A0A3B3VFT6_9TELE Loading...

HECT-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession A0A3B3VFT6, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 957 aa.

						>A0A3B3VFT6_9TELE|A0A3B3VFT6
MATASSRAETSHNHRRTSQLHAIVSCAKLKRKKSVFGAAIYVEVTAEGETRRTAKSHSSSNPKWDERLTLTVTPHTQVDFKVWSHHTLKADALLGKATLDLIQALERHDRKLENVKEVLKLSVDQKGVSVPVGELTVYLDGLTVTDQEELAPLTNGNAANGTKVQQNGDAIHENGDSSSSSSRAANSTVNGTDLGQRSGSCSASSGADGPVPSSPALDHTTAVINGDPTPNSTPVHQPPDSGPDTRMVNGESSETVPRQSSASRKETQPSAGENEESSHDAAPPDAETSPASTSRPPPAPTTSSASSPAAKPANGAASSSSVAAAASTTSASATQGAPTITTSSSSSSSPAPGEAGASGAGSNSSSTTTDGVKPRQQVSNAPAGDPLPPGWEQRKDPHGRTYYVDHNTRTTTWERPQPLPPGWERRVDDRGRIYYVDHNTRTTTWQRPTMESVRNFEQWQSQRSQLQGAMHQFNQRYLYSASMMSAENDPLGPLPPGWERRVDSNDRVYFVNHNTKTTQWEDPRTQGLQNEDPLPEGWEIRYTREGVRYFVDHNTRTTTFSDPRTGKSSVTKGPQIAYERSFRWKLAHFRYLCQSNALPSHVKITVSRQTLFEDSFQQIMALKPYDLRRRLYVIFRGEEGLDYGGLAREWFFLLSHEVLNPMYCLFEYAGKSNYCLQINPASAINPDHLSYFCFIGRFIAMALFHGKFIDTGFSLPFYKRMLNKKLILKDLESIDPEFYNSLIWIRDNNIEECGLEMYFSVDMEILGKISSHDLKPDGTNILVTEENKEEYISLMAEWRFSRGVEGQTKAFLDGFNEVVPLQWLQYFDEKELEVMLCGMQEVDLQDWQRNTVYRHYTRNSKQIIWFWQLVKEVDNEVRLRLMQFVTGTCRLPLGGFAELMGSNGPQKFCIEKVGKDTWLPRSHTCFNRLDLPPYKSYEQLKEKLLFAIEETEGFGQE
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.9	Very low	28.7	Very low	244 Å²	244	132.5 Å²	132.5	100%	1.202	80%	0.8	S	S	*	*				0	142.6	0	-63.9	-177.9	-135.4	0	0	107.8
2	A	28.6	Very low	29.1	Very low	94 Å²	94	135.4 Å²	135.4	78%	0.777	80%	0.798	S	S	*	*			trans	53.1	138.7	166.6	0	0	0	0	0	118.5
3	T	31.4	Very low	29.5	Very low	127 Å²	127	137.3 Å²	137.3	78%	0.779	80%	0.802	S	S	*	*			cis	-159.6	132.9	-12	14.3	0	0	0	0	105.2
4	A	27.9	Very low	30.2	Very low	86 Å²	86	140.4 Å²	140.4	71%	0.711	81%	0.805	S	S	*	*				56.6	140	88.2	0	0	0	0	0	114.3
5	S	25.5	Very low	31.7	Very low	111 Å²	111	141.7 Å²	141.7	78%	0.776	79%	0.792	S	S	*	*			cis	-175.9	167	-4.8	-100.2	0	0	0	0	108.8
6	S	29.5	Very low	33.8	Very low	97 Å²	97	144.9 Å²	144.9	68%	0.678	79%	0.788	S	S	*	*			cis	179.7	161.9	-20	56.1	0	0	0	0	109.9
7	R	29	Very low	36.3	Very low	213 Å²	213	141.4 Å²	141.4	80%	0.804	77%	0.772	S	S	*	*			trans	71.3	160.7	166.9	-89	-174.6	156.3	149	-0.6	117	E9	R7-E9 IonicContact CZ-OE2 3.36Å; R7-E9 VanDerWaalsContact CZ-OE2 3.24Å; R7-E9 IonicContact NE-OE2 2.77Å; R7-E9 PolarHBondContact NE-OE2 2.76Å; R7-E9 IonicContact NH2-OE2 3.85Å; R7-E9 PolarHBondContact NH2-OE2 2.69Å
8	A	26.4	Very low	39	Very low	97 Å²	97	135.9 Å²	135.9	80%	0.802	75%	0.745	S	S	*	*			cis	-126.4	167.8	16.9	0	0	0	0	0	116.2
9	E	30	Very low	41.7	Very low	138 Å²	138	135.1 Å²	135.1	65%	0.645	74%	0.736	S	S	*	*			trans	-100.6	149.1	-176.5	-57.5	141.4	94	0	0	111.4	R7	R7-E9 IonicContact CZ-OE2 3.36Å; R7-E9 VanDerWaalsContact CZ-OE2 3.24Å; R7-E9 IonicContact NE-OE2 2.77Å; R7-E9 PolarHBondContact NE-OE2 2.76Å; R7-E9 IonicContact NH2-OE2 3.85Å; R7-E9 PolarHBondContact NH2-OE2 2.69Å
10	T	27.2	Very low	44.2	Very low	143 Å²	143	128.4 Å²	128.4	88%	0.877	70%	0.699	S	S	*	*			trans	-139.2	137.4	153.1	44.7	0	0	0	0	110.2
11	S	28.8	Very low	46.5	Very low	107 Å²	107	124 Å²	124	75%	0.748	67%	0.674	S	S	*	*			trans	-99.5	139.4	-172.5	55.9	0	0	0	0	113
12	H	33.1	Very low	49.4	Very low	168 Å²	168	112.4 Å²	112.4	78%	0.778	62%	0.617	S	S	*	*			trans	-117.8	111.6	167.2	-87.4	-75	0	0	0	111.4
13	N	33.8	Very low	52.6	Low	160 Å²	160	109.5 Å²	109.5	86%	0.856	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-67.6	133.4	166.1	-69.4	-15.3	0	0	0	109.5
14	H	39.6	Very low	55.7	Low	181 Å²	181	103.5 Å²	103.5	84%	0.838	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-93.5	123.4	170.5	-79.2	19	0	0	0	109.9
15	R	53.4	Low	58.8	Low	160 Å²	160	99.9 Å²	99.9	60%	0.604	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-82.5	123.5	171	-158	178.9	-165.3	-161.9	4.8	107.6	T17	R15-T17 PolarHBondContact O-N 3.39Å
16	R	64.3	Low	62.1	Low	193 Å²	193	96 Å²	96	73%	0.728	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-71.2	128	-177.5	-160.1	177.8	-166.4	172.9	2.7	109.7
17	T	76.9	Confident	65.1	Low	85 Å²	85	91.5 Å²	91.5	52%	0.521	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-101.8	151.8	172.9	48.5	0	0	0	0	110.7	R15 T71 V72 T73	R15-T17 PolarHBondContact O-N 3.39Å; T17-T71 HydrophobicContact CG2-CG2 4.1Å; T17-V72 WeakPolarHBondContact CA-O 3.29Å; T17-T73 HydrophobicContact CG2-CG2 4.06Å
18	S	84.9	Confident	68	Low	42 Å²	42	87.1 Å²	87.1	29%	0.294	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	160.7	-179.8	-62.9	0	0	0	0	109.6	V72	S18-V72 PolarHBondContact N-O 2.8Å; S18-V72 PolarHBondContact O-N 2.96Å
19	Q	89.2	Confident	71	Confident	121 Å²	121	83.4 Å²	83.4	57%	0.565	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.4	133.2	171.6	-68.2	-173.6	-3.4	0	0	110.1	T69 L70	Q19-T69 HydrophobicContact CB-CG2 4.34Å; Q19-T69 HydrophobicContact CG-CG2 4.41Å; Q19-L70 WeakPolarHBondContact CA-O 3.43Å
20	L	91.8	Very high	73.3	Confident	1 Å²	1	84.4 Å²	84.4	1%	0.005	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	136.3	168.3	172.2	68.4	0	0	0	108.4	L70 V72 L101 L112 L139 L142	L20-L70 PolarHBondContact N-O 3.42Å; L20-L70 PolarHBondContact O-N 3.17Å; L20-V72 HydrophobicContact CB-CG1 4.14Å; L20-V72 HydrophobicContact CB-CG2 3.6Å; L20-V72 HydrophobicContact CD2-CG1 4.38Å; L20-V72 HydrophobicContact CD2-CG2 4.49Å; L20-L101 HydrophobicContact CD2-CD1 3.73Å; L20-L101 HydrophobicContact CD2-CD2 3.68Å; L20-L101 HydrophobicContact CD2-CG 4.39Å; L20-L112 HydrophobicContact CD1-CD1 4.4Å; L20-L139 HydrophobicContact CD1-CB 4.27Å; L20-L142 HydrophobicContact CD1-CB 3.88Å
21	H	93.3	Very high	75.3	Confident	35 Å²	35	83 Å²	83	16%	0.162	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	112.4	172.9	-54	-81.6	0	0	0	109.6	R67 L68 T69 D140	H21-R67 HydrophobicContact CB-CG 3.97Å; H21-R67 VanDerWaalsContact CB-CZ 3.5Å; H21-R67 PolarHBondContact CD2-NH2 2.84Å; H21-R67 VanDerWaalsContact CG-CZ 3.42Å; H21-R67 PolarHBondContact ND1-NE 3.35Å; H21-R67 PolarHBondContact NE2-NH2 3.46Å; H21-L68 CarbonylContact C-O 3.49Å; H21-L68 WeakPolarHBondContact CA-O 3.04Å; H21-T69 PolarHBondContact CE1-OG1 3.46Å; H21-T69 PolarHBondContact ND1-OG1 2.87Å; H21-D140 HydrophobicContact CB-CB 4.3Å; H21-D140 WeakPolarHBondContact CB-O 3.27Å; H21-D140 PolarHBondContact CD2-O 2.91Å; H21-D140 PolarHBondContact N-O 2.99Å; H21-D140 PolarHBondContact O-N 2.74Å
22	A	93.6	Very high	76.4	Confident	1 Å²	1	87.2 Å²	87.2	1%	0.008	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	106.7	173.4	0	0	0	0	0	109	V24 L68 L70 F80 Y138 L139	A22-V24 PolarHBondContact O-N 3.18Å; A22-L68 PolarHBondContact N-O 3.37Å; A22-L68 PolarHBondContact O-N 2.85Å; A22-L70 HydrophobicContact CB-CD1 4.04Å; A22-F80 HydrophobicContact CB-CE1 4.42Å; A22-F80 HydrophobicContact CB-CZ 4.42Å; A22-Y138 CarbonylContact C-O 3.59Å; A22-Y138 WeakPolarHBondContact CA-O 3.48Å; A22-L139 HydrophobicContact CB-CD2 4.42Å
23	I	95.4	Very high	77.3	Confident	34 Å²	34	88 Å²	88	17%	0.174	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	104.9	174.4	-51.5	174.1	0	0	0	108	S25 E66 R67 V137 Y138	I23-S25 PolarHBondContact O-N 2.78Å; I23-E66 CarbonylContact C-O 3.49Å; I23-E66 VanDerWaalsContact CA-O 3.32Å; I23-E66 WeakPolarHBondContact CA-O 3.47Å; I23-R67 HydrophobicContact CG1-CB 4.17Å; I23-R67 HydrophobicContact CG1-CG 4.11Å; I23-V137 CarbonylContact O-C 3.58Å; I23-V137 VanDerWaalsContact O-CA 3.28Å; I23-V137 WeakPolarHBondContact O-CA 3.25Å; I23-Y138 PolarHBondContact N-O 2.91Å; I23-Y138 PolarHBondContact O-N 3.22Å
24	V	95.4	Very high	77.9	Confident	0 Å²	0	82 Å²	82	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	104.6	179	-176.2	0	0	0	0	108.4	A22 V42 V44 T53 W64 D65 E66 L68 L135	A22-V24 PolarHBondContact O-N 3.18Å; V24-V42 HydrophobicContact CG1-CB 3.94Å; V24-V42 HydrophobicContact CG1-CG1 4.31Å; V24-V42 HydrophobicContact CG1-CG2 3.65Å; V24-V44 HydrophobicContact CG2-CG2 4.14Å; V24-T53 HydrophobicContact CB-CG2 3.83Å; V24-T53 HydrophobicContact CG1-CG2 3.98Å; V24-T53 HydrophobicContact CG2-CG2 4.02Å; V24-W64 HydrophobicContact CG1-CD2 4.41Å; V24-W64 HydrophobicContact CG1-CE3 3.86Å; V24-W64 HydrophobicContact CG1-CZ3 4.31Å; V24-D65 WeakPolarHBondContact O-CA 3.44Å; V24-D65 PolarHBondContact O-N 2.84Å; V24-E66 PolarHBondContact N-O 3.16Å; V24-E66 PolarHBondContact O-N 2.98Å; V24-E66 VanDerWaalsContact O-N 3.09Å; V24-L68 HydrophobicContact CG2-CD1 3.98Å; V24-L68 HydrophobicContact CG2-CG 4.49Å; V24-L135 HydrophobicContact CG1-CD1 4.12Å
25	S	93.9	Very high	78.1	Confident	11 Å²	11	79.5 Å²	79.5	8%	0.077	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-68.2	-173.9	175	0	0	0	0	112.2	I23 K63 W64 D65 T136	I23-S25 PolarHBondContact O-N 2.78Å; S25-K63 WeakPolarHBondContact O-CA 3.44Å; S25-W64 PolarHBondContact O-N 3.34Å; S25-D65 VanDerWaalsContact CA-OD1 3.23Å; S25-D65 WeakPolarHBondContact CA-OD1 3.25Å; S25-D65 WeakPolarHBondContact CB-OD1 3.48Å; S25-D65 PolarHBondContact O-N 3.36Å; S25-D65 PolarHBondContact OG-OD1 3.12Å; S25-T136 PolarHBondContact N-O 3.17Å
26	C	93.7	Very high	77.8	Confident	28 Å²	28	76.5 Å²	76.5	19%	0.189	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	158.3	-172.1	58.3	0	0	0	0	112.7	P62 K63 T136	C26-P62 VanDerWaalsContact CA-O 3.25Å; C26-P62 WeakPolarHBondContact CA-O 3.32Å; C26-P62 WeakPolarHBondContact CB-O 3.34Å; C26-K63 HydrophobicContact CB-CB 4.45Å; C26-K63 HydrophobicContact CB-CG 3.88Å; C26-T136 PolarHBondContact N-O 2.71Å; C26-T136 PolarHBondContact O-N 2.77Å
27	A	92.5	Very high	77.3	Confident	3 Å²	3	70.9 Å²	70.9	3%	0.025	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	158.2	172.5	0	0	0	0	0	111.9	L29 N61 P62 W64 E134 L135	A27-L29 HydrophobicContact CB-CD2 4.27Å; A27-L29 HydrophobicContact CB-CG 4.46Å; A27-N61 WeakPolarHBondContact O-CA 3.32Å; A27-P62 HydrophobicContact CB-CG 3.95Å; A27-P62 PolarHBondContact N-O 3.01Å; A27-P62 WeakPolarHBondContact O-CD 3.43Å; A27-W64 HydrophobicContact CB-CH2 4.12Å; A27-W64 HydrophobicContact CB-CZ3 4.03Å; A27-E134 CarbonylContact C-O 3.54Å; A27-E134 WeakPolarHBondContact CA-O 3.41Å; A27-E134 WeakPolarHBondContact CB-O 3.35Å; A27-L135 HydrophobicContact CB-CD1 3.86Å
28	K	90.9	Very high	76.7	Confident	122 Å²	122	67.3 Å²	67.3	53%	0.53	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	111.7	170.1	-63.7	177.6	-174.5	168.4	0	108.3	G133 E134	K28-G133 CarbonylContact O-C 3.53Å; K28-G133 WeakPolarHBondContact O-CA 3.5Å; K28-E134 PolarHBondContact N-O 3.07Å; K28-E134 PolarHBondContact O-N 3.27Å
29	L	88.7	Confident	76.7	Confident	18 Å²	18	65.6 Å²	65.6	9%	0.094	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	130.2	-172.9	-56.8	179.7	0	0	0	111.3	A27 R31 I40 S60 V82 L94 L121	A27-L29 HydrophobicContact CB-CD2 4.27Å; A27-L29 HydrophobicContact CB-CG 4.46Å; L29-R31 PolarHBondContact O-N 3.04Å; L29-I40 HydrophobicContact CD1-CD1 3.7Å; L29-S60 PolarHBondContact N-O 2.85Å; L29-V82 HydrophobicContact CD1-CG1 4.32Å; L29-L94 HydrophobicContact CD1-CD1 3.78Å; L29-L121 HydrophobicContact CD2-CD1 3.61Å
30	K	79.9	Confident	76.8	Confident	159 Å²	159	59.9 Å²	59.9	69%	0.691	30%	0.304	S	S	*	.			trans	-80.1	57.3	-178.6	-62.7	-179.6	-179.2	175.5	0	111.6	V132	K30-V132 WeakPolarHBondContact CB-O 3.41Å; K30-V132 PolarHBondContact N-O 2.88Å
31	R	67.8	Low	76.9	Confident	114 Å²	114	60.6 Å²	60.6	43%	0.43	31%	0.307	S	S	.	.			trans	-117.5	143.9	-177.6	-148.7	-175.4	-170.5	177	4	111.2	L29	L29-R31 PolarHBondContact O-N 3.04Å
32	K	53.2	Low	77	Confident	195 Å²	195	58.9 Å²	58.9	85%	0.848	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-62.4	148.1	157.5	-75.2	-175.4	176.7	-179.1	0	108.7	S34	K32-S34 PolarHBondContact O-N 2.82Å; K32-S34 VanDerWaalsContact O-N 3.17Å
33	K	51.7	Low	77.2	Confident	185 Å²	185	59.6 Å²	59.6	80%	0.804	30%	0.302	S	S	*	.	P	Polyproline II helix	trans	-54.3	119.2	-179.4	-148.5	-179	-173.8	-171.7	0	109.4
34	S	46.5	Very low	77.2	Confident	34 Å²	34	58 Å²	58	24%	0.238	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-70.8	136.3	172.3	-177.4	0	0	0	0	109	K32 F36	K32-S34 PolarHBondContact O-N 2.82Å; K32-S34 VanDerWaalsContact O-N 3.17Å; S34-F36 PolarHBondContact OG-O 3.46Å
35	V	43.7	Very low	77.1	Confident	129 Å²	129	59.2 Å²	59.2	78%	0.782	30%	0.301	S	S	*	.	S	Bend	trans	-76.7	-33.6	-179.9	-171.7	0	0	0	0	110.8
36	F	47.4	Very low	77	Confident	97 Å²	97	58.7 Å²	58.7	43%	0.425	30%	0.298	S	S	.	.	S	Bend	trans	-77.1	138.8	171.6	-58.8	-88	0	0	0	111.3	S34 A38 W744	S34-F36 PolarHBondContact OG-O 3.46Å; F36-A38 PolarHBondContact O-N 3.26Å; F36-W744 HydrophobicContact CD1-CZ2 4.33Å; F36-W744 AromaticContact CE1-CE2 3.91Å; F36-W744 AromaticContact CE1-CH2 3.72Å; F36-W744 HydrophobicContact CE1-CH2 3.72Å; F36-W744 AromaticContact CE1-CZ2 3.35Å; F36-W744 HydrophobicContact CE1-CZ2 3.35Å; F36-W744 HydrophobicContact CZ-CH2 4.1Å; F36-W744 AromaticContact CZ-CZ2 3.75Å; F36-W744 HydrophobicContact CZ-CZ2 3.75Å
37	G	53.4	Low	76.6	Confident	75 Å²	75	62.6 Å²	62.6	77%	0.773	31%	0.313	S	S	*	.			trans	-72	46	179.8	0	0	0	0	0	115.4	A39	G37-A39 PolarHBondContact O-N 3.21Å
38	A	64.1	Low	75.8	Confident	9 Å²	9	65.7 Å²	65.7	7%	0.074	35%	0.346	C	S	.	.			trans	-63.4	117.7	178.7	0	0	0	0	0	111	F36 S84	F36-A38 PolarHBondContact O-N 3.26Å; A38-S84 WeakPolarHBondContact CB-OG 3.38Å
39	A	84.3	Confident	75.4	Confident	6 Å²	6	62.8 Å²	62.8	5%	0.05	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	137.6	-179.8	0	0	0	0	0	110.4	G37 K55 H85	G37-A39 PolarHBondContact O-N 3.21Å; A39-K55 HydrophobicContact CB-CB 3.83Å; A39-H85 WeakPolarHBondContact O-CA 3.25Å; A39-H85 WeakPolarHBondContact O-CB 3.08Å; A39-H85 PolarHBondContact O-N 3.19Å
40	I	90.6	Very high	75.5	Confident	2 Å²	2	64.8 Å²	64.8	1%	0.01	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	133.2	-171.8	-52.3	-175.6	0	0	0	110.2	L29 S56 P62 W64 V82 W83 L94	L29-I40 HydrophobicContact CD1-CD1 3.7Å; I40-S56 PolarHBondContact N-O 3.21Å; I40-S56 WeakPolarHBondContact O-CB 3.35Å; I40-S56 PolarHBondContact O-N 2.89Å; I40-P62 HydrophobicContact CB-CB 4.22Å; I40-P62 HydrophobicContact CB-CG 4.39Å; I40-P62 HydrophobicContact CD1-CG 4.24Å; I40-P62 HydrophobicContact CG2-CG 4.24Å; I40-W64 HydrophobicContact CB-CZ2 4.3Å; I40-W64 HydrophobicContact CG2-CH2 4.31Å; I40-W64 HydrophobicContact CG2-CZ2 3.91Å; I40-W64 WeakPolarHBondContact O-CZ2 3.39Å; I40-W64 PolarHBondContact O-NE1 3.22Å; I40-W64 VanDerWaalsContact O-NE1 3.07Å; I40-V82 HydrophobicContact CG2-CG1 3.38Å; I40-W83 VanDerWaalsContact CA-O 3.29Å; I40-W83 WeakPolarHBondContact CA-O 3.41Å; I40-W83 WeakPolarHBondContact CG2-O 3.36Å; I40-L94 HydrophobicContact CD1-CD1 3.67Å; I40-L94 HydrophobicContact CG1-CD1 4.05Å; I40-L94 HydrophobicContact CG2-CD1 4.1Å
