	32 Å²	32	2%	0.015	17%	0.172	C	C	.	.	H	α-helix	trans	-60.6	-45	176.5	-69.4	171.2	0	0	0	110.9	F547 L669 I677 Y678 L728 S729 L734 L735 V736 M784	F547-I732 HydrophobicContact CE2-CG1 3.98Å; F547-I732 HydrophobicContact CZ-CG1 3.91Å; L669-I732 HydrophobicContact CD1-CD1 3.99Å; I677-I732 HydrophobicContact CB-CD1 4.11Å; I677-I732 HydrophobicContact CD1-CD1 4.15Å; I677-I732 HydrophobicContact CG2-CD1 3.82Å; Y678-I732 HydrophobicContact CD2-CG2 4.41Å; L728-I732 HydrophobicContact CD1-CD1 4.3Å; L728-I732 HydrophobicContact CG-CD1 4.16Å; L728-I732 WeakPolarHBondContact O-CG1 3.19Å; L728-I732 PolarHBondContact O-N 2.97Å; S729-I732 PolarHBondContact O-N 2.73Å; I732-L734 PolarHBondContact O-N 2.81Å; I732-L735 PolarHBondContact O-N 3.14Å; I732-V736 HydrophobicContact CG2-CG2 4.48Å; I732-V736 WeakPolarHBondContact O-CG2 3.24Å; I732-V736 PolarHBondContact O-N 3.02Å; I732-M784 HydrophobicContact CG2-CE 4.33Å; I732-M784 HydrophobicContact CG2-SD 4.02Å
733	L	95.1	Very high	94.2	Very high	53 Å²	53	32.7 Å²	32.7	28%	0.277	17%	0.172	S	C	.	.	H	α-helix	trans	-58	-47.4	177.6	-175	65.7	0	0	0	111.8	Y678 V681 T682 S729 K730 S731 L735 V736 D737	Y678-L733 HydrophobicContact CD2-CD1 4.42Å; Y678-L733 HydrophobicContact CE2-CD1 3.96Å; V681-L733 HydrophobicContact CG1-CD2 4.27Å; T682-L733 HydrophobicContact CG2-CD1 4.29Å; S729-L733 PolarHBondContact O-N 3.46Å; K730-L733 PolarHBondContact O-N 2.73Å; S731-L733 PolarHBondContact O-N 2.68Å; L733-L735 VanDerWaalsContact C-N 3.34Å; L733-L735 PolarHBondContact O-N 2.61Å; L733-V736 PolarHBondContact O-N 3.16Å; L733-D737 VanDerWaalsContact O-CG 3.32Å; L733-D737 PolarHBondContact O-N 3.27Å
734	L	95.2	Very high	94.5	Very high	26 Å²	26	34.4 Å²	34.4	14%	0.136	17%	0.173	C	C	.	.	H	α-helix	trans	-62.6	-39.8	177.4	-70.4	169.8	0	0	0	112.3	V563 W565 L580 K730 S731 I732 V736 D737 I738	V563-L734 HydrophobicContact CG1-CB 3.91Å; V563-L734 HydrophobicContact CG1-CD1 4.35Å; V563-L734 HydrophobicContact CG2-CB 3.97Å; V563-L734 HydrophobicContact CG2-CD1 4.35Å; W565-L734 HydrophobicContact CZ2-CD2 3.66Å; L580-L734 HydrophobicContact CD1-CD1 4.35Å; K730-L734 WeakPolarHBondContact O-CG 3.43Å; K730-L734 PolarHBondContact O-N 3.42Å; K730-L734 VanDerWaalsContact O-N 3.07Å; S731-L734 PolarHBondContact O-N 3.24Å; I732-L734 PolarHBondContact O-N 2.81Å; L734-V736 VanDerWaalsContact C-N 3.34Å; L734-D737 PolarHBondContact O-N 3.21Å; L734-I738 VanDerWaalsContact O-CD1 3.3Å; L734-I738 WeakPolarHBondContact O-CD1 3.34Å; L734-I738 WeakPolarHBondContact O-CG1 3.5Å; L734-I738 PolarHBondContact O-N 2.91Å
735	L	98	Very high	94.7	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-61.9	-42.8	176.4	-70.9	172.5	0	0	0	111.4	F547 L561 V563 L582 S731 I732 L733 A739 T787 L791	F547-L735 HydrophobicContact CE1-CD1 4.48Å; F547-L735 HydrophobicContact CE2-CD1 4.2Å; F547-L735 HydrophobicContact CZ-CD1 3.65Å; L561-L735 HydrophobicContact CB-CD1 4.04Å; L561-L735 HydrophobicContact CB-CD2 4.43Å; L561-L735 HydrophobicContact CD1-CD1 4.09Å; V563-L735 HydrophobicContact CB-CD2 3.92Å; V563-L735 HydrophobicContact CB-CG 4.31Å; V563-L735 HydrophobicContact CG1-CD2 4.05Å; V563-L735 HydrophobicContact CG1-CG 3.88Å; L582-L735 HydrophobicContact CD1-CD2 3.68Å; S731-L735 VanDerWaalsContact O-CG 3.31Å; S731-L735 WeakPolarHBondContact O-CG 3.48Å; S731-L735 PolarHBondContact O-N 2.96Å; I732-L735 PolarHBondContact O-N 3.14Å; L733-L735 VanDerWaalsContact C-N 3.34Å; L733-L735 PolarHBondContact O-N 2.61Å; L735-A739 WeakPolarHBondContact O-CB 3.5Å; L735-A739 PolarHBondContact O-N 3.39Å; L735-T787 HydrophobicContact CB-CG2 4.23Å; L735-L791 HydrophobicContact CB-CD1 4.37Å; L735-L791 HydrophobicContact CD2-CD1 3.87Å
736	V	96.8	Very high	94.9	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.012	19%	0.189	C	C	.	.	H	α-helix	trans	-64.9	-43.5	176.8	175.9	0	0	0	0	111.2	Y678 I732 L733 L734 I738 A739 S740 E783 M784 T787	Y678-V736 HydrophobicContact CD2-CB 4.38Å; Y678-V736 HydrophobicContact CD2-CG2 3.84Å; Y678-V736 HydrophobicContact CE2-CB 3.9Å; Y678-V736 HydrophobicContact CE2-CG1 3.71Å; Y678-V736 HydrophobicContact CE2-CG2 3.82Å; I732-V736 HydrophobicContact CG2-CG2 4.48Å; I732-V736 WeakPolarHBondContact O-CG2 3.24Å; I732-V736 PolarHBondContact O-N 3.02Å; L733-V736 PolarHBondContact O-N 3.16Å; L734-V736 VanDerWaalsContact C-N 3.34Å; V736-I738 PolarHBondContact O-N 2.98Å; V736-A739 PolarHBondContact O-N 3.01Å; V736-S740 VanDerWaalsContact O-CB 3.23Å; V736-S740 WeakPolarHBondContact O-CB 3.23Å; V736-S740 PolarHBondContact O-N 3.01Å; V736-S740 PolarHBondContact O-OG 3.33Å; V736-E783 HydrophobicContact CG1-CG 4.18Å; V736-M784 HydrophobicContact CG2-CE 3.45Å; V736-M784 VanDerWaalsContact CG2-CE 3.45Å; V736-T787 HydrophobicContact CG2-CG2 4.17Å
737	D	94	Very high	95.1	Very high	83 Å²	83	39.8 Å²	39.8	44%	0.444	19%	0.19	S	C	.	.	H	α-helix	trans	-59.7	-46.6	178.5	-71.8	-19.1	0	0	0	111.3	L733 L734 N741	L733-D737 VanDerWaalsContact O-CG 3.32Å; L733-D737 PolarHBondContact O-N 3.27Å; L734-D737 PolarHBondContact O-N 3.21Å; D737-N741 PolarHBondContact O-N 2.83Å; D737-N741 VanDerWaalsContact O-N 3.15Å
738	I	96.2	Very high	95.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65.4	-50.2	177.7	-61.8	159.7	0	0	0	110.4	V563 L580 L582 I646 F651 L734 V736 S740 N741 V742 L791	V563-I738 HydrophobicContact CG2-CD1 3.85Å; L580-I738 HydrophobicContact CD2-CD1 3.32Å; L580-I738 HydrophobicContact CD2-CG1 3.92Å; L582-I738 HydrophobicContact CD1-CD1 4.23Å; L582-I738 HydrophobicContact CD2-CG2 4.15Å; I646-I738 HydrophobicContact CD1-CG2 4.19Å; F651-I738 HydrophobicContact CE2-CB 4.5Å; F651-I738 HydrophobicContact CE2-CG2 4.21Å; F651-I738 HydrophobicContact CZ-CB 4.48Å; F651-I738 HydrophobicContact CZ-CG2 3.85Å; L734-I738 VanDerWaalsContact O-CD1 3.3Å; L734-I738 WeakPolarHBondContact O-CD1 3.34Å; L734-I738 WeakPolarHBondContact O-CG1 3.5Å; L734-I738 PolarHBondContact O-N 2.91Å; V736-I738 PolarHBondContact O-N 2.98Å; I738-S740 VanDerWaalsContact C-N 3.28Å; I738-S740 PolarHBondContact O-N 2.74Å; I738-N741 PolarHBondContact O-N 3.03Å; I738-N741 VanDerWaalsContact O-N 3.16Å; I738-V742 HydrophobicContact CG2-CG2 4.28Å; I738-V742 WeakPolarHBondContact O-CG2 3.37Å; I738-V742 PolarHBondContact O-N 2.84Å; I738-L791 HydrophobicContact CG2-CD2 4.43Å
739	A	97.2	Very high	95.1	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.008	23%	0.228	C	C	.	.	H	α-helix	trans	-60.5	-41.2	-177.9	0	0	0	0	0	111.1	L735 V736 N741 V742 R743 T787 E790 L791	L735-A739 WeakPolarHBondContact O-CB 3.5Å; L735-A739 PolarHBondContact O-N 3.39Å; V736-A739 PolarHBondContact O-N 3.01Å; A739-N741 PolarHBondContact O-N 2.76Å; A739-V742 PolarHBondContact O-N 3.44Å; A739-R743 WeakPolarHBondContact O-CB 3.41Å; A739-R743 PolarHBondContact O-N 3.11Å; A739-T787 HydrophobicContact CB-CG2 3.81Å; A739-E790 HydrophobicContact CB-CB 4.26Å; A739-L791 HydrophobicContact CB-CD2 4.3Å; A739-L791 HydrophobicContact CB-CG 4.2Å
740	S	95.7	Very high	95.1	Very high	38 Å²	38	45.1 Å²	45.1	27%	0.266	23%	0.226	S	C	.	.	H	α-helix	trans	-59.7	-45.5	175.2	-63	0	0	0	0	111.7	V736 I738 R743 E744	V736-S740 VanDerWaalsContact O-CB 3.23Å; V736-S740 WeakPolarHBondContact O-CB 3.23Å; V736-S740 PolarHBondContact O-N 3.01Å; V736-S740 PolarHBondContact O-OG 3.33Å; I738-S740 VanDerWaalsContact C-N 3.28Å; I738-S740 PolarHBondContact O-N 2.74Å; S740-R743 WeakPolarHBondContact O-CB 3.42Å; S740-R743 PolarHBondContact O-N 2.89Å; S740-E744 WeakPolarHBondContact O-CB 3.48Å; S740-E744 WeakPolarHBondContact O-CG 3.32Å; S740-E744 PolarHBondContact O-N 3Å
741	N	94.8	Very high	95.1	Very high	49 Å²	49	40.6 Å²	40.6	26%	0.262	21%	0.207	S	C	.	.	H	α-helix	trans	-66.8	-42.5	178.3	-166.3	-51.9	0	0	0	112.4	F651 D737 I738 A739 R743 E744 R745	F651-N741 HydrophobicContact CD1-CB 4.45Å; F651-N741 VanDerWaalsContact CD1-OD1 3.27Å; F651-N741 WeakPolarHBondContact CD1-OD1 3.48Å; F651-N741 HydrophobicContact CD2-CB 4.27Å; F651-N741 HydrophobicContact CE1-CB 3.93Å; F651-N741 WeakPolarHBondContact CE1-OD1 3.25Å; F651-N741 HydrophobicContact CE2-CB 3.73Å; F651-N741 HydrophobicContact CZ-CB 3.54Å; D737-N741 PolarHBondContact O-N 2.83Å; D737-N741 VanDerWaalsContact O-N 3.15Å; I738-N741 PolarHBondContact O-N 3.03Å; I738-N741 VanDerWaalsContact O-N 3.16Å; A739-N741 PolarHBondContact O-N 2.76Å; N741-R743 VanDerWaalsContact C-N 3.33Å; N741-R743 PolarHBondContact O-N 2.91Å; N741-E744 PolarHBondContact O-N 3.09Å; N741-R745 WeakPolarHBondContact O-CG 3.24Å; N741-R745 PolarHBondContact O-N 3.35Å; N741-R745 WeakPolarHBondContact OD1-CD 3.48Å; N741-R745 PolarHBondContact OD1-NE 2.85Å
742	V	95.1	Very high	94.9	Very high	13 Å²	13	41 Å²	41	8%	0.079	21%	0.208	C	C	.	.	H	α-helix	trans	-59.5	-46.2	173.9	177.3	0	0	0	0	110.5	F651 I738 A739 R745 R746 E790 F794	F651-V742 HydrophobicContact CE1-CG2 3.76Å; F651-V742 HydrophobicContact CZ-CG2 3.82Å; I738-V742 HydrophobicContact CG2-CG2 4.28Å; I738-V742 WeakPolarHBondContact O-CG2 3.37Å; I738-V742 PolarHBondContact O-N 2.84Å; A739-V742 PolarHBondContact O-N 3.44Å; V742-R745 PolarHBondContact O-N 2.76Å; V742-R746 WeakPolarHBondContact O-CB 3.33Å; V742-R746 PolarHBondContact O-N 3.33Å; V742-E790 HydrophobicContact CB-CG 4.01Å; V742-E790 HydrophobicContact CG1-CG 3.84Å; V742-F794 HydrophobicContact CG1-CB 4.33Å; V742-F794 HydrophobicContact CG1-CD2 3.63Å; V742-F794 HydrophobicContact CG1-CE2 4.21Å; V742-F794 HydrophobicContact CG1-CG 4.27Å; V742-F794 HydrophobicContact CG2-CD2 4.12Å; V742-F794 HydrophobicContact CG2-CE2 4.11Å
743	R	95.5	Very high	94.4	Very high	49 Å²	49	44.5 Å²	44.5	19%	0.185	22%	0.224	C	C	.	.	H	α-helix	trans	-59.1	-51.8	177.7	-179.1	178.9	177.8	-172.8	0.6	110.9	A739 S740 N741 R745 R746 L747 E753 E783 N786 E790	A739-R743 WeakPolarHBondContact O-CB 3.41Å; A739-R743 PolarHBondContact O-N 3.11Å; S740-R743 WeakPolarHBondContact O-CB 3.42Å; S740-R743 PolarHBondContact O-N 2.89Å; N741-R743 VanDerWaalsContact C-N 3.33Å; N741-R743 PolarHBondContact O-N 2.91Å; R743-R745 VanDerWaalsContact C-N 3.33Å; R743-R745 PolarHBondContact O-N 2.88Å; R743-R746 CarbonylContact O-C 3.57Å; R743-R746 WeakPolarHBondContact O-CB 3.04Å; R743-R746 PolarHBondContact O-N 3.27Å; R743-L747 HydrophobicContact CG-CD1 4.02Å; R743-L747 HydrophobicContact CG-CG 4.25Å; R743-L747 VanDerWaalsContact O-CG 3.29Å; R743-L747 WeakPolarHBondContact O-CG 3.48Å; R743-L747 PolarHBondContact O-N 3.27Å; R743-E753 IonicContact CZ-OE1 3.9Å; R743-E753 IonicContact NE-OE1 3.06Å; R743-E753 PolarHBondContact NE-OE1 2.73Å; R743-E753 VanDerWaalsContact NH2-CD 3.28Å; R743-E753 IonicContact NH2-OE1 3.08Å; R743-E753 PolarHBondContact NH2-OE1 2.77Å; R743-E753 IonicContact NH2-OE2 3.21Å; R743-E753 PolarHBondContact NH2-OE2 2.95Å; R743-E783 IonicContact NH1-OE2 2.64Å; R743-N786 PolarHBondContact NH1-ND2 3.21Å; R743-N786 VanDerWaalsContact NH1-ND2 3.17Å; R743-E790 HydrophobicContact CB-CG 3.94Å
744	E	94.7	Very high	93.9	Very high	132 Å²	132	44.7 Å²	44.7	62%	0.617	23%	0.225	S	C	*	.	H	α-helix	trans	-56.5	-45.3	178.1	-76.4	-178	173.9	0	0	112.4	S740 N741 R746 L747 A748	S740-E744 WeakPolarHBondContact O-CB 3.48Å; S740-E744 WeakPolarHBondContact O-CG 3.32Å; S740-E744 PolarHBondContact O-N 3Å; N741-E744 PolarHBondContact O-N 3.09Å; E744-R746 VanDerWaalsContact C-N 3.31Å; E744-R746 PolarHBondContact O-N 2.74Å; E744-L747 PolarHBondContact O-N 3.31Å; E744-A748 WeakPolarHBondContact O-CB 3.35Å; E744-A748 PolarHBondContact O-N 3.05Å
745	R	94.3	Very high	92.9	Very high	105 Å²	105	46.7 Å²	46.7	40%	0.396	23%	0.234	S	C	.	.	H	α-helix	trans	-62.1	-37.3	176	-71.9	177	178.1	-136.6	-14.7	112.1	S650 F651 N741 V742 R743 K749	S650-R745 PolarHBondContact O-NH2 3.17Å; S650-R745 VanDerWaalsContact O-NH2 3.1Å; F651-R745 PolarHBondContact O-NH1 2.96Å; F651-R745 VanDerWaalsContact O-NH1 3.15Å; N741-R745 WeakPolarHBondContact O-CG 3.24Å; N741-R745 PolarHBondContact O-N 3.35Å; N741-R745 WeakPolarHBondContact OD1-CD 3.48Å; N741-R745 PolarHBondContact OD1-NE 2.85Å; V742-R745 PolarHBondContact O-N 2.76Å; R743-R745 VanDerWaalsContact C-N 3.33Å; R743-R745 PolarHBondContact O-N 2.88Å; R745-K749 WeakPolarHBondContact O-CG 3.39Å; R745-K749 PolarHBondContact O-N 3.47Å
746	R	95.2	Very high	91.9	Very high	23 Å²	23	50.5 Å²	50.5	9%	0.087	26%	0.261	C	S	.	.	H	α-helix	trans	-70.3	-44.2	176.2	-175.7	177.9	58.8	72.3	1.1	111.6	V742 R743 E744 A748 K749 G750 G751 E790 L896	V742-R746 WeakPolarHBondContact O-CB 3.33Å; V742-R746 PolarHBondContact O-N 3.33Å; R743-R746 CarbonylContact O-C 3.57Å; R743-R746 WeakPolarHBondContact O-CB 3.04Å; R743-R746 PolarHBondContact O-N 3.27Å; E744-R746 VanDerWaalsContact C-N 3.31Å; E744-R746 PolarHBondContact O-N 2.74Å; R746-A748 VanDerWaalsContact C-N 3.34Å; R746-A748 PolarHBondContact O-N 2.75Å; R746-K749 WeakPolarHBondContact O-CB 3.36Å; R746-K749 PolarHBondContact O-N 2.74Å; R746-K749 VanDerWaalsContact O-N 3.13Å; R746-G750 PolarHBondContact O-N 2.9Å; R746-G751 PolarHBondContact O-N 2.82Å; R746-E790 WeakPolarHBondContact CD-OE1 3.49Å; R746-E790 IonicContact CZ-OE1 3.41Å; R746-E790 IonicContact CZ-OE2 3.88Å; R746-E790 VanDerWaalsContact CZ-OE2 3.28Å; R746-E790 IonicContact NE-OE1 3.56Å; R746-E790 PolarHBondContact NE-OE1 3.07Å; R746-E790 IonicContact NE-OE2 3.8Å; R746-E790 PolarHBondContact NE-OE2 3.04Å; R746-E790 IonicContact NH2-OE1 2.86Å; R746-E790 IonicContact NH2-OE2 3.71Å; R746-E790 PolarHBondContact NH2-OE2 2.82Å; R746-L896 VanDerWaalsContact CD-O 3.29Å; R746-L896 WeakPolarHBondContact CD-O 3.11Å; R746-L896 WeakPolarHBondContact CG-O 3.48Å
747	L	94.3	Very high	90.9	Very high	48 Å²	48	52.4 Å²	52.4	25%	0.251	27%	0.272	S	S	.	.	H	α-helix	trans	-64.1	-38.8	176.8	-64.8	-178.7	0	0	0	111.8	R743 E744 K749 G750 G751 E753	R743-L747 HydrophobicContact CG-CD1 4.02Å; R743-L747 HydrophobicContact CG-CG 4.25Å; R743-L747 VanDerWaalsContact O-CG 3.29Å; R743-L747 WeakPolarHBondContact O-CG 3.48Å; R743-L747 PolarHBondContact O-N 3.27Å; E744-L747 PolarHBondContact O-N 3.31Å; L747-K749 PolarHBondContact O-N 2.81Å; L747-G750 WeakPolarHBondContact O-CA 3.16Å; L747-G750 PolarHBondContact O-N 2.93Å; L747-G751 VanDerWaalsContact CD2-O 3.32Å; L747-G751 WeakPolarHBondContact CD2-O 3.5Å; L747-E753 HydrophobicContact CD1-CG 4.45Å; L747-E753 WeakPolarHBondContact CD1-OE1 3.26Å; L747-E753 HydrophobicContact CD2-CG 3.53Å
748	A	94.4	Very high	90.4	Very high	72 Å²	72	53.2 Å²	53.2	60%	0.595	27%	0.273	S	S	*	.	H	α-helix	trans	-60.3	-26.6	174.3	0	0	0	0	0	113	E744 R746 G750	E744-A748 WeakPolarHBondContact O-CB 3.35Å; E744-A748 PolarHBondContact O-N 3.05Å; R746-A748 VanDerWaalsContact C-N 3.34Å; R746-A748 PolarHBondContact O-N 2.75Å; A748-G750 VanDerWaalsContact C-N 3.32Å
749	K	92.3	Very high	90	Very high	145 Å²	145	54 Å²	54	63%	0.63	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-1.5	173.7	-66.4	173.5	-175.8	176.8	0	113.6	R745 R746 L747 A897	R745-K749 WeakPolarHBondContact O-CG 3.39Å; R745-K749 PolarHBondContact O-N 3.47Å; R746-K749 WeakPolarHBondContact O-CB 3.36Å; R746-K749 PolarHBondContact O-N 2.74Å; R746-K749 VanDerWaalsContact O-N 3.13Å; L747-K749 PolarHBondContact O-N 2.81Å; K749-A897 HydrophobicContact CB-CB 4.09Å; K749-A897 WeakPolarHBondContact O-CB 3.45Å
750	G	92.7	Very high	89.5	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	100	22.2	179.1	0	0	0	0	0	115	R746 L747 A748 L752 N843	R746-G750 PolarHBondContact O-N 2.9Å; L747-G750 WeakPolarHBondContact O-CA 3.16Å; L747-G750 PolarHBondContact O-N 2.93Å; A748-G750 VanDerWaalsContact C-N 3.32Å; G750-L752 PolarHBondContact O-N 2.85Å; G750-N843 VanDerWaalsContact O-CB 3.27Å; G750-N843 WeakPolarHBondContact O-CB 3.4Å; G750-N843 VanDerWaalsContact O-CG 3.25Å; G750-N843 PolarHBondContact O-ND2 3.07Å
751	G	93.4	Very high	89.2	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.01	29%	0.289	C	S	.	.			trans	-56	134.5	169.4	0	0	0	0	0	110.7	R746 L747 A897	R746-G751 PolarHBondContact O-N 2.82Å; L747-G751 VanDerWaalsContact CD2-O 3.32Å; L747-G751 WeakPolarHBondContact CD2-O 3.5Å; G751-A897 VanDerWaalsContact N-CB 3.31Å
752	L	91.4	Very high	89	Confident	16 Å²	16	57.4 Å²	57.4	8%	0.084	30%	0.296	C	S	.	.			trans	-94.1	131.5	-179.7	-65	176.9	0	0	0	110.3	G750 L754 N843 L846 A847 M873 Y894 G895	G750-L752 PolarHBondContact O-N 2.85Å; L752-L754 HydrophobicContact CB-CG 4.19Å; L752-N843 HydrophobicContact CD2-CB 4.5Å; L752-N843 WeakPolarHBondContact CD2-O 3.19Å; L752-N843 HydrophobicContact CG-CB 4.4Å; L752-L846 HydrophobicContact CD1-CD2 4.05Å; L752-L846 HydrophobicContact CD2-CB 4.12Å; L752-L846 HydrophobicContact CD2-CD2 4.06Å; L752-L846 HydrophobicContact CD2-CG 4.02Å; L752-A847 HydrophobicContact CD2-CB 4.03Å; L752-M873 HydrophobicContact CD1-SD 4.18Å; L752-Y894 HydrophobicContact CD1-CD1 4.07Å; L752-Y894 HydrophobicContact CD1-CE1 3.74Å; L752-G895 PolarHBondContact N-O 2.89Å
753	E	86.9	Confident	88.7	Confident	77 Å²	77	57.3 Å²	57.3	36%	0.36	29%	0.294	S	S	.	.			trans	-104.3	98.7	169.3	-58.7	-164.2	143.9	0	0	108.5	R743 L747 R866	R743-E753 IonicContact CZ-OE1 3.9Å; R743-E753 IonicContact NE-OE1 3.06Å; R743-E753 PolarHBondContact NE-OE1 2.73Å; R743-E753 VanDerWaalsContact NH2-CD 3.28Å; R743-E753 IonicContact NH2-OE1 3.08Å; R743-E753 PolarHBondContact NH2-OE1 2.77Å; R743-E753 IonicContact NH2-OE2 3.21Å; R743-E753 PolarHBondContact NH2-OE2 2.95Å; L747-E753 HydrophobicContact CD1-CG 4.45Å; L747-E753 WeakPolarHBondContact CD1-OE1 3.26Å; L747-E753 HydrophobicContact CD2-CG 3.53Å; E753-R866 WeakPolarHBondContact O-CD 3.33Å; E753-R866 PolarHBondContact O-NE 3.36Å
754	L	84.5	Confident	88.4	Confident	56 Å²	56	57 Å²	57	29%	0.293	30%	0.302	S	S	.	.			trans	-103.2	144.5	179.7	-63.5	179.7	0	0	0	108.7	L752 L850 V869 T870 M873	L752-L754 HydrophobicContact CB-CG 4.19Å; L754-L850 HydrophobicContact CD2-CD1 4.3Å; L754-V869 HydrophobicContact CD2-CB 4.15Å; L754-V869 HydrophobicContact CD2-CG1 3.66Å; L754-T870 WeakPolarHBondContact CB-OG1 3.13Å; L754-M873 HydrophobicContact CD1-CG 3.78Å
755	E	74.1	Confident	88	Confident	68 Å²	68	54.9 Å²	54.9	32%	0.318	30%	0.295	S	S	.	.			trans	-108.9	135.3	178.6	-71.5	175	-141.6	0	0	109.9	K863 R866 Q867	E755-K863 WeakPolarHBondContact OE2-CA 3.17Å; E755-K863 WeakPolarHBondContact OE2-CB 3.42Å; E755-K863 VanDerWaalsContact OE2-CG 3.25Å; E755-K863 WeakPolarHBondContact OE2-CG 3.33Å; E755-R866 HydrophobicContact CB-CB 3.92Å; E755-R866 HydrophobicContact CG-CB 4.41Å; E755-R866 VanDerWaalsContact OE1-CD 3.29Å; E755-R866 WeakPolarHBondContact OE1-CD 3.37Å; E755-R866 IonicContact OE1-CZ 2.64Å; E755-R866 IonicContact OE1-NE 2.77Å; E755-R866 IonicContact OE1-NH1 3.28Å; E755-R866 PolarHBondContact OE1-NH1 2.71Å; E755-Q867 VanDerWaalsContact O-CG 3.31Å; E755-Q867 WeakPolarHBondContact O-CG 3.28Å
756	S	76.1	Confident	87.4	Confident	82 Å²	82	54 Å²	54	57%	0.573	30%	0.303	S	S	*	.			trans	-123.4	133.1	163	52.1	0	0	0	0	108.1	E758	S756-E758 PolarHBondContact O-N 2.85Å
757	V	76.3	Confident	86.6	Confident	43 Å²	43	62.4 Å²	62.4	26%	0.261	34%	0.343	S	S	.	.			trans	-77.2	108.2	170.9	167.9	0	0	0	0	107.5	V759 P778 F1019	V757-V759 HydrophobicContact CG1-CG2 3.99Å; V757-P778 HydrophobicContact CG1-CB 4.16Å; V757-F1019 HydrophobicContact CB-CZ 4.05Å; V757-F1019 HydrophobicContact CG1-CZ 4.41Å; V757-F1019 HydrophobicContact CG2-CE1 4.42Å; V757-F1019 HydrophobicContact CG2-CZ 4.07Å
758	E	83.6	Confident	85.9	Confident	99 Å²	99	64.2 Å²	64.2	46%	0.463	36%	0.356	S	S	.	.			trans	-90.1	131.2	169.3	-67.2	-170.2	-178.2	0	0	109.1	S756 P778 K779	S756-E758 PolarHBondContact O-N 2.85Å; E758-P778 CarbonylContact O-C 3.58Å; E758-P778 WeakPolarHBondContact O-CA 3.37Å; E758-K779 HydrophobicContact CB-CB 4.38Å; E758-K779 HydrophobicContact CB-CD 3.87Å; E758-K779 HydrophobicContact CB-CG 4.16Å; E758-K779 PolarHBondContact O-N 3.35Å; E758-K779 WeakPolarHBondContact OE2-CD 3.42Å; E758-K779 WeakPolarHBondContact OE2-CE 3.42Å; E758-K779 IonicContact OE2-NZ 2.84Å; E758-K779 PolarHBondContact OE2-NZ 2.97Å
759	V	87.2	Confident	85.3	Confident	16 Å²	16	65.8 Å²	65.8	10%	0.097	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	130	-179.7	-179.3	0	0	0	0	108.8	V757 L776 L983	V757-V759 HydrophobicContact CG1-CG2 3.99Å; V759-L776 HydrophobicContact CG1-CB 3.96Å; V759-L776 HydrophobicContact CG1-CD2 4.5Å; V759-L983 HydrophobicContact CB-CD1 4.37Å; V759-L983 HydrophobicContact CB-CD2 4.41Å
760	S	86.9	Confident	84.9	Confident	61 Å²	61	62.1 Å²	62.1	43%	0.427	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	136	172.5	-168.4	0	0	0	0	109.8	I777	S760-I777 PolarHBondContact N-O 3.39Å; S760-I777 PolarHBondContact O-N 3.04Å
761	V	90.3	Very high	84.5	Confident	15 Å²	15	64.7 Å²	64.7	9%	0.091	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	120.8	175.2	-176.4	0	0	0	0	108.5	A613 F763 L773 L776 L983 F986	A613-V761 HydrophobicContact CB-CB 4.47Å; A613-V761 HydrophobicContact CB-CG2 3.92Å; V761-F763 HydrophobicContact CB-CE2 3.87Å; V761-F763 HydrophobicContact CB-CZ 4.2Å; V761-F763 HydrophobicContact CG1-CD2 4.3Å; V761-F763 HydrophobicContact CG1-CE1 4.29Å; V761-F763 HydrophobicContact CG1-CE2 3.71Å; V761-F763 HydrophobicContact CG1-CZ 3.7Å; V761-F763 WeakPolarHBondContact O-CD2 3.27Å; V761-F763 WeakPolarHBondContact O-CE2 3.14Å; V761-L773 HydrophobicContact CG1-CD2 3.73Å; V761-L776 HydrophobicContact CB-CD2 4.32Å; V761-L776 HydrophobicContact CG1-CD2 4.22Å; V761-L776 HydrophobicContact CG2-CD2 3.85Å; V761-L983 HydrophobicContact CG2-CD1 3.97Å; V761-F986 HydrophobicContact CG1-CD1 4.16Å; V761-F986 HydrophobicContact CG2-CB 4.1Å
762	Q	89.4	Confident	84.2	Confident	85 Å²	85	70.8 Å²	70.8	40%	0.397	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	120.3	177.8	-168.9	177	14.2	0	0	110.4	E774 D775	Q762-E774 HydrophobicContact CG-CB 4.27Å; Q762-E774 PolarHBondContact O-N 3.36Å; Q762-D775 WeakPolarHBondContact CB-O 3.39Å; Q762-D775 PolarHBondContact N-O 3.03Å
763	F	89.5	Confident	84.1	Confident	11 Å²	11	70.7 Å²	70.7	5%	0.048	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	149.1	178.2	-63.3	-92.7	0	0	0	110.7	A613 D614 V761 N765 P766 R769 L773 F986	A613-F763 WeakPolarHBondContact O-CE2 3.14Å; D614-F763 HydrophobicContact CB-CE1 4.38Å; D614-F763 HydrophobicContact CB-CZ 4.08Å; V761-F763 HydrophobicContact CB-CE2 3.87Å; V761-F763 HydrophobicContact CB-CZ 4.2Å; V761-F763 HydrophobicContact CG1-CD2 4.3Å; V761-F763 HydrophobicContact CG1-CE1 4.29Å; V761-F763 HydrophobicContact CG1-CE2 3.71Å; V761-F763 HydrophobicContact CG1-CZ 3.7Å; V761-F763 WeakPolarHBondContact O-CD2 3.27Å; V761-F763 WeakPolarHBondContact O-CE2 3.14Å; F763-N765 PolarHBondContact O-N 3.06Å; F763-P766 WeakPolarHBondContact O-CD 3.35Å; F763-R769 WeakPolarHBondContact CD1-O 3.39Å; F763-R769 HydrophobicContact CD2-CB 3.84Å; F763-R769 HydrophobicContact CD2-CG 4.19Å; F763-R769 WeakPolarHBondContact CE1-O 3.46Å; F763-R769 HydrophobicContact CE2-CB 3.96Å; F763-R769 HydrophobicContact CE2-CG 4.38Å; F763-R769 HydrophobicContact CG-CB 4.2Å; F763-R769 HydrophobicContact CZ-CB 4.4Å; F763-L773 HydrophobicContact CD1-CD2 3.64Å; F763-L773 HydrophobicContact CE1-CD2 3.46Å; F763-L773 VanDerWaalsContact CE1-CD2 3.46Å; F763-L773 HydrophobicContact CZ-CD2 4.18Å; F763-F986 HydrophobicContact CE1-CD1 4.23Å; F763-F986 AromaticContact CE1-CE1 3.72Å; F763-F986 HydrophobicContact CE1-CE1 3.72Å; F763-F986 HydrophobicContact CZ-CD1 4.1Å; F763-F986 AromaticContact CZ-CE1 3.78Å; F763-F986 HydrophobicContact CZ-CE1 3.78Å
764	A	89.4	Confident	84.2	Confident	42 Å²	42	71.8 Å²	71.8	35%	0.347	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	-34.5	172.8	0	0	0	0	0	112.6	P766 K772 E774	A764-P766 WeakPolarHBondContact O-CD 3.25Å; A764-K772 HydrophobicContact CB-CB 4.41Å; A764-K772 WeakPolarHBondContact CB-O 3.08Å; A764-K772 PolarHBondContact N-O 2.91Å; A764-E774 HydrophobicContact CB-CG 4.2Å
765	N	86.4	Confident	84.5	Confident	87 Å²	87	71.1 Å²	71.1	47%	0.465	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	92	169.5	-58.3	-30.8	0	0	0	109.3	F763 E767 T768 R769 T770	F763-N765 PolarHBondContact O-N 3.06Å; N765-E767 VanDerWaalsContact C-N 3.33Å; N765-E767 PolarHBondContact O-N 3.45Å; N765-T768 WeakPolarHBondContact CB-OG1 3.4Å; N765-R769 VanDerWaalsContact O-CA 3.3Å; N765-R769 WeakPolarHBondContact O-CA 3.31Å; N765-R769 PolarHBondContact O-N 2.63Å; N765-T770 WeakPolarHBondContact CB-O 3.4Å; N765-T770 PolarHBondContact N-O 3.48Å; N765-T770 VanDerWaalsContact N-O 3.14Å; N765-T770 PolarHBondContact ND2-OG1 3.21Å; N765-T770 PolarHBondContact O-N 2.91Å
766	P	82	Confident	85.3	Confident	88 Å²	88	68 Å²	68	57%	0.571	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-35.5	-175	-25.1	34.4	0	0	0	114.1	F763 A764 R769	F763-P766 WeakPolarHBondContact O-CD 3.35Å; A764-P766 WeakPolarHBondContact O-CD 3.25Å; P766-R769 WeakPolarHBondContact O-CG 3.38Å; P766-R769 PolarHBondContact O-N 3.22Å
767	E	77.5	Confident	85.9	Confident	198 Å²	198	67.8 Å²	67.8	93%	0.925	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-43.9	-177	-64.7	-176.6	177	0	0	112.3	N765	N765-E767 VanDerWaalsContact C-N 3.33Å; N765-E767 PolarHBondContact O-N 3.45Å
768	T	80.2	Confident	86.4	Confident	86 Å²	86	68.1 Å²	68.1	53%	0.528	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-10.6	178.5	56.6	0	0	0	0	112.6	N765 T770	N765-T768 WeakPolarHBondContact CB-OG1 3.4Å; T768-T770 VanDerWaalsContact C-N 3.26Å; T768-T770 WeakPolarHBondContact O-CG2 3.45Å; T768-T770 PolarHBondContact O-N 3.39Å; T768-T770 PolarHBondContact OG1-OG1 3.2Å
769	R	82.4	Confident	86.4	Confident	106 Å²	106	68.7 Å²	68.7	40%	0.4	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	44.9	-172.5	-60.4	-176.1	-179.3	-176.2	1.2	112.6	D614 F763 N765 P766	D614-R769 VanDerWaalsContact O-CB 3.29Å; D614-R769 WeakPolarHBondContact O-CB 3.33Å; D614-R769 WeakPolarHBondContact O-CD 3.42Å; F763-R769 WeakPolarHBondContact CD1-O 3.39Å; F763-R769 HydrophobicContact CD2-CB 3.84Å; F763-R769 HydrophobicContact CD2-CG 4.19Å; F763-R769 WeakPolarHBondContact CE1-O 3.46Å; F763-R769 HydrophobicContact CE2-CB 3.96Å; F763-R769 HydrophobicContact CE2-CG 4.38Å; F763-R769 HydrophobicContact CG-CB 4.2Å; F763-R769 HydrophobicContact CZ-CB 4.4Å; N765-R769 VanDerWaalsContact O-CA 3.3Å; N765-R769 WeakPolarHBondContact O-CA 3.31Å; N765-R769 PolarHBondContact O-N 2.63Å; P766-R769 WeakPolarHBondContact O-CG 3.38Å; P766-R769 PolarHBondContact O-N 3.22Å
770	T	83.6	Confident	86.2	Confident	68 Å²	68	75 Å²	75	42%	0.417	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	167.7	-178.2	60.9	0	0	0	0	111.7	N765 T768	N765-T770 WeakPolarHBondContact CB-O 3.4Å; N765-T770 PolarHBondContact N-O 3.48Å; N765-T770 VanDerWaalsContact N-O 3.14Å; N765-T770 PolarHBondContact ND2-OG1 3.21Å; N765-T770 PolarHBondContact O-N 2.91Å; T768-T770 VanDerWaalsContact C-N 3.26Å; T768-T770 WeakPolarHBondContact O-CG2 3.45Å; T768-T770 PolarHBondContact O-N 3.39Å; T768-T770 PolarHBondContact OG1-OG1 3.2Å
771	G	84.6	Confident	86	Confident	54 Å²	54	78 Å²	78	56%	0.557	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	91.7	-160.9	176.5	0	0	0	0	0	111.4
772	K	86	Confident	86.1	Confident	129 Å²	129	78.7 Å²	78.7	56%	0.561	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66	144.6	-177	-169.1	178.6	171.9	-174.4	0	110.9	A764 E774	A764-K772 HydrophobicContact CB-CB 4.41Å; A764-K772 WeakPolarHBondContact CB-O 3.08Å; A764-K772 PolarHBondContact N-O 2.91Å; K772-E774 PolarHBondContact O-N 3.34Å
773	L	89	Confident	86.2	Confident	14 Å²	14	76.9 Å²	76.9	7%	0.073	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	115.6	171.8	-55.2	179.6	0	0	0	108.9	V761 F763 F986 L989 F990	V761-L773 HydrophobicContact CG1-CD2 3.73Å; F763-L773 HydrophobicContact CD1-CD2 3.64Å; F763-L773 HydrophobicContact CE1-CD2 3.46Å; F763-L773 VanDerWaalsContact CE1-CD2 3.46Å; F763-L773 HydrophobicContact CZ-CD2 4.18Å; L773-F986 HydrophobicContact CD1-CD1 4.08Å; L773-F986 HydrophobicContact CD2-CD1 3.9Å; L773-F986 HydrophobicContact CD2-CE1 4.23Å; L773-L989 HydrophobicContact CD1-CB 3.93Å; L773-F990 HydrophobicContact CB-CB 4.46Å; L773-F990 HydrophobicContact CB-CD2 3.99Å; L773-F990 HydrophobicContact CD1-CB 4.02Å
774	E	89.3	Confident	86.5	Confident	99 Å²	99	76.4 Å²	76.4	46%	0.463	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-48.8	-175.8	-69.1	-63.6	160.1	0	0	111.4	Q762 A764 K772	Q762-E774 HydrophobicContact CG-CB 4.27Å; Q762-E774 PolarHBondContact O-N 3.36Å; A764-E774 HydrophobicContact CB-CG 4.2Å; K772-E774 PolarHBondContact O-N 3.34Å
775	D	90	Very high	86.7	Confident	43 Å²	43	77 Å²	77	23%	0.23	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	168.9	177.8	-148.9	-4.1	0	0	0	112.7	Q762 I777	Q762-D775 WeakPolarHBondContact CB-O 3.39Å; Q762-D775 PolarHBondContact N-O 3.03Å; D775-I777 HydrophobicContact CB-CG1 4.2Å
776	L	91.1	Very high	87.1	Confident	3 Å²	3	75.5 Å²	75.5	2%	0.016	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	108.6	172.3	-64.8	173.1	0	0	0	108.1	V759 V761 Q987 F990 F991 Y1023	V759-L776 HydrophobicContact CG1-CB 3.96Å; V759-L776 HydrophobicContact CG1-CD2 4.5Å; V761-L776 HydrophobicContact CB-CD2 4.32Å; V761-L776 HydrophobicContact CG1-CD2 4.22Å; V761-L776 HydrophobicContact CG2-CD2 3.85Å; L776-Q987 HydrophobicContact CD1-CB 4.31Å; L776-Q987 HydrophobicContact CD1-CG 4.01Å; L776-F990 HydrophobicContact CD1-CB 3.99Å; L776-F990 HydrophobicContact CD1-CD1 3.42Å; L776-F990 VanDerWaalsContact CD1-CD1 3.42Å; L776-F990 HydrophobicContact CD1-CE1 3.96Å; L776-F990 HydrophobicContact CD1-CG 3.8Å; L776-F990 HydrophobicContact CG-CB 4.24Å; L776-F990 HydrophobicContact CG-CD1 3.85Å; L776-F990 HydrophobicContact CG-CD2 4.33Å; L776-F990 HydrophobicContact CG-CE1 4.17Å; L776-F990 HydrophobicContact CG-CG 3.89Å; L776-F991 HydrophobicContact CD1-CE2 4.21Å; L776-Y1023 HydrophobicContact CB-CD1 3.9Å; L776-Y1023 HydrophobicContact CD1-CD1 4.24Å
777	I	88.9	Confident	87.8	Confident	77 Å²	77	71.4 Å²	71.4	40%	0.395	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	123.1	-169.7	-58.4	177	0	0	0	109.7	S760 D775	S760-I777 PolarHBondContact N-O 3.39Å; S760-I777 PolarHBondContact O-N 3.04Å; D775-I777 HydrophobicContact CB-CG1 4.2Å
778	P	87	Confident	88.8	Confident	50 Å²	50	62.2 Å²	62.2	33%	0.325	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	136.6	172.3	29.2	-31.4	0	0	0	109.5	V757 E758 R1022	V757-P778 HydrophobicContact CG1-CB 4.16Å; E758-P778 CarbonylContact O-C 3.58Å; E758-P778 WeakPolarHBondContact O-CA 3.37Å; P778-R1022 WeakPolarHBondContact CD-O 3.48Å
779	K	83.9	Confident	89.5	Confident	110 Å²	110	60.4 Å²	60.4	48%	0.478	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-67.3	134.7	177.2	-66.4	-171.5	-173.4	170.4	0	110.6	E758	E758-K779 HydrophobicContact CB-CB 4.38Å; E758-K779 HydrophobicContact CB-CD 3.87Å; E758-K779 HydrophobicContact CB-CG 4.16Å; E758-K779 PolarHBondContact O-N 3.35Å; E758-K779 WeakPolarHBondContact OE2-CD 3.42Å; E758-K779 WeakPolarHBondContact OE2-CE 3.42Å; E758-K779 IonicContact OE2-NZ 2.84Å; E758-K779 PolarHBondContact OE2-NZ 2.97Å
780	E	81.9	Confident	90.3	Very high	148 Å²	148	55.7 Å²	55.7	69%	0.692	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-81.7	135.8	176.4	-64.4	-173.6	166.8	0	0	110.9	L782	E780-L782 HydrophobicContact CB-CD2 4.3Å; E780-L782 PolarHBondContact O-N 3.33Å
781	P	84.3	Confident	91	Very high	125 Å²	125	52.4 Å²	52.4	81%	0.812	29%	0.286	S	S	*	.			trans	-73	111	173.1	29.7	-32	0	0	0	109.5
782	L	91.4	Very high	91.6	Very high	29 Å²	29	50.7 Å²	50.7	15%	0.152	26%	0.263	C	S	.	.			trans	-105.8	152.8	176	-50	177.8	0	0	0	110.8	E672 Q675 E780 M784 H785 N786	E672-L782 HydrophobicContact CG-CD1 4.23Å; Q675-L782 HydrophobicContact CB-CD1 4.28Å; Q675-L782 HydrophobicContact CG-CB 4.42Å; Q675-L782 HydrophobicContact CG-CD2 4.38Å; E780-L782 HydrophobicContact CB-CD2 4.3Å; E780-L782 PolarHBondContact O-N 3.33Å; L782-M784 PolarHBondContact O-N 2.93Å; L782-H785 WeakPolarHBondContact CB-ND1 3.02Å; L782-H785 WeakPolarHBondContact O-CB 3.24Å; L782-H785 PolarHBondContact O-N 3.12Å; L782-H785 VanDerWaalsContact O-N 3.12Å; L782-N786 PolarHBondContact O-N 3.29Å
783	E	93	Very high	92.2	Very high	47 Å²	47	45.6 Å²	45.6	22%	0.22	24%	0.242	C	C	.	.	H	α-helix	trans	-64.4	-32.1	177.5	-173.6	50.5	-145.3	0	0	111.9	V736 R743 H785 N786 T787	V736-E783 HydrophobicContact CG1-CG 4.18Å; R743-E783 IonicContact NH1-OE2 2.64Å; E783-H785 VanDerWaalsContact C-N 3.29Å; E783-H785 PolarHBondContact O-N 2.8Å; E783-N786 WeakPolarHBondContact O-CB 3.22Å; E783-N786 PolarHBondContact O-N 3.44Å; E783-N786 VanDerWaalsContact O-N 3.15Å; E783-N786 PolarHBondContact OE2-ND2 2.78Å; E783-T787 WeakPolarHBondContact O-CB 3.17Å; E783-T787 PolarHBondContact O-N 3.4Å; E783-T787 PolarHBondContact O-OG1 3.45Å
784	M	95.3	Very high	92.6	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-60.8	-36	174.2	-62.8	-58	100.1	0	0	113.2	Y671 A674 Q675 Y678 I732 V736 L782 N786 T787 V788	Y671-M784 HydrophobicContact CD1-CB 3.96Å; A674-M784 HydrophobicContact CB-CB 4.46Å; A674-M784 HydrophobicContact CB-CG 3.73Å; A674-M784 HydrophobicContact CB-SD 3.78Å; Q675-M784 HydrophobicContact CB-CG 3.85Å; Q675-M784 VanDerWaalsContact N-CG 3.29Å; Y678-M784 HydrophobicContact CD1-CE 4.09Å; Y678-M784 HydrophobicContact CD2-CE 4.25Å; Y678-M784 HydrophobicContact CG-CE 3.76Å; I732-M784 HydrophobicContact CG2-CE 4.33Å; I732-M784 HydrophobicContact CG2-SD 4.02Å; V736-M784 HydrophobicContact CG2-CE 3.45Å; V736-M784 VanDerWaalsContact CG2-CE 3.45Å; L782-M784 PolarHBondContact O-N 2.93Å; M784-N786 VanDerWaalsContact C-N 3.35Å; M784-T787 PolarHBondContact O-N 3.36Å; M784-V788 WeakPolarHBondContact O-CG2 3.49Å; M784-V788 PolarHBondContact O-N 2.54Å
785	H	93.7	Very high	93.1	Very high	55 Å²	55	41.4 Å²	41.4	26%	0.255	22%	0.221	S	C	.	.	H	α-helix	trans	-63.3	-43.9	175.4	-68.2	104	0	0	0	110.7	Y671 L782 E783 A789	Y671-H785 AromaticContact CD1-CD2 3.72Å; Y671-H785 AromaticContact CD1-CG 3.99Å; Y671-H785 AromaticContact CD2-CD2 3.62Å; Y671-H785 AromaticContact CD2-NE2 3.32Å; Y671-H785 VanDerWaalsContact CD2-NE2 3.32Å; Y671-H785 WeakPolarHBondContact CD2-NE2 3.44Å; Y671-H785 AromaticContact CE1-CD2 3.83Å; Y671-H785 AromaticContact CE2-CD2 3.69Å; Y671-H785 AromaticContact CE2-NE2 3.82Å; Y671-H785 AromaticContact CG-CD2 3.63Å; Y671-H785 AromaticContact CG-CE1 3.87Å; Y671-H785 AromaticContact CG-NE2 3.45Å; Y671-H785 AromaticContact CZ-CD2 3.83Å; L782-H785 WeakPolarHBondContact CB-ND1 3.02Å; L782-H785 WeakPolarHBondContact O-CB 3.24Å; L782-H785 PolarHBondContact O-N 3.12Å; L782-H785 VanDerWaalsContact O-N 3.12Å; E783-H785 VanDerWaalsContact C-N 3.29Å; E783-H785 PolarHBondContact O-N 2.8Å; H785-A789 WeakPolarHBondContact O-CB 3.45Å; H785-A789 PolarHBondContact O-N 3.15Å
786	N	94.1	Very high	93.5	Very high	56 Å²	56	39.4 Å²	39.4	30%	0.299	21%	0.211	S	C	.	.	H	α-helix	trans	-64.6	-44.3	177.5	-63	-36.4	0	0	0	111.5	R743 L782 E783 M784 A789 E790	R743-N786 PolarHBondContact NH1-ND2 3.21Å; R743-N786 VanDerWaalsContact NH1-ND2 3.17Å; L782-N786 PolarHBondContact O-N 3.29Å; E783-N786 WeakPolarHBondContact O-CB 3.22Å; E783-N786 PolarHBondContact O-N 3.44Å; E783-N786 VanDerWaalsContact O-N 3.15Å; E783-N786 PolarHBondContact OE2-ND2 2.78Å; M784-N786 VanDerWaalsContact C-N 3.35Å; N786-A789 PolarHBondContact O-N 3.38Å; N786-E790 WeakPolarHBondContact O-CB 3.2Å; N786-E790 PolarHBondContact O-N 3.42Å
787	T	97.5	Very high	93.8	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.012	22%	0.217	C	C	.	.	H	α-helix	trans	-59.4	-52.8	-178.8	-65.2	0	0	0	0	111	L735 V736 A739 E783 M784 A789 E790 L791	L735-T787 HydrophobicContact CB-CG2 4.23Å; V736-T787 HydrophobicContact CG2-CG2 4.17Å; A739-T787 HydrophobicContact CB-CG2 3.81Å; E783-T787 WeakPolarHBondContact O-CB 3.17Å; E783-T787 PolarHBondContact O-N 3.4Å; E783-T787 PolarHBondContact O-OG1 3.45Å; M784-T787 PolarHBondContact O-N 3.36Å; T787-A789 PolarHBondContact O-N 2.99Å; T787-E790 PolarHBondContact O-N 2.81Å; T787-L791 HydrophobicContact CG2-CD1 4.19Å; T787-L791 VanDerWaalsContact O-CG 3.3Å; T787-L791 WeakPolarHBondContact O-CG 3.42Å; T787-L791 PolarHBondContact O-N 3.4Å; T787-L791 VanDerWaalsContact O-N 3.13Å
788	V	97.5	Very high	94.3	Very high	5 Å²	5	39.2 Å²	39.2	3%	0.03	21%	0.206	C	C	.	.	H	α-helix	trans	-61.7	-47.8	177.8	175.4	0	0	0	0	110.4	I549 L561 Y671 M784 E790 L791 M792	I549-V788 HydrophobicContact CB-CG2 3.91Å; I549-V788 HydrophobicContact CD1-CG2 4.18Å; I549-V788 HydrophobicContact CG2-CG2 4.16Å; L561-V788 HydrophobicContact CD1-CG2 4.35Å; Y671-V788 HydrophobicContact CE1-CB 4.12Å; Y671-V788 HydrophobicContact CE1-CG2 3.9Å; M784-V788 WeakPolarHBondContact O-CG2 3.49Å; M784-V788 PolarHBondContact O-N 2.54Å; V788-E790 VanDerWaalsContact C-N 3.32Å; V788-E790 PolarHBondContact O-N 3.31Å; V788-L791 PolarHBondContact O-N 2.97Å; V788-M792 HydrophobicContact CG1-CG 4.35Å; V788-M792 VanDerWaalsContact O-CG 3.29Å; V788-M792 WeakPolarHBondContact O-CG 3.35Å; V788-M792 PolarHBondContact O-N 2.69Å