41	Y	94.7	Very high	76.1	Confident	15 Å²	15	62.1 Å²	62.1	6%	0.059	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	162.6	169.7	67.2	-86.7	0	0	0	110.8	E43 R52 T53 K55 W83 H85 D91	Y41-E43 HydrophobicContact CE2-CB 4.26Å; Y41-R52 HydrophobicContact CD2-CB 4.19Å; Y41-R52 HydrophobicContact CD2-CG 4.11Å; Y41-R52 HydrophobicContact CE2-CG 3.98Å; Y41-T53 WeakPolarHBondContact CA-OG1 3.36Å; Y41-K55 HydrophobicContact CD1-CG 4.35Å; Y41-W83 HydrophobicContact CD1-CB 4.06Å; Y41-W83 HydrophobicContact CD2-CB 4.24Å; Y41-W83 HydrophobicContact CE1-CB 3.56Å; Y41-W83 HydrophobicContact CE1-CG 4.41Å; Y41-W83 HydrophobicContact CE2-CB 3.76Å; Y41-W83 AromaticContact CE2-CD1 3.64Å; Y41-W83 AromaticContact CE2-CG 3.9Å; Y41-W83 HydrophobicContact CE2-CG 3.9Å; Y41-W83 HydrophobicContact CG-CB 4.37Å; Y41-W83 AromaticContact CZ-CD1 3.97Å; Y41-W83 AromaticContact CZ-CG 3.76Å; Y41-W83 PolarHBondContact N-O 3.48Å; Y41-W83 VanDerWaalsContact N-O 3.13Å; Y41-W83 PolarHBondContact O-N 2.6Å; Y41-H85 HydrophobicContact CD1-CB 4.21Å; Y41-H85 HydrophobicContact CE1-CB 4.14Å; Y41-D91 WeakPolarHBondContact CE1-OD2 3.5Å; Y41-D91 PolarHBondContact OH-OD2 2.93Å; Y41-D91 VanDerWaalsContact OH-OD2 3.14Å
42	V	95.9	Very high	77.5	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	128.5	170.2	-169.8	0	0	0	0	108.7	V24 V44 R52 T53 W64 F80 K81 V82 L135	V24-V42 HydrophobicContact CG1-CB 3.94Å; V24-V42 HydrophobicContact CG1-CG1 4.31Å; V24-V42 HydrophobicContact CG1-CG2 3.65Å; V42-V44 HydrophobicContact CG1-CG2 4Å; V42-R52 CarbonylContact O-C 3.49Å; V42-R52 VanDerWaalsContact O-CA 3.3Å; V42-R52 WeakPolarHBondContact O-CA 3.32Å; V42-T53 HydrophobicContact CB-CG2 4.04Å; V42-T53 PolarHBondContact N-OG1 2.76Å; V42-T53 PolarHBondContact O-N 2.72Å; V42-W64 HydrophobicContact CG2-CD2 4.26Å; V42-W64 HydrophobicContact CG2-CE3 4.04Å; V42-W64 HydrophobicContact CG2-CH2 3.35Å; V42-W64 HydrophobicContact CG2-CZ2 3.62Å; V42-W64 HydrophobicContact CG2-CZ3 3.59Å; V42-F80 HydrophobicContact CG1-CD1 4.36Å; V42-K81 CarbonylContact C-O 3.47Å; V42-K81 WeakPolarHBondContact CA-O 3.49Å; V42-V82 HydrophobicContact CG2-CG2 4.2Å; V42-L135 HydrophobicContact CG1-CD2 3.97Å; V42-L135 HydrophobicContact CG2-CD1 4.02Å
43	E	96.8	Very high	79.4	Confident	16 Å²	16	53.7 Å²	53.7	8%	0.075	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	132.8	168.1	-179.9	176.3	77	0	0	108.5	Y41 T50 R51 R52 F80 K81 W83	Y41-E43 HydrophobicContact CE2-CB 4.26Å; E43-T50 HydrophobicContact CG-CG2 3.42Å; E43-T50 VanDerWaalsContact CG-CG2 3.42Å; E43-R51 CarbonylContact C-O 3.58Å; E43-R51 WeakPolarHBondContact CA-O 3.43Å; E43-R52 HydrophobicContact CB-CG 4.05Å; E43-R52 HydrophobicContact CG-CG 4.07Å; E43-R52 IonicContact OE2-CZ 2.88Å; E43-R52 VanDerWaalsContact OE2-CZ 3.23Å; E43-R52 IonicContact OE2-NE 2.94Å; E43-R52 PolarHBondContact OE2-NE 3.27Å; E43-R52 IonicContact OE2-NH2 3.26Å; E43-R52 PolarHBondContact OE2-NH2 3.45Å; E43-F80 CarbonylContact O-C 3.59Å; E43-F80 WeakPolarHBondContact O-CA 3.24Å; E43-K81 HydrophobicContact CB-CB 4.29Å; E43-K81 PolarHBondContact N-O 3.3Å; E43-K81 PolarHBondContact O-N 2.9Å; E43-K81 WeakPolarHBondContact OE1-CD 3.43Å; E43-W83 PolarHBondContact OE1-NE1 2.66Å
44	V	95.9	Very high	81.2	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	121.3	-177	-171.3	0	0	0	0	108.7	V24 V42 T50 R51 L68 L70 V78 D79 F80	V24-V44 HydrophobicContact CG2-CG2 4.14Å; V42-V44 HydrophobicContact CG1-CG2 4Å; V44-T50 CarbonylContact O-C 3.6Å; V44-T50 WeakPolarHBondContact O-CA 3.34Å; V44-R51 PolarHBondContact N-O 2.81Å; V44-R51 PolarHBondContact O-N 3.5Å; V44-L68 HydrophobicContact CB-CD1 4.17Å; V44-L68 HydrophobicContact CG2-CD1 3.67Å; V44-L70 HydrophobicContact CG1-CD1 3.85Å; V44-L70 HydrophobicContact CG1-CD2 4.22Å; V44-V78 HydrophobicContact CG1-CG1 3.51Å; V44-D79 CarbonylContact C-O 3.52Å; V44-D79 VanDerWaalsContact CA-O 3.28Å; V44-D79 WeakPolarHBondContact CA-O 3.42Å; V44-F80 HydrophobicContact CB-CD1 4.33Å; V44-F80 HydrophobicContact CB-CE1 4.38Å; V44-F80 HydrophobicContact CG1-CD1 3.91Å; V44-F80 HydrophobicContact CG1-CE1 3.63Å; V44-F80 HydrophobicContact CG1-CG 4.45Å; V44-F80 HydrophobicContact CG1-CZ 3.98Å; V44-F80 HydrophobicContact CG2-CD1 3.56Å; V44-F80 HydrophobicContact CG2-CE1 3.76Å; V44-F80 HydrophobicContact CG2-CG 4.49Å
45	T	94.1	Very high	83.3	Confident	25 Å²	25	51.1 Å²	51.1	15%	0.153	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	131.1	-175	-58.8	0	0	0	0	110.4	E49 T50 V78 D79	T45-E49 CarbonylContact C-O 3.35Å; T45-E49 VanDerWaalsContact CA-O 3.25Å; T45-E49 WeakPolarHBondContact CA-O 3.46Å; T45-E49 WeakPolarHBondContact CG2-O 3.31Å; T45-T50 WeakPolarHBondContact CG2-OG1 3.37Å; T45-T50 PolarHBondContact OG1-OG1 3.32Å; T45-V78 CarbonylContact O-C 3.6Å; T45-V78 WeakPolarHBondContact O-CA 3.29Å; T45-D79 PolarHBondContact N-O 3.23Å; T45-D79 PolarHBondContact O-N 2.92Å
46	A	91.3	Very high	85.3	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.008	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	133.8	179.1	0	0	0	0	0	110.2	G48 E49 L70 V72 T76 V78	A46-G48 PolarHBondContact O-N 3.07Å; A46-E49 PolarHBondContact N-O 3.12Å; A46-E49 WeakPolarHBondContact O-CB 3.43Å; A46-E49 PolarHBondContact O-N 3.49Å; A46-L70 HydrophobicContact CB-CB 4.41Å; A46-L70 HydrophobicContact CB-CD1 4.28Å; A46-V72 HydrophobicContact CB-CG1 4.07Å; A46-T76 HydrophobicContact CB-CG2 3.95Å; A46-V78 HydrophobicContact CB-CG1 4.39Å; A46-V78 HydrophobicContact CB-CG2 4.05Å
47	E	86.1	Confident	86.8	Confident	109 Å²	109	48.7 Å²	48.7	51%	0.509	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.7	25.1	-174.2	-64.1	-58.4	140.1	0	0	115	E49 T76	E47-E49 VanDerWaalsContact C-N 3.3Å; E47-E49 PolarHBondContact O-N 2.85Å; E47-T76 HydrophobicContact CG-CG2 3.8Å; E47-T76 WeakPolarHBondContact CG-OG1 3.39Å; E47-T76 VanDerWaalsContact OE1-CB 3.29Å; E47-T76 WeakPolarHBondContact OE1-CB 3.49Å; E47-T76 WeakPolarHBondContact OE1-CG2 3.24Å; E47-T76 PolarHBondContact OE1-OG1 3.21Å
48	G	75.9	Confident	87.8	Confident	68 Å²	68	47.4 Å²	47.4	70%	0.701	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.4	-14.2	-174.7	0	0	0	0	0	115.4	A46	A46-G48 PolarHBondContact O-N 3.07Å
49	E	82.3	Confident	88	Confident	62 Å²	62	48.1 Å²	48.1	29%	0.29	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	146	163.1	-69.9	-165.7	-170.9	0	0	109.8	T45 A46 E47 R51 T71	T45-E49 CarbonylContact C-O 3.35Å; T45-E49 VanDerWaalsContact CA-O 3.25Å; T45-E49 WeakPolarHBondContact CA-O 3.46Å; T45-E49 WeakPolarHBondContact CG2-O 3.31Å; A46-E49 PolarHBondContact N-O 3.12Å; A46-E49 WeakPolarHBondContact O-CB 3.43Å; A46-E49 PolarHBondContact O-N 3.49Å; E47-E49 VanDerWaalsContact C-N 3.3Å; E47-E49 PolarHBondContact O-N 2.85Å; E49-R51 IonicContact OE2-CZ 3.92Å; E49-R51 IonicContact OE2-NE 3.02Å; E49-R51 IonicContact OE2-NH2 3.04Å; E49-R51 PolarHBondContact OE2-NH2 2.8Å; E49-T71 WeakPolarHBondContact OE1-CB 3.22Å; E49-T71 PolarHBondContact OE1-OG1 2.82Å
50	T	90.9	Very high	87.6	Confident	59 Å²	59	49.7 Å²	49.7	36%	0.362	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	133.5	173.2	-65.5	0	0	0	0	110.5	E43 V44 T45	E43-T50 HydrophobicContact CG-CG2 3.42Å; E43-T50 VanDerWaalsContact CG-CG2 3.42Å; V44-T50 CarbonylContact O-C 3.6Å; V44-T50 WeakPolarHBondContact O-CA 3.34Å; T45-T50 WeakPolarHBondContact CG2-OG1 3.37Å; T45-T50 PolarHBondContact OG1-OG1 3.32Å
51	R	92.5	Very high	87.3	Confident	103 Å²	103	53.8 Å²	53.8	39%	0.389	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	157.8	174.3	-55.9	-61.6	175.3	-163.2	-9.6	109.1	E43 V44 E49 L68 T69 L70	E43-R51 CarbonylContact C-O 3.58Å; E43-R51 WeakPolarHBondContact CA-O 3.43Å; V44-R51 PolarHBondContact N-O 2.81Å; V44-R51 PolarHBondContact O-N 3.5Å; E49-R51 IonicContact OE2-CZ 3.92Å; E49-R51 IonicContact OE2-NE 3.02Å; E49-R51 IonicContact OE2-NH2 3.04Å; E49-R51 PolarHBondContact OE2-NH2 2.8Å; R51-L68 HydrophobicContact CB-CB 4.3Å; R51-L68 HydrophobicContact CB-CD1 4.08Å; R51-L68 HydrophobicContact CB-CD2 4.33Å; R51-L68 HydrophobicContact CB-CG 4.48Å; R51-T69 PolarHBondContact NE-O 2.88Å; R51-L70 HydrophobicContact CB-CD2 4.37Å; R51-L70 HydrophobicContact CG-CD2 3.76Å
52	R	95.3	Very high	87	Confident	123 Å²	123	53.1 Å²	53.1	46%	0.464	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	143.3	176.2	-68.7	176.6	179.3	145.2	-0.4	109.6	Y41 V42 E43 D370	Y41-R52 HydrophobicContact CD2-CB 4.19Å; Y41-R52 HydrophobicContact CD2-CG 4.11Å; Y41-R52 HydrophobicContact CE2-CG 3.98Å; V42-R52 CarbonylContact O-C 3.49Å; V42-R52 VanDerWaalsContact O-CA 3.3Å; V42-R52 WeakPolarHBondContact O-CA 3.32Å; E43-R52 HydrophobicContact CB-CG 4.05Å; E43-R52 HydrophobicContact CG-CG 4.07Å; E43-R52 IonicContact OE2-CZ 2.88Å; E43-R52 VanDerWaalsContact OE2-CZ 3.23Å; E43-R52 IonicContact OE2-NE 2.94Å; E43-R52 PolarHBondContact OE2-NE 3.27Å; E43-R52 IonicContact OE2-NH2 3.26Å; E43-R52 PolarHBondContact OE2-NH2 3.45Å; R52-D370 IonicContact NH1-OD2 3.7Å
53	T	94.4	Very high	86.7	Confident	10 Å²	10	59.6 Å²	59.6	6%	0.061	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-73.1	167.8	168.8	65.3	0	0	0	0	111.3	V24 Y41 V42 W64 E66 L68	V24-T53 HydrophobicContact CB-CG2 3.83Å; V24-T53 HydrophobicContact CG1-CG2 3.98Å; V24-T53 HydrophobicContact CG2-CG2 4.02Å; Y41-T53 WeakPolarHBondContact CA-OG1 3.36Å; V42-T53 HydrophobicContact CB-CG2 4.04Å; V42-T53 PolarHBondContact N-OG1 2.76Å; V42-T53 PolarHBondContact O-N 2.72Å; T53-W64 HydrophobicContact CG2-CB 4.39Å; T53-W64 HydrophobicContact CG2-CG 4.23Å; T53-W64 VanDerWaalsContact OG1-CD1 3.31Å; T53-W64 PolarHBondContact OG1-NE1 3.11Å; T53-E66 WeakPolarHBondContact CA-OE1 3.5Å; T53-E66 WeakPolarHBondContact CA-OE2 3.28Å; T53-E66 VanDerWaalsContact CB-OE2 3.25Å; T53-E66 WeakPolarHBondContact CB-OE2 3.42Å; T53-L68 HydrophobicContact CG2-CD1 4.02Å
54	A	89.8	Confident	86.5	Confident	59 Å²	59	60.3 Å²	60.3	49%	0.488	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-54.5	163.8	157.7	0	0	0	0	0	112.3	W64 E66	A54-W64 PolarHBondContact O-NE1 3.02Å; A54-E66 WeakPolarHBondContact CB-OE2 3.2Å; A54-E66 PolarHBondContact N-OE1 2.81Å; A54-E66 PolarHBondContact N-OE2 2.86Å
55	K	90.3	Very high	86.3	Confident	106 Å²	106	64.8 Å²	64.8	46%	0.461	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-89.5	131.4	179.5	-61.7	176.4	-178.5	173.7	0	110	A39 Y41 H85	A39-K55 HydrophobicContact CB-CB 3.83Å; Y41-K55 HydrophobicContact CD1-CG 4.35Å; K55-H85 HydrophobicContact CD-CB 4.26Å; K55-H85 PolarHBondContact NZ-CD2 2.84Å; K55-H85 PolarHBondContact NZ-CE1 2.97Å; K55-H85 VanDerWaalsContact NZ-CE1 3.3Å; K55-H85 PolarHBondContact NZ-NE2 3.06Å
56	S	85.1	Confident	86.2	Confident	18 Å²	18	66.3 Å²	66.3	13%	0.126	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-119.2	122.5	-173.7	-170.2	0	0	0	0	111.1	I40 S58 K63	I40-S56 PolarHBondContact N-O 3.21Å; I40-S56 WeakPolarHBondContact O-CB 3.35Å; I40-S56 PolarHBondContact O-N 2.89Å; S56-S58 VanDerWaalsContact C-N 3.28Å; S56-S58 PolarHBondContact O-N 3.32Å; S56-K63 VanDerWaalsContact CB-O 3.3Å; S56-K63 WeakPolarHBondContact CB-O 3.34Å; S56-K63 PolarHBondContact OG-N 2.92Å; S56-K63 PolarHBondContact OG-O 3.05Å
57	H	78.3	Confident	86.3	Confident	156 Å²	156	72 Å²	72	72%	0.722	37%	0.369	S	S	*	.			trans	-82.8	8	-166.7	-60.8	-93	0	0	0	115.2
58	S	74.6	Confident	86.7	Confident	48 Å²	48	67.4 Å²	67.4	34%	0.336	35%	0.348	S	S	.	.			trans	-91.7	107.3	178.1	173.3	0	0	0	0	111.1	S56 S60 N61 P62	S56-S58 VanDerWaalsContact C-N 3.28Å; S56-S58 PolarHBondContact O-N 3.32Å; S58-S60 VanDerWaalsContact C-N 3.26Å; S58-S60 PolarHBondContact O-N 2.91Å; S58-N61 WeakPolarHBondContact CB-O 3.27Å; S58-N61 PolarHBondContact OG-N 3.01Å; S58-N61 PolarHBondContact OG-O 2.79Å; S58-P62 WeakPolarHBondContact O-CD 3.44Å
59	S	69.6	Low	87.5	Confident	24 Å²	24	66.8 Å²	66.8	17%	0.168	33%	0.331	C	S	.	.	S	Bend	trans	-74.6	-3.5	-168.6	59.6	0	0	0	0	116.6
60	S	75.6	Confident	88	Confident	39 Å²	39	63.9 Å²	63.9	27%	0.273	32%	0.317	S	S	.	.	S	Bend	trans	-133	-27.3	177.3	64.6	0	0	0	0	114.6	L29 S58	L29-S60 PolarHBondContact N-O 2.85Å; S58-S60 VanDerWaalsContact C-N 3.26Å; S58-S60 PolarHBondContact O-N 2.91Å
61	N	84.9	Confident	87.9	Confident	89 Å²	89	63.1 Å²	63.1	48%	0.476	31%	0.313	S	S	.	.	S	Bend	trans	-135.1	65.5	178.5	-66.5	-97.6	0	0	0	109.7	A27 S58	A27-N61 WeakPolarHBondContact O-CA 3.32Å; S58-N61 WeakPolarHBondContact CB-O 3.27Å; S58-N61 PolarHBondContact OG-N 3.01Å; S58-N61 PolarHBondContact OG-O 2.79Å
62	P	87.6	Confident	87.8	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.294	C	S	.	.			trans	-67.6	147.8	177	30.8	-36.7	0	0	0	111.5	C26 A27 I40 S58 W64	C26-P62 VanDerWaalsContact CA-O 3.25Å; C26-P62 WeakPolarHBondContact CA-O 3.32Å; C26-P62 WeakPolarHBondContact CB-O 3.34Å; A27-P62 HydrophobicContact CB-CG 3.95Å; A27-P62 PolarHBondContact N-O 3.01Å; A27-P62 WeakPolarHBondContact O-CD 3.43Å; I40-P62 HydrophobicContact CB-CB 4.22Å; I40-P62 HydrophobicContact CB-CG 4.39Å; I40-P62 HydrophobicContact CD1-CG 4.24Å; I40-P62 HydrophobicContact CG2-CG 4.24Å; S58-P62 WeakPolarHBondContact O-CD 3.44Å; P62-W64 HydrophobicContact CB-CH2 3.59Å; P62-W64 HydrophobicContact CB-CZ2 3.62Å; P62-W64 HydrophobicContact CB-CZ3 4.16Å; P62-W64 HydrophobicContact CG-CH2 3.38Å; P62-W64 HydrophobicContact CG-CZ2 3.88Å; P62-W64 HydrophobicContact CG-CZ3 4.01Å
63	K	89.6	Confident	87.4	Confident	136 Å²	136	52.6 Å²	52.6	59%	0.591	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.7	149.4	174.1	-62.7	-162.9	170.5	-166.9	0	109.8	S25 C26 S56	S25-K63 WeakPolarHBondContact O-CA 3.44Å; C26-K63 HydrophobicContact CB-CB 4.45Å; C26-K63 HydrophobicContact CB-CG 3.88Å; S56-K63 VanDerWaalsContact CB-O 3.3Å; S56-K63 WeakPolarHBondContact CB-O 3.34Å; S56-K63 PolarHBondContact OG-N 2.92Å; S56-K63 PolarHBondContact OG-O 3.05Å
64	W	93.2	Very high	87	Confident	32 Å²	32	52.7 Å²	52.7	12%	0.121	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	-46.7	177.9	-55.6	-88.2	0	0	0	110.6	V24 S25 A27 I40 V42 T53 A54 P62 E66 L135	V24-W64 HydrophobicContact CG1-CD2 4.41Å; V24-W64 HydrophobicContact CG1-CE3 3.86Å; V24-W64 HydrophobicContact CG1-CZ3 4.31Å; S25-W64 PolarHBondContact O-N 3.34Å; A27-W64 HydrophobicContact CB-CH2 4.12Å; A27-W64 HydrophobicContact CB-CZ3 4.03Å; I40-W64 HydrophobicContact CB-CZ2 4.3Å; I40-W64 HydrophobicContact CG2-CH2 4.31Å; I40-W64 HydrophobicContact CG2-CZ2 3.91Å; I40-W64 WeakPolarHBondContact O-CZ2 3.39Å; I40-W64 PolarHBondContact O-NE1 3.22Å; I40-W64 VanDerWaalsContact O-NE1 3.07Å; V42-W64 HydrophobicContact CG2-CD2 4.26Å; V42-W64 HydrophobicContact CG2-CE3 4.04Å; V42-W64 HydrophobicContact CG2-CH2 3.35Å; V42-W64 HydrophobicContact CG2-CZ2 3.62Å; V42-W64 HydrophobicContact CG2-CZ3 3.59Å; T53-W64 HydrophobicContact CG2-CB 4.39Å; T53-W64 HydrophobicContact CG2-CG 4.23Å; T53-W64 VanDerWaalsContact OG1-CD1 3.31Å; T53-W64 PolarHBondContact OG1-NE1 3.11Å; A54-W64 PolarHBondContact O-NE1 3.02Å; P62-W64 HydrophobicContact CB-CH2 3.59Å; P62-W64 HydrophobicContact CB-CZ2 3.62Å; P62-W64 HydrophobicContact CB-CZ3 4.16Å; P62-W64 HydrophobicContact CG-CH2 3.38Å; P62-W64 HydrophobicContact CG-CZ2 3.88Å; P62-W64 HydrophobicContact CG-CZ3 4.01Å; W64-E66 HydrophobicContact CB-CB 4.04Å; W64-E66 PolarHBondContact O-N 3.1Å; W64-L135 HydrophobicContact CZ3-CD1 4.03Å
65	D	91.2	Very high	86.7	Confident	93 Å²	93	55.2 Å²	55.2	50%	0.497	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	51.7	40.5	-175.9	-61.6	-54.4	0	0	0	112	V24 S25	V24-D65 WeakPolarHBondContact O-CA 3.44Å; V24-D65 PolarHBondContact O-N 2.84Å; S25-D65 VanDerWaalsContact CA-OD1 3.23Å; S25-D65 WeakPolarHBondContact CA-OD1 3.25Å; S25-D65 WeakPolarHBondContact CB-OD1 3.48Å; S25-D65 PolarHBondContact O-N 3.36Å; S25-D65 PolarHBondContact OG-OD1 3.12Å
66	E	92.5	Very high	86.8	Confident	57 Å²	57	50.2 Å²	50.2	27%	0.266	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	131	-164.6	-173.8	179.3	160.8	0	0	112.4	I23 V24 T53 A54 W64 L68	I23-E66 CarbonylContact C-O 3.49Å; I23-E66 VanDerWaalsContact CA-O 3.32Å; I23-E66 WeakPolarHBondContact CA-O 3.47Å; V24-E66 PolarHBondContact N-O 3.16Å; V24-E66 PolarHBondContact O-N 2.98Å; V24-E66 VanDerWaalsContact O-N 3.09Å; T53-E66 WeakPolarHBondContact CA-OE1 3.5Å; T53-E66 WeakPolarHBondContact CA-OE2 3.28Å; T53-E66 VanDerWaalsContact CB-OE2 3.25Å; T53-E66 WeakPolarHBondContact CB-OE2 3.42Å; A54-E66 WeakPolarHBondContact CB-OE2 3.2Å; A54-E66 PolarHBondContact N-OE1 2.81Å; A54-E66 PolarHBondContact N-OE2 2.86Å; W64-E66 HydrophobicContact CB-CB 4.04Å; W64-E66 PolarHBondContact O-N 3.1Å; E66-L68 HydrophobicContact CG-CD2 4.47Å
67	R	93.4	Very high	87.2	Confident	120 Å²	120	55 Å²	55	45%	0.453	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	106.8	-176.1	-174.4	-178.2	-177.2	100.7	-8.8	111.6	H21 I23 D140	H21-R67 HydrophobicContact CB-CG 3.97Å; H21-R67 VanDerWaalsContact CB-CZ 3.5Å; H21-R67 PolarHBondContact CD2-NH2 2.84Å; H21-R67 VanDerWaalsContact CG-CZ 3.42Å; H21-R67 PolarHBondContact ND1-NE 3.35Å; H21-R67 PolarHBondContact NE2-NH2 3.46Å; I23-R67 HydrophobicContact CG1-CB 4.17Å; I23-R67 HydrophobicContact CG1-CG 4.11Å; R67-D140 IonicContact CZ-OD2 2.91Å; R67-D140 IonicContact NH1-OD2 2.77Å; R67-D140 PolarHBondContact NH1-OD2 2.89Å; R67-D140 IonicContact NH2-OD2 2.72Å; R67-D140 PolarHBondContact NH2-OD2 3.49Å
68	L	93.3	Very high	87.9	Confident	14 Å²	14	47.7 Å²	47.7	7%	0.073	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	125.6	173.5	-56.9	-179.7	0	0	0	110.4	H21 A22 V24 V44 R51 T53 E66	H21-L68 CarbonylContact C-O 3.49Å; H21-L68 WeakPolarHBondContact CA-O 3.04Å; A22-L68 PolarHBondContact N-O 3.37Å; A22-L68 PolarHBondContact O-N 2.85Å; V24-L68 HydrophobicContact CG2-CD1 3.98Å; V24-L68 HydrophobicContact CG2-CG 4.49Å; V44-L68 HydrophobicContact CB-CD1 4.17Å; V44-L68 HydrophobicContact CG2-CD1 3.67Å; R51-L68 HydrophobicContact CB-CB 4.3Å; R51-L68 HydrophobicContact CB-CD1 4.08Å; R51-L68 HydrophobicContact CB-CD2 4.33Å; R51-L68 HydrophobicContact CB-CG 4.48Å; T53-L68 HydrophobicContact CG2-CD1 4.02Å; E66-L68 HydrophobicContact CG-CD2 4.47Å
69	T	93.8	Very high	89	Confident	55 Å²	55	48 Å²	48	34%	0.337	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	130.5	174.5	-53.5	0	0	0	0	110.5	Q19 H21 R51	Q19-T69 HydrophobicContact CB-CG2 4.34Å; Q19-T69 HydrophobicContact CG-CG2 4.41Å; H21-T69 PolarHBondContact CE1-OG1 3.46Å; H21-T69 PolarHBondContact ND1-OG1 2.87Å; R51-T69 PolarHBondContact NE-O 2.88Å
70	L	91.3	Very high	90.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	137.6	-177.1	-56.4	173.4	0	0	0	109.9	Q19 L20 A22 V44 A46 R51 V72 V78	Q19-L70 WeakPolarHBondContact CA-O 3.43Å; L20-L70 PolarHBondContact N-O 3.42Å; L20-L70 PolarHBondContact O-N 3.17Å; A22-L70 HydrophobicContact CB-CD1 4.04Å; V44-L70 HydrophobicContact CG1-CD1 3.85Å; V44-L70 HydrophobicContact CG1-CD2 4.22Å; A46-L70 HydrophobicContact CB-CB 4.41Å; A46-L70 HydrophobicContact CB-CD1 4.28Å; R51-L70 HydrophobicContact CB-CD2 4.37Å; R51-L70 HydrophobicContact CG-CD2 3.76Å; L70-V72 HydrophobicContact CB-CG1 3.85Å; L70-V78 HydrophobicContact CD1-CG1 3.89Å
71	T	90.3	Very high	91.2	Very high	44 Å²	44	47.3 Å²	47.3	27%	0.27	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	119.5	166	-49.5	0	0	0	0	108.7	T17 E49	T17-T71 HydrophobicContact CG2-CG2 4.1Å; E49-T71 WeakPolarHBondContact OE1-CB 3.22Å; E49-T71 PolarHBondContact OE1-OG1 2.82Å
72	V	90.2	Very high	91.7	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	167.7	-174.1	-55.5	0	0	0	0	112.8	T17 S18 L20 A46 L70 T76 L101 L142	T17-V72 WeakPolarHBondContact CA-O 3.29Å; S18-V72 PolarHBondContact N-O 2.8Å; S18-V72 PolarHBondContact O-N 2.96Å; L20-V72 HydrophobicContact CB-CG1 4.14Å; L20-V72 HydrophobicContact CB-CG2 3.6Å; L20-V72 HydrophobicContact CD2-CG1 4.38Å; L20-V72 HydrophobicContact CD2-CG2 4.49Å; A46-V72 HydrophobicContact CB-CG1 4.07Å; L70-V72 HydrophobicContact CB-CG1 3.85Å; V72-T76 HydrophobicContact CB-CG2 4.28Å; V72-T76 HydrophobicContact CG1-CG2 4.22Å; V72-L101 HydrophobicContact CB-CD1 3.91Å; V72-L101 HydrophobicContact CG1-CD1 4.04Å; V72-L101 HydrophobicContact CG2-CD1 3.97Å; V72-L142 HydrophobicContact CG2-CD1 4.16Å; V72-L142 HydrophobicContact CG2-CD2 4.09Å
73	T	87.4	Confident	92	Very high	4 Å²	4	45.7 Å²	45.7	3%	0.025	22%	0.215	C	C	.	.			trans	-117.7	166.6	161	72.9	0	0	0	0	108.9	T17 H75 T76	T17-T73 HydrophobicContact CG2-CG2 4.06Å; T73-H75 PolarHBondContact O-N 2.77Å; T73-H75 PolarHBondContact OG1-N 2.73Å; T73-T76 PolarHBondContact N-OG1 2.81Å; T73-T76 WeakPolarHBondContact O-CB 3.33Å; T73-T76 PolarHBondContact O-N 2.79Å; T73-T76 VanDerWaalsContact O-N 3.1Å; T73-T76 PolarHBondContact O-OG1 2.83Å; T73-T76 VanDerWaalsContact O-OG1 3.12Å; T73-T76 PolarHBondContact OG1-OG1 2.95Å; T73-T76 VanDerWaalsContact OG1-OG1 3.06Å
74	P	84.1	Confident	91.9	Very high	13 Å²	13	39.3 Å²	39.3	8%	0.084	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-17.7	174.8	-28	37.6	0	0	0	114.9	I102 L105 V144	P74-I102 WeakPolarHBondContact O-CA 3.36Å; P74-I102 WeakPolarHBondContact O-CB 3.43Å; P74-I102 PolarHBondContact O-N 3.39Å; P74-I102 VanDerWaalsContact O-N 3.12Å; P74-L105 HydrophobicContact CB-CD1 3.98Å; P74-V144 HydrophobicContact CB-CG2 3.74Å; P74-V144 HydrophobicContact CG-CG2 3.56Å
75	H	84.9	Confident	91.5	Very high	111 Å²	111	39.8 Å²	39.8	51%	0.514	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	8	-177.5	-59.8	67.5	0	0	0	112.8	T73	T73-H75 PolarHBondContact O-N 2.77Å; T73-H75 PolarHBondContact OG1-N 2.73Å
76	T	90.9	Very high	90.6	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.006	18%	0.176	C	C	.	.			trans	-76.6	134	-176.7	-61	0	0	0	0	110.6	A46 E47 V72 T73 V78 L101	A46-T76 HydrophobicContact CB-CG2 3.95Å; E47-T76 HydrophobicContact CG-CG2 3.8Å; E47-T76 WeakPolarHBondContact CG-OG1 3.39Å; E47-T76 VanDerWaalsContact OE1-CB 3.29Å; E47-T76 WeakPolarHBondContact OE1-CB 3.49Å; E47-T76 WeakPolarHBondContact OE1-CG2 3.24Å; E47-T76 PolarHBondContact OE1-OG1 3.21Å; V72-T76 HydrophobicContact CB-CG2 4.28Å; V72-T76 HydrophobicContact CG1-CG2 4.22Å; T73-T76 PolarHBondContact N-OG1 2.81Å; T73-T76 WeakPolarHBondContact O-CB 3.33Å; T73-T76 PolarHBondContact O-N 2.79Å; T73-T76 VanDerWaalsContact O-N 3.1Å; T73-T76 PolarHBondContact O-OG1 2.83Å; T73-T76 VanDerWaalsContact O-OG1 3.12Å; T73-T76 PolarHBondContact OG1-OG1 2.95Å; T73-T76 VanDerWaalsContact OG1-OG1 3.06Å; T76-V78 HydrophobicContact CG2-CG2 4.34Å; T76-L101 VanDerWaalsContact O-CB 3.32Å; T76-L101 WeakPolarHBondContact O-CB 3.25Å; T76-L101 VanDerWaalsContact O-CG 3.27Å; T76-L101 WeakPolarHBondContact O-CG 3.4Å; T76-L101 PolarHBondContact O-N 3.32Å; T76-L101 VanDerWaalsContact O-N 3.16Å
77	Q	93.6	Very high	89.2	Confident	120 Å²	120	40.7 Å²	40.7	56%	0.561	20%	0.201	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	130.5	164.6	-67.4	-175.7	-8.5	0	0	109.3	T98 L99 D100	Q77-T98 HydrophobicContact CB-CG2 3.99Å; Q77-L99 CarbonylContact C-O 3.45Å; Q77-L99 WeakPolarHBondContact CA-O 3.33Å; Q77-D100 HydrophobicContact CG-CB 4.31Å
78	V	94.8	Very high	87.1	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	111.7	-179.9	-174.6	0	0	0	0	108.9	V44 T45 A46 L70 T76 F80 L99 L101	V44-V78 HydrophobicContact CG1-CG1 3.51Å; T45-V78 CarbonylContact O-C 3.6Å; T45-V78 WeakPolarHBondContact O-CA 3.29Å; A46-V78 HydrophobicContact CB-CG1 4.39Å; A46-V78 HydrophobicContact CB-CG2 4.05Å; L70-V78 HydrophobicContact CD1-CG1 3.89Å; T76-V78 HydrophobicContact CG2-CG2 4.34Å; V78-F80 HydrophobicContact CB-CE2 3.93Å; V78-F80 HydrophobicContact CG1-CD2 4.12Å; V78-F80 HydrophobicContact CG1-CE2 3.43Å; V78-F80 VanDerWaalsContact CG1-CE2 3.43Å; V78-F80 HydrophobicContact CG1-CZ 3.69Å; V78-F80 WeakPolarHBondContact O-CD2 3.4Å; V78-L99 PolarHBondContact N-O 2.84Å; V78-L99 PolarHBondContact O-N 2.86Å; V78-L101 HydrophobicContact CG2-CD1 3.88Å; V78-L101 HydrophobicContact CG2-CD2 4.07Å; V78-L101 HydrophobicContact CG2-CG 3.87Å
79	D	96	Very high	86	Confident	55 Å²	55	48 Å²	48	29%	0.294	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	129.7	176.1	-98.6	-4.9	0	0	0	110.3	V44 T45 K81 T98	V44-D79 CarbonylContact C-O 3.52Å; V44-D79 VanDerWaalsContact CA-O 3.28Å; V44-D79 WeakPolarHBondContact CA-O 3.42Å; T45-D79 PolarHBondContact N-O 3.23Å; T45-D79 PolarHBondContact O-N 2.92Å; D79-K81 IonicContact OD2-NZ 3.85Å; D79-T98 WeakPolarHBondContact OD1-CB 3.32Å; D79-T98 WeakPolarHBondContact OD1-CG2 3.23Å; D79-T98 PolarHBondContact OD1-OG1 2.79Å
80	F	96.6	Very high	84.9	Confident	1 Å²	1	49.7 Å²	49.7	0%	0.004	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	121.9	172.4	-65.1	-98.5	0	0	0	109.3	A22 V42 E43 V44 V78 K96 A97 L99 L119 L135 V137	A22-F80 HydrophobicContact CB-CE1 4.42Å; A22-F80 HydrophobicContact CB-CZ 4.42Å; V42-F80 HydrophobicContact CG1-CD1 4.36Å; E43-F80 CarbonylContact O-C 3.59Å; E43-F80 WeakPolarHBondContact O-CA 3.24Å; V44-F80 HydrophobicContact CB-CD1 4.33Å; V44-F80 HydrophobicContact CB-CE1 4.38Å; V44-F80 HydrophobicContact CG1-CD1 3.91Å; V44-F80 HydrophobicContact CG1-CE1 3.63Å; V44-F80 HydrophobicContact CG1-CG 4.45Å; V44-F80 HydrophobicContact CG1-CZ 3.98Å; V44-F80 HydrophobicContact CG2-CD1 3.56Å; V44-F80 HydrophobicContact CG2-CE1 3.76Å; V44-F80 HydrophobicContact CG2-CG 4.49Å; V78-F80 HydrophobicContact CB-CE2 3.93Å; V78-F80 HydrophobicContact CG1-CD2 4.12Å; V78-F80 HydrophobicContact CG1-CE2 3.43Å; V78-F80 VanDerWaalsContact CG1-CE2 3.43Å; V78-F80 HydrophobicContact CG1-CZ 3.69Å; V78-F80 WeakPolarHBondContact O-CD2 3.4Å; F80-K96 CarbonylContact O-C 3.59Å; F80-K96 WeakPolarHBondContact O-CA 3.22Å; F80-A97 PolarHBondContact N-O 2.94Å; F80-A97 PolarHBondContact O-N 2.89Å; F80-L99 HydrophobicContact CE2-CB 4.05Å; F80-L99 HydrophobicContact CE2-CD2 4.4Å; F80-L119 HydrophobicContact CB-CD1 4.33Å; F80-L119 HydrophobicContact CD1-CD1 4.35Å; F80-L119 HydrophobicContact CD2-CD1 3.33Å; F80-L119 HydrophobicContact CE2-CD1 3.58Å; F80-L119 HydrophobicContact CG-CD1 3.76Å; F80-L119 HydrophobicContact CZ-CD1 4.22Å; F80-L135 HydrophobicContact CB-CD2 3.78Å; F80-L135 HydrophobicContact CD1-CD2 3.84Å; F80-L135 HydrophobicContact CG-CD2 4.07Å; F80-V137 HydrophobicContact CD1-CG1 4.14Å; F80-V137 HydrophobicContact CE1-CG1 3.77Å; F80-V137 HydrophobicContact CZ-CG1 4.33Å; F80-V137 HydrophobicContact CZ-CG2 4.41Å
81	K	96.3	Very high	84.7	Confident	47 Å²	47	51.9 Å²	51.9	20%	0.204	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	121.7	-179.7	-65.3	159.9	-168.2	147.8	0	109.5	V42 E43 D79 L93 G95 K96	V42-K81 CarbonylContact C-O 3.47Å; V42-K81 WeakPolarHBondContact CA-O 3.49Å; E43-K81 HydrophobicContact CB-CB 4.29Å; E43-K81 PolarHBondContact N-O 3.3Å; E43-K81 PolarHBondContact O-N 2.9Å; E43-K81 WeakPolarHBondContact OE1-CD 3.43Å; D79-K81 IonicContact OD2-NZ 3.85Å; K81-L93 HydrophobicContact CB-CD1 3.86Å; K81-L93 HydrophobicContact CG-CD1 4.29Å; K81-G95 CarbonylContact C-O 3.59Å; K81-K96 HydrophobicContact CG-CB 4.17Å
82	V	94.3	Very high	84.6	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	121.7	177.8	-174.5	0	0	0	0	108.6	L29 I40 V42 L94 G95 L121	L29-V82 HydrophobicContact CD1-CG1 4.32Å; I40-V82 HydrophobicContact CG2-CG1 3.38Å; V42-V82 HydrophobicContact CG2-CG2 4.2Å; V82-L94 HydrophobicContact CG1-CB 4.35Å; V82-L94 WeakPolarHBondContact O-CA 3.42Å; V82-L94 WeakPolarHBondContact O-CB 3.45Å; V82-L94 PolarHBondContact O-N 3.47Å; V82-G95 PolarHBondContact N-O 2.76Å; V82-G95 PolarHBondContact O-N 3.05Å; V82-L121 HydrophobicContact CG2-CD1 3.76Å; V82-L121 HydrophobicContact CG2-CD2 3.82Å; V82-L121 HydrophobicContact CG2-CG 4.47Å
83	W	93.5	Very high	84.6	Confident	56 Å²	56	54.7 Å²	54.7	21%	0.212	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	140.4	-171.8	-71.7	101.2	0	0	0	112.1	I40 Y41 E43 D91 L93	I40-W83 VanDerWaalsContact CA-O 3.29Å; I40-W83 WeakPolarHBondContact CA-O 3.41Å; I40-W83 WeakPolarHBondContact CG2-O 3.36Å; Y41-W83 HydrophobicContact CD1-CB 4.06Å; Y41-W83 HydrophobicContact CD2-CB 4.24Å; Y41-W83 HydrophobicContact CE1-CB 3.56Å; Y41-W83 HydrophobicContact CE1-CG 4.41Å; Y41-W83 HydrophobicContact CE2-CB 3.76Å; Y41-W83 AromaticContact CE2-CD1 3.64Å; Y41-W83 AromaticContact CE2-CG 3.9Å; Y41-W83 HydrophobicContact CE2-CG 3.9Å; Y41-W83 HydrophobicContact CG-CB 4.37Å; Y41-W83 AromaticContact CZ-CD1 3.97Å; Y41-W83 AromaticContact CZ-CG 3.76Å; Y41-W83 PolarHBondContact N-O 3.48Å; Y41-W83 VanDerWaalsContact N-O 3.13Å; Y41-W83 PolarHBondContact O-N 2.6Å; E43-W83 PolarHBondContact OE1-NE1 2.66Å; W83-D91 HydrophobicContact CE3-CB 4.14Å; W83-D91 WeakPolarHBondContact CZ3-O 3.44Å; W83-L93 HydrophobicContact CD2-CD1 4.12Å; W83-L93 HydrophobicContact CE3-CB 4Å; W83-L93 HydrophobicContact CE3-CD1 4.45Å; W83-L93 HydrophobicContact CH2-CB 4.07Å; W83-L93 HydrophobicContact CH2-CD1 4.44Å; W83-L93 HydrophobicContact CZ2-CD1 4.12Å; W83-L93 HydrophobicContact CZ3-CB 3.76Å
84	S	88.9	Confident	84.7	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.007	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	105.3	172.4	-178.2	0	0	0	0	109.1	A38 H86 D91 A92	A38-S84 WeakPolarHBondContact CB-OG 3.38Å; S84-H86 PolarHBondContact O-CD2 2.54Å; S84-H86 VanDerWaalsContact O-CD2 3.29Å; S84-H86 PolarHBondContact OG-NE2 2.67Å; S84-H86 VanDerWaalsContact OG-NE2 3.1Å; S84-D91 WeakPolarHBondContact O-CA 3.42Å; S84-A92 VanDerWaalsContact CB-O 3.31Å; S84-A92 WeakPolarHBondContact CB-O 3.48Å; S84-A92 PolarHBondContact N-O 2.87Å; S84-A92 PolarHBondContact O-N 2.66Å
85	H	84	Confident	85.2	Confident	43 Å²	43	54.9 Å²	54.9	20%	0.199	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	137.5	179.7	-176.3	53.9	0	0	0	112.3	A39 Y41 K55 D91	A39-H85 WeakPolarHBondContact O-CA 3.25Å; A39-H85 WeakPolarHBondContact O-CB 3.08Å; A39-H85 PolarHBondContact O-N 3.19Å; Y41-H85 HydrophobicContact CD1-CB 4.21Å; Y41-H85 HydrophobicContact CE1-CB 4.14Å; K55-H85 HydrophobicContact CD-CB 4.26Å; K55-H85 PolarHBondContact NZ-CD2 2.84Å; K55-H85 PolarHBondContact NZ-CE1 2.97Å; K55-H85 VanDerWaalsContact NZ-CE1 3.3Å; K55-H85 PolarHBondContact NZ-NE2 3.06Å; H85-D91 VanDerWaalsContact CA-OD1 3.26Å; H85-D91 WeakPolarHBondContact CA-OD1 3.48Å; H85-D91 IonicContact CE1-OD1 3.24Å; H85-D91 IonicContact CG-OD1 2.85Å; H85-D91 IonicContact CG-OD2 3.36Å; H85-D91 VanDerWaalsContact ND1-CG 3.32Å; H85-D91 IonicContact ND1-OD1 2.67Å; H85-D91 PolarHBondContact ND1-OD1 2.82Å; H85-D91 IonicContact ND1-OD2 2.72Å; H85-D91 PolarHBondContact ND1-OD2 2.88Å
86	H	73.6	Confident	85.7	Confident	38 Å²	38	53 Å²	53	18%	0.176	28%	0.282	C	S	.	.			trans	-131.1	141.6	173.4	-64.8	-75	0	0	0	110.9	S84 K89 D91	S84-H86 PolarHBondContact O-CD2 2.54Å; S84-H86 VanDerWaalsContact O-CD2 3.29Å; S84-H86 PolarHBondContact OG-NE2 2.67Å; S84-H86 VanDerWaalsContact OG-NE2 3.1Å; H86-K89 HydrophobicContact CB-CG 3.72Å; H86-K89 WeakPolarHBondContact CB-O 3.21Å; H86-D91 PolarHBondContact N-OD1 2.83Å