789	A	95.8	Very high	94.9	Very high	48 Å²	48	36.9 Å²	36.9	40%	0.397	19%	0.191	S	C	.	.	H	α-helix	trans	-58.4	-42.3	-179.9	0	0	0	0	0	112.7	H785 N786 T787 M792 I793	H785-A789 WeakPolarHBondContact O-CB 3.45Å; H785-A789 PolarHBondContact O-N 3.15Å; N786-A789 PolarHBondContact O-N 3.38Å; T787-A789 PolarHBondContact O-N 2.99Å; A789-M792 PolarHBondContact O-N 3.16Å; A789-I793 WeakPolarHBondContact O-CD1 3.49Å; A789-I793 VanDerWaalsContact O-CG1 3.26Å; A789-I793 WeakPolarHBondContact O-CG1 3.5Å; A789-I793 PolarHBondContact O-N 3.23Å
790	E	97.6	Very high	95.6	Very high	6 Å²	6	31.6 Å²	31.6	3%	0.028	17%	0.168	C	C	.	.	H	α-helix	trans	-68.3	-41.9	-179.3	-165.4	66.3	-148.7	0	0	112	A739 V742 R743 R746 N786 T787 V788 M792 I793 F794	A739-E790 HydrophobicContact CB-CB 4.26Å; V742-E790 HydrophobicContact CB-CG 4.01Å; V742-E790 HydrophobicContact CG1-CG 3.84Å; R743-E790 HydrophobicContact CB-CG 3.94Å; R746-E790 WeakPolarHBondContact CD-OE1 3.49Å; R746-E790 IonicContact CZ-OE1 3.41Å; R746-E790 IonicContact CZ-OE2 3.88Å; R746-E790 VanDerWaalsContact CZ-OE2 3.28Å; R746-E790 IonicContact NE-OE1 3.56Å; R746-E790 PolarHBondContact NE-OE1 3.07Å; R746-E790 IonicContact NE-OE2 3.8Å; R746-E790 PolarHBondContact NE-OE2 3.04Å; R746-E790 IonicContact NH2-OE1 2.86Å; R746-E790 IonicContact NH2-OE2 3.71Å; R746-E790 PolarHBondContact NH2-OE2 2.82Å; N786-E790 WeakPolarHBondContact O-CB 3.2Å; N786-E790 PolarHBondContact O-N 3.42Å; T787-E790 PolarHBondContact O-N 2.81Å; V788-E790 VanDerWaalsContact C-N 3.32Å; V788-E790 PolarHBondContact O-N 3.31Å; E790-M792 VanDerWaalsContact C-N 3.29Å; E790-M792 PolarHBondContact O-N 3.39Å; E790-I793 PolarHBondContact O-N 2.92Å; E790-F794 WeakPolarHBondContact O-CB 3.27Å; E790-F794 PolarHBondContact O-N 3.42Å
791	L	98.6	Very high	96.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-64.4	-36.6	176.1	-64.7	174.8	0	0	0	111.4	L561 L582 L735 I738 A739 T787 V788 F794 A795	L561-L791 HydrophobicContact CD1-CD1 3.85Å; L561-L791 HydrophobicContact CD2-CB 4.33Å; L561-L791 HydrophobicContact CD2-CD1 4.03Å; L582-L791 HydrophobicContact CD1-CD2 4.13Å; L582-L791 HydrophobicContact CD2-CD2 3.9Å; L735-L791 HydrophobicContact CB-CD1 4.37Å; L735-L791 HydrophobicContact CD2-CD1 3.87Å; I738-L791 HydrophobicContact CG2-CD2 4.43Å; A739-L791 HydrophobicContact CB-CD2 4.3Å; A739-L791 HydrophobicContact CB-CG 4.2Å; T787-L791 HydrophobicContact CG2-CD1 4.19Å; T787-L791 VanDerWaalsContact O-CG 3.3Å; T787-L791 WeakPolarHBondContact O-CG 3.42Å; T787-L791 PolarHBondContact O-N 3.4Å; T787-L791 VanDerWaalsContact O-N 3.13Å; V788-L791 PolarHBondContact O-N 2.97Å; L791-F794 WeakPolarHBondContact O-CB 3.36Å; L791-F794 PolarHBondContact O-N 3.49Å; L791-A795 PolarHBondContact O-N 3.09Å
792	M	98.2	Very high	96.9	Very high	17 Å²	17	27 Å²	27	8%	0.084	13%	0.128	C	C	.	.	H	α-helix	trans	-66.7	-42.3	172.3	-65.6	-51.1	119.1	0	0	112.1	D559 L561 V584 I586 V788 A789 E790 F794 A795 N796 T905	D559-M792 HydrophobicContact CB-CE 4.01Å; D559-M792 HydrophobicContact CB-SD 3.93Å; D559-M792 WeakPolarHBondContact OD2-CE 3.01Å; L561-M792 HydrophobicContact CD2-CE 3.6Å; V584-M792 HydrophobicContact CG1-CE 3.84Å; V584-M792 HydrophobicContact CG1-SD 4.18Å; V584-M792 HydrophobicContact CG2-CE 4.37Å; I586-M792 HydrophobicContact CD1-SD 4.23Å; V788-M792 HydrophobicContact CG1-CG 4.35Å; V788-M792 VanDerWaalsContact O-CG 3.29Å; V788-M792 WeakPolarHBondContact O-CG 3.35Å; V788-M792 PolarHBondContact O-N 2.69Å; A789-M792 PolarHBondContact O-N 3.16Å; E790-M792 VanDerWaalsContact C-N 3.29Å; E790-M792 PolarHBondContact O-N 3.39Å; M792-F794 VanDerWaalsContact C-N 3.27Å; M792-F794 PolarHBondContact O-N 2.85Å; M792-A795 PolarHBondContact O-N 2.74Å; M792-N796 VanDerWaalsContact O-CB 3.26Å; M792-N796 WeakPolarHBondContact O-CB 3.48Å; M792-N796 PolarHBondContact O-N 3.46Å; M792-N796 PolarHBondContact O-ND2 2.79Å; M792-T905 HydrophobicContact CB-CG2 4.14Å; M792-T905 HydrophobicContact CG-CG2 4.36Å; M792-T905 WeakPolarHBondContact SD-CB 3.19Å; M792-T905 HydrophobicContact SD-CG2 3.48Å; M792-T905 WeakPolarHBondContact SD-CG2 3.36Å
793	I	98.2	Very high	97.1	Very high	22 Å²	22	25.7 Å²	25.7	11%	0.113	12%	0.121	C	C	.	.	H	α-helix	trans	-59.4	-43	174.5	-71.9	160.8	0	0	0	110.3	A789 E790 N796 H797 L896 L898 Y901	A789-I793 WeakPolarHBondContact O-CD1 3.49Å; A789-I793 VanDerWaalsContact O-CG1 3.26Å; A789-I793 WeakPolarHBondContact O-CG1 3.5Å; A789-I793 PolarHBondContact O-N 3.23Å; E790-I793 PolarHBondContact O-N 2.92Å; I793-N796 PolarHBondContact O-N 2.85Å; I793-H797 WeakPolarHBondContact O-CB 3.49Å; I793-H797 PolarHBondContact O-N 2.89Å; I793-L896 HydrophobicContact CD1-CD2 3.78Å; I793-L896 HydrophobicContact CG1-CD1 4.49Å; I793-L896 HydrophobicContact CG1-CD2 4.3Å; I793-L896 HydrophobicContact CG2-CD1 4.45Å; I793-L898 HydrophobicContact CG2-CD1 3.67Å; I793-Y901 HydrophobicContact CB-CE2 4.5Å; I793-Y901 HydrophobicContact CG1-CE2 4.45Å; I793-Y901 HydrophobicContact CG2-CE2 4.24Å
794	F	98.2	Very high	97.2	Very high	25 Å²	25	24.3 Å²	24.3	11%	0.11	12%	0.116	C	C	.	.	H	α-helix	trans	-62.6	-47.1	178.6	-167.6	-111.3	0	0	0	112	L582 W644 I653 V742 E790 L791 M792 H797 W798	L582-F794 HydrophobicContact CD2-CD1 4.31Å; L582-F794 HydrophobicContact CD2-CE1 4.31Å; W644-F794 AromaticContact CD1-CE1 3.93Å; W644-F794 HydrophobicContact CD2-CD1 4.13Å; W644-F794 AromaticContact CD2-CE1 3.72Å; W644-F794 HydrophobicContact CD2-CE1 3.72Å; W644-F794 AromaticContact CE2-CD1 3.82Å; W644-F794 AromaticContact CE2-CE1 3.6Å; W644-F794 HydrophobicContact CE3-CD1 4.39Å; W644-F794 HydrophobicContact CE3-CE1 4.29Å; W644-F794 AromaticContact CG-CE1 3.92Å; W644-F794 HydrophobicContact CG-CE1 3.92Å; W644-F794 HydrophobicContact CH2-CD1 4.1Å; W644-F794 AromaticContact CZ2-CD1 3.79Å; W644-F794 HydrophobicContact CZ2-CD1 3.79Å; W644-F794 HydrophobicContact CZ2-CE1 4.07Å; W644-F794 HydrophobicContact CZ3-CD1 4.39Å; W644-F794 AromaticContact NE1-CE1 3.73Å; I653-F794 HydrophobicContact CD1-CE1 4.1Å; I653-F794 HydrophobicContact CD1-CE2 4.19Å; I653-F794 HydrophobicContact CD1-CZ 3.37Å; I653-F794 HydrophobicContact CG1-CZ 4.33Å; V742-F794 HydrophobicContact CG1-CB 4.33Å; V742-F794 HydrophobicContact CG1-CD2 3.63Å; V742-F794 HydrophobicContact CG1-CE2 4.21Å; V742-F794 HydrophobicContact CG1-CG 4.27Å; V742-F794 HydrophobicContact CG2-CD2 4.12Å; V742-F794 HydrophobicContact CG2-CE2 4.11Å; E790-F794 WeakPolarHBondContact O-CB 3.27Å; E790-F794 PolarHBondContact O-N 3.42Å; L791-F794 WeakPolarHBondContact O-CB 3.36Å; L791-F794 PolarHBondContact O-N 3.49Å; M792-F794 VanDerWaalsContact C-N 3.27Å; M792-F794 PolarHBondContact O-N 2.85Å; F794-H797 WeakPolarHBondContact O-CB 3.42Å; F794-H797 PolarHBondContact O-N 3.47Å; F794-W798 AromaticContact CD1-CD1 3.94Å; F794-W798 AromaticContact CD2-NE1 3.85Å; F794-W798 AromaticContact CE1-CD1 3.82Å; F794-W798 AromaticContact CE1-NE1 3.74Å; F794-W798 AromaticContact CE2-CD1 3.92Å; F794-W798 AromaticContact CE2-NE1 3.31Å; F794-W798 VanDerWaalsContact CE2-NE1 3.31Å; F794-W798 AromaticContact CZ-CD1 3.85Å; F794-W798 AromaticContact CZ-NE1 3.28Å; F794-W798 VanDerWaalsContact CZ-NE1 3.28Å; F794-W798 VanDerWaalsContact O-CD1 3.25Å; F794-W798 PolarHBondContact O-N 2.84Å; F794-W798 VanDerWaalsContact O-N 3.13Å
795	A	98.7	Very high	97.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-58	-51.3	174.8	0	0	0	0	0	112.1	V584 W644 L791 M792 H797 W798 V799 T905	V584-A795 HydrophobicContact CB-CB 4.2Å; V584-A795 HydrophobicContact CG1-CB 3.9Å; V584-A795 HydrophobicContact CG2-CB 4.3Å; W644-A795 HydrophobicContact CH2-CB 3.75Å; W644-A795 HydrophobicContact CZ2-CB 4.42Å; L791-A795 PolarHBondContact O-N 3.09Å; M792-A795 PolarHBondContact O-N 2.74Å; A795-H797 VanDerWaalsContact C-N 3.28Å; A795-H797 PolarHBondContact O-N 2.84Å; A795-W798 PolarHBondContact O-N 2.81Å; A795-V799 WeakPolarHBondContact O-CG2 3.43Å; A795-V799 PolarHBondContact O-N 2.9Å; A795-T905 HydrophobicContact CB-CG2 3.96Å
796	N	98.7	Very high	97.1	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.011	16%	0.156	C	C	.	.	H	α-helix	trans	-56.8	-40.5	177.4	-78.3	-35.5	0	0	0	112.5	M792 I793 A800 Y901 T902 F904 T905	M792-N796 VanDerWaalsContact O-CB 3.26Å; M792-N796 WeakPolarHBondContact O-CB 3.48Å; M792-N796 PolarHBondContact O-N 3.46Å; M792-N796 PolarHBondContact O-ND2 2.79Å; I793-N796 PolarHBondContact O-N 2.85Å; N796-A800 VanDerWaalsContact O-CB 3.28Å; N796-A800 WeakPolarHBondContact O-CB 3.33Å; N796-A800 PolarHBondContact O-N 2.88Å; N796-Y901 HydrophobicContact CB-CD2 3.97Å; N796-Y901 HydrophobicContact CB-CE2 3.46Å; N796-Y901 VanDerWaalsContact CB-CE2 3.46Å; N796-T902 WeakPolarHBondContact CB-O 3.49Å; N796-T902 PolarHBondContact OD1-O 3.05Å; N796-F904 WeakPolarHBondContact OD1-CB 3.38Å; N796-F904 PolarHBondContact OD1-N 3.37Å; N796-T905 PolarHBondContact ND2-OG1 3.31Å
797	H	98.3	Very high	97	Very high	30 Å²	30	31.5 Å²	31.5	14%	0.139	14%	0.144	C	C	.	.	H	α-helix	trans	-63	-49.1	177.4	179.9	58	0	0	0	112.3	I793 F794 A795 A800 R801 L898 L900	I793-H797 WeakPolarHBondContact O-CB 3.49Å; I793-H797 PolarHBondContact O-N 2.89Å; F794-H797 WeakPolarHBondContact O-CB 3.42Å; F794-H797 PolarHBondContact O-N 3.47Å; A795-H797 VanDerWaalsContact C-N 3.28Å; A795-H797 PolarHBondContact O-N 2.84Å; H797-A800 WeakPolarHBondContact O-CB 3.39Å; H797-A800 PolarHBondContact O-N 3.28Å; H797-R801 WeakPolarHBondContact O-CG 3.37Å; H797-R801 PolarHBondContact O-N 2.75Å; H797-R801 VanDerWaalsContact O-N 3.1Å; H797-L898 HydrophobicContact CB-CD1 4.06Å; H797-L900 PolarHBondContact ND1-O 3.09Å
798	W	98.5	Very high	96.6	Very high	46 Å²	46	35.2 Å²	35.2	17%	0.174	17%	0.168	C	C	.	.	H	α-helix	trans	-70.2	-39.2	-177.3	-78.7	107.3	0	0	0	112.9	W644 I653 I656 Y658 F794 A795 A800 R801 R802	W644-W798 AromaticContact CE2-CD1 3.74Å; W644-W798 HydrophobicContact CZ2-CB 3.95Å; W644-W798 AromaticContact CZ2-CD1 3.84Å; W644-W798 HydrophobicContact CZ2-CG 4.14Å; W644-W798 AromaticContact NE1-CD1 3.2Å; W644-W798 AromaticContact NE1-CD2 3.89Å; W644-W798 AromaticContact NE1-CG 3.36Å; W644-W798 AromaticContact NE1-NE1 3.65Å; I653-W798 HydrophobicContact CD1-CD2 4.38Å; I653-W798 HydrophobicContact CD1-CH2 4.04Å; I653-W798 HydrophobicContact CD1-CZ2 3.16Å; I653-W798 VanDerWaalsContact CD1-NE1 3.34Å; I653-W798 HydrophobicContact CG1-CZ2 4.3Å; I656-W798 HydrophobicContact CD1-CD2 3.6Å; I656-W798 HydrophobicContact CD1-CE3 3.14Å; I656-W798 HydrophobicContact CD1-CG 4.35Å; I656-W798 HydrophobicContact CD1-CH2 3.87Å; I656-W798 HydrophobicContact CD1-CZ2 4.31Å; I656-W798 HydrophobicContact CD1-CZ3 3.27Å; Y658-W798 PolarHBondContact OH-O 3.45Å; F794-W798 AromaticContact CD1-CD1 3.94Å; F794-W798 AromaticContact CD2-NE1 3.85Å; F794-W798 AromaticContact CE1-CD1 3.82Å; F794-W798 AromaticContact CE1-NE1 3.74Å; F794-W798 AromaticContact CE2-CD1 3.92Å; F794-W798 AromaticContact CE2-NE1 3.31Å; F794-W798 VanDerWaalsContact CE2-NE1 3.31Å; F794-W798 AromaticContact CZ-CD1 3.85Å; F794-W798 AromaticContact CZ-NE1 3.28Å; F794-W798 VanDerWaalsContact CZ-NE1 3.28Å; F794-W798 VanDerWaalsContact O-CD1 3.25Å; F794-W798 PolarHBondContact O-N 2.84Å; F794-W798 VanDerWaalsContact O-N 3.13Å; A795-W798 PolarHBondContact O-N 2.81Å; W798-A800 VanDerWaalsContact C-N 3.32Å; W798-A800 PolarHBondContact O-N 3.23Å; W798-R801 WeakPolarHBondContact O-CB 3.33Å; W798-R801 PolarHBondContact O-N 2.89Å; W798-R802 PolarHBondContact O-N 2.94Å
799	V	98.7	Very high	96.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-62.9	-40.4	173.3	173.2	0	0	0	0	111.2	V642 Y658 A795 R801 R802 C803 T902 F904 V916 L920	V642-V799 HydrophobicContact CG2-CG2 3.72Å; Y658-V799 HydrophobicContact CD1-CG2 4.36Å; Y658-V799 HydrophobicContact CE1-CG2 4.14Å; A795-V799 WeakPolarHBondContact O-CG2 3.43Å; A795-V799 PolarHBondContact O-N 2.9Å; V799-R801 VanDerWaalsContact C-N 3.33Å; V799-R801 PolarHBondContact O-N 2.81Å; V799-R802 PolarHBondContact O-N 2.79Å; V799-C803 PolarHBondContact O-N 2.92Å; V799-C803 PolarHBondContact O-SG 3.39Å; V799-T902 HydrophobicContact CB-CG2 4.49Å; V799-T902 HydrophobicContact CG1-CG2 4.24Å; V799-F904 HydrophobicContact CB-CB 4.29Å; V799-F904 HydrophobicContact CB-CG 4.26Å; V799-F904 HydrophobicContact CG1-CB 4.07Å; V799-F904 HydrophobicContact CG1-CD2 4.03Å; V799-F904 HydrophobicContact CG1-CG 4.08Å; V799-F904 HydrophobicContact CG2-CB 4.41Å; V799-F904 HydrophobicContact CG2-CD1 3.85Å; V799-F904 HydrophobicContact CG2-CD2 4.15Å; V799-F904 HydrophobicContact CG2-CE1 4.12Å; V799-F904 HydrophobicContact CG2-CE2 4.43Å; V799-F904 HydrophobicContact CG2-CG 3.88Å; V799-F904 HydrophobicContact CG2-CZ 4.42Å; V799-V916 HydrophobicContact CG1-CG1 3.49Å; V799-V916 VanDerWaalsContact CG1-CG1 3.49Å; V799-L920 HydrophobicContact CG1-CB 4.38Å; V799-L920 HydrophobicContact CG1-CD1 4.38Å; V799-L920 HydrophobicContact CG1-CD2 4.05Å; V799-L920 HydrophobicContact CG2-CD2 4.05Å
800	A	98.4	Very high	95.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-59	-44.2	174	0	0	0	0	0	111.9	N796 H797 W798 C803 V804 L813 L900 T902	N796-A800 VanDerWaalsContact O-CB 3.28Å; N796-A800 WeakPolarHBondContact O-CB 3.33Å; N796-A800 PolarHBondContact O-N 2.88Å; H797-A800 WeakPolarHBondContact O-CB 3.39Å; H797-A800 PolarHBondContact O-N 3.28Å; W798-A800 VanDerWaalsContact C-N 3.32Å; W798-A800 PolarHBondContact O-N 3.23Å; A800-C803 PolarHBondContact O-N 3.35Å; A800-V804 WeakPolarHBondContact O-CG2 3.36Å; A800-V804 PolarHBondContact O-N 3.03Å; A800-L813 HydrophobicContact CB-CD2 3.76Å; A800-L900 HydrophobicContact CB-CB 4.07Å; A800-T902 HydrophobicContact CB-CG2 3.87Å
801	R	97.6	Very high	95.6	Very high	117 Å²	117	38.1 Å²	38.1	44%	0.442	17%	0.173	S	C	.	.	H	α-helix	trans	-60	-47	176.1	-67.8	-179.8	81.1	164	3.1	111.4	H797 W798 V799 C803 V804 E805 L900	H797-R801 WeakPolarHBondContact O-CG 3.37Å; H797-R801 PolarHBondContact O-N 2.75Å; H797-R801 VanDerWaalsContact O-N 3.1Å; W798-R801 WeakPolarHBondContact O-CB 3.33Å; W798-R801 PolarHBondContact O-N 2.89Å; V799-R801 VanDerWaalsContact C-N 3.33Å; V799-R801 PolarHBondContact O-N 2.81Å; R801-C803 PolarHBondContact O-N 2.84Å; R801-V804 PolarHBondContact O-N 3.36Å; R801-E805 WeakPolarHBondContact O-CB 3.44Å; R801-E805 PolarHBondContact O-N 3.11Å; R801-L900 HydrophobicContact CG-CB 4.47Å; R801-L900 HydrophobicContact CG-CD1 4.05Å
802	R	96.9	Very high	95.5	Very high	58 Å²	58	38.2 Å²	38.2	22%	0.219	17%	0.174	C	C	.	.	H	α-helix	trans	-61.6	-43.3	179.2	-179.9	56.2	-174.1	174.2	-1.2	112.1	Y658 W798 V799 E805 Y806 L920 S923	Y658-R802 HydrophobicContact CD2-CG 4.42Å; Y658-R802 HydrophobicContact CE1-CB 4.39Å; Y658-R802 HydrophobicContact CE2-CB 4.33Å; Y658-R802 HydrophobicContact CE2-CG 4.29Å; W798-R802 PolarHBondContact O-N 2.94Å; V799-R802 PolarHBondContact O-N 2.79Å; R802-E805 IonicContact NH1-OE2 3.55Å; R802-E805 PolarHBondContact NH1-OE2 2.55Å; R802-Y806 PolarHBondContact O-N 3.17Å; R802-L920 HydrophobicContact CB-CD1 4.16Å; R802-L920 HydrophobicContact CG-CD1 3.65Å; R802-S923 PolarHBondContact NE-OG 3.44Å; R802-S923 PolarHBondContact NH2-O 2.79Å
803	C	95	Very high	95.5	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.014	17%	0.17	C	C	.	.	H	α-helix	trans	-63.6	-44.8	178.1	-67.1	0	0	0	0	111.7	V799 A800 R801 Y806 Y807 A811	V799-C803 PolarHBondContact O-N 2.92Å; V799-C803 PolarHBondContact O-SG 3.39Å; A800-C803 PolarHBondContact O-N 3.35Å; R801-C803 PolarHBondContact O-N 2.84Å; C803-Y806 PolarHBondContact O-N 2.72Å; C803-Y807 WeakPolarHBondContact O-CA 3.26Å; C803-Y807 VanDerWaalsContact O-CB 3.32Å; C803-Y807 WeakPolarHBondContact O-CB 3.19Å; C803-Y807 PolarHBondContact O-N 3.18Å; C803-A811 HydrophobicContact CB-CB 4.15Å
804	V	94.7	Very high	95.5	Very high	19 Å²	19	38.1 Å²	38.1	12%	0.115	17%	0.171	C	C	.	.	H	α-helix	trans	-70	-35.9	-179.7	174	0	0	0	0	112.5	A800 R801 Y806 P808 A811 L813 T881 L900	A800-V804 WeakPolarHBondContact O-CG2 3.36Å; A800-V804 PolarHBondContact O-N 3.03Å; R801-V804 PolarHBondContact O-N 3.36Å; V804-Y806 VanDerWaalsContact C-N 3.27Å; V804-Y806 PolarHBondContact O-N 3.48Å; V804-P808 WeakPolarHBondContact O-CA 3.42Å; V804-A811 HydrophobicContact CG2-CB 4.04Å; V804-L813 HydrophobicContact CG2-CD1 3.71Å; V804-L813 HydrophobicContact CG2-CD2 4.11Å; V804-L813 HydrophobicContact CG2-CG 4.3Å; V804-T881 HydrophobicContact CG2-CG2 4.27Å; V804-L900 HydrophobicContact CB-CD1 4.17Å; V804-L900 HydrophobicContact CG1-CD1 4.31Å; V804-L900 HydrophobicContact CG2-CD1 4.22Å; V804-L900 HydrophobicContact CG2-CD2 4.13Å
805	E	94.7	Very high	95.4	Very high	143 Å²	143	39.1 Å²	39.1	67%	0.668	17%	0.174	S	C	*	.	H	α-helix	trans	-57.4	-42.7	176.1	-178.4	-173	-162.8	0	0	111.4	R801 R802	R801-E805 WeakPolarHBondContact O-CB 3.44Å; R801-E805 PolarHBondContact O-N 3.11Å; R802-E805 IonicContact NH1-OE2 3.55Å; R802-E805 PolarHBondContact NH1-OE2 2.55Å
806	Y	93	Very high	95.2	Very high	109 Å²	109	39.8 Å²	39.8	43%	0.427	18%	0.177	S	C	.	.	H	α-helix	trans	-91.6	-33.6	-176.9	-159.8	-84.4	0	0	0	113.2	R802 C803 V804 P808	R802-Y806 PolarHBondContact O-N 3.17Å; C803-Y806 PolarHBondContact O-N 2.72Å; V804-Y806 VanDerWaalsContact C-N 3.27Å; V804-Y806 PolarHBondContact O-N 3.48Å; Y806-P808 WeakPolarHBondContact O-CD 3.4Å
807	Y	91.3	Very high	94.9	Very high	10 Å²	10	41.2 Å²	41.2	4%	0.039	19%	0.187	C	C	.	.			trans	-127.8	67	-175.5	-63.7	-62.1	0	0	0	111.6	C803 D809 R810 A811 L919 A922 L955	C803-Y807 WeakPolarHBondContact O-CA 3.26Å; C803-Y807 VanDerWaalsContact O-CB 3.32Å; C803-Y807 WeakPolarHBondContact O-CB 3.19Å; C803-Y807 PolarHBondContact O-N 3.18Å; Y807-D809 PolarHBondContact O-N 3.26Å; Y807-R810 HydrophobicContact CD1-CG 3.78Å; Y807-R810 HydrophobicContact CG-CG 3.98Å; Y807-R810 PolarHBondContact O-N 3.24Å; Y807-A811 WeakPolarHBondContact O-CB 3.08Å; Y807-A811 PolarHBondContact O-N 2.95Å; Y807-L919 HydrophobicContact CD2-CD2 4.22Å; Y807-L919 HydrophobicContact CE2-CD2 4.48Å; Y807-L919 WeakPolarHBondContact CE2-O 3.34Å; Y807-A922 HydrophobicContact CE2-CB 4.32Å; Y807-A922 WeakPolarHBondContact OH-CB 3.41Å; Y807-L955 HydrophobicContact CE1-CD1 4.07Å; Y807-L955 HydrophobicContact CE2-CD1 4.17Å
808	P	90.4	Very high	94.6	Very high	80 Å²	80	43.8 Å²	43.8	52%	0.519	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-26.7	-174.1	25.3	-34.9	0	0	0	113.4	V804 Y806 T881	V804-P808 WeakPolarHBondContact O-CA 3.42Å; Y806-P808 WeakPolarHBondContact O-CD 3.4Å; P808-T881 WeakPolarHBondContact O-CB 3.42Å; P808-T881 PolarHBondContact O-OG1 2.64Å
809	D	88.6	Confident	94.1	Very high	71 Å²	71	42.4 Å²	42.4	38%	0.38	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	2.5	-177.5	68.8	-23.1	0	0	0	114.1	Y807 G882	Y807-D809 PolarHBondContact O-N 3.26Å; D809-G882 WeakPolarHBondContact O-CA 3.32Å; D809-G882 PolarHBondContact O-N 3.29Å; D809-G882 VanDerWaalsContact O-N 3.12Å
810	R	88.5	Confident	93.4	Very high	50 Å²	50	49.6 Å²	49.6	19%	0.189	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-150.3	28.5	-173.6	65.8	-169	78.9	-175.1	-6.1	114.2	Y807 T881 T952 D953 L961	Y807-R810 HydrophobicContact CD1-CG 3.78Å; Y807-R810 HydrophobicContact CG-CG 3.98Å; Y807-R810 PolarHBondContact O-N 3.24Å; R810-T881 PolarHBondContact N-OG1 3.28Å; R810-T952 PolarHBondContact NH1-O 2.78Å; R810-D953 IonicContact NH1-OD1 2.76Å; R810-L961 VanDerWaalsContact O-CD2 3.28Å; R810-L961 WeakPolarHBondContact O-CD2 3.48Å
811	A	93.2	Very high	92.6	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	25%	0.254	C	S	.	.			trans	-89.1	138.7	173.7	0	0	0	0	0	111.4	C803 V804 Y807 L813 S880 T881	C803-A811 HydrophobicContact CB-CB 4.15Å; V804-A811 HydrophobicContact CG2-CB 4.04Å; Y807-A811 WeakPolarHBondContact O-CB 3.08Å; Y807-A811 PolarHBondContact O-N 2.95Å; A811-L813 HydrophobicContact CB-CG 4.42Å; A811-S880 WeakPolarHBondContact O-CA 3.35Å; A811-T881 HydrophobicContact CB-CG2 3.89Å; A811-T881 PolarHBondContact N-OG1 2.77Å; A811-T881 PolarHBondContact O-N 2.87Å
812	C	95.9	Very high	91.6	Very high	1 Å²	1	53 Å²	53	1%	0.007	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	113	170.9	-176	0	0	0	0	109.2	T902 I915 V916 L919 L961	C812-T902 PolarHBondContact O-OG1 3.13Å; C812-I915 HydrophobicContact CB-CG2 3.92Å; C812-V916 HydrophobicContact CB-CG2 4.21Å; C812-L919 HydrophobicContact CB-CD1 4.25Å; C812-L961 HydrophobicContact CB-CD1 4.2Å; C812-L961 HydrophobicContact CB-CD2 4.34Å
813	L	97.6	Very high	90.9	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	166.9	-178.9	-63	-173.6	0	0	0	111.2	A800 V804 A811 Y878 F879 T881 F891 L900 Y901	A800-L813 HydrophobicContact CB-CD2 3.76Å; V804-L813 HydrophobicContact CG2-CD1 3.71Å; V804-L813 HydrophobicContact CG2-CD2 4.11Å; V804-L813 HydrophobicContact CG2-CG 4.3Å; A811-L813 HydrophobicContact CB-CG 4.42Å; L813-Y878 CarbonylContact O-C 3.59Å; L813-Y878 VanDerWaalsContact O-CA 3.3Å; L813-Y878 WeakPolarHBondContact O-CA 3.23Å; L813-F879 HydrophobicContact CB-CD1 4.12Å; L813-F879 HydrophobicContact CB-CE1 3.44Å; L813-F879 VanDerWaalsContact CB-CE1 3.44Å; L813-F879 HydrophobicContact CB-CE2 4.36Å; L813-F879 HydrophobicContact CB-CZ 3.59Å; L813-F879 HydrophobicContact CD1-CE1 4.45Å; L813-F879 HydrophobicContact CD1-CE2 4.44Å; L813-F879 HydrophobicContact CD1-CZ 3.81Å; L813-F879 HydrophobicContact CG-CZ 4.29Å; L813-F879 PolarHBondContact N-O 2.89Å; L813-F879 WeakPolarHBondContact O-CD1 3.31Å; L813-F879 PolarHBondContact O-N 3.17Å; L813-T881 HydrophobicContact CD1-CG2 3.44Å; L813-T881 VanDerWaalsContact CD1-CG2 3.44Å; L813-T881 HydrophobicContact CG-CG2 3.83Å; L813-F891 HydrophobicContact CD1-CD2 4.2Å; L813-L900 HydrophobicContact CD1-CD2 3.85Å; L813-Y901 WeakPolarHBondContact CB-O 3.27Å
814	R	97.7	Very high	90.4	Very high	37 Å²	37	56 Å²	56	14%	0.14	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	120.2	173.3	-167.6	177.7	-165.1	-157.6	4.5	110.2	A876 L877 Y878 Y901 H903 H972	R814-A876 HydrophobicContact CG-CB 4.36Å; R814-L877 CarbonylContact C-O 3.32Å; R814-L877 WeakPolarHBondContact CA-O 3.49Å; R814-Y878 HydrophobicContact CB-CD1 4.13Å; R814-Y878 HydrophobicContact CB-CE1 4.35Å; R814-Y878 HydrophobicContact CG-CD1 4.22Å; R814-Y878 HydrophobicContact CG-CE1 4.33Å; R814-Y901 HydrophobicContact CB-CD1 4.14Å; R814-Y901 PolarHBondContact N-O 2.68Å; R814-H903 VanDerWaalsContact CD-CE1 3.41Å; R814-H903 WeakPolarHBondContact CD-CE1 3.34Å; R814-H903 VanDerWaalsContact CD-NE2 3.25Å; R814-H903 WeakPolarHBondContact CD-NE2 3.35Å; R814-H903 VanDerWaalsContact CZ-CE1 3.47Å; R814-H903 PolarHBondContact NH1-CE1 3.47Å; R814-H903 PolarHBondContact NH1-NE2 3.28Å; R814-H972 PolarHBondContact NH2-NE2 3.33Å
815	R	96	Very high	89.9	Confident	46 Å²	46	58.9 Å²	58.9	17%	0.174	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	160	178	67	174.6	-162.2	161.5	-1.4	111.8	A876 L877 F879 M886 Q890	R815-A876 CarbonylContact O-C 3.57Å; R815-A876 WeakPolarHBondContact O-CA 3.25Å; R815-A876 WeakPolarHBondContact O-CB 3.29Å; R815-L877 PolarHBondContact N-O 3.24Å; R815-L877 PolarHBondContact O-N 2.9Å; R815-F879 HydrophobicContact CB-CD1 3.95Å; R815-F879 HydrophobicContact CB-CE1 3.6Å; R815-F879 HydrophobicContact CG-CD1 3.72Å; R815-F879 HydrophobicContact CG-CE1 3.91Å; R815-M886 PolarHBondContact NH1-SD 3.18Å; R815-Q890 VanDerWaalsContact CD-O 3.23Å; R815-Q890 WeakPolarHBondContact CD-O 3.2Å; R815-Q890 PolarHBondContact NH1-O 2.84Å
816	H	95.6	Very high	89.1	Confident	15 Å²	15	55.2 Å²	55.2	7%	0.069	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-131.2	103.8	168.1	176.9	-164.1	0	0	0	107.5	T874 A876 S892 H893 Y894 G895	H816-T874 PolarHBondContact CD2-O 3.4Å; H816-T874 PolarHBondContact CD2-OG1 3.5Å; H816-T874 PolarHBondContact NE2-O 3.43Å; H816-A876 HydrophobicContact CB-CB 4.11Å; H816-S892 PolarHBondContact N-O 3.01Å; H816-H893 HydrophobicContact CB-CB 4.47Å; H816-H893 VanDerWaalsContact CB-CE1 3.42Å; H816-H893 WeakPolarHBondContact CB-CE1 3.39Å; H816-H893 AromaticContact ND1-CE1 3.83Å; H816-Y894 WeakPolarHBondContact O-CB 3.41Å; H816-Y894 PolarHBondContact O-N 3.39Å; H816-G895 PolarHBondContact ND1-N 2.94Å; H816-G895 VanDerWaalsContact ND1-N 3.2Å
817	P	93.3	Very high	88.7	Confident	32 Å²	32	50.5 Å²	50.5	21%	0.208	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-60.9	153	178.1	-23.3	34.8	0	0	0	112.1	T874	P817-T874 PolarHBondContact O-OG1 3.24Å
818	P	90.8	Very high	88.5	Confident	84 Å²	84	53.2 Å²	53.2	55%	0.545	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-62.6	142.8	171.3	26.7	-33.4	0	0	0	110.6	Y894	P818-Y894 HydrophobicContact CB-CD2 3.7Å; P818-Y894 HydrophobicContact CB-CE2 3.91Å; P818-Y894 HydrophobicContact CB-CG 4.31Å
819	P	88.4	Confident	88.1	Confident	16 Å²	16	53.3 Å²	53.3	10%	0.104	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-65.6	151.9	175.2	30	-36.5	0	0	0	111.3	F824 M873 Y894	P819-F824 HydrophobicContact CB-CE2 3.76Å; P819-F824 HydrophobicContact CG-CE2 3.57Å; P819-F824 HydrophobicContact CG-CZ 4.3Å; P819-M873 HydrophobicContact CB-CE 4.2Å; P819-M873 HydrophobicContact CB-SD 4.45Å; P819-M873 HydrophobicContact CG-CE 3.97Å; P819-M873 HydrophobicContact CG-SD 4.11Å; P819-Y894 HydrophobicContact CG-CE1 3.97Å
820	R	83.7	Confident	87.8	Confident	152 Å²	152	50.2 Å²	50.2	57%	0.574	24%	0.235	S	C	*	.	P	Polyproline II helix	trans	-73.6	130.1	174.7	-62.5	-167.5	179.3	177.2	0.3	109.7	E822 Y823	R820-E822 VanDerWaalsContact CB-OE2 3.27Å; R820-E822 WeakPolarHBondContact CB-OE2 3.37Å; R820-E822 PolarHBondContact O-N 3.12Å; R820-E822 VanDerWaalsContact O-N 3.13Å; R820-Y823 HydrophobicContact CB-CD2 3.82Å; R820-Y823 HydrophobicContact CB-CE2 3.84Å; R820-Y823 HydrophobicContact CB-CG 4.25Å; R820-Y823 HydrophobicContact CG-CD2 4.38Å; R820-Y823 HydrophobicContact CG-CE2 3.95Å; R820-Y823 WeakPolarHBondContact O-CB 3.41Å; R820-Y823 PolarHBondContact O-N 3.06Å; R820-Y823 VanDerWaalsContact O-N 3.09Å
821	P	82	Confident	87.5	Confident	76 Å²	76	47.9 Å²	47.9	49%	0.494	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-54.4	-33.9	-176.6	-27.4	35.4	0	0	0	113.7	Y823 F824	P821-Y823 PolarHBondContact O-N 2.82Å; P821-F824 WeakPolarHBondContact O-CB 3.48Å; P821-F824 PolarHBondContact O-N 3.17Å
822	E	77.4	Confident	87	Confident	111 Å²	111	49.6 Å²	49.6	52%	0.519	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-65.6	-26.4	-176.6	-51.8	78.1	-169	0	0	112.2	R820 F824 D825	R820-E822 VanDerWaalsContact CB-OE2 3.27Å; R820-E822 WeakPolarHBondContact CB-OE2 3.37Å; R820-E822 PolarHBondContact O-N 3.12Å; R820-E822 VanDerWaalsContact O-N 3.13Å; E822-F824 PolarHBondContact O-N 3.02Å; E822-D825 PolarHBondContact O-N 3.3Å
823	Y	80.9	Confident	86	Confident	122 Å²	122	51.1 Å²	51.1	48%	0.478	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-69.4	-17.9	176.1	-62.5	-22.8	0	0	0	112.8	R820 P821 T872	R820-Y823 HydrophobicContact CB-CD2 3.82Å; R820-Y823 HydrophobicContact CB-CE2 3.84Å; R820-Y823 HydrophobicContact CB-CG 4.25Å; R820-Y823 HydrophobicContact CG-CD2 4.38Å; R820-Y823 HydrophobicContact CG-CE2 3.95Å; R820-Y823 WeakPolarHBondContact O-CB 3.41Å; R820-Y823 PolarHBondContact O-N 3.06Å; R820-Y823 VanDerWaalsContact O-N 3.09Å; P821-Y823 PolarHBondContact O-N 2.82Å; Y823-T872 VanDerWaalsContact O-CG2 3.25Å; Y823-T872 WeakPolarHBondContact O-CG2 3.32Å
824	F	85.2	Confident	85	Confident	1 Å²	1	54.8 Å²	54.8	0%	0.004	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-92.8	-13.1	177.2	-80.9	-89.5	0	0	0	114.5	P819 P821 E822 E826 L827 K828 T840 L846 V869 T872 M873	P819-F824 HydrophobicContact CB-CE2 3.76Å; P819-F824 HydrophobicContact CG-CE2 3.57Å; P819-F824 HydrophobicContact CG-CZ 4.3Å; P821-F824 WeakPolarHBondContact O-CB 3.48Å; P821-F824 PolarHBondContact O-N 3.17Å; E822-F824 PolarHBondContact O-N 3.02Å; F824-E826 VanDerWaalsContact C-N 3.34Å; F824-E826 PolarHBondContact O-N 2.92Å; F824-L827 HydrophobicContact CD1-CD2 4.06Å; F824-L827 HydrophobicContact CE1-CD2 4.3Å; F824-L827 CarbonylContact O-C 3.54Å; F824-L827 PolarHBondContact O-N 3.33Å; F824-K828 HydrophobicContact CB-CG 4.47Å; F824-K828 WeakPolarHBondContact O-CB 3.28Å; F824-K828 WeakPolarHBondContact O-CG 3.28Å; F824-K828 PolarHBondContact O-N 2.92Å; F824-T840 HydrophobicContact CB-CG2 3.93Å; F824-T840 HydrophobicContact CD1-CG2 3.5Å; F824-T840 VanDerWaalsContact CD1-CG2 3.5Å; F824-T840 HydrophobicContact CD2-CG2 3.94Å; F824-T840 HydrophobicContact CE1-CG2 3.73Å; F824-T840 HydrophobicContact CE2-CG2 4.13Å; F824-T840 HydrophobicContact CG-CG2 3.55Å; F824-T840 HydrophobicContact CZ-CG2 3.97Å; F824-L846 HydrophobicContact CE1-CD1 4.13Å; F824-L846 HydrophobicContact CE1-CD2 4.28Å; F824-L846 HydrophobicContact CZ-CD1 4.42Å; F824-L846 HydrophobicContact CZ-CD2 3.79Å; F824-V869 HydrophobicContact CE1-CG1 4.16Å; F824-V869 HydrophobicContact CZ-CG1 4.41Å; F824-T872 WeakPolarHBondContact CE1-OG1 3.12Å; F824-T872 WeakPolarHBondContact CZ-OG1 3.38Å; F824-M873 HydrophobicContact CE1-CE 4.06Å; F824-M873 HydrophobicContact CE2-CE 3.65Å; F824-M873 HydrophobicContact CZ-CE 3.12Å
825	D	83.2	Confident	84.1	Confident	81 Å²	81	56 Å²	56	43%	0.433	29%	0.288	S	S	.	.	H	α-helix	trans	-60.9	-42.3	-171.2	-69.7	-21.4	0	0	0	112.7	E822 R829	E822-D825 PolarHBondContact O-N 3.3Å; D825-R829 WeakPolarHBondContact O-CG 3.38Å; D825-R829 PolarHBondContact O-N 3.39Å
826	E	77.9	Confident	83.6	Confident	65 Å²	65	55.6 Å²	55.6	30%	0.304	29%	0.288	S	S	.	.	H	α-helix	trans	-65.6	-43.3	173.8	-175.7	66.7	-165.1	0	0	111	F824 K828 R829 C830 R1064	F824-E826 VanDerWaalsContact C-N 3.34Å; F824-E826 PolarHBondContact O-N 2.92Å; E826-K828 PolarHBondContact O-N 2.85Å; E826-R829 PolarHBondContact O-N 2.84Å; E826-R829 IonicContact OE2-CZ 3.77Å; E826-R829 IonicContact OE2-NH1 2.66Å; E826-R829 PolarHBondContact OE2-NH1 3.31Å; E826-R829 IonicContact OE2-NH2 2.64Å; E826-R829 PolarHBondContact OE2-NH2 3.3Å; E826-C830 PolarHBondContact O-N 2.88Å; E826-C830 PolarHBondContact O-SG 3.2Å; E826-R1064 IonicContact OE1-NH2 3.21Å
827	L	85.2	Confident	83.1	Confident	11 Å²	11	60.8 Å²	60.8	6%	0.058	32%	0.32	C	S	.	.	H	α-helix	trans	-65	-41.2	-178	-176.8	56	0	0	0	112.2	F824 R829 C830 I831 L838 L868 V869 T872	F824-L827 HydrophobicContact CD1-CD2 4.06Å; F824-L827 HydrophobicContact CE1-CD2 4.3Å; F824-L827 CarbonylContact O-C 3.54Å; F824-L827 PolarHBondContact O-N 3.33Å; L827-R829 VanDerWaalsContact C-N 3.34Å; L827-R829 PolarHBondContact O-N 2.87Å; L827-C830 WeakPolarHBondContact O-CB 3.12Å; L827-C830 PolarHBondContact O-N 3.23Å; L827-I831 HydrophobicContact CD1-CD1 3.62Å; L827-I831 HydrophobicContact CD1-CG1 4.07Å; L827-I831 HydrophobicContact CD2-CD1 4.47Å; L827-I831 HydrophobicContact CG-CD1 3.72Å; L827-I831 WeakPolarHBondContact O-CB 3.47Å; L827-I831 WeakPolarHBondContact O-CG1 3.47Å; L827-I831 PolarHBondContact O-N 3.31Å; L827-L838 HydrophobicContact CD2-CD1 4.34Å; L827-L838 HydrophobicContact CG-CD1 4.26Å; L827-L868 HydrophobicContact CD1-CB 3.61Å; L827-L868 HydrophobicContact CD1-CD1 3.92Å; L827-L868 HydrophobicContact CD1-CG 4.38Å; L827-L868 HydrophobicContact CD2-CB 4.31Å; L827-V869 HydrophobicContact CD2-CB 4.34Å; L827-V869 HydrophobicContact CD2-CG2 3.72Å; L827-T872 HydrophobicContact CB-CG2 4.39Å; L827-T872 HydrophobicContact CD2-CG2 3.88Å
828	K	86.8	Confident	82.8	Confident	66 Å²	66	59.7 Å²	59.7	29%	0.287	31%	0.313	S	S	.	.	H	α-helix	trans	-58.4	-45.7	174.1	-76	178.5	178.9	176.6	0	111.3	F824 E826 I831 A832 L838 T840	F824-K828 HydrophobicContact CB-CG 4.47Å; F824-K828 WeakPolarHBondContact O-CB 3.28Å; F824-K828 WeakPolarHBondContact O-CG 3.28Å; F824-K828 PolarHBondContact O-N 2.92Å; E826-K828 PolarHBondContact O-N 2.85Å; K828-I831 PolarHBondContact O-N 3.46Å; K828-A832 WeakPolarHBondContact O-CB 3.46Å; K828-A832 PolarHBondContact O-N 3.3Å; K828-L838 WeakPolarHBondContact CE-O 3.4Å; K828-L838 HydrophobicContact CG-CB 4.2Å; K828-T840 WeakPolarHBondContact CE-OG1 3.5Å; K828-T840 PolarHBondContact NZ-OG1 3.2Å
829	R	81.7	Confident	82.8	Confident	83 Å²	83	59 Å²	59	31%	0.313	30%	0.304	S	S	.	.	H	α-helix	trans	-63.7	-41.1	176.8	-73.1	-168	-84.5	112.8	3.3	112.4	D825 E826 L827 S1071 C1073	D825-R829 WeakPolarHBondContact O-CG 3.38Å; D825-R829 PolarHBondContact O-N 3.39Å; E826-R829 PolarHBondContact O-N 2.84Å; E826-R829 IonicContact OE2-CZ 3.77Å; E826-R829 IonicContact OE2-NH1 2.66Å; E826-R829 PolarHBondContact OE2-NH1 3.31Å; E826-R829 IonicContact OE2-NH2 2.64Å; E826-R829 PolarHBondContact OE2-NH2 3.3Å; L827-R829 VanDerWaalsContact C-N 3.34Å; L827-R829 PolarHBondContact O-N 2.87Å; R829-S1071 WeakPolarHBondContact CG-O 3.47Å; R829-C1073 HydrophobicContact CB-CB 4.39Å
830	C	82.1	Confident	82.8	Confident	6 Å²	6	59.4 Å²	59.4	4%	0.041	31%	0.306	C	S	.	.	H	α-helix	trans	-62.5	-46.2	175.6	-70.3	0	0	0	0	112.2	E826 L827 A832 C833 M1091 F1092	E826-C830 PolarHBondContact O-N 2.88Å; E826-C830 PolarHBondContact O-SG 3.2Å; L827-C830 WeakPolarHBondContact O-CB 3.12Å; L827-C830 PolarHBondContact O-N 3.23Å; C830-A832 VanDerWaalsContact C-N 3.34Å; C830-C833 VanDerWaalsContact O-CB 3.25Å; C830-C833 WeakPolarHBondContact O-CB 3.43Å; C830-C833 PolarHBondContact O-N 2.57Å; C830-M1091 HydrophobicContact CB-CE 3.81Å; C830-M1091 HydrophobicContact CB-CG 4.19Å; C830-F1092 WeakPolarHBondContact O-CE2 3.23Å
831	I	82.9	Confident	83.1	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-71	-32.1	-176.8	-71.7	169.9	0	0	0	111.7	L827 K828 C833 R834 F836 L838 V865 F1092	L827-I831 HydrophobicContact CD1-CD1 3.62Å; L827-I831 HydrophobicContact CD1-CG1 4.07Å; L827-I831 HydrophobicContact CD2-CD1 4.47Å; L827-I831 HydrophobicContact CG-CD1 3.72Å; L827-I831 WeakPolarHBondContact O-CB 3.47Å; L827-I831 WeakPolarHBondContact O-CG1 3.47Å; L827-I831 PolarHBondContact O-N 3.31Å; K828-I831 PolarHBondContact O-N 3.46Å; I831-C833 PolarHBondContact O-N 3.13Å; I831-R834 PolarHBondContact O-N 3.45Å; I831-F836 CarbonylContact C-O 3.32Å; I831-F836 HydrophobicContact CG2-CB 3.49Å; I831-F836 VanDerWaalsContact CG2-CB 3.49Å; I831-F836 HydrophobicContact CG2-CD2 4.41Å; I831-F836 HydrophobicContact CG2-CG 4.46Å; I831-F836 PolarHBondContact O-N 3.37Å; I831-L838 HydrophobicContact CD1-CD1 3.21Å; I831-L838 HydrophobicContact CD1-CD2 4.35Å; I831-L838 HydrophobicContact CD1-CG 3.66Å; I831-L838 HydrophobicContact CG2-CG 4.18Å; I831-V865 HydrophobicContact CD1-CG1 3.76Å; I831-V865 HydrophobicContact CD1-CG2 4.46Å; I831-V865 HydrophobicContact CG1-CG1 4.43Å; I831-V865 HydrophobicContact CG1-CG2 4.3Å; I831-F1092 HydrophobicContact CG1-CE2 4.24Å; I831-F1092 HydrophobicContact CG1-CZ 4.04Å
832	A	82.6	Confident	83.5	Confident	36 Å²	36	53.6 Å²	53.6	30%	0.298	29%	0.291	S	S	.	.	H	α-helix	trans	-60	-27.6	172.3	0	0	0	0	0	113.2	K828 C830 R834 G835 F836	K828-A832 WeakPolarHBondContact O-CB 3.46Å; K828-A832 PolarHBondContact O-N 3.3Å; C830-A832 VanDerWaalsContact C-N 3.34Å; A832-R834 PolarHBondContact O-N 2.75Å; A832-G835 PolarHBondContact O-N 2.92Å; A832-F836 WeakPolarHBondContact CA-O 3.33Å
833	C	74.5	Confident	84.2	Confident	33 Å²	33	49.6 Å²	49.6	22%	0.223	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-31.9	173.2	-65.1	0	0	0	0	112.5	C830 I831 G835 C1073	C830-C833 VanDerWaalsContact O-CB 3.25Å; C830-C833 WeakPolarHBondContact O-CB 3.43Å; C830-C833 PolarHBondContact O-N 2.57Å; I831-C833 PolarHBondContact O-N 3.13Å; C833-G835 VanDerWaalsContact C-N 3.33Å; C833-C1073 PolarHBondContact SG-SG 3.3Å
834	R	78.1	Confident	84.8	Confident	78 Å²	78	46.7 Å²	46.7	29%	0.294	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	1.3	177.5	-153	57.5	168.9	73.4	-1.7	113.4	I831 A832 F836 D855 F1092	I831-R834 PolarHBondContact O-N 3.45Å; A832-R834 PolarHBondContact O-N 2.75Å; R834-F836 HydrophobicContact CB-CD2 3.89Å; R834-F836 HydrophobicContact CB-CE2 4.02Å; R834-F836 HydrophobicContact CG-CD2 4.12Å; R834-F836 HydrophobicContact CG-CE2 3.7Å; R834-D855 IonicContact CZ-OD2 3.66Å; R834-D855 IonicContact NH1-OD2 2.81Å; R834-D855 PolarHBondContact NH1-OD2 3.23Å; R834-D855 IonicContact NH2-OD2 2.69Å; R834-D855 PolarHBondContact NH2-OD2 3.03Å; R834-F1092 HydrophobicContact CB-CD2 4.39Å
835	G	78.7	Confident	85.2	Confident	61 Å²	61	48 Å²	48	63%	0.629	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.4	10.7	178.6	0	0	0	0	0	114.6	A832 C833	A832-G835 PolarHBondContact O-N 2.92Å; C833-G835 VanDerWaalsContact C-N 3.33Å
836	F	84.2	Confident	85.7	Confident	39 Å²	39	44.1 Å²	44.1	17%	0.171	25%	0.254	C	S	.	.			trans	-97.7	153.1	177.1	-55	-57.7	0	0	0	111.3	I831 A832 R834 A853 D855	I831-F836 CarbonylContact C-O 3.32Å; I831-F836 HydrophobicContact CG2-CB 3.49Å; I831-F836 VanDerWaalsContact CG2-CB 3.49Å; I831-F836 HydrophobicContact CG2-CD2 4.41Å; I831-F836 HydrophobicContact CG2-CG 4.46Å; I831-F836 PolarHBondContact O-N 3.37Å; A832-F836 WeakPolarHBondContact CA-O 3.33Å; R834-F836 HydrophobicContact CB-CD2 3.89Å; R834-F836 HydrophobicContact CB-CE2 4.02Å; R834-F836 HydrophobicContact CG-CD2 4.12Å; R834-F836 HydrophobicContact CG-CE2 3.7Å; F836-A853 HydrophobicContact CB-CB 3.98Å; F836-A853 HydrophobicContact CD1-CB 4.35Å; F836-A853 HydrophobicContact CD2-CB 4.23Å; F836-A853 HydrophobicContact CG-CB 3.96Å; F836-D855 HydrophobicContact CZ-CB 4.28Å
837	V	85.5	Confident	86.3	Confident	124 Å²	124	42 Å²	42	75%	0.752	25%	0.248	S	C	*	.			trans	-119.5	122.6	177.9	179.8	0	0	0	0	108.7	S849	V837-S849 WeakPolarHBondContact O-CB 3.48Å