87	T	61.5	Low	85.9	Confident	130 Å²	130	53.5 Å²	53.5	80%	0.798	29%	0.286	S	S	*	.	S	Bend	trans	-81.8	-33.2	177	44.1	0	0	0	0	112.8
88	L	49.4	Very low	86	Confident	141 Å²	141	51.2 Å²	51.2	74%	0.738	28%	0.281	S	S	*	.	S	Bend	trans	-100	-0.3	-174.4	-57.9	178.4	0	0	0	114.3	L755	L88-L755 HydrophobicContact CD1-CD1 4.45Å; L88-L755 HydrophobicContact CD1-CD2 4.43Å
89	K	69.7	Low	86	Confident	148 Å²	148	51.4 Å²	51.4	64%	0.643	28%	0.282	S	S	*	.	S	Bend	trans	-160.2	169.9	179.3	64	-175.5	176.2	-165.6	0	111.8	H86	H86-K89 HydrophobicContact CB-CG 3.72Å; H86-K89 WeakPolarHBondContact CB-O 3.21Å
90	A	72.7	Confident	85.8	Confident	90 Å²	90	50.2 Å²	50.2	74%	0.744	28%	0.275	S	S	*	.			trans	-58.6	145.6	176.8	0	0	0	0	0	113.2
91	D	85.9	Confident	85.5	Confident	45 Å²	45	50.1 Å²	50.1	24%	0.241	28%	0.275	C	S	.	.			trans	-65.8	139.8	180	-68.9	-5.5	0	0	0	111.6	Y41 W83 S84 H85 H86	Y41-D91 WeakPolarHBondContact CE1-OD2 3.5Å; Y41-D91 PolarHBondContact OH-OD2 2.93Å; Y41-D91 VanDerWaalsContact OH-OD2 3.14Å; W83-D91 HydrophobicContact CE3-CB 4.14Å; W83-D91 WeakPolarHBondContact CZ3-O 3.44Å; S84-D91 WeakPolarHBondContact O-CA 3.42Å; H85-D91 VanDerWaalsContact CA-OD1 3.26Å; H85-D91 WeakPolarHBondContact CA-OD1 3.48Å; H85-D91 IonicContact CE1-OD1 3.24Å; H85-D91 IonicContact CG-OD1 2.85Å; H85-D91 IonicContact CG-OD2 3.36Å; H85-D91 VanDerWaalsContact ND1-CG 3.32Å; H85-D91 IonicContact ND1-OD1 2.67Å; H85-D91 PolarHBondContact ND1-OD1 2.82Å; H85-D91 IonicContact ND1-OD2 2.72Å; H85-D91 PolarHBondContact ND1-OD2 2.88Å; H86-D91 PolarHBondContact N-OD1 2.83Å
92	A	88.3	Confident	85.1	Confident	41 Å²	41	50.5 Å²	50.5	34%	0.339	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	125	-175.6	0	0	0	0	0	111.7	S84 L94	S84-A92 VanDerWaalsContact CB-O 3.31Å; S84-A92 WeakPolarHBondContact CB-O 3.48Å; S84-A92 PolarHBondContact N-O 2.87Å; S84-A92 PolarHBondContact O-N 2.66Å; A92-L94 PolarHBondContact O-N 2.92Å
93	L	91.1	Very high	84.8	Confident	62 Å²	62	55.4 Å²	55.4	33%	0.325	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	118.3	176.7	-176.9	66.4	0	0	0	110.1	K81 W83 V123	K81-L93 HydrophobicContact CB-CD1 3.86Å; K81-L93 HydrophobicContact CG-CD1 4.29Å; W83-L93 HydrophobicContact CD2-CD1 4.12Å; W83-L93 HydrophobicContact CE3-CB 4Å; W83-L93 HydrophobicContact CE3-CD1 4.45Å; W83-L93 HydrophobicContact CH2-CB 4.07Å; W83-L93 HydrophobicContact CH2-CD1 4.44Å; W83-L93 HydrophobicContact CZ2-CD1 4.12Å; W83-L93 HydrophobicContact CZ3-CB 3.76Å; L93-V123 HydrophobicContact CD2-CG2 4.12Å; L93-V123 HydrophobicContact CG-CG2 4.29Å
94	L	89.8	Confident	84.6	Confident	22 Å²	22	52.7 Å²	52.7	12%	0.115	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-23.5	177.4	-62.5	-175.8	0	0	0	112.9	L29 I40 V82 A92 V132	L29-L94 HydrophobicContact CD1-CD1 3.78Å; I40-L94 HydrophobicContact CD1-CD1 3.67Å; I40-L94 HydrophobicContact CG1-CD1 4.05Å; I40-L94 HydrophobicContact CG2-CD1 4.1Å; V82-L94 HydrophobicContact CG1-CB 4.35Å; V82-L94 WeakPolarHBondContact O-CA 3.42Å; V82-L94 WeakPolarHBondContact O-CB 3.45Å; V82-L94 PolarHBondContact O-N 3.47Å; A92-L94 PolarHBondContact O-N 2.92Å; L94-V132 WeakPolarHBondContact O-CG2 2.94Å
95	G	93.1	Very high	84.5	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170	160.1	173.6	0	0	0	0	0	112.7	K81 V82 S122	K81-G95 CarbonylContact C-O 3.59Å; V82-G95 PolarHBondContact N-O 2.76Å; V82-G95 PolarHBondContact O-N 3.05Å; G95-S122 CarbonylContact C-O 3.54Å; G95-S122 VanDerWaalsContact CA-O 3.25Å; G95-S122 WeakPolarHBondContact CA-O 3.46Å
96	K	95.4	Very high	84.6	Confident	71 Å²	71	57.3 Å²	57.3	31%	0.309	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	154.3	176	58.9	170.6	178.4	177.8	0	111.2	F80 K81 L121 S122 D124	F80-K96 CarbonylContact O-C 3.59Å; F80-K96 WeakPolarHBondContact O-CA 3.22Å; K81-K96 HydrophobicContact CG-CB 4.17Å; K96-L121 CarbonylContact O-C 3.6Å; K96-L121 WeakPolarHBondContact O-CA 3.13Å; K96-S122 WeakPolarHBondContact CG-O 3.41Å; K96-S122 PolarHBondContact N-O 2.82Å; K96-S122 PolarHBondContact O-N 3.31Å; K96-D124 WeakPolarHBondContact CE-OD2 3.5Å; K96-D124 IonicContact NZ-OD2 3.9Å; K96-D124 PolarHBondContact NZ-OD2 2.86Å
97	A	96.1	Very high	85.3	Confident	11 Å²	11	61.5 Å²	61.5	9%	0.091	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	150.4	165.6	0	0	0	0	0	109.1	F80 L119 K120 L121	F80-A97 PolarHBondContact N-O 2.94Å; F80-A97 PolarHBondContact O-N 2.89Å; A97-L119 HydrophobicContact CB-CB 3.79Å; A97-K120 WeakPolarHBondContact CB-O 3.5Å; A97-L121 HydrophobicContact CB-CD2 4.12Å
98	T	94.9	Very high	86.5	Confident	73 Å²	73	58 Å²	58	45%	0.448	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	134.7	177.5	-49.7	0	0	0	0	108.7	Q77 D79	Q77-T98 HydrophobicContact CB-CG2 3.99Å; D79-T98 WeakPolarHBondContact OD1-CB 3.32Å; D79-T98 WeakPolarHBondContact OD1-CG2 3.23Å; D79-T98 PolarHBondContact OD1-OG1 2.79Å
99	L	94.8	Very high	88.2	Confident	5 Å²	5	58.8 Å²	58.8	3%	0.026	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	122.6	173.9	175	68.8	0	0	0	109	Q77 V78 F80 L101 A104 E117 L119 L139	Q77-L99 CarbonylContact C-O 3.45Å; Q77-L99 WeakPolarHBondContact CA-O 3.33Å; V78-L99 PolarHBondContact N-O 2.84Å; V78-L99 PolarHBondContact O-N 2.86Å; F80-L99 HydrophobicContact CE2-CB 4.05Å; F80-L99 HydrophobicContact CE2-CD2 4.4Å; L99-L101 HydrophobicContact CD2-CD2 3.96Å; L99-L101 HydrophobicContact CG-CD2 4.39Å; L99-A104 HydrophobicContact CD1-CB 4.22Å; L99-E117 HydrophobicContact CD1-CG 4.46Å; L99-L119 HydrophobicContact CB-CD2 4.24Å; L99-L119 HydrophobicContact CD1-CD2 4.14Å; L99-L139 HydrophobicContact CD2-CD1 3.53Å; L99-L139 HydrophobicContact CD2-CD2 4.1Å; L99-L139 HydrophobicContact CD2-CG 4.44Å
100	D	92.4	Very high	88.9	Confident	29 Å²	29	56.8 Å²	56.8	16%	0.155	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	118.1	170	-168.3	-20.2	0	0	0	109.6	Q77 I102 Q103 A104	Q77-D100 HydrophobicContact CG-CB 4.31Å; D100-I102 VanDerWaalsContact C-N 3.35Å; D100-I102 PolarHBondContact O-N 2.93Å; D100-I102 WeakPolarHBondContact OD1-CG2 3.36Å; D100-I102 PolarHBondContact OD1-N 2.82Å; D100-Q103 HydrophobicContact CB-CB 4.19Å; D100-Q103 HydrophobicContact CB-CG 3.97Å; D100-Q103 PolarHBondContact O-N 2.85Å; D100-Q103 PolarHBondContact OD2-NE2 3.42Å; D100-A104 PolarHBondContact O-N 2.92Å
101	L	90.6	Very high	89.6	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-70	-28.6	-176	-68.3	-176.8	0	0	0	113.2	L20 V72 T76 V78 L99 A104 L105 L112 L142	L20-L101 HydrophobicContact CD2-CD1 3.73Å; L20-L101 HydrophobicContact CD2-CD2 3.68Å; L20-L101 HydrophobicContact CD2-CG 4.39Å; V72-L101 HydrophobicContact CB-CD1 3.91Å; V72-L101 HydrophobicContact CG1-CD1 4.04Å; V72-L101 HydrophobicContact CG2-CD1 3.97Å; T76-L101 VanDerWaalsContact O-CB 3.32Å; T76-L101 WeakPolarHBondContact O-CB 3.25Å; T76-L101 VanDerWaalsContact O-CG 3.27Å; T76-L101 WeakPolarHBondContact O-CG 3.4Å; T76-L101 PolarHBondContact O-N 3.32Å; T76-L101 VanDerWaalsContact O-N 3.16Å; V78-L101 HydrophobicContact CG2-CD1 3.88Å; V78-L101 HydrophobicContact CG2-CD2 4.07Å; V78-L101 HydrophobicContact CG2-CG 3.87Å; L99-L101 HydrophobicContact CD2-CD2 3.96Å; L99-L101 HydrophobicContact CG-CD2 4.39Å; L101-A104 PolarHBondContact O-N 2.82Å; L101-L105 WeakPolarHBondContact O-CB 3.44Å; L101-L105 WeakPolarHBondContact O-CD1 3.27Å; L101-L105 VanDerWaalsContact O-CG 3.31Å; L101-L105 WeakPolarHBondContact O-CG 3.46Å; L101-L105 PolarHBondContact O-N 2.92Å; L101-L112 HydrophobicContact CD2-CD1 4.29Å; L101-L142 HydrophobicContact CD1-CD2 4.05Å
102	I	87.2	Confident	89.7	Confident	55 Å²	55	54.7 Å²	54.7	28%	0.282	27%	0.267	S	S	.	.	H	α-helix	trans	-68.9	-43.1	179	-154	165	0	0	0	109.8	P74 D100 A104 L105 E106	P74-I102 WeakPolarHBondContact O-CA 3.36Å; P74-I102 WeakPolarHBondContact O-CB 3.43Å; P74-I102 PolarHBondContact O-N 3.39Å; P74-I102 VanDerWaalsContact O-N 3.12Å; D100-I102 VanDerWaalsContact C-N 3.35Å; D100-I102 PolarHBondContact O-N 2.93Å; D100-I102 WeakPolarHBondContact OD1-CG2 3.36Å; D100-I102 PolarHBondContact OD1-N 2.82Å; I102-A104 VanDerWaalsContact C-N 3.25Å; I102-A104 PolarHBondContact O-N 3.39Å; I102-L105 PolarHBondContact O-N 2.89Å; I102-E106 WeakPolarHBondContact O-CB 3.21Å; I102-E106 VanDerWaalsContact O-CG 3.29Å; I102-E106 WeakPolarHBondContact O-CG 3.45Å; I102-E106 PolarHBondContact O-N 3Å
103	Q	89.1	Confident	89.7	Confident	102 Å²	102	58.1 Å²	58.1	48%	0.477	28%	0.276	S	S	.	.	H	α-helix	trans	-65.2	-28.3	173.8	-58.7	178.9	40.1	0	0	112.3	D100 R107	D100-Q103 HydrophobicContact CB-CB 4.19Å; D100-Q103 HydrophobicContact CB-CG 3.97Å; D100-Q103 PolarHBondContact O-N 2.85Å; D100-Q103 PolarHBondContact OD2-NE2 3.42Å; Q103-R107 WeakPolarHBondContact O-CB 3.4Å; Q103-R107 VanDerWaalsContact O-CG 3.25Å; Q103-R107 WeakPolarHBondContact O-CG 3.47Å; Q103-R107 PolarHBondContact O-N 2.88Å; Q103-R107 PolarHBondContact O-NE 3.2Å
104	A	88.1	Confident	89.5	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-72.9	-46.8	173.1	0	0	0	0	0	111.3	L99 D100 L101 I102 E106 R107 H108 L112	L99-A104 HydrophobicContact CD1-CB 4.22Å; D100-A104 PolarHBondContact O-N 2.92Å; L101-A104 PolarHBondContact O-N 2.82Å; I102-A104 VanDerWaalsContact C-N 3.25Å; I102-A104 PolarHBondContact O-N 3.39Å; A104-E106 VanDerWaalsContact C-N 3.35Å; A104-E106 PolarHBondContact O-N 3.38Å; A104-R107 PolarHBondContact O-N 3.18Å; A104-R107 VanDerWaalsContact O-N 3.17Å; A104-H108 PolarHBondContact O-CD2 3.09Å; A104-H108 PolarHBondContact O-N 2.96Å; A104-L112 HydrophobicContact CB-CD1 4.33Å; A104-L112 HydrophobicContact CB-CD2 4.31Å
105	L	86.8	Confident	89.6	Confident	5 Å²	5	59.7 Å²	59.7	3%	0.026	29%	0.285	C	S	.	.	H	α-helix	trans	-60.2	-42.6	176	-74.5	159.1	0	0	0	111.7	P74 L101 I102 R107 H108 D109 R110 L112 L142 V144	P74-L105 HydrophobicContact CB-CD1 3.98Å; L101-L105 WeakPolarHBondContact O-CB 3.44Å; L101-L105 WeakPolarHBondContact O-CD1 3.27Å; L101-L105 VanDerWaalsContact O-CG 3.31Å; L101-L105 WeakPolarHBondContact O-CG 3.46Å; L101-L105 PolarHBondContact O-N 2.92Å; I102-L105 PolarHBondContact O-N 2.89Å; L105-R107 VanDerWaalsContact C-N 3.29Å; L105-R107 PolarHBondContact O-N 3.32Å; L105-H108 CarbonylContact O-C 3.6Å; L105-H108 PolarHBondContact O-N 3.05Å; L105-D109 PolarHBondContact O-N 3.41Å; L105-R110 WeakPolarHBondContact CD2-O 3.25Å; L105-R110 WeakPolarHBondContact O-CA 3.35Å; L105-R110 PolarHBondContact O-N 3.29Å; L105-L112 HydrophobicContact CD2-CD1 4.31Å; L105-L112 HydrophobicContact CD2-CG 3.9Å; L105-L112 HydrophobicContact CG-CD1 4.29Å; L105-L112 HydrophobicContact CG-CG 4.29Å; L105-L142 HydrophobicContact CD1-CD2 4.02Å; L105-L142 HydrophobicContact CD2-CD2 4.45Å; L105-L142 HydrophobicContact CD2-CG 4.37Å; L105-V144 HydrophobicContact CD1-CG2 3.72Å; L105-V144 HydrophobicContact CD2-CG2 4.23Å
106	E	86.6	Confident	89.7	Confident	136 Å²	136	65.1 Å²	65.1	64%	0.636	31%	0.309	S	S	*	.	H	α-helix	trans	-62.7	-31.8	175.3	-73.9	172.6	163.7	0	0	113.5	I102 A104	I102-E106 WeakPolarHBondContact O-CB 3.21Å; I102-E106 VanDerWaalsContact O-CG 3.29Å; I102-E106 WeakPolarHBondContact O-CG 3.45Å; I102-E106 PolarHBondContact O-N 3Å; A104-E106 VanDerWaalsContact C-N 3.35Å; A104-E106 PolarHBondContact O-N 3.38Å
107	R	88.3	Confident	89.6	Confident	126 Å²	126	62.7 Å²	62.7	48%	0.475	30%	0.299	S	S	.	.	H	α-helix	trans	-81.7	-14.2	178.1	-76.9	178.7	-68.2	127.9	-6.6	114.2	Q103 A104 L105 E117	Q103-R107 WeakPolarHBondContact O-CB 3.4Å; Q103-R107 VanDerWaalsContact O-CG 3.25Å; Q103-R107 WeakPolarHBondContact O-CG 3.47Å; Q103-R107 PolarHBondContact O-N 2.88Å; Q103-R107 PolarHBondContact O-NE 3.2Å; A104-R107 PolarHBondContact O-N 3.18Å; A104-R107 VanDerWaalsContact O-N 3.17Å; L105-R107 VanDerWaalsContact C-N 3.29Å; L105-R107 PolarHBondContact O-N 3.32Å; R107-E117 IonicContact CZ-OE1 3.48Å; R107-E117 IonicContact CZ-OE2 2.72Å; R107-E117 IonicContact NH1-OE1 2.89Å; R107-E117 PolarHBondContact NH1-OE1 2.89Å; R107-E117 IonicContact NH1-OE2 3.84Å; R107-E117 PolarHBondContact NH1-OE2 3.29Å; R107-E117 IonicContact NH2-OE2 2.66Å; R107-E117 PolarHBondContact NH2-OE2 2.79Å; R107-E117 VanDerWaalsContact NH2-OE2 3.11Å
108	H	87.6	Confident	89.6	Confident	57 Å²	57	65.6 Å²	65.6	26%	0.264	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.1	54.4	-174.2	-59.5	-79.3	0	0	0	110.3	A104 L105 R110 K111 L112 V115 E117	A104-H108 PolarHBondContact O-CD2 3.09Å; A104-H108 PolarHBondContact O-N 2.96Å; L105-H108 CarbonylContact O-C 3.6Å; L105-H108 PolarHBondContact O-N 3.05Å; H108-R110 VanDerWaalsContact C-N 3.29Å; H108-R110 PolarHBondContact O-N 3.03Å; H108-K111 CarbonylContact O-C 3.5Å; H108-K111 PolarHBondContact O-N 2.81Å; H108-L112 HydrophobicContact CB-CD2 4.1Å; H108-V115 HydrophobicContact CB-CG1 4.45Å; H108-V115 HydrophobicContact CB-CG2 4.16Å; H108-V115 VanDerWaalsContact CD2-CG1 3.41Å; H108-V115 WeakPolarHBondContact CD2-CG1 3.49Å; H108-V115 VanDerWaalsContact NE2-CG1 3.32Å; H108-V115 WeakPolarHBondContact NE2-CG1 3.41Å; H108-E117 IonicContact CD2-OE1 3.75Å; H108-E117 IonicContact CE1-OE1 3.35Å; H108-E117 IonicContact NE2-OE1 2.69Å; H108-E117 PolarHBondContact NE2-OE1 3.27Å
109	D	84.6	Confident	89.6	Confident	157 Å²	157	62.7 Å²	62.7	84%	0.84	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	47	40.9	169.9	-59.8	-40.3	0	0	0	115.9	L105 K111	L105-D109 PolarHBondContact O-N 3.41Å; D109-K111 PolarHBondContact O-N 2.76Å
110	R	84.8	Confident	89.6	Confident	106 Å²	106	70.5 Å²	70.5	40%	0.4	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	59	20.1	-176.6	-61	-179.8	168.7	-164.2	-12.2	114.1	L105 H108 V144 D146	L105-R110 WeakPolarHBondContact CD2-O 3.25Å; L105-R110 WeakPolarHBondContact O-CA 3.35Å; L105-R110 PolarHBondContact O-N 3.29Å; H108-R110 VanDerWaalsContact C-N 3.29Å; H108-R110 PolarHBondContact O-N 3.03Å; R110-V144 HydrophobicContact CB-CB 4.44Å; R110-V144 PolarHBondContact O-N 2.92Å; R110-D146 IonicContact CZ-OD1 2.79Å; R110-D146 IonicContact NH1-OD1 2.74Å; R110-D146 PolarHBondContact NH1-OD1 2.94Å
111	K	85.9	Confident	89.7	Confident	91 Å²	91	69.2 Å²	69.2	40%	0.396	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	111.9	-170.9	-178.9	168.3	-135.4	-136.8	0	113.7	H108 D109 E113 T143	H108-K111 CarbonylContact O-C 3.5Å; H108-K111 PolarHBondContact O-N 2.81Å; D109-K111 PolarHBondContact O-N 2.76Å; K111-E113 HydrophobicContact CD-CG 4.5Å; K111-E113 WeakPolarHBondContact CE-OE1 3.36Å; K111-E113 WeakPolarHBondContact CE-OE2 3.28Å; K111-E113 HydrophobicContact CG-CG 4.15Å; K111-E113 IonicContact NZ-OE1 2.93Å; K111-E113 PolarHBondContact NZ-OE1 3.13Å; K111-E113 IonicContact NZ-OE2 2.76Å; K111-E113 PolarHBondContact NZ-OE2 2.65Å; K111-T143 HydrophobicContact CB-CG2 3.99Å; K111-T143 HydrophobicContact CD-CG2 4.13Å; K111-T143 HydrophobicContact CG-CG2 3.62Å