838	L	87.8	Confident	86.6	Confident	9 Å²	9	45.4 Å²	45.4	5%	0.047	27%	0.266	C	S	.	.			trans	-95.1	122.6	172.3	-75.3	-167.1	0	0	0	111.3	L827 K828 I831 L850 V869	L827-L838 HydrophobicContact CD2-CD1 4.34Å; L827-L838 HydrophobicContact CG-CD1 4.26Å; K828-L838 WeakPolarHBondContact CE-O 3.4Å; K828-L838 HydrophobicContact CG-CB 4.2Å; I831-L838 HydrophobicContact CD1-CD1 3.21Å; I831-L838 HydrophobicContact CD1-CD2 4.35Å; I831-L838 HydrophobicContact CD1-CG 3.66Å; I831-L838 HydrophobicContact CG2-CG 4.18Å; L838-L850 HydrophobicContact CD2-CD2 3.66Å; L838-L850 HydrophobicContact CD2-CG 4.15Å; L838-V869 HydrophobicContact CD1-CG2 4.27Å
839	D	89.8	Confident	86.8	Confident	69 Å²	69	42.8 Å²	42.8	37%	0.369	26%	0.256	S	S	.	.			trans	-98.9	117.8	171	-176.5	3.4	0	0	0	110	S841 S845 L846 S849	D839-S841 WeakPolarHBondContact OD1-CB 3.42Å; D839-S841 PolarHBondContact OD1-N 3.17Å; D839-S841 PolarHBondContact OD1-OG 3.44Å; D839-S841 PolarHBondContact OD2-OG 3.25Å; D839-S845 VanDerWaalsContact CG-CB 3.5Å; D839-S845 CarbonylContact O-C 3.59Å; D839-S845 VanDerWaalsContact O-C 3.32Å; D839-S845 WeakPolarHBondContact OD2-CB 3.5Å; D839-S845 PolarHBondContact OD2-OG 3.41Å; D839-L846 WeakPolarHBondContact O-CA 3.37Å; D839-L846 PolarHBondContact O-N 3.26Å; D839-S849 PolarHBondContact N-OG 2.84Å
840	T	88.1	Confident	87.1	Confident	24 Å²	24	39.1 Å²	39.1	15%	0.147	24%	0.243	C	C	.	.			trans	-107.3	14.7	-178.4	64.4	0	0	0	0	112.2	F824 K828 S842 L846	F824-T840 HydrophobicContact CB-CG2 3.93Å; F824-T840 HydrophobicContact CD1-CG2 3.5Å; F824-T840 VanDerWaalsContact CD1-CG2 3.5Å; F824-T840 HydrophobicContact CD2-CG2 3.94Å; F824-T840 HydrophobicContact CE1-CG2 3.73Å; F824-T840 HydrophobicContact CE2-CG2 4.13Å; F824-T840 HydrophobicContact CG-CG2 3.55Å; F824-T840 HydrophobicContact CZ-CG2 3.97Å; K828-T840 WeakPolarHBondContact CE-OG1 3.5Å; K828-T840 PolarHBondContact NZ-OG1 3.2Å; T840-S842 VanDerWaalsContact C-N 3.27Å; T840-S842 PolarHBondContact O-N 2.97Å; T840-L846 HydrophobicContact CG2-CD1 4.27Å
841	S	90	Very high	87.3	Confident	65 Å²	65	46.3 Å²	46.3	46%	0.455	27%	0.273	S	S	.	.	S	Bend	trans	-64.2	-31.4	-177	58.1	0	0	0	0	113.2	D839 S845	D839-S841 WeakPolarHBondContact OD1-CB 3.42Å; D839-S841 PolarHBondContact OD1-N 3.17Å; D839-S841 PolarHBondContact OD1-OG 3.44Å; D839-S841 PolarHBondContact OD2-OG 3.25Å; S841-S845 WeakPolarHBondContact OG-CB 3.27Å; S841-S845 PolarHBondContact OG-OG 3.46Å
842	S	91	Very high	87.5	Confident	41 Å²	41	52.1 Å²	52.1	29%	0.287	30%	0.304	S	S	.	.	S	Bend	trans	-149.6	165.6	174	71.9	0	0	0	0	109.9	T840 L844 S845 L846	T840-S842 VanDerWaalsContact C-N 3.27Å; T840-S842 PolarHBondContact O-N 2.97Å; S842-L844 VanDerWaalsContact C-N 3.29Å; S842-L844 PolarHBondContact O-N 3.32Å; S842-L844 PolarHBondContact OG-N 3.03Å; S842-S845 PolarHBondContact O-N 2.78Å; S842-S845 WeakPolarHBondContact OG-CB 3.2Å; S842-S845 PolarHBondContact OG-N 3.03Å; S842-S845 PolarHBondContact OG-OG 3.37Å; S842-L846 WeakPolarHBondContact O-CB 3.38Å; S842-L846 PolarHBondContact O-N 2.9Å
843	N	91.7	Very high	87.4	Confident	28 Å²	28	50.5 Å²	50.5	15%	0.15	29%	0.291	C	S	.	.	H	α-helix	trans	-61	-37.7	172.1	56.9	-13.6	0	0	0	111.9	G750 L752 L846 A847 Y894	G750-N843 VanDerWaalsContact O-CB 3.27Å; G750-N843 WeakPolarHBondContact O-CB 3.4Å; G750-N843 VanDerWaalsContact O-CG 3.25Å; G750-N843 PolarHBondContact O-ND2 3.07Å; L752-N843 HydrophobicContact CD2-CB 4.5Å; L752-N843 WeakPolarHBondContact CD2-O 3.19Å; L752-N843 HydrophobicContact CG-CB 4.4Å; N843-L846 PolarHBondContact O-N 3.27Å; N843-A847 WeakPolarHBondContact O-CB 3.34Å; N843-A847 PolarHBondContact O-N 2.98Å; N843-Y894 WeakPolarHBondContact CA-OH 3.48Å; N843-Y894 HydrophobicContact CB-CD1 4.36Å; N843-Y894 HydrophobicContact CB-CD2 4.12Å; N843-Y894 HydrophobicContact CB-CE1 3.94Å; N843-Y894 HydrophobicContact CB-CE2 3.7Å; N843-Y894 HydrophobicContact CB-CG 4.44Å; N843-Y894 PolarHBondContact N-OH 3.26Å; N843-Y894 PolarHBondContact ND2-O 2.75Å; N843-Y894 VanDerWaalsContact ND2-O 3.1Å
844	L	93.9	Very high	87.7	Confident	61 Å²	61	51.4 Å²	51.4	32%	0.319	30%	0.297	S	S	.	.	H	α-helix	trans	-64.4	-46	175.1	-179.1	61.3	0	0	0	112.4	S842 L846 A847 N848	S842-L844 VanDerWaalsContact C-N 3.29Å; S842-L844 PolarHBondContact O-N 3.32Å; S842-L844 PolarHBondContact OG-N 3.03Å; L844-L846 VanDerWaalsContact C-N 3.27Å; L844-L846 PolarHBondContact O-N 3.43Å; L844-A847 PolarHBondContact O-N 3.2Å; L844-N848 WeakPolarHBondContact O-CB 3.49Å; L844-N848 PolarHBondContact O-N 3.01Å; L844-N848 PolarHBondContact O-ND2 2.79Å
845	S	93.9	Very high	87.9	Confident	28 Å²	28	48.6 Å²	48.6	20%	0.196	29%	0.288	C	S	.	.	H	α-helix	trans	-61.5	-38.5	175.5	-55.4	0	0	0	0	111.8	D839 S841 S842 S849	D839-S845 VanDerWaalsContact CG-CB 3.5Å; D839-S845 CarbonylContact O-C 3.59Å; D839-S845 VanDerWaalsContact O-C 3.32Å; D839-S845 WeakPolarHBondContact OD2-CB 3.5Å; D839-S845 PolarHBondContact OD2-OG 3.41Å; S841-S845 WeakPolarHBondContact OG-CB 3.27Å; S841-S845 PolarHBondContact OG-OG 3.46Å; S842-S845 PolarHBondContact O-N 2.78Å; S842-S845 WeakPolarHBondContact OG-CB 3.2Å; S842-S845 PolarHBondContact OG-N 3.03Å; S842-S845 PolarHBondContact OG-OG 3.37Å; S845-S849 WeakPolarHBondContact O-CB 2.99Å; S845-S849 PolarHBondContact O-N 3.24Å; S845-S849 PolarHBondContact O-OG 3.24Å
846	L	92.9	Very high	88	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-66.5	-46.1	176.2	-178.4	60	0	0	0	111.2	L752 F824 D839 T840 S842 N843 L844 N848 S849 L850 V869 M873	L752-L846 HydrophobicContact CD1-CD2 4.05Å; L752-L846 HydrophobicContact CD2-CB 4.12Å; L752-L846 HydrophobicContact CD2-CD2 4.06Å; L752-L846 HydrophobicContact CD2-CG 4.02Å; F824-L846 HydrophobicContact CE1-CD1 4.13Å; F824-L846 HydrophobicContact CE1-CD2 4.28Å; F824-L846 HydrophobicContact CZ-CD1 4.42Å; F824-L846 HydrophobicContact CZ-CD2 3.79Å; D839-L846 WeakPolarHBondContact O-CA 3.37Å; D839-L846 PolarHBondContact O-N 3.26Å; T840-L846 HydrophobicContact CG2-CD1 4.27Å; S842-L846 WeakPolarHBondContact O-CB 3.38Å; S842-L846 PolarHBondContact O-N 2.9Å; N843-L846 PolarHBondContact O-N 3.27Å; L844-L846 VanDerWaalsContact C-N 3.27Å; L844-L846 PolarHBondContact O-N 3.43Å; L846-N848 PolarHBondContact O-N 3.23Å; L846-S849 WeakPolarHBondContact CA-OG 3.1Å; L846-S849 PolarHBondContact O-N 3.06Å; L846-S849 PolarHBondContact O-OG 2.94Å; L846-L850 HydrophobicContact CD1-CD1 4.05Å; L846-L850 HydrophobicContact CD1-CG 4.17Å; L846-L850 HydrophobicContact CG-CD1 3.96Å; L846-L850 WeakPolarHBondContact O-CB 3.16Å; L846-L850 VanDerWaalsContact O-CG 3.23Å; L846-L850 WeakPolarHBondContact O-CG 3.49Å; L846-L850 PolarHBondContact O-N 3.34Å; L846-V869 HydrophobicContact CD2-CG1 4.28Å; L846-M873 HydrophobicContact CD2-CE 4.2Å
847	A	90.8	Very high	87.8	Confident	21 Å²	21	54.7 Å²	54.7	17%	0.174	32%	0.315	C	S	.	.	H	α-helix	trans	-56.7	-48.7	175.2	0	0	0	0	0	111.7	L752 N843 L844 L850 K851	L752-A847 HydrophobicContact CD2-CB 4.03Å; N843-A847 WeakPolarHBondContact O-CB 3.34Å; N843-A847 PolarHBondContact O-N 2.98Å; L844-A847 PolarHBondContact O-N 3.2Å; A847-L850 PolarHBondContact O-N 3.1Å; A847-K851 PolarHBondContact O-N 3.39Å
848	N	91.8	Very high	87.7	Confident	82 Å²	82	49.3 Å²	49.3	44%	0.439	28%	0.282	S	S	.	.	H	α-helix	trans	-64.7	-43.8	-179.7	-72.4	-26.7	0	0	0	112.1	L844 L846 L850 K851 N852	L844-N848 WeakPolarHBondContact O-CB 3.49Å; L844-N848 PolarHBondContact O-N 3.01Å; L844-N848 PolarHBondContact O-ND2 2.79Å; L846-N848 PolarHBondContact O-N 3.23Å; N848-L850 VanDerWaalsContact C-N 3.33Å; N848-L850 PolarHBondContact O-N 2.8Å; N848-K851 PolarHBondContact O-N 3.12Å; N848-N852 VanDerWaalsContact O-CG 3.24Å; N848-N852 PolarHBondContact O-N 3.42Å; N848-N852 VanDerWaalsContact O-N 3.11Å; N848-N852 PolarHBondContact O-ND2 2.89Å
849	S	91.1	Very high	87.5	Confident	11 Å²	11	52.6 Å²	52.6	8%	0.077	30%	0.304	C	S	.	.	H	α-helix	trans	-66.1	-34.5	177.2	58.8	0	0	0	0	112.5	V837 D839 S845 L846 N852 A853	V837-S849 WeakPolarHBondContact O-CB 3.48Å; D839-S849 PolarHBondContact N-OG 2.84Å; S845-S849 WeakPolarHBondContact O-CB 2.99Å; S845-S849 PolarHBondContact O-N 3.24Å; S845-S849 PolarHBondContact O-OG 3.24Å; L846-S849 WeakPolarHBondContact CA-OG 3.1Å; L846-S849 PolarHBondContact O-N 3.06Å; L846-S849 PolarHBondContact O-OG 2.94Å; S849-N852 PolarHBondContact O-N 3.16Å; S849-A853 VanDerWaalsContact O-CB 3.3Å; S849-A853 WeakPolarHBondContact O-CB 3.43Å; S849-A853 PolarHBondContact O-N 3.49Å
850	L	88.8	Confident	87.2	Confident	6 Å²	6	51.8 Å²	51.8	3%	0.031	30%	0.298	C	S	.	.	H	α-helix	trans	-68.9	-38.4	173.7	-71.4	169.2	0	0	0	113.2	L754 L838 L846 A847 N848 N852 A853 V865 V869	L754-L850 HydrophobicContact CD2-CD1 4.3Å; L838-L850 HydrophobicContact CD2-CD2 3.66Å; L838-L850 HydrophobicContact CD2-CG 4.15Å; L846-L850 HydrophobicContact CD1-CD1 4.05Å; L846-L850 HydrophobicContact CD1-CG 4.17Å; L846-L850 HydrophobicContact CG-CD1 3.96Å; L846-L850 WeakPolarHBondContact O-CB 3.16Å; L846-L850 VanDerWaalsContact O-CG 3.23Å; L846-L850 WeakPolarHBondContact O-CG 3.49Å; L846-L850 PolarHBondContact O-N 3.34Å; A847-L850 PolarHBondContact O-N 3.1Å; N848-L850 VanDerWaalsContact C-N 3.33Å; N848-L850 PolarHBondContact O-N 2.8Å; L850-N852 VanDerWaalsContact C-N 3.26Å; L850-N852 PolarHBondContact O-N 3.48Å; L850-A853 PolarHBondContact O-N 2.86Å; L850-V865 HydrophobicContact CD2-CG1 4Å; L850-V869 HydrophobicContact CD1-CG1 4.2Å; L850-V869 HydrophobicContact CD1-CG2 4.38Å; L850-V869 HydrophobicContact CD2-CG2 3.66Å
851	K	86.1	Confident	86.9	Confident	156 Å²	156	50.7 Å²	50.7	68%	0.678	29%	0.291	S	S	*	.	H	α-helix	trans	-61.1	-39.4	173.9	-170.1	175.4	-177.8	175	0	111.3	A847 N848 S854	A847-K851 PolarHBondContact O-N 3.39Å; N848-K851 PolarHBondContact O-N 3.12Å; K851-S854 PolarHBondContact O-OG 3.1Å
852	N	85.5	Confident	86.6	Confident	122 Å²	122	49 Å²	49	65%	0.652	28%	0.277	S	S	*	.	H	α-helix	trans	-75.7	-22.8	177.2	-64.4	-21.2	0	0	0	113.2	N848 S849 L850 S854	N848-N852 VanDerWaalsContact O-CG 3.24Å; N848-N852 PolarHBondContact O-N 3.42Å; N848-N852 VanDerWaalsContact O-N 3.11Å; N848-N852 PolarHBondContact O-ND2 2.89Å; S849-N852 PolarHBondContact O-N 3.16Å; L850-N852 VanDerWaalsContact C-N 3.26Å; L850-N852 PolarHBondContact O-N 3.48Å; N852-S854 PolarHBondContact O-N 2.83Å
853	A	82.3	Confident	86.2	Confident	2 Å²	2	50.5 Å²	50.5	2%	0.017	28%	0.278	C	S	.	.			trans	-83.2	50.7	178.1	0	0	0	0	0	112.2	F836 S849 L850	F836-A853 HydrophobicContact CB-CB 3.98Å; F836-A853 HydrophobicContact CD1-CB 4.35Å; F836-A853 HydrophobicContact CD2-CB 4.23Å; F836-A853 HydrophobicContact CG-CB 3.96Å; S849-A853 VanDerWaalsContact O-CB 3.3Å; S849-A853 WeakPolarHBondContact O-CB 3.43Å; S849-A853 PolarHBondContact O-N 3.49Å; L850-A853 PolarHBondContact O-N 2.86Å
854	S	80.5	Confident	85.8	Confident	52 Å²	52	49.2 Å²	49.2	36%	0.364	27%	0.271	S	S	.	.			trans	-116	130.8	177.1	51.1	0	0	0	0	110.4	K851 N852	K851-S854 PolarHBondContact O-OG 3.1Å; N852-S854 PolarHBondContact O-N 2.83Å
855	D	81.8	Confident	85.5	Confident	19 Å²	19	46.4 Å²	46.4	10%	0.102	26%	0.257	C	S	.	.			trans	-99.9	112.7	167.8	-167.5	-29.3	0	0	0	109	R834 F836 N857 D858	R834-D855 IonicContact CZ-OD2 3.66Å; R834-D855 IonicContact NH1-OD2 2.81Å; R834-D855 PolarHBondContact NH1-OD2 3.23Å; R834-D855 IonicContact NH2-OD2 2.69Å; R834-D855 PolarHBondContact NH2-OD2 3.03Å; F836-D855 HydrophobicContact CZ-CB 4.28Å; D855-N857 PolarHBondContact O-N 2.5Å; D855-N857 WeakPolarHBondContact OD1-CB 3.44Å; D855-N857 PolarHBondContact OD1-N 3.23Å; D855-N857 PolarHBondContact OD1-ND2 2.89Å; D855-D858 HydrophobicContact CB-CB 4.39Å; D855-D858 CarbonylContact O-C 3.29Å; D855-D858 VanDerWaalsContact O-C 3.29Å; D855-D858 PolarHBondContact O-N 3.04Å; D855-D858 VanDerWaalsContact O-N 3.1Å
856	P	79.5	Confident	85.2	Confident	121 Å²	121	46.7 Å²	46.7	79%	0.786	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-24.1	177.7	-24.4	34.6	0	0	0	114.2
857	N	81.4	Confident	84.8	Confident	108 Å²	108	48.3 Å²	48.3	58%	0.578	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-13.9	179.7	-50.6	-72.7	0	0	0	112.7	D855 Y1123	D855-N857 PolarHBondContact O-N 2.5Å; D855-N857 WeakPolarHBondContact OD1-CB 3.44Å; D855-N857 PolarHBondContact OD1-N 3.23Å; D855-N857 PolarHBondContact OD1-ND2 2.89Å; N857-Y1123 HydrophobicContact CB-CD1 3.92Å; N857-Y1123 HydrophobicContact CB-CE1 4.01Å; N857-Y1123 WeakPolarHBondContact O-CE1 3.35Å
858	D	83.9	Confident	84.6	Confident	10 Å²	10	47.8 Å²	47.8	5%	0.053	26%	0.255	C	S	.	.			trans	-146	79.9	-174.6	-168.6	-14.3	0	0	0	110.9	D855 E860 V861 H1094	D855-D858 HydrophobicContact CB-CB 4.39Å; D855-D858 CarbonylContact O-C 3.29Å; D855-D858 VanDerWaalsContact O-C 3.29Å; D855-D858 PolarHBondContact O-N 3.04Å; D855-D858 VanDerWaalsContact O-N 3.1Å; D858-E860 PolarHBondContact O-N 2.72Å; D858-E860 PolarHBondContact OD1-N 2.86Å; D858-V861 HydrophobicContact CB-CG2 4.33Å; D858-V861 VanDerWaalsContact CG-CG2 3.41Å; D858-V861 PolarHBondContact O-N 2.79Å; D858-V861 PolarHBondContact OD1-N 3.31Å; D858-V861 WeakPolarHBondContact OD2-CG2 3.42Å; D858-H1094 VanDerWaalsContact CG-NE2 3.33Å; D858-H1094 IonicContact OD1-CE1 2.67Å; D858-H1094 IonicContact OD1-NE2 2.71Å; D858-H1094 PolarHBondContact OD1-NE2 2.97Å; D858-H1094 IonicContact OD2-CD2 3.65Å; D858-H1094 PolarHBondContact OD2-CD2 3.21Å; D858-H1094 IonicContact OD2-CE1 3.8Å; D858-H1094 IonicContact OD2-NE2 3.8Å; D858-H1094 PolarHBondContact OD2-NE2 3.43Å
859	P	82.4	Confident	84.5	Confident	79 Å²	79	43.9 Å²	43.9	51%	0.513	24%	0.235	S	C	.	.	H	α-helix	trans	-66.5	-24.2	-179	26.4	-34.2	0	0	0	112.9	N862 K863	P859-N862 WeakPolarHBondContact O-CB 3.25Å; P859-N862 PolarHBondContact O-N 2.94Å; P859-K863 PolarHBondContact O-N 2.57Å
860	E	82.8	Confident	84.3	Confident	51 Å²	51	45.9 Å²	45.9	24%	0.238	25%	0.246	C	C	.	.	H	α-helix	trans	-68.8	-35.4	-179.4	-67.7	-59.3	124.1	0	0	111.8	D858 N862 K863 V864 I1006 P1021	D858-E860 PolarHBondContact O-N 2.72Å; D858-E860 PolarHBondContact OD1-N 2.86Å; E860-N862 VanDerWaalsContact C-N 3.25Å; E860-N862 PolarHBondContact O-N 3.02Å; E860-K863 WeakPolarHBondContact O-CB 3.09Å; E860-K863 PolarHBondContact O-N 2.89Å; E860-K863 VanDerWaalsContact O-N 3.12Å; E860-K863 WeakPolarHBondContact OE1-CE 3.26Å; E860-K863 IonicContact OE1-NZ 3.01Å; E860-K863 PolarHBondContact OE1-NZ 2.95Å; E860-K863 IonicContact OE2-NZ 3.68Å; E860-V864 WeakPolarHBondContact O-CG2 3.43Å; E860-V864 PolarHBondContact O-N 3.19Å; E860-I1006 HydrophobicContact CB-CD1 3.55Å; E860-P1021 WeakPolarHBondContact OE2-CB 3.23Å
861	V	83	Confident	84.1	Confident	2 Å²	2	52.1 Å²	52.1	1%	0.012	27%	0.269	C	S	.	.	H	α-helix	trans	-59.1	-39.3	173.7	168.7	0	0	0	0	111.5	D858 K863 V864 V865 F1092	D858-V861 HydrophobicContact CB-CG2 4.33Å; D858-V861 VanDerWaalsContact CG-CG2 3.41Å; D858-V861 PolarHBondContact O-N 2.79Å; D858-V861 PolarHBondContact OD1-N 3.31Å; D858-V861 WeakPolarHBondContact OD2-CG2 3.42Å; V861-K863 VanDerWaalsContact C-N 3.34Å; V861-K863 PolarHBondContact O-N 3.47Å; V861-V864 PolarHBondContact O-N 3.12Å; V861-V865 HydrophobicContact CG1-CG2 4.27Å; V861-V865 WeakPolarHBondContact O-CB 3.45Å; V861-V865 VanDerWaalsContact O-CG2 3.28Å; V861-V865 WeakPolarHBondContact O-CG2 3.41Å; V861-V865 PolarHBondContact O-N 3.38Å; V861-F1092 HydrophobicContact CG1-CB 4.11Å; V861-F1092 HydrophobicContact CG1-CD1 4.08Å; V861-F1092 HydrophobicContact CG1-CG 4.04Å; V861-F1092 HydrophobicContact CG2-CB 4Å
862	N	83.4	Confident	84.1	Confident	28 Å²	28	45.4 Å²	45.4	15%	0.15	24%	0.242	C	C	.	.	H	α-helix	trans	-63	-40.6	177	-179.9	26.1	0	0	0	111.5	P859 E860 V865 R866	P859-N862 WeakPolarHBondContact O-CB 3.25Å; P859-N862 PolarHBondContact O-N 2.94Å; E860-N862 VanDerWaalsContact C-N 3.25Å; E860-N862 PolarHBondContact O-N 3.02Å; N862-V865 PolarHBondContact O-N 3.25Å; N862-R866 PolarHBondContact ND2-NH1 2.9Å; N862-R866 PolarHBondContact O-N 3.35Å; N862-R866 VanDerWaalsContact O-N 3.07Å; N862-R866 VanDerWaalsContact OD1-CZ 3.27Å; N862-R866 PolarHBondContact OD1-NH1 3.32Å; N862-R866 PolarHBondContact OD1-NH2 2.84Å
863	K	82.2	Confident	84.3	Confident	73 Å²	73	40.6 Å²	40.6	32%	0.317	22%	0.216	S	C	.	.	H	α-helix	trans	-62	-47.7	173.8	-52.6	-171.2	177.9	158.7	0	111.3	E755 P859 E860 V861 V865 R866 Q867	E755-K863 WeakPolarHBondContact OE2-CA 3.17Å; E755-K863 WeakPolarHBondContact OE2-CB 3.42Å; E755-K863 VanDerWaalsContact OE2-CG 3.25Å; E755-K863 WeakPolarHBondContact OE2-CG 3.33Å; P859-K863 PolarHBondContact O-N 2.57Å; E860-K863 WeakPolarHBondContact O-CB 3.09Å; E860-K863 PolarHBondContact O-N 2.89Å; E860-K863 VanDerWaalsContact O-N 3.12Å; E860-K863 WeakPolarHBondContact OE1-CE 3.26Å; E860-K863 IonicContact OE1-NZ 3.01Å; E860-K863 PolarHBondContact OE1-NZ 2.95Å; E860-K863 IonicContact OE2-NZ 3.68Å; V861-K863 VanDerWaalsContact C-N 3.34Å; V861-K863 PolarHBondContact O-N 3.47Å; K863-V865 VanDerWaalsContact C-N 3.34Å; K863-V865 PolarHBondContact O-N 2.93Å; K863-R866 PolarHBondContact O-N 2.83Å; K863-Q867 WeakPolarHBondContact O-CG 3.26Å; K863-Q867 PolarHBondContact O-N 3.41Å
864	V	84.6	Confident	84.6	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.006	23%	0.226	C	C	.	.	H	α-helix	trans	-60.9	-42.7	178.4	172	0	0	0	0	111.5	E860 V861 R866 Q867 L868 I1006 C1008 F1019 F1092	E860-V864 WeakPolarHBondContact O-CG2 3.43Å; E860-V864 PolarHBondContact O-N 3.19Å; V861-V864 PolarHBondContact O-N 3.12Å; V864-R866 PolarHBondContact O-N 2.79Å; V864-Q867 WeakPolarHBondContact O-CB 3.31Å; V864-Q867 PolarHBondContact O-N 2.85Å; V864-L868 HydrophobicContact CG1-CD1 4.18Å; V864-L868 HydrophobicContact CG1-CG 4.38Å; V864-L868 WeakPolarHBondContact O-CG 3.25Å; V864-L868 PolarHBondContact O-N 3.22Å; V864-I1006 HydrophobicContact CG1-CG2 4.49Å; V864-I1006 HydrophobicContact CG2-CB 4.29Å; V864-I1006 HydrophobicContact CG2-CD1 3.88Å; V864-I1006 HydrophobicContact CG2-CG2 4.26Å; V864-C1008 HydrophobicContact CG1-CB 4.45Å; V864-C1008 WeakPolarHBondContact CG1-SG 3.32Å; V864-F1019 HydrophobicContact CG2-CD1 3.74Å; V864-F1019 HydrophobicContact CG2-CE1 4.36Å; V864-F1092 HydrophobicContact CG1-CD1 4.22Å; V864-F1092 HydrophobicContact CG1-CE1 4.02Å
865	V	86.5	Confident	85.1	Confident	2 Å²	2	44.5 Å²	44.5	1%	0.012	23%	0.234	C	C	.	.	H	α-helix	trans	-58.9	-48.6	176	166.1	0	0	0	0	110.4	I831 L850 V861 N862 K863 Q867 L868 V869 F1092	I831-V865 HydrophobicContact CD1-CG1 3.76Å; I831-V865 HydrophobicContact CD1-CG2 4.46Å; I831-V865 HydrophobicContact CG1-CG1 4.43Å; I831-V865 HydrophobicContact CG1-CG2 4.3Å; L850-V865 HydrophobicContact CD2-CG1 4Å; V861-V865 HydrophobicContact CG1-CG2 4.27Å; V861-V865 WeakPolarHBondContact O-CB 3.45Å; V861-V865 VanDerWaalsContact O-CG2 3.28Å; V861-V865 WeakPolarHBondContact O-CG2 3.41Å; V861-V865 PolarHBondContact O-N 3.38Å; N862-V865 PolarHBondContact O-N 3.25Å; K863-V865 VanDerWaalsContact C-N 3.34Å; K863-V865 PolarHBondContact O-N 2.93Å; V865-Q867 VanDerWaalsContact C-N 3.33Å; V865-Q867 PolarHBondContact O-N 2.77Å; V865-L868 PolarHBondContact O-N 3.08Å; V865-V869 WeakPolarHBondContact O-CG2 3.43Å; V865-V869 PolarHBondContact O-N 3Å; V865-F1092 HydrophobicContact CG2-CE1 3.81Å; V865-F1092 HydrophobicContact CG2-CZ 3.8Å
866	R	88.2	Confident	85.7	Confident	34 Å²	34	44.6 Å²	44.6	13%	0.128	24%	0.237	C	C	.	.	H	α-helix	trans	-62.4	-37.4	176.9	-75.4	-169.1	179.2	86.9	19.3	113.1	E753 E755 N862 K863 V864 V869 T870	E753-R866 WeakPolarHBondContact O-CD 3.33Å; E753-R866 PolarHBondContact O-NE 3.36Å; E755-R866 HydrophobicContact CB-CB 3.92Å; E755-R866 HydrophobicContact CG-CB 4.41Å; E755-R866 VanDerWaalsContact OE1-CD 3.29Å; E755-R866 WeakPolarHBondContact OE1-CD 3.37Å; E755-R866 IonicContact OE1-CZ 2.64Å; E755-R866 IonicContact OE1-NE 2.77Å; E755-R866 IonicContact OE1-NH1 3.28Å; E755-R866 PolarHBondContact OE1-NH1 2.71Å; N862-R866 PolarHBondContact ND2-NH1 2.9Å; N862-R866 PolarHBondContact O-N 3.35Å; N862-R866 VanDerWaalsContact O-N 3.07Å; N862-R866 VanDerWaalsContact OD1-CZ 3.27Å; N862-R866 PolarHBondContact OD1-NH1 3.32Å; N862-R866 PolarHBondContact OD1-NH2 2.84Å; K863-R866 PolarHBondContact O-N 2.83Å; V864-R866 PolarHBondContact O-N 2.79Å; R866-V869 PolarHBondContact O-N 3.06Å; R866-T870 PolarHBondContact O-N 2.79Å; R866-T870 PolarHBondContact O-OG1 2.81Å
867	Q	85.1	Confident	86.5	Confident	35 Å²	35	42 Å²	42	16%	0.164	22%	0.216	C	C	.	.	H	α-helix	trans	-64	-42.3	173.3	-71.8	176.6	-6.2	0	0	112.3	E755 K863 V864 V865 V869 T870 R871 F1019	E755-Q867 VanDerWaalsContact O-CG 3.31Å; E755-Q867 WeakPolarHBondContact O-CG 3.28Å; K863-Q867 WeakPolarHBondContact O-CG 3.26Å; K863-Q867 PolarHBondContact O-N 3.41Å; V864-Q867 WeakPolarHBondContact O-CB 3.31Å; V864-Q867 PolarHBondContact O-N 2.85Å; V865-Q867 VanDerWaalsContact C-N 3.33Å; V865-Q867 PolarHBondContact O-N 2.77Å; Q867-V869 VanDerWaalsContact C-N 3.31Å; Q867-V869 PolarHBondContact O-N 2.93Å; Q867-T870 WeakPolarHBondContact O-CB 3.32Å; Q867-T870 PolarHBondContact O-N 2.94Å; Q867-R871 PolarHBondContact O-N 3.41Å; Q867-R871 VanDerWaalsContact O-N 3.09Å; Q867-F1019 VanDerWaalsContact NE2-CZ 3.3Å
868	L	86.1	Confident	87.3	Confident	9 Å²	9	37.4 Å²	37.4	5%	0.047	19%	0.191	C	C	.	.	H	α-helix	trans	-63.4	-38.7	176.8	-71.7	175.6	0	0	0	111.5	L827 V864 V865 R871 T872 C1008 F1092	L827-L868 HydrophobicContact CD1-CB 3.61Å; L827-L868 HydrophobicContact CD1-CD1 3.92Å; L827-L868 HydrophobicContact CD1-CG 4.38Å; L827-L868 HydrophobicContact CD2-CB 4.31Å; V864-L868 HydrophobicContact CG1-CD1 4.18Å; V864-L868 HydrophobicContact CG1-CG 4.38Å; V864-L868 WeakPolarHBondContact O-CG 3.25Å; V864-L868 PolarHBondContact O-N 3.22Å; V865-L868 PolarHBondContact O-N 3.08Å; L868-R871 WeakPolarHBondContact O-CB 3.45Å; L868-R871 PolarHBondContact O-N 3.22Å; L868-T872 PolarHBondContact O-N 2.95Å; L868-C1008 HydrophobicContact CD2-CB 4.42Å; L868-F1092 HydrophobicContact CD1-CE1 3.86Å; L868-F1092 HydrophobicContact CD1-CZ 4.11Å
869	V	89.3	Confident	87.9	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-64.8	-43.6	172.8	176.2	0	0	0	0	111.3	L754 F824 L827 L838 L846 L850 V865 R866 Q867 R871 T872 M873	L754-V869 HydrophobicContact CD2-CB 4.15Å; L754-V869 HydrophobicContact CD2-CG1 3.66Å; F824-V869 HydrophobicContact CE1-CG1 4.16Å; F824-V869 HydrophobicContact CZ-CG1 4.41Å; L827-V869 HydrophobicContact CD2-CB 4.34Å; L827-V869 HydrophobicContact CD2-CG2 3.72Å; L838-V869 HydrophobicContact CD1-CG2 4.27Å; L846-V869 HydrophobicContact CD2-CG1 4.28Å; L850-V869 HydrophobicContact CD1-CG1 4.2Å; L850-V869 HydrophobicContact CD1-CG2 4.38Å; L850-V869 HydrophobicContact CD2-CG2 3.66Å; V865-V869 WeakPolarHBondContact O-CG2 3.43Å; V865-V869 PolarHBondContact O-N 3Å; R866-V869 PolarHBondContact O-N 3.06Å; Q867-V869 VanDerWaalsContact C-N 3.31Å; Q867-V869 PolarHBondContact O-N 2.93Å; V869-R871 PolarHBondContact O-N 2.69Å; V869-T872 PolarHBondContact O-N 3.31Å; V869-T872 PolarHBondContact O-OG1 3.07Å; V869-M873 HydrophobicContact CG1-CE 3.76Å; V869-M873 WeakPolarHBondContact O-CE 3.41Å; V869-M873 PolarHBondContact O-N 3.38Å
870	T	87.5	Confident	88.5	Confident	53 Å²	53	33.8 Å²	33.8	33%	0.325	17%	0.167	S	C	.	.	H	α-helix	trans	-54.9	-38.5	176.4	-53.5	0	0	0	0	111.1	L754 R866 Q867 T872 M873	L754-T870 WeakPolarHBondContact CB-OG1 3.13Å; R866-T870 PolarHBondContact O-N 2.79Å; R866-T870 PolarHBondContact O-OG1 2.81Å; Q867-T870 WeakPolarHBondContact O-CB 3.32Å; Q867-T870 PolarHBondContact O-N 2.94Å; T870-T872 VanDerWaalsContact C-N 3.34Å; T870-T872 PolarHBondContact O-N 3.27Å; T870-M873 WeakPolarHBondContact O-CB 3.45Å; T870-M873 PolarHBondContact O-N 3.24Å
871	R	83.4	Confident	89	Confident	137 Å²	137	31.8 Å²	31.8	52%	0.517	16%	0.158	S	C	.	.	H	α-helix	trans	-70.8	-25.1	177.2	-169.9	178.4	66.6	159.8	-0.9	114	Q867 L868 V869 M873 K1026	Q867-R871 PolarHBondContact O-N 3.41Å; Q867-R871 VanDerWaalsContact O-N 3.09Å; L868-R871 WeakPolarHBondContact O-CB 3.45Å; L868-R871 PolarHBondContact O-N 3.22Å; V869-R871 PolarHBondContact O-N 2.69Å; R871-M873 VanDerWaalsContact C-N 3.31Å; R871-K1026 VanDerWaalsContact NH1-NZ 3.11Å
872	T	86.6	Confident	89.2	Confident	15 Å²	15	33 Å²	33	9%	0.092	17%	0.17	C	C	.	.	H	α-helix	trans	-85.3	-7.4	175.7	60.9	0	0	0	0	112.6	Y823 F824 L827 L868 V869 T870	Y823-T872 VanDerWaalsContact O-CG2 3.25Å; Y823-T872 WeakPolarHBondContact O-CG2 3.32Å; F824-T872 WeakPolarHBondContact CE1-OG1 3.12Å; F824-T872 WeakPolarHBondContact CZ-OG1 3.38Å; L827-T872 HydrophobicContact CB-CG2 4.39Å; L827-T872 HydrophobicContact CD2-CG2 3.88Å; L868-T872 PolarHBondContact O-N 2.95Å; V869-T872 PolarHBondContact O-N 3.31Å; V869-T872 PolarHBondContact O-OG1 3.07Å; T870-T872 VanDerWaalsContact C-N 3.34Å; T870-T872 PolarHBondContact O-N 3.27Å
873	M	89.6	Confident	89.3	Confident	22 Å²	22	32.6 Å²	32.6	11%	0.108	17%	0.17	C	C	.	.	S	Bend	trans	-70.9	157.8	173.5	-65.2	-55	99.2	0	0	111.7	L752 L754 P819 F824 L846 V869 T870 R871 Y894	L752-M873 HydrophobicContact CD1-SD 4.18Å; L754-M873 HydrophobicContact CD1-CG 3.78Å; P819-M873 HydrophobicContact CB-CE 4.2Å; P819-M873 HydrophobicContact CB-SD 4.45Å; P819-M873 HydrophobicContact CG-CE 3.97Å; P819-M873 HydrophobicContact CG-SD 4.11Å; F824-M873 HydrophobicContact CE1-CE 4.06Å; F824-M873 HydrophobicContact CE2-CE 3.65Å; F824-M873 HydrophobicContact CZ-CE 3.12Å; L846-M873 HydrophobicContact CD2-CE 4.2Å; V869-M873 HydrophobicContact CG1-CE 3.76Å; V869-M873 WeakPolarHBondContact O-CE 3.41Å; V869-M873 PolarHBondContact O-N 3.38Å; T870-M873 WeakPolarHBondContact O-CB 3.45Å; T870-M873 PolarHBondContact O-N 3.24Å; R871-M873 VanDerWaalsContact C-N 3.31Å; M873-Y894 HydrophobicContact SD-CE1 4.32Å
874	T	89.1	Confident	88.9	Confident	39 Å²	39	35.5 Å²	35.5	24%	0.239	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-83.9	164	166.6	64.6	0	0	0	0	110.2	H816 P817	H816-T874 PolarHBondContact CD2-O 3.4Å; H816-T874 PolarHBondContact CD2-OG1 3.5Å; H816-T874 PolarHBondContact NE2-O 3.43Å; P817-T874 PolarHBondContact O-OG1 3.24Å
875	N	91.2	Very high	88.5	Confident	97 Å²	97	40.8 Å²	40.8	52%	0.519	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-78	144.8	174.6	-67.4	-23.7	0	0	0	110.7
876	A	94.4	Very high	88.3	Confident	21 Å²	21	42 Å²	42	17%	0.174	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-74.7	142.2	167.5	0	0	0	0	0	110.6	R814 R815 H816	R814-A876 HydrophobicContact CG-CB 4.36Å; R815-A876 CarbonylContact O-C 3.57Å; R815-A876 WeakPolarHBondContact O-CA 3.25Å; R815-A876 WeakPolarHBondContact O-CB 3.29Å; H816-A876 HydrophobicContact CB-CB 4.11Å
877	L	96.4	Very high	88.3	Confident	67 Å²	67	43.6 Å²	43.6	35%	0.351	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	138	-170.5	-61.1	169.9	0	0	0	111	R814 R815 N969	R814-L877 CarbonylContact C-O 3.32Å; R814-L877 WeakPolarHBondContact CA-O 3.49Å; R815-L877 PolarHBondContact N-O 3.24Å; R815-L877 PolarHBondContact O-N 2.9Å; L877-N969 WeakPolarHBondContact CA-OD1 3.23Å; L877-N969 HydrophobicContact CD2-CB 4.37Å
878	Y	97.8	Very high	88.3	Confident	11 Å²	11	49 Å²	49	4%	0.043	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	142.6	164.6	-59.3	-71.5	0	0	0	110.3	L813 R814 H903 A912 M968 N969	L813-Y878 CarbonylContact O-C 3.59Å; L813-Y878 VanDerWaalsContact O-CA 3.3Å; L813-Y878 WeakPolarHBondContact O-CA 3.23Å; R814-Y878 HydrophobicContact CB-CD1 4.13Å; R814-Y878 HydrophobicContact CB-CE1 4.35Å; R814-Y878 HydrophobicContact CG-CD1 4.22Å; R814-Y878 HydrophobicContact CG-CE1 4.33Å; Y878-H903 HydrophobicContact CE1-CB 4.43Å; Y878-H903 AromaticContact CE1-ND1 3.49Å; Y878-H903 WeakPolarHBondContact CE1-ND1 3.32Å; Y878-H903 AromaticContact CZ-ND1 3.56Å; Y878-H903 PolarHBondContact OH-CE1 3.19Å; Y878-H903 PolarHBondContact OH-ND1 2.9Å; Y878-A912 HydrophobicContact CD1-CB 4.02Å; Y878-A912 HydrophobicContact CE1-CB 3.49Å; Y878-A912 VanDerWaalsContact CE1-CB 3.49Å; Y878-M968 HydrophobicContact CD1-CE 4.41Å; Y878-M968 HydrophobicContact CD2-CB 3.79Å; Y878-M968 HydrophobicContact CD2-CE 4.42Å; Y878-M968 HydrophobicContact CE2-CB 4.18Å; Y878-M968 HydrophobicContact CG-CB 4.49Å; Y878-M968 HydrophobicContact CG-CE 4.07Å; Y878-N969 VanDerWaalsContact CD2-OD1 3.3Å; Y878-N969 WeakPolarHBondContact CD2-OD1 3.31Å; Y878-N969 PolarHBondContact N-OD1 2.88Å; Y878-N969 PolarHBondContact O-ND2 3.02Å
879	F	96.1	Very high	88.4	Confident	11 Å²	11	54.4 Å²	54.4	5%	0.048	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	156.1	174.6	74.4	-76.4	0	0	0	111.4	L813 R815 T881 M886 F891 C965	L813-F879 HydrophobicContact CB-CD1 4.12Å; L813-F879 HydrophobicContact CB-CE1 3.44Å; L813-F879 VanDerWaalsContact CB-CE1 3.44Å; L813-F879 HydrophobicContact CB-CE2 4.36Å; L813-F879 HydrophobicContact CB-CZ 3.59Å; L813-F879 HydrophobicContact CD1-CE1 4.45Å; L813-F879 HydrophobicContact CD1-CE2 4.44Å; L813-F879 HydrophobicContact CD1-CZ 3.81Å; L813-F879 HydrophobicContact CG-CZ 4.29Å; L813-F879 PolarHBondContact N-O 2.89Å; L813-F879 WeakPolarHBondContact O-CD1 3.31Å; L813-F879 PolarHBondContact O-N 3.17Å; R815-F879 HydrophobicContact CB-CD1 3.95Å; R815-F879 HydrophobicContact CB-CE1 3.6Å; R815-F879 HydrophobicContact CG-CD1 3.72Å; R815-F879 HydrophobicContact CG-CE1 3.91Å; F879-T881 HydrophobicContact CE2-CG2 4.2Å; F879-M886 HydrophobicContact CB-CE 4.26Å; F879-M886 HydrophobicContact CD2-CE 4.28Å; F879-M886 HydrophobicContact CD2-CG 3.84Å; F879-M886 HydrophobicContact CE2-CG 3.96Å; F879-M886 HydrophobicContact CG-CE 4.41Å; F879-F891 HydrophobicContact CD2-CD1 4.49Å; F879-F891 AromaticContact CE2-CD1 3.34Å; F879-F891 HydrophobicContact CE2-CD1 3.34Å; F879-F891 AromaticContact CE2-CE1 3.54Å; F879-F891 HydrophobicContact CE2-CE1 3.54Å; F879-F891 AromaticContact CE2-CG 3.9Å; F879-F891 HydrophobicContact CE2-CG 3.9Å; F879-F891 HydrophobicContact CE2-CZ 4.2Å; F879-F891 HydrophobicContact CZ-CB 3.85Å; F879-F891 AromaticContact CZ-CD1 3.55Å; F879-F891 HydrophobicContact CZ-CD1 3.55Å; F879-F891 HydrophobicContact CZ-CD2 4.42Å; F879-F891 HydrophobicContact CZ-CE1 4.2Å; F879-F891 AromaticContact CZ-CG 3.68Å; F879-F891 HydrophobicContact CZ-CG 3.68Å; F879-C965 VanDerWaalsContact C-SG 3.53Å
880	S	95	Very high	88.5	Confident	1 Å²	1	58 Å²	58	1%	0.007	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	134.4	169.5	175.3	0	0	0	0	109.7	A811 G882 S883	A811-S880 WeakPolarHBondContact O-CA 3.35Å; S880-G882 PolarHBondContact O-N 3.09Å; S880-G882 PolarHBondContact OG-N 3.46Å; S880-S883 VanDerWaalsContact O-CB 3.26Å; S880-S883 WeakPolarHBondContact O-CB 3.47Å; S880-S883 PolarHBondContact O-N 3.24Å; S880-S883 VanDerWaalsContact O-N 3.13Å
881	T	92.9	Very high	88.8	Confident	10 Å²	10	56 Å²	56	6%	0.061	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-23.2	178	56.4	0	0	0	0	113.9	V804 P808 R810 A811 L813 F879 S883 F891	V804-T881 HydrophobicContact CG2-CG2 4.27Å; P808-T881 WeakPolarHBondContact O-CB 3.42Å; P808-T881 PolarHBondContact O-OG1 2.64Å; R810-T881 PolarHBondContact N-OG1 3.28Å; A811-T881 HydrophobicContact CB-CG2 3.89Å; A811-T881 PolarHBondContact N-OG1 2.77Å; A811-T881 PolarHBondContact O-N 2.87Å; L813-T881 HydrophobicContact CD1-CG2 3.44Å; L813-T881 VanDerWaalsContact CD1-CG2 3.44Å; L813-T881 HydrophobicContact CG-CG2 3.83Å; F879-T881 HydrophobicContact CE2-CG2 4.2Å; T881-S883 VanDerWaalsContact C-N 3.33Å; T881-F891 HydrophobicContact CG2-CD2 4.33Å; T881-F891 HydrophobicContact CG2-CE2 3.72Å; T881-F891 HydrophobicContact CG2-CZ 3.94Å
882	G	87.3	Confident	89.4	Confident	26 Å²	26	51.5 Å²	51.5	27%	0.268	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	4.1	174	0	0	0	0	0	115.2	D809 S880 S884 S958	D809-G882 WeakPolarHBondContact O-CA 3.32Å; D809-G882 PolarHBondContact O-N 3.29Å; D809-G882 VanDerWaalsContact O-N 3.12Å; S880-G882 PolarHBondContact O-N 3.09Å; S880-G882 PolarHBondContact OG-N 3.46Å; G882-S884 PolarHBondContact O-N 2.8Å; G882-S958 WeakPolarHBondContact CA-OG 3.32Å; G882-S958 PolarHBondContact O-OG 2.96Å
883	S	85.8	Confident	89.8	Confident	21 Å²	21	51.5 Å²	51.5	15%	0.147	29%	0.294	C	S	.	.			trans	-62.3	129.1	179.4	-171.6	0	0	0	0	110.5	S880 T881 N885 M886	S880-S883 VanDerWaalsContact O-CB 3.26Å; S880-S883 WeakPolarHBondContact O-CB 3.47Å; S880-S883 PolarHBondContact O-N 3.24Å; S880-S883 VanDerWaalsContact O-N 3.13Å; T881-S883 VanDerWaalsContact C-N 3.33Å; S883-N885 WeakPolarHBondContact CB-OD1 3.25Å; S883-N885 PolarHBondContact O-N 2.94Å; S883-N885 PolarHBondContact OG-OD1 3.01Å; S883-M886 PolarHBondContact O-N 3.29Å
884	S	74.7	Confident	90.1	Very high	134 Å²	134	51.9 Å²	51.9	94%	0.937	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-17	-174	56.6	0	0	0	0	115	G882	G882-S884 PolarHBondContact O-N 2.8Å
885	N	76.3	Confident	90.3	Very high	112 Å²	112	50.4 Å²	50.4	60%	0.599	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	6.3	179	64.8	-2.6	0	0	0	114	S883	S883-N885 WeakPolarHBondContact CB-OD1 3.25Å; S883-N885 PolarHBondContact O-N 2.94Å; S883-N885 PolarHBondContact OG-OD1 3.01Å
886	M	82.2	Confident	90.5	Very high	27 Å²	27	47 Å²	47	13%	0.133	27%	0.268	C	S	.	.			trans	-121.3	135.4	-172.8	-149.3	65.4	62.4	0	0	112.3	R815 F879 S883 Q890 F891	R815-M886 PolarHBondContact NH1-SD 3.18Å; F879-M886 HydrophobicContact CB-CE 4.26Å; F879-M886 HydrophobicContact CD2-CE 4.28Å; F879-M886 HydrophobicContact CD2-CG 3.84Å; F879-M886 HydrophobicContact CE2-CG 3.96Å; F879-M886 HydrophobicContact CG-CE 4.41Å; S883-M886 PolarHBondContact O-N 3.29Å; M886-Q890 HydrophobicContact SD-CB 3.9Å; M886-Q890 PolarHBondContact SD-OE1 3.18Å; M886-Q890 VanDerWaalsContact SD-OE1 3.34Å; M886-F891 HydrophobicContact CB-CE1 4.21Å; M886-F891 HydrophobicContact CG-CD1 3.88Å; M886-F891 HydrophobicContact CG-CE1 3.58Å
887	T	86.7	Confident	90.5	Very high	68 Å²	68	46.8 Å²	46.8	42%	0.417	27%	0.267	S	S	.	.			trans	-116.3	156.1	172.3	54	0	0	0	0	109.9	D889 Q890 F891	T887-D889 WeakPolarHBondContact CB-OD1 3.29Å; T887-D889 PolarHBondContact O-N 3.33Å; T887-D889 PolarHBondContact OG1-OD1 3.21Å; T887-Q890 WeakPolarHBondContact O-CB 3.39Å; T887-Q890 PolarHBondContact O-N 2.9Å; T887-Q890 WeakPolarHBondContact OG1-CG 3.43Å; T887-Q890 PolarHBondContact OG1-NE2 3.36Å; T887-F891 VanDerWaalsContact O-CD1 3.24Å; T887-F891 WeakPolarHBondContact O-CD1 3.47Å; T887-F891 WeakPolarHBondContact O-CE1 3.25Å
888	Q	85.9	Confident	90.5	Very high	148 Å²	148	44.6 Å²	44.6	69%	0.692	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-60.8	-31	-171.2	-170.3	176.9	4.1	0	0	113.7	Q890 F891	Q888-Q890 PolarHBondContact O-N 2.88Å; Q888-F891 HydrophobicContact CB-CE2 4.36Å; Q888-F891 HydrophobicContact CG-CD2 4.08Å; Q888-F891 HydrophobicContact CG-CE2 4.15Å; Q888-F891 WeakPolarHBondContact O-CB 3.38Å; Q888-F891 WeakPolarHBondContact O-CG 3.32Å; Q888-F891 PolarHBondContact O-N 3.03Å
889	D	88.1	Confident	90.3	Very high	122 Å²	122	50.1 Å²	50.1	65%	0.652	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-62.3	-22.4	174	58.3	-61.9	0	0	0	113.1	T887	T887-D889 WeakPolarHBondContact CB-OD1 3.29Å; T887-D889 PolarHBondContact O-N 3.33Å; T887-D889 PolarHBondContact OG1-OD1 3.21Å
890	Q	91	Very high	90.4	Very high	75 Å²	75	50.9 Å²	50.9	35%	0.35	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-93.3	2.6	-179.4	-55.5	-176.2	13.3	0	0	114.1	R815 M886 T887 Q888 S892	R815-Q890 VanDerWaalsContact CD-O 3.23Å; R815-Q890 WeakPolarHBondContact CD-O 3.2Å; R815-Q890 PolarHBondContact NH1-O 2.84Å; M886-Q890 HydrophobicContact SD-CB 3.9Å; M886-Q890 PolarHBondContact SD-OE1 3.18Å; M886-Q890 VanDerWaalsContact SD-OE1 3.34Å; T887-Q890 WeakPolarHBondContact O-CB 3.39Å; T887-Q890 PolarHBondContact O-N 2.9Å; T887-Q890 WeakPolarHBondContact OG1-CG 3.43Å; T887-Q890 PolarHBondContact OG1-NE2 3.36Å; Q888-Q890 PolarHBondContact O-N 2.88Å; Q890-S892 VanDerWaalsContact C-N 3.27Å
891	F	94.4	Very high	90.6	Very high	12 Å²	12	51.8 Å²	51.8	5%	0.053	29%	0.294	C	S	.	.			trans	-77.6	-17.5	-179	-67.4	4.3	0	0	0	112.6	L813 F879 T881 M886 T887 Q888 N899 L900	L813-F891 HydrophobicContact CD1-CD2 4.2Å; F879-F891 HydrophobicContact CD2-CD1 4.49Å; F879-F891 AromaticContact CE2-CD1 3.34Å; F879-F891 HydrophobicContact CE2-CD1 3.34Å; F879-F891 AromaticContact CE2-CE1 3.54Å; F879-F891 HydrophobicContact CE2-CE1 3.54Å; F879-F891 AromaticContact CE2-CG 3.9Å; F879-F891 HydrophobicContact CE2-CG 3.9Å; F879-F891 HydrophobicContact CE2-CZ 4.2Å; F879-F891 HydrophobicContact CZ-CB 3.85Å; F879-F891 AromaticContact CZ-CD1 3.55Å; F879-F891 HydrophobicContact CZ-CD1 3.55Å; F879-F891 HydrophobicContact CZ-CD2 4.42Å; F879-F891 HydrophobicContact CZ-CE1 4.2Å; F879-F891 AromaticContact CZ-CG 3.68Å; F879-F891 HydrophobicContact CZ-CG 3.68Å; T881-F891 HydrophobicContact CG2-CD2 4.33Å; T881-F891 HydrophobicContact CG2-CE2 3.72Å; T881-F891 HydrophobicContact CG2-CZ 3.94Å; M886-F891 HydrophobicContact CB-CE1 4.21Å; M886-F891 HydrophobicContact CG-CD1 3.88Å; M886-F891 HydrophobicContact CG-CE1 3.58Å; T887-F891 VanDerWaalsContact O-CD1 3.24Å; T887-F891 WeakPolarHBondContact O-CD1 3.47Å; T887-F891 WeakPolarHBondContact O-CE1 3.25Å; Q888-F891 HydrophobicContact CB-CE2 4.36Å; Q888-F891 HydrophobicContact CG-CD2 4.08Å; Q888-F891 HydrophobicContact CG-CE2 4.15Å; Q888-F891 WeakPolarHBondContact O-CB 3.38Å; Q888-F891 WeakPolarHBondContact O-CG 3.32Å; Q888-F891 PolarHBondContact O-N 3.03Å; F891-N899 CarbonylContact C-O 3.6Å; F891-L900 HydrophobicContact CB-CD2 4.1Å; F891-L900 HydrophobicContact CD2-CD2 3.87Å