112	L	87.9	Confident	89.8	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	90.6	172.6	-55.4	-179.3	0	0	0	110.8	L20 L101 A104 L105 H108 V115 L139 D140 G141 L142	L20-L112 HydrophobicContact CD1-CD1 4.4Å; L101-L112 HydrophobicContact CD2-CD1 4.29Å; A104-L112 HydrophobicContact CB-CD1 4.33Å; A104-L112 HydrophobicContact CB-CD2 4.31Å; L105-L112 HydrophobicContact CD2-CD1 4.31Å; L105-L112 HydrophobicContact CD2-CG 3.9Å; L105-L112 HydrophobicContact CG-CD1 4.29Å; L105-L112 HydrophobicContact CG-CG 4.29Å; H108-L112 HydrophobicContact CB-CD2 4.1Å; L112-V115 HydrophobicContact CD2-CB 4.09Å; L112-V115 HydrophobicContact CD2-CG1 3.96Å; L112-V115 HydrophobicContact CD2-CG2 4.14Å; L112-L139 CarbonylContact C-O 3.41Å; L112-L139 HydrophobicContact CB-CB 4.22Å; L112-L139 HydrophobicContact CD1-CB 4.22Å; L112-L139 HydrophobicContact CD1-CD1 4.14Å; L112-D140 CarbonylContact O-C 3.4Å; L112-D140 WeakPolarHBondContact O-CA 3.41Å; L112-G141 PolarHBondContact O-N 2.94Å; L112-L142 HydrophobicContact CB-CB 4.33Å; L112-L142 HydrophobicContact CD1-CB 4.47Å; L112-L142 HydrophobicContact CD1-CD2 4.26Å; L112-L142 PolarHBondContact N-O 3.14Å; L112-L142 PolarHBondContact O-N 3.45Å
113	E	88.5	Confident	90	Very high	112 Å²	112	69 Å²	69	52%	0.523	33%	0.326	S	S	.	.	S	Bend	trans	-117.6	110.9	169.4	-76.8	178.8	173.1	0	0	109.6	K111 V115 L139	K111-E113 HydrophobicContact CD-CG 4.5Å; K111-E113 WeakPolarHBondContact CE-OE1 3.36Å; K111-E113 WeakPolarHBondContact CE-OE2 3.28Å; K111-E113 HydrophobicContact CG-CG 4.15Å; K111-E113 IonicContact NZ-OE1 2.93Å; K111-E113 PolarHBondContact NZ-OE1 3.13Å; K111-E113 IonicContact NZ-OE2 2.76Å; K111-E113 PolarHBondContact NZ-OE2 2.65Å; E113-V115 PolarHBondContact O-N 2.94Å; E113-L139 CarbonylContact C-O 3.55Å
114	N	88.3	Confident	89.9	Confident	99 Å²	99	68.2 Å²	68.2	53%	0.529	33%	0.325	S	S	.	.	S	Bend	trans	45.8	32.6	-174.6	-163.3	30.7	0	0	0	115.2	L139 D140	N114-L139 CarbonylContact C-O 3.54Å; N114-L139 WeakPolarHBondContact CA-O 3.35Å; N114-L139 PolarHBondContact N-O 2.96Å; N114-D140 PolarHBondContact N-OD1 2.87Å
115	V	91.8	Very high	89.5	Confident	19 Å²	19	73.8 Å²	73.8	12%	0.115	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	124.5	-174.7	161.2	0	0	0	0	110.9	H108 L112 E113 Y138 L139	H108-V115 HydrophobicContact CB-CG1 4.45Å; H108-V115 HydrophobicContact CB-CG2 4.16Å; H108-V115 VanDerWaalsContact CD2-CG1 3.41Å; H108-V115 WeakPolarHBondContact CD2-CG1 3.49Å; H108-V115 VanDerWaalsContact NE2-CG1 3.32Å; H108-V115 WeakPolarHBondContact NE2-CG1 3.41Å; L112-V115 HydrophobicContact CD2-CB 4.09Å; L112-V115 HydrophobicContact CD2-CG1 3.96Å; L112-V115 HydrophobicContact CD2-CG2 4.14Å; E113-V115 PolarHBondContact O-N 2.94Å; V115-Y138 CarbonylContact O-C 3.57Å; V115-Y138 VanDerWaalsContact O-CA 3.24Å; V115-Y138 WeakPolarHBondContact O-CA 3.47Å; V115-L139 HydrophobicContact CB-CB 4.4Å; V115-L139 PolarHBondContact N-O 3.03Å; V115-L139 PolarHBondContact O-N 2.78Å
116	K	93.7	Very high	88.9	Confident	113 Å²	113	84 Å²	84	49%	0.491	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	117.8	-176.7	-172.4	-175.3	-179.8	178.1	0	112.8	T136 V137 Y138	K116-T136 HydrophobicContact CD-CG2 4.46Å; K116-T136 VanDerWaalsContact CE-CG2 3.47Å; K116-T136 HydrophobicContact CG-CG2 4.21Å; K116-V137 WeakPolarHBondContact CA-O 3.42Å; K116-Y138 HydrophobicContact CB-CD1 3.65Å; K116-Y138 HydrophobicContact CB-CE1 3.56Å; K116-Y138 HydrophobicContact CD-CE1 3.72Å; K116-Y138 HydrophobicContact CG-CD1 3.96Å; K116-Y138 HydrophobicContact CG-CE1 3.55Å
117	E	94.2	Very high	88.2	Confident	21 Å²	21	81.3 Å²	81.3	10%	0.098	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	146.8	171.2	-68.1	-75.5	118.1	0	0	111.2	L99 R107 H108 L119 V137 L139	L99-E117 HydrophobicContact CD1-CG 4.46Å; R107-E117 IonicContact CZ-OE1 3.48Å; R107-E117 IonicContact CZ-OE2 2.72Å; R107-E117 IonicContact NH1-OE1 2.89Å; R107-E117 PolarHBondContact NH1-OE1 2.89Å; R107-E117 IonicContact NH1-OE2 3.84Å; R107-E117 PolarHBondContact NH1-OE2 3.29Å; R107-E117 IonicContact NH2-OE2 2.66Å; R107-E117 PolarHBondContact NH2-OE2 2.79Å; R107-E117 VanDerWaalsContact NH2-OE2 3.11Å; H108-E117 IonicContact CD2-OE1 3.75Å; H108-E117 IonicContact CE1-OE1 3.35Å; H108-E117 IonicContact NE2-OE1 2.69Å; H108-E117 PolarHBondContact NE2-OE1 3.27Å; E117-L119 HydrophobicContact CB-CD2 4.14Å; E117-V137 HydrophobicContact CB-CG2 3.99Å; E117-V137 PolarHBondContact N-O 2.77Å; E117-V137 PolarHBondContact O-N 2.9Å; E117-L139 HydrophobicContact CG-CD1 3.72Å
118	V	95.1	Very high	87.7	Confident	72 Å²	72	80 Å²	80	44%	0.436	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	98.6	175.5	-177.8	0	0	0	0	109	E134 L135 T136	V118-E134 HydrophobicContact CG1-CB 4.21Å; V118-L135 CarbonylContact C-O 3.46Å; V118-L135 WeakPolarHBondContact CA-O 3.38Å; V118-T136 HydrophobicContact CG2-CG2 4.5Å
119	L	95.5	Very high	87.4	Confident	12 Å²	12	80.3 Å²	80.3	6%	0.063	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	127.2	-172.7	-50.6	-179.7	0	0	0	110.3	F80 A97 L99 E117 L121 E134 L135 V137	F80-L119 HydrophobicContact CB-CD1 4.33Å; F80-L119 HydrophobicContact CD1-CD1 4.35Å; F80-L119 HydrophobicContact CD2-CD1 3.33Å; F80-L119 HydrophobicContact CE2-CD1 3.58Å; F80-L119 HydrophobicContact CG-CD1 3.76Å; F80-L119 HydrophobicContact CZ-CD1 4.22Å; A97-L119 HydrophobicContact CB-CB 3.79Å; L99-L119 HydrophobicContact CB-CD2 4.24Å; L99-L119 HydrophobicContact CD1-CD2 4.14Å; E117-L119 HydrophobicContact CB-CD2 4.14Å; L119-L121 PolarHBondContact O-N 2.84Å; L119-E134 CarbonylContact O-C 3.55Å; L119-E134 WeakPolarHBondContact O-CA 3.3Å; L119-L135 HydrophobicContact CB-CB 4.49Å; L119-L135 PolarHBondContact N-O 3.03Å; L119-L135 PolarHBondContact O-N 2.84Å; L119-V137 HydrophobicContact CD1-CG1 4.49Å; L119-V137 HydrophobicContact CD1-CG2 4.14Å; L119-V137 HydrophobicContact CG-CG2 4.36Å
120	K	94.4	Very high	87.6	Confident	168 Å²	168	75.3 Å²	75.3	73%	0.73	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	117	178.4	-66.4	175.6	-176.2	170.4	0	109.6	A97	A97-K120 WeakPolarHBondContact CB-O 3.5Å
121	L	95.3	Very high	87.9	Confident	2 Å²	2	74.5 Å²	74.5	1%	0.01	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	131	-179.1	-62	169	0	0	0	110.7	L29 V82 K96 A97 L119 V132 G133 L135	L29-L121 HydrophobicContact CD2-CD1 3.61Å; V82-L121 HydrophobicContact CG2-CD1 3.76Å; V82-L121 HydrophobicContact CG2-CD2 3.82Å; V82-L121 HydrophobicContact CG2-CG 4.47Å; K96-L121 CarbonylContact O-C 3.6Å; K96-L121 WeakPolarHBondContact O-CA 3.13Å; A97-L121 HydrophobicContact CB-CD2 4.12Å; L119-L121 PolarHBondContact O-N 2.84Å; L121-V132 HydrophobicContact CB-CG2 3.88Å; L121-V132 WeakPolarHBondContact O-CG2 3.25Å; L121-V132 PolarHBondContact O-N 2.8Å; L121-G133 PolarHBondContact N-O 3.37Å; L121-G133 PolarHBondContact O-N 2.77Å; L121-L135 HydrophobicContact CD1-CB 4.18Å; L121-L135 HydrophobicContact CD2-CB 4.07Å; L121-L135 HydrophobicContact CG-CB 4.15Å
122	S	92.6	Very high	88	Confident	31 Å²	31	71.5 Å²	71.5	22%	0.217	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	160.9	170.9	70.6	0	0	0	0	112.2	G95 K96 S129 V130	G95-S122 CarbonylContact C-O 3.54Å; G95-S122 VanDerWaalsContact CA-O 3.25Å; G95-S122 WeakPolarHBondContact CA-O 3.46Å; K96-S122 WeakPolarHBondContact CG-O 3.41Å; K96-S122 PolarHBondContact N-O 2.82Å; K96-S122 PolarHBondContact O-N 3.31Å; S122-S129 WeakPolarHBondContact CB-OG 3.3Å; S122-S129 PolarHBondContact OG-OG 3.22Å; S122-V130 CarbonylContact C-O 3.46Å; S122-V130 WeakPolarHBondContact CA-O 3.32Å
123	V	91.1	Very high	88.2	Confident	20 Å²	20	71.8 Å²	71.8	12%	0.121	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	141.2	166.8	84.2	0	0	0	0	109.9	L93 Q125 V130 V132	L93-V123 HydrophobicContact CD2-CG2 4.12Å; L93-V123 HydrophobicContact CG-CG2 4.29Å; V123-Q125 HydrophobicContact CG1-CG 4.1Å; V123-V130 PolarHBondContact N-O 2.8Å; V123-V130 PolarHBondContact O-N 2.9Å; V123-V132 HydrophobicContact CB-CG1 4.19Å; V123-V132 HydrophobicContact CB-CG2 4.42Å; V123-V132 HydrophobicContact CG1-CG1 3.63Å
124	D	86.6	Confident	88.6	Confident	85 Å²	85	70.1 Å²	70.1	46%	0.455	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	115.9	-174.2	-53.6	-37.9	0	0	0	110.2	K96 V128 S129	K96-D124 WeakPolarHBondContact CE-OD2 3.5Å; K96-D124 IonicContact NZ-OD2 3.9Å; K96-D124 PolarHBondContact NZ-OD2 2.86Å; D124-V128 WeakPolarHBondContact CA-O 3.48Å; D124-S129 VanDerWaalsContact OD1-CB 3.24Å; D124-S129 WeakPolarHBondContact OD1-CB 3.48Å; D124-S129 PolarHBondContact OD1-OG 3.41Å
125	Q	79.2	Confident	89	Confident	118 Å²	118	65.4 Å²	65.4	55%	0.551	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.6	117.7	177.3	-61.9	-169.1	3.8	0	0	109.4	V123 G127 V128 V130	V123-Q125 HydrophobicContact CG1-CG 4.1Å; Q125-G127 PolarHBondContact O-N 3.39Å; Q125-G127 VanDerWaalsContact O-N 3.13Å; Q125-V128 PolarHBondContact N-O 2.79Å; Q125-V128 PolarHBondContact O-N 2.78Å; Q125-V130 HydrophobicContact CB-CG2 4.33Å; Q125-V130 HydrophobicContact CG-CG2 4.42Å
126	K	74.5	Confident	89.2	Confident	220 Å²	220	65.4 Å²	65.4	96%	0.957	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	35.5	-179.6	-57.6	-177	178.2	-178.3	0	113.8
127	G	73.3	Confident	89.3	Confident	79 Å²	79	60 Å²	60	81%	0.814	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.5	-0.6	-179.2	0	0	0	0	0	115.7	Q125	Q125-G127 PolarHBondContact O-N 3.39Å; Q125-G127 VanDerWaalsContact O-N 3.13Å
128	V	76.8	Confident	89.3	Confident	98 Å²	98	62 Å²	62	59%	0.594	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.6	128.7	175.3	-177.3	0	0	0	0	109.7	D124 Q125	D124-V128 WeakPolarHBondContact CA-O 3.48Å; Q125-V128 PolarHBondContact N-O 2.79Å; Q125-V128 PolarHBondContact O-N 2.78Å
129	S	82.2	Confident	89.3	Confident	63 Å²	63	58.6 Å²	58.6	44%	0.441	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	120.3	176.5	-147.3	0	0	0	0	110.7	S122 D124	S122-S129 WeakPolarHBondContact CB-OG 3.3Å; S122-S129 PolarHBondContact OG-OG 3.22Å; D124-S129 VanDerWaalsContact OD1-CB 3.24Å; D124-S129 WeakPolarHBondContact OD1-CB 3.48Å; D124-S129 PolarHBondContact OD1-OG 3.41Å
130	V	88.4	Confident	89.2	Confident	52 Å²	52	59.6 Å²	59.6	32%	0.315	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	129.8	-173.9	-177.8	0	0	0	0	110	S122 V123 Q125 V132	S122-V130 CarbonylContact C-O 3.46Å; S122-V130 WeakPolarHBondContact CA-O 3.32Å; V123-V130 PolarHBondContact N-O 2.8Å; V123-V130 PolarHBondContact O-N 2.9Å; Q125-V130 HydrophobicContact CB-CG2 4.33Å; Q125-V130 HydrophobicContact CG-CG2 4.42Å; V130-V132 PolarHBondContact O-N 2.91Å
131	P	89.6	Confident	88.7	Confident	90 Å²	90	53.7 Å²	53.7	58%	0.584	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.8	111.6	-179.4	29.7	-34.3	0	0	0	112
132	V	89.9	Confident	88.3	Confident	27 Å²	27	53.7 Å²	53.7	16%	0.164	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	-14.6	-169.8	-70.4	0	0	0	0	114.4	K30 L94 L121 V123 V130	K30-V132 WeakPolarHBondContact CB-O 3.41Å; K30-V132 PolarHBondContact N-O 2.88Å; L94-V132 WeakPolarHBondContact O-CG2 2.94Å; L121-V132 HydrophobicContact CB-CG2 3.88Å; L121-V132 WeakPolarHBondContact O-CG2 3.25Å; L121-V132 PolarHBondContact O-N 2.8Å; V123-V132 HydrophobicContact CB-CG1 4.19Å; V123-V132 HydrophobicContact CB-CG2 4.42Å; V123-V132 HydrophobicContact CG1-CG1 3.63Å; V130-V132 PolarHBondContact O-N 2.91Å
133	G	92.2	Very high	87.8	Confident	7 Å²	7	55.7 Å²	55.7	7%	0.072	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.8	-163.1	179	0	0	0	0	0	114.7	K28 L121	K28-G133 CarbonylContact O-C 3.53Å; K28-G133 WeakPolarHBondContact O-CA 3.5Å; L121-G133 PolarHBondContact N-O 3.37Å; L121-G133 PolarHBondContact O-N 2.77Å
134	E	95.8	Very high	87.2	Confident	76 Å²	76	56.2 Å²	56.2	36%	0.355	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	144.8	173.9	-68.3	171.1	174.7	0	0	109.4	A27 K28 V118 L119	A27-E134 CarbonylContact C-O 3.54Å; A27-E134 WeakPolarHBondContact CA-O 3.41Å; A27-E134 WeakPolarHBondContact CB-O 3.35Å; K28-E134 PolarHBondContact N-O 3.07Å; K28-E134 PolarHBondContact O-N 3.27Å; V118-E134 HydrophobicContact CG1-CB 4.21Å; L119-E134 CarbonylContact O-C 3.55Å; L119-E134 WeakPolarHBondContact O-CA 3.3Å
135	L	96	Very high	86.4	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	129.2	174.3	179.4	69.5	0	0	0	109.1	V24 A27 V42 W64 F80 V118 L119 L121 V137	V24-L135 HydrophobicContact CG1-CD1 4.12Å; A27-L135 HydrophobicContact CB-CD1 3.86Å; V42-L135 HydrophobicContact CG1-CD2 3.97Å; V42-L135 HydrophobicContact CG2-CD1 4.02Å; W64-L135 HydrophobicContact CZ3-CD1 4.03Å; F80-L135 HydrophobicContact CB-CD2 3.78Å; F80-L135 HydrophobicContact CD1-CD2 3.84Å; F80-L135 HydrophobicContact CG-CD2 4.07Å; V118-L135 CarbonylContact C-O 3.46Å; V118-L135 WeakPolarHBondContact CA-O 3.38Å; L119-L135 HydrophobicContact CB-CB 4.49Å; L119-L135 PolarHBondContact N-O 3.03Å; L119-L135 PolarHBondContact O-N 2.84Å; L121-L135 HydrophobicContact CD1-CB 4.18Å; L121-L135 HydrophobicContact CD2-CB 4.07Å; L121-L135 HydrophobicContact CG-CB 4.15Å; L135-V137 HydrophobicContact CD2-CG1 4.03Å; L135-V137 HydrophobicContact CG-CG1 4.01Å
136	T	96.7	Very high	85.3	Confident	20 Å²	20	57.1 Å²	57.1	12%	0.123	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	125.2	175.3	-57.8	0	0	0	0	110	S25 C26 K116 V118 Y138	S25-T136 PolarHBondContact N-O 3.17Å; C26-T136 PolarHBondContact N-O 2.71Å; C26-T136 PolarHBondContact O-N 2.77Å; K116-T136 HydrophobicContact CD-CG2 4.46Å; K116-T136 VanDerWaalsContact CE-CG2 3.47Å; K116-T136 HydrophobicContact CG-CG2 4.21Å; V118-T136 HydrophobicContact CG2-CG2 4.5Å; T136-Y138 HydrophobicContact CG2-CE2 4.27Å
137	V	95.9	Very high	84.1	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	154.4	176.8	-56	0	0	0	0	110.5	I23 F80 K116 E117 L119 L135 L139	I23-V137 CarbonylContact O-C 3.58Å; I23-V137 VanDerWaalsContact O-CA 3.28Å; I23-V137 WeakPolarHBondContact O-CA 3.25Å; F80-V137 HydrophobicContact CD1-CG1 4.14Å; F80-V137 HydrophobicContact CE1-CG1 3.77Å; F80-V137 HydrophobicContact CZ-CG1 4.33Å; F80-V137 HydrophobicContact CZ-CG2 4.41Å; K116-V137 WeakPolarHBondContact CA-O 3.42Å; E117-V137 HydrophobicContact CB-CG2 3.99Å; E117-V137 PolarHBondContact N-O 2.77Å; E117-V137 PolarHBondContact O-N 2.9Å; L119-V137 HydrophobicContact CD1-CG1 4.49Å; L119-V137 HydrophobicContact CD1-CG2 4.14Å; L119-V137 HydrophobicContact CG-CG2 4.36Å; L135-V137 HydrophobicContact CD2-CG1 4.03Å; L135-V137 HydrophobicContact CG-CG1 4.01Å; V137-L139 HydrophobicContact CG2-CD2 4.22Å
138	Y	95.1	Very high	83.1	Confident	61 Å²	61	56.3 Å²	56.3	24%	0.239	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	141.7	167	-56.2	-103	0	0	0	109.6	A22 I23 V115 K116 T136	A22-Y138 CarbonylContact C-O 3.59Å; A22-Y138 WeakPolarHBondContact CA-O 3.48Å; I23-Y138 PolarHBondContact N-O 2.91Å; I23-Y138 PolarHBondContact O-N 3.22Å; V115-Y138 CarbonylContact O-C 3.57Å; V115-Y138 VanDerWaalsContact O-CA 3.24Å; V115-Y138 WeakPolarHBondContact O-CA 3.47Å; K116-Y138 HydrophobicContact CB-CD1 3.65Å; K116-Y138 HydrophobicContact CB-CE1 3.56Å; K116-Y138 HydrophobicContact CD-CE1 3.72Å; K116-Y138 HydrophobicContact CG-CD1 3.96Å; K116-Y138 HydrophobicContact CG-CE1 3.55Å; T136-Y138 HydrophobicContact CG2-CE2 4.27Å
139	L	94.7	Very high	81.4	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.005	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	123.3	-172.1	-56.4	175.3	0	0	0	109.5	L20 A22 L99 L112 E113 N114 V115 E117 V137	L20-L139 HydrophobicContact CD1-CB 4.27Å; A22-L139 HydrophobicContact CB-CD2 4.42Å; L99-L139 HydrophobicContact CD2-CD1 3.53Å; L99-L139 HydrophobicContact CD2-CD2 4.1Å; L99-L139 HydrophobicContact CD2-CG 4.44Å; L112-L139 CarbonylContact C-O 3.41Å; L112-L139 HydrophobicContact CB-CB 4.22Å; L112-L139 HydrophobicContact CD1-CB 4.22Å; L112-L139 HydrophobicContact CD1-CD1 4.14Å; E113-L139 CarbonylContact C-O 3.55Å; N114-L139 CarbonylContact C-O 3.54Å; N114-L139 WeakPolarHBondContact CA-O 3.35Å; N114-L139 PolarHBondContact N-O 2.96Å; V115-L139 HydrophobicContact CB-CB 4.4Å; V115-L139 PolarHBondContact N-O 3.03Å; V115-L139 PolarHBondContact O-N 2.78Å; E117-L139 HydrophobicContact CG-CD1 3.72Å; V137-L139 HydrophobicContact CG2-CD2 4.22Å
140	D	92.4	Very high	78.9	Confident	34 Å²	34	63.5 Å²	63.5	18%	0.182	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	136.2	-167.3	-177.8	50.5	0	0	0	112.7	H21 R67 L112 N114	H21-D140 HydrophobicContact CB-CB 4.3Å; H21-D140 WeakPolarHBondContact CB-O 3.27Å; H21-D140 PolarHBondContact CD2-O 2.91Å; H21-D140 PolarHBondContact N-O 2.99Å; H21-D140 PolarHBondContact O-N 2.74Å; R67-D140 IonicContact CZ-OD2 2.91Å; R67-D140 IonicContact NH1-OD2 2.77Å; R67-D140 PolarHBondContact NH1-OD2 2.89Å; R67-D140 IonicContact NH2-OD2 2.72Å; R67-D140 PolarHBondContact NH2-OD2 3.49Å; L112-D140 CarbonylContact O-C 3.4Å; L112-D140 WeakPolarHBondContact O-CA 3.41Å; N114-D140 PolarHBondContact N-OD1 2.87Å
141	G	85.2	Confident	76.2	Confident	43 Å²	43	65.6 Å²	65.6	44%	0.443	37%	0.368	S	S	.	.	S	Bend	trans	96.2	3.6	171.8	0	0	0	0	0	117.2	L112	L112-G141 PolarHBondContact O-N 2.94Å
142	L	85.1	Confident	73.6	Confident	2 Å²	2	66.2 Å²	66.2	1%	0.01	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	121.2	-179.8	-173	66.3	0	0	0	112.1	L20 V72 L101 L105 L112	L20-L142 HydrophobicContact CD1-CB 3.88Å; V72-L142 HydrophobicContact CG2-CD1 4.16Å; V72-L142 HydrophobicContact CG2-CD2 4.09Å; L101-L142 HydrophobicContact CD1-CD2 4.05Å; L105-L142 HydrophobicContact CD1-CD2 4.02Å; L105-L142 HydrophobicContact CD2-CD2 4.45Å; L105-L142 HydrophobicContact CD2-CG 4.37Å; L112-L142 HydrophobicContact CB-CB 4.33Å; L112-L142 HydrophobicContact CD1-CB 4.47Å; L112-L142 HydrophobicContact CD1-CD2 4.26Å; L112-L142 PolarHBondContact N-O 3.14Å; L112-L142 PolarHBondContact O-N 3.45Å
143	T	82.3	Confident	70.7	Confident	74 Å²	74	73.7 Å²	73.7	45%	0.454	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	142.1	173.6	35.2	0	0	0	0	110.7	K111	K111-T143 HydrophobicContact CB-CG2 3.99Å; K111-T143 HydrophobicContact CD-CG2 4.13Å; K111-T143 HydrophobicContact CG-CG2 3.62Å
144	V	78.9	Confident	67.7	Low	30 Å²	30	79 Å²	79	18%	0.182	44%	0.441	C	S	.	.			trans	-111.6	127.8	168.5	-179.7	0	0	0	0	108.3	P74 L105 R110	P74-V144 HydrophobicContact CB-CG2 3.74Å; P74-V144 HydrophobicContact CG-CG2 3.56Å; L105-V144 HydrophobicContact CD1-CG2 3.72Å; L105-V144 HydrophobicContact CD2-CG2 4.23Å; R110-V144 HydrophobicContact CB-CB 4.44Å; R110-V144 PolarHBondContact O-N 2.92Å
145	T	70.4	Confident	64.5	Low	92 Å²	92	83.8 Å²	83.8	56%	0.564	47%	0.47	S	S	*	.			trans	-97.7	154	171.7	54.8	0	0	0	0	109.4	Q147 E148	T145-Q147 PolarHBondContact O-N 3.48Å; T145-E148 PolarHBondContact O-N 2.93Å
146	D	55.7	Low	61.3	Low	131 Å²	131	86.8 Å²	86.8	70%	0.701	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	19.2	-171.6	-49.5	-60	0	0	0	114.8	R110	R110-D146 IonicContact CZ-OD1 2.79Å; R110-D146 IonicContact NH1-OD1 2.74Å; R110-D146 PolarHBondContact NH1-OD1 2.94Å
147	Q	48.4	Very low	58	Low	184 Å²	184	94 Å²	94	86%	0.86	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.4	-2.3	-177.3	-146.4	174.2	15.8	0	0	113.5	T145	T145-Q147 PolarHBondContact O-N 3.48Å
148	E	53.4	Low	54.7	Low	97 Å²	97	98.4 Å²	98.4	45%	0.453	58%	0.575	S	S	.	*	S	Bend	trans	-95.7	0.4	177.7	-63.1	-159.1	141.1	0	0	114.4	T145	T145-E148 PolarHBondContact O-N 2.93Å
149	E	40.4	Very low	51.6	Low	148 Å²	148	99.7 Å²	99.7	69%	0.692	60%	0.598	S	S	*	*			trans	-94.9	91.4	178.3	-173.7	172.3	-170.6	0	0	112.2
150	L	31.4	Very low	48.4	Very low	165 Å²	165	107.8 Å²	107.8	86%	0.864	64%	0.641	S	S	*	*			trans	-172.9	96.1	156.3	-111.2	166.4	0	0	0	113.9
151	A	30.8	Very low	45.2	Very low	95 Å²	95	109.2 Å²	109.2	79%	0.785	66%	0.664	S	S	*	*			trans	179.6	87.7	148.3	0	0	0	0	0	112
152	P	35.4	Very low	42.5	Very low	103 Å²	103	113.6 Å²	113.6	67%	0.669	68%	0.682	S	S	*	*			trans	-77.9	136.5	176.7	31.3	-33.8	0	0	0	112.2	T154	P152-T154 PolarHBondContact O-N 3.06Å
153	L	28.9	Very low	39.8	Very low	184 Å²	184	122.6 Å²	122.6	96%	0.963	72%	0.722	S	S	*	*			trans	-80.4	98	168	-73.2	175.2	0	0	0	110
154	T	29.3	Very low	37.2	Very low	118 Å²	118	124.3 Å²	124.3	72%	0.724	73%	0.732	S	S	*	*			trans	-125.6	112.7	174.9	42.7	0	0	0	0	112.8	P152	P152-T154 PolarHBondContact O-N 3.06Å
155	N	28.8	Very low	34.8	Very low	177 Å²	177	130.4 Å²	130.4	95%	0.947	76%	0.758	S	S	*	*			trans	-164.8	114.2	162.5	-113.9	-11.9	0	0	0	106.6
156	G	27.6	Very low	32.9	Very low	64 Å²	64	132.9 Å²	132.9	66%	0.66	76%	0.763	S	S	*	*			cis	151.9	107.4	-8.3	0	0	0	0	0	111.4
157	N	27.9	Very low	31.7	Very low	172 Å²	172	133.6 Å²	133.6	92%	0.92	77%	0.767	S	S	*	*			trans	-172	153.3	159.5	-108.9	-29.5	0	0	0	114.5
158	A	27.4	Very low	30.8	Very low	91 Å²	91	128.1 Å²	128.1	75%	0.752	76%	0.76	S	S	*	*			trans	67.1	75.2	154.5	0	0	0	0	0	122
159	A	28.9	Very low	29.7	Very low	89 Å²	89	131.1 Å²	131.1	74%	0.736	78%	0.779	S	S	*	*				63.3	146.5	116.3	0	0	0	0	0	124.7
160	N	27.8	Very low	29.2	Very low	170 Å²	170	128.4 Å²	128.4	91%	0.909	78%	0.782	S	S	*	*			trans	71.3	134.2	165.2	-57	-17.2	0	0	0	118.3
161	G	25.8	Very low	29.1	Very low	64 Å²	64	127.7 Å²	127.7	66%	0.66	78%	0.778	S	S	*	*			cis	168.9	133.8	-12.7	0	0	0	0	0	116.5
162	T	28.6	Very low	29.1	Very low	135 Å²	135	130.8 Å²	130.8	83%	0.828	78%	0.775	S	S	*	*			trans	68.9	132.2	158.1	30.7	0	0	0	0	123.9
163	K	26.9	Very low	28.8	Very low	192 Å²	192	132.5 Å²	132.5	84%	0.835	78%	0.775	S	S	*	*			trans	75.3	153.1	146.2	-74.5	-172.8	172.8	-176.6	0	120.8
164	V	28.3	Very low	28.9	Very low	109 Å²	109	130.1 Å²	130.1	66%	0.661	76%	0.763	S	S	*	*			cis	-179.5	153	-34.5	120.4	0	0	0	0	111.2
165	Q	28.4	Very low	29	Very low	159 Å²	159	128.1 Å²	128.1	74%	0.743	77%	0.766	S	S	*	*			trans	66.1	161.8	166.1	-110.9	125.8	-2.7	0	0	117.9
166	Q	31.8	Very low	29.2	Very low	143 Å²	143	127.3 Å²	127.3	67%	0.668	76%	0.762	S	S	*	*			cis	-171.7	161.5	-37.5	-121.5	-177.5	-45.3	0	0	110.8
167	N	29	Very low	29.6	Very low	146 Å²	146	128.6 Å²	128.6	78%	0.781	76%	0.761	S	S	*	*			trans	63.1	164.2	156.8	-58.6	5	0	0	0	118.2
168	G	30.1	Very low	29.9	Very low	69 Å²	69	126.2 Å²	126.2	71%	0.711	76%	0.757	S	S	*	*			cis	170.9	155.8	-11	0	0	0	0	0	114.5
169	D	30.1	Very low	30.1	Very low	161 Å²	161	127.2 Å²	127.2	86%	0.861	76%	0.759	S	S	*	*			trans	34.5	111	156.2	-61.8	-29.5	0	0	0	125.3
170	A	30.8	Very low	30.1	Very low	91 Å²	91	128.2 Å²	128.2	75%	0.752	76%	0.76	S	S	*	*				72	171.9	109.5	0	0	0	0	0	125
171	I	28.8	Very low	30.3	Very low	150 Å²	150	125.2 Å²	125.2	77%	0.769	75%	0.753	S	S	*	*			trans	100.5	109.3	156.3	-59.4	177.2	0	0	0	120.3
172	H	29.7	Very low	30.8	Very low	159 Å²	159	126.9 Å²	126.9	74%	0.736	75%	0.754	S	S	*	*			trans	49	160.5	136.3	-77.5	-120.9	0	0	0	122.5
173	E	31	Very low	31	Very low	139 Å²	139	131.5 Å²	131.5	65%	0.65	76%	0.757	S	S	*	*			cis	-164.3	168.6	-18	-128.5	-176.9	137.2	0	0	111.7
174	N	30.1	Very low	31.2	Very low	134 Å²	134	127 Å²	127	72%	0.717	76%	0.755	S	S	*	*			trans	54.5	122.5	146.6	-64.8	-26.1	0	0	0	125.6
175	G	31.5	Very low	31.3	Very low	77 Å²	77	126.4 Å²	126.4	79%	0.794	76%	0.761	S	S	*	*				95.7	154.8	125.6	0	0	0	0	0	120.1
176	D	33.8	Very low	31.4	Very low	160 Å²	160	125.8 Å²	125.8	86%	0.856	76%	0.763	S	S	*	*			cis	-167.6	177.5	-18.2	-155	-6.9	0	0	0	111.7
177	S	34.3	Very low	31.3	Very low	91 Å²	91	123.9 Å²	123.9	64%	0.636	77%	0.765	S	S	*	*			trans	90.1	110.7	152.4	-65.7	0	0	0	0	123
178	S	34.2	Very low	31.4	Very low	121 Å²	121	122.6 Å²	122.6	85%	0.846	76%	0.763	S	S	*	*			trans	73.7	137	142.7	77.6	0	0	0	0	118.8
179	S	32.2	Very low	31.5	Very low	113 Å²	113	124.7 Å²	124.7	79%	0.79	76%	0.762	S	S	*	*			cis	-154.7	-170.2	6.9	56.8	0	0	0	0	109.6
180	S	30	Very low	31.5	Very low	109 Å²	109	124.5 Å²	124.5	76%	0.762	76%	0.761	S	S	*	*			cis	-160.4	-176.3	16.5	65.3	0	0	0	0	114.2
181	S	31.8	Very low	31.4	Very low	108 Å²	108	123 Å²	123	76%	0.755	75%	0.754	S	S	*	*			trans	-68.3	168.4	174.4	-60.1	0	0	0	0	115.2
182	S	35.3	Very low	31.5	Very low	98 Å²	98	122.6 Å²	122.6	69%	0.685	76%	0.759	S	S	*	*			cis	-179	151.1	-18.5	60.1	0	0	0	0	107.2
183	R	32.8	Very low	31.5	Very low	233 Å²	233	121.9 Å²	121.9	88%	0.879	76%	0.76	S	S	*	*				-179.1	137.4	70.5	-108.6	172.8	168.4	165.6	-4.8	107
184	A	32.1	Very low	31.5	Very low	98 Å²	98	122.8 Å²	122.8	81%	0.81	77%	0.769	S	S	*	*				63.2	138.5	89	0	0	0	0	0	115.3
185	A	30.3	Very low	31.4	Very low	95 Å²	95	120 Å²	120	79%	0.785	77%	0.772	S	S	*	*			cis	-150.7	160.6	3	0	0	0	0	0	109.2
186	N	30	Very low	31.3	Very low	147 Å²	147	124.9 Å²	124.9	79%	0.786	77%	0.774	S	S	*	*			cis	99.6	96.9	17.3	-164.1	54.3	0	0	0	116.6
187	S	29.9	Very low	31.1	Very low	102 Å²	102	127.8 Å²	127.8	71%	0.713	77%	0.773	S	S	*	*			trans	-176.4	125.7	155.4	51.7	0	0	0	0	109.8
188	T	30.6	Very low	30.9	Very low	119 Å²	119	129.2 Å²	129.2	73%	0.73	78%	0.783	S	S	*	*			cis	75.2	139.6	49.2	71.8	0	0	0	0	113.1
189	V	32.7	Very low	30.6	Very low	114 Å²	114	127 Å²	127	69%	0.691	78%	0.78	S	S	*	*			cis	-166.3	165.8	3.7	106.2	0	0	0	0	112.6
190	N	30.3	Very low	30.4	Very low	157 Å²	157	127 Å²	127	84%	0.84	78%	0.78	S	S	*	*			trans	63.9	157.6	167.9	-70.7	-7.4	0	0	0	119.4
191	G	28.3	Very low	30.2	Very low	58 Å²	58	126.6 Å²	126.6	60%	0.598	78%	0.776	S	S	*	*			cis	169.3	143	-11.6	0	0	0	0	0	115.7
192	T	30.5	Very low	30	Very low	143 Å²	143	127.1 Å²	127.1	88%	0.877	78%	0.779	S	S	*	*			trans	53.7	112.6	149.6	55.3	0	0	0	0	122.9
193	D	28.9	Very low	29.8	Very low	143 Å²	143	127 Å²	127	77%	0.765	79%	0.785	S	S	*	*				110	147	119.2	-134.7	14.1	0	0	0	123.5
194	L	31.8	Very low	29.7	Very low	158 Å²	158	121.5 Å²	121.5	83%	0.827	78%	0.782	S	S	*	*			trans	29.6	130.7	161.7	-74.3	163.9	0	0	0	123.3
195	G	27.6	Very low	29.8	Very low	77 Å²	77	122.3 Å²	122.3	79%	0.794	78%	0.782	S	S	*	*			trans	179.1	138.5	158.9	0	0	0	0	0	115.5
196	Q	29.7	Very low	29.8	Very low	178 Å²	178	121.1 Å²	121.1	83%	0.832	78%	0.779	S	S	*	*			trans	-120.4	162.7	176.2	-80.7	-167.2	-8.3	0	0	112.7
197	R	28.9	Very low	30	Very low	221 Å²	221	118.6 Å²	118.6	83%	0.834	78%	0.778	S	S	*	*			trans	72.3	121.2	155.6	-81.1	178.8	168.5	-169.4	-3.3	120.2
198	S	31	Very low	30.1	Very low	121 Å²	121	121.4 Å²	121.4	85%	0.846	79%	0.785	S	S	*	*				32.4	124.5	121.2	-44.5	0	0	0	0	121.1
199	G	27.9	Very low	30.1	Very low	76 Å²	76	118.7 Å²	118.7	78%	0.784	78%	0.78	S	S	*	*			trans	143.9	101.5	140.4	0	0	0	0	0	119.3
200	S	27.4	Very low	30.8	Very low	111 Å²	111	119.2 Å²	119.2	78%	0.776	79%	0.786	S	S	*	*			trans	47.6	116.4	134.7	-148.7	0	0	0	0	123.7
201	C	25.4	Very low	31.1	Very low	102 Å²	102	118 Å²	118	69%	0.689	79%	0.785	S	S	*	*			trans	61.3	146.5	132.1	78.4	0	0	0	0	124.8
202	S	29.2	Very low	32	Very low	118 Å²	118	121 Å²	121	83%	0.825	79%	0.793	S	S	*	*			trans	71	151.1	150.1	-60.5	0	0	0	0	118
203	A	30.4	Very low	32.2	Very low	97 Å²	97	119.7 Å²	119.7	80%	0.802	79%	0.79	S	S	*	*			cis	-157.5	-174.7	-18.8	0	0	0	0	0	106.4
204	S	31.4	Very low	32.5	Very low	116 Å²	116	118.4 Å²	118.4	81%	0.811	79%	0.792	S	S	*	*			cis	-157	-171.5	5.9	65.8	0	0	0	0	106.6
205	S	33.7	Very low	33.2	Very low	116 Å²	116	116.5 Å²	116.5	81%	0.811	79%	0.789	S	S	*	*			cis	-146.6	-151.9	-1.8	61.8	0	0	0	0	106.2
206	G	30.2	Very low	33.4	Very low	70 Å²	70	117 Å²	117	72%	0.722	79%	0.786	S	S	*	*			cis	154.8	140.1	0.2	0	0	0	0	0	108.6
207	A	34.5	Very low	33.5	Very low	94 Å²	94	115.2 Å²	115.2	78%	0.777	78%	0.781	S	S	*	*			cis	-131.7	-149.3	-6.3	0	0	0	0	0	107.9
208	D	31.7	Very low	33.4	Very low	161 Å²	161	112.4 Å²	112.4	86%	0.861	78%	0.783	S	S	*	*			cis	-161	179.8	3.5	-145.7	-52.5	0	0	0	109.6
209	G	30.5	Very low	33.5	Very low	61 Å²	61	113.7 Å²	113.7	63%	0.629	78%	0.775	S	S	*	*			trans	109.2	119.2	169.4	0	0	0	0	0	114.9
210	P	47.6	Very low	33.6	Very low	125 Å²	125	116.8 Å²	116.8	81%	0.812	78%	0.779	S	S	*	*			trans	-110.8	172.7	-161.7	41.1	-36.2	0	0	0	117.6
211	V	36.5	Very low	33.8	Very low	133 Å²	133	117.8 Å²	117.8	81%	0.806	78%	0.78	S	S	*	*			trans	-98.9	152	-179.7	173.4	0	0	0	0	111.9
212	P	46.8	Very low	33.9	Very low	120 Å²	120	117.5 Å²	117.5	78%	0.779	79%	0.785	S	S	*	*			trans	-109.9	156.1	158.6	37.3	-29.3	0	0	0	113.7
213	S	34.7	Very low	34	Very low	116 Å²	116	117.9 Å²	117.9	81%	0.811	78%	0.783	S	S	*	*			trans	-111	168.3	-179.1	-52.9	0	0	0	0	113.1
214	S	36.4	Very low	33.9	Very low	115 Å²	115	121.2 Å²	121.2	80%	0.804	79%	0.785	S	S	*	*			trans	-62.5	158.4	171.2	-43.5	0	0	0	0	112.6
215	P	45.7	Very low	33.8	Very low	118 Å²	118	123.1 Å²	123.1	77%	0.766	79%	0.786	S	S	*	*				-154.8	169	98.2	40.9	-24.5	0	0	0	117
216	A	31	Very low	33.5	Very low	88 Å²	88	121.3 Å²	121.3	73%	0.727	79%	0.786	S	S	*	*			trans	62.5	164.4	144	0	0	0	0	0	119.7
217	L	31.8	Very low	33.6	Very low	141 Å²	141	125.8 Å²	125.8	74%	0.738	79%	0.794	S	S	*	*			cis	-167.3	150.3	-38.1	-114.6	166	0	0	0	105.9
218	D	28.5	Very low	34	Very low	161 Å²	161	126.4 Å²	126.4	86%	0.861	79%	0.79	S	S	*	*			trans	-158.7	159	140.1	-134.8	-27.2	0	0	0	112.6
219	H	31.8	Very low	34.2	Very low	149 Å²	149	124.5 Å²	124.5	69%	0.69	78%	0.784	S	S	*	*			trans	-122.5	148.8	-173.3	-93.2	-82.3	0	0	0	112.9
220	T	30.5	Very low	34.9	Very low	141 Å²	141	126.7 Å²	126.7	87%	0.865	79%	0.787	S	S	*	*			trans	-148.9	148.9	138.3	-11.4	0	0	0	0	111.7
221	T	31.2	Very low	33.9	Very low	131 Å²	131	127.7 Å²	127.7	80%	0.804	79%	0.786	S	S	*	*			trans	-80.8	166.9	-173.5	44.6	0	0	0	0	112.4
222	A	28.8	Very low	33.6	Very low	96 Å²	96	126 Å²	126	79%	0.793	78%	0.78	S	S	*	*			cis	-152.3	-180	31.4	0	0	0	0	0	115.5
223	V	29.8	Very low	33.2	Very low	126 Å²	126	126.2 Å²	126.2	76%	0.764	78%	0.779	S	S	*	*			trans	-121.2	148.1	-176.2	170.6	0	0	0	0	109.7
224	I	29.3	Very low	33.7	Very low	167 Å²	167	126.5 Å²	126.5	86%	0.856	78%	0.778	S	S	*	*			trans	-170.6	153.7	141.5	-101	154	0	0	0	111.1
225	N	29.7	Very low	33.5	Very low	156 Å²	156	126.5 Å²	126.5	83%	0.834	77%	0.773	S	S	*	*			trans	-85	164.6	-171.9	-52.6	-39.3	0	0	0	113.9
226	G	26.7	Very low	32.7	Very low	79 Å²	79	130.2 Å²	130.2	81%	0.814	78%	0.78	S	S	*	*			trans	175.3	97	162.6	0	0	0	0	0	117.3
227	D	31.3	Very low	32.9	Very low	164 Å²	164	134.1 Å²	134.1	88%	0.877	78%	0.783	S	S	*	*			trans	-86	163	145.4	-108.6	-42.7	0	0	0	108.3
228	P	44.3	Very low	34.3	Very low	106 Å²	106	132 Å²	132	69%	0.688	78%	0.778	S	S	*	*			cis	-136.8	-162.7	8	41.1	-20.7	0	0	0	115.6
229	T	36.1	Very low	35.5	Very low	122 Å²	122	130.3 Å²	130.3	75%	0.748	78%	0.775	S	S	*	*			trans	-27	164.3	163.1	65.2	0	0	0	0	119
230	P	44.9	Very low	35.6	Very low	107 Å²	107	130.3 Å²	130.3	70%	0.695	78%	0.78	S	S	*	*			cis	-151.9	-172.1	24.5	44.1	-21.9	0	0	0	119.5
231	N	25.6	Very low	35.8	Very low	146 Å²	146	129.1 Å²	129.1	78%	0.781	78%	0.778	S	S	*	*			trans	55	117	145.6	-74.6	2.9	0	0	0	126.5
232	S	30.6	Very low	35.7	Very low	97 Å²	97	126.2 Å²	126.2	68%	0.678	77%	0.774	S	S	*	*				68.6	118.4	115.1	-49.6	0	0	0	0	126.1
233	T	38.9	Very low	36.9	Very low	124 Å²	124	127 Å²	127	76%	0.761	77%	0.771	S	S	*	*			trans	38.3	137.6	135.5	54.1	0	0	0	0	123.2