892	S	94.9	Very high	90.8	Very high	42 Å²	42	51.4 Å²	51.4	29%	0.294	29%	0.291	S	S	.	.			trans	-62.9	152.5	-173.1	61.8	0	0	0	0	113.5	H816 Q890 L898	H816-S892 PolarHBondContact N-O 3.01Å; Q890-S892 VanDerWaalsContact C-N 3.27Å; S892-L898 CarbonylContact C-O 3.6Å; S892-L898 WeakPolarHBondContact CA-O 3.45Å
893	H	96.5	Very high	91.4	Very high	16 Å²	16	50.6 Å²	50.6	7%	0.074	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-106.9	95.8	175.2	-165	-66.9	0	0	0	109.6	H816 G895 L896 A897 L898 Y901	H816-H893 HydrophobicContact CB-CB 4.47Å; H816-H893 VanDerWaalsContact CB-CE1 3.42Å; H816-H893 WeakPolarHBondContact CB-CE1 3.39Å; H816-H893 AromaticContact ND1-CE1 3.83Å; H893-G895 VanDerWaalsContact C-N 3.35Å; H893-G895 PolarHBondContact O-N 2.83Å; H893-L896 HydrophobicContact CB-CB 4.3Å; H893-L896 WeakPolarHBondContact ND1-CB 3.29Å; H893-L896 WeakPolarHBondContact ND1-CG 3.26Å; H893-L896 PolarHBondContact ND1-N 3.5Å; H893-L896 PolarHBondContact O-N 3.37Å; H893-L896 VanDerWaalsContact O-N 3.08Å; H893-A897 PolarHBondContact O-N 3.31Å; H893-L898 PolarHBondContact N-O 3.32Å; H893-L898 PolarHBondContact O-N 2.98Å; H893-Y901 AromaticContact CD2-CD1 3.81Å
894	Y	95.2	Very high	92	Very high	29 Å²	29	49.6 Å²	49.6	11%	0.114	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-49.8	-51.1	-174.5	-179.2	-97	0	0	0	112.9	L752 H816 P818 P819 N843 M873 L896 A897	L752-Y894 HydrophobicContact CD1-CD1 4.07Å; L752-Y894 HydrophobicContact CD1-CE1 3.74Å; H816-Y894 WeakPolarHBondContact O-CB 3.41Å; H816-Y894 PolarHBondContact O-N 3.39Å; P818-Y894 HydrophobicContact CB-CD2 3.7Å; P818-Y894 HydrophobicContact CB-CE2 3.91Å; P818-Y894 HydrophobicContact CB-CG 4.31Å; P819-Y894 HydrophobicContact CG-CE1 3.97Å; N843-Y894 WeakPolarHBondContact CA-OH 3.48Å; N843-Y894 HydrophobicContact CB-CD1 4.36Å; N843-Y894 HydrophobicContact CB-CD2 4.12Å; N843-Y894 HydrophobicContact CB-CE1 3.94Å; N843-Y894 HydrophobicContact CB-CE2 3.7Å; N843-Y894 HydrophobicContact CB-CG 4.44Å; N843-Y894 PolarHBondContact N-OH 3.26Å; N843-Y894 PolarHBondContact ND2-O 2.75Å; N843-Y894 VanDerWaalsContact ND2-O 3.1Å; M873-Y894 HydrophobicContact SD-CE1 4.32Å; Y894-L896 VanDerWaalsContact C-N 3.32Å; Y894-L896 PolarHBondContact O-N 3.36Å; Y894-A897 PolarHBondContact O-N 3.1Å
895	G	93.5	Very high	93.1	Very high	9 Å²	9	43.5 Å²	43.5	9%	0.093	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-69.5	-23.4	-177.1	0	0	0	0	0	115	L752 H816 H893	L752-G895 PolarHBondContact N-O 2.89Å; H816-G895 PolarHBondContact ND1-N 2.94Å; H816-G895 VanDerWaalsContact ND1-N 3.2Å; H893-G895 VanDerWaalsContact C-N 3.35Å; H893-G895 PolarHBondContact O-N 2.83Å
896	L	95	Very high	94.1	Very high	25 Å²	25	38.3 Å²	38.3	13%	0.131	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-99.2	-9	179.2	-68.5	177.2	0	0	0	112	R746 I793 H893 Y894 L898 Y901	R746-L896 VanDerWaalsContact CD-O 3.29Å; R746-L896 WeakPolarHBondContact CD-O 3.11Å; R746-L896 WeakPolarHBondContact CG-O 3.48Å; I793-L896 HydrophobicContact CD1-CD2 3.78Å; I793-L896 HydrophobicContact CG1-CD1 4.49Å; I793-L896 HydrophobicContact CG1-CD2 4.3Å; I793-L896 HydrophobicContact CG2-CD1 4.45Å; H893-L896 HydrophobicContact CB-CB 4.3Å; H893-L896 WeakPolarHBondContact ND1-CB 3.29Å; H893-L896 WeakPolarHBondContact ND1-CG 3.26Å; H893-L896 PolarHBondContact ND1-N 3.5Å; H893-L896 PolarHBondContact O-N 3.37Å; H893-L896 VanDerWaalsContact O-N 3.08Å; Y894-L896 VanDerWaalsContact C-N 3.32Å; Y894-L896 PolarHBondContact O-N 3.36Å; L896-L898 VanDerWaalsContact C-N 3.26Å; L896-L898 HydrophobicContact CB-CD1 4.08Å; L896-L898 HydrophobicContact CB-CG 4.13Å; L896-L898 HydrophobicContact CD1-CD1 4.45Å; L896-L898 PolarHBondContact O-N 3.33Å; L896-Y901 HydrophobicContact CD1-CD1 4.08Å; L896-Y901 HydrophobicContact CD1-CD2 3.81Å; L896-Y901 HydrophobicContact CD1-CE1 3.87Å; L896-Y901 HydrophobicContact CD1-CE2 3.57Å; L896-Y901 HydrophobicContact CD1-CG 4.05Å
897	A	95.5	Very high	94.9	Very high	17 Å²	17	37 Å²	37	14%	0.14	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	41.8	-171.7	0	0	0	0	0	113.5	K749 G751 H893 Y894	K749-A897 HydrophobicContact CB-CB 4.09Å; K749-A897 WeakPolarHBondContact O-CB 3.45Å; G751-A897 VanDerWaalsContact N-CB 3.31Å; H893-A897 PolarHBondContact O-N 3.31Å; Y894-A897 PolarHBondContact O-N 3.1Å
898	L	96.1	Very high	95.5	Very high	21 Å²	21	33.8 Å²	33.8	11%	0.11	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-118.3	137.9	178.1	-64.6	175.1	0	0	0	110.8	I793 H797 S892 H893 L896 Y901	I793-L898 HydrophobicContact CG2-CD1 3.67Å; H797-L898 HydrophobicContact CB-CD1 4.06Å; S892-L898 CarbonylContact C-O 3.6Å; S892-L898 WeakPolarHBondContact CA-O 3.45Å; H893-L898 PolarHBondContact N-O 3.32Å; H893-L898 PolarHBondContact O-N 2.98Å; L896-L898 VanDerWaalsContact C-N 3.26Å; L896-L898 HydrophobicContact CB-CD1 4.08Å; L896-L898 HydrophobicContact CB-CG 4.13Å; L896-L898 HydrophobicContact CD1-CD1 4.45Å; L896-L898 PolarHBondContact O-N 3.33Å; L898-Y901 HydrophobicContact CD1-CD2 3.89Å
899	N	94	Very high	96	Very high	126 Å²	126	30.4 Å²	30.4	67%	0.674	16%	0.158	S	C	*	.	S	Bend	trans	-74.9	-31.3	178.9	-66.7	-13.8	0	0	0	112.8	F891	F891-N899 CarbonylContact C-O 3.6Å
900	L	97.4	Very high	96.5	Very high	28 Å²	28	26.1 Å²	26.1	15%	0.147	13%	0.132	C	C	.	.	S	Bend	trans	-134.6	131	179.2	-65.2	177.3	0	0	0	108.6	H797 A800 R801 V804 L813 F891	H797-L900 PolarHBondContact ND1-O 3.09Å; A800-L900 HydrophobicContact CB-CB 4.07Å; R801-L900 HydrophobicContact CG-CB 4.47Å; R801-L900 HydrophobicContact CG-CD1 4.05Å; V804-L900 HydrophobicContact CB-CD1 4.17Å; V804-L900 HydrophobicContact CG1-CD1 4.31Å; V804-L900 HydrophobicContact CG2-CD1 4.22Å; V804-L900 HydrophobicContact CG2-CD2 4.13Å; L813-L900 HydrophobicContact CD1-CD2 3.85Å; F891-L900 HydrophobicContact CB-CD2 4.1Å; F891-L900 HydrophobicContact CD2-CD2 3.87Å
901	Y	98.5	Very high	96.8	Very high	20 Å²	20	22.5 Å²	22.5	8%	0.078	12%	0.115	C	C	.	.			trans	-149.5	143.6	179.1	-174.2	-105.3	0	0	0	109.3	I793 N796 L813 R814 H893 L896 L898 H903	I793-Y901 HydrophobicContact CB-CE2 4.5Å; I793-Y901 HydrophobicContact CG1-CE2 4.45Å; I793-Y901 HydrophobicContact CG2-CE2 4.24Å; N796-Y901 HydrophobicContact CB-CD2 3.97Å; N796-Y901 HydrophobicContact CB-CE2 3.46Å; N796-Y901 VanDerWaalsContact CB-CE2 3.46Å; L813-Y901 WeakPolarHBondContact CB-O 3.27Å; R814-Y901 HydrophobicContact CB-CD1 4.14Å; R814-Y901 PolarHBondContact N-O 2.68Å; H893-Y901 AromaticContact CD2-CD1 3.81Å; L896-Y901 HydrophobicContact CD1-CD1 4.08Å; L896-Y901 HydrophobicContact CD1-CD2 3.81Å; L896-Y901 HydrophobicContact CD1-CE1 3.87Å; L896-Y901 HydrophobicContact CD1-CE2 3.57Å; L896-Y901 HydrophobicContact CD1-CG 4.05Å; L898-Y901 HydrophobicContact CD1-CD2 3.89Å; Y901-H903 AromaticContact CE1-CD2 3.7Å; Y901-H903 AromaticContact CE1-NE2 3.92Å
902	T	98.5	Very high	97	Very high	1 Å²	1	22 Å²	22	1%	0.006	11%	0.113	C	C	.	.			trans	-141.4	178.8	175.4	-163.7	0	0	0	0	109.6	N796 V799 A800 C812 V916	N796-T902 WeakPolarHBondContact CB-O 3.49Å; N796-T902 PolarHBondContact OD1-O 3.05Å; V799-T902 HydrophobicContact CB-CG2 4.49Å; V799-T902 HydrophobicContact CG1-CG2 4.24Å; A800-T902 HydrophobicContact CB-CG2 3.87Å; C812-T902 PolarHBondContact O-OG1 3.13Å; T902-V916 HydrophobicContact CG2-CG1 3.78Å; T902-V916 HydrophobicContact CG2-CG2 4.25Å; T902-V916 WeakPolarHBondContact OG1-CG2 2.91Å
903	H	98.6	Very high	97.2	Very high	10 Å²	10	20 Å²	20	5%	0.046	10%	0.099	C	C	.	.			trans	-111.7	118.9	166.4	-71.3	176.8	0	0	0	109.3	R814 Y878 Y901 D913 V916	R814-H903 VanDerWaalsContact CD-CE1 3.41Å; R814-H903 WeakPolarHBondContact CD-CE1 3.34Å; R814-H903 VanDerWaalsContact CD-NE2 3.25Å; R814-H903 WeakPolarHBondContact CD-NE2 3.35Å; R814-H903 VanDerWaalsContact CZ-CE1 3.47Å; R814-H903 PolarHBondContact NH1-CE1 3.47Å; R814-H903 PolarHBondContact NH1-NE2 3.28Å; Y878-H903 HydrophobicContact CE1-CB 4.43Å; Y878-H903 AromaticContact CE1-ND1 3.49Å; Y878-H903 WeakPolarHBondContact CE1-ND1 3.32Å; Y878-H903 AromaticContact CZ-ND1 3.56Å; Y878-H903 PolarHBondContact OH-CE1 3.19Å; Y878-H903 PolarHBondContact OH-ND1 2.9Å; Y901-H903 AromaticContact CE1-CD2 3.7Å; Y901-H903 AromaticContact CE1-NE2 3.92Å; H903-D913 VanDerWaalsContact C-CG 3.49Å; H903-D913 VanDerWaalsContact C-OD1 3.27Å; H903-D913 VanDerWaalsContact CB-OD2 3.28Å; H903-D913 WeakPolarHBondContact CB-OD2 3.4Å; H903-D913 WeakPolarHBondContact O-CA 3.41Å; H903-V916 WeakPolarHBondContact O-CB 3.5Å; H903-V916 WeakPolarHBondContact O-CG2 2.94Å
904	F	98.5	Very high	97.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.096	C	C	.	.			trans	-124.4	-23.8	179.8	161.1	-102.7	0	0	0	111.4	I586 V640 V642 N796 V799 D913 V916 H917 L920	I586-F904 HydrophobicContact CB-CE1 4.13Å; I586-F904 HydrophobicContact CB-CZ 4.11Å; I586-F904 HydrophobicContact CD1-CE1 4.47Å; I586-F904 HydrophobicContact CG1-CD1 3.87Å; I586-F904 HydrophobicContact CG1-CE1 3.3Å; I586-F904 HydrophobicContact CG1-CZ 3.78Å; I586-F904 WeakPolarHBondContact CG2-O 3.48Å; V640-F904 HydrophobicContact CB-CE2 4.19Å; V640-F904 HydrophobicContact CB-CZ 4.23Å; V640-F904 HydrophobicContact CG1-CE2 3.77Å; V640-F904 HydrophobicContact CG1-CZ 3.95Å; V642-F904 HydrophobicContact CG2-CE1 3.84Å; V642-F904 HydrophobicContact CG2-CZ 4.09Å; N796-F904 WeakPolarHBondContact OD1-CB 3.38Å; N796-F904 PolarHBondContact OD1-N 3.37Å; V799-F904 HydrophobicContact CB-CB 4.29Å; V799-F904 HydrophobicContact CB-CG 4.26Å; V799-F904 HydrophobicContact CG1-CB 4.07Å; V799-F904 HydrophobicContact CG1-CD2 4.03Å; V799-F904 HydrophobicContact CG1-CG 4.08Å; V799-F904 HydrophobicContact CG2-CB 4.41Å; V799-F904 HydrophobicContact CG2-CD1 3.85Å; V799-F904 HydrophobicContact CG2-CD2 4.15Å; V799-F904 HydrophobicContact CG2-CE1 4.12Å; V799-F904 HydrophobicContact CG2-CE2 4.43Å; V799-F904 HydrophobicContact CG2-CG 3.88Å; V799-F904 HydrophobicContact CG2-CZ 4.42Å; F904-D913 WeakPolarHBondContact CA-OD1 3.49Å; F904-D913 PolarHBondContact N-OD1 3.22Å; F904-V916 HydrophobicContact CB-CG1 3.93Å; F904-V916 HydrophobicContact CD2-CG1 4.3Å; F904-H917 AromaticContact CD2-CD2 3.24Å; F904-H917 WeakPolarHBondContact CD2-CD2 3.47Å; F904-H917 AromaticContact CD2-NE2 3.33Å; F904-H917 VanDerWaalsContact CD2-NE2 3.33Å; F904-H917 WeakPolarHBondContact CD2-NE2 3.2Å; F904-H917 AromaticContact CE2-CD2 3.44Å; F904-H917 VanDerWaalsContact CE2-CD2 3.44Å; F904-H917 WeakPolarHBondContact CE2-CD2 3.49Å; F904-H917 AromaticContact CE2-CE1 3.96Å; F904-H917 AromaticContact CE2-NE2 3.28Å; F904-H917 VanDerWaalsContact CE2-NE2 3.28Å; F904-H917 WeakPolarHBondContact CE2-NE2 3.46Å; F904-H917 PolarHBondContact O-NE2 2.85Å; F904-L920 HydrophobicContact CD2-CD2 4.25Å; F904-L920 HydrophobicContact CE2-CD2 3.74Å; F904-L920 HydrophobicContact CZ-CD2 4.33Å
905	T	98.4	Very high	97.3	Very high	5 Å²	5	17.9 Å²	17.9	3%	0.031	9%	0.09	C	C	.	.	S	Bend	trans	-91.6	2.9	-161.7	58.9	0	0	0	0	116.1	I586 M792 A795 N796 D913	I586-T905 HydrophobicContact CD1-CG2 3.96Å; I586-T905 HydrophobicContact CG1-CG2 4.39Å; M792-T905 HydrophobicContact CB-CG2 4.14Å; M792-T905 HydrophobicContact CG-CG2 4.36Å; M792-T905 WeakPolarHBondContact SD-CB 3.19Å; M792-T905 HydrophobicContact SD-CG2 3.48Å; M792-T905 WeakPolarHBondContact SD-CG2 3.36Å; A795-T905 HydrophobicContact CB-CG2 3.96Å; N796-T905 PolarHBondContact ND2-OG1 3.31Å; T905-D913 PolarHBondContact N-OD1 3.08Å
906	S	98.1	Very high	97.5	Very high	3 Å²	3	17.5 Å²	17.5	2%	0.021	9%	0.086	C	C	.	.			trans	-144.8	58.9	178	-44.2	0	0	0	0	115.3	D558 I908 R909 R910 D913	D558-S906 VanDerWaalsContact OD1-CA 3.23Å; D558-S906 WeakPolarHBondContact OD1-CA 3.26Å; D558-S906 VanDerWaalsContact OD2-CB 3.26Å; D558-S906 WeakPolarHBondContact OD2-CB 3.4Å; S906-I908 VanDerWaalsContact C-N 3.28Å; S906-I908 PolarHBondContact O-N 3Å; S906-R909 PolarHBondContact O-N 2.59Å; S906-R909 PolarHBondContact OG-NH2 3.43Å; S906-R910 WeakPolarHBondContact O-CB 3.38Å; S906-R910 PolarHBondContact O-N 2.72Å; S906-R910 PolarHBondContact OG-NH1 3.43Å; S906-R910 PolarHBondContact OG-NH2 3.39Å; S906-D913 PolarHBondContact N-OD1 3.03Å
907	P	98.5	Very high	97.6	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-14	-175.1	33.5	-38.8	0	0	0	115.1	D558 I586 A587 V589 M619 R909 D913 I914	D558-P907 WeakPolarHBondContact OD1-CD 3.39Å; I586-P907 HydrophobicContact CG2-CG 3.69Å; A587-P907 HydrophobicContact CB-CG 4.36Å; A587-P907 WeakPolarHBondContact O-CG 3.44Å; V589-P907 HydrophobicContact CB-CB 3.99Å; V589-P907 HydrophobicContact CB-CG 4.32Å; V589-P907 HydrophobicContact CG2-CB 3.84Å; V589-P907 HydrophobicContact CG2-CG 3.79Å; M619-P907 WeakPolarHBondContact CE-O 3.03Å; P907-R909 PolarHBondContact O-N 3.26Å; P907-D913 HydrophobicContact CB-CB 3.86Å; P907-I914 HydrophobicContact CB-CG1 4.01Å
908	I	98.5	Very high	97.6	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.005	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-33.4	175.6	-63	172.9	0	0	0	110.5	D556 D558 A587 V589 L620 S625 C629 S906	D556-I908 HydrophobicContact CB-CB 4.31Å; D556-I908 HydrophobicContact CB-CD1 4.4Å; D556-I908 HydrophobicContact CB-CG2 3.64Å; D558-I908 WeakPolarHBondContact OD1-CB 3.33Å; D558-I908 VanDerWaalsContact OD1-CG1 3.27Å; D558-I908 WeakPolarHBondContact OD1-CG1 3.47Å; D558-I908 PolarHBondContact OD1-N 2.83Å; A587-I908 HydrophobicContact CB-CD1 4.08Å; A587-I908 HydrophobicContact CB-CG1 4.13Å; V589-I908 HydrophobicContact CG2-CG1 3.88Å; L620-I908 WeakPolarHBondContact CD1-O 3.4Å; S625-I908 VanDerWaalsContact CA-CG2 3.5Å; C629-I908 HydrophobicContact CB-CD1 4.21Å; C629-I908 HydrophobicContact CB-CG1 4.02Å; S906-I908 VanDerWaalsContact C-N 3.28Å; S906-I908 PolarHBondContact O-N 3Å
909	R	97.4	Very high	97.5	Very high	77 Å²	77	14.6 Å²	14.6	29%	0.291	7%	0.069	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.2	-1.8	-169.9	61.1	-176.5	179.8	106.1	-1.9	114.8	D558 T608 S609 Y611 S906 P907	D558-R909 WeakPolarHBondContact OD2-CD 3.39Å; D558-R909 IonicContact OD2-NE 3.67Å; D558-R909 PolarHBondContact OD2-NE 3.07Å; T608-R909 CarbonylContact C-O 3.51Å; T608-R909 VanDerWaalsContact CA-O 3.26Å; T608-R909 WeakPolarHBondContact CA-O 3.32Å; T608-R909 PolarHBondContact OG1-O 3.45Å; S609-R909 PolarHBondContact N-O 3.01Å; S609-R909 WeakPolarHBondContact OG-CA 3.21Å; S609-R909 WeakPolarHBondContact OG-CB 3.2Å; Y611-R909 WeakPolarHBondContact OH-CB 3.5Å; Y611-R909 WeakPolarHBondContact OH-CD 3.35Å; S906-R909 PolarHBondContact O-N 2.59Å; S906-R909 PolarHBondContact OG-NH2 3.43Å; P907-R909 PolarHBondContact O-N 3.26Å
910	R	98	Very high	97.6	Very high	31 Å²	31	8.6 Å²	8.6	12%	0.117	4%	0.037	C	C	.	.	B	Isolated β-bridge	trans	-138.4	123.7	178	-65.2	-168.3	-57.2	-112.8	1.1	111.4	S906 A912 D913	S906-R910 WeakPolarHBondContact O-CB 3.38Å; S906-R910 PolarHBondContact O-N 2.72Å; S906-R910 PolarHBondContact OG-NH1 3.43Å; S906-R910 PolarHBondContact OG-NH2 3.39Å; R910-A912 VanDerWaalsContact C-N 3.32Å; R910-A912 PolarHBondContact O-N 3.46Å; R910-D913 WeakPolarHBondContact CB-OD2 3.47Å; R910-D913 IonicContact CZ-OD1 3.05Å; R910-D913 IonicContact CZ-OD2 3.46Å; R910-D913 IonicContact NE-OD1 3.82Å; R910-D913 PolarHBondContact NE-OD1 2.98Å; R910-D913 IonicContact NE-OD2 3.26Å; R910-D913 PolarHBondContact NE-OD2 2.96Å; R910-D913 IonicContact NH2-OD1 3.93Å; R910-D913 PolarHBondContact NH2-OD1 2.85Å; R910-D913 IonicContact NH2-OD2 2.96Å; R910-D913 PolarHBondContact O-N 2.95Å
911	Y	98.4	Very high	97.5	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-69.3	-31	-179.6	-173.8	-110	0	0	0	112.6	D600 A603 R604 S607 M619 D913 I914 I915 R918 I964 M968	D600-Y911 WeakPolarHBondContact OD1-CE2 3.44Å; D600-Y911 PolarHBondContact OD1-OH 2.98Å; A603-Y911 HydrophobicContact CB-CD2 3.81Å; A603-Y911 HydrophobicContact CB-CE2 4.22Å; R604-Y911 HydrophobicContact CB-CD1 4.23Å; R604-Y911 HydrophobicContact CB-CD2 4.45Å; R604-Y911 HydrophobicContact CB-CE1 3.7Å; R604-Y911 HydrophobicContact CB-CE2 3.96Å; R604-Y911 HydrophobicContact CG-CD1 4.38Å; R604-Y911 HydrophobicContact CG-CE1 3.74Å; S607-Y911 WeakPolarHBondContact O-CB 3.36Å; S607-Y911 PolarHBondContact O-N 3.01Å; M619-Y911 PolarHBondContact SD-N 3.43Å; Y911-D913 PolarHBondContact O-N 3.43Å; Y911-I914 HydrophobicContact CD2-CB 4.42Å; Y911-I914 HydrophobicContact CD2-CD1 4.16Å; Y911-I914 WeakPolarHBondContact O-CB 3.37Å; Y911-I914 PolarHBondContact O-N 3.35Å; Y911-I915 HydrophobicContact CD1-CD1 3.82Å; Y911-I915 HydrophobicContact CD1-CG1 4.11Å; Y911-I915 HydrophobicContact CE1-CD1 3.6Å; Y911-I915 HydrophobicContact CE1-CG1 3.74Å; Y911-I915 PolarHBondContact O-N 3.2Å; Y911-I915 VanDerWaalsContact O-N 3.11Å; Y911-R918 PolarHBondContact OH-NH1 3.38Å; Y911-I964 HydrophobicContact CD1-CG2 4.3Å; Y911-I964 HydrophobicContact CE1-CG2 4.05Å; Y911-M968 HydrophobicContact CD1-SD 4.09Å
912	A	98.1	Very high	97.1	Very high	1 Å²	1	6.3 Å²	6.3	1%	0.008	3%	0.026	C	C	.	.	H	α-helix	trans	-52.6	-42.5	174.7	0	0	0	0	0	111.5	Y878 R910 I914 I915 V916 M968	Y878-A912 HydrophobicContact CD1-CB 4.02Å; Y878-A912 HydrophobicContact CE1-CB 3.49Å; Y878-A912 VanDerWaalsContact CE1-CB 3.49Å; R910-A912 VanDerWaalsContact C-N 3.32Å; R910-A912 PolarHBondContact O-N 3.46Å; A912-I914 PolarHBondContact O-N 2.88Å; A912-I915 WeakPolarHBondContact O-CB 3.43Å; A912-I915 PolarHBondContact O-N 3.27Å; A912-V916 VanDerWaalsContact O-CG2 3.29Å; A912-V916 WeakPolarHBondContact O-CG2 3.36Å; A912-V916 PolarHBondContact O-N 3.33Å; A912-M968 HydrophobicContact CB-CE 4.05Å; A912-M968 HydrophobicContact CB-SD 3.69Å
913	D	98.7	Very high	96.8	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-66.7	-35.9	179.7	-55.4	-125.3	0	0	0	111.6	H903 F904 T905 S906 P907 R910 Y911 V916 H917	H903-D913 VanDerWaalsContact C-CG 3.49Å; H903-D913 VanDerWaalsContact C-OD1 3.27Å; H903-D913 VanDerWaalsContact CB-OD2 3.28Å; H903-D913 WeakPolarHBondContact CB-OD2 3.4Å; H903-D913 WeakPolarHBondContact O-CA 3.41Å; F904-D913 WeakPolarHBondContact CA-OD1 3.49Å; F904-D913 PolarHBondContact N-OD1 3.22Å; T905-D913 PolarHBondContact N-OD1 3.08Å; S906-D913 PolarHBondContact N-OD1 3.03Å; P907-D913 HydrophobicContact CB-CB 3.86Å; R910-D913 WeakPolarHBondContact CB-OD2 3.47Å; R910-D913 IonicContact CZ-OD1 3.05Å; R910-D913 IonicContact CZ-OD2 3.46Å; R910-D913 IonicContact NE-OD1 3.82Å; R910-D913 PolarHBondContact NE-OD1 2.98Å; R910-D913 IonicContact NE-OD2 3.26Å; R910-D913 PolarHBondContact NE-OD2 2.96Å; R910-D913 IonicContact NH2-OD1 3.93Å; R910-D913 PolarHBondContact NH2-OD1 2.85Å; R910-D913 IonicContact NH2-OD2 2.96Å; R910-D913 PolarHBondContact O-N 2.95Å; Y911-D913 PolarHBondContact O-N 3.43Å; D913-V916 PolarHBondContact O-N 3.44Å; D913-H917 WeakPolarHBondContact O-CB 3.24Å; D913-H917 PolarHBondContact O-CD2 2.96Å; D913-H917 PolarHBondContact O-N 2.96Å
914	I	97.7	Very high	96.4	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-63.5	-43.3	173.3	-59.4	177.6	0	0	0	111.1	V589 M619 P907 Y911 A912 V916 H917 R918	V589-I914 HydrophobicContact CB-CG1 4.41Å; V589-I914 HydrophobicContact CG1-CD1 3.67Å; V589-I914 HydrophobicContact CG1-CG1 3.99Å; M619-I914 HydrophobicContact CE-CD1 3.68Å; P907-I914 HydrophobicContact CB-CG1 4.01Å; Y911-I914 HydrophobicContact CD2-CB 4.42Å; Y911-I914 HydrophobicContact CD2-CD1 4.16Å; Y911-I914 WeakPolarHBondContact O-CB 3.37Å; Y911-I914 PolarHBondContact O-N 3.35Å; A912-I914 PolarHBondContact O-N 2.88Å; I914-V916 VanDerWaalsContact C-N 3.33Å; I914-V916 PolarHBondContact O-N 2.87Å; I914-H917 PolarHBondContact O-N 2.7Å; I914-R918 WeakPolarHBondContact O-CG 3.45Å; I914-R918 PolarHBondContact O-N 2.69Å
915	I	96.1	Very high	95.8	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-60.3	-46.1	175.2	-61.4	171.4	0	0	0	110.1	C812 Y911 A912 H917 R918 L919 F956 L961 I964 M968	C812-I915 HydrophobicContact CB-CG2 3.92Å; Y911-I915 HydrophobicContact CD1-CD1 3.82Å; Y911-I915 HydrophobicContact CD1-CG1 4.11Å; Y911-I915 HydrophobicContact CE1-CD1 3.6Å; Y911-I915 HydrophobicContact CE1-CG1 3.74Å; Y911-I915 PolarHBondContact O-N 3.2Å; Y911-I915 VanDerWaalsContact O-N 3.11Å; A912-I915 WeakPolarHBondContact O-CB 3.43Å; A912-I915 PolarHBondContact O-N 3.27Å; I915-H917 VanDerWaalsContact C-N 3.35Å; I915-H917 PolarHBondContact O-N 3.33Å; I915-R918 WeakPolarHBondContact O-CB 3.37Å; I915-R918 PolarHBondContact O-N 3.08Å; I915-L919 HydrophobicContact CG2-CD1 4Å; I915-L919 HydrophobicContact CG2-CG 4.36Å; I915-L919 WeakPolarHBondContact O-CG 3.4Å; I915-L919 PolarHBondContact O-N 3.1Å; I915-F956 HydrophobicContact CG1-CZ 4.43Å; I915-F956 HydrophobicContact CG2-CD2 4.38Å; I915-F956 HydrophobicContact CG2-CE2 3.9Å; I915-L961 HydrophobicContact CD1-CD1 4.31Å; I915-L961 HydrophobicContact CG2-CD1 4.01Å; I915-I964 HydrophobicContact CD1-CG2 3.68Å; I915-M968 HydrophobicContact CD1-CE 4.17Å; I915-M968 HydrophobicContact CD1-SD 4.22Å
916	V	97.6	Very high	95.1	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.006	7%	0.071	C	C	.	.	H	α-helix	trans	-66.3	-37.7	-179.1	172.6	0	0	0	0	111.4	V799 C812 T902 H903 F904 A912 D913 I914 L919 L920	V799-V916 HydrophobicContact CG1-CG1 3.49Å; V799-V916 VanDerWaalsContact CG1-CG1 3.49Å; C812-V916 HydrophobicContact CB-CG2 4.21Å; T902-V916 HydrophobicContact CG2-CG1 3.78Å; T902-V916 HydrophobicContact CG2-CG2 4.25Å; T902-V916 WeakPolarHBondContact OG1-CG2 2.91Å; H903-V916 WeakPolarHBondContact O-CB 3.5Å; H903-V916 WeakPolarHBondContact O-CG2 2.94Å; F904-V916 HydrophobicContact CB-CG1 3.93Å; F904-V916 HydrophobicContact CD2-CG1 4.3Å; A912-V916 VanDerWaalsContact O-CG2 3.29Å; A912-V916 WeakPolarHBondContact O-CG2 3.36Å; A912-V916 PolarHBondContact O-N 3.33Å; D913-V916 PolarHBondContact O-N 3.44Å; I914-V916 VanDerWaalsContact C-N 3.33Å; I914-V916 PolarHBondContact O-N 2.87Å; V916-L919 PolarHBondContact O-N 3.13Å; V916-L920 VanDerWaalsContact O-CB 3.25Å; V916-L920 WeakPolarHBondContact O-CB 3.22Å; V916-L920 PolarHBondContact O-N 3.5Å
917	H	97.5	Very high	94.2	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-58.2	-47.8	171.2	-81.6	-140.4	0	0	0	110.9	A587 V640 F904 D913 I914 I915 L919 L920 L921	A587-H917 PolarHBondContact O-CE1 2.87Å; A587-H917 VanDerWaalsContact O-CE1 3.29Å; V640-H917 WeakPolarHBondContact CG2-ND1 3.31Å; F904-H917 AromaticContact CD2-CD2 3.24Å; F904-H917 WeakPolarHBondContact CD2-CD2 3.47Å; F904-H917 AromaticContact CD2-NE2 3.33Å; F904-H917 VanDerWaalsContact CD2-NE2 3.33Å; F904-H917 WeakPolarHBondContact CD2-NE2 3.2Å; F904-H917 AromaticContact CE2-CD2 3.44Å; F904-H917 VanDerWaalsContact CE2-CD2 3.44Å; F904-H917 WeakPolarHBondContact CE2-CD2 3.49Å; F904-H917 AromaticContact CE2-CE1 3.96Å; F904-H917 AromaticContact CE2-NE2 3.28Å; F904-H917 VanDerWaalsContact CE2-NE2 3.28Å; F904-H917 WeakPolarHBondContact CE2-NE2 3.46Å; F904-H917 PolarHBondContact O-NE2 2.85Å; D913-H917 WeakPolarHBondContact O-CB 3.24Å; D913-H917 PolarHBondContact O-CD2 2.96Å; D913-H917 PolarHBondContact O-N 2.96Å; I914-H917 PolarHBondContact O-N 2.7Å; I915-H917 VanDerWaalsContact C-N 3.35Å; I915-H917 PolarHBondContact O-N 3.33Å; H917-L919 PolarHBondContact O-N 3.43Å; H917-L920 PolarHBondContact O-N 2.66Å; H917-L921 WeakPolarHBondContact O-CB 3.45Å; H917-L921 WeakPolarHBondContact O-CD1 3.4Å; H917-L921 WeakPolarHBondContact O-CG 3.14Å; H917-L921 PolarHBondContact O-N 2.82Å
918	R	94.5	Very high	93.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-59.3	-47.2	177.1	-72.2	172.8	-178.3	156.1	11.8	112.1	V593 D600 Y911 I914 I915 L921 A922 L930	V593-R918 PolarHBondContact O-NH2 3.05Å; D600-R918 VanDerWaalsContact CG-NH2 3.32Å; D600-R918 IonicContact OD1-CZ 3.01Å; D600-R918 IonicContact OD1-NH1 2.73Å; D600-R918 PolarHBondContact OD1-NH1 3.38Å; D600-R918 IonicContact OD1-NH2 3.83Å; D600-R918 PolarHBondContact OD1-NH2 3.33Å; D600-R918 IonicContact OD2-NH1 2.74Å; D600-R918 PolarHBondContact OD2-NH1 2.82Å; D600-R918 IonicContact OD2-NH2 3.54Å; Y911-R918 PolarHBondContact OH-NH1 3.38Å; I914-R918 WeakPolarHBondContact O-CG 3.45Å; I914-R918 PolarHBondContact O-N 2.69Å; I915-R918 WeakPolarHBondContact O-CB 3.37Å; I915-R918 PolarHBondContact O-N 3.08Å; R918-L921 PolarHBondContact O-N 3.3Å; R918-A922 WeakPolarHBondContact O-CB 3.31Å; R918-A922 PolarHBondContact O-N 2.63Å; R918-L930 HydrophobicContact CB-CD2 4.01Å; R918-L930 HydrophobicContact CG-CD2 4.05Å
919	L	93.8	Very high	91.6	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.01	10%	0.099	C	C	.	.	H	α-helix	trans	-63.9	-45.3	178	-69.8	173.1	0	0	0	111.9	Y807 C812 I915 V916 H917 L921 A922 S923 L955	Y807-L919 HydrophobicContact CD2-CD2 4.22Å; Y807-L919 HydrophobicContact CE2-CD2 4.48Å; Y807-L919 WeakPolarHBondContact CE2-O 3.34Å; C812-L919 HydrophobicContact CB-CD1 4.25Å; I915-L919 HydrophobicContact CG2-CD1 4Å; I915-L919 HydrophobicContact CG2-CG 4.36Å; I915-L919 WeakPolarHBondContact O-CG 3.4Å; I915-L919 PolarHBondContact O-N 3.1Å; V916-L919 PolarHBondContact O-N 3.13Å; H917-L919 PolarHBondContact O-N 3.43Å; L919-L921 PolarHBondContact O-N 2.93Å; L919-A922 PolarHBondContact O-N 3.25Å; L919-S923 PolarHBondContact O-N 3.49Å; L919-L955 HydrophobicContact CD2-CD1 3.82Å
920	L	96.1	Very high	90	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-59.7	-49.6	178	177.3	62.9	0	0	0	110.6	V640 Y658 V799 R802 F904 V916 H917 S923 L924	V640-L920 HydrophobicContact CG1-CD2 4.07Å; Y658-L920 HydrophobicContact CD1-CD1 3.86Å; Y658-L920 HydrophobicContact CD1-CD2 4.28Å; Y658-L920 HydrophobicContact CG-CD1 4.09Å; V799-L920 HydrophobicContact CG1-CB 4.38Å; V799-L920 HydrophobicContact CG1-CD1 4.38Å; V799-L920 HydrophobicContact CG1-CD2 4.05Å; V799-L920 HydrophobicContact CG2-CD2 4.05Å; R802-L920 HydrophobicContact CB-CD1 4.16Å; R802-L920 HydrophobicContact CG-CD1 3.65Å; F904-L920 HydrophobicContact CD2-CD2 4.25Å; F904-L920 HydrophobicContact CE2-CD2 3.74Å; F904-L920 HydrophobicContact CZ-CD2 4.33Å; V916-L920 VanDerWaalsContact O-CB 3.25Å; V916-L920 WeakPolarHBondContact O-CB 3.22Å; V916-L920 PolarHBondContact O-N 3.5Å; H917-L920 PolarHBondContact O-N 2.66Å; L920-S923 WeakPolarHBondContact O-CB 3.42Å; L920-S923 PolarHBondContact O-N 3.42Å; L920-S923 PolarHBondContact O-OG 3.1Å; L920-L924 WeakPolarHBondContact O-CG 3.19Å; L920-L924 PolarHBondContact O-N 3Å
921	L	95.2	Very high	87.9	Confident	1 Å²	1	19 Å²	19	1%	0.005	11%	0.106	C	C	.	.	H	α-helix	trans	-67.6	-39.6	-178	-67.9	166.3	0	0	0	112.5	S590 V640 R660 H917 R918 L919 S923 L924 G925 D926	S590-L921 WeakPolarHBondContact OG-CD1 3.34Å; V640-L921 HydrophobicContact CG1-CD2 4.26Å; V640-L921 HydrophobicContact CG2-CD1 4.16Å; R660-L921 HydrophobicContact CG-CD2 3.76Å; R660-L921 VanDerWaalsContact CZ-CD1 3.43Å; R660-L921 VanDerWaalsContact NH2-CD1 3.31Å; H917-L921 WeakPolarHBondContact O-CB 3.45Å; H917-L921 WeakPolarHBondContact O-CD1 3.4Å; H917-L921 WeakPolarHBondContact O-CG 3.14Å; H917-L921 PolarHBondContact O-N 2.82Å; R918-L921 PolarHBondContact O-N 3.3Å; L919-L921 PolarHBondContact O-N 2.93Å; L921-S923 VanDerWaalsContact C-N 3.28Å; L921-S923 PolarHBondContact O-N 2.79Å; L921-L924 CarbonylContact O-C 3.48Å; L921-L924 WeakPolarHBondContact O-CA 3.41Å; L921-L924 WeakPolarHBondContact O-CB 3.25Å; L921-L924 PolarHBondContact O-N 3.42Å; L921-G925 PolarHBondContact O-N 3.35Å; L921-D926 CarbonylContact C-O 3.56Å; L921-D926 HydrophobicContact CB-CB 4.37Å; L921-D926 PolarHBondContact O-N 2.92Å
922	A	91.4	Very high	85.6	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.6	-36.2	173.1	0	0	0	0	0	111.9	Y807 R918 L919 L924 G925 F927 L955	Y807-A922 HydrophobicContact CE2-CB 4.32Å; Y807-A922 WeakPolarHBondContact OH-CB 3.41Å; R918-A922 WeakPolarHBondContact O-CB 3.31Å; R918-A922 PolarHBondContact O-N 2.63Å; L919-A922 PolarHBondContact O-N 3.25Å; A922-L924 PolarHBondContact O-N 3.42Å; A922-L924 VanDerWaalsContact O-N 3.12Å; A922-G925 PolarHBondContact O-N 3.01Å; A922-F927 HydrophobicContact CB-CD1 3.99Å; A922-F927 HydrophobicContact CB-CE1 3.83Å; A922-L955 HydrophobicContact CB-CD1 3.72Å; A922-L955 HydrophobicContact CB-CD2 4.38Å
923	S	91.2	Very high	82.9	Confident	4 Å²	4	26 Å²	26	3%	0.028	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-12.8	173.6	86	0	0	0	0	114.1	R802 L919 L920 L921	R802-S923 PolarHBondContact NE-OG 3.44Å; R802-S923 PolarHBondContact NH2-O 2.79Å; L919-S923 PolarHBondContact O-N 3.49Å; L920-S923 WeakPolarHBondContact O-CB 3.42Å; L920-S923 PolarHBondContact O-N 3.42Å; L920-S923 PolarHBondContact O-OG 3.1Å; L921-S923 VanDerWaalsContact C-N 3.28Å; L921-S923 PolarHBondContact O-N 2.79Å
924	L	91.2	Very high	80.1	Confident	71 Å²	71	34.3 Å²	34.3	37%	0.372	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	2.4	175.4	-55.7	171	0	0	0	111.9	Y658 L920 L921 A922	Y658-L924 WeakPolarHBondContact O-CD1 3.49Å; L920-L924 WeakPolarHBondContact O-CG 3.19Å; L920-L924 PolarHBondContact O-N 3Å; L921-L924 CarbonylContact O-C 3.48Å; L921-L924 WeakPolarHBondContact O-CA 3.41Å; L921-L924 WeakPolarHBondContact O-CB 3.25Å; L921-L924 PolarHBondContact O-N 3.42Å; A922-L924 PolarHBondContact O-N 3.42Å; A922-L924 VanDerWaalsContact O-N 3.12Å
925	G	85.7	Confident	77.1	Confident	48 Å²	48	39.1 Å²	39.1	50%	0.495	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.6	12.5	-176.2	0	0	0	0	0	114.7	L921 A922 F927	L921-G925 PolarHBondContact O-N 3.35Å; A922-G925 PolarHBondContact O-N 3.01Å; G925-F927 WeakPolarHBondContact O-CD2 3.03Å
926	D	84	Confident	74.2	Confident	26 Å²	26	44.4 Å²	44.4	14%	0.139	25%	0.246	C	C	.	.			trans	-102.2	92.4	-179.6	-170.8	-9.7	0	0	0	111.9	R660 L921 R928	R660-D926 WeakPolarHBondContact CD-OD2 3.48Å; R660-D926 IonicContact CZ-OD2 2.71Å; R660-D926 IonicContact NE-OD2 3.27Å; R660-D926 IonicContact NH1-OD1 2.69Å; R660-D926 PolarHBondContact NH1-OD1 3.31Å; R660-D926 IonicContact NH1-OD2 3.17Å; R660-D926 PolarHBondContact NH1-OD2 2.87Å; L921-D926 CarbonylContact C-O 3.56Å; L921-D926 HydrophobicContact CB-CB 4.37Å; L921-D926 PolarHBondContact O-N 2.92Å; D926-R928 WeakPolarHBondContact OD1-CB 3.21Å; D926-R928 WeakPolarHBondContact OD1-CG 3.47Å; D926-R928 IonicContact OD1-CZ 3.3Å; D926-R928 PolarHBondContact OD1-N 2.86Å; D926-R928 IonicContact OD1-NE 3.67Å; D926-R928 PolarHBondContact OD1-NE 2.89Å; D926-R928 IonicContact OD1-NH2 2.72Å; D926-R928 IonicContact OD2-CZ 3.87Å; D926-R928 IonicContact OD2-NE 3.06Å; D926-R928 PolarHBondContact OD2-NE 2.93Å; D926-R928 IonicContact OD2-NH2 2.94Å; D926-R928 PolarHBondContact OD2-NH2 2.82Å
927	F	78.8	Confident	71.3	Confident	71 Å²	71	50.2 Å²	50.2	31%	0.311	28%	0.277	S	S	.	.			trans	-92	7.2	-175.9	-56	-78.9	0	0	0	114.3	A922 G925 S929 L930	A922-F927 HydrophobicContact CB-CD1 3.99Å; A922-F927 HydrophobicContact CB-CE1 3.83Å; G925-F927 WeakPolarHBondContact O-CD2 3.03Å; F927-S929 PolarHBondContact O-N 2.8Å; F927-S929 VanDerWaalsContact O-N 3.13Å; F927-L930 HydrophobicContact CB-CD1 4.25Å; F927-L930 HydrophobicContact CD1-CD1 3.71Å; F927-L930 HydrophobicContact CG-CD1 4.48Å; F927-L930 WeakPolarHBondContact O-CB 3.37Å; F927-L930 PolarHBondContact O-N 2.85Å
928	R	76.6	Confident	68.3	Low	78 Å²	78	57.4 Å²	57.4	29%	0.294	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-27	-174.2	-68.8	177.2	-71.2	170.3	-2.8	114.1	E523 D926 L930	E523-R928 IonicContact OE1-CZ 3.46Å; E523-R928 IonicContact OE1-NH1 2.66Å; E523-R928 PolarHBondContact OE1-NH1 3.37Å; E523-R928 IonicContact OE1-NH2 3.43Å; E523-R928 IonicContact OE2-NH1 3.08Å; E523-R928 PolarHBondContact OE2-NH1 2.92Å; D926-R928 WeakPolarHBondContact OD1-CB 3.21Å; D926-R928 WeakPolarHBondContact OD1-CG 3.47Å; D926-R928 IonicContact OD1-CZ 3.3Å; D926-R928 PolarHBondContact OD1-N 2.86Å; D926-R928 IonicContact OD1-NE 3.67Å; D926-R928 PolarHBondContact OD1-NE 2.89Å; D926-R928 IonicContact OD1-NH2 2.72Å; D926-R928 IonicContact OD2-CZ 3.87Å; D926-R928 IonicContact OD2-NE 3.06Å; D926-R928 PolarHBondContact OD2-NE 2.93Å; D926-R928 IonicContact OD2-NH2 2.94Å; D926-R928 PolarHBondContact OD2-NH2 2.82Å; R928-L930 VanDerWaalsContact C-N 3.26Å; R928-L930 PolarHBondContact O-N 2.74Å
929	S	66.4	Low	65.5	Low	1 Å²	1	60.4 Å²	60.4	1%	0.007	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-7	176.3	47.5	0	0	0	0	114	S590 S595 F927	S590-S929 WeakPolarHBondContact O-CB 3.39Å; S595-S929 PolarHBondContact N-O 2.7Å; F927-S929 PolarHBondContact O-N 2.8Å; F927-S929 VanDerWaalsContact O-N 3.13Å
930	L	62.5	Low	62.8	Low	35 Å²	35	69.9 Å²	69.9	18%	0.183	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-21.9	-175.9	-53	-176.3	0	0	0	113.6	R918 F927 R928 L955	R918-L930 HydrophobicContact CB-CD2 4.01Å; R918-L930 HydrophobicContact CG-CD2 4.05Å; F927-L930 HydrophobicContact CB-CD1 4.25Å; F927-L930 HydrophobicContact CD1-CD1 3.71Å; F927-L930 HydrophobicContact CG-CD1 4.48Å; F927-L930 WeakPolarHBondContact O-CB 3.37Å; F927-L930 PolarHBondContact O-N 2.85Å; R928-L930 VanDerWaalsContact C-N 3.26Å; R928-L930 PolarHBondContact O-N 2.74Å; L930-L955 HydrophobicContact CD1-CD2 3.32Å; L930-L955 HydrophobicContact CD1-CG 3.84Å; L930-L955 HydrophobicContact CD2-CD2 3.3Å; L930-L955 HydrophobicContact CG-CD2 3.91Å
931	T	55.4	Low	60	Low	61 Å²	61	74.7 Å²	74.7	37%	0.374	40%	0.403	S	S	.	.			trans	-92.4	119.1	-176.9	54.9	0	0	0	0	110.6	T933	T931-T933 VanDerWaalsContact C-N 3.29Å
932	T	49.1	Very low	57.2	Low	81 Å²	81	79.9 Å²	79.9	50%	0.497	44%	0.435	S	S	.	.			trans	-77.1	-17.9	172.7	-15.1	0	0	0	0	111.9	S595	S595-T932 PolarHBondContact O-OG1 2.86Å; S595-T932 VanDerWaalsContact O-OG1 3.05Å
933	T	41.3	Very low	54.7	Low	66 Å²	66	87.2 Å²	87.2	41%	0.405	47%	0.469	S	S	.	.			trans	-103	87.8	-166	38.9	0	0	0	0	113.4	T931 S935	T931-T933 VanDerWaalsContact C-N 3.29Å; T933-S935 PolarHBondContact O-N 2.81Å
934	Q	40.4	Very low	52	Low	174 Å²	174	90.6 Å²	90.6	81%	0.813	49%	0.486	S	S	*	.	H	α-helix	trans	-61.5	-21.6	152.7	-77.4	-171.2	-1.7	0	0	111.5	E936	Q934-E936 VanDerWaalsContact C-N 3.31Å; Q934-E936 PolarHBondContact O-N 2.95Å
935	S	34.8	Very low	49.4	Very low	102 Å²	102	90.3 Å²	90.3	71%	0.713	49%	0.487	S	S	*	.	H	α-helix	trans	-74.4	-11.7	-175.6	-157.8	0	0	0	0	115.2	T933	T933-S935 PolarHBondContact O-N 2.81Å
936	E	35.3	Very low	47	Very low	111 Å²	111	91 Å²	91	52%	0.519	48%	0.482	S	S	.	.	H	α-helix	trans	-107.7	-11.2	177.1	-73.2	-170.5	160.2	0	0	114.5	Q934 N938 S939	Q934-E936 VanDerWaalsContact C-N 3.31Å; Q934-E936 PolarHBondContact O-N 2.95Å; E936-N938 PolarHBondContact O-N 3.46Å; E936-S939 WeakPolarHBondContact O-CB 3.21Å; E936-S939 PolarHBondContact O-N 2.97Å
937	L	35.9	Very low	44.8	Very low	123 Å²	123	94 Å²	94	64%	0.644	50%	0.497	S	S	*	.	H	α-helix	trans	-67.5	-19.2	171	-77.9	165.1	0	0	0	112.9	S939	L937-S939 VanDerWaalsContact C-N 3.3Å
938	N	33.9	Very low	43	Very low	151 Å²	151	95.8 Å²	95.8	81%	0.807	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-10.7	171.6	-78.4	-16.7	0	0	0	113.6	E936 K940	E936-N938 PolarHBondContact O-N 3.46Å; N938-K940 PolarHBondContact O-N 3.1Å
939	S	36	Very low	41.2	Very low	62 Å²	62	97.7 Å²	97.7	43%	0.434	52%	0.522	S	S	.	.	S	Bend	trans	-80.5	111.1	167.3	-62.2	0	0	0	0	107.4	E936 L937 N941	E936-S939 WeakPolarHBondContact O-CB 3.21Å; E936-S939 PolarHBondContact O-N 2.97Å; L937-S939 VanDerWaalsContact C-N 3.3Å; S939-N941 PolarHBondContact O-N 3.46Å
940	K	38.3	Very low	40	Very low	202 Å²	202	103.9 Å²	103.9	88%	0.878	55%	0.554	S	S	*	*			trans	-59.4	22.8	174.3	-73.6	178.2	170.9	177.9	0	114.8	N938 T942	N938-K940 PolarHBondContact O-N 3.1Å; K940-T942 PolarHBondContact O-N 3.23Å; K940-T942 VanDerWaalsContact O-N 3.13Å
941	N	36.3	Very low	38.9	Very low	101 Å²	101	106.1 Å²	106.1	54%	0.54	57%	0.567	S	S	.	*			trans	-85.4	82.3	178.5	-72.2	-7.2	0	0	0	109.1	S939 E943 L944	S939-N941 PolarHBondContact O-N 3.46Å; N941-E943 PolarHBondContact O-N 3.37Å; N941-L944 HydrophobicContact CB-CD1 4.32Å; N941-L944 PolarHBondContact O-N 3Å
942	T	37.1	Very low	38.3	Very low	110 Å²	110	106.5 Å²	106.5	68%	0.675	57%	0.569	S	S	*	*	H	α-helix	trans	-50.1	-22.2	172.3	-41.9	0	0	0	0	113	K940 T946	K940-T942 PolarHBondContact O-N 3.23Å; K940-T942 VanDerWaalsContact O-N 3.13Å; T942-T946 PolarHBondContact O-N 3.36Å; T942-T946 PolarHBondContact O-OG1 2.98Å
943	E	37.6	Very low	38.2	Very low	153 Å²	153	108.2 Å²	108.2	72%	0.715	58%	0.575	S	S	*	*	H	α-helix	trans	-68	-30.9	175.6	-88.2	178.1	156.8	0	0	114.9	N941 T946 I947	N941-E943 PolarHBondContact O-N 3.37Å; E943-T946 WeakPolarHBondContact CA-OG1 3.46Å; E943-T946 PolarHBondContact O-OG1 3.5Å; E943-T946 VanDerWaalsContact O-OG1 3.06Å; E943-I947 WeakPolarHBondContact O-CD1 3.44Å; E943-I947 WeakPolarHBondContact O-CG1 3.39Å; E943-I947 PolarHBondContact O-N 2.85Å; E943-I947 VanDerWaalsContact O-N 3.07Å
944	L	34.7	Very low	38.7	Very low	76 Å²	76	108 Å²	108	40%	0.398	59%	0.585	S	S	.	*	H	α-helix	trans	-75.2	-33.2	179.3	-75.3	165.8	0	0	0	111.7	N941 I947 L948	N941-L944 HydrophobicContact CB-CD1 4.32Å; N941-L944 PolarHBondContact O-N 3Å; L944-I947 PolarHBondContact O-N 3.18Å; L944-L948 WeakPolarHBondContact O-CG 3.41Å; L944-L948 PolarHBondContact O-N 3.2Å
945	V	36.6	Very low	39.9	Very low	65 Å²	65	100.4 Å²	100.4	39%	0.394	55%	0.55	S	S	.	*	H	α-helix	trans	-66.4	-42	174.8	180	0	0	0	0	110.4	L948 E949	V945-L948 PolarHBondContact O-N 3.23Å; V945-E949 HydrophobicContact CG1-CG 4.41Å; V945-E949 WeakPolarHBondContact O-CB 3.32Å; V945-E949 WeakPolarHBondContact O-CG 3.25Å; V945-E949 PolarHBondContact O-N 2.8Å
946	T	35.9	Very low	42	Very low	61 Å²	61	95.9 Å²	95.9	37%	0.374	52%	0.518	S	S	.	.	H	α-helix	trans	-70.1	-31.1	176	40.2	0	0	0	0	113.5	T942 E943 L948 N950	T942-T946 PolarHBondContact O-N 3.36Å; T942-T946 PolarHBondContact O-OG1 2.98Å; E943-T946 WeakPolarHBondContact CA-OG1 3.46Å; E943-T946 PolarHBondContact O-OG1 3.5Å; E943-T946 VanDerWaalsContact O-OG1 3.06Å; T946-L948 VanDerWaalsContact C-N 3.34Å; T946-N950 VanDerWaalsContact O-CB 3.32Å; T946-N950 WeakPolarHBondContact O-CB 3.42Å; T946-N950 PolarHBondContact O-N 3.41Å; T946-N950 PolarHBondContact O-ND2 3.04Å
947	I	38.2	Very low	44.3	Very low	89 Å²	89	93.7 Å²	93.7	46%	0.456	52%	0.515	S	S	.	.	H	α-helix	trans	-66.7	-38.1	171.5	-67.3	162.6	0	0	0	110.6	E943 L944 N951	E943-I947 WeakPolarHBondContact O-CD1 3.44Å; E943-I947 WeakPolarHBondContact O-CG1 3.39Å; E943-I947 PolarHBondContact O-N 2.85Å; E943-I947 VanDerWaalsContact O-N 3.07Å; L944-I947 PolarHBondContact O-N 3.18Å; I947-N951 VanDerWaalsContact O-CB 3.24Å; I947-N951 WeakPolarHBondContact O-CB 3.2Å; I947-N951 PolarHBondContact O-N 2.91Å
948	L	39.8	Very low	46.6	Very low	110 Å²	110	89.6 Å²	89.6	58%	0.576	50%	0.496	S	S	*	.	H	α-helix	trans	-73.3	-39.1	176.6	-73	166.7	0	0	0	112.9	L944 V945 T946 N950 N951	L944-L948 WeakPolarHBondContact O-CG 3.41Å; L944-L948 PolarHBondContact O-N 3.2Å; V945-L948 PolarHBondContact O-N 3.23Å; T946-L948 VanDerWaalsContact C-N 3.34Å; L948-N950 VanDerWaalsContact C-N 3.27Å; L948-N950 PolarHBondContact O-N 2.88Å; L948-N951 CarbonylContact O-C 3.53Å; L948-N951 PolarHBondContact O-N 3.28Å
949	E	40.4	Very low	49.2	Very low	118 Å²	118	90.4 Å²	90.4	55%	0.551	50%	0.495	S	S	*	.	H	α-helix	trans	-63.3	-34.2	173.1	-76.6	178.6	168.6	0	0	111.8	V945	V945-E949 HydrophobicContact CG1-CG 4.41Å; V945-E949 WeakPolarHBondContact O-CB 3.32Å; V945-E949 WeakPolarHBondContact O-CG 3.25Å; V945-E949 PolarHBondContact O-N 2.8Å
950	N	41	Very low	51.7	Low	130 Å²	130	90.7 Å²	90.7	70%	0.695	49%	0.49	S	S	*	.	H	α-helix	trans	-83.2	-23.8	175.3	-72.9	-27.5	0	0	0	113.5	T946 L948 T952	T946-N950 VanDerWaalsContact O-CB 3.32Å; T946-N950 WeakPolarHBondContact O-CB 3.42Å; T946-N950 PolarHBondContact O-N 3.41Å; T946-N950 PolarHBondContact O-ND2 3.04Å; L948-N950 VanDerWaalsContact C-N 3.27Å; L948-N950 PolarHBondContact O-N 2.88Å; N950-T952 PolarHBondContact O-N 2.87Å
951	N	38.7	Very low	54.3	Low	83 Å²	83	81.1 Å²	81.1	44%	0.444	45%	0.448	S	S	.	.			trans	-82.9	67.6	172.9	-82.6	-15.5	0	0	0	110.7	I947 L948 D953 G954	I947-N951 VanDerWaalsContact O-CB 3.24Å; I947-N951 WeakPolarHBondContact O-CB 3.2Å; I947-N951 PolarHBondContact O-N 2.91Å; L948-N951 CarbonylContact O-C 3.53Å; L948-N951 PolarHBondContact O-N 3.28Å; N951-D953 PolarHBondContact O-N 3.1Å; N951-G954 PolarHBondContact O-N 3.49Å; N951-G954 VanDerWaalsContact O-N 3.16Å
952	T	43.1	Very low	57	Low	69 Å²	69	77.1 Å²	77.1	42%	0.423	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-58.5	-7.9	161.7	51.3	0	0	0	0	113	R810 N950 G954	R810-T952 PolarHBondContact NH1-O 2.78Å; N950-T952 PolarHBondContact O-N 2.87Å; T952-G954 PolarHBondContact O-N 2.98Å
953	D	47.7	Very low	59.6	Low	117 Å²	117	75.4 Å²	75.4	63%	0.626	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-72.4	-7.5	172.6	-73.2	-23.9	0	0	0	114.6	R810 N951 L955	R810-D953 IonicContact NH1-OD1 2.76Å; N951-D953 PolarHBondContact O-N 3.1Å; D953-L955 PolarHBondContact O-N 3.28Å
954	G	51.6	Low	62.3	Low	60 Å²	60	68.2 Å²	68.2	62%	0.619	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-83	4.2	-168.6	0	0	0	0	0	118.9	N951 T952	N951-G954 PolarHBondContact O-N 3.49Å; N951-G954 VanDerWaalsContact O-N 3.16Å; T952-G954 PolarHBondContact O-N 2.98Å
955	L	65.6	Low	65.3	Low	15 Å²	15	64.6 Å²	64.6	8%	0.079	37%	0.37	C	S	.	.	S	Bend	trans	-83.2	-75.5	-177.5	-84.1	165.2	0	0	0	112.5	Y807 L919 A922 L930 D953	Y807-L955 HydrophobicContact CE1-CD1 4.07Å; Y807-L955 HydrophobicContact CE2-CD1 4.17Å; L919-L955 HydrophobicContact CD2-CD1 3.82Å; A922-L955 HydrophobicContact CB-CD1 3.72Å; A922-L955 HydrophobicContact CB-CD2 4.38Å; L930-L955 HydrophobicContact CD1-CD2 3.32Å; L930-L955 HydrophobicContact CD1-CG 3.84Å; L930-L955 HydrophobicContact CD2-CD2 3.3Å; L930-L955 HydrophobicContact CG-CD2 3.91Å; D953-L955 PolarHBondContact O-N 3.28Å
956	F	77.6	Confident	68	Low	8 Å²	8	66 Å²	66	4%	0.035	38%	0.375	C	S	.	.			trans	-151.3	138.8	176.8	-62	-78.1	0	0	0	107.1	I915 E960 L961 I964	I915-F956 HydrophobicContact CG1-CZ 4.43Å; I915-F956 HydrophobicContact CG2-CD2 4.38Å; I915-F956 HydrophobicContact CG2-CE2 3.9Å; F956-E960 HydrophobicContact CD1-CG 4.42Å; F956-L961 HydrophobicContact CB-CB 4.1Å; F956-L961 HydrophobicContact CG-CD1 4.48Å; F956-I964 HydrophobicContact CD1-CD1 3.77Å; F956-I964 HydrophobicContact CE1-CD1 3.76Å
957	S	84.8	Confident	70.9	Confident	65 Å²	65	65.8 Å²	65.8	46%	0.455	37%	0.37	S	S	.	.			trans	-68.5	154.6	164.8	70.3	0	0	0	0	109.9	E959 E960 L961	S957-E959 PolarHBondContact O-N 2.84Å; S957-E960 PolarHBondContact O-N 2.83Å; S957-E960 WeakPolarHBondContact OG-CB 3.13Å; S957-E960 PolarHBondContact OG-N 3.4Å; S957-E960 VanDerWaalsContact OG-N 3.1Å; S957-L961 PolarHBondContact O-N 3.25Å
958	S	84.5	Confident	73.7	Confident	36 Å²	36	61.8 Å²	61.8	25%	0.252	35%	0.349	S	S	.	.	H	α-helix	trans	-56.3	-41	177.6	175.9	0	0	0	0	112.1	G882 A962	G882-S958 WeakPolarHBondContact CA-OG 3.32Å; G882-S958 PolarHBondContact O-OG 2.96Å; S958-A962 WeakPolarHBondContact O-CB 3.2Å; S958-A962 PolarHBondContact O-N 2.98Å
959	E	87.6	Confident	76.4	Confident	168 Å²	168	57.7 Å²	57.7	79%	0.785	33%	0.328	S	S	*	.	H	α-helix	trans	-66.9	-42.7	178.1	-64.4	-175.5	174.7	0	0	112.1	S957 A962 S963	S957-E959 PolarHBondContact O-N 2.84Å; E959-A962 PolarHBondContact O-N 2.82Å; E959-S963 PolarHBondContact O-N 3.23Å
960	E	89.1	Confident	79.1	Confident	69 Å²	69	58 Å²	58	32%	0.322	33%	0.329	S	S	.	.	H	α-helix	trans	-62.1	-48.9	176.2	-176.7	-178.8	-173.9	0	0	110.9	R604 F956 S957 A962 S963 I964	R604-E960 IonicContact CZ-OE1 3.7Å; R604-E960 IonicContact NH1-OE1 3.68Å; R604-E960 PolarHBondContact NH1-OE1 3.08Å; R604-E960 IonicContact NH2-OE1 3.52Å; R604-E960 PolarHBondContact NH2-OE1 3.44Å; F956-E960 HydrophobicContact CD1-CG 4.42Å; S957-E960 PolarHBondContact O-N 2.83Å; S957-E960 WeakPolarHBondContact OG-CB 3.13Å; S957-E960 PolarHBondContact OG-N 3.4Å; S957-E960 VanDerWaalsContact OG-N 3.1Å; E960-A962 VanDerWaalsContact C-N 3.29Å; E960-A962 PolarHBondContact O-N 3.3Å; E960-S963 WeakPolarHBondContact O-CB 3.35Å; E960-S963 PolarHBondContact O-N 3.1Å; E960-S963 VanDerWaalsContact O-N 3.09Å; E960-I964 HydrophobicContact CG-CD1 4.08Å; E960-I964 HydrophobicContact CG-CG1 4.49Å; E960-I964 WeakPolarHBondContact O-CG1 3.32Å; E960-I964 PolarHBondContact O-N 3.06Å
961	L	91.9	Very high	81.7	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-63	-38.3	-179.7	-172.4	59.4	0	0	0	111.6	R810 C812 I915 F956 S957 S963 I964 C965	R810-L961 VanDerWaalsContact O-CD2 3.28Å; R810-L961 WeakPolarHBondContact O-CD2 3.48Å; C812-L961 HydrophobicContact CB-CD1 4.2Å; C812-L961 HydrophobicContact CB-CD2 4.34Å; I915-L961 HydrophobicContact CD1-CD1 4.31Å; I915-L961 HydrophobicContact CG2-CD1 4.01Å; F956-L961 HydrophobicContact CB-CB 4.1Å; F956-L961 HydrophobicContact CG-CD1 4.48Å; S957-L961 PolarHBondContact O-N 3.25Å; L961-S963 VanDerWaalsContact C-N 3.34Å; L961-S963 PolarHBondContact O-N 3.39Å; L961-I964 PolarHBondContact O-N 2.89Å; L961-C965 WeakPolarHBondContact O-CB 3.38Å; L961-C965 PolarHBondContact O-N 3.22Å; L961-C965 PolarHBondContact O-SG 3.44Å
962	A	92.7	Very high	84.4	Confident	17 Å²	17	51.4 Å²	51.4	14%	0.14	29%	0.291	C	S	.	.	H	α-helix	trans	-62.1	-41.4	173.6	0	0	0	0	0	111.9	S958 E959 E960 C965 N966	S958-A962 WeakPolarHBondContact O-CB 3.2Å; S958-A962 PolarHBondContact O-N 2.98Å; E959-A962 PolarHBondContact O-N 2.82Å; E960-A962 VanDerWaalsContact C-N 3.29Å; E960-A962 PolarHBondContact O-N 3.3Å; A962-C965 PolarHBondContact O-N 2.93Å; A962-N966 PolarHBondContact O-N 3.43Å; A962-N966 PolarHBondContact O-ND2 3.49Å
963	S	92.9	Very high	86.9	Confident	75 Å²	75	53.8 Å²	53.8	52%	0.524	29%	0.293	S	S	.	.	H	α-helix	trans	-63.9	-41.6	174.9	-177.3	0	0	0	0	112.1	E959 E960 L961 N966 H967	E959-S963 PolarHBondContact O-N 3.23Å; E960-S963 WeakPolarHBondContact O-CB 3.35Å; E960-S963 PolarHBondContact O-N 3.1Å; E960-S963 VanDerWaalsContact O-N 3.09Å; L961-S963 VanDerWaalsContact C-N 3.34Å; L961-S963 PolarHBondContact O-N 3.39Å; S963-N966 PolarHBondContact O-N 3.41Å; S963-H967 PolarHBondContact O-N 3.07Å; S963-H967 VanDerWaalsContact O-N 3.08Å
964	I	94.3	Very high	89.2	Confident	2 Å²	2	48.6 Å²	48.6	1%	0.01	27%	0.266	C	S	.	.	H	α-helix	trans	-62	-46.2	175	-63.6	168.7	0	0	0	110.5	R604 Y911 I915 F956 E960 L961 N966 H967 M968	R604-I964 VanDerWaalsContact CZ-CD1 3.45Å; R604-I964 VanDerWaalsContact CZ-CG1 3.43Å; Y911-I964 HydrophobicContact CD1-CG2 4.3Å; Y911-I964 HydrophobicContact CE1-CG2 4.05Å; I915-I964 HydrophobicContact CD1-CG2 3.68Å; F956-I964 HydrophobicContact CD1-CD1 3.77Å; F956-I964 HydrophobicContact CE1-CD1 3.76Å; E960-I964 HydrophobicContact CG-CD1 4.08Å; E960-I964 HydrophobicContact CG-CG1 4.49Å; E960-I964 WeakPolarHBondContact O-CG1 3.32Å; E960-I964 PolarHBondContact O-N 3.06Å; L961-I964 PolarHBondContact O-N 2.89Å; I964-N966 VanDerWaalsContact C-N 3.32Å; I964-N966 PolarHBondContact O-N 3.26Å; I964-H967 WeakPolarHBondContact O-CB 3.33Å; I964-H967 PolarHBondContact O-N 2.97Å; I964-M968 HydrophobicContact CG2-CE 4.08Å; I964-M968 HydrophobicContact CG2-CG 4.19Å; I964-M968 HydrophobicContact CG2-SD 4.17Å; I964-M968 WeakPolarHBondContact O-CG 3.49Å; I964-M968 PolarHBondContact O-N 3.28Å
965	C	96.5	Very high	91.3	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-58.7	-42.1	178	-74.8	0	0	0	0	112.6	F879 L961 A962 M968 N969	F879-C965 VanDerWaalsContact C-SG 3.53Å; L961-C965 WeakPolarHBondContact O-CB 3.38Å; L961-C965 PolarHBondContact O-N 3.22Å; L961-C965 PolarHBondContact O-SG 3.44Å; A962-C965 PolarHBondContact O-N 2.93Å; C965-M968 HydrophobicContact CB-CE 4.46Å; C965-M968 PolarHBondContact O-N 3.26Å; C965-N969 VanDerWaalsContact O-CG 3.23Å; C965-N969 PolarHBondContact O-N 3.15Å; C965-N969 PolarHBondContact O-ND2 3.23Å
966	N	95.1	Very high	92.7	Very high	95 Å²	95	49 Å²	49	51%	0.508	25%	0.252	S	S	.	.	H	α-helix	trans	-62.8	-46.5	175.7	-70.6	-25.3	0	0	0	111.6	A962 S963 I964 M968 N969 E970	A962-N966 PolarHBondContact O-N 3.43Å; A962-N966 PolarHBondContact O-ND2 3.49Å; S963-N966 PolarHBondContact O-N 3.41Å; I964-N966 VanDerWaalsContact C-N 3.32Å; I964-N966 PolarHBondContact O-N 3.26Å; N966-M968 PolarHBondContact O-N 3.48Å; N966-N969 WeakPolarHBondContact O-CB 3.5Å; N966-N969 PolarHBondContact O-N 3.5Å; N966-E970 WeakPolarHBondContact O-CG 3.47Å; N966-E970 PolarHBondContact O-N 3.35Å
967	H	95.7	Very high	93.4	Very high	56 Å²	56	49.8 Å²	49.8	26%	0.259	26%	0.256	S	S	.	.	H	α-helix	trans	-58.7	-46	175.3	179.6	68.9	0	0	0	112	R604 R605 S607 S963 I964 N969 E970 Q971	R604-H967 PolarHBondContact O-CD2 2.72Å; R604-H967 VanDerWaalsContact O-CD2 3.28Å; R604-H967 PolarHBondContact O-NE2 3.26Å; R605-H967 PolarHBondContact O-CE1 3.33Å; R605-H967 PolarHBondContact O-NE2 3.39Å; S607-H967 PolarHBondContact OG-CD2 3.18Å; S607-H967 PolarHBondContact OG-NE2 2.96Å; S963-H967 PolarHBondContact O-N 3.07Å; S963-H967 VanDerWaalsContact O-N 3.08Å; I964-H967 WeakPolarHBondContact O-CB 3.33Å; I964-H967 PolarHBondContact O-N 2.97Å; H967-N969 VanDerWaalsContact C-N 3.31Å; H967-N969 PolarHBondContact O-N 2.84Å; H967-E970 PolarHBondContact O-N 3.42Å; H967-Q971 VanDerWaalsContact CE1-CG 3.48Å; H967-Q971 WeakPolarHBondContact CE1-CG 3.46Å; H967-Q971 WeakPolarHBondContact O-CG 3.44Å; H967-Q971 PolarHBondContact O-N 3.12Å
968	M	97.2	Very high	94	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.02	24%	0.235	C	C	.	.	H	α-helix	trans	-60.8	-38.2	176.8	-70.2	-169.9	-59.4	0	0	112.4	Y878 Y911 A912 I915 I964 C965 N966 H972	Y878-M968 HydrophobicContact CD1-CE 4.41Å; Y878-M968 HydrophobicContact CD2-CB 3.79Å; Y878-M968 HydrophobicContact CD2-CE 4.42Å; Y878-M968 HydrophobicContact CE2-CB 4.18Å; Y878-M968 HydrophobicContact CG-CB 4.49Å; Y878-M968 HydrophobicContact CG-CE 4.07Å; Y911-M968 HydrophobicContact CD1-SD 4.09Å; A912-M968 HydrophobicContact CB-CE 4.05Å; A912-M968 HydrophobicContact CB-SD 3.69Å; I915-M968 HydrophobicContact CD1-CE 4.17Å; I915-M968 HydrophobicContact CD1-SD 4.22Å; I964-M968 HydrophobicContact CG2-CE 4.08Å; I964-M968 HydrophobicContact CG2-CG 4.19Å; I964-M968 HydrophobicContact CG2-SD 4.17Å; I964-M968 WeakPolarHBondContact O-CG 3.49Å; I964-M968 PolarHBondContact O-N 3.28Å; C965-M968 HydrophobicContact CB-CE 4.46Å; C965-M968 PolarHBondContact O-N 3.26Å; N966-M968 PolarHBondContact O-N 3.48Å; M968-H972 WeakPolarHBondContact O-CB 3.48Å; M968-H972 PolarHBondContact O-N 3.42Å
969	N	97.4	Very high	94.5	Very high	25 Å²	25	49.8 Å²	49.8	13%	0.134	25%	0.245	C	C	.	.	H	α-helix	trans	-64.3	-43.9	175.9	-72.5	-39	0	0	0	111.8	L877 Y878 C965 N966 H967 W973	L877-N969 WeakPolarHBondContact CA-OD1 3.23Å; L877-N969 HydrophobicContact CD2-CB 4.37Å; Y878-N969 VanDerWaalsContact CD2-OD1 3.3Å; Y878-N969 WeakPolarHBondContact CD2-OD1 3.31Å; Y878-N969 PolarHBondContact N-OD1 2.88Å; Y878-N969 PolarHBondContact O-ND2 3.02Å; C965-N969 VanDerWaalsContact O-CG 3.23Å; C965-N969 PolarHBondContact O-N 3.15Å; C965-N969 PolarHBondContact O-ND2 3.23Å; N966-N969 WeakPolarHBondContact O-CB 3.5Å; N966-N969 PolarHBondContact O-N 3.5Å; H967-N969 VanDerWaalsContact C-N 3.31Å; H967-N969 PolarHBondContact O-N 2.84Å; N969-W973 WeakPolarHBondContact O-CB 3.43Å; N969-W973 PolarHBondContact O-N 2.87Å
970	E	95.3	Very high	94.7	Very high	125 Å²	125	47.1 Å²	47.1	58%	0.584	23%	0.228	S	C	*	.	H	α-helix	trans	-64.5	-49.6	178.5	-70.3	173.6	-171.7	0	0	111.6	N966 H967 W973 A974	N966-E970 WeakPolarHBondContact O-CG 3.47Å; N966-E970 PolarHBondContact O-N 3.35Å; H967-E970 PolarHBondContact O-N 3.42Å; E970-W973 PolarHBondContact O-N 3.03Å; E970-A974 WeakPolarHBondContact O-CB 3.49Å; E970-A974 PolarHBondContact O-N 3.45Å
971	Q	95.7	Very high	94.9	Very high	37 Å²	37	44.9 Å²	44.9	17%	0.173	22%	0.219	C	C	.	.	H	α-helix	trans	-64.4	-41.7	178.8	-66.6	-55.3	-55.5	0	0	112.1	H967 A974 A975	H967-Q971 VanDerWaalsContact CE1-CG 3.48Å; H967-Q971 WeakPolarHBondContact CE1-CG 3.46Å; H967-Q971 WeakPolarHBondContact O-CG 3.44Å; H967-Q971 PolarHBondContact O-N 3.12Å; Q971-A974 PolarHBondContact O-N 3.05Å; Q971-A975 WeakPolarHBondContact O-CB 3.43Å; Q971-A975 PolarHBondContact O-N 3.39Å
972	H	96	Very high	95.1	Very high	36 Å²	36	45 Å²	45	17%	0.167	22%	0.22	C	C	.	.	H	α-helix	trans	-62.3	-44.7	176.9	-179.9	59.9	0	0	0	111.8	R814 M968 A975 Q976	R814-H972 PolarHBondContact NH2-NE2 3.33Å; M968-H972 WeakPolarHBondContact O-CB 3.48Å; M968-H972 PolarHBondContact O-N 3.42Å; H972-A975 PolarHBondContact O-N 2.86Å; H972-Q976 PolarHBondContact NE2-NE2 2.86Å; H972-Q976 WeakPolarHBondContact O-CG 3.2Å; H972-Q976 PolarHBondContact O-N 2.85Å
973	W	95.3	Very high	95.1	Very high	120 Å²	120	46.3 Å²	46.3	46%	0.455	23%	0.225	S	C	.	.	H	α-helix	trans	-61.4	-47.8	176.6	-177.9	83.4	0	0	0	111.2	N969 E970 A975 Q976 Q977	N969-W973 WeakPolarHBondContact O-CB 3.43Å; N969-W973 PolarHBondContact O-N 2.87Å; E970-W973 PolarHBondContact O-N 3.03Å; W973-A975 VanDerWaalsContact C-N 3.34Å; W973-A975 PolarHBondContact O-N 3.13Å; W973-Q976 PolarHBondContact O-N 3.02Å; W973-Q977 HydrophobicContact CD2-CG 3.98Å; W973-Q977 HydrophobicContact CE3-CG 4.07Å; W973-Q977 HydrophobicContact CH2-CG 3.86Å; W973-Q977 HydrophobicContact CZ2-CG 3.74Å; W973-Q977 HydrophobicContact CZ3-CG 4.01Å; W973-Q977 WeakPolarHBondContact O-CG 3.49Å; W973-Q977 PolarHBondContact O-N 3.07Å
974	A	95.5	Very high	95.1	Very high	7 Å²	7	47.2 Å²	47.2	6%	0.058	22%	0.221	C	C	.	.	H	α-helix	trans	-58.1	-44.7	177	0	0	0	0	0	112	H493 L495 E970 Q971 Q976 Q977 V978	H493-A974 WeakPolarHBondContact O-CB 3.45Å; L495-A974 HydrophobicContact CD1-CB 4.24Å; L495-A974 HydrophobicContact CD2-CB 3.69Å; L495-A974 HydrophobicContact CG-CB 3.94Å; E970-A974 WeakPolarHBondContact O-CB 3.49Å; E970-A974 PolarHBondContact O-N 3.45Å; Q971-A974 PolarHBondContact O-N 3.05Å; A974-Q976 PolarHBondContact O-N 3.48Å; A974-Q977 WeakPolarHBondContact O-CB 3.49Å; A974-Q977 PolarHBondContact O-N 3.27Å; A974-V978 WeakPolarHBondContact O-CG2 3.43Å; A974-V978 PolarHBondContact O-N 2.79Å
975	A	96.2	Very high	95.1	Very high	7 Å²	7	47.8 Å²	47.8	6%	0.058	22%	0.224	C	C	.	.	H	α-helix	trans	-60.4	-42.1	176.7	0	0	0	0	0	112.5	L495 T608 I610 Q971 H972 W973 Q977 V978 Q979	L495-A975 HydrophobicContact CD1-CB 4.43Å; T608-A975 HydrophobicContact CG2-CB 3.76Å; I610-A975 HydrophobicContact CG1-CB 3.95Å; Q971-A975 WeakPolarHBondContact O-CB 3.43Å; Q971-A975 PolarHBondContact O-N 3.39Å; H972-A975 PolarHBondContact O-N 2.86Å; W973-A975 VanDerWaalsContact C-N 3.34Å; W973-A975 PolarHBondContact O-N 3.13Å; A975-Q977 VanDerWaalsContact C-N 3.33Å; A975-Q977 PolarHBondContact O-N 2.68Å; A975-V978 PolarHBondContact O-N 2.82Å; A975-Q979 WeakPolarHBondContact O-CB 3.42Å; A975-Q979 PolarHBondContact O-N 3.44Å
976	Q	94.3	Very high	95	Very high	76 Å²	76	48 Å²	48	36%	0.355	23%	0.225	S	C	.	.	H	α-helix	trans	-64.4	-37.6	175.5	-73	-176.4	-38	0	0	112.5	H972 W973 A974 R980	H972-Q976 PolarHBondContact NE2-NE2 2.86Å; H972-Q976 WeakPolarHBondContact O-CG 3.2Å; H972-Q976 PolarHBondContact O-N 2.85Å; W973-Q976 PolarHBondContact O-N 3.02Å; A974-Q976 PolarHBondContact O-N 3.48Å; Q976-R980 PolarHBondContact O-N 3.06Å; Q976-R980 VanDerWaalsContact O-N 3.1Å
977	Q	94.2	Very high	95	Very high	26 Å²	26	44 Å²	44	12%	0.121	20%	0.203	C	C	.	.	H	α-helix	trans	-65.4	-45.1	175.9	-65.1	-55.7	110.7	0	0	111.3	H493 W973 A974 A975 R980 S981	H493-Q977 WeakPolarHBondContact CD2-CB 3.48Å; W973-Q977 HydrophobicContact CD2-CG 3.98Å; W973-Q977 HydrophobicContact CE3-CG 4.07Å; W973-Q977 HydrophobicContact CH2-CG 3.86Å; W973-Q977 HydrophobicContact CZ2-CG 3.74Å; W973-Q977 HydrophobicContact CZ3-CG 4.01Å; W973-Q977 WeakPolarHBondContact O-CG 3.49Å; W973-Q977 PolarHBondContact O-N 3.07Å; A974-Q977 WeakPolarHBondContact O-CB 3.49Å; A974-Q977 PolarHBondContact O-N 3.27Å; A975-Q977 VanDerWaalsContact C-N 3.33Å; A975-Q977 PolarHBondContact O-N 2.68Å; Q977-R980 VanDerWaalsContact CD-NH1 3.3Å; Q977-R980 PolarHBondContact O-N 3.17Å; Q977-S981 PolarHBondContact O-N 3.33Å; Q977-S981 PolarHBondContact O-OG 3.4Å
978	V	96	Very high	94.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.8	-45	175.9	164.9	0	0	0	0	112	I489 L490 H493 L495 I610 L612 A974 A975 R980 S981 S982	I489-V978 HydrophobicContact CG2-CB 4.24Å; I489-V978 HydrophobicContact CG2-CG1 4.04Å; I489-V978 HydrophobicContact CG2-CG2 4.1Å; L490-V978 HydrophobicContact CD2-CG1 3.81Å; L490-V978 HydrophobicContact CD2-CG2 4.47Å; H493-V978 HydrophobicContact CB-CG2 3.54Å; L495-V978 HydrophobicContact CD1-CB 4.07Å; L495-V978 HydrophobicContact CD1-CG2 3.56Å; L495-V978 HydrophobicContact CG-CG2 4.37Å; I610-V978 HydrophobicContact CG2-CG1 3.92Å; L612-V978 HydrophobicContact CD2-CG1 3.38Å; A974-V978 WeakPolarHBondContact O-CG2 3.43Å; A974-V978 PolarHBondContact O-N 2.79Å; A975-V978 PolarHBondContact O-N 2.82Å; V978-R980 VanDerWaalsContact C-N 3.28Å; V978-R980 PolarHBondContact O-N 3.29Å; V978-S981 PolarHBondContact O-N 3.39Å; V978-S982 VanDerWaalsContact O-CB 3.32Å; V978-S982 WeakPolarHBondContact O-CB 3.38Å; V978-S982 PolarHBondContact O-N 3.48Å
979	Q	95	Very high	94.7	Very high	100 Å²	100	42.9 Å²	42.9	47%	0.467	20%	0.199	S	C	.	.	H	α-helix	trans	-57.9	-43	176.6	178.2	176.4	-18	0	0	111.2	Y611 A975 L983	Y611-Q979 WeakPolarHBondContact O-CB 3.46Å; Y611-Q979 WeakPolarHBondContact O-CG 3.23Å; A975-Q979 WeakPolarHBondContact O-CB 3.42Å; A975-Q979 PolarHBondContact O-N 3.44Å; Q979-L983 PolarHBondContact O-N 2.93Å
980	R	92.4	Very high	94.5	Very high	113 Å²	113	41.8 Å²	41.8	43%	0.426	19%	0.193	S	C	.	.	H	α-helix	trans	-65.8	-48.3	176.6	-171.9	-177.7	-57.6	99.9	-0.1	112	Q976 Q977 V978 S982 L983 E984	Q976-R980 PolarHBondContact O-N 3.06Å; Q976-R980 VanDerWaalsContact O-N 3.1Å; Q977-R980 VanDerWaalsContact CD-NH1 3.3Å; Q977-R980 PolarHBondContact O-N 3.17Å; V978-R980 VanDerWaalsContact C-N 3.28Å; V978-R980 PolarHBondContact O-N 3.29Å; R980-S982 VanDerWaalsContact C-N 3.27Å; R980-S982 PolarHBondContact O-N 3.4Å; R980-L983 WeakPolarHBondContact O-CB 3.31Å; R980-L983 PolarHBondContact O-N 2.89Å; R980-L983 VanDerWaalsContact O-N 3.15Å; R980-E984 WeakPolarHBondContact O-CG 3.38Å; R980-E984 PolarHBondContact O-N 2.81Å
981	S	94.1	Very high	94.5	Very high	21 Å²	21	35.8 Å²	35.8	15%	0.147	17%	0.165	C	C	.	.	H	α-helix	trans	-64.2	-33.4	179.2	-68.3	0	0	0	0	112.5	Q977 V978 E984 L985	Q977-S981 PolarHBondContact O-N 3.33Å; Q977-S981 PolarHBondContact O-OG 3.4Å; V978-S981 PolarHBondContact O-N 3.39Å; S981-E984 PolarHBondContact O-N 2.98Å; S981-L985 WeakPolarHBondContact O-CB 3.3Å; S981-L985 PolarHBondContact O-N 2.95Å
982	S	95.2	Very high	94.2	Very high	2 Å²	2	38 Å²	38	1%	0.014	17%	0.174	C	C	.	.	H	α-helix	trans	-63.2	-49	170.7	179.2	0	0	0	0	110.6	A613 V978 R980 E984 L985 F986	A613-S982 PolarHBondContact N-OG 2.87Å; A613-S982 VanDerWaalsContact N-OG 3.12Å; V978-S982 VanDerWaalsContact O-CB 3.32Å; V978-S982 WeakPolarHBondContact O-CB 3.38Å; V978-S982 PolarHBondContact O-N 3.48Å; R980-S982 VanDerWaalsContact C-N 3.27Å; R980-S982 PolarHBondContact O-N 3.4Å; S982-E984 VanDerWaalsContact C-N 3.33Å; S982-E984 PolarHBondContact O-N 2.86Å; S982-L985 WeakPolarHBondContact O-CB 3.33Å; S982-L985 PolarHBondContact O-N 3.39Å; S982-F986 VanDerWaalsContact O-CD2 3.3Å; S982-F986 WeakPolarHBondContact O-CD2 3.4Å; S982-F986 PolarHBondContact O-N 2.64Å
983	L	93.3	Very high	93.9	Very high	45 Å²	45	40.8 Å²	40.8	24%	0.236	19%	0.19	C	C	.	.	H	α-helix	trans	-58.7	-44.5	176.3	-178.6	62.8	0	0	0	111.9	V759 V761 Q979 R980 L985 F986 Q987	V759-L983 HydrophobicContact CB-CD1 4.37Å; V759-L983 HydrophobicContact CB-CD2 4.41Å; V761-L983 HydrophobicContact CG2-CD1 3.97Å; Q979-L983 PolarHBondContact O-N 2.93Å; R980-L983 WeakPolarHBondContact O-CB 3.31Å; R980-L983 PolarHBondContact O-N 2.89Å; R980-L983 VanDerWaalsContact O-N 3.15Å; L983-L985 VanDerWaalsContact C-N 3.34Å; L983-L985 PolarHBondContact O-N 2.98Å; L983-F986 PolarHBondContact O-N 3.42Å; L983-Q987 HydrophobicContact CD1-CG 4.41Å; L983-Q987 HydrophobicContact CG-CG 4.4Å; L983-Q987 WeakPolarHBondContact O-CB 3.39Å; L983-Q987 VanDerWaalsContact O-CG 3.26Å; L983-Q987 WeakPolarHBondContact O-CG 3.31Å; L983-Q987 PolarHBondContact O-N 3.21Å
984	E	93	Very high	93.7	Very high	95 Å²	95	37.3 Å²	37.3	44%	0.444	18%	0.178	S	C	.	.	H	α-helix	trans	-60.2	-41	176.9	-72.1	168.7	179.3	0	0	112.1	R980 S981 S982 Q987 A988	R980-E984 WeakPolarHBondContact O-CG 3.38Å; R980-E984 PolarHBondContact O-N 2.81Å; S981-E984 PolarHBondContact O-N 2.98Å; S982-E984 VanDerWaalsContact C-N 3.33Å; S982-E984 PolarHBondContact O-N 2.86Å; E984-Q987 PolarHBondContact O-N 2.97Å; E984-A988 PolarHBondContact O-N 3.5Å
985	L	93.9	Very high	93.5	Very high	14 Å²	14	39.7 Å²	39.7	7%	0.073	20%	0.198	C	C	.	.	H	α-helix	trans	-60.7	-48.5	174	174	63.1	0	0	0	111.3	L482 E485 I489 S981 S982 L983 A988 L989 L1109	L482-L985 HydrophobicContact CD1-CD2 4.18Å; E485-L985 HydrophobicContact CB-CD2 4.04Å; I489-L985 HydrophobicContact CD1-CB 4.19Å; I489-L985 HydrophobicContact CD1-CD2 3.85Å; S981-L985 WeakPolarHBondContact O-CB 3.3Å; S981-L985 PolarHBondContact O-N 2.95Å; S982-L985 WeakPolarHBondContact O-CB 3.33Å; S982-L985 PolarHBondContact O-N 3.39Å; L983-L985 VanDerWaalsContact C-N 3.34Å; L983-L985 PolarHBondContact O-N 2.98Å; L985-A988 PolarHBondContact O-N 3.15Å; L985-L989 HydrophobicContact CD1-CD1 4.23Å; L985-L989 HydrophobicContact CD1-CG 4.26Å; L985-L989 HydrophobicContact CG-CD1 4.08Å; L985-L989 WeakPolarHBondContact O-CG 3.29Å; L985-L989 PolarHBondContact O-N 3.12Å; L985-L1109 HydrophobicContact CD1-CD1 4.2Å
986	F	94.3	Very high	93	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.018	22%	0.222	C	C	.	.	H	α-helix	trans	-69.3	-33.4	-179.6	-84.2	-96.9	0	0	0	112.8	L482 A613 D614 V761 F763 L773 S982 L983 A988 L989 F990	L482-F986 HydrophobicContact CD1-CE2 3.95Å; L482-F986 HydrophobicContact CD1-CZ 3.77Å; L482-F986 HydrophobicContact CD2-CZ 4.07Å; A613-F986 HydrophobicContact CB-CB 4.09Å; A613-F986 HydrophobicContact CB-CD1 4.08Å; A613-F986 HydrophobicContact CB-CD2 3.46Å; A613-F986 VanDerWaalsContact CB-CD2 3.46Å; A613-F986 HydrophobicContact CB-CE1 4.41Å; A613-F986 HydrophobicContact CB-CE2 3.81Å; A613-F986 HydrophobicContact CB-CG 3.59Å; A613-F986 HydrophobicContact CB-CZ 4.28Å; D614-F986 HydrophobicContact CB-CE1 4.15Å; D614-F986 HydrophobicContact CB-CE2 4.42Å; D614-F986 HydrophobicContact CB-CZ 3.6Å; V761-F986 HydrophobicContact CG1-CD1 4.16Å; V761-F986 HydrophobicContact CG2-CB 4.1Å; F763-F986 HydrophobicContact CE1-CD1 4.23Å; F763-F986 AromaticContact CE1-CE1 3.72Å; F763-F986 HydrophobicContact CE1-CE1 3.72Å; F763-F986 HydrophobicContact CZ-CD1 4.1Å; F763-F986 AromaticContact CZ-CE1 3.78Å; F763-F986 HydrophobicContact CZ-CE1 3.78Å; L773-F986 HydrophobicContact CD1-CD1 4.08Å; L773-F986 HydrophobicContact CD2-CD1 3.9Å; L773-F986 HydrophobicContact CD2-CE1 4.23Å; S982-F986 VanDerWaalsContact O-CD2 3.3Å; S982-F986 WeakPolarHBondContact O-CD2 3.4Å; S982-F986 PolarHBondContact O-N 2.64Å; L983-F986 PolarHBondContact O-N 3.42Å; F986-A988 VanDerWaalsContact C-N 3.34Å; F986-L989 PolarHBondContact O-N 2.83Å; F986-F990 WeakPolarHBondContact O-CB 3.44Å; F986-F990 PolarHBondContact O-N 3.4Å
987	Q	94.2	Very high	92.6	Very high	10 Å²	10	46 Å²	46	5%	0.047	24%	0.236	C	C	.	.	H	α-helix	trans	-59.8	-46.3	169.3	-72.5	170.7	-27	0	0	110.5	L776 L983 E984 F990 F991 Y1023 I1025 I1111	L776-Q987 HydrophobicContact CD1-CB 4.31Å; L776-Q987 HydrophobicContact CD1-CG 4.01Å; L983-Q987 HydrophobicContact CD1-CG 4.41Å; L983-Q987 HydrophobicContact CG-CG 4.4Å; L983-Q987 WeakPolarHBondContact O-CB 3.39Å; L983-Q987 VanDerWaalsContact O-CG 3.26Å; L983-Q987 WeakPolarHBondContact O-CG 3.31Å; L983-Q987 PolarHBondContact O-N 3.21Å; E984-Q987 PolarHBondContact O-N 2.97Å; Q987-F990 PolarHBondContact O-N 2.83Å; Q987-F991 WeakPolarHBondContact O-CD2 3.37Å; Q987-F991 PolarHBondContact O-N 3.2Å; Q987-Y1023 PolarHBondContact NE2-O 3.32Å; Q987-I1025 HydrophobicContact CB-CD1 4.47Å; Q987-I1025 HydrophobicContact CG-CG1 4.41Å; Q987-I1111 HydrophobicContact CB-CD1 3.58Å
988	A	93.5	Very high	92.4	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65.4	-42.5	178.3	0	0	0	0	0	112.5	E984 L985 F986 F991 K992 V1101 L1109 I1111	E984-A988 PolarHBondContact O-N 3.5Å; L985-A988 PolarHBondContact O-N 3.15Å; F986-A988 VanDerWaalsContact C-N 3.34Å; A988-F991 PolarHBondContact O-N 2.9Å; A988-K992 WeakPolarHBondContact O-CB 3.47Å; A988-K992 PolarHBondContact O-N 3.35Å; A988-V1101 WeakPolarHBondContact O-CG2 3.45Å; A988-L1109 HydrophobicContact CB-CB 3.73Å; A988-L1109 HydrophobicContact CB-CD1 4.44Å; A988-I1111 HydrophobicContact CB-CD1 4.44Å; A988-I1111 HydrophobicContact CB-CG1 4.15Å
989	L	93.2	Very high	92.1	Very high	37 Å²	37	52 Å²	52	19%	0.194	28%	0.275	C	S	.	.	H	α-helix	trans	-61.2	-43.2	176	-71.6	172.8	0	0	0	111.9	L482 L773 L985 F986 F991 K992 D993 L1109	L482-L989 HydrophobicContact CD1-CD1 4.02Å; L773-L989 HydrophobicContact CD1-CB 3.93Å; L985-L989 HydrophobicContact CD1-CD1 4.23Å; L985-L989 HydrophobicContact CD1-CG 4.26Å; L985-L989 HydrophobicContact CG-CD1 4.08Å; L985-L989 WeakPolarHBondContact O-CG 3.29Å; L985-L989 PolarHBondContact O-N 3.12Å; F986-L989 PolarHBondContact O-N 2.83Å; L989-F991 VanDerWaalsContact C-N 3.33Å; L989-F991 PolarHBondContact O-N 3.48Å; L989-K992 WeakPolarHBondContact O-CB 3.11Å; L989-K992 PolarHBondContact O-N 2.83Å; L989-K992 VanDerWaalsContact O-N 3.08Å; L989-D993 PolarHBondContact O-N 3.34Å; L989-L1109 HydrophobicContact CD2-CD1 3.63Å; L989-L1109 HydrophobicContact CG-CD1 4.15Å
990	F	93.8	Very high	91.8	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.009	26%	0.259	C	S	.	.	H	α-helix	trans	-56.2	-46	177.2	171.8	-105.4	0	0	0	112.4	L773 L776 F986 Q987 K994 Y1023	L773-F990 HydrophobicContact CB-CB 4.46Å; L773-F990 HydrophobicContact CB-CD2 3.99Å; L773-F990 HydrophobicContact CD1-CB 4.02Å; L776-F990 HydrophobicContact CD1-CB 3.99Å; L776-F990 HydrophobicContact CD1-CD1 3.42Å; L776-F990 VanDerWaalsContact CD1-CD1 3.42Å; L776-F990 HydrophobicContact CD1-CE1 3.96Å; L776-F990 HydrophobicContact CD1-CG 3.8Å; L776-F990 HydrophobicContact CG-CB 4.24Å; L776-F990 HydrophobicContact CG-CD1 3.85Å; L776-F990 HydrophobicContact CG-CD2 4.33Å; L776-F990 HydrophobicContact CG-CE1 4.17Å; L776-F990 HydrophobicContact CG-CG 3.89Å; F986-F990 WeakPolarHBondContact O-CB 3.44Å; F986-F990 PolarHBondContact O-N 3.4Å; Q987-F990 PolarHBondContact O-N 2.83Å; F990-K994 HydrophobicContact CE1-CD 4.47Å; F990-K994 VanDerWaalsContact CE2-CE 3.42Å; F990-K994 HydrophobicContact CZ-CD 4.38Å; F990-Y1023 HydrophobicContact CE1-CE1 4.18Å
991	F	94.4	Very high	91.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-74.8	-28.7	176.9	-70.2	-68.9	0	0	0	112.8	L776 Q987 A988 L989 D993 K994 R1001 Y1023 I1025 I1099 V1101 I1111	L776-F991 HydrophobicContact CD1-CE2 4.21Å; Q987-F991 WeakPolarHBondContact O-CD2 3.37Å; Q987-F991 PolarHBondContact O-N 3.2Å; A988-F991 PolarHBondContact O-N 2.9Å; L989-F991 VanDerWaalsContact C-N 3.33Å; L989-F991 PolarHBondContact O-N 3.48Å; F991-D993 VanDerWaalsContact C-N 3.31Å; F991-D993 PolarHBondContact O-N 3.48Å; F991-K994 PolarHBondContact O-N 3.14Å; F991-R1001 HydrophobicContact CD1-CG 3.95Å; F991-R1001 PolarHBondContact O-NH2 3.08Å; F991-Y1023 HydrophobicContact CE1-CE2 4.12Å; F991-Y1023 HydrophobicContact CE2-CD2 4.44Å; F991-Y1023 HydrophobicContact CE2-CG 4.45Å; F991-Y1023 HydrophobicContact CZ-CD1 4.21Å; F991-Y1023 AromaticContact CZ-CD2 3.64Å; F991-Y1023 HydrophobicContact CZ-CD2 3.64Å; F991-Y1023 HydrophobicContact CZ-CE1 4.21Å; F991-Y1023 AromaticContact CZ-CE2 3.63Å; F991-Y1023 HydrophobicContact CZ-CE2 3.63Å; F991-Y1023 AromaticContact CZ-CG 3.91Å; F991-Y1023 HydrophobicContact CZ-CG 3.91Å; F991-Y1023 AromaticContact CZ-CZ 3.91Å; F991-I1025 HydrophobicContact CD2-CD1 4.34Å; F991-I1025 HydrophobicContact CE2-CD1 3.54Å; F991-I1025 HydrophobicContact CZ-CD1 4.3Å; F991-I1099 HydrophobicContact CB-CG2 4.44Å; F991-I1099 HydrophobicContact CD1-CB 4.35Å; F991-I1099 HydrophobicContact CD1-CG2 4.02Å; F991-I1099 HydrophobicContact CD2-CG2 3.68Å; F991-I1099 HydrophobicContact CE1-CB 4.32Å; F991-I1099 HydrophobicContact CE1-CD1 3.96Å; F991-I1099 HydrophobicContact CE1-CG2 4.22Å; F991-I1099 HydrophobicContact CE2-CD1 4.01Å; F991-I1099 HydrophobicContact CE2-CG2 3.93Å; F991-I1099 HydrophobicContact CG-CG2 3.76Å; F991-I1099 HydrophobicContact CZ-CD1 3.55Å; F991-I1099 HydrophobicContact CZ-CG2 4.19Å; F991-V1101 HydrophobicContact CB-CG2 3.63Å; F991-I1111 HydrophobicContact CD2-CD1 4.46Å
992	K	91	Very high	91.7	Very high	82 Å²	82	47.5 Å²	47.5	36%	0.357	25%	0.254	S	S	.	.	H	α-helix	trans	-63.4	-38.4	175.9	-175.2	173.2	178.6	160.5	0	111.7	A988 L989 K994 V1101 E1103 L1109	A988-K992 WeakPolarHBondContact O-CB 3.47Å; A988-K992 PolarHBondContact O-N 3.35Å; L989-K992 WeakPolarHBondContact O-CB 3.11Å; L989-K992 PolarHBondContact O-N 2.83Å; L989-K992 VanDerWaalsContact O-N 3.08Å; K992-K994 PolarHBondContact O-N 2.9Å; K992-V1101 HydrophobicContact CB-CG1 4.48Å; K992-V1101 HydrophobicContact CB-CG2 4.34Å; K992-E1103 WeakPolarHBondContact CE-OE1 3.3Å; K992-E1103 IonicContact NZ-OE1 2.64Å; K992-E1103 PolarHBondContact NZ-OE1 2.72Å; K992-E1103 IonicContact NZ-OE2 2.84Å; K992-E1103 PolarHBondContact NZ-OE2 3.33Å; K992-L1109 HydrophobicContact CD-CD1 4.29Å
993	D	89.8	Confident	91.5	Very high	95 Å²	95	48.2 Å²	48.2	51%	0.508	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-10.4	178.6	-73.5	-6.8	0	0	0	113.7	L989 F991	L989-D993 PolarHBondContact O-N 3.34Å; F991-D993 VanDerWaalsContact C-N 3.31Å; F991-D993 PolarHBondContact O-N 3.48Å
994	K	90.7	Very high	91.5	Very high	48 Å²	48	50.5 Å²	50.5	21%	0.209	27%	0.268	C	S	.	.	S	Bend	trans	-99.1	148.5	178.9	-65.4	-168	-179	-161.3	0	112.2	F990 F991 K992 D998 S1000 R1001	F990-K994 HydrophobicContact CE1-CD 4.47Å; F990-K994 VanDerWaalsContact CE2-CE 3.42Å; F990-K994 HydrophobicContact CZ-CD 4.38Å; F991-K994 PolarHBondContact O-N 3.14Å; K992-K994 PolarHBondContact O-N 2.9Å; K994-D998 HydrophobicContact CB-CB 4.05Å; K994-S1000 WeakPolarHBondContact CD-OG 3.27Å; K994-S1000 PolarHBondContact NZ-OG 2.77Å; K994-R1001 PolarHBondContact O-NH2 3.41Å
995	A	90.2	Very high	91.5	Very high	57 Å²	57	46 Å²	46	47%	0.471	25%	0.247	S	C	.	.			trans	-60.1	153.2	174	0	0	0	0	0	111.8	D997 D998 R1001	A995-D997 WeakPolarHBondContact CB-OD1 3.47Å; A995-D997 PolarHBondContact O-N 2.93Å; A995-D998 WeakPolarHBondContact O-CB 3.29Å; A995-D998 PolarHBondContact O-N 3.48Å; A995-D998 VanDerWaalsContact O-N 3.07Å; A995-R1001 VanDerWaalsContact O-CD 3.26Å; A995-R1001 WeakPolarHBondContact O-CD 3.48Å; A995-R1001 PolarHBondContact O-NE 2.9Å
996	V	86.1	Confident	91.4	Very high	92 Å²	92	45.4 Å²	45.4	56%	0.558	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-24.5	-174.3	176	0	0	0	0	112.9	K1098	V996-K1098 WeakPolarHBondContact O-CE 3.44Å; V996-K1098 PolarHBondContact O-NZ 3.11Å
997	D	86.3	Confident	91.3	Very high	124 Å²	124	45.2 Å²	45.2	66%	0.663	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.7	7.1	178.3	60.9	-36.5	0	0	0	113.1	A995	A995-D997 WeakPolarHBondContact CB-OD1 3.47Å; A995-D997 PolarHBondContact O-N 2.93Å
998	D	90.5	Very high	90.9	Very high	46 Å²	46	45 Å²	45	25%	0.246	24%	0.242	C	C	.	.			trans	-58.9	131.2	179.3	-174.7	-80.2	0	0	0	111.4	K994 A995 S1000 R1001	K994-D998 HydrophobicContact CB-CB 4.05Å; A995-D998 WeakPolarHBondContact O-CB 3.29Å; A995-D998 PolarHBondContact O-N 3.48Å; A995-D998 VanDerWaalsContact O-N 3.07Å; D998-S1000 PolarHBondContact O-N 3.38Å; D998-S1000 VanDerWaalsContact O-N 3.1Å; D998-S1000 WeakPolarHBondContact OD1-CA 3.46Å; D998-S1000 WeakPolarHBondContact OD1-CB 3.31Å; D998-S1000 PolarHBondContact OD1-N 2.78Å; D998-S1000 PolarHBondContact OD1-OG 2.68Å; D998-R1001 HydrophobicContact CB-CG 4.48Å; D998-R1001 WeakPolarHBondContact O-CB 3.49Å; D998-R1001 PolarHBondContact O-N 2.72Å
999	P	89.6	Confident	90.6	Very high	105 Å²	105	47.1 Å²	47.1	68%	0.682	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-56.2	-30.8	-177.3	-27.4	34.6	0	0	0	114.1	R1001 Y1002	P999-R1001 PolarHBondContact O-N 3.02Å; P999-Y1002 PolarHBondContact O-N 2.86Å
1000	S	88.8	Confident	90.3	Very high	20 Å²	20	45.6 Å²	45.6	14%	0.14	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-68.8	-16.3	-178.9	72.5	0	0	0	0	113.9	K994 D998 Y1002 Y1023	K994-S1000 WeakPolarHBondContact CD-OG 3.27Å; K994-S1000 PolarHBondContact NZ-OG 2.77Å; D998-S1000 PolarHBondContact O-N 3.38Å; D998-S1000 VanDerWaalsContact O-N 3.1Å; D998-S1000 WeakPolarHBondContact OD1-CA 3.46Å; D998-S1000 WeakPolarHBondContact OD1-CB 3.31Å; D998-S1000 PolarHBondContact OD1-N 2.78Å; D998-S1000 PolarHBondContact OD1-OG 2.68Å; S1000-Y1002 VanDerWaalsContact C-N 3.29Å; S1000-Y1023 WeakPolarHBondContact CB-OH 3.42Å; S1000-Y1023 WeakPolarHBondContact O-CE2 3.47Å; S1000-Y1023 PolarHBondContact O-OH 3.44Å
1001	R	91.7	Very high	89.9	Confident	13 Å²	13	47.5 Å²	47.5	5%	0.049	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-74.4	-19.2	171.7	-68.2	178.7	173.6	-122.3	11.1	112.6	F991 K994 A995 D998 P999 K1098 I1099	F991-R1001 HydrophobicContact CD1-CG 3.95Å; F991-R1001 PolarHBondContact O-NH2 3.08Å; K994-R1001 PolarHBondContact O-NH2 3.41Å; A995-R1001 VanDerWaalsContact O-CD 3.26Å; A995-R1001 WeakPolarHBondContact O-CD 3.48Å; A995-R1001 PolarHBondContact O-NE 2.9Å; D998-R1001 HydrophobicContact CB-CG 4.48Å; D998-R1001 WeakPolarHBondContact O-CB 3.49Å; D998-R1001 PolarHBondContact O-N 2.72Å; P999-R1001 PolarHBondContact O-N 3.02Å; R1001-K1098 CarbonylContact O-C 3.58Å; R1001-K1098 WeakPolarHBondContact O-CA 3.5Å; R1001-I1099 PolarHBondContact NH1-O 2.89Å; R1001-I1099 PolarHBondContact O-N 3.39Å
1002	Y	92.6	Very high	89.2	Confident	107 Å²	107	47.7 Å²	47.7	42%	0.42	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	118.4	177.7	-65	-93.8	0	0	0	109.2	P999 S1000 L1097 K1098 V1116	P999-Y1002 PolarHBondContact O-N 2.86Å; S1000-Y1002 VanDerWaalsContact C-N 3.29Å; Y1002-L1097 WeakPolarHBondContact CA-O 3.5Å; Y1002-K1098 HydrophobicContact CD1-CB 4.36Å; Y1002-K1098 HydrophobicContact CE1-CB 4.22Å; Y1002-K1098 HydrophobicContact CE1-CD 4.06Å; Y1002-K1098 HydrophobicContact CE1-CG 4.22Å; Y1002-K1098 PolarHBondContact OH-NZ 3Å; Y1002-V1116 HydrophobicContact CD1-CG2 4.21Å; Y1002-V1116 HydrophobicContact CE1-CG1 4.29Å