234	P	43.8	Very low	37.1	Very low	122 Å²	122	128.1 Å²	128.1	79%	0.792	77%	0.773	S	S	*	*				-139.6	148.8	86.8	26.6	-6.6	0	0	0	114.4
235	V	33.4	Very low	37.2	Very low	115 Å²	115	126 Å²	126	70%	0.697	77%	0.768	S	S	*	*				75	120.5	61.5	178.1	0	0	0	0	115.7
236	H	29.6	Very low	37.2	Very low	196 Å²	196	130.1 Å²	130.1	91%	0.907	77%	0.772	S	S	*	*			trans	-148.9	167.2	142.4	-121.8	-86.4	0	0	0	111
237	Q	34.5	Very low	37.5	Very low	171 Å²	171	134.5 Å²	134.5	80%	0.799	77%	0.773	S	S	*	*			trans	-129.8	-167.3	-149.9	-124.4	-161.3	-21.9	0	0	114.7
238	P	61.3	Low	37.3	Very low	97 Å²	97	133.5 Å²	133.5	63%	0.63	77%	0.773	S	S	*	*			trans	-108.3	-166.8	-142.8	46.1	-30.7	0	0	0	113.5
239	P	53.8	Low	36.8	Very low	124 Å²	124	136.1 Å²	136.1	81%	0.805	78%	0.781	S	S	*	*				-139.5	-174.2	75.8	22.2	2.1	0	0	0	113.4
240	D	34	Very low	36.4	Very low	149 Å²	149	133.8 Å²	133.8	80%	0.797	78%	0.781	S	S	*	*			cis	-172	172.3	-36.8	-173.4	20.3	0	0	0	108.2
241	S	33.9	Very low	35.5	Very low	116 Å²	116	137.7 Å²	137.7	81%	0.811	79%	0.79	S	S	*	*			trans	79.2	139.5	171.5	75.2	0	0	0	0	120.6
242	G	28.2	Very low	35.8	Very low	71 Å²	71	135.9 Å²	135.9	73%	0.732	79%	0.789	S	S	*	*			trans	-128.9	-136.9	170.2	0	0	0	0	0	110.1
243	P	55.6	Low	35.9	Very low	112 Å²	112	136.6 Å²	136.6	73%	0.727	79%	0.794	S	S	*	*			cis	-143.3	-176	-8.3	43	-24	0	0	0	115.6
244	D	34.4	Very low	35.5	Very low	150 Å²	150	139.2 Å²	139.2	80%	0.802	80%	0.797	S	S	*	*			trans	64.2	159.5	139.9	-81.1	-41.6	0	0	0	126.8
245	T	30.6	Very low	34.9	Very low	122 Å²	122	139.1 Å²	139.1	75%	0.748	80%	0.795	S	S	*	*			trans	-64.5	161.1	-176.2	63	0	0	0	0	117.3
246	R	28.9	Very low	34.8	Very low	243 Å²	243	139.8 Å²	139.8	92%	0.917	80%	0.798	S	S	*	*				179.8	169.6	99.6	-155.6	157.1	-178.3	164.3	-0	113.2
247	M	32.7	Very low	36.6	Very low	171 Å²	171	136 Å²	136	84%	0.842	79%	0.791	S	S	*	*			trans	-97.5	163.5	-177.4	-46.1	169.2	76.6	0	0	113.5
248	V	28.8	Very low	36.3	Very low	143 Å²	143	138.4 Å²	138.4	87%	0.867	79%	0.793	S	S	*	*				179.3	158.9	126.8	146.2	0	0	0	0	112.1
249	N	33.1	Very low	34.8	Very low	161 Å²	161	141.2 Å²	141.2	86%	0.861	80%	0.798	S	S	*	*			trans	-75.2	161.4	-173.2	-58.7	-18.8	0	0	0	116
250	G	26.9	Very low	33.5	Very low	72 Å²	72	139.7 Å²	139.7	74%	0.742	79%	0.79	S	S	*	*			trans	-177.3	122.2	158.3	0	0	0	0	0	116.4
251	E	27.6	Very low	33.2	Very low	189 Å²	189	137.9 Å²	137.9	88%	0.883	79%	0.789	S	S	*	*			trans	60.3	101.4	148.7	-55	-169.9	106.4	0	0	123.7
252	S	31.5	Very low	32.9	Very low	109 Å²	109	137.4 Å²	137.4	76%	0.762	79%	0.792	S	S	*	*				44.9	136.7	110.8	-50.2	0	0	0	0	125.2
253	S	32.7	Very low	32.9	Very low	112 Å²	112	138.9 Å²	138.9	78%	0.783	79%	0.791	S	S	*	*			trans	71.8	153	149.8	-63.6	0	0	0	0	119
254	E	30.8	Very low	31.6	Very low	178 Å²	178	144.4 Å²	144.4	83%	0.832	80%	0.798	S	S	*	*			cis	-146.7	-176	1.9	-137.4	176.1	-165.3	0	0	114.2
255	T	29.6	Very low	31.2	Very low	121 Å²	121	144.5 Å²	144.5	74%	0.742	79%	0.791	S	S	*	*			trans	-80	175.2	-173.3	52.2	0	0	0	0	113.4
256	V	32.2	Very low	30.9	Very low	128 Å²	128	145.4 Å²	145.4	78%	0.776	79%	0.787	S	S	*	*				-167.4	153.6	55	172.8	0	0	0	0	110.6
257	P	67.5	Low	30.7	Very low	116 Å²	116	140.3 Å²	140.3	75%	0.753	78%	0.783	S	S	*	*			trans	-108.9	169.8	-176.4	41	-35.7	0	0	0	117.1
258	R	28.1	Very low	30.4	Very low	223 Å²	223	140.6 Å²	140.6	84%	0.842	78%	0.782	S	S	*	*			trans	-153.6	138.4	163.6	-95.2	-162.9	176.7	-170.6	-3	111
259	Q	29.3	Very low	31.3	Very low	155 Å²	155	139.3 Å²	139.3	72%	0.724	78%	0.777	S	S	*	*				64.3	142.3	78.9	-70.1	-175.7	-29.9	0	0	115
260	S	27.7	Very low	31	Very low	92 Å²	92	136.8 Å²	136.8	64%	0.643	77%	0.772	S	S	*	*			cis	-172.6	167.2	-11.5	53.2	0	0	0	0	112.2
261	S	26.5	Very low	31.1	Very low	112 Å²	112	138.2 Å²	138.2	78%	0.783	78%	0.776	S	S	*	*			trans	51.4	123.6	144.4	61.2	0	0	0	0	121.5
262	A	28.4	Very low	31.2	Very low	105 Å²	105	132.3 Å²	132.3	87%	0.868	77%	0.767	S	S	*	*			trans	-115.3	138.6	161.8	0	0	0	0	0	111.2
263	S	27.6	Very low	31.2	Very low	103 Å²	103	135.8 Å²	135.8	72%	0.72	77%	0.771	S	S	*	*			trans	-163.6	124.3	171.4	-161.9	0	0	0	0	113.8
264	R	28.1	Very low	31.2	Very low	227 Å²	227	135.9 Å²	135.9	86%	0.857	76%	0.763	S	S	*	*			trans	67.4	161.1	162.5	-66.4	175	173.5	-171.7	-5.3	115.3
265	K	26	Very low	31.4	Very low	153 Å²	153	135.5 Å²	135.5	67%	0.665	76%	0.761	S	S	*	*			cis	-155.2	151	24.5	-151.9	169.7	-168.3	-65.9	0	112.2
266	E	25.5	Very low	31.5	Very low	140 Å²	140	138 Å²	138	65%	0.654	76%	0.764	S	S	*	*			trans	28.8	144.5	151.4	-71.2	142	-130.6	0	0	121.7
267	T	24.7	Very low	31.3	Very low	137 Å²	137	137.3 Å²	137.3	84%	0.84	77%	0.765	S	S	*	*				-162.6	155.5	69.5	-55	0	0	0	0	114.6
268	Q	25.7	Very low	29.7	Very low	176 Å²	176	136 Å²	136	82%	0.822	76%	0.758	S	S	*	*			trans	-63.9	-174.5	170.8	-94.3	-179.9	-34.3	0	0	115.5
269	P	47.3	Very low	30.1	Very low	116 Å²	116	132.8 Å²	132.8	75%	0.753	75%	0.752	S	S	*	*			cis	-123.5	-150.1	1.1	36.6	-14.4	0	0	0	111.6
270	S	27.6	Very low	30.2	Very low	108 Å²	108	132.4 Å²	132.4	76%	0.755	76%	0.755	S	S	*	*			cis	-163.4	163.1	-0.4	-149.4	0	0	0	0	112.6
271	A	29.6	Very low	30.3	Very low	102 Å²	102	132.5 Å²	132.5	84%	0.843	76%	0.762	S	S	*	*			trans	55.2	153	157.9	0	0	0	0	0	120.7
272	G	28.8	Very low	30.5	Very low	66 Å²	66	131.6 Å²	131.6	68%	0.68	76%	0.761	S	S	*	*			cis	157.5	137.5	-11.9	0	0	0	0	0	114
273	E	32	Very low	32.1	Very low	181 Å²	181	131.8 Å²	131.8	85%	0.846	75%	0.754	S	S	*	*			trans	66.8	150.1	159.6	-60	175.3	-169.7	0	0	117.8
274	N	32.6	Very low	33.7	Very low	115 Å²	115	132 Å²	132	62%	0.615	75%	0.753	S	S	*	*			cis	-159	150.8	-8.9	-108.1	2.7	0	0	0	112.8
275	E	35.2	Very low	34.1	Very low	170 Å²	170	128.2 Å²	128.2	79%	0.794	75%	0.749	S	S	*	*			trans	54.7	167.1	141.4	-58.9	-177.7	132.6	0	0	120.9
276	E	31.4	Very low	34.5	Very low	174 Å²	174	125.3 Å²	125.3	81%	0.813	75%	0.754	S	S	*	*			cis	-157.6	169.1	19.3	-154.9	-170.9	166	0	0	114.2
277	S	28.4	Very low	34.9	Very low	112 Å²	112	127.6 Å²	127.6	78%	0.783	77%	0.765	S	S	*	*			trans	91.3	161.9	154.6	79.7	0	0	0	0	121.5
278	S	33.3	Very low	35.1	Very low	89 Å²	89	127.1 Å²	127.1	62%	0.622	76%	0.762	S	S	*	*				-158.1	-173.2	-121.5	51.6	0	0	0	0	116.9
279	H	35.9	Very low	35.5	Very low	155 Å²	155	124 Å²	124	72%	0.718	76%	0.759	S	S	*	*			trans	85.8	118.2	172.2	-58.2	-58.6	0	0	0	116.1
280	D	31.5	Very low	35.7	Very low	147 Å²	147	124.1 Å²	124.1	79%	0.786	76%	0.76	S	S	*	*				98.8	142.7	58.5	-82.5	-48.9	0	0	0	111.3
281	A	30.6	Very low	35.8	Very low	95 Å²	95	123.4 Å²	123.4	79%	0.785	76%	0.76	S	S	*	*			cis	-145.1	177.3	8.9	0	0	0	0	0	112.9
282	A	31.1	Very low	35.8	Very low	93 Å²	93	123.7 Å²	123.7	77%	0.769	76%	0.757	S	S	*	*			trans	-116.4	-152	175.9	0	0	0	0	0	109.9
283	P	62	Low	35.9	Very low	108 Å²	108	127.1 Å²	127.1	70%	0.701	76%	0.764	S	S	*	*			cis	-122.4	-141	-20.8	42.5	-23.5	0	0	0	108.2
284	P	61.1	Low	35.8	Very low	108 Å²	108	123.5 Å²	123.5	70%	0.701	76%	0.759	S	S	*	*			cis	-125.8	-157.6	-15.5	31.1	-7.7	0	0	0	112.3
285	D	36.3	Very low	35.7	Very low	147 Å²	147	129.3 Å²	129.3	79%	0.786	77%	0.772	S	S	*	*				-161.5	170.7	-58.4	-75.7	-29.5	0	0	0	104.8
286	A	33.4	Very low	36.3	Very low	92 Å²	92	125.6 Å²	125.6	76%	0.76	76%	0.763	S	S	*	*			cis	-140.5	-157.3	6.3	0	0	0	0	0	107.4
287	E	33.3	Very low	36.5	Very low	189 Å²	189	123.1 Å²	123.1	88%	0.883	76%	0.762	S	S	*	*			cis	-132.6	-154	4.7	-64.7	-174.9	95.5	0	0	110.1
288	T	30.1	Very low	37.1	Very low	127 Å²	127	123.8 Å²	123.8	78%	0.779	76%	0.763	S	S	*	*			trans	-138.7	131.2	-164.2	39.7	0	0	0	0	116.5
289	S	33.8	Very low	37.3	Very low	109 Å²	109	124 Å²	124	76%	0.762	77%	0.771	S	S	*	*				33.7	153.1	115.3	-63.7	0	0	0	0	121.3
290	P	50.7	Low	37.5	Very low	120 Å²	120	122.6 Å²	122.6	78%	0.779	78%	0.776	S	S	*	*			cis	-151	158.4	35.9	41.3	-19.9	0	0	0	121.5
291	A	30.8	Very low	37.3	Very low	92 Å²	92	122.5 Å²	122.5	76%	0.76	78%	0.78	S	S	*	*			trans	33.5	139.8	139.2	0	0	0	0	0	124.9
292	S	29.9	Very low	37.4	Very low	109 Å²	109	124.6 Å²	124.6	76%	0.762	78%	0.784	S	S	*	*				178.6	114.4	116.1	-79.4	0	0	0	0	117.2
293	T	29.5	Very low	37.3	Very low	138 Å²	138	126 Å²	126	85%	0.847	79%	0.788	S	S	*	*			trans	59.6	-174.7	140.2	-22	0	0	0	0	120.3
294	S	30.9	Very low	35.8	Very low	104 Å²	104	126.7 Å²	126.7	73%	0.727	80%	0.795	S	S	*	*			trans	-148.7	153.5	-144.2	59.8	0	0	0	0	118.7
295	R	29.9	Very low	34.3	Very low	237 Å²	237	126.1 Å²	126.1	89%	0.894	80%	0.8	S	S	*	*			trans	73.8	171	159.8	-127.6	-158.1	168	-142	-2.5	116.6
296	P	47.7	Very low	34	Very low	92 Å²	92	125.1 Å²	125.1	60%	0.597	80%	0.804	S	S	*	*				-124.8	171.6	-96.4	42.3	-28.7	0	0	0	116
297	P	35.5	Very low	33.9	Very low	123 Å²	123	126.1 Å²	126.1	80%	0.799	81%	0.805	S	S	*	*			trans	-108.9	168.6	164.3	29	-12.7	0	0	0	114.6
298	P	41	Very low	34.5	Very low	125 Å²	125	123.1 Å²	123.1	81%	0.812	80%	0.803	S	S	*	*			trans	-105.5	-177.4	-168.4	41.6	-36.8	0	0	0	115.5
299	A	38.1	Very low	34.5	Very low	95 Å²	95	121.7 Å²	121.7	79%	0.785	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-76.8	151	174	0	0	0	0	0	113.7
300	P	40.1	Very low	34.2	Very low	125 Å²	125	121.5 Å²	121.5	81%	0.812	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-101	153.2	173	37.3	-32.3	0	0	0	113.9
301	T	28.3	Very low	33.3	Very low	144 Å²	144	125.6 Å²	125.6	88%	0.883	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-101	172.7	171.4	44.7	0	0	0	0	112.4
302	T	32.1	Very low	34.3	Very low	140 Å²	140	126.9 Å²	126.9	86%	0.859	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-69.4	145.4	-176.7	52.3	0	0	0	0	115.2
303	S	29.3	Very low	34.2	Very low	123 Å²	123	125.4 Å²	125.4	86%	0.86	81%	0.809	S	S	*	*			trans	-150.4	166.9	149.3	66.7	0	0	0	0	110.7
304	S	30	Very low	34.4	Very low	122 Å²	122	126.8 Å²	126.8	85%	0.853	81%	0.812	S	S	*	*			trans	-152.9	153.1	-164.6	57.2	0	0	0	0	113.4
305	A	30.4	Very low	34.3	Very low	96 Å²	96	125.5 Å²	125.5	79%	0.793	82%	0.815	S	S	*	*			trans	-171.8	117.8	155.9	0	0	0	0	0	113.6
306	S	28.6	Very low	34.4	Very low	125 Å²	125	118.8 Å²	118.8	87%	0.874	81%	0.81	S	S	*	*				165.9	142.9	118.8	48.3	0	0	0	0	112.7
307	S	31.4	Very low	33.6	Very low	113 Å²	113	119.2 Å²	119.2	79%	0.79	82%	0.821	S	S	*	*			trans	-133.2	164.1	177.9	-47.9	0	0	0	0	108.5
308	P	47.1	Very low	33.4	Very low	127 Å²	127	119.1 Å²	119.1	83%	0.825	82%	0.823	S	S	*	*				-137.3	162.8	78	19.9	2.7	0	0	0	113.3
309	A	30.3	Very low	33	Very low	96 Å²	96	118.9 Å²	118.9	79%	0.793	82%	0.824	S	S	*	*			cis	120.8	105.9	7.2	0	0	0	0	0	112.3
310	A	27.4	Very low	32.7	Very low	106 Å²	106	120.1 Å²	120.1	88%	0.876	83%	0.828	S	S	*	*			trans	-158	127	162.6	0	0	0	0	0	112
311	K	31.5	Very low	32.4	Very low	205 Å²	205	119.6 Å²	119.6	89%	0.891	83%	0.827	S	S	*	*			trans	-165.2	155.6	170.8	-128.1	-177.7	-177.7	179.2	0	106.8
312	P	50.6	Low	32.6	Very low	120 Å²	120	119.9 Å²	119.9	78%	0.779	83%	0.828	S	S	*	*				-144.2	-162.6	71.8	39.8	-18.2	0	0	0	111.4
313	A	29.6	Very low	32.6	Very low	78 Å²	78	117.6 Å²	117.6	65%	0.645	82%	0.823	S	S	*	*			cis	-152.4	153.2	10.8	0	0	0	0	0	114.2
314	N	33.2	Very low	32.6	Very low	167 Å²	167	116.3 Å²	116.3	89%	0.893	82%	0.82	S	S	*	*			trans	34.9	142.1	137.3	-50.8	-5.1	0	0	0	120.9
315	G	28.2	Very low	32.5	Very low	77 Å²	77	115.5 Å²	115.5	79%	0.794	82%	0.821	S	S	*	*			cis	173.2	-165.8	3.4	0	0	0	0	0	108.7
316	A	31.5	Very low	32.4	Very low	96 Å²	96	116 Å²	116	79%	0.793	83%	0.825	S	S	*	*			cis	-172.6	130.7	-26.7	0	0	0	0	0	109
317	A	32.5	Very low	32.5	Very low	101 Å²	101	115.2 Å²	115.2	84%	0.835	82%	0.82	S	S	*	*			trans	61.1	168.9	172.7	0	0	0	0	0	116.2
318	S	31.3	Very low	32.4	Very low	120 Å²	120	116.1 Å²	116.1	84%	0.839	82%	0.82	S	S	*	*			cis	-142.8	165.4	9.2	-62.6	0	0	0	0	112.3
319	S	32.6	Very low	31.5	Very low	120 Å²	120	116.2 Å²	116.2	84%	0.839	82%	0.819	S	S	*	*			trans	-93.7	144.4	174.5	55.3	0	0	0	0	113.9
320	S	31.3	Very low	31.5	Very low	122 Å²	122	117 Å²	117	85%	0.853	82%	0.819	S	S	*	*			trans	-158.3	158.1	150.9	62.6	0	0	0	0	111.7
321	S	34.2	Very low	31.5	Very low	114 Å²	114	117 Å²	117	80%	0.797	82%	0.818	S	S	*	*			trans	-134.8	126.5	-176.9	56.9	0	0	0	0	111
322	V	32.2	Very low	31.4	Very low	150 Å²	150	113 Å²	113	91%	0.909	82%	0.817	S	S	*	*			trans	-142.9	153	168	-163.2	0	0	0	0	108.3
323	A	30.6	Very low	30.6	Very low	92 Å²	92	111.3 Å²	111.3	76%	0.76	81%	0.812	S	S	*	*			trans	-124.2	171	-175.7	0	0	0	0	0	112.8
324	A	29.4	Very low	30.5	Very low	96 Å²	96	113.5 Å²	113.5	79%	0.793	82%	0.818	S	S	*	*			trans	78.1	114.5	159.6	0	0	0	0	0	120.3
325	A	29.1	Very low	30.5	Very low	105 Å²	105	114.9 Å²	114.9	87%	0.868	82%	0.819	S	S	*	*				62.2	119.6	127.1	0	0	0	0	0	121.9
326	A	27.6	Very low	30.4	Very low	105 Å²	105	115.2 Å²	115.2	87%	0.868	82%	0.822	S	S	*	*			trans	-145	141.7	138.7	0	0	0	0	0	109.3
327	S	30.3	Very low	30.2	Very low	110 Å²	110	115.2 Å²	115.2	77%	0.769	82%	0.822	S	S	*	*			trans	-142.7	124	-177.1	57.2	0	0	0	0	111.7
328	T	28.8	Very low	30.7	Very low	131 Å²	131	115.9 Å²	115.9	80%	0.804	82%	0.818	S	S	*	*			trans	-175.4	147.4	174.1	23.3	0	0	0	0	108.7
329	T	29.4	Very low	30.5	Very low	130 Å²	130	115.7 Å²	115.7	80%	0.798	81%	0.812	S	S	*	*			cis	-154.6	166.7	-23.3	-5.2	0	0	0	0	109.5
330	S	30.4	Very low	30.2	Very low	113 Å²	113	116.6 Å²	116.6	79%	0.79	81%	0.806	S	S	*	*			trans	-77.1	163.6	176.4	45.6	0	0	0	0	114.5
331	A	27.6	Very low	30	Very low	105 Å²	105	116.6 Å²	116.6	87%	0.868	80%	0.801	S	S	*	*			trans	-129.6	154.2	155.9	0	0	0	0	0	108.8
332	S	29.6	Very low	29.6	Very low	122 Å²	122	117 Å²	117	85%	0.853	80%	0.798	S	S	*	*			trans	-157.8	-179.5	-172.7	-168.4	0	0	0	0	111.5
333	A	32.8	Very low	29.5	Very low	84 Å²	84	114.9 Å²	114.9	69%	0.694	79%	0.791	S	S	*	*			trans	77.2	145.1	-178	0	0	0	0	0	115.1
334	T	28.9	Very low	29.3	Very low	124 Å²	124	115.5 Å²	115.5	76%	0.761	79%	0.79	S	S	*	*			cis	-158.6	157.5	-7.5	5.9	0	0	0	0	112.1
335	Q	33.2	Very low	29.3	Very low	196 Å²	196	115.7 Å²	115.7	92%	0.916	79%	0.785	S	S	*	*			trans	13.7	134.6	155.3	-61.7	-179.3	4.6	0	0	121.6
336	G	25.3	Very low	29.3	Very low	83 Å²	83	115 Å²	115	86%	0.856	77%	0.773	S	S	*	*			trans	-179	111.8	160.8	0	0	0	0	0	114.9
337	A	28.1	Very low	29.4	Very low	96 Å²	96	115.4 Å²	115.4	79%	0.793	77%	0.77	S	S	*	*			trans	-107.4	169	161.6	0	0	0	0	0	107.7
338	P	42.4	Very low	29.3	Very low	116 Å²	116	116 Å²	116	75%	0.753	77%	0.774	S	S	*	*			cis	-153.9	-166	30.8	42.8	-19.1	0	0	0	118.1
339	T	26.3	Very low	29.3	Very low	115 Å²	115	115.4 Å²	115.4	71%	0.706	78%	0.775	S	S	*	*			trans	79.5	100.7	146	-54.9	0	0	0	0	122.2
340	I	27.3	Very low	29.5	Very low	139 Å²	139	115.4 Å²	115.4	71%	0.713	78%	0.778	S	S	*	*				37.2	121.2	122.8	-51.1	166.6	0	0	0	120.5
341	T	25.9	Very low	29.2	Very low	123 Å²	123	114.5 Å²	114.5	76%	0.755	78%	0.777	S	S	*	*				-169.7	111.3	120	28.8	0	0	0	0	109.2
342	T	26.5	Very low	30.2	Very low	121 Å²	121	115.8 Å²	115.8	74%	0.742	78%	0.777	S	S	*	*				48.7	114.9	99.4	62.1	0	0	0	0	114.1
343	S	29.2	Very low	30	Very low	106 Å²	106	113.6 Å²	113.6	74%	0.741	77%	0.773	S	S	*	*				-154.5	144.4	62.9	31.4	0	0	0	0	110.9
344	S	28.2	Very low	29.8	Very low	106 Å²	106	119.1 Å²	119.1	74%	0.741	79%	0.785	S	S	*	*				65.5	130.7	57.5	77.7	0	0	0	0	114.6
345	S	29	Very low	29.8	Very low	99 Å²	99	118.1 Å²	118.1	69%	0.692	79%	0.789	S	S	*	*			cis	-172.5	-178.8	-5.4	50.3	0	0	0	0	110.7