1003	T	91.6	Very high	88.7	Confident	17 Å²	17	46.8 Å²	46.8	10%	0.104	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	155.6	-175.1	-175.2	0	0	0	0	111.3	V1020 Y1023 L1097 I1099	T1003-V1020 HydrophobicContact CG2-CB 4.48Å; T1003-V1020 HydrophobicContact CG2-CG1 3.42Å; T1003-V1020 VanDerWaalsContact CG2-CG1 3.42Å; T1003-V1020 HydrophobicContact CG2-CG2 4.2Å; T1003-Y1023 HydrophobicContact CG2-CE2 4.47Å; T1003-L1097 PolarHBondContact N-O 2.86Å; T1003-L1097 PolarHBondContact O-N 2.95Å; T1003-I1099 HydrophobicContact CG2-CD1 3.8Å; T1003-I1099 HydrophobicContact CG2-CG1 4.13Å
1004	E	91.8	Very high	88.5	Confident	93 Å²	93	43.8 Å²	43.8	44%	0.435	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	142.4	168.4	-171	165.4	-143.7	0	0	110.3	H1094 V1095 L1096	E1004-H1094 VanDerWaalsContact CD-ND1 3.33Å; E1004-H1094 HydrophobicContact CG-CB 4.1Å; E1004-H1094 VanDerWaalsContact OE1-CB 3.27Å; E1004-H1094 WeakPolarHBondContact OE1-CB 3.46Å; E1004-H1094 IonicContact OE1-CG 3.14Å; E1004-H1094 IonicContact OE1-ND1 2.73Å; E1004-H1094 PolarHBondContact OE1-ND1 3.21Å; E1004-H1094 VanDerWaalsContact OE1-ND1 3.16Å; E1004-V1095 CarbonylContact C-O 3.53Å; E1004-V1095 WeakPolarHBondContact CA-O 3.08Å; E1004-L1096 HydrophobicContact CB-CD2 4.47Å
1005	G	92.7	Very high	88.4	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	159.3	172.4	0	0	0	0	0	111	F1019 H1094 V1095	G1005-F1019 CarbonylContact C-O 3.53Å; G1005-F1019 WeakPolarHBondContact CA-O 3.37Å; G1005-H1094 CarbonylContact O-C 3.55Å; G1005-H1094 WeakPolarHBondContact O-CA 3.42Å; G1005-V1095 PolarHBondContact N-O 3.32Å; G1005-V1095 VanDerWaalsContact O-CG2 3.25Å; G1005-V1095 WeakPolarHBondContact O-CG2 3.45Å; G1005-V1095 PolarHBondContact O-N 3.12Å
1006	I	92.3	Very high	88.5	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	130.4	-174.9	-61.5	171.1	0	0	0	109.2	E860 V864 C1008 A1018 F1019 P1021 F1092	E860-I1006 HydrophobicContact CB-CD1 3.55Å; V864-I1006 HydrophobicContact CG1-CG2 4.49Å; V864-I1006 HydrophobicContact CG2-CB 4.29Å; V864-I1006 HydrophobicContact CG2-CD1 3.88Å; V864-I1006 HydrophobicContact CG2-CG2 4.26Å; I1006-C1008 PolarHBondContact O-N 3.47Å; I1006-C1008 PolarHBondContact O-SG 3.46Å; I1006-A1018 CarbonylContact O-C 3.57Å; I1006-A1018 VanDerWaalsContact O-CA 3.31Å; I1006-A1018 WeakPolarHBondContact O-CA 3.5Å; I1006-F1019 PolarHBondContact N-O 2.9Å; I1006-F1019 PolarHBondContact O-N 2.71Å; I1006-P1021 HydrophobicContact CD1-CG 4.16Å; I1006-F1092 HydrophobicContact CG2-CB 4.48Å; I1006-F1092 HydrophobicContact CG2-CD1 4.42Å
1007	I	91.7	Very high	88.8	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	115.2	176.3	-61.5	-175.8	0	0	0	109.9	L1010 F1016 Y1089 M1091 F1092 D1093 V1095	I1007-L1010 HydrophobicContact CG2-CD2 3.86Å; I1007-F1016 HydrophobicContact CB-CD2 4.49Å; I1007-F1016 HydrophobicContact CD1-CD1 3.95Å; I1007-F1016 HydrophobicContact CD1-CD2 4.05Å; I1007-F1016 HydrophobicContact CD1-CE1 3.97Å; I1007-F1016 HydrophobicContact CD1-CE2 4.06Å; I1007-F1016 HydrophobicContact CD1-CG 3.99Å; I1007-F1016 HydrophobicContact CD1-CZ 4.02Å; I1007-F1016 HydrophobicContact CG1-CD2 3.73Å; I1007-F1016 HydrophobicContact CG1-CE2 3.83Å; I1007-F1016 HydrophobicContact CG1-CG 4.11Å; I1007-F1016 HydrophobicContact CG1-CZ 4.28Å; I1007-F1016 HydrophobicContact CG2-CB 3.96Å; I1007-F1016 HydrophobicContact CG2-CD2 4.32Å; I1007-F1016 HydrophobicContact CG2-CG 4.19Å; I1007-Y1089 HydrophobicContact CD1-CD1 4.12Å; I1007-M1091 HydrophobicContact CG2-SD 4.32Å; I1007-F1092 WeakPolarHBondContact O-CA 3.27Å; I1007-F1092 PolarHBondContact O-N 3.07Å; I1007-D1093 HydrophobicContact CD1-CB 4.26Å; I1007-D1093 PolarHBondContact N-O 3.4Å; I1007-V1095 HydrophobicContact CD1-CG1 3.89Å; I1007-V1095 HydrophobicContact CG1-CG1 4.03Å; I1007-V1095 HydrophobicContact CG1-CG2 4.31Å
1008	C	87.5	Confident	89.1	Confident	6 Å²	6	29.2 Å²	29.2	4%	0.041	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	-14.8	-176.1	-66	0	0	0	0	113.9	V864 L868 I1006 I1017 F1019 M1091	V864-C1008 HydrophobicContact CG1-CB 4.45Å; V864-C1008 WeakPolarHBondContact CG1-SG 3.32Å; L868-C1008 HydrophobicContact CD2-CB 4.42Å; I1006-C1008 PolarHBondContact O-N 3.47Å; I1006-C1008 PolarHBondContact O-SG 3.46Å; C1008-I1017 PolarHBondContact N-O 3.06Å; C1008-F1019 WeakPolarHBondContact SG-CB 3.11Å; C1008-M1091 WeakPolarHBondContact O-CE 3.44Å
1009	Q	87.1	Confident	89.2	Confident	45 Å²	45	27.7 Å²	27.7	21%	0.21	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	130.6	178.2	-170.6	175	-25.1	0	0	110.5	F1016 I1017 M1091	Q1009-F1016 CarbonylContact O-C 3.47Å; Q1009-F1016 VanDerWaalsContact O-CA 3.28Å; Q1009-F1016 WeakPolarHBondContact O-CA 3.37Å; Q1009-F1016 VanDerWaalsContact O-CB 3.32Å; Q1009-F1016 WeakPolarHBondContact O-CB 3.27Å; Q1009-I1017 HydrophobicContact CB-CB 4.08Å; Q1009-I1017 HydrophobicContact CB-CD1 4.26Å; Q1009-I1017 HydrophobicContact CB-CG1 4.31Å; Q1009-I1017 PolarHBondContact N-O 3.04Å; Q1009-I1017 PolarHBondContact O-N 3.16Å; Q1009-M1091 VanDerWaalsContact CA-SD 3.56Å
1010	L	86.9	Confident	89.4	Confident	5 Å²	5	22.7 Å²	22.7	3%	0.026	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	138.4	170.7	-60.1	178.9	0	0	0	110.9	I1007 F1016 G1074 L1076 M1091	I1007-L1010 HydrophobicContact CG2-CD2 3.86Å; L1010-F1016 HydrophobicContact CD2-CB 4.03Å; L1010-G1074 WeakPolarHBondContact CD1-O 3.29Å; L1010-L1076 HydrophobicContact CD2-CB 4.37Å; L1010-M1091 HydrophobicContact CD1-CG 4.46Å; L1010-M1091 HydrophobicContact CG-CG 4.28Å; L1010-M1091 HydrophobicContact CG-SD 4.15Å
1011	R	84.9	Confident	89.3	Confident	41 Å²	41	22.8 Å²	22.8	16%	0.155	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	109.8	-176.7	-64.9	-71.2	-100.2	152.4	-10.4	110.3	S351 I353 E357 T1013 G1015 I1017	S351-R1011 CarbonylContact O-C 3.59Å; I353-R1011 HydrophobicContact CD1-CB 3.94Å; I353-R1011 HydrophobicContact CD1-CG 4.24Å; I353-R1011 HydrophobicContact CG1-CB 3.45Å; I353-R1011 VanDerWaalsContact CG1-CB 3.45Å; I353-R1011 HydrophobicContact CG1-CG 3.83Å; E357-R1011 IonicContact OE1-CZ 3.9Å; E357-R1011 VanDerWaalsContact OE1-CZ 3.26Å; E357-R1011 IonicContact OE1-NE 3.3Å; E357-R1011 PolarHBondContact OE1-NE 3.05Å; E357-R1011 IonicContact OE1-NH2 2.87Å; E357-R1011 PolarHBondContact OE1-NH2 3.26Å; E357-R1011 IonicContact OE2-CZ 3.08Å; E357-R1011 IonicContact OE2-NE 3.96Å; E357-R1011 IonicContact OE2-NH2 2.63Å; E357-R1011 PolarHBondContact OE2-NH2 2.86Å; R1011-T1013 PolarHBondContact O-N 2.83Å; R1011-G1015 PolarHBondContact N-O 2.84Å; R1011-G1015 PolarHBondContact O-N 2.97Å; R1011-I1017 HydrophobicContact CG-CD1 4.26Å; R1011-I1017 HydrophobicContact CG-CG1 3.84Å
1012	G	79.4	Confident	89.2	Confident	5 Å²	5	28.6 Å²	28.6	5%	0.052	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.4	-128.6	175.8	0	0	0	0	0	113.6	S351 D352	S351-G1012 PolarHBondContact O-N 3.03Å; S351-G1012 VanDerWaalsContact O-N 3.11Å; S351-G1012 WeakPolarHBondContact OG-CA 3.41Å; D352-G1012 VanDerWaalsContact OD1-CA 3.24Å; D352-G1012 WeakPolarHBondContact OD1-CA 3.45Å
1013	T	80.9	Confident	89.2	Confident	63 Å²	63	23.6 Å²	23.6	39%	0.387	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.8	13.7	178.4	59	0	0	0	0	113.6	D352 R1011 I1062	D352-T1013 PolarHBondContact OD1-N 3.34Å; R1011-T1013 PolarHBondContact O-N 2.83Å; T1013-I1062 WeakPolarHBondContact O-CG2 3.47Å
1014	N	85.3	Confident	89.1	Confident	31 Å²	31	23.8 Å²	23.8	17%	0.166	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.5	-1.5	-176.3	76.4	-21.9	0	0	0	115.8	D352 I353 I1031	D352-N1014 WeakPolarHBondContact CA-OD1 3.31Å; D352-N1014 WeakPolarHBondContact CB-OD1 3.41Å; I353-N1014 PolarHBondContact N-ND2 3.43Å; I353-N1014 PolarHBondContact N-OD1 3.2Å; I353-N1014 PolarHBondContact O-ND2 3.13Å; N1014-I1031 PolarHBondContact O-N 3.36Å
1015	G	89.3	Confident	89.1	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165	-151.5	170.2	0	0	0	0	0	115.4	R1011 V1029	R1011-G1015 PolarHBondContact N-O 2.84Å; R1011-G1015 PolarHBondContact O-N 2.97Å; G1015-V1029 WeakPolarHBondContact CA-O 3.36Å
1016	F	92.1	Very high	89	Confident	0 Å²	0	24 Å²	24	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	169.8	-174.8	52.4	-98.6	0	0	0	112.3	I1007 Q1009 L1010 A1018 V1029 I1031 Y1089 V1095 L1115	I1007-F1016 HydrophobicContact CB-CD2 4.49Å; I1007-F1016 HydrophobicContact CD1-CD1 3.95Å; I1007-F1016 HydrophobicContact CD1-CD2 4.05Å; I1007-F1016 HydrophobicContact CD1-CE1 3.97Å; I1007-F1016 HydrophobicContact CD1-CE2 4.06Å; I1007-F1016 HydrophobicContact CD1-CG 3.99Å; I1007-F1016 HydrophobicContact CD1-CZ 4.02Å; I1007-F1016 HydrophobicContact CG1-CD2 3.73Å; I1007-F1016 HydrophobicContact CG1-CE2 3.83Å; I1007-F1016 HydrophobicContact CG1-CG 4.11Å; I1007-F1016 HydrophobicContact CG1-CZ 4.28Å; I1007-F1016 HydrophobicContact CG2-CB 3.96Å; I1007-F1016 HydrophobicContact CG2-CD2 4.32Å; I1007-F1016 HydrophobicContact CG2-CG 4.19Å; Q1009-F1016 CarbonylContact O-C 3.47Å; Q1009-F1016 VanDerWaalsContact O-CA 3.28Å; Q1009-F1016 WeakPolarHBondContact O-CA 3.37Å; Q1009-F1016 VanDerWaalsContact O-CB 3.32Å; Q1009-F1016 WeakPolarHBondContact O-CB 3.27Å; L1010-F1016 HydrophobicContact CD2-CB 4.03Å; F1016-A1018 HydrophobicContact CD2-CB 4.26Å; F1016-A1018 HydrophobicContact CE2-CB 4.15Å; F1016-V1029 HydrophobicContact CD2-CB 3.98Å; F1016-V1029 HydrophobicContact CD2-CG2 4.39Å; F1016-V1029 HydrophobicContact CE2-CB 3.6Å; F1016-V1029 HydrophobicContact CE2-CG1 3.85Å; F1016-V1029 HydrophobicContact CE2-CG2 3.93Å; F1016-V1029 HydrophobicContact CZ-CB 4.05Å; F1016-V1029 HydrophobicContact CZ-CG1 3.81Å; F1016-V1029 PolarHBondContact N-O 3.41Å; F1016-V1029 PolarHBondContact O-N 3.3Å; F1016-I1031 HydrophobicContact CD1-CD1 4.02Å; F1016-I1031 HydrophobicContact CD1-CG1 4.36Å; F1016-I1031 HydrophobicContact CE1-CD1 3.85Å; F1016-I1031 HydrophobicContact CE1-CG1 3.99Å; F1016-Y1089 HydrophobicContact CD1-CD1 4.37Å; F1016-Y1089 AromaticContact CE1-CD1 3.6Å; F1016-Y1089 HydrophobicContact CE1-CD1 3.6Å; F1016-Y1089 HydrophobicContact CE1-CE1 4.05Å; F1016-Y1089 HydrophobicContact CE1-CG 4.11Å; F1016-Y1089 HydrophobicContact CZ-CD1 4.24Å; F1016-V1095 HydrophobicContact CE2-CG1 4.44Å; F1016-V1095 HydrophobicContact CE2-CG2 4.1Å; F1016-V1095 HydrophobicContact CZ-CG1 4.05Å; F1016-V1095 HydrophobicContact CZ-CG2 4.41Å; F1016-L1115 HydrophobicContact CZ-CD1 4.27Å
1017	I	91.8	Very high	88.9	Confident	16 Å²	16	24.5 Å²	24.5	8%	0.082	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	125.4	169.2	-54.8	179.6	0	0	0	107.9	C1008 Q1009 R1011 K1026 G1027	C1008-I1017 PolarHBondContact N-O 3.06Å; Q1009-I1017 HydrophobicContact CB-CB 4.08Å; Q1009-I1017 HydrophobicContact CB-CD1 4.26Å; Q1009-I1017 HydrophobicContact CB-CG1 4.31Å; Q1009-I1017 PolarHBondContact N-O 3.04Å; Q1009-I1017 PolarHBondContact O-N 3.16Å; R1011-I1017 HydrophobicContact CG-CD1 4.26Å; R1011-I1017 HydrophobicContact CG-CG1 3.84Å; I1017-K1026 HydrophobicContact CG2-CD 4.15Å; I1017-K1026 VanDerWaalsContact CG2-CE 3.41Å; I1017-K1026 HydrophobicContact CG2-CG 3.61Å; I1017-G1027 WeakPolarHBondContact CA-O 3.31Å; I1017-G1027 WeakPolarHBondContact CG2-O 3.4Å
1018	A	93.3	Very high	88.9	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	147.5	176.1	0	0	0	0	0	111.2	I1006 F1016 K1026 G1027 V1029 V1095 L1097	I1006-A1018 CarbonylContact O-C 3.57Å; I1006-A1018 VanDerWaalsContact O-CA 3.31Å; I1006-A1018 WeakPolarHBondContact O-CA 3.5Å; F1016-A1018 HydrophobicContact CD2-CB 4.26Å; F1016-A1018 HydrophobicContact CE2-CB 4.15Å; A1018-K1026 WeakPolarHBondContact O-CA 3.29Å; A1018-G1027 PolarHBondContact N-O 3.41Å; A1018-G1027 PolarHBondContact O-N 3.3Å; A1018-V1029 HydrophobicContact CB-CG2 4.04Å; A1018-V1095 HydrophobicContact CB-CG2 4.42Å; A1018-L1097 HydrophobicContact CB-CD1 3.56Å
1019	F	92.6	Very high	89.2	Confident	14 Å²	14	24.7 Å²	24.7	6%	0.061	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	135.7	169	176.9	-111.3	0	0	0	109.2	V757 V864 Q867 G1005 I1006 C1008 P1021 I1025 K1026	V757-F1019 HydrophobicContact CB-CZ 4.05Å; V757-F1019 HydrophobicContact CG1-CZ 4.41Å; V757-F1019 HydrophobicContact CG2-CE1 4.42Å; V757-F1019 HydrophobicContact CG2-CZ 4.07Å; V864-F1019 HydrophobicContact CG2-CD1 3.74Å; V864-F1019 HydrophobicContact CG2-CE1 4.36Å; Q867-F1019 VanDerWaalsContact NE2-CZ 3.3Å; G1005-F1019 CarbonylContact C-O 3.53Å; G1005-F1019 WeakPolarHBondContact CA-O 3.37Å; I1006-F1019 PolarHBondContact N-O 2.9Å; I1006-F1019 PolarHBondContact O-N 2.71Å; C1008-F1019 WeakPolarHBondContact SG-CB 3.11Å; F1019-P1021 HydrophobicContact CD1-CB 4.4Å; F1019-P1021 HydrophobicContact CD1-CG 3.86Å; F1019-P1021 VanDerWaalsContact CE1-CA 3.48Å; F1019-P1021 HydrophobicContact CE1-CB 3.88Å; F1019-P1021 HydrophobicContact CE1-CG 3.84Å; F1019-P1021 WeakPolarHBondContact O-CD 3.02Å; F1019-I1025 CarbonylContact C-O 3.44Å; F1019-I1025 WeakPolarHBondContact CA-O 3.39Å; F1019-I1025 WeakPolarHBondContact CD2-O 3.03Å; F1019-K1026 HydrophobicContact CD2-CB 4.34Å
1020	V	92.7	Very high	89.3	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	98.4	178.6	176.7	0	0	0	0	107.5	T1003 R1022 Y1023 G1024 I1025 L1097 I1099 L1113	T1003-V1020 HydrophobicContact CG2-CB 4.48Å; T1003-V1020 HydrophobicContact CG2-CG1 3.42Å; T1003-V1020 VanDerWaalsContact CG2-CG1 3.42Å; T1003-V1020 HydrophobicContact CG2-CG2 4.2Å; V1020-R1022 VanDerWaalsContact C-N 3.35Å; V1020-R1022 PolarHBondContact O-N 2.8Å; V1020-Y1023 HydrophobicContact CG1-CD2 3.91Å; V1020-Y1023 PolarHBondContact O-N 3.45Å; V1020-G1024 PolarHBondContact O-N 2.9Å; V1020-I1025 HydrophobicContact CB-CB 4.22Å; V1020-I1025 PolarHBondContact N-O 2.73Å; V1020-I1025 PolarHBondContact O-N 2.71Å; V1020-L1097 HydrophobicContact CG2-CD1 4.08Å; V1020-I1099 HydrophobicContact CG1-CD1 4.46Å; V1020-L1113 HydrophobicContact CG2-CD1 4.19Å; V1020-L1113 HydrophobicContact CG2-CD2 4.38Å
1021	P	88.2	Confident	89.3	Confident	21 Å²	21	23 Å²	23	14%	0.136	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-60	-41.4	-172.5	-24.5	33.6	0	0	0	113.8	E860 I1006 F1019 Y1023 G1024	E860-P1021 WeakPolarHBondContact OE2-CB 3.23Å; I1006-P1021 HydrophobicContact CD1-CG 4.16Å; F1019-P1021 HydrophobicContact CD1-CB 4.4Å; F1019-P1021 HydrophobicContact CD1-CG 3.86Å; F1019-P1021 VanDerWaalsContact CE1-CA 3.48Å; F1019-P1021 HydrophobicContact CE1-CB 3.88Å; F1019-P1021 HydrophobicContact CE1-CG 3.84Å; F1019-P1021 WeakPolarHBondContact O-CD 3.02Å; P1021-Y1023 PolarHBondContact O-N 3.46Å; P1021-Y1023 VanDerWaalsContact O-N 3.12Å; P1021-G1024 PolarHBondContact O-N 3.29Å
1022	R	89.7	Confident	89.1	Confident	136 Å²	136	24.6 Å²	24.6	51%	0.513	13%	0.127	S	C	.	.	G	3₁₀ helix	trans	-52.1	-38.7	-177.7	-178.6	177.7	176.8	117.9	8	113.3	P778 V1020	P778-R1022 WeakPolarHBondContact CD-O 3.48Å; V1020-R1022 VanDerWaalsContact C-N 3.35Å; V1020-R1022 PolarHBondContact O-N 2.8Å
1023	Y	91.8	Very high	88.9	Confident	1 Å²	1	26.2 Å²	26.2	0%	0.004	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-116.1	2.3	-174.5	-57.4	-58.1	0	0	0	113.1	L776 Q987 F990 F991 S1000 T1003 V1020 P1021 I1025 I1099	L776-Y1023 HydrophobicContact CB-CD1 3.9Å; L776-Y1023 HydrophobicContact CD1-CD1 4.24Å; Q987-Y1023 PolarHBondContact NE2-O 3.32Å; F990-Y1023 HydrophobicContact CE1-CE1 4.18Å; F991-Y1023 HydrophobicContact CE1-CE2 4.12Å; F991-Y1023 HydrophobicContact CE2-CD2 4.44Å; F991-Y1023 HydrophobicContact CE2-CG 4.45Å; F991-Y1023 HydrophobicContact CZ-CD1 4.21Å; F991-Y1023 AromaticContact CZ-CD2 3.64Å; F991-Y1023 HydrophobicContact CZ-CD2 3.64Å; F991-Y1023 HydrophobicContact CZ-CE1 4.21Å; F991-Y1023 AromaticContact CZ-CE2 3.63Å; F991-Y1023 HydrophobicContact CZ-CE2 3.63Å; F991-Y1023 AromaticContact CZ-CG 3.91Å; F991-Y1023 HydrophobicContact CZ-CG 3.91Å; F991-Y1023 AromaticContact CZ-CZ 3.91Å; S1000-Y1023 WeakPolarHBondContact CB-OH 3.42Å; S1000-Y1023 WeakPolarHBondContact O-CE2 3.47Å; S1000-Y1023 PolarHBondContact O-OH 3.44Å; T1003-Y1023 HydrophobicContact CG2-CE2 4.47Å; V1020-Y1023 HydrophobicContact CG1-CD2 3.91Å; V1020-Y1023 PolarHBondContact O-N 3.45Å; P1021-Y1023 PolarHBondContact O-N 3.46Å; P1021-Y1023 VanDerWaalsContact O-N 3.12Å; Y1023-I1025 HydrophobicContact CG-CD1 4.44Å; Y1023-I1025 PolarHBondContact O-N 3.16Å; Y1023-I1099 HydrophobicContact CD2-CD1 3.66Å; Y1023-I1099 HydrophobicContact CE2-CD1 3.96Å
1024	G	89.3	Confident	88.3	Confident	21 Å²	21	27.8 Å²	27.8	22%	0.216	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	28.7	-174.9	0	0	0	0	0	113.8	V1020 P1021	V1020-G1024 PolarHBondContact O-N 2.9Å; P1021-G1024 PolarHBondContact O-N 3.29Å
1025	I	92.1	Very high	87.6	Confident	4 Å²	4	32.1 Å²	32.1	2%	0.021	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	140.5	-176.6	-69.5	165.4	0	0	0	109.8	Q987 F991 F1019 V1020 Y1023 I1099 I1111 L1113	Q987-I1025 HydrophobicContact CB-CD1 4.47Å; Q987-I1025 HydrophobicContact CG-CG1 4.41Å; F991-I1025 HydrophobicContact CD2-CD1 4.34Å; F991-I1025 HydrophobicContact CE2-CD1 3.54Å; F991-I1025 HydrophobicContact CZ-CD1 4.3Å; F1019-I1025 CarbonylContact C-O 3.44Å; F1019-I1025 WeakPolarHBondContact CA-O 3.39Å; F1019-I1025 WeakPolarHBondContact CD2-O 3.03Å; V1020-I1025 HydrophobicContact CB-CB 4.22Å; V1020-I1025 PolarHBondContact N-O 2.73Å; V1020-I1025 PolarHBondContact O-N 2.71Å; Y1023-I1025 HydrophobicContact CG-CD1 4.44Å; Y1023-I1025 PolarHBondContact O-N 3.16Å; I1025-I1099 HydrophobicContact CD1-CD1 4.13Å; I1025-I1111 HydrophobicContact CD1-CD1 3.68Å; I1025-I1111 HydrophobicContact CG1-CD1 4.1Å; I1025-I1111 HydrophobicContact CG2-CG2 3.92Å; I1025-L1113 HydrophobicContact CG2-CD1 4.48Å; I1025-L1113 HydrophobicContact CG2-CD2 4.26Å
1026	K	89.5	Confident	86.8	Confident	94 Å²	94	32.5 Å²	32.5	41%	0.409	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	130.6	171.5	-176.1	174.9	177.9	168.5	0	109.7	R871 I1017 A1018 F1019	R871-K1026 VanDerWaalsContact NH1-NZ 3.11Å; I1017-K1026 HydrophobicContact CG2-CD 4.15Å; I1017-K1026 VanDerWaalsContact CG2-CE 3.41Å; I1017-K1026 HydrophobicContact CG2-CG 3.61Å; A1018-K1026 WeakPolarHBondContact O-CA 3.29Å; F1019-K1026 HydrophobicContact CD2-CB 4.34Å
1027	G	91.2	Very high	86.3	Confident	12 Å²	12	34.6 Å²	34.6	12%	0.124	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	154.8	-176.9	0	0	0	0	0	113	I1017 A1018	I1017-G1027 WeakPolarHBondContact CA-O 3.31Å; I1017-G1027 WeakPolarHBondContact CG2-O 3.4Å; A1018-G1027 PolarHBondContact N-O 3.41Å; A1018-G1027 PolarHBondContact O-N 3.3Å
1028	A	92.6	Very high	85.9	Confident	9 Å²	9	34 Å²	34	7%	0.074	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	141.7	171	0	0	0	0	0	110.1	I353 E357 N358	I353-A1028 HydrophobicContact CD1-CB 4.12Å; I353-A1028 HydrophobicContact CG1-CB 4.41Å; I353-A1028 HydrophobicContact CG2-CB 3.74Å; E357-A1028 HydrophobicContact CG-CB 3.82Å; N358-A1028 PolarHBondContact OD1-O 3.23Å
1029	V	92.5	Very high	85.3	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	117.1	178.6	-179.3	0	0	0	0	107.1	I353 G1015 F1016 A1018 L1097 L1113 L1115	I353-V1029 WeakPolarHBondContact CD1-O 3.42Å; G1015-V1029 WeakPolarHBondContact CA-O 3.36Å; F1016-V1029 HydrophobicContact CD2-CB 3.98Å; F1016-V1029 HydrophobicContact CD2-CG2 4.39Å; F1016-V1029 HydrophobicContact CE2-CB 3.6Å; F1016-V1029 HydrophobicContact CE2-CG1 3.85Å; F1016-V1029 HydrophobicContact CE2-CG2 3.93Å; F1016-V1029 HydrophobicContact CZ-CB 4.05Å; F1016-V1029 HydrophobicContact CZ-CG1 3.81Å; F1016-V1029 PolarHBondContact N-O 3.41Å; F1016-V1029 PolarHBondContact O-N 3.3Å; A1018-V1029 HydrophobicContact CB-CG2 4.04Å; V1029-L1097 HydrophobicContact CG1-CD2 4.15Å; V1029-L1097 HydrophobicContact CG2-CD1 4.33Å; V1029-L1097 HydrophobicContact CG2-CD2 3.88Å; V1029-L1113 HydrophobicContact CG2-CB 3.66Å; V1029-L1113 HydrophobicContact CG2-CD1 4.41Å; V1029-L1115 HydrophobicContact CG1-CB 3.82Å
1030	C	89.4	Confident	84.8	Confident	16 Å²	16	34.8 Å²	34.8	11%	0.108	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	136.4	175.7	-68.4	0	0	0	0	111.1	I353 N358 K1032	I353-C1030 VanDerWaalsContact CG2-SG 3.55Å; N358-C1030 VanDerWaalsContact CG-SG 3.57Å; N358-C1030 PolarHBondContact ND2-SG 3.08Å; C1030-K1032 WeakPolarHBondContact CB-O 3.36Å
1031	I	86.8	Confident	84.3	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	-90.1	-23.4	172.6	-63.9	179.6	0	0	0	110.9	N1014 F1016 I1038 A1039 W1053 I1062 L1076 I1078 Y1089	N1014-I1031 PolarHBondContact O-N 3.36Å; F1016-I1031 HydrophobicContact CD1-CD1 4.02Å; F1016-I1031 HydrophobicContact CD1-CG1 4.36Å; F1016-I1031 HydrophobicContact CE1-CD1 3.85Å; F1016-I1031 HydrophobicContact CE1-CG1 3.99Å; I1031-I1038 HydrophobicContact CG2-CG2 4.35Å; I1031-A1039 HydrophobicContact CG2-CB 4.17Å; I1031-A1039 WeakPolarHBondContact O-CB 3.46Å; I1031-A1039 PolarHBondContact O-N 3.36Å; I1031-W1053 VanDerWaalsContact O-CZ3 3.25Å; I1031-W1053 WeakPolarHBondContact O-CZ3 3.38Å; I1031-I1062 HydrophobicContact CG2-CD1 4.36Å; I1031-L1076 HydrophobicContact CD1-CD2 3.42Å; I1031-L1076 VanDerWaalsContact CD1-CD2 3.42Å; I1031-L1076 HydrophobicContact CD1-CG 4.27Å; I1031-I1078 HydrophobicContact CG2-CD1 3.29Å; I1031-I1078 HydrophobicContact CG2-CG1 4.14Å; I1031-Y1089 HydrophobicContact CD1-CD1 4.44Å; I1031-Y1089 HydrophobicContact CD1-CD2 3.68Å; I1031-Y1089 HydrophobicContact CD1-CE1 4.47Å; I1031-Y1089 HydrophobicContact CD1-CE2 3.76Å; I1031-Y1089 HydrophobicContact CD1-CG 4.05Å
1032	K	80.9	Confident	83.8	Confident	74 Å²	74	35.7 Å²	35.7	32%	0.322	20%	0.195	S	C	.	.	B	Isolated β-bridge	trans	-103.2	123.2	169.4	-170.6	166.1	178.2	147.6	0	108.9	C1030 G1036 H1037 I1038 D1056	C1030-K1032 WeakPolarHBondContact CB-O 3.36Å; K1032-G1036 WeakPolarHBondContact CE-O 3.16Å; K1032-H1037 CarbonylContact C-O 3.54Å; K1032-H1037 VanDerWaalsContact CA-O 3.31Å; K1032-H1037 WeakPolarHBondContact CA-O 3.1Å; K1032-I1038 HydrophobicContact CG-CG1 4.41Å; K1032-D1056 IonicContact NZ-OD1 2.82Å; K1032-D1056 PolarHBondContact NZ-OD1 3.46Å; K1032-D1056 IonicContact NZ-OD2 3.78Å; K1032-D1056 PolarHBondContact NZ-OD2 3.4Å
1033	N	74.4	Confident	83.1	Confident	38 Å²	38	32.9 Å²	32.9	20%	0.203	18%	0.184	C	C	.	.			trans	-76	178.6	177.9	80.6	-4.2	0	0	0	111.1	D1035 G1036 H1037 W1053	N1033-D1035 VanDerWaalsContact C-N 3.3Å; N1033-D1035 PolarHBondContact ND2-OD2 2.81Å; N1033-D1035 PolarHBondContact O-N 2.8Å; N1033-D1035 WeakPolarHBondContact OD1-CA 3.2Å; N1033-D1035 PolarHBondContact OD1-N 3.4Å; N1033-G1036 PolarHBondContact O-N 3.47Å; N1033-G1036 VanDerWaalsContact O-N 3.16Å; N1033-G1036 PolarHBondContact OD1-N 3.12Å; N1033-H1037 PolarHBondContact N-O 3.35Å; N1033-H1037 PolarHBondContact ND2-ND1 3.26Å; N1033-H1037 WeakPolarHBondContact OD1-CA 3.27Å; N1033-H1037 WeakPolarHBondContact OD1-CB 3.27Å; N1033-H1037 PolarHBondContact OD1-N 3.33Å; N1033-H1037 PolarHBondContact OD1-O 3.34Å; N1033-W1053 HydrophobicContact CB-CE3 3.89Å; N1033-W1053 HydrophobicContact CB-CH2 4.14Å; N1033-W1053 HydrophobicContact CB-CZ3 3.64Å
1034	A	69.2	Low	82	Confident	96 Å²	96	38.4 Å²	38.4	79%	0.793	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-30.4	-179.7	0	0	0	0	0	113.6	G1036	A1034-G1036 PolarHBondContact O-N 3.33Å
1035	D	71.1	Confident	80.8	Confident	122 Å²	122	42 Å²	42	65%	0.652	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-6	176.7	-52.1	-48.1	0	0	0	112.8	N1033	N1033-D1035 VanDerWaalsContact C-N 3.3Å; N1033-D1035 PolarHBondContact ND2-OD2 2.81Å; N1033-D1035 PolarHBondContact O-N 2.8Å; N1033-D1035 WeakPolarHBondContact OD1-CA 3.2Å; N1033-D1035 PolarHBondContact OD1-N 3.4Å
1036	G	72.3	Confident	79.6	Confident	9 Å²	9	43.2 Å²	43.2	9%	0.093	25%	0.245	C	C	.	.	S	Bend	trans	88	5.7	-177.7	0	0	0	0	0	115	K1032 N1033 A1034	K1032-G1036 WeakPolarHBondContact CE-O 3.16Å; N1033-G1036 PolarHBondContact O-N 3.47Å; N1033-G1036 VanDerWaalsContact O-N 3.16Å; N1033-G1036 PolarHBondContact OD1-N 3.12Å; A1034-G1036 PolarHBondContact O-N 3.33Å
1037	H	81.3	Confident	78.5	Confident	43 Å²	43	44.3 Å²	44.3	20%	0.199	26%	0.256	C	S	.	.			trans	-70.5	145.8	173.9	-52.1	158	0	0	0	111.3	K1032 N1033 W1053 L1054 Q1055	K1032-H1037 CarbonylContact C-O 3.54Å; K1032-H1037 VanDerWaalsContact CA-O 3.31Å; K1032-H1037 WeakPolarHBondContact CA-O 3.1Å; N1033-H1037 PolarHBondContact N-O 3.35Å; N1033-H1037 PolarHBondContact ND2-ND1 3.26Å; N1033-H1037 WeakPolarHBondContact OD1-CA 3.27Å; N1033-H1037 WeakPolarHBondContact OD1-CB 3.27Å; N1033-H1037 PolarHBondContact OD1-N 3.33Å; N1033-H1037 PolarHBondContact OD1-O 3.34Å; H1037-W1053 HydrophobicContact CB-CB 4.12Å; H1037-W1053 HydrophobicContact CB-CE3 4.29Å; H1037-L1054 CarbonylContact C-O 3.59Å; H1037-L1054 WeakPolarHBondContact CA-O 3.25Å; H1037-L1054 VanDerWaalsContact CB-O 3.27Å; H1037-L1054 WeakPolarHBondContact CB-O 3.42Å; H1037-Q1055 WeakPolarHBondContact CD2-CA 3.25Å
1038	I	82.1	Confident	77.3	Confident	4 Å²	4	46 Å²	46	2%	0.021	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	130.9	-175	-61	171.4	0	0	0	109.3	I1031 K1032 W1040 L1054 I1060 I1062 I1078	I1031-I1038 HydrophobicContact CG2-CG2 4.35Å; K1032-I1038 HydrophobicContact CG-CG1 4.41Å; I1038-W1040 PolarHBondContact O-N 2.87Å; I1038-L1054 PolarHBondContact N-O 3.43Å; I1038-L1054 PolarHBondContact O-N 2.84Å; I1038-I1060 HydrophobicContact CD1-CB 3.85Å; I1038-I1060 HydrophobicContact CD1-CG2 3.62Å; I1038-I1060 HydrophobicContact CG2-CG2 4.11Å; I1038-I1062 HydrophobicContact CD1-CD1 3.96Å; I1038-I1062 HydrophobicContact CD1-CG1 4.17Å; I1038-I1062 HydrophobicContact CG1-CD1 4.02Å; I1038-I1062 HydrophobicContact CG2-CD1 3.86Å; I1038-I1062 HydrophobicContact CG2-CG1 4.35Å; I1038-I1078 HydrophobicContact CG2-CD1 4.25Å; I1038-I1078 HydrophobicContact CG2-CG2 3.87Å
1039	A	82.2	Confident	76.3	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	116.6	175.4	0	0	0	0	0	110.3	I1031 I1051 W1053 I1078 L1115	I1031-A1039 HydrophobicContact CG2-CB 4.17Å; I1031-A1039 WeakPolarHBondContact O-CB 3.46Å; I1031-A1039 PolarHBondContact O-N 3.36Å; A1039-I1051 HydrophobicContact CB-CD1 4.36Å; A1039-I1051 HydrophobicContact CB-CG2 3.58Å; A1039-W1053 HydrophobicContact CB-CD2 4.46Å; A1039-W1053 HydrophobicContact CB-CE3 4.06Å; A1039-W1053 HydrophobicContact CB-CH2 3.87Å; A1039-W1053 HydrophobicContact CB-CZ2 4.28Å; A1039-W1053 HydrophobicContact CB-CZ3 3.75Å; A1039-I1078 VanDerWaalsContact O-CD1 3.31Å; A1039-I1078 WeakPolarHBondContact O-CD1 3.4Å; A1039-L1115 HydrophobicContact CB-CD2 4.37Å
1040	W	82.3	Confident	75.6	Confident	31 Å²	31	49.1 Å²	49.1	12%	0.117	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	122.6	174.5	-174.1	-92.2	0	0	0	110	I1038 D1042 L1052 L1054 I1078 N1080 E1085 Q1087	I1038-W1040 PolarHBondContact O-N 2.87Å; W1040-D1042 PolarHBondContact O-N 3.05Å; W1040-L1052 PolarHBondContact N-O 3.22Å; W1040-L1052 PolarHBondContact O-N 3.33Å; W1040-L1054 HydrophobicContact CB-CD1 3.45Å; W1040-L1054 VanDerWaalsContact CB-CD1 3.45Å; W1040-L1054 HydrophobicContact CB-CG 3.79Å; W1040-L1054 HydrophobicContact CD2-CD1 4.08Å; W1040-L1054 HydrophobicContact CE3-CD1 4.45Å; W1040-L1054 HydrophobicContact CG-CD1 3.67Å; W1040-L1054 HydrophobicContact CG-CG 4.43Å; W1040-I1078 HydrophobicContact CE3-CG2 4.02Å; W1040-I1078 HydrophobicContact CZ3-CG2 4.03Å; W1040-N1080 HydrophobicContact CH2-CB 3.94Å; W1040-N1080 HydrophobicContact CZ3-CB 4.21Å; W1040-E1085 HydrophobicContact CH2-CB 3.76Å; W1040-E1085 HydrophobicContact CZ2-CB 3.81Å; W1040-Q1087 HydrophobicContact CD2-CG 4.43Å; W1040-Q1087 HydrophobicContact CE3-CG 4.2Å; W1040-Q1087 HydrophobicContact CH2-CG 4.08Å; W1040-Q1087 HydrophobicContact CZ2-CG 4.3Å; W1040-Q1087 HydrophobicContact CZ3-CG 4.01Å
1041	V	80.4	Confident	75.2	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.012	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	123.2	179.9	-171.3	0	0	0	0	110.1	Y1043 I1051 Q1087 L1118	V1041-Y1043 HydrophobicContact CB-CE2 4.08Å; V1041-Y1043 HydrophobicContact CG1-CD1 4.28Å; V1041-Y1043 HydrophobicContact CG1-CD2 4.17Å; V1041-Y1043 HydrophobicContact CG1-CE1 3.8Å; V1041-Y1043 HydrophobicContact CG1-CE2 3.65Å; V1041-Y1043 HydrophobicContact CG1-CG 4.46Å; V1041-Y1043 VanDerWaalsContact CG1-CZ 3.47Å; V1041-I1051 HydrophobicContact CB-CD1 4.27Å; V1041-I1051 HydrophobicContact CG2-CD1 3.48Å; V1041-I1051 VanDerWaalsContact CG2-CD1 3.48Å; V1041-Q1087 VanDerWaalsContact N-NE2 3.14Å; V1041-Q1087 PolarHBondContact O-NE2 3.31Å; V1041-L1118 HydrophobicContact CG1-CB 4.18Å; V1041-L1118 HydrophobicContact CG2-CB 3.65Å; V1041-L1118 HydrophobicContact CG2-CD2 4.13Å
1042	D	79.4	Confident	74.9	Confident	38 Å²	38	53.5 Å²	53.5	20%	0.203	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	119.2	170.5	-178.7	12.7	0	0	0	110.8	W1040 T1044 G1049 N1050 L1052	W1040-D1042 PolarHBondContact O-N 3.05Å; D1042-T1044 VanDerWaalsContact OD1-CB 3.29Å; D1042-T1044 WeakPolarHBondContact OD1-CB 3.2Å; D1042-T1044 WeakPolarHBondContact OD1-CG2 3.42Å; D1042-T1044 PolarHBondContact OD1-N 2.88Å; D1042-T1044 PolarHBondContact OD1-OG1 3.05Å; D1042-T1044 PolarHBondContact OD2-OG1 3.42Å; D1042-G1049 CarbonylContact O-C 3.6Å; D1042-G1049 WeakPolarHBondContact O-CA 3.27Å; D1042-N1050 PolarHBondContact N-O 3.33Å; D1042-N1050 PolarHBondContact O-N 3.15Å; D1042-L1052 HydrophobicContact CB-CD1 3.57Å; D1042-L1052 HydrophobicContact CB-CG 3.94Å
1043	Y	73.4	Confident	74.9	Confident	76 Å²	76	53.8 Å²	53.8	30%	0.298	30%	0.302	S	S	.	.			trans	-95.6	4.8	179.7	-63.6	-78.2	0	0	0	113.7	V1041 T1045 L1118 K1120	V1041-Y1043 HydrophobicContact CB-CE2 4.08Å; V1041-Y1043 HydrophobicContact CG1-CD1 4.28Å; V1041-Y1043 HydrophobicContact CG1-CD2 4.17Å; V1041-Y1043 HydrophobicContact CG1-CE1 3.8Å; V1041-Y1043 HydrophobicContact CG1-CE2 3.65Å; V1041-Y1043 HydrophobicContact CG1-CG 4.46Å; V1041-Y1043 VanDerWaalsContact CG1-CZ 3.47Å; Y1043-T1045 PolarHBondContact O-N 3.41Å; Y1043-L1118 WeakPolarHBondContact CE1-O 3.49Å; Y1043-L1118 PolarHBondContact OH-O 3.15Å; Y1043-L1118 VanDerWaalsContact OH-O 3.13Å; Y1043-K1120 HydrophobicContact CD1-CD 4.23Å; Y1043-K1120 HydrophobicContact CD1-CG 3.69Å; Y1043-K1120 HydrophobicContact CE1-CG 3.55Å; Y1043-K1120 HydrophobicContact CG-CG 4.49Å
1044	T	69.4	Low	75.1	Confident	117 Å²	117	54.4 Å²	54.4	72%	0.718	31%	0.305	S	S	*	.	S	Bend	trans	-66.5	-28.1	-178.8	61.9	0	0	0	0	112.6	D1042	D1042-T1044 VanDerWaalsContact OD1-CB 3.29Å; D1042-T1044 WeakPolarHBondContact OD1-CB 3.2Å; D1042-T1044 WeakPolarHBondContact OD1-CG2 3.42Å; D1042-T1044 PolarHBondContact OD1-N 2.88Å; D1042-T1044 PolarHBondContact OD1-OG1 3.05Å; D1042-T1044 PolarHBondContact OD2-OG1 3.42Å
1045	T	64.9	Low	75.1	Confident	97 Å²	97	56.9 Å²	56.9	60%	0.595	30%	0.3	S	S	*	.	S	Bend	trans	-104.4	-27.7	-172.3	49.2	0	0	0	0	114.1	Y1043 N1050	Y1043-T1045 PolarHBondContact O-N 3.41Å; T1045-N1050 PolarHBondContact OG1-ND2 2.64Å
1046	S	65.7	Low	74.6	Confident	30 Å²	30	55.1 Å²	55.1	21%	0.21	29%	0.291	C	S	.	.			trans	-152.1	150.1	-177.6	66.6	0	0	0	0	111.9	S1048 G1049	S1046-S1048 VanDerWaalsContact C-N 3.25Å; S1046-S1048 WeakPolarHBondContact CB-OG 3.49Å; S1046-S1048 PolarHBondContact O-N 3.4Å; S1046-S1048 PolarHBondContact OG-OG 3.47Å; S1046-S1048 VanDerWaalsContact OG-OG 3.08Å; S1046-G1049 PolarHBondContact O-N 2.91Å; S1046-G1049 VanDerWaalsContact O-N 3.12Å; S1046-G1049 PolarHBondContact OG-N 3.44Å
1047	D	66.4	Low	73.9	Confident	117 Å²	117	57.7 Å²	57.7	63%	0.626	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-22.4	174.3	-81.3	-31.8	0	0	0	113.2	G1049 K1120	D1047-G1049 PolarHBondContact O-N 2.96Å; D1047-K1120 PolarHBondContact O-N 3.38Å; D1047-K1120 IonicContact OD1-NZ 3.85Å; D1047-K1120 PolarHBondContact OD1-NZ 3.42Å
1048	S	66	Low	72.8	Confident	46 Å²	46	64.9 Å²	64.9	32%	0.322	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-17.5	168.9	44.9	0	0	0	0	113.4	S1046 L1096 L1118	S1046-S1048 VanDerWaalsContact C-N 3.25Å; S1046-S1048 WeakPolarHBondContact CB-OG 3.49Å; S1046-S1048 PolarHBondContact O-N 3.4Å; S1046-S1048 PolarHBondContact OG-OG 3.47Å; S1046-S1048 VanDerWaalsContact OG-OG 3.08Å; S1048-L1096 VanDerWaalsContact CB-CD1 3.42Å; S1048-L1118 CarbonylContact O-C 3.6Å; S1048-L1118 PolarHBondContact O-N 3.16Å
1049	G	71.6	Confident	72	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.01	35%	0.346	C	S	.	.			trans	69.2	142.1	-170	0	0	0	0	0	112.4	D1042 S1046 D1047 G1117	D1042-G1049 CarbonylContact O-C 3.6Å; D1042-G1049 WeakPolarHBondContact O-CA 3.27Å; S1046-G1049 PolarHBondContact O-N 2.91Å; S1046-G1049 VanDerWaalsContact O-N 3.12Å; S1046-G1049 PolarHBondContact OG-N 3.44Å; D1047-G1049 PolarHBondContact O-N 2.96Å; G1049-G1117 VanDerWaalsContact O-CA 3.31Å; G1049-G1117 WeakPolarHBondContact O-CA 3.29Å
1050	N	78.7	Confident	71.5	Confident	75 Å²	75	67.2 Å²	67.2	40%	0.401	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	135.3	171.5	-74.5	-27.9	0	0	0	109.3	D1042 T1045 L1052	D1042-N1050 PolarHBondContact N-O 3.33Å; D1042-N1050 PolarHBondContact O-N 3.15Å; T1045-N1050 PolarHBondContact OG1-ND2 2.64Å; N1050-L1052 PolarHBondContact O-N 3.36Å
1051	I	81.1	Confident	71.1	Confident	25 Å²	25	68.7 Å²	68.7	13%	0.128	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	121.9	178.1	-62.6	-66.9	0	0	0	110.9	A1039 V1041 W1053 L1115 V1116	A1039-I1051 HydrophobicContact CB-CD1 4.36Å; A1039-I1051 HydrophobicContact CB-CG2 3.58Å; V1041-I1051 HydrophobicContact CB-CD1 4.27Å; V1041-I1051 HydrophobicContact CG2-CD1 3.48Å; V1041-I1051 VanDerWaalsContact CG2-CD1 3.48Å; I1051-W1053 HydrophobicContact CG2-CD2 4.36Å; I1051-W1053 HydrophobicContact CG2-CZ2 4.4Å; I1051-L1115 HydrophobicContact CD1-CD2 3.75Å; I1051-L1115 HydrophobicContact CD1-CG 3.92Å; I1051-L1115 HydrophobicContact CG1-CD2 4.32Å; I1051-L1115 HydrophobicContact CG1-CG 3.99Å; I1051-V1116 VanDerWaalsContact CG1-C 3.43Å; I1051-V1116 WeakPolarHBondContact CG1-O 3.29Å; I1051-V1116 PolarHBondContact N-O 3.37Å
1052	L	80.8	Confident	70.8	Confident	83 Å²	83	69.9 Å²	69.9	44%	0.435	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	121.2	165.5	-64.3	176.3	0	0	0	108.9	W1040 D1042 N1050 L1054	W1040-L1052 PolarHBondContact N-O 3.22Å; W1040-L1052 PolarHBondContact O-N 3.33Å; D1042-L1052 HydrophobicContact CB-CD1 3.57Å; D1042-L1052 HydrophobicContact CB-CG 3.94Å; N1050-L1052 PolarHBondContact O-N 3.36Å; L1052-L1054 PolarHBondContact O-N 2.81Å
1053	W	80.3	Confident	70.8	Confident	79 Å²	79	73.3 Å²	73.3	30%	0.299	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	98.6	175	-68.7	97.5	0	0	0	109.6	I1031 N1033 H1037 A1039 I1051 Q1055	I1031-W1053 VanDerWaalsContact O-CZ3 3.25Å; I1031-W1053 WeakPolarHBondContact O-CZ3 3.38Å; N1033-W1053 HydrophobicContact CB-CE3 3.89Å; N1033-W1053 HydrophobicContact CB-CH2 4.14Å; N1033-W1053 HydrophobicContact CB-CZ3 3.64Å; H1037-W1053 HydrophobicContact CB-CB 4.12Å; H1037-W1053 HydrophobicContact CB-CE3 4.29Å; A1039-W1053 HydrophobicContact CB-CD2 4.46Å; A1039-W1053 HydrophobicContact CB-CE3 4.06Å; A1039-W1053 HydrophobicContact CB-CH2 3.87Å; A1039-W1053 HydrophobicContact CB-CZ2 4.28Å; A1039-W1053 HydrophobicContact CB-CZ3 3.75Å; I1051-W1053 HydrophobicContact CG2-CD2 4.36Å; I1051-W1053 HydrophobicContact CG2-CZ2 4.4Å; W1053-Q1055 PolarHBondContact O-N 2.77Å
1054	L	77.9	Confident	71.1	Confident	51 Å²	51	72 Å²	72	27%	0.267	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	126.3	179	-61.6	178.6	0	0	0	109.1	H1037 I1038 W1040 L1052 I1060	H1037-L1054 CarbonylContact C-O 3.59Å; H1037-L1054 WeakPolarHBondContact CA-O 3.25Å; H1037-L1054 VanDerWaalsContact CB-O 3.27Å; H1037-L1054 WeakPolarHBondContact CB-O 3.42Å; I1038-L1054 PolarHBondContact N-O 3.43Å; I1038-L1054 PolarHBondContact O-N 2.84Å; W1040-L1054 HydrophobicContact CB-CD1 3.45Å; W1040-L1054 VanDerWaalsContact CB-CD1 3.45Å; W1040-L1054 HydrophobicContact CB-CG 3.79Å; W1040-L1054 HydrophobicContact CD2-CD1 4.08Å; W1040-L1054 HydrophobicContact CE3-CD1 4.45Å; W1040-L1054 HydrophobicContact CG-CD1 3.67Å; W1040-L1054 HydrophobicContact CG-CG 4.43Å; L1052-L1054 PolarHBondContact O-N 2.81Å; L1054-I1060 HydrophobicContact CB-CD1 3.81Å; L1054-I1060 HydrophobicContact CD1-CD1 3.42Å; L1054-I1060 VanDerWaalsContact CD1-CD1 3.42Å; L1054-I1060 HydrophobicContact CG-CD1 4.25Å
1055	Q	70.4	Confident	71.5	Confident	149 Å²	149	69 Å²	69	70%	0.696	36%	0.36	S	S	*	.			trans	-54.4	147.7	172.5	-167.1	161	18.4	0	0	109.7	H1037 W1053 V1057	H1037-Q1055 WeakPolarHBondContact CD2-CA 3.25Å; W1053-Q1055 PolarHBondContact O-N 2.77Å; Q1055-V1057 WeakPolarHBondContact O-CG2 3.46Å; Q1055-V1057 PolarHBondContact O-N 2.78Å
1056	D	60.4	Low	71.9	Confident	85 Å²	85	69.3 Å²	69.3	46%	0.455	35%	0.351	S	S	.	.			trans	-58.7	77.2	-171.3	-150.6	-1.7	0	0	0	111	K1032 Q1058	K1032-D1056 IonicContact NZ-OD1 2.82Å; K1032-D1056 PolarHBondContact NZ-OD1 3.46Å; K1032-D1056 IonicContact NZ-OD2 3.78Å; K1032-D1056 PolarHBondContact NZ-OD2 3.4Å; D1056-Q1058 PolarHBondContact O-N 2.88Å
1057	V	56.6	Low	71.9	Confident	62 Å²	62	70.3 Å²	70.3	38%	0.376	36%	0.357	S	S	.	.			trans	-78.7	123.9	178.4	-164.2	0	0	0	0	103.4	Q1055 D1059 I1060	Q1055-V1057 WeakPolarHBondContact O-CG2 3.46Å; Q1055-V1057 PolarHBondContact O-N 2.78Å; V1057-D1059 HydrophobicContact CG1-CB 3.99Å; V1057-D1059 WeakPolarHBondContact CG1-OD2 3.4Å; V1057-D1059 PolarHBondContact O-N 3.24Å; V1057-I1060 PolarHBondContact O-N 3.01Å
1058	Q	58.5	Low	71.5	Confident	194 Å²	194	71 Å²	71	91%	0.907	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-7.4	176.7	-66.6	177.5	-16.4	0	0	114	D1056	D1056-Q1058 PolarHBondContact O-N 2.88Å
1059	D	64.9	Low	71.2	Confident	36 Å²	36	77.2 Å²	77.2	19%	0.193	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-11.7	-179.1	-54.9	-49.4	0	0	0	114.5	V1057 S1081 K1082	V1057-D1059 HydrophobicContact CG1-CB 3.99Å; V1057-D1059 WeakPolarHBondContact CG1-OD2 3.4Å; V1057-D1059 PolarHBondContact O-N 3.24Å; D1059-S1081 WeakPolarHBondContact CA-OG 3.47Å; D1059-S1081 VanDerWaalsContact CB-OG 3.31Å; D1059-S1081 WeakPolarHBondContact CB-OG 3.27Å; D1059-S1081 WeakPolarHBondContact O-CB 3.34Å; D1059-S1081 PolarHBondContact O-N 3.2Å; D1059-S1081 PolarHBondContact O-OG 3.24Å; D1059-K1082 HydrophobicContact CB-CD 4.3Å; D1059-K1082 HydrophobicContact CB-CG 4.17Å; D1059-K1082 VanDerWaalsContact CG-CE 3.44Å; D1059-K1082 IonicContact OD1-NZ 3.24Å; D1059-K1082 VanDerWaalsContact OD2-CD 3.24Å; D1059-K1082 WeakPolarHBondContact OD2-CD 3.36Å; D1059-K1082 WeakPolarHBondContact OD2-CE 3.3Å; D1059-K1082 IonicContact OD2-NZ 2.82Å; D1059-K1082 PolarHBondContact OD2-NZ 2.92Å
1060	I	72.1	Confident	70.5	Confident	17 Å²	17	84.1 Å²	84.1	9%	0.087	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	123.4	-179.4	-55.1	176	0	0	0	110.2	I1038 L1054 V1057 I1078 R1079	I1038-I1060 HydrophobicContact CD1-CB 3.85Å; I1038-I1060 HydrophobicContact CD1-CG2 3.62Å; I1038-I1060 HydrophobicContact CG2-CG2 4.11Å; L1054-I1060 HydrophobicContact CB-CD1 3.81Å; L1054-I1060 HydrophobicContact CD1-CD1 3.42Å; L1054-I1060 VanDerWaalsContact CD1-CD1 3.42Å; L1054-I1060 HydrophobicContact CG-CD1 4.25Å; V1057-I1060 PolarHBondContact O-N 3.01Å; I1060-I1078 HydrophobicContact CG2-CG2 3.52Å; I1060-R1079 WeakPolarHBondContact CA-O 3.31Å
1061	V	74.1	Confident	69.6	Low	63 Å²	63	85.6 Å²	85.6	38%	0.382	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	129.4	178.9	179.7	0	0	0	0	109	E1063 R1079	V1061-E1063 HydrophobicContact CG1-CG 3.77Å; V1061-E1063 WeakPolarHBondContact CG1-OE1 3.28Å; V1061-R1079 PolarHBondContact N-O 2.99Å; V1061-R1079 PolarHBondContact O-N 2.92Å
1062	I	75.3	Confident	69	Low	26 Å²	26	85.3 Å²	85.3	13%	0.133	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	118.6	172.1	-48.5	175.1	0	0	0	108.5	T1013 I1031 I1038 L1076 E1077 I1078	T1013-I1062 WeakPolarHBondContact O-CG2 3.47Å; I1031-I1062 HydrophobicContact CG2-CD1 4.36Å; I1038-I1062 HydrophobicContact CD1-CD1 3.96Å; I1038-I1062 HydrophobicContact CD1-CG1 4.17Å; I1038-I1062 HydrophobicContact CG1-CD1 4.02Å; I1038-I1062 HydrophobicContact CG2-CD1 3.86Å; I1038-I1062 HydrophobicContact CG2-CG1 4.35Å; I1062-L1076 HydrophobicContact CG2-CD1 3.7Å; I1062-L1076 HydrophobicContact CG2-CG 4.27Å; I1062-E1077 WeakPolarHBondContact CA-O 3.27Å; I1062-I1078 HydrophobicContact CG1-CG1 4.34Å; I1062-I1078 HydrophobicContact CG1-CG2 4.34Å; I1062-I1078 HydrophobicContact CG2-CG1 4.4Å
1063	E	79.2	Confident	68.5	Low	111 Å²	111	81.3 Å²	81.3	52%	0.519	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	148.3	-179.4	-80.5	177.3	-172.1	0	0	111	V1061 V1065 E1077	V1061-E1063 HydrophobicContact CG1-CG 3.77Å; V1061-E1063 WeakPolarHBondContact CG1-OE1 3.28Å; E1063-V1065 HydrophobicContact CB-CG2 4.41Å; E1063-E1077 PolarHBondContact N-O 3.44Å; E1063-E1077 PolarHBondContact O-N 3.28Å
1064	R	79.1	Confident	68.3	Low	48 Å²	48	77.6 Å²	77.6	18%	0.181	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	104.3	168.2	-171.1	170.9	-179.9	173.5	-0.3	108.2	E826 Y1066 C1073 V1075	E826-R1064 IonicContact OE1-NH2 3.21Å; R1064-Y1066 HydrophobicContact CB-CE2 4.48Å; R1064-Y1066 WeakPolarHBondContact CD-OH 3.5Å; R1064-Y1066 HydrophobicContact CG-CE2 4.05Å; R1064-Y1066 PolarHBondContact NE-OH 3.21Å; R1064-C1073 PolarHBondContact NE-O 2.98Å; R1064-C1073 PolarHBondContact NH2-O 3.41Å; R1064-V1075 CarbonylContact C-O 3.54Å; R1064-V1075 WeakPolarHBondContact CA-O 3.28Å
1065	V	76.6	Confident	68.5	Low	55 Å²	55	76.3 Å²	76.3	33%	0.333	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	131	-177.1	-176.6	0	0	0	0	109.1	E1063 G1074 V1075 E1077	E1063-V1065 HydrophobicContact CB-CG2 4.41Å; V1065-G1074 CarbonylContact O-C 3.57Å; V1065-G1074 WeakPolarHBondContact O-CA 3.49Å; V1065-V1075 PolarHBondContact N-O 3.03Å; V1065-V1075 PolarHBondContact O-N 3.28Å; V1065-E1077 HydrophobicContact CG2-CB 3.94Å
1066	Y	73.5	Confident	69.2	Low	103 Å²	103	69.2 Å²	69.2	40%	0.404	36%	0.362	S	S	.	.			trans	-106.7	138.2	175.8	-62.7	-89.6	0	0	0	109.2	R1064	R1064-Y1066 HydrophobicContact CB-CE2 4.48Å; R1064-Y1066 WeakPolarHBondContact CD-OH 3.5Å; R1064-Y1066 HydrophobicContact CG-CE2 4.05Å; R1064-Y1066 PolarHBondContact NE-OH 3.21Å
1067	S	65.9	Low	70.4	Confident	50 Å²	50	65.9 Å²	65.9	35%	0.35	34%	0.344	S	S	.	.			trans	-75.1	130.4	174.5	-177.6	0	0	0	0	110.3	E1069 R1070	S1067-E1069 PolarHBondContact O-N 3.41Å; S1067-E1069 PolarHBondContact OG-N 2.8Å; S1067-R1070 PolarHBondContact O-N 2.93Å
1068	S	58.4	Low	71.7	Confident	132 Å²	132	63 Å²	63	92%	0.923	33%	0.326	S	S	*	.	S	Bend	trans	-65.1	-24	173.3	-56.3	0	0	0	0	112.7
1069	E	58.9	Low	72.8	Confident	176 Å²	176	59.1 Å²	59.1	82%	0.822	30%	0.304	S	S	*	.	S	Bend	trans	-85.9	-22.9	-175.5	-62.3	178.1	-179.8	0	0	113.1	S1067	S1067-E1069 PolarHBondContact O-N 3.41Å; S1067-E1069 PolarHBondContact OG-N 2.8Å
1070	R	57.3	Low	73.5	Confident	147 Å²	147	58.7 Å²	58.7	56%	0.555	30%	0.301	S	S	*	.	S	Bend	trans	-128.9	128.1	-174.4	-61.7	-176.8	-174.9	-178.5	0.5	109.6	S1067 D1072	S1067-R1070 PolarHBondContact O-N 2.93Å; R1070-D1072 HydrophobicContact CB-CB 4.16Å; R1070-D1072 PolarHBondContact O-N 3.5Å
1071	S	60.5	Low	73.6	Confident	106 Å²	106	60.8 Å²	60.8	74%	0.741	32%	0.317	S	S	*	.			trans	-70.7	72.1	165.4	40.6	0	0	0	0	109.8	R829	R829-S1071 WeakPolarHBondContact CG-O 3.47Å
1072	D	67.4	Low	73.5	Confident	18 Å²	18	65 Å²	65	10%	0.096	33%	0.331	C	S	.	.			trans	-103	177.8	-174.9	72	13.8	0	0	0	112.5	R1070 G1074	R1070-D1072 HydrophobicContact CB-CB 4.16Å; R1070-D1072 PolarHBondContact O-N 3.5Å; D1072-G1074 PolarHBondContact O-N 2.85Å; D1072-G1074 VanDerWaalsContact OD1-CA 3.32Å; D1072-G1074 WeakPolarHBondContact OD1-CA 3.49Å; D1072-G1074 PolarHBondContact OD1-N 2.84Å
1073	C	71.3	Confident	73.4	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	35%	0.346	C	S	.	.			trans	-80.8	5.9	175.1	67.1	0	0	0	0	112.8	R829 C833 R1064 M1091	R829-C1073 HydrophobicContact CB-CB 4.39Å; C833-C1073 PolarHBondContact SG-SG 3.3Å; R1064-C1073 PolarHBondContact NE-O 2.98Å; R1064-C1073 PolarHBondContact NH2-O 3.41Å; C1073-M1091 WeakPolarHBondContact SG-CG 3.34Å
1074	G	76.5	Confident	73	Confident	1 Å²	1	68 Å²	68	1%	0.01	35%	0.353	C	S	.	.			trans	69.4	175.1	-170.3	0	0	0	0	0	113.8	L1010 V1065 D1072	L1010-G1074 WeakPolarHBondContact CD1-O 3.29Å; V1065-G1074 CarbonylContact O-C 3.57Å; V1065-G1074 WeakPolarHBondContact O-CA 3.49Å; D1072-G1074 PolarHBondContact O-N 2.85Å; D1072-G1074 VanDerWaalsContact OD1-CA 3.32Å; D1072-G1074 WeakPolarHBondContact OD1-CA 3.49Å; D1072-G1074 PolarHBondContact OD1-N 2.84Å
1075	V	82.3	Confident	73	Confident	23 Å²	23	70.8 Å²	70.8	14%	0.139	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	139.2	178.7	176.7	0	0	0	0	108	R1064 V1065 E1077 Q1088 R1090	R1064-V1075 CarbonylContact C-O 3.54Å; R1064-V1075 WeakPolarHBondContact CA-O 3.28Å; V1065-V1075 PolarHBondContact N-O 3.03Å; V1065-V1075 PolarHBondContact O-N 3.28Å; V1075-E1077 PolarHBondContact O-N 2.97Å; V1075-Q1088 HydrophobicContact CG1-CB 3.67Å; V1075-Q1088 HydrophobicContact CG1-CG 3.89Å; V1075-R1090 HydrophobicContact CB-CG 4.49Å; V1075-R1090 HydrophobicContact CG1-CG 3.81Å; V1075-R1090 HydrophobicContact CG2-CG 3.94Å
1076	L	84.6	Confident	73.1	Confident	1 Å²	1	70.7 Å²	70.7	1%	0.005	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	113.1	173.2	-173.9	62.8	0	0	0	108.5	L1010 I1031 I1062 Q1088 Y1089	L1010-L1076 HydrophobicContact CD2-CB 4.37Å; I1031-L1076 HydrophobicContact CD1-CD2 3.42Å; I1031-L1076 VanDerWaalsContact CD1-CD2 3.42Å; I1031-L1076 HydrophobicContact CD1-CG 4.27Å; I1062-L1076 HydrophobicContact CG2-CD1 3.7Å; I1062-L1076 HydrophobicContact CG2-CG 4.27Å; L1076-Q1088 CarbonylContact O-C 3.49Å; L1076-Q1088 WeakPolarHBondContact O-CA 3.47Å; L1076-Y1089 PolarHBondContact N-O 3.43Å; L1076-Y1089 PolarHBondContact O-N 3.2Å
1077	E	85.5	Confident	73.7	Confident	15 Å²	15	66.7 Å²	66.7	7%	0.07	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	127.3	-174.4	-173	172.5	151.8	0	0	110.6	I1062 E1063 V1065 V1075 R1079 C1086 Q1087 Q1088	I1062-E1077 WeakPolarHBondContact CA-O 3.27Å; E1063-E1077 PolarHBondContact N-O 3.44Å; E1063-E1077 PolarHBondContact O-N 3.28Å; V1065-E1077 HydrophobicContact CG2-CB 3.94Å; V1075-E1077 PolarHBondContact O-N 2.97Å; E1077-R1079 IonicContact OE1-CZ 2.72Å; E1077-R1079 VanDerWaalsContact OE1-CZ 3.23Å; E1077-R1079 IonicContact OE1-NE 3.8Å; E1077-R1079 PolarHBondContact OE1-NE 3.38Å; E1077-R1079 IonicContact OE1-NH2 2.82Å; E1077-R1079 PolarHBondContact OE1-NH2 3.01Å; E1077-R1079 IonicContact OE2-NH2 3.46Å; E1077-C1086 WeakPolarHBondContact CG-SG 3.35Å; E1077-C1086 PolarHBondContact OE1-SG 2.97Å; E1077-Q1087 CarbonylContact C-O 3.59Å; E1077-Q1087 WeakPolarHBondContact CA-O 3.36Å; E1077-Q1088 HydrophobicContact CB-CG 4.44Å; E1077-Q1088 HydrophobicContact CG-CG 4.17Å; E1077-Q1088 PolarHBondContact OE2-NE2 3.34Å
1078	I	83.8	Confident	74.6	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	112.9	168.9	-49.5	175.5	0	0	0	107.2	I1031 I1038 A1039 W1040 I1060 I1062 C1086 Q1087 Y1089	I1031-I1078 HydrophobicContact CG2-CD1 3.29Å; I1031-I1078 HydrophobicContact CG2-CG1 4.14Å; I1038-I1078 HydrophobicContact CG2-CD1 4.25Å; I1038-I1078 HydrophobicContact CG2-CG2 3.87Å; A1039-I1078 VanDerWaalsContact O-CD1 3.31Å; A1039-I1078 WeakPolarHBondContact O-CD1 3.4Å; W1040-I1078 HydrophobicContact CE3-CG2 4.02Å; W1040-I1078 HydrophobicContact CZ3-CG2 4.03Å; I1060-I1078 HydrophobicContact CG2-CG2 3.52Å; I1062-I1078 HydrophobicContact CG1-CG1 4.34Å; I1062-I1078 HydrophobicContact CG1-CG2 4.34Å; I1062-I1078 HydrophobicContact CG2-CG1 4.4Å; I1078-C1086 CarbonylContact O-C 3.5Å; I1078-C1086 WeakPolarHBondContact O-CA 3.44Å; I1078-Q1087 HydrophobicContact CB-CB 4.41Å; I1078-Q1087 PolarHBondContact N-O 3.06Å; I1078-Q1087 PolarHBondContact O-N 3.37Å; I1078-Y1089 HydrophobicContact CD1-CD2 4.45Å; I1078-Y1089 HydrophobicContact CD1-CE2 3.59Å; I1078-Y1089 HydrophobicContact CG1-CE2 4.17Å
1079	R	81.6	Confident	76	Confident	114 Å²	114	61.1 Å²	61.1	43%	0.43	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	130	-179	-170.6	-179.2	-63	177	2.3	110.9	I1060 V1061 E1077 E1085	I1060-R1079 WeakPolarHBondContact CA-O 3.31Å; V1061-R1079 PolarHBondContact N-O 2.99Å; V1061-R1079 PolarHBondContact O-N 2.92Å; E1077-R1079 IonicContact OE1-CZ 2.72Å; E1077-R1079 VanDerWaalsContact OE1-CZ 3.23Å; E1077-R1079 IonicContact OE1-NE 3.8Å; E1077-R1079 PolarHBondContact OE1-NE 3.38Å; E1077-R1079 IonicContact OE1-NH2 2.82Å; E1077-R1079 PolarHBondContact OE1-NH2 3.01Å; E1077-R1079 IonicContact OE2-NH2 3.46Å; R1079-E1085 WeakPolarHBondContact CA-O 3.49Å
1080	N	79.1	Confident	77.4	Confident	27 Å²	27	58.7 Å²	58.7	14%	0.144	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	115	168	-174.9	-31.9	0	0	0	109	W1040 K1082 T1083 N1084 E1085	W1040-N1080 HydrophobicContact CH2-CB 3.94Å; W1040-N1080 HydrophobicContact CZ3-CB 4.21Å; N1080-K1082 VanDerWaalsContact C-N 3.28Å; N1080-K1082 PolarHBondContact O-N 3.44Å; N1080-K1082 WeakPolarHBondContact OD1-CB 3.28Å; N1080-K1082 PolarHBondContact OD1-N 3.02Å; N1080-T1083 WeakPolarHBondContact CB-OG1 3.46Å; N1080-T1083 VanDerWaalsContact CG-OG1 3.32Å; N1080-T1083 PolarHBondContact OD1-N 3.39Å; N1080-N1084 WeakPolarHBondContact O-CA 3.37Å; N1080-N1084 PolarHBondContact O-N 3.24Å; N1080-E1085 PolarHBondContact N-O 2.82Å
1081	S	75.1	Confident	78.8	Confident	60 Å²	60	52 Å²	52	42%	0.42	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-24.1	-176.3	72.7	0	0	0	0	113.4	D1059	D1059-S1081 WeakPolarHBondContact CA-OG 3.47Å; D1059-S1081 VanDerWaalsContact CB-OG 3.31Å; D1059-S1081 WeakPolarHBondContact CB-OG 3.27Å; D1059-S1081 WeakPolarHBondContact O-CB 3.34Å; D1059-S1081 PolarHBondContact O-N 3.2Å; D1059-S1081 PolarHBondContact O-OG 3.24Å
1082	K	72.2	Confident	80.1	Confident	153 Å²	153	47.1 Å²	47.1	67%	0.665	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-46.5	178	-78.5	178.7	171.3	156.4	0	112.6	D1059 N1080	D1059-K1082 HydrophobicContact CB-CD 4.3Å; D1059-K1082 HydrophobicContact CB-CG 4.17Å; D1059-K1082 VanDerWaalsContact CG-CE 3.44Å; D1059-K1082 IonicContact OD1-NZ 3.24Å; D1059-K1082 VanDerWaalsContact OD2-CD 3.24Å; D1059-K1082 WeakPolarHBondContact OD2-CD 3.36Å; D1059-K1082 WeakPolarHBondContact OD2-CE 3.3Å; D1059-K1082 IonicContact OD2-NZ 2.82Å; D1059-K1082 PolarHBondContact OD2-NZ 2.92Å; N1080-K1082 VanDerWaalsContact C-N 3.28Å; N1080-K1082 PolarHBondContact O-N 3.44Å; N1080-K1082 WeakPolarHBondContact OD1-CB 3.28Å; N1080-K1082 PolarHBondContact OD1-N 3.02Å
1083	T	72.8	Confident	81.1	Confident	74 Å²	74	47.8 Å²	47.8	45%	0.454	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-13.5	-177.1	61.8	0	0	0	0	112.7	N1080 E1085	N1080-T1083 WeakPolarHBondContact CB-OG1 3.46Å; N1080-T1083 VanDerWaalsContact CG-OG1 3.32Å; N1080-T1083 PolarHBondContact OD1-N 3.39Å; T1083-E1085 PolarHBondContact O-N 3.25Å; T1083-E1085 VanDerWaalsContact O-N 3.17Å; T1083-E1085 WeakPolarHBondContact OG1-CB 3.23Å; T1083-E1085 WeakPolarHBondContact OG1-CG 3.42Å; T1083-E1085 PolarHBondContact OG1-N 3.17Å; T1083-E1085 PolarHBondContact OG1-OE2 2.73Å
1084	N	71	Confident	82.1	Confident	125 Å²	125	49.4 Å²	49.4	67%	0.668	24%	0.243	S	C	*	.			trans	56.4	13.9	-166.1	-81.2	-43.8	0	0	0	113.7	N1080	N1080-N1084 WeakPolarHBondContact O-CA 3.37Å; N1080-N1084 PolarHBondContact O-N 3.24Å
1085	E	78	Confident	82.8	Confident	106 Å²	106	49.3 Å²	49.3	50%	0.495	24%	0.242	S	C	.	.			trans	-70.9	145.6	173.2	-67.9	171.2	151.5	0	0	110	W1040 R1079 N1080 T1083	W1040-E1085 HydrophobicContact CH2-CB 3.76Å; W1040-E1085 HydrophobicContact CZ2-CB 3.81Å; R1079-E1085 WeakPolarHBondContact CA-O 3.49Å; N1080-E1085 PolarHBondContact N-O 2.82Å; T1083-E1085 PolarHBondContact O-N 3.25Å; T1083-E1085 VanDerWaalsContact O-N 3.17Å; T1083-E1085 WeakPolarHBondContact OG1-CB 3.23Å; T1083-E1085 WeakPolarHBondContact OG1-CG 3.42Å; T1083-E1085 PolarHBondContact OG1-N 3.17Å; T1083-E1085 PolarHBondContact OG1-OE2 2.73Å
1086	C	80.5	Confident	83.4	Confident	53 Å²	53	50.5 Å²	50.5	36%	0.358	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	131.8	-171.1	162.4	0	0	0	0	110.2	E1077 I1078	E1077-C1086 WeakPolarHBondContact CG-SG 3.35Å; E1077-C1086 PolarHBondContact OE1-SG 2.97Å; I1078-C1086 CarbonylContact O-C 3.5Å; I1078-C1086 WeakPolarHBondContact O-CA 3.44Å
1087	Q	84.6	Confident	83.8	Confident	20 Å²	20	50.4 Å²	50.4	9%	0.093	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	138.3	172.2	-59	-172.2	-7.9	0	0	109.2	W1040 V1041 E1077 I1078	W1040-Q1087 HydrophobicContact CD2-CG 4.43Å; W1040-Q1087 HydrophobicContact CE3-CG 4.2Å; W1040-Q1087 HydrophobicContact CH2-CG 4.08Å; W1040-Q1087 HydrophobicContact CZ2-CG 4.3Å; W1040-Q1087 HydrophobicContact CZ3-CG 4.01Å; V1041-Q1087 VanDerWaalsContact N-NE2 3.14Å; V1041-Q1087 PolarHBondContact O-NE2 3.31Å; E1077-Q1087 CarbonylContact C-O 3.59Å; E1077-Q1087 WeakPolarHBondContact CA-O 3.36Å; I1078-Q1087 HydrophobicContact CB-CB 4.41Å; I1078-Q1087 PolarHBondContact N-O 3.06Å; I1078-Q1087 PolarHBondContact O-N 3.37Å
1088	Q	86.2	Confident	84.2	Confident	65 Å²	65	51 Å²	51	30%	0.304	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	137.3	-173.9	-71.5	-175.2	-10.2	0	0	110.5	V1075 L1076 E1077	V1075-Q1088 HydrophobicContact CG1-CB 3.67Å; V1075-Q1088 HydrophobicContact CG1-CG 3.89Å; L1076-Q1088 CarbonylContact O-C 3.49Å; L1076-Q1088 WeakPolarHBondContact O-CA 3.47Å; E1077-Q1088 HydrophobicContact CB-CG 4.44Å; E1077-Q1088 HydrophobicContact CG-CG 4.17Å; E1077-Q1088 PolarHBondContact OE2-NE2 3.34Å
1089	Y	87.3	Confident	84.7	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	116.6	172.1	-60.1	-96.9	0	0	0	108.2	I1007 F1016 I1031 L1076 I1078 V1095 L1115 L1118	I1007-Y1089 HydrophobicContact CD1-CD1 4.12Å; F1016-Y1089 HydrophobicContact CD1-CD1 4.37Å; F1016-Y1089 AromaticContact CE1-CD1 3.6Å; F1016-Y1089 HydrophobicContact CE1-CD1 3.6Å; F1016-Y1089 HydrophobicContact CE1-CE1 4.05Å; F1016-Y1089 HydrophobicContact CE1-CG 4.11Å; F1016-Y1089 HydrophobicContact CZ-CD1 4.24Å; I1031-Y1089 HydrophobicContact CD1-CD1 4.44Å; I1031-Y1089 HydrophobicContact CD1-CD2 3.68Å; I1031-Y1089 HydrophobicContact CD1-CE1 4.47Å; I1031-Y1089 HydrophobicContact CD1-CE2 3.76Å; I1031-Y1089 HydrophobicContact CD1-CG 4.05Å; L1076-Y1089 PolarHBondContact N-O 3.43Å; L1076-Y1089 PolarHBondContact O-N 3.2Å; I1078-Y1089 HydrophobicContact CD1-CD2 4.45Å; I1078-Y1089 HydrophobicContact CD1-CE2 3.59Å; I1078-Y1089 HydrophobicContact CG1-CE2 4.17Å; Y1089-V1095 HydrophobicContact CD1-CG1 4.45Å; Y1089-L1115 HydrophobicContact CE1-CD2 3.84Å; Y1089-L1118 HydrophobicContact CD1-CD1 4.27Å; Y1089-L1118 HydrophobicContact CE1-CD1 4.14Å; Y1089-L1118 HydrophobicContact CE1-CD2 4.19Å
1090	R	87.4	Confident	85.3	Confident	124 Å²	124	46.9 Å²	46.9	47%	0.468	24%	0.236	S	C	.	.			trans	-110	159.1	-177	-50	176.2	174	-170.8	-0.7	109.9	V1075 F1092 D1093	V1075-R1090 HydrophobicContact CB-CG 4.49Å; V1075-R1090 HydrophobicContact CG1-CG 3.81Å; V1075-R1090 HydrophobicContact CG2-CG 3.94Å; R1090-F1092 PolarHBondContact O-N 3.26Å; R1090-D1093 WeakPolarHBondContact CA-OD2 3.19Å; R1090-D1093 WeakPolarHBondContact CB-OD2 3.45Å; R1090-D1093 WeakPolarHBondContact CG-OD2 3.32Å; R1090-D1093 PolarHBondContact N-OD2 3.43Å; R1090-D1093 WeakPolarHBondContact O-CB 3.37Å; R1090-D1093 PolarHBondContact O-N 3Å
1091	M	86.9	Confident	85.9	Confident	6 Å²	6	46.9 Å²	46.9	3%	0.03	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	135.9	168.9	-79.6	-62.8	-56.1	0	0	110.4	C830 I1007 C1008 Q1009 L1010 C1073 D1093	C830-M1091 HydrophobicContact CB-CE 3.81Å; C830-M1091 HydrophobicContact CB-CG 4.19Å; I1007-M1091 HydrophobicContact CG2-SD 4.32Å; C1008-M1091 WeakPolarHBondContact O-CE 3.44Å; Q1009-M1091 VanDerWaalsContact CA-SD 3.56Å; L1010-M1091 HydrophobicContact CD1-CG 4.46Å; L1010-M1091 HydrophobicContact CG-CG 4.28Å; L1010-M1091 HydrophobicContact CG-SD 4.15Å; C1073-M1091 WeakPolarHBondContact SG-CG 3.34Å; M1091-D1093 PolarHBondContact O-N 3.43Å
1092	F	88.2	Confident	86.4	Confident	4 Å²	4	44.4 Å²	44.4	2%	0.018	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.1	7.8	-178.6	-47.1	-66.7	0	0	0	116.1	C830 I831 R834 V861 V864 V865 L868 I1006 I1007 R1090	C830-F1092 WeakPolarHBondContact O-CE2 3.23Å; I831-F1092 HydrophobicContact CG1-CE2 4.24Å; I831-F1092 HydrophobicContact CG1-CZ 4.04Å; R834-F1092 HydrophobicContact CB-CD2 4.39Å; V861-F1092 HydrophobicContact CG1-CB 4.11Å; V861-F1092 HydrophobicContact CG1-CD1 4.08Å; V861-F1092 HydrophobicContact CG1-CG 4.04Å; V861-F1092 HydrophobicContact CG2-CB 4Å; V864-F1092 HydrophobicContact CG1-CD1 4.22Å; V864-F1092 HydrophobicContact CG1-CE1 4.02Å; V865-F1092 HydrophobicContact CG2-CE1 3.81Å; V865-F1092 HydrophobicContact CG2-CZ 3.8Å; L868-F1092 HydrophobicContact CD1-CE1 3.86Å; L868-F1092 HydrophobicContact CD1-CZ 4.11Å; I1006-F1092 HydrophobicContact CG2-CB 4.48Å; I1006-F1092 HydrophobicContact CG2-CD1 4.42Å; I1007-F1092 WeakPolarHBondContact O-CA 3.27Å; I1007-F1092 PolarHBondContact O-N 3.07Å; R1090-F1092 PolarHBondContact O-N 3.26Å
1093	D	89.4	Confident	87	Confident	33 Å²	33	42.1 Å²	42.1	18%	0.176	21%	0.211	C	C	.	.			trans	-66	143.1	167.2	-71.5	-13.5	0	0	0	109.7	I1007 R1090 M1091	I1007-D1093 HydrophobicContact CD1-CB 4.26Å; I1007-D1093 PolarHBondContact N-O 3.4Å; R1090-D1093 WeakPolarHBondContact CA-OD2 3.19Å; R1090-D1093 WeakPolarHBondContact CB-OD2 3.45Å; R1090-D1093 WeakPolarHBondContact CG-OD2 3.32Å; R1090-D1093 PolarHBondContact N-OD2 3.43Å; R1090-D1093 WeakPolarHBondContact O-CB 3.37Å; R1090-D1093 PolarHBondContact O-N 3Å; M1091-D1093 PolarHBondContact O-N 3.43Å
1094	H	90.9	Very high	87.5	Confident	33 Å²	33	39.7 Å²	39.7	15%	0.153	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	138.7	171	-71.5	-97.8	0	0	0	110.1	D858 E1004 G1005	D858-H1094 VanDerWaalsContact CG-NE2 3.33Å; D858-H1094 IonicContact OD1-CE1 2.67Å; D858-H1094 IonicContact OD1-NE2 2.71Å; D858-H1094 PolarHBondContact OD1-NE2 2.97Å; D858-H1094 IonicContact OD2-CD2 3.65Å; D858-H1094 PolarHBondContact OD2-CD2 3.21Å; D858-H1094 IonicContact OD2-CE1 3.8Å; D858-H1094 IonicContact OD2-NE2 3.8Å; D858-H1094 PolarHBondContact OD2-NE2 3.43Å; E1004-H1094 VanDerWaalsContact CD-ND1 3.33Å; E1004-H1094 HydrophobicContact CG-CB 4.1Å; E1004-H1094 VanDerWaalsContact OE1-CB 3.27Å; E1004-H1094 WeakPolarHBondContact OE1-CB 3.46Å; E1004-H1094 IonicContact OE1-CG 3.14Å; E1004-H1094 IonicContact OE1-ND1 2.73Å; E1004-H1094 PolarHBondContact OE1-ND1 3.21Å; E1004-H1094 VanDerWaalsContact OE1-ND1 3.16Å; G1005-H1094 CarbonylContact O-C 3.55Å; G1005-H1094 WeakPolarHBondContact O-CA 3.42Å
1095	V	92.6	Very high	88.2	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	147.4	-179.6	-71.1	0	0	0	0	109.6	E1004 G1005 I1007 F1016 A1018 Y1089 L1097 L1115 L1118	E1004-V1095 CarbonylContact C-O 3.53Å; E1004-V1095 WeakPolarHBondContact CA-O 3.08Å; G1005-V1095 PolarHBondContact N-O 3.32Å; G1005-V1095 VanDerWaalsContact O-CG2 3.25Å; G1005-V1095 WeakPolarHBondContact O-CG2 3.45Å; G1005-V1095 PolarHBondContact O-N 3.12Å; I1007-V1095 HydrophobicContact CD1-CG1 3.89Å; I1007-V1095 HydrophobicContact CG1-CG1 4.03Å; I1007-V1095 HydrophobicContact CG1-CG2 4.31Å; F1016-V1095 HydrophobicContact CE2-CG1 4.44Å; F1016-V1095 HydrophobicContact CE2-CG2 4.1Å; F1016-V1095 HydrophobicContact CZ-CG1 4.05Å; F1016-V1095 HydrophobicContact CZ-CG2 4.41Å; A1018-V1095 HydrophobicContact CB-CG2 4.42Å; Y1089-V1095 HydrophobicContact CD1-CG1 4.45Å; V1095-L1097 HydrophobicContact CB-CD2 4.36Å; V1095-L1097 HydrophobicContact CG2-CD1 4.09Å; V1095-L1097 HydrophobicContact CG2-CD2 3.85Å; V1095-L1097 HydrophobicContact CG2-CG 3.93Å; V1095-L1115 HydrophobicContact CB-CD1 3.92Å; V1095-L1115 HydrophobicContact CG1-CD1 4.16Å; V1095-L1118 HydrophobicContact CG1-CD1 3.73Å
1096	L	93.1	Very high	88.6	Confident	47 Å²	47	32.6 Å²	32.6	25%	0.246	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	125.3	172.8	-66.6	169.7	0	0	0	109.3	E1004 S1048 V1116 G1117 P1119	E1004-L1096 HydrophobicContact CB-CD2 4.47Å; S1048-L1096 VanDerWaalsContact CB-CD1 3.42Å; L1096-V1116 HydrophobicContact CB-CG2 3.89Å; L1096-V1116 VanDerWaalsContact O-CG2 3.25Å; L1096-V1116 WeakPolarHBondContact O-CG2 3.34Å; L1096-V1116 PolarHBondContact O-N 2.85Å; L1096-G1117 PolarHBondContact N-O 3.47Å; L1096-G1117 PolarHBondContact O-N 2.92Å; L1096-P1119 HydrophobicContact CD1-CG 4.12Å; L1096-P1119 HydrophobicContact CD2-CG 4.49Å; L1096-P1119 HydrophobicContact CG-CG 3.9Å
1097	L	94	Very high	89.1	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	146.1	-173.7	-57.3	177	0	0	0	110.8	Y1002 T1003 A1018 V1020 V1029 V1095 L1113 E1114 L1115	Y1002-L1097 WeakPolarHBondContact CA-O 3.5Å; T1003-L1097 PolarHBondContact N-O 2.86Å; T1003-L1097 PolarHBondContact O-N 2.95Å; A1018-L1097 HydrophobicContact CB-CD1 3.56Å; V1020-L1097 HydrophobicContact CG2-CD1 4.08Å; V1029-L1097 HydrophobicContact CG1-CD2 4.15Å; V1029-L1097 HydrophobicContact CG2-CD1 4.33Å; V1029-L1097 HydrophobicContact CG2-CD2 3.88Å; V1095-L1097 HydrophobicContact CB-CD2 4.36Å; V1095-L1097 HydrophobicContact CG2-CD1 4.09Å; V1095-L1097 HydrophobicContact CG2-CD2 3.85Å; V1095-L1097 HydrophobicContact CG2-CG 3.93Å; L1097-L1113 HydrophobicContact CD1-CD1 4.12Å; L1097-E1114 CarbonylContact C-O 3.58Å; L1097-E1114 VanDerWaalsContact CA-O 3.26Å; L1097-E1114 WeakPolarHBondContact CA-O 3.47Å; L1097-L1115 HydrophobicContact CD2-CD1 4.08Å
1098	K	93.8	Very high	89.2	Confident	27 Å²	27	30.7 Å²	30.7	12%	0.117	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	128.9	165.2	-178.3	178.9	-176.6	170.7	0	109.9	V996 R1001 Y1002 N1100 E1114 V1116	V996-K1098 WeakPolarHBondContact O-CE 3.44Å; V996-K1098 PolarHBondContact O-NZ 3.11Å; R1001-K1098 CarbonylContact O-C 3.58Å; R1001-K1098 WeakPolarHBondContact O-CA 3.5Å; Y1002-K1098 HydrophobicContact CD1-CB 4.36Å; Y1002-K1098 HydrophobicContact CE1-CB 4.22Å; Y1002-K1098 HydrophobicContact CE1-CD 4.06Å; Y1002-K1098 HydrophobicContact CE1-CG 4.22Å; Y1002-K1098 PolarHBondContact OH-NZ 3Å; K1098-N1100 WeakPolarHBondContact CE-OD1 3.36Å; K1098-E1114 HydrophobicContact CB-CB 4.38Å; K1098-E1114 PolarHBondContact N-O 3.24Å; K1098-E1114 PolarHBondContact O-N 3.46Å; K1098-V1116 HydrophobicContact CB-CG1 3.6Å
1099	I	94.6	Very high	89.4	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	118.5	176.4	-57.2	179.2	0	0	0	109.6	F991 R1001 T1003 V1020 Y1023 I1025 I1111 L1113	F991-I1099 HydrophobicContact CB-CG2 4.44Å; F991-I1099 HydrophobicContact CD1-CB 4.35Å; F991-I1099 HydrophobicContact CD1-CG2 4.02Å; F991-I1099 HydrophobicContact CD2-CG2 3.68Å; F991-I1099 HydrophobicContact CE1-CB 4.32Å; F991-I1099 HydrophobicContact CE1-CD1 3.96Å; F991-I1099 HydrophobicContact CE1-CG2 4.22Å; F991-I1099 HydrophobicContact CE2-CD1 4.01Å; F991-I1099 HydrophobicContact CE2-CG2 3.93Å; F991-I1099 HydrophobicContact CG-CG2 3.76Å; F991-I1099 HydrophobicContact CZ-CD1 3.55Å; F991-I1099 HydrophobicContact CZ-CG2 4.19Å; R1001-I1099 PolarHBondContact NH1-O 2.89Å; R1001-I1099 PolarHBondContact O-N 3.39Å; T1003-I1099 HydrophobicContact CG2-CD1 3.8Å; T1003-I1099 HydrophobicContact CG2-CG1 4.13Å; V1020-I1099 HydrophobicContact CG1-CD1 4.46Å; Y1023-I1099 HydrophobicContact CD2-CD1 3.66Å; Y1023-I1099 HydrophobicContact CE2-CD1 3.96Å; I1025-I1099 HydrophobicContact CD1-CD1 4.13Å; I1099-I1111 HydrophobicContact CG2-CG2 3.67Å; I1099-L1113 HydrophobicContact CB-CD2 4.47Å; I1099-L1113 HydrophobicContact CG1-CD2 3.79Å
1100	N	92.9	Very high	89.4	Confident	28 Å²	28	31.4 Å²	31.4	15%	0.15	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	154.8	174.2	-66.1	-43.2	0	0	0	110.2	K1098 R1112 E1114	K1098-N1100 WeakPolarHBondContact CE-OD1 3.36Å; N1100-R1112 HydrophobicContact CB-CB 4.42Å; N1100-R1112 PolarHBondContact N-O 3.31Å; N1100-R1112 PolarHBondContact O-N 3.38Å; N1100-E1114 PolarHBondContact ND2-OE2 3.46Å; N1100-E1114 VanDerWaalsContact ND2-OE2 3.09Å
1101	V	91.7	Very high	89.6	Confident	26 Å²	26	26.9 Å²	26.9	16%	0.158	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	130.9	173.7	-177.8	0	0	0	0	108.2	A988 F991 K992 L1109	A988-V1101 WeakPolarHBondContact O-CG2 3.45Å; F991-V1101 HydrophobicContact CB-CG2 3.63Å; K992-V1101 HydrophobicContact CB-CG1 4.48Å; K992-V1101 HydrophobicContact CB-CG2 4.34Å; V1101-L1109 HydrophobicContact CG1-CD2 4.44Å
1102	S	87.1	Confident	89.8	Confident	8 Å²	8	29.8 Å²	29.8	6%	0.056	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	125.3	173.6	-52	0	0	0	0	108.3	C359 N1110	C359-S1102 PolarHBondContact O-OG 2.89Å; S1102-N1110 PolarHBondContact N-O 2.83Å; S1102-N1110 PolarHBondContact O-N 2.78Å; S1102-N1110 VanDerWaalsContact O-N 3.09Å
1103	E	84.7	Confident	90.1	Very high	106 Å²	106	29.7 Å²	29.7	50%	0.495	16%	0.155	S	C	.	.			trans	-102.5	140.1	-179.1	-57.3	-164	-163.3	0	0	110.6	K992 L1109	K992-E1103 WeakPolarHBondContact CE-OE1 3.3Å; K992-E1103 IonicContact NZ-OE1 2.64Å; K992-E1103 PolarHBondContact NZ-OE1 2.72Å; K992-E1103 IonicContact NZ-OE2 2.84Å; K992-E1103 PolarHBondContact NZ-OE2 3.33Å; E1103-L1109 HydrophobicContact CB-CD2 4.33Å; E1103-L1109 HydrophobicContact CG-CD2 3.91Å
1104	S	83.8	Confident	90.2	Very high	23 Å²	23	31 Å²	31	16%	0.161	16%	0.16	C	C	.	.			trans	-129.5	139.8	177.5	-163.3	0	0	0	0	109.8	E362 H1107	E362-S1104 VanDerWaalsContact CD-CB 3.43Å; E362-S1104 WeakPolarHBondContact OE1-CB 3.16Å; E362-S1104 PolarHBondContact OE1-OG 2.92Å; E362-S1104 VanDerWaalsContact OE2-CB 3.3Å; E362-S1104 WeakPolarHBondContact OE2-CB 3.36Å; S1104-H1107 WeakPolarHBondContact OG-CB 3.49Å; S1104-H1107 PolarHBondContact OG-CD2 3.47Å; S1104-H1107 PolarHBondContact OG-N 3.04Å
1105	V	84.3	Confident	90.2	Very high	75 Å²	75	29.5 Å²	29.5	46%	0.455	15%	0.154	S	C	.	.	S	Bend	trans	-72.6	-39	171	-176.8	0	0	0	0	110.2	T408 V410 I479	T408-V1105 HydrophobicContact CG2-CG1 4.33Å; V410-V1105 HydrophobicContact CG2-CB 4.49Å; V410-V1105 HydrophobicContact CG2-CG1 4.13Å; I479-V1105 HydrophobicContact CD1-CG1 3.88Å; I479-V1105 WeakPolarHBondContact CD1-O 3.24Å
1106	A	86.5	Confident	90	Very high	7 Å²	7	31.3 Å²	31.3	6%	0.058	17%	0.165	C	C	.	.	S	Bend	trans	-96.3	-17.2	-173.6	0	0	0	0	0	113.9	V410 T430 R453	V410-A1106 HydrophobicContact CG2-CB 4.18Å; T430-A1106 HydrophobicContact CG2-CB 3.61Å; R453-A1106 PolarHBondContact NH1-O 3.48Å
1107	H	91	Very high	89.6	Confident	24 Å²	24	29.1 Å²	29.1	11%	0.111	15%	0.153	C	C	.	.	S	Bend	trans	-123.2	174.5	-173.9	-50.9	-63.4	0	0	0	111.7	E362 P431 W432 R434 R453 S1104	E362-H1107 IonicContact OE1-CD2 3.48Å; E362-H1107 PolarHBondContact OE1-CD2 2.92Å; P431-H1107 PolarHBondContact O-CE1 2.9Å; P431-H1107 VanDerWaalsContact O-CE1 3.31Å; W432-H1107 PolarHBondContact O-ND1 3.25Å; R434-H1107 VanDerWaalsContact CG-CE1 3.4Å; R434-H1107 WeakPolarHBondContact CG-CE1 3.48Å; R434-H1107 VanDerWaalsContact CZ-CD2 3.42Å; R434-H1107 PolarHBondContact NE-CD2 3.19Å; R434-H1107 PolarHBondContact NE-NE2 3.44Å; R434-H1107 VanDerWaalsContact NH2-CB 3.28Å; R434-H1107 PolarHBondContact NH2-CD2 3.37Å; R434-H1107 VanDerWaalsContact NH2-CD2 3.35Å; R453-H1107 PolarHBondContact NH2-O 2.87Å; S1104-H1107 WeakPolarHBondContact OG-CB 3.49Å; S1104-H1107 PolarHBondContact OG-CD2 3.47Å; S1104-H1107 PolarHBondContact OG-N 3.04Å
1108	G	87.2	Confident	89.1	Confident	9 Å²	9	29.9 Å²	29.9	9%	0.093	16%	0.157	C	C	.	.			trans	-70.4	161.2	174.6	0	0	0	0	0	112.4	N1110	G1108-N1110 PolarHBondContact O-ND2 2.95Å
1109	L	89.8	Confident	88.3	Confident	36 Å²	36	30.2 Å²	30.2	19%	0.188	16%	0.162	C	C	.	.			trans	-59.6	138.4	170.7	-62.9	176	0	0	0	110.2	L985 A988 L989 K992 V1101 E1103	L985-L1109 HydrophobicContact CD1-CD1 4.2Å; A988-L1109 HydrophobicContact CB-CB 3.73Å; A988-L1109 HydrophobicContact CB-CD1 4.44Å; L989-L1109 HydrophobicContact CD2-CD1 3.63Å; L989-L1109 HydrophobicContact CG-CD1 4.15Å; K992-L1109 HydrophobicContact CD-CD1 4.29Å; V1101-L1109 HydrophobicContact CG1-CD2 4.44Å; E1103-L1109 HydrophobicContact CB-CD2 4.33Å; E1103-L1109 HydrophobicContact CG-CD2 3.91Å
1110	N	88.3	Confident	87	Confident	44 Å²	44	34.6 Å²	34.6	24%	0.235	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	148.5	178.1	-59.6	-71.9	0	0	0	111.3	C359 S1102 G1108	C359-N1110 HydrophobicContact CB-CB 4.24Å; C359-N1110 VanDerWaalsContact SG-CB 3.54Å; S1102-N1110 PolarHBondContact N-O 2.83Å; S1102-N1110 PolarHBondContact O-N 2.78Å; S1102-N1110 VanDerWaalsContact O-N 3.09Å; G1108-N1110 PolarHBondContact O-ND2 2.95Å
1111	I	91.7	Very high	85.3	Confident	28 Å²	28	37.9 Å²	37.9	14%	0.144	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	130.7	172.5	-71.1	159.6	0	0	0	109.6	Q987 A988 F991 I1025 I1099 L1113	Q987-I1111 HydrophobicContact CB-CD1 3.58Å; A988-I1111 HydrophobicContact CB-CD1 4.44Å; A988-I1111 HydrophobicContact CB-CG1 4.15Å; F991-I1111 HydrophobicContact CD2-CD1 4.46Å; I1025-I1111 HydrophobicContact CD1-CD1 3.68Å; I1025-I1111 HydrophobicContact CG1-CD1 4.1Å; I1025-I1111 HydrophobicContact CG2-CG2 3.92Å; I1099-I1111 HydrophobicContact CG2-CG2 3.67Å; I1111-L1113 HydrophobicContact CG2-CD2 4.03Å
1112	R	91.2	Very high	82.9	Confident	67 Å²	67	43.5 Å²	43.5	25%	0.253	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	131.9	173.7	178.5	172.5	176.9	-161.3	-5.8	109.7	N358 C359 N1100	N358-R1112 VanDerWaalsContact O-CD 3.31Å; N358-R1112 WeakPolarHBondContact O-CD 3.37Å; N358-R1112 WeakPolarHBondContact O-CG 3.17Å; C359-R1112 HydrophobicContact CB-CB 4.3Å; N1100-R1112 HydrophobicContact CB-CB 4.42Å; N1100-R1112 PolarHBondContact N-O 3.31Å; N1100-R1112 PolarHBondContact O-N 3.38Å
1113	L	93.3	Very high	80.8	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.01	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	129.2	177	-58.9	-177.4	0	0	0	109.7	V1020 I1025 V1029 L1097 I1099 I1111	V1020-L1113 HydrophobicContact CG2-CD1 4.19Å; V1020-L1113 HydrophobicContact CG2-CD2 4.38Å; I1025-L1113 HydrophobicContact CG2-CD1 4.48Å; I1025-L1113 HydrophobicContact CG2-CD2 4.26Å; V1029-L1113 HydrophobicContact CG2-CB 3.66Å; V1029-L1113 HydrophobicContact CG2-CD1 4.41Å; L1097-L1113 HydrophobicContact CD1-CD1 4.12Å; I1099-L1113 HydrophobicContact CB-CD2 4.47Å; I1099-L1113 HydrophobicContact CG1-CD2 3.79Å; I1111-L1113 HydrophobicContact CG2-CD2 4.03Å
1114	E	90.9	Very high	78.3	Confident	61 Å²	61	49.7 Å²	49.7	29%	0.285	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	133.5	178.6	-178.7	178.6	-173.7	0	0	110.1	L1097 K1098 N1100 V1116	L1097-E1114 CarbonylContact C-O 3.58Å; L1097-E1114 VanDerWaalsContact CA-O 3.26Å; L1097-E1114 WeakPolarHBondContact CA-O 3.47Å; K1098-E1114 HydrophobicContact CB-CB 4.38Å; K1098-E1114 PolarHBondContact N-O 3.24Å; K1098-E1114 PolarHBondContact O-N 3.46Å; N1100-E1114 PolarHBondContact ND2-OE2 3.46Å; N1100-E1114 VanDerWaalsContact ND2-OE2 3.09Å; E1114-V1116 PolarHBondContact O-N 3.04Å
1115	L	90.8	Very high	75.6	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.01	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	124.8	176.3	-173.7	65.8	0	0	0	110	F1016 V1029 A1039 I1051 Y1089 V1095 L1097 G1117	F1016-L1115 HydrophobicContact CZ-CD1 4.27Å; V1029-L1115 HydrophobicContact CG1-CB 3.82Å; A1039-L1115 HydrophobicContact CB-CD2 4.37Å; I1051-L1115 HydrophobicContact CD1-CD2 3.75Å; I1051-L1115 HydrophobicContact CD1-CG 3.92Å; I1051-L1115 HydrophobicContact CG1-CD2 4.32Å; I1051-L1115 HydrophobicContact CG1-CG 3.99Å; Y1089-L1115 HydrophobicContact CE1-CD2 3.84Å; V1095-L1115 HydrophobicContact CB-CD1 3.92Å; V1095-L1115 HydrophobicContact CG1-CD1 4.16Å; L1097-L1115 HydrophobicContact CD2-CD1 4.08Å; L1115-G1117 WeakPolarHBondContact CD1-O 3.46Å
1116	V	88.6	Confident	72.8	Confident	38 Å²	38	58.1 Å²	58.1	23%	0.23	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	-19.9	178.3	-65.9	0	0	0	0	113.8	Y1002 I1051 L1096 K1098 E1114	Y1002-V1116 HydrophobicContact CD1-CG2 4.21Å; Y1002-V1116 HydrophobicContact CE1-CG1 4.29Å; I1051-V1116 VanDerWaalsContact CG1-C 3.43Å; I1051-V1116 WeakPolarHBondContact CG1-O 3.29Å; I1051-V1116 PolarHBondContact N-O 3.37Å; L1096-V1116 HydrophobicContact CB-CG2 3.89Å; L1096-V1116 VanDerWaalsContact O-CG2 3.25Å; L1096-V1116 WeakPolarHBondContact O-CG2 3.34Å; L1096-V1116 PolarHBondContact O-N 2.85Å; K1098-V1116 HydrophobicContact CB-CG1 3.6Å; E1114-V1116 PolarHBondContact O-N 3.04Å
1117	G	85.4	Confident	69.9	Low	1 Å²	1	66.9 Å²	66.9	1%	0.01	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.8	167.8	176.7	0	0	0	0	0	112.8	G1049 L1096 L1115	G1049-G1117 VanDerWaalsContact O-CA 3.31Å; G1049-G1117 WeakPolarHBondContact O-CA 3.29Å; L1096-G1117 PolarHBondContact N-O 3.47Å; L1096-G1117 PolarHBondContact O-N 2.92Å; L1115-G1117 WeakPolarHBondContact CD1-O 3.46Å
1118	L	83.3	Confident	66.7	Low	15 Å²	15	73.4 Å²	73.4	8%	0.079	38%	0.384	C	S	.	.			trans	-134.9	102.3	176.6	-178.9	70.4	0	0	0	106.9	V1041 Y1043 S1048 Y1089 V1095 K1120	V1041-L1118 HydrophobicContact CG1-CB 4.18Å; V1041-L1118 HydrophobicContact CG2-CB 3.65Å; V1041-L1118 HydrophobicContact CG2-CD2 4.13Å; Y1043-L1118 WeakPolarHBondContact CE1-O 3.49Å; Y1043-L1118 PolarHBondContact OH-O 3.15Å; Y1043-L1118 VanDerWaalsContact OH-O 3.13Å; S1048-L1118 CarbonylContact O-C 3.6Å; S1048-L1118 PolarHBondContact O-N 3.16Å; Y1089-L1118 HydrophobicContact CD1-CD1 4.27Å; Y1089-L1118 HydrophobicContact CE1-CD1 4.14Å; Y1089-L1118 HydrophobicContact CE1-CD2 4.19Å; V1095-L1118 HydrophobicContact CG1-CD1 3.73Å; L1118-K1120 PolarHBondContact O-N 2.85Å
1119	P	78.1	Confident	63.7	Low	35 Å²	35	79 Å²	79	23%	0.227	42%	0.416	C	S	.	.			trans	-55.6	137.1	-179.2	-24.4	33.6	0	0	0	111.7	L1096 T1121	L1096-P1119 HydrophobicContact CD1-CG 4.12Å; L1096-P1119 HydrophobicContact CD2-CG 4.49Å; L1096-P1119 HydrophobicContact CG-CG 3.9Å; P1119-T1121 PolarHBondContact O-N 3.34Å
1120	K	66.5	Low	60.5	Low	92 Å²	92	82.7 Å²	82.7	40%	0.4	44%	0.44	S	S	.	.			trans	-56.8	118.6	172.1	-75.2	177.6	-171.4	157.3	0	109.3	Y1043 D1047 L1118 N1122	Y1043-K1120 HydrophobicContact CD1-CD 4.23Å; Y1043-K1120 HydrophobicContact CD1-CG 3.69Å; Y1043-K1120 HydrophobicContact CE1-CG 3.55Å; Y1043-K1120 HydrophobicContact CG-CG 4.49Å; D1047-K1120 PolarHBondContact O-N 3.38Å; D1047-K1120 IonicContact OD1-NZ 3.85Å; D1047-K1120 PolarHBondContact OD1-NZ 3.42Å; L1118-K1120 PolarHBondContact O-N 2.85Å; K1120-N1122 PolarHBondContact O-N 2.82Å
1121	T	56.3	Low	57.5	Low	97 Å²	97	84 Å²	84	60%	0.595	46%	0.456	S	S	*	.			trans	-61.6	95.5	177.8	47.2	0	0	0	0	110.7	P1119 Y1123	P1119-T1121 PolarHBondContact O-N 3.34Å; T1121-Y1123 VanDerWaalsContact C-N 3.25Å
1122	N	42.5	Very low	54.3	Low	144 Å²	144	89.8 Å²	89.8	77%	0.77	49%	0.488	S	S	*	.			trans	-82.2	-2.6	169.5	-84	-29.3	0	0	0	112.9	K1120 S1124	K1120-N1122 PolarHBondContact O-N 2.82Å; N1122-S1124 PolarHBondContact O-N 3.06Å
1123	Y	41.9	Very low	51.2	Low	146 Å²	146	93.9 Å²	93.9	57%	0.573	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	5.7	-169.8	-71	-77.7	0	0	0	116.3	N857 T1121	N857-Y1123 HydrophobicContact CB-CD1 3.92Å; N857-Y1123 HydrophobicContact CB-CE1 4.01Å; N857-Y1123 WeakPolarHBondContact O-CE1 3.35Å; T1121-Y1123 VanDerWaalsContact C-N 3.25Å
1124	S	32.6	Very low	47.9	Very low	98 Å²	98	99.3 Å²	99.3	69%	0.685	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.4	46	-178.4	68.7	0	0	0	0	115.2	N1122	N1122-S1124 PolarHBondContact O-N 3.06Å
1125	K	26.5	Very low	44.6	Very low	207 Å²	207	102.9 Å²	102.9	90%	0.9	57%	0.573	S	S	*	*			trans	-102.5	28.2	154.3	-75.9	-170.1	-178.6	176.5	0	112.5	K1127	K1125-K1127 PolarHBondContact O-N 3.36Å; K1125-K1127 VanDerWaalsContact O-N 3.08Å
1126	G	27.1	Very low	41.6	Very low	67 Å²	67	110.7 Å²	110.7	69%	0.691	61%	0.609	S	S	*	*	S	Bend	trans	-61.8	109.3	160.9	0	0	0	0	0	108.4	L1128	G1126-L1128 PolarHBondContact O-N 3.47Å
1127	K	23.9	Very low	38.6	Very low	192 Å²	192	116.5 Å²	116.5	84%	0.835	64%	0.639	S	S	*	*			trans	-31	108.8	177.2	-77.6	168.9	171.4	172.6	0	111.5	K1125 V1129	K1125-K1127 PolarHBondContact O-N 3.36Å; K1125-K1127 VanDerWaalsContact O-N 3.08Å; K1127-V1129 PolarHBondContact O-N 2.82Å
1128	L	23.8	Very low	35.9	Very low	161 Å²	161	124.5 Å²	124.5	84%	0.843	68%	0.676	S	S	*	*			trans	-56.5	99	153.8	-89.5	121.3	0	0	0	106.2	G1126 T1130	G1126-L1128 PolarHBondContact O-N 3.47Å; L1128-T1130 PolarHBondContact O-N 2.96Å
1129	V	24.6	Very low	33.3	Very low	127 Å²	127	128.2 Å²	128.2	77%	0.77	70%	0.703	S	S	*	*			trans	-68	92.4	163.9	178.3	0	0	0	0	104.7	K1127 A1131	K1127-V1129 PolarHBondContact O-N 2.82Å; V1129-A1131 PolarHBondContact O-N 3.36Å
1130	T	23.4	Very low	31	Very low	113 Å²	113	133 Å²	133	69%	0.693	73%	0.731	S	S	*	*			trans	-63.1	78.5	164.8	45.1	0	0	0	0	107.6	L1128 N1132	L1128-T1130 PolarHBondContact O-N 2.96Å; T1130-N1132 PolarHBondContact O-N 3.49Å; T1130-N1132 VanDerWaalsContact O-N 3.15Å
1131	A	25.4	Very low	29.2	Very low	70 Å²	70	134 Å²	134	58%	0.579	75%	0.748	S	S	*	*			trans	-71.9	102	162.8	0	0	0	0	0	106.1	V1129 I1133	V1129-A1131 PolarHBondContact O-N 3.36Å; A1131-I1133 PolarHBondContact O-N 3.03Å
1132	N	23.3	Very low	28.2	Very low	151 Å²	151	134.2 Å²	134.2	81%	0.807	75%	0.75	S	S	*	*			trans	-58.5	85	169.7	-70.5	-28.5	0	0	0	109	T1130 T1134	T1130-N1132 PolarHBondContact O-N 3.49Å; T1130-N1132 VanDerWaalsContact O-N 3.15Å; N1132-T1134 PolarHBondContact O-N 3.2Å
1133	I	26.4	Very low	27.8	Very low	152 Å²	152	133.2 Å²	133.2	78%	0.779	75%	0.751	S	S	*	*			trans	-88.5	99.9	166	-59.3	177.8	0	0	0	105.4	A1131 T1135	A1131-I1133 PolarHBondContact O-N 3.03Å; I1133-T1135 PolarHBondContact O-N 2.86Å
1134	T	24.1	Very low	27.8	Very low	117 Å²	117	129.1 Å²	129.1	72%	0.718	74%	0.744	S	S	*	*			trans	-46.8	126.2	171.9	40	0	0	0	0	110.6	N1132 E1136	N1132-T1134 PolarHBondContact O-N 3.2Å; T1134-E1136 PolarHBondContact O-N 2.88Å
1135	T	23.1	Very low	28.2	Very low	136 Å²	136	130.4 Å²	130.4	83%	0.834	74%	0.742	S	S	*	*			trans	-57.2	97.2	172.7	45.2	0	0	0	0	110.9	I1133	I1133-T1135 PolarHBondContact O-N 2.86Å
1136	E	26.8	Very low	28.9	Very low	165 Å²	165	126.7 Å²	126.7	77%	0.771	73%	0.732	S	S	*	*			trans	-91.1	120.1	158.1	-76.6	-167.1	162.3	0	0	109.1	T1134 H1138	T1134-E1136 PolarHBondContact O-N 2.88Å; E1136-H1138 PolarHBondContact O-N 3.34Å
1137	N	26.1	Very low	29.9	Very low	160 Å²	160	127.8 Å²	127.8	86%	0.856	73%	0.726	S	S	*	*			trans	-58.9	95.6	178.8	-71.4	-39.4	0	0	0	111
1138	H	28.5	Very low	31.5	Very low	170 Å²	170	122.6 Å²	122.6	79%	0.787	71%	0.707	S	S	*	*			trans	-99.1	107.8	162.7	-84.6	-64.2	0	0	0	111	E1136	E1136-H1138 PolarHBondContact O-N 3.34Å
1139	S	29	Very low	32.6	Very low	92 Å²	92	120.3 Å²	120.3	64%	0.643	70%	0.695	S	S	*	*			trans	-41.3	132.6	170.7	54.4	0	0	0	0	114.4	C1141	S1139-C1141 PolarHBondContact O-N 3.13Å; S1139-C1141 VanDerWaalsContact O-N 3.1Å
1140	V	30	Very low	33.9	Very low	137 Å²	137	119.1 Å²	119.1	83%	0.83	68%	0.683	S	S	*	*			trans	4.6	90.1	146	-170.1	0	0	0	0	114.5
1141	C	28.6	Very low	36	Very low	112 Å²	112	119.8 Å²	119.8	76%	0.757	68%	0.677	S	S	*	*			trans	-92.1	107.2	167.3	-100.7	0	0	0	0	109.7	S1139	S1139-C1141 PolarHBondContact O-N 3.13Å; S1139-C1141 VanDerWaalsContact O-N 3.1Å
1142	T	34.1	Very low	38.1	Very low	102 Å²	102	120.7 Å²	120.7	63%	0.626	67%	0.672	S	S	*	*			trans	-57.5	167.1	166	35.3	0	0	0	0	112.1	S1144	T1142-S1144 VanDerWaalsContact C-N 3.28Å; T1142-S1144 PolarHBondContact O-N 3.42Å
1143	P	35	Very low	39.9	Very low	122 Å²	122	117.9 Å²	117.9	79%	0.792	66%	0.66	S	S	*	*	S	Bend	trans	-81	59.4	-153.7	35.1	-36.3	0	0	0	114.2
1144	S	41	Very low	42.1	Very low	60 Å²	60	116.5 Å²	116.5	42%	0.42	65%	0.65	S	S	.	*			trans	-87.2	-6.7	168.1	59.3	0	0	0	0	113.4	T1142 N1146 T1147 N1148	T1142-S1144 VanDerWaalsContact C-N 3.28Å; T1142-S1144 PolarHBondContact O-N 3.42Å; S1144-N1146 VanDerWaalsContact C-N 3.33Å; S1144-N1146 PolarHBondContact O-N 3Å; S1144-T1147 PolarHBondContact O-N 3.32Å; S1144-T1147 PolarHBondContact O-OG1 2.99Å; S1144-N1148 PolarHBondContact O-N 3.38Å
1145	L	42	Very low	44.6	Very low	126 Å²	126	115.1 Å²	115.1	66%	0.66	64%	0.638	S	S	*	*	H	α-helix	trans	-64	-33.1	177.9	-93.5	148.6	0	0	0	113.2	T1147 N1148 L1149	L1145-T1147 PolarHBondContact O-N 3.41Å; L1145-N1148 PolarHBondContact O-N 3.4Å; L1145-L1149 PolarHBondContact O-N 3.07Å
1146	N	40.2	Very low	46.9	Very low	128 Å²	128	113 Å²	113	68%	0.684	62%	0.621	S	S	*	*	H	α-helix	trans	-70.8	-30.5	178.4	-102.3	-4.9	0	0	0	113.2	S1144 I1150	S1144-N1146 VanDerWaalsContact C-N 3.33Å; S1144-N1146 PolarHBondContact O-N 3Å; N1146-I1150 WeakPolarHBondContact O-CG1 3.38Å
1147	T	48.3	Very low	48.6	Very low	90 Å²	90	108.1 Å²	108.1	55%	0.552	60%	0.6	S	S	*	*	H	α-helix	trans	-73.6	-30.4	174.3	38.5	0	0	0	0	112.3	S1144 L1145 K1151	S1144-T1147 PolarHBondContact O-N 3.32Å; S1144-T1147 PolarHBondContact O-OG1 2.99Å; L1145-T1147 PolarHBondContact O-N 3.41Å; T1147-K1151 WeakPolarHBondContact O-CB 3.32Å; T1147-K1151 PolarHBondContact O-N 3.47Å
1148	N	57.9	Low	50.9	Low	83 Å²	83	102.7 Å²	102.7	44%	0.444	58%	0.578	S	S	.	*	H	α-helix	trans	-71	-41.6	177	-71.5	-12.3	0	0	0	111.7	S1144 L1145 I1150 K1151 D1152	S1144-N1148 PolarHBondContact O-N 3.38Å; L1145-N1148 PolarHBondContact O-N 3.4Å; N1148-I1150 VanDerWaalsContact C-N 3.33Å; N1148-I1150 PolarHBondContact O-N 2.91Å; N1148-K1151 CarbonylContact O-C 3.56Å; N1148-K1151 WeakPolarHBondContact O-CB 3.48Å; N1148-K1151 PolarHBondContact O-N 2.97Å; N1148-K1151 VanDerWaalsContact O-N 3.08Å; N1148-D1152 VanDerWaalsContact O-CG 3.24Å; N1148-D1152 PolarHBondContact O-N 2.77Å
1149	L	47.4	Very low	53	Low	113 Å²	113	100 Å²	100	59%	0.592	57%	0.566	S	S	*	*	H	α-helix	trans	-62.6	-39.3	179.5	-144.5	97.8	0	0	0	112.7	L1145 K1151 D1152 V1153	L1145-L1149 PolarHBondContact O-N 3.07Å; L1149-K1151 VanDerWaalsContact C-N 3.32Å; L1149-D1152 PolarHBondContact O-N 3.4Å; L1149-V1153 VanDerWaalsContact O-CG2 3.31Å; L1149-V1153 WeakPolarHBondContact O-CG2 3.2Å; L1149-V1153 PolarHBondContact O-N 3.19Å
1150	I	52	Low	54.5	Low	103 Å²	103	102.2 Å²	102.2	53%	0.528	56%	0.56	S	S	.	*	H	α-helix	trans	-65.6	-39.6	175.4	-65.7	170.9	0	0	0	110.4	N1146 N1148 V1153 Q1154	N1146-I1150 WeakPolarHBondContact O-CG1 3.38Å; N1148-I1150 VanDerWaalsContact C-N 3.33Å; N1148-I1150 PolarHBondContact O-N 2.91Å; I1150-V1153 PolarHBondContact O-N 3.31Å; I1150-Q1154 WeakPolarHBondContact O-CB 3.46Å; I1150-Q1154 VanDerWaalsContact O-CG 3.27Å; I1150-Q1154 WeakPolarHBondContact O-CG 3.31Å; I1150-Q1154 PolarHBondContact O-N 2.89Å
1151	K	67.1	Low	55.8	Low	126 Å²	126	103 Å²	103	55%	0.548	55%	0.548	S	S	.	.	H	α-helix	trans	-67.2	-43.1	178.2	-141.6	177.2	-176.2	-175.9	0	111.4	T1147 N1148 L1149 V1153 Q1154 D1155	T1147-K1151 WeakPolarHBondContact O-CB 3.32Å; T1147-K1151 PolarHBondContact O-N 3.47Å; N1148-K1151 CarbonylContact O-C 3.56Å; N1148-K1151 WeakPolarHBondContact O-CB 3.48Å; N1148-K1151 PolarHBondContact O-N 2.97Å; N1148-K1151 VanDerWaalsContact O-N 3.08Å; L1149-K1151 VanDerWaalsContact C-N 3.32Å; K1151-V1153 VanDerWaalsContact C-N 3.34Å; K1151-V1153 PolarHBondContact O-N 3.48Å; K1151-Q1154 CarbonylContact O-C 3.58Å; K1151-Q1154 PolarHBondContact O-N 2.82Å; K1151-Q1154 VanDerWaalsContact O-N 3.15Å; K1151-D1155 WeakPolarHBondContact O-CB 3.39Å; K1151-D1155 VanDerWaalsContact O-CG 3.22Å; K1151-D1155 PolarHBondContact O-N 2.92Å
1152	D	68.7	Low	57.4	Low	89 Å²	89	103.7 Å²	103.7	48%	0.476	54%	0.54	S	S	.	.	H	α-helix	trans	-61.9	-41.1	176.2	-66.5	-17.8	0	0	0	111.5	N1148 L1149 D1155 I1156	N1148-D1152 VanDerWaalsContact O-CG 3.24Å; N1148-D1152 PolarHBondContact O-N 2.77Å; L1149-D1152 PolarHBondContact O-N 3.4Å; D1152-D1155 PolarHBondContact O-N 3.47Å; D1152-I1156 WeakPolarHBondContact O-CB 3.43Å; D1152-I1156 WeakPolarHBondContact O-CD1 3.46Å; D1152-I1156 WeakPolarHBondContact O-CG1 3.42Å; D1152-I1156 PolarHBondContact O-N 3.48Å
1153	V	62.6	Low	58.5	Low	93 Å²	93	106 Å²	106	56%	0.564	54%	0.541	S	S	*	.	H	α-helix	trans	-66.8	-39.2	175.1	172.4	0	0	0	0	111.5	L1149 I1150 K1151 D1157	L1149-V1153 VanDerWaalsContact O-CG2 3.31Å; L1149-V1153 WeakPolarHBondContact O-CG2 3.2Å; L1149-V1153 PolarHBondContact O-N 3.19Å; I1150-V1153 PolarHBondContact O-N 3.31Å; K1151-V1153 VanDerWaalsContact C-N 3.34Å; K1151-V1153 PolarHBondContact O-N 3.48Å; V1153-D1157 WeakPolarHBondContact O-CB 3.45Å; V1153-D1157 PolarHBondContact O-N 2.81Å
1154	Q	71.1	Confident	59.1	Low	122 Å²	122	108.4 Å²	108.4	57%	0.57	54%	0.535	S	S	*	.	H	α-helix	trans	-67.4	-39	175.7	-75.3	176.4	-3.7	0	0	112	I1150 K1151 D1157 A1158	I1150-Q1154 WeakPolarHBondContact O-CB 3.46Å; I1150-Q1154 VanDerWaalsContact O-CG 3.27Å; I1150-Q1154 WeakPolarHBondContact O-CG 3.31Å; I1150-Q1154 PolarHBondContact O-N 2.89Å; K1151-Q1154 CarbonylContact O-C 3.58Å; K1151-Q1154 PolarHBondContact O-N 2.82Å; K1151-Q1154 VanDerWaalsContact O-N 3.15Å; Q1154-D1157 PolarHBondContact O-N 3.08Å; Q1154-A1158 VanDerWaalsContact O-CB 3.27Å; Q1154-A1158 WeakPolarHBondContact O-CB 3.14Å; Q1154-A1158 PolarHBondContact O-N 3.36Å
1155	D	78	Confident	59.5	Low	88 Å²	88	111.6 Å²	111.6	47%	0.471	54%	0.543	S	S	.	.	H	α-helix	trans	-69.5	-39.5	177.6	-70.4	-20.9	0	0	0	110.6	K1151 D1152 A1158 E1159	K1151-D1155 WeakPolarHBondContact O-CB 3.39Å; K1151-D1155 VanDerWaalsContact O-CG 3.22Å; K1151-D1155 PolarHBondContact O-N 2.92Å; D1152-D1155 PolarHBondContact O-N 3.47Å; D1155-A1158 PolarHBondContact O-N 3.04Å; D1155-E1159 WeakPolarHBondContact O-CB 3.27Å; D1155-E1159 PolarHBondContact O-N 3.42Å
1156	I	70.3	Confident	59.9	Low	92 Å²	92	109.1 Å²	109.1	47%	0.472	53%	0.533	S	S	.	.	H	α-helix	trans	-65.4	-40.2	172.4	-69.3	166.1	0	0	0	111.6	D1152 R1160	D1152-I1156 WeakPolarHBondContact O-CB 3.43Å; D1152-I1156 WeakPolarHBondContact O-CD1 3.46Å; D1152-I1156 WeakPolarHBondContact O-CG1 3.42Å; D1152-I1156 PolarHBondContact O-N 3.48Å; I1156-R1160 WeakPolarHBondContact O-CB 3.46Å; I1156-R1160 WeakPolarHBondContact O-CG 3.44Å; I1156-R1160 PolarHBondContact O-N 3.5Å
1157	D	63	Low	59.8	Low	63 Å²	63	106.6 Å²	106.6	34%	0.337	53%	0.525	S	S	.	.	H	α-helix	trans	-68.7	-36.5	175.5	-166	59.2	0	0	0	111.5	V1153 Q1154 R1160 R1161	V1153-D1157 WeakPolarHBondContact O-CB 3.45Å; V1153-D1157 PolarHBondContact O-N 2.81Å; Q1154-D1157 PolarHBondContact O-N 3.08Å; D1157-R1160 PolarHBondContact O-N 3.34Å; D1157-R1161 WeakPolarHBondContact O-CG 3.17Å; D1157-R1161 PolarHBondContact O-N 3.32Å; D1157-R1161 IonicContact OD2-CZ 3.36Å; D1157-R1161 IonicContact OD2-NE 3.51Å; D1157-R1161 PolarHBondContact OD2-NE 3.38Å; D1157-R1161 VanDerWaalsContact OD2-NE 3.08Å; D1157-R1161 IonicContact OD2-NH2 3.8Å; D1157-R1161 PolarHBondContact OD2-NH2 2.89Å
1158	A	73.6	Confident	59.4	Low	46 Å²	46	108.4 Å²	108.4	38%	0.38	53%	0.531	S	S	.	.	H	α-helix	trans	-66	-43.4	173.5	0	0	0	0	0	111.8	Q1154 D1155 R1160 R1161 Q1162	Q1154-A1158 VanDerWaalsContact O-CB 3.27Å; Q1154-A1158 WeakPolarHBondContact O-CB 3.14Å; Q1154-A1158 PolarHBondContact O-N 3.36Å; D1155-A1158 PolarHBondContact O-N 3.04Å; A1158-R1160 VanDerWaalsContact C-N 3.33Å; A1158-R1160 PolarHBondContact O-N 3.2Å; A1158-R1161 PolarHBondContact O-N 2.78Å; A1158-Q1162 PolarHBondContact O-N 2.81Å
1159	E	73.3	Confident	58.4	Low	114 Å²	114	110.7 Å²	110.7	53%	0.533	54%	0.543	S	S	.	.	H	α-helix	trans	-62.8	-38.3	172.1	-82.9	-168.2	166.6	0	0	111.8	D1155 R1161 Q1162 K1163	D1155-E1159 WeakPolarHBondContact O-CB 3.27Å; D1155-E1159 PolarHBondContact O-N 3.42Å; E1159-R1161 VanDerWaalsContact C-N 3.35Å; E1159-Q1162 PolarHBondContact O-N 2.97Å; E1159-K1163 WeakPolarHBondContact O-CB 3.38Å; E1159-K1163 WeakPolarHBondContact O-CG 3.37Å; E1159-K1163 PolarHBondContact O-N 3.48Å
1160	R	59.5	Low	57.8	Low	138 Å²	138	112 Å²	112	52%	0.521	55%	0.546	S	S	.	.	H	α-helix	trans	-65	-38.2	173.6	-81.5	178.5	172.5	-173.4	-2.5	111.8	I1156 D1157 A1158 R1164	I1156-R1160 WeakPolarHBondContact O-CB 3.46Å; I1156-R1160 WeakPolarHBondContact O-CG 3.44Å; I1156-R1160 PolarHBondContact O-N 3.5Å; D1157-R1160 PolarHBondContact O-N 3.34Å; A1158-R1160 VanDerWaalsContact C-N 3.33Å; A1158-R1160 PolarHBondContact O-N 3.2Å; R1160-R1164 WeakPolarHBondContact O-CG 3.35Å; R1160-R1164 PolarHBondContact O-N 2.89Å
1161	R	58.1	Low	57.1	Low	153 Å²	153	115.6 Å²	115.6	58%	0.577	56%	0.56	S	S	*	*	H	α-helix	trans	-67.4	-43	173.7	-72.7	177.5	-159.7	177.6	4.7	111.6	D1157 A1158 E1159 R1164 E1165	D1157-R1161 WeakPolarHBondContact O-CG 3.17Å; D1157-R1161 PolarHBondContact O-N 3.32Å; D1157-R1161 IonicContact OD2-CZ 3.36Å; D1157-R1161 IonicContact OD2-NE 3.51Å; D1157-R1161 PolarHBondContact OD2-NE 3.38Å; D1157-R1161 VanDerWaalsContact OD2-NE 3.08Å; D1157-R1161 IonicContact OD2-NH2 3.8Å; D1157-R1161 PolarHBondContact OD2-NH2 2.89Å; A1158-R1161 PolarHBondContact O-N 2.78Å; E1159-R1161 VanDerWaalsContact C-N 3.35Å; R1161-R1164 WeakPolarHBondContact O-CB 3.49Å; R1161-R1164 PolarHBondContact O-N 2.89Å; R1161-E1165 WeakPolarHBondContact O-CG 3.44Å; R1161-E1165 PolarHBondContact O-N 2.8Å
1162	Q	62.9	Low	55.8	Low	126 Å²	126	115.6 Å²	115.6	59%	0.589	57%	0.57	S	S	*	*	H	α-helix	trans	-63.8	-40.6	173.5	-85.7	-173.5	-8.3	0	0	112.1	A1158 E1159 R1164 E1165 V1166	A1158-Q1162 PolarHBondContact O-N 2.81Å; E1159-Q1162 PolarHBondContact O-N 2.97Å; Q1162-R1164 VanDerWaalsContact C-N 3.29Å; Q1162-R1164 PolarHBondContact O-N 3.33Å; Q1162-E1165 CarbonylContact O-C 3.05Å; Q1162-E1165 PolarHBondContact O-N 3.42Å; Q1162-E1165 VanDerWaalsContact O-N 3.11Å; Q1162-V1166 WeakPolarHBondContact O-CB 3.43Å; Q1162-V1166 VanDerWaalsContact O-CG2 3.28Å; Q1162-V1166 WeakPolarHBondContact O-CG2 3.25Å; Q1162-V1166 PolarHBondContact O-N 2.78Å
1163	K	56.9	Low	54.7	Low	150 Å²	150	114 Å²	114	65%	0.652	56%	0.562	S	S	*	*	H	α-helix	trans	-63.6	-35.1	174.1	-84.3	179.9	175.8	170.6	0	112.1	E1159 V1166 S1167	E1159-K1163 WeakPolarHBondContact O-CB 3.38Å; E1159-K1163 WeakPolarHBondContact O-CG 3.37Å; E1159-K1163 PolarHBondContact O-N 3.48Å; K1163-V1166 PolarHBondContact O-N 3.24Å; K1163-S1167 VanDerWaalsContact O-CB 3.31Å; K1163-S1167 WeakPolarHBondContact O-CB 3.45Å; K1163-S1167 PolarHBondContact O-N 3.45Å; K1163-S1167 PolarHBondContact O-OG 3.15Å; K1163-S1167 VanDerWaalsContact O-OG 3.12Å
1164	R	46.6	Very low	54	Low	174 Å²	174	112.8 Å²	112.8	66%	0.657	56%	0.555	S	S	*	*	H	α-helix	trans	-64	-42.4	170.2	-74.6	173.7	179.3	175.2	0.6	111.5	R1160 R1161 Q1162 S1167 D1168	R1160-R1164 WeakPolarHBondContact O-CG 3.35Å; R1160-R1164 PolarHBondContact O-N 2.89Å; R1161-R1164 WeakPolarHBondContact O-CB 3.49Å; R1161-R1164 PolarHBondContact O-N 2.89Å; Q1162-R1164 VanDerWaalsContact C-N 3.29Å; Q1162-R1164 PolarHBondContact O-N 3.33Å; R1164-S1167 WeakPolarHBondContact CA-OG 3.49Å; R1164-S1167 PolarHBondContact O-OG 2.9Å; R1164-D1168 PolarHBondContact O-N 3.36Å; R1164-D1168 VanDerWaalsContact O-N 3.14Å
1165	E	50.3	Low	53.3	Low	127 Å²	127	111 Å²	111	59%	0.593	56%	0.556	S	S	*	*	H	α-helix	trans	-68.3	-34.9	176.4	-72.1	178.6	173.9	0	0	113.1	R1161 Q1162 D1168	R1161-E1165 WeakPolarHBondContact O-CG 3.44Å; R1161-E1165 PolarHBondContact O-N 2.8Å; Q1162-E1165 CarbonylContact O-C 3.05Å; Q1162-E1165 PolarHBondContact O-N 3.42Å; Q1162-E1165 VanDerWaalsContact O-N 3.11Å; E1165-D1168 PolarHBondContact O-N 2.82Å
1166	V	49.6	Very low	52.2	Low	74 Å²	74	113.8 Å²	113.8	45%	0.448	56%	0.564	S	S	.	*	H	α-helix	trans	-77.5	-35.8	177.3	175.7	0	0	0	0	111.1	Q1162 K1163 D1168 L1169 E1170	Q1162-V1166 WeakPolarHBondContact O-CB 3.43Å; Q1162-V1166 VanDerWaalsContact O-CG2 3.28Å; Q1162-V1166 WeakPolarHBondContact O-CG2 3.25Å; Q1162-V1166 PolarHBondContact O-N 2.78Å; K1163-V1166 PolarHBondContact O-N 3.24Å; V1166-D1168 PolarHBondContact O-N 3.17Å; V1166-L1169 WeakPolarHBondContact O-CA 3.28Å; V1166-L1169 WeakPolarHBondContact O-CB 3.48Å; V1166-L1169 PolarHBondContact O-N 2.77Å; V1166-E1170 PolarHBondContact O-N 3.27Å; V1166-E1170 VanDerWaalsContact O-N 3.08Å
1167	S	39.5	Very low	51.5	Low	75 Å²	75	118.1 Å²	118.1	52%	0.524	57%	0.574	S	S	.	*	H	α-helix	trans	-64.9	-27	171.7	64.6	0	0	0	0	112.3	K1163 R1164 L1169	K1163-S1167 VanDerWaalsContact O-CB 3.31Å; K1163-S1167 WeakPolarHBondContact O-CB 3.45Å; K1163-S1167 PolarHBondContact O-N 3.45Å; K1163-S1167 PolarHBondContact O-OG 3.15Å; K1163-S1167 VanDerWaalsContact O-OG 3.12Å; R1164-S1167 WeakPolarHBondContact CA-OG 3.49Å; R1164-S1167 PolarHBondContact O-OG 2.9Å; S1167-L1169 PolarHBondContact O-N 3.08Å
1168	D	39.2	Very low	51.5	Low	128 Å²	128	122.2 Å²	122.2	68%	0.684	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	-12.2	170.7	-74.3	-14.6	0	0	0	112.9	R1164 E1165 V1166	R1164-D1168 PolarHBondContact O-N 3.36Å; R1164-D1168 VanDerWaalsContact O-N 3.14Å; E1165-D1168 PolarHBondContact O-N 2.82Å; V1166-D1168 PolarHBondContact O-N 3.17Å
1169	L	37.3	Very low	51.5	Low	130 Å²	130	126 Å²	126	68%	0.681	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.4	-19.2	179.1	-71.9	164.7	0	0	0	113.7	V1166 S1167 H1171	V1166-L1169 WeakPolarHBondContact O-CA 3.28Å; V1166-L1169 WeakPolarHBondContact O-CB 3.48Å; V1166-L1169 PolarHBondContact O-N 2.77Å; S1167-L1169 PolarHBondContact O-N 3.08Å; L1169-H1171 PolarHBondContact O-N 2.86Å
1170	E	34.6	Very low	51.2	Low	142 Å²	142	125.4 Å²	125.4	66%	0.664	60%	0.598	S	S	*	*	S	Bend	trans	-87	104.1	176.3	-73.1	-172.2	172.6	0	0	111.6	V1166	V1166-E1170 PolarHBondContact O-N 3.27Å; V1166-E1170 VanDerWaalsContact O-N 3.08Å
1171	H	36	Very low	51.6	Low	177 Å²	177	123 Å²	123	82%	0.819	60%	0.595	S	S	*	*	S	Bend	trans	83.2	119.4	167.6	-72.9	-81.8	0	0	0	118.8	L1169	L1169-H1171 PolarHBondContact O-N 2.86Å
1172	V	40.3	Very low	52.5	Low	126 Å²	126	118.5 Å²	118.5	76%	0.764	59%	0.591	S	S	*	*	S	Bend	trans	89.7	75.3	164.2	-158.3	0	0	0	0	116	V1174	V1172-V1174 PolarHBondContact O-N 2.81Å
1173	D	46.5	Very low	53	Low	56 Å²	56	117.6 Å²	117.6	30%	0.299	59%	0.586	S	S	.	*			trans	67.1	48	135.3	-141	-17.2	0	0	0	117	S1175 K1176 R1177	D1173-S1175 PolarHBondContact O-N 3.39Å; D1173-S1175 VanDerWaalsContact O-N 3.1Å; D1173-S1175 PolarHBondContact OD1-OG 3.13Å; D1173-K1176 HydrophobicContact CB-CB 4.23Å; D1173-K1176 VanDerWaalsContact CG-CG 3.47Å; D1173-K1176 PolarHBondContact O-N 2.95Å; D1173-K1176 WeakPolarHBondContact OD1-CG 3.46Å; D1173-K1176 PolarHBondContact OD1-N 2.82Å; D1173-K1176 WeakPolarHBondContact OD2-CD 3.49Å; D1173-K1176 WeakPolarHBondContact OD2-CE 3.5Å; D1173-K1176 VanDerWaalsContact OD2-CG 3.23Å; D1173-K1176 WeakPolarHBondContact OD2-CG 3.44Å; D1173-K1176 IonicContact OD2-NZ 3.24Å; D1173-K1176 PolarHBondContact OD2-NZ 3.43Å; D1173-R1177 PolarHBondContact O-N 3.01Å
1174	V	46.9	Very low	53.6	Low	68 Å²	68	113.9 Å²	113.9	41%	0.412	57%	0.573	S	S	.	*	H	α-helix	trans	-50.3	-30.5	166.2	178.7	0	0	0	0	111.4	V1172 R1177 K1178	V1172-V1174 PolarHBondContact O-N 2.81Å; V1174-R1177 PolarHBondContact O-N 2.88Å; V1174-K1178 HydrophobicContact CG1-CD 4.22Å; V1174-K1178 HydrophobicContact CG1-CG 4.28Å; V1174-K1178 WeakPolarHBondContact O-CB 3.43Å; V1174-K1178 WeakPolarHBondContact O-CG 3.25Å; V1174-K1178 PolarHBondContact O-N 3.16Å
1175	S	57.5	Low	54.8	Low	85 Å²	85	112.2 Å²	112.2	59%	0.594	57%	0.573	S	S	*	*	H	α-helix	trans	-59.1	-52.6	171.7	28.4	0	0	0	0	113	D1173 R1177 K1178 H1179	D1173-S1175 PolarHBondContact O-N 3.39Å; D1173-S1175 VanDerWaalsContact O-N 3.1Å; D1173-S1175 PolarHBondContact OD1-OG 3.13Å; S1175-R1177 VanDerWaalsContact C-N 3.34Å; S1175-R1177 PolarHBondContact O-N 3.4Å; S1175-K1178 PolarHBondContact O-N 3.39Å; S1175-H1179 WeakPolarHBondContact O-CB 3.33Å; S1175-H1179 PolarHBondContact O-N 3.1Å
1176	K	54.9	Low	56.3	Low	146 Å²	146	110.1 Å²	110.1	64%	0.635	57%	0.566	S	S	*	*	H	α-helix	trans	-63.4	-39.5	174.5	-81.5	-171.6	-165.3	127.4	0	112	D1173 H1179 L1180	D1173-K1176 HydrophobicContact CB-CB 4.23Å; D1173-K1176 VanDerWaalsContact CG-CG 3.47Å; D1173-K1176 PolarHBondContact O-N 2.95Å; D1173-K1176 WeakPolarHBondContact OD1-CG 3.46Å; D1173-K1176 PolarHBondContact OD1-N 2.82Å; D1173-K1176 WeakPolarHBondContact OD2-CD 3.49Å; D1173-K1176 WeakPolarHBondContact OD2-CE 3.5Å; D1173-K1176 VanDerWaalsContact OD2-CG 3.23Å; D1173-K1176 WeakPolarHBondContact OD2-CG 3.44Å; D1173-K1176 IonicContact OD2-NZ 3.24Å; D1173-K1176 PolarHBondContact OD2-NZ 3.43Å; K1176-H1179 PolarHBondContact O-N 2.64Å; K1176-L1180 VanDerWaalsContact O-CB 3.27Å; K1176-L1180 WeakPolarHBondContact O-CB 3.47Å; K1176-L1180 PolarHBondContact O-N 2.77Å
1177	R	54.4	Low	57.4	Low	182 Å²	182	117.1 Å²	117.1	69%	0.687	58%	0.584	S	S	*	*	H	α-helix	trans	-62.5	-45.7	176.5	-113.6	179	-179.7	164.6	-0.1	112	D1173 V1174 S1175 H1179 L1180 I1181	D1173-R1177 PolarHBondContact O-N 3.01Å; V1174-R1177 PolarHBondContact O-N 2.88Å; S1175-R1177 VanDerWaalsContact C-N 3.34Å; S1175-R1177 PolarHBondContact O-N 3.4Å; R1177-H1179 VanDerWaalsContact C-N 3.33Å; R1177-H1179 PolarHBondContact O-N 3.18Å; R1177-L1180 PolarHBondContact O-N 3.28Å; R1177-I1181 WeakPolarHBondContact O-CB 3.43Å; R1177-I1181 WeakPolarHBondContact O-CD1 3.41Å; R1177-I1181 WeakPolarHBondContact O-CG1 3.37Å; R1177-I1181 PolarHBondContact O-N 3.09Å
1178	K	64.6	Low	59.2	Low	149 Å²	149	117.5 Å²	117.5	65%	0.648	59%	0.586	S	S	*	*	H	α-helix	trans	-63.5	-38.8	175.1	-79.1	-176.6	178.1	178.4	0	111.8	V1174 S1175 A1182	V1174-K1178 HydrophobicContact CG1-CD 4.22Å; V1174-K1178 HydrophobicContact CG1-CG 4.28Å; V1174-K1178 WeakPolarHBondContact O-CB 3.43Å; V1174-K1178 WeakPolarHBondContact O-CG 3.25Å; V1174-K1178 PolarHBondContact O-N 3.16Å; S1175-K1178 PolarHBondContact O-N 3.39Å; K1178-A1182 VanDerWaalsContact O-CB 3.22Å; K1178-A1182 WeakPolarHBondContact O-CB 2.98Å; K1178-A1182 PolarHBondContact O-N 3.22Å
1179	H	71.6	Confident	61.1	Low	125 Å²	125	112.1 Å²	112.1	58%	0.579	56%	0.559	S	S	*	*	H	α-helix	trans	-67.7	-40.7	176.5	-154.7	71.5	0	0	0	111.9	S1175 K1176 R1177 A1182 Q1183	S1175-H1179 WeakPolarHBondContact O-CB 3.33Å; S1175-H1179 PolarHBondContact O-N 3.1Å; K1176-H1179 PolarHBondContact O-N 2.64Å; R1177-H1179 VanDerWaalsContact C-N 3.33Å; R1177-H1179 PolarHBondContact O-N 3.18Å; H1179-A1182 PolarHBondContact O-N 3.15Å; H1179-Q1183 WeakPolarHBondContact O-CB 3.05Å; H1179-Q1183 WeakPolarHBondContact O-CG 3.42Å; H1179-Q1183 PolarHBondContact O-N 3.16Å
1180	L	67.1	Low	63	Low	103 Å²	103	113 Å²	113	54%	0.539	56%	0.564	S	S	.	*	H	α-helix	trans	-65.5	-44.7	175.4	-166.7	75.8	0	0	0	111.4	K1176 R1177 Q1183 L1184	K1176-L1180 VanDerWaalsContact O-CB 3.27Å; K1176-L1180 WeakPolarHBondContact O-CB 3.47Å; K1176-L1180 PolarHBondContact O-N 2.77Å; R1177-L1180 PolarHBondContact O-N 3.28Å; L1180-Q1183 WeakPolarHBondContact O-CB 3.42Å; L1180-Q1183 PolarHBondContact O-N 3.47Å; L1180-L1184 WeakPolarHBondContact O-CG 3Å; L1180-L1184 PolarHBondContact O-N 3.45Å
1181	I	69.5	Low	65	Low	87 Å²	87	112.3 Å²	112.3	45%	0.446	56%	0.556	S	S	.	*	H	α-helix	trans	-62.1	-44.1	174.8	-69.4	165.7	0	0	0	110.3	R1177 Q1183 L1184 H1185	R1177-I1181 WeakPolarHBondContact O-CB 3.43Å; R1177-I1181 WeakPolarHBondContact O-CD1 3.41Å; R1177-I1181 WeakPolarHBondContact O-CG1 3.37Å; R1177-I1181 PolarHBondContact O-N 3.09Å; I1181-Q1183 VanDerWaalsContact C-N 3.31Å; I1181-Q1183 PolarHBondContact O-N 3.23Å; I1181-L1184 PolarHBondContact O-N 3.18Å; I1181-L1184 VanDerWaalsContact O-N 3.16Å; I1181-H1185 PolarHBondContact O-CD2 2.93Å; I1181-H1185 PolarHBondContact O-N 3.46Å; I1181-H1185 VanDerWaalsContact O-N 3.12Å
1182	A	75.6	Confident	66.9	Low	59 Å²	59	107.5 Å²	107.5	49%	0.488	53%	0.533	S	S	.	.	H	α-helix	trans	-61.7	-39	175.8	0	0	0	0	0	112.1	K1178 H1179 H1185 D1186	K1178-A1182 VanDerWaalsContact O-CB 3.22Å; K1178-A1182 WeakPolarHBondContact O-CB 2.98Å; K1178-A1182 PolarHBondContact O-N 3.22Å; H1179-A1182 PolarHBondContact O-N 3.15Å; A1182-H1185 PolarHBondContact O-N 3.35Å; A1182-D1186 PolarHBondContact O-N 3.38Å
1183	Q	73.6	Confident	68.7	Low	106 Å²	106	109.7 Å²	109.7	50%	0.495	53%	0.528	S	S	.	.	H	α-helix	trans	-65.3	-36.7	173.5	-78.3	-178.8	-6	0	0	112.5	H1179 L1180 I1181 H1185 D1186 S1189	H1179-Q1183 WeakPolarHBondContact O-CB 3.05Å; H1179-Q1183 WeakPolarHBondContact O-CG 3.42Å; H1179-Q1183 PolarHBondContact O-N 3.16Å; L1180-Q1183 WeakPolarHBondContact O-CB 3.42Å; L1180-Q1183 PolarHBondContact O-N 3.47Å; I1181-Q1183 VanDerWaalsContact C-N 3.31Å; I1181-Q1183 PolarHBondContact O-N 3.23Å; Q1183-H1185 VanDerWaalsContact C-N 3.29Å; Q1183-H1185 PolarHBondContact O-N 3.04Å; Q1183-D1186 WeakPolarHBondContact O-CB 3.47Å; Q1183-D1186 PolarHBondContact O-N 2.98Å; Q1183-S1189 WeakPolarHBondContact O-CB 3.5Å
1184	L	69.7	Low	69.9	Low	73 Å²	73	113.6 Å²	113.6	38%	0.382	54%	0.542	S	S	.	.	H	α-helix	trans	-66.4	-30.7	175.5	-70.5	168	0	0	0	112.7	L1180 I1181 S1189 Y1191 H1192	L1180-L1184 WeakPolarHBondContact O-CG 3Å; L1180-L1184 PolarHBondContact O-N 3.45Å; I1181-L1184 PolarHBondContact O-N 3.18Å; I1181-L1184 VanDerWaalsContact O-N 3.16Å; L1184-S1189 PolarHBondContact O-OG 3.5Å; L1184-Y1191 HydrophobicContact CD2-CD2 4.37Å; L1184-Y1191 HydrophobicContact CD2-CG 4.11Å; L1184-H1192 PolarHBondContact O-ND1 2.89Å
1185	H	72.9	Confident	71.2	Confident	139 Å²	139	114.5 Å²	114.5	64%	0.644	54%	0.542	S	S	*	.	H	α-helix	trans	-83.6	-9.7	176.6	-72.9	-65.2	0	0	0	114.2	I1181 A1182 Q1183 R1187	I1181-H1185 PolarHBondContact O-CD2 2.93Å; I1181-H1185 PolarHBondContact O-N 3.46Å; I1181-H1185 VanDerWaalsContact O-N 3.12Å; A1182-H1185 PolarHBondContact O-N 3.35Å; Q1183-H1185 VanDerWaalsContact C-N 3.29Å; Q1183-H1185 PolarHBondContact O-N 3.04Å; H1185-R1187 PolarHBondContact O-N 3.28Å
1186	D	80.3	Confident	72	Confident	83 Å²	83	117 Å²	117	44%	0.444	54%	0.542	S	S	.	.	S	Bend	trans	-65.2	129.9	168.5	-172.1	-5.5	0	0	0	109.3	A1182 Q1183 S1188 S1189	A1182-D1186 PolarHBondContact O-N 3.38Å; Q1183-D1186 WeakPolarHBondContact O-CB 3.47Å; Q1183-D1186 PolarHBondContact O-N 2.98Å; D1186-S1188 PolarHBondContact O-N 3.11Å; D1186-S1188 VanDerWaalsContact O-N 3.16Å; D1186-S1188 PolarHBondContact OD1-N 2.64Å; D1186-S1188 PolarHBondContact OD1-OG 3.25Å; D1186-S1188 PolarHBondContact OD2-OG 2.78Å; D1186-S1189 WeakPolarHBondContact O-CB 3.24Å; D1186-S1189 PolarHBondContact O-N 3.35Å; D1186-S1189 PolarHBondContact O-OG 2.83Å
1187	R	73.2	Confident	72.9	Confident	221 Å²	221	115.1 Å²	115.1	83%	0.834	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-20.6	175.7	-70	-172.9	176.1	-170.8	-0.3	112.1	H1185 S1189	H1185-R1187 PolarHBondContact O-N 3.28Å; R1187-S1189 VanDerWaalsContact C-N 3.31Å
1188	S	78	Confident	73.5	Confident	82 Å²	82	110.1 Å²	110.1	57%	0.573	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-10.5	175	83.4	0	0	0	0	114	D1186	D1186-S1188 PolarHBondContact O-N 3.11Å; D1186-S1188 VanDerWaalsContact O-N 3.16Å; D1186-S1188 PolarHBondContact OD1-N 2.64Å; D1186-S1188 PolarHBondContact OD1-OG 3.25Å; D1186-S1188 PolarHBondContact OD2-OG 2.78Å
1189	S	79.1	Confident	73.7	Confident	16 Å²	16	111.7 Å²	111.7	11%	0.112	53%	0.527	C	S	.	.	S	Bend	trans	-66.4	152.6	-172.7	71.5	0	0	0	0	113.9	Q1183 L1184 D1186 R1187 Y1191 H1192 R1193	Q1183-S1189 WeakPolarHBondContact O-CB 3.5Å; L1184-S1189 PolarHBondContact O-OG 3.5Å; D1186-S1189 WeakPolarHBondContact O-CB 3.24Å; D1186-S1189 PolarHBondContact O-N 3.35Å; D1186-S1189 PolarHBondContact O-OG 2.83Å; R1187-S1189 VanDerWaalsContact C-N 3.31Å; S1189-Y1191 PolarHBondContact O-N 3.07Å; S1189-H1192 PolarHBondContact O-N 2.7Å; S1189-H1192 PolarHBondContact OG-N 3.48Å; S1189-R1193 PolarHBondContact O-N 3.41Å
1190	L	76.2	Confident	73.6	Confident	149 Å²	149	110.3 Å²	110.3	78%	0.78	52%	0.521	S	S	*	.	H	α-helix	trans	-55.5	-35.6	171.7	-90.6	161.7	0	0	0	111.9	R1193 F1194	L1190-R1193 PolarHBondContact O-N 3.1Å; L1190-F1194 VanDerWaalsContact O-CB 3.32Å; L1190-F1194 WeakPolarHBondContact O-CB 3.37Å; L1190-F1194 PolarHBondContact O-N 3.3Å
1191	Y	77.5	Confident	73.2	Confident	126 Å²	126	108.1 Å²	108.1	49%	0.494	51%	0.514	S	S	.	.	H	α-helix	trans	-60.6	-50.8	176.9	-179.8	-97	0	0	0	112	L1184 S1189 R1193 F1194 H1195	L1184-Y1191 HydrophobicContact CD2-CD2 4.37Å; L1184-Y1191 HydrophobicContact CD2-CG 4.11Å; S1189-Y1191 PolarHBondContact O-N 3.07Å; Y1191-R1193 VanDerWaalsContact C-N 3.35Å; Y1191-R1193 PolarHBondContact O-N 2.85Å; Y1191-F1194 PolarHBondContact O-N 2.69Å; Y1191-H1195 AromaticContact CE1-CD2 3.99Å; Y1191-H1195 AromaticContact CZ-CD2 3.7Å; Y1191-H1195 PolarHBondContact O-N 3.02Å
1192	H	76.5	Confident	72.5	Confident	76 Å²	76	108.7 Å²	108.7	35%	0.352	52%	0.518	S	S	.	.	H	α-helix	trans	-65.8	-36.4	176.5	-92	79.4	0	0	0	112.4	L1184 S1189 K1196	L1184-H1192 PolarHBondContact O-ND1 2.89Å; S1189-H1192 PolarHBondContact O-N 2.7Å; S1189-H1192 PolarHBondContact OG-N 3.48Å; H1192-K1196 WeakPolarHBondContact O-CB 3.35Å; H1192-K1196 PolarHBondContact O-N 3.09Å
1193	R	76.9	Confident	71.5	Confident	172 Å²	172	112.4 Å²	112.4	65%	0.649	53%	0.525	S	S	*	.	H	α-helix	trans	-62.8	-44.4	173.4	-88.9	-178	169.8	-179.3	-1.4	112.4	S1189 L1190 Y1191 K1196 L1197	S1189-R1193 PolarHBondContact O-N 3.41Å; L1190-R1193 PolarHBondContact O-N 3.1Å; Y1191-R1193 VanDerWaalsContact C-N 3.35Å; Y1191-R1193 PolarHBondContact O-N 2.85Å; R1193-K1196 PolarHBondContact O-N 2.71Å; R1193-L1197 WeakPolarHBondContact O-CG 3.42Å; R1193-L1197 PolarHBondContact O-N 2.93Å
1194	F	72.7	Confident	70.6	Confident	138 Å²	138	112.7 Å²	112.7	61%	0.605	53%	0.53	S	S	*	.	H	α-helix	trans	-66.1	-43	179.6	-158.5	-93.4	0	0	0	111.2	L1190 Y1191 K1196 L1197 L1198	L1190-F1194 VanDerWaalsContact O-CB 3.32Å; L1190-F1194 WeakPolarHBondContact O-CB 3.37Å; L1190-F1194 PolarHBondContact O-N 3.3Å; Y1191-F1194 PolarHBondContact O-N 2.69Å; F1194-K1196 VanDerWaalsContact C-N 3.29Å; F1194-K1196 PolarHBondContact O-N 2.86Å; F1194-L1197 WeakPolarHBondContact O-CB 3.47Å; F1194-L1197 PolarHBondContact O-N 3.11Å; F1194-L1198 HydrophobicContact CD1-CD1 3.73Å; F1194-L1198 HydrophobicContact CE1-CD1 3.7Å; F1194-L1198 HydrophobicContact CE1-CG 4.47Å; F1194-L1198 PolarHBondContact O-N 3.2Å
1195	H	73.2	Confident	69.4	Low	88 Å²	88	115.2 Å²	115.2	41%	0.407	54%	0.54	S	S	.	.	H	α-helix	trans	-64.4	-33.2	174.5	-113.9	-66.6	0	0	0	113.2	Y1191 R1199	Y1191-H1195 AromaticContact CE1-CD2 3.99Å; Y1191-H1195 AromaticContact CZ-CD2 3.7Å; Y1191-H1195 PolarHBondContact O-N 3.02Å; H1195-R1199 PolarHBondContact O-N 3.1Å
1196	K	74.7	Confident	68.3	Low	136 Å²	136	116 Å²	116	59%	0.591	55%	0.546	S	S	*	.	H	α-helix	trans	-68.2	-40.9	173.7	-165.4	179.2	-178.5	-175.8	0	111.4	H1192 R1193 F1194 R1199 Q1200	H1192-K1196 WeakPolarHBondContact O-CB 3.35Å; H1192-K1196 PolarHBondContact O-N 3.09Å; R1193-K1196 PolarHBondContact O-N 2.71Å; F1194-K1196 VanDerWaalsContact C-N 3.29Å; F1194-K1196 PolarHBondContact O-N 2.86Å; K1196-R1199 PolarHBondContact O-N 2.81Å; K1196-Q1200 WeakPolarHBondContact O-CG 3.47Å; K1196-Q1200 PolarHBondContact O-N 3.22Å
1197	L	74.4	Confident	66.8	Low	107 Å²	107	120.4 Å²	120.4	56%	0.56	56%	0.564	S	S	*	*	H	α-helix	trans	-64	-40.3	173.6	-76.2	165.1	0	0	0	112.4	R1193 F1194 R1199 Q1200 S1201	R1193-L1197 WeakPolarHBondContact O-CG 3.42Å; R1193-L1197 PolarHBondContact O-N 2.93Å; F1194-L1197 WeakPolarHBondContact O-CB 3.47Å; F1194-L1197 PolarHBondContact O-N 3.11Å; L1197-R1199 VanDerWaalsContact C-N 3.34Å; L1197-R1199 PolarHBondContact O-N 3.43Å; L1197-Q1200 PolarHBondContact O-N 3.03Å; L1197-S1201 PolarHBondContact O-N 2.94Å; L1197-S1201 PolarHBondContact O-OG 2.97Å
1198	L	66.7	Low	65.4	Low	77 Å²	77	115.4 Å²	115.4	40%	0.403	56%	0.558	S	S	.	*	H	α-helix	trans	-62.6	-38.4	173.8	-98.6	156.2	0	0	0	112.6	F1194 S1201 N1202	F1194-L1198 HydrophobicContact CD1-CD1 3.73Å; F1194-L1198 HydrophobicContact CE1-CD1 3.7Å; F1194-L1198 HydrophobicContact CE1-CG 4.47Å; F1194-L1198 PolarHBondContact O-N 3.2Å; L1198-S1201 WeakPolarHBondContact CA-OG 3.35Å; L1198-S1201 PolarHBondContact O-OG 3.09Å; L1198-S1201 VanDerWaalsContact O-OG 3.05Å; L1198-N1202 PolarHBondContact O-N 3.06Å
1199	R	68.6	Low	63.6	Low	183 Å²	183	120.7 Å²	120.7	69%	0.691	58%	0.58	S	S	*	*	H	α-helix	trans	-70.2	-39.5	174.2	-79.8	-172.9	-178.1	-179	1.2	112.6	H1195 K1196 L1197 N1202 E1203	H1195-R1199 PolarHBondContact O-N 3.1Å; K1196-R1199 PolarHBondContact O-N 2.81Å; L1197-R1199 VanDerWaalsContact C-N 3.34Å; L1197-R1199 PolarHBondContact O-N 3.43Å; R1199-N1202 PolarHBondContact O-N 2.85Å; R1199-E1203 PolarHBondContact O-N 3.08Å
1200	Q	68.7	Low	62.8	Low	95 Å²	95	126 Å²	126	44%	0.444	60%	0.603	S	S	.	*	H	α-helix	trans	-67.3	-39.5	178.2	-74.2	179.9	-38.3	0	0	112.1	K1196 L1197 N1202 E1203 D1204	K1196-Q1200 WeakPolarHBondContact O-CG 3.47Å; K1196-Q1200 PolarHBondContact O-N 3.22Å; L1197-Q1200 PolarHBondContact O-N 3.03Å; Q1200-N1202 VanDerWaalsContact C-N 3.35Å; Q1200-N1202 PolarHBondContact O-N 2.95Å; Q1200-E1203 PolarHBondContact O-N 3.02Å; Q1200-D1204 PolarHBondContact O-N 2.86Å
1201	S	59.7	Low	62.1	Low	57 Å²	57	124.7 Å²	124.7	40%	0.399	59%	0.594	S	S	.	*	H	α-helix	trans	-64.5	-37.3	174.4	40.7	0	0	0	0	112.8	L1197 L1198 E1205	L1197-S1201 PolarHBondContact O-N 2.94Å; L1197-S1201 PolarHBondContact O-OG 2.97Å; L1198-S1201 WeakPolarHBondContact CA-OG 3.35Å; L1198-S1201 PolarHBondContact O-OG 3.09Å; L1198-S1201 VanDerWaalsContact O-OG 3.05Å; S1201-E1205 PolarHBondContact O-N 2.88Å
1202	N	54.7	Low	61.2	Low	100 Å²	100	124.7 Å²	124.7	54%	0.535	60%	0.6	S	S	.	*	H	α-helix	trans	-72.6	-26.9	174.4	-81	1	0	0	0	113.8	L1198 R1199 Q1200 M1206	L1198-N1202 PolarHBondContact O-N 3.06Å; R1199-N1202 PolarHBondContact O-N 2.85Å; Q1200-N1202 VanDerWaalsContact C-N 3.35Å; Q1200-N1202 PolarHBondContact O-N 2.95Å; N1202-M1206 PolarHBondContact O-N 2.8Å
1203	E	54.4	Low	60.3	Low	137 Å²	137	127.5 Å²	127.5	64%	0.64	61%	0.614	S	S	*	*	H	α-helix	trans	-75.7	-37.8	174.7	-78.6	179.8	174.9	0	0	111.5	R1199 Q1200 E1205 M1206 E1207	R1199-E1203 PolarHBondContact O-N 3.08Å; Q1200-E1203 PolarHBondContact O-N 3.02Å; E1203-E1205 VanDerWaalsContact C-N 3.32Å; E1203-E1205 PolarHBondContact O-N 2.89Å; E1203-M1206 PolarHBondContact O-N 2.8Å; E1203-E1207 PolarHBondContact O-N 3.02Å; E1203-E1207 VanDerWaalsContact O-N 3.12Å
1204	D	53.7	Low	59.3	Low	111 Å²	111	124.8 Å²	124.8	59%	0.594	61%	0.612	S	S	*	*	H	α-helix	trans	-66.2	-31.4	175.8	-74.9	-22.3	0	0	0	112.6	Q1200 M1206 T1208	Q1200-D1204 PolarHBondContact O-N 2.86Å; D1204-M1206 VanDerWaalsContact C-N 3.28Å; D1204-M1206 PolarHBondContact O-N 3.36Å; D1204-T1208 PolarHBondContact O-N 2.98Å; D1204-T1208 PolarHBondContact O-OG1 3.15Å
1205	E	46.3	Very low	58.4	Low	127 Å²	127	123.9 Å²	123.9	59%	0.593	61%	0.613	S	S	*	*	H	α-helix	trans	-72.3	-19.5	171.7	-79	-168.4	169.4	0	0	113.5	S1201 E1203 N1209	S1201-E1205 PolarHBondContact O-N 2.88Å; E1203-E1205 VanDerWaalsContact C-N 3.32Å; E1203-E1205 PolarHBondContact O-N 2.89Å; E1205-N1209 PolarHBondContact O-ND2 3.38Å
1206	M	47.8	Very low	57.3	Low	154 Å²	154	126.4 Å²	126.4	76%	0.759	63%	0.627	S	S	*	*	H	α-helix	trans	-89.2	-22.9	175.4	-83.5	-159.6	66.3	0	0	113.8	N1202 E1203 D1204	N1202-M1206 PolarHBondContact O-N 2.8Å; E1203-M1206 PolarHBondContact O-N 2.8Å; D1204-M1206 VanDerWaalsContact C-N 3.28Å; D1204-M1206 PolarHBondContact O-N 3.36Å
1207	E	48.8	Very low	56	Low	176 Å²	176	125.7 Å²	125.7	82%	0.822	63%	0.63	S	S	*	*	H	α-helix	trans	-86	-11.4	171.8	-77	-166.2	164.1	0	0	113.4	E1203	E1203-E1207 PolarHBondContact O-N 3.02Å; E1203-E1207 VanDerWaalsContact O-N 3.12Å
1208	T	45.7	Very low	54.4	Low	117 Å²	117	127.3 Å²	127.3	72%	0.718	64%	0.636	S	S	*	*			trans	-105.9	-3.1	178.6	50.7	0	0	0	0	115.6	D1204	D1204-T1208 PolarHBondContact O-N 2.98Å; D1204-T1208 PolarHBondContact O-OG1 3.15Å
1209	N	38.4	Very low	53.3	Low	193 Å²	193	131.8 Å²	131.8	100%	1.032	66%	0.657	S	S	*	*			trans	-105.9	0	166.1	-75.7	-57.7	0	0	0	110.8	E1205	E1205-N1209 PolarHBondContact O-ND2 3.38Å

Retrieved 1,209 of 1,209 residues in 1406.2 ms (Link to these results)

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