346	S	28.2	Very low	29.4	Very low	90 Å²	90	112.4 Å²	112.4	63%	0.629	78%	0.783	S	S	*	*			trans	51.8	110.7	146.4	54.8	0	0	0	0	119.4
347	S	30.7	Very low	29.5	Very low	114 Å²	114	112.8 Å²	112.8	80%	0.797	78%	0.778	S	S	*	*				66.7	117.2	61.6	80.9	0	0	0	0	115.7
348	S	27.1	Very low	29.5	Very low	122 Å²	122	114.3 Å²	114.3	85%	0.853	78%	0.783	S	S	*	*			trans	-163.8	118.8	155.7	49.3	0	0	0	0	111.6
349	S	30.1	Very low	28.7	Very low	119 Å²	119	112.7 Å²	112.7	83%	0.832	79%	0.787	S	S	*	*			trans	-87.1	162.6	163.5	-48.4	0	0	0	0	110.4
350	P	32.5	Very low	28.7	Very low	130 Å²	130	112.4 Å²	112.4	84%	0.844	80%	0.796	S	S	*	*			trans	-129.3	154	140.9	37.2	-28.7	0	0	0	113.4
351	A	25.4	Very low	28.6	Very low	94 Å²	94	109.4 Å²	109.4	78%	0.777	80%	0.8	S	S	*	*			trans	-160.7	174.8	171.6	0	0	0	0	0	107.2
352	P	47.2	Very low	28.6	Very low	133 Å²	133	109.1 Å²	109.1	86%	0.864	80%	0.803	S	S	*	*			cis	-124.1	-175.4	-8.5	39.4	-23.8	0	0	0	113
353	G	25.9	Very low	28.5	Very low	76 Å²	76	108.8 Å²	108.8	78%	0.784	80%	0.797	S	S	*	*			trans	-176.1	113.1	171.3	0	0	0	0	0	114.1
354	E	29	Very low	28.4	Very low	199 Å²	199	109.3 Å²	109.3	93%	0.93	80%	0.8	S	S	*	*			trans	-47.1	159.3	178.3	-69.9	174.9	150.9	0	0	116.7
355	A	27.5	Very low	28.1	Very low	104 Å²	104	106.6 Å²	106.6	86%	0.86	78%	0.781	S	S	*	*			cis	-168.6	173	-9.5	0	0	0	0	0	109.7
356	G	26.3	Very low	27.9	Very low	75 Å²	75	107.5 Å²	107.5	77%	0.773	79%	0.787	S	S	*	*			trans	146.4	87.1	161	0	0	0	0	0	119
357	A	27.3	Very low	28.1	Very low	92 Å²	92	107.2 Å²	107.2	76%	0.76	78%	0.782	S	S	*	*			trans	24.3	124.1	149.4	0	0	0	0	0	123.1
358	S	26.8	Very low	28	Very low	127 Å²	127	107.9 Å²	107.9	89%	0.888	78%	0.781	S	S	*	*				57.8	117.3	126.6	-52.7	0	0	0	0	122
359	G	26.2	Very low	28.6	Very low	82 Å²	82	106 Å²	106	85%	0.845	77%	0.765	S	S	*	*			trans	-165.9	133.9	161.1	0	0	0	0	0	112.8
360	A	25.8	Very low	28.8	Very low	109 Å²	109	106.7 Å²	106.7	90%	0.901	76%	0.76	S	S	*	*			trans	-76.6	145.3	177.2	0	0	0	0	0	111.6
361	G	25.3	Very low	29.5	Very low	77 Å²	77	102.9 Å²	102.9	79%	0.794	74%	0.743	S	S	*	*			trans	-84.6	168	179.7	0	0	0	0	0	114.1
362	S	27.2	Very low	29.7	Very low	116 Å²	116	104.3 Å²	104.3	81%	0.811	74%	0.742	S	S	*	*			trans	-158.1	123.5	160.6	41.7	0	0	0	0	111.1
363	N	23.6	Very low	29	Very low	115 Å²	115	107.3 Å²	107.3	62%	0.615	74%	0.742	S	S	*	*			trans	-81.2	119	169.6	-114.1	-12.5	0	0	0	108.3
364	S	26	Very low	29.1	Very low	117 Å²	117	108.3 Å²	108.3	82%	0.818	73%	0.734	S	S	*	*			trans	-120.7	114.6	172.8	59.7	0	0	0	0	111.2
365	S	23.5	Very low	28.9	Very low	48 Å²	48	105.9 Å²	105.9	34%	0.336	72%	0.717	S	S	.	*			trans	-119.1	111.4	171.2	57.1	0	0	0	0	108.7	T367 M450	S365-T367 PolarHBondContact O-N 3.43Å; S365-M450 WeakPolarHBondContact OG-CB 3.25Å
366	S	24.7	Very low	28.8	Very low	118 Å²	118	105.4 Å²	105.4	83%	0.825	70%	0.697	S	S	*	*			trans	-85.7	105.4	-176.9	53.4	0	0	0	0	112
367	T	32.5	Very low	29	Very low	85 Å²	85	105 Å²	105	52%	0.521	68%	0.675	S	S	.	*			trans	-89	122.3	158.1	-63.2	0	0	0	0	109	S365 Q417	S365-T367 PolarHBondContact O-N 3.43Å; T367-Q417 PolarHBondContact OG1-NE2 3.17Å
368	T	27.7	Very low	29.1	Very low	127 Å²	127	104.8 Å²	104.8	78%	0.779	66%	0.664	S	S	*	*			trans	-145.5	115.1	158.8	50.5	0	0	0	0	110.9
369	T	39.3	Very low	29.1	Very low	82 Å²	82	102.1 Å²	102.1	50%	0.503	65%	0.645	S	S	.	*			trans	-94.4	152	156.6	39.2	0	0	0	0	109.2
370	D	35.5	Very low	29.5	Very low	135 Å²	135	105.7 Å²	105.7	72%	0.722	65%	0.645	S	S	*	*			trans	-169.4	167.3	147.6	-118.7	-24.9	0	0	0	111	R52 Q377	R52-D370 IonicContact NH1-OD2 3.7Å; D370-Q377 PolarHBondContact O-NE2 2.92Å; D370-Q377 VanDerWaalsContact O-NE2 3.11Å
371	G	47.3	Very low	29.9	Very low	49 Å²	49	104 Å²	104	51%	0.505	63%	0.631	S	S	.	*			trans	-166.3	-174.5	-169.5	0	0	0	0	0	118.8	Q377	G371-Q377 VanDerWaalsContact CA-NE2 3.34Å
372	V	28.6	Very low	30.4	Very low	125 Å²	125	105.7 Å²	105.7	76%	0.758	63%	0.628	S	S	*	*			trans	-142.9	149.6	-177.3	-175	0	0	0	0	111
373	K	33.8	Very low	30.9	Very low	196 Å²	196	105.7 Å²	105.7	85%	0.852	64%	0.635	S	S	*	*			trans	-105.6	164.2	-172.3	-71.9	176.2	177	173.8	0	113.7
374	P	27.4	Very low	32	Very low	96 Å²	96	103.2 Å²	103.2	62%	0.623	64%	0.636	S	S	*	*	S	Bend	cis	-114.4	9.3	-9.7	41.1	-31.6	0	0	0	112.9	R400	P374-R400 VanDerWaalsContact O-CD 3.26Å; P374-R400 WeakPolarHBondContact O-CD 3.33Å
375	R	25.5	Very low	33.5	Very low	149 Å²	149	102.6 Å²	102.6	56%	0.562	62%	0.624	S	S	*	*	S	Bend	trans	-135	132.9	-174.2	-130.2	-168	163.3	127.2	-0.1	110	P397 H398	R375-P397 PolarHBondContact NH2-O 3.22Å; R375-P397 VanDerWaalsContact NH2-O 3.12Å; R375-H398 HydrophobicContact CG-CB 3.64Å; R375-H398 WeakPolarHBondContact CG-O 3.32Å; R375-H398 PolarHBondContact NE-O 2.83Å; R375-H398 PolarHBondContact NH1-CD2 3.37Å
376	Q	25.4	Very low	35.7	Very low	93 Å²	93	106 Å²	106	44%	0.435	64%	0.644	S	S	.	*			trans	45.2	80.5	177.1	-45.6	-136.4	21.7	0	0	115.2	V378 H398 G399	Q376-V378 HydrophobicContact CB-CG2 3.91Å; Q376-V378 PolarHBondContact O-N 3.19Å; Q376-H398 WeakPolarHBondContact CG-O 3.46Å; Q376-H398 PolarHBondContact NE2-O 3.05Å; Q376-G399 VanDerWaalsContact CD-CA 3.46Å; Q376-G399 VanDerWaalsContact CG-C 3.48Å; Q376-G399 WeakPolarHBondContact CG-O 3.06Å; Q376-G399 PolarHBondContact OE1-O 3.32Å
377	Q	30.1	Very low	38.2	Very low	68 Å²	68	102.7 Å²	102.7	32%	0.318	62%	0.617	S	S	.	*			trans	-68.4	84.3	162.2	-173.6	174.8	-5	0	0	109	D370 G371 S379	D370-Q377 PolarHBondContact O-NE2 2.92Å; D370-Q377 VanDerWaalsContact O-NE2 3.11Å; G371-Q377 VanDerWaalsContact CA-NE2 3.34Å; Q377-S379 PolarHBondContact O-N 2.8Å; Q377-S379 VanDerWaalsContact O-N 3.09Å
378	V	28.5	Very low	40.3	Very low	87 Å²	87	99.6 Å²	99.6	53%	0.527	60%	0.599	S	S	.	*			trans	-83.6	71.7	175.2	-171.4	0	0	0	0	108.6	Q376 N380	Q376-V378 HydrophobicContact CB-CG2 3.91Å; Q376-V378 PolarHBondContact O-N 3.19Å; V378-N380 PolarHBondContact O-N 2.9Å
379	S	26.9	Very low	42.4	Very low	70 Å²	70	98.6 Å²	98.6	49%	0.49	60%	0.595	S	S	.	*			trans	-72.6	87.9	173	54.8	0	0	0	0	110	Q377 A381	Q377-S379 PolarHBondContact O-N 2.8Å; Q377-S379 VanDerWaalsContact O-N 3.09Å; S379-A381 PolarHBondContact O-N 2.89Å
380	N	35.7	Very low	44	Very low	158 Å²	158	96.4 Å²	96.4	85%	0.845	59%	0.588	S	S	*	*			trans	-74.1	66.6	170.2	-87.5	11.7	0	0	0	111	V378	V378-N380 PolarHBondContact O-N 2.9Å
381	A	33	Very low	46.1	Very low	74 Å²	74	91.8 Å²	91.8	61%	0.612	56%	0.561	S	S	*	*	S	Bend	trans	-89.4	155.7	152.7	0	0	0	0	0	108	S379 A383	S379-A381 PolarHBondContact O-N 2.89Å; A381-A383 PolarHBondContact O-N 3.36Å
382	P	36.8	Very low	47.9	Very low	111 Å²	111	92.8 Å²	92.8	72%	0.721	55%	0.552	S	S	*	*			trans	-62.4	136.3	-161.2	22.7	-33.8	0	0	0	113.6	G384	P382-G384 PolarHBondContact O-N 2.74Å
383	A	37.5	Very low	50.7	Low	117 Å²	117	91.4 Å²	91.4	97%	0.967	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	45.7	-180	0	0	0	0	0	113	A381	A381-A383 PolarHBondContact O-N 3.36Å
384	G	47.3	Very low	53.2	Low	62 Å²	62	86.7 Å²	86.7	64%	0.639	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	-46.7	-174.7	0	0	0	0	0	114.6	P382	P382-G384 PolarHBondContact O-N 2.74Å
385	D	57	Low	56.1	Low	104 Å²	104	87.7 Å²	87.7	56%	0.556	51%	0.509	S	S	*	.	S	Bend	trans	-76.1	133.1	-172.5	-37.7	-57.7	0	0	0	112	R415	D385-R415 PolarHBondContact O-NH2 2.85Å; D385-R415 IonicContact OD2-CZ 2.71Å; D385-R415 IonicContact OD2-NH1 3.73Å; D385-R415 PolarHBondContact OD2-NH1 3.27Å; D385-R415 IonicContact OD2-NH2 3.35Å
386	P	70.2	Confident	58.8	Low	119 Å²	119	81.7 Å²	81.7	77%	0.773	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-69.3	149.1	171.8	29.7	-34.4	0	0	0	111.6
387	L	76.1	Confident	61.4	Low	49 Å²	49	83.1 Å²	83.1	26%	0.257	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-71.2	152.8	171	-64.1	169.3	0	0	0	110.7	W391 Q393 Y403 R415 P416	L387-W391 HydrophobicContact CB-CB 4.25Å; L387-Q393 HydrophobicContact CD1-CB 3.77Å; L387-Y403 HydrophobicContact CD2-CD1 4.04Å; L387-Y403 HydrophobicContact CD2-CE1 3.99Å; L387-R415 HydrophobicContact CD2-CG 4.36Å; L387-P416 HydrophobicContact CD2-CG 4.19Å
388	P	77.1	Confident	63.6	Low	21 Å²	21	84 Å²	84	14%	0.136	51%	0.509	C	S	.	.	P	Polyproline II helix	trans	-62.5	152	176.4	-19.8	32.7	0	0	0	112.2	G390 W391 P416 Q417	P388-G390 PolarHBondContact O-N 2.89Å; P388-W391 WeakPolarHBondContact O-CB 3.48Å; P388-W391 PolarHBondContact O-N 2.82Å; P388-P416 VanDerWaalsContact CD-O 3.28Å; P388-P416 WeakPolarHBondContact CD-O 3.45Å; P388-P416 HydrophobicContact CG-CB 4.16Å; P388-P416 HydrophobicContact CG-CG 4.41Å; P388-P416 VanDerWaalsContact CG-O 3.28Å; P388-P416 WeakPolarHBondContact CG-O 3.38Å; P388-Q417 WeakPolarHBondContact CG-O 3.45Å
389	P	71.1	Confident	65.7	Low	106 Å²	106	80.1 Å²	80.1	69%	0.688	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	121.9	-173.5	-31.2	36.9	0	0	0	115.5	N407 R425	P389-N407 PolarHBondContact O-ND2 3.36Å; P389-N407 VanDerWaalsContact O-ND2 3.09Å; P389-R425 PolarHBondContact O-NH1 3Å
390	G	72.6	Confident	68	Low	36 Å²	36	80.5 Å²	80.5	37%	0.371	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.2	10	-179.7	0	0	0	0	0	115.4	P388 H406 N407	P388-G390 PolarHBondContact O-N 2.89Å; G390-H406 WeakPolarHBondContact O-CB 3.36Å; G390-H406 PolarHBondContact O-CD2 2.77Å; G390-H406 PolarHBondContact O-N 3.13Å; G390-N407 WeakPolarHBondContact CA-ND2 3.49Å; G390-N407 PolarHBondContact O-ND2 2.69Å
391	W	80.3	Confident	70.2	Confident	38 Å²	38	73.6 Å²	73.6	14%	0.144	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	132.3	166.8	-74.9	84.2	0	0	0	111.6	L387 P388 V404 D405 T412 P416	L387-W391 HydrophobicContact CB-CB 4.25Å; P388-W391 WeakPolarHBondContact O-CB 3.48Å; P388-W391 PolarHBondContact O-N 2.82Å; W391-V404 CarbonylContact C-O 3.49Å; W391-V404 WeakPolarHBondContact CA-O 3.39Å; W391-D405 HydrophobicContact CD2-CB 3.88Å; W391-D405 HydrophobicContact CE3-CB 3.86Å; W391-D405 HydrophobicContact CH2-CB 3.72Å; W391-D405 HydrophobicContact CZ2-CB 3.68Å; W391-D405 HydrophobicContact CZ3-CB 3.79Å; W391-T412 HydrophobicContact CH2-CG2 3.8Å; W391-T412 HydrophobicContact CZ3-CG2 3.69Å; W391-P416 HydrophobicContact CB-CG 3.95Å; W391-P416 HydrophobicContact CD2-CB 3.51Å; W391-P416 HydrophobicContact CD2-CG 3.49Å; W391-P416 VanDerWaalsContact CD2-CG 3.49Å; W391-P416 HydrophobicContact CE3-CB 3.83Å; W391-P416 HydrophobicContact CE3-CG 3.59Å; W391-P416 HydrophobicContact CG-CB 3.94Å; W391-P416 HydrophobicContact CG-CG 3.69Å; W391-P416 HydrophobicContact CH2-CB 4.07Å; W391-P416 HydrophobicContact CZ2-CB 3.81Å; W391-P416 HydrophobicContact CZ3-CB 4.09Å; W391-P416 HydrophobicContact CZ3-CG 4.18Å
392	E	84.8	Confident	72.5	Confident	70 Å²	70	72.5 Å²	72.5	33%	0.327	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	129.4	175.4	-173.1	-164.5	147.1	0	0	110.3	R394 Y403 V404 H406	E392-R394 HydrophobicContact CG-CG 4.25Å; E392-R394 VanDerWaalsContact OE1-CG 3.23Å; E392-R394 WeakPolarHBondContact OE1-CG 3.44Å; E392-R394 IonicContact OE1-CZ 2.7Å; E392-R394 IonicContact OE1-NE 3.42Å; E392-R394 PolarHBondContact OE1-NE 3.27Å; E392-R394 IonicContact OE1-NH2 3.01Å; E392-R394 PolarHBondContact OE1-NH2 3.1Å; E392-R394 IonicContact OE2-CZ 3.69Å; E392-R394 IonicContact OE2-NE 2.79Å; E392-R394 PolarHBondContact OE2-NE 2.77Å; E392-R394 IonicContact OE2-NH2 3.15Å; E392-R394 PolarHBondContact OE2-NH2 3.29Å; E392-Y403 WeakPolarHBondContact O-CA 3.15Å; E392-V404 HydrophobicContact CB-CB 4.47Å; E392-V404 PolarHBondContact N-O 3.14Å; E392-V404 PolarHBondContact O-N 2.83Å; E392-H406 WeakPolarHBondContact CB-NE2 3.43Å; E392-H406 IonicContact OE2-CD2 3.8Å; E392-H406 IonicContact OE2-CE1 2.77Å; E392-H406 PolarHBondContact OE2-CE1 2.8Å; E392-H406 VanDerWaalsContact OE2-CE1 3.31Å; E392-H406 IonicContact OE2-NE2 3.17Å; E392-H406 PolarHBondContact OE2-NE2 3.24Å
393	Q	87.3	Confident	74.8	Confident	96 Å²	96	67.8 Å²	67.8	45%	0.449	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	115.6	170.6	-180	179.1	-15.6	0	0	110.1	L387 T401 Y403	L387-Q393 HydrophobicContact CD1-CB 3.77Å; Q393-T401 HydrophobicContact CG-CG2 3.5Å; Q393-T401 VanDerWaalsContact CG-CG2 3.5Å; Q393-T401 VanDerWaalsContact NE2-CG2 3.29Å; Q393-Y403 HydrophobicContact CB-CD1 3.91Å; Q393-Y403 HydrophobicContact CB-CE1 3.89Å; Q393-Y403 HydrophobicContact CG-CD1 4.11Å; Q393-Y403 HydrophobicContact CG-CE1 3.71Å
394	R	87.4	Confident	76.7	Confident	97 Å²	97	62.9 Å²	62.9	37%	0.366	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	172.7	173.3	-68.8	-165	-178.6	162.2	6	111.4	E392 T401 Y402 V404	E392-R394 HydrophobicContact CG-CG 4.25Å; E392-R394 VanDerWaalsContact OE1-CG 3.23Å; E392-R394 WeakPolarHBondContact OE1-CG 3.44Å; E392-R394 IonicContact OE1-CZ 2.7Å; E392-R394 IonicContact OE1-NE 3.42Å; E392-R394 PolarHBondContact OE1-NE 3.27Å; E392-R394 IonicContact OE1-NH2 3.01Å; E392-R394 PolarHBondContact OE1-NH2 3.1Å; E392-R394 IonicContact OE2-CZ 3.69Å; E392-R394 IonicContact OE2-NE 2.79Å; E392-R394 PolarHBondContact OE2-NE 2.77Å; E392-R394 IonicContact OE2-NH2 3.15Å; E392-R394 PolarHBondContact OE2-NH2 3.29Å; R394-T401 WeakPolarHBondContact O-CA 3.46Å; R394-Y402 HydrophobicContact CB-CD1 4.02Å; R394-Y402 HydrophobicContact CB-CD2 4.42Å; R394-Y402 HydrophobicContact CB-CE1 3.51Å; R394-Y402 HydrophobicContact CB-CE2 3.99Å; R394-Y402 HydrophobicContact CB-CG 4.45Å; R394-Y402 PolarHBondContact N-O 3Å; R394-Y402 PolarHBondContact O-N 2.84Å; R394-Y402 VanDerWaalsContact O-O 3.08Å; R394-V404 HydrophobicContact CB-CG2 4.36Å; R394-V404 HydrophobicContact CG-CG2 3.92Å
395	K	86.8	Confident	78.2	Confident	117 Å²	117	60.5 Å²	60.5	51%	0.509	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	134.5	169.5	-70.9	-171.8	175.3	-170.1	0	109.1	R400 Y402	K395-R400 VanDerWaalsContact CA-O 3.31Å; K395-R400 WeakPolarHBondContact CA-O 3.31Å; K395-Y402 VanDerWaalsContact C-CE1 3.47Å
396	D	83.5	Confident	78.9	Confident	23 Å²	23	60 Å²	60	12%	0.123	31%	0.314	C	S	.	.			trans	-73.3	173.5	177.9	74.4	-8.6	0	0	0	110.9	H398 G399 R400 Y402 W413	D396-H398 PolarHBondContact O-N 2.8Å; D396-H398 WeakPolarHBondContact OD1-CA 3.35Å; D396-H398 VanDerWaalsContact OD1-CB 3.25Å; D396-H398 WeakPolarHBondContact OD1-CB 3.29Å; D396-H398 PolarHBondContact OD1-N 2.87Å; D396-H398 VanDerWaalsContact OD1-N 3.11Å; D396-G399 WeakPolarHBondContact O-CA 3.46Å; D396-G399 PolarHBondContact O-N 3.1Å; D396-G399 PolarHBondContact OD1-N 2.9Å; D396-R400 PolarHBondContact N-O 2.88Å; D396-R400 PolarHBondContact OD1-N 2.84Å; D396-R400 IonicContact OD2-CZ 3.27Å; D396-R400 VanDerWaalsContact OD2-CZ 3.26Å; D396-R400 IonicContact OD2-NE 3.57Å; D396-R400 PolarHBondContact OD2-NE 3.19Å; D396-R400 IonicContact OD2-NH2 2.77Å; D396-R400 PolarHBondContact OD2-NH2 3.2Å; D396-Y402 HydrophobicContact CB-CD1 4.1Å; D396-Y402 HydrophobicContact CB-CE1 4.02Å; D396-W413 HydrophobicContact CB-CH2 4.46Å
397	P	79.8	Confident	78.8	Confident	123 Å²	123	56.9 Å²	56.9	80%	0.799	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-13	175.2	-24.3	35.5	0	0	0	113.8	R375	R375-P397 PolarHBondContact NH2-O 3.22Å; R375-P397 VanDerWaalsContact NH2-O 3.12Å
398	H	75.2	Confident	78.3	Confident	85 Å²	85	57.6 Å²	57.6	39%	0.394	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-29.3	170.1	-71.5	80.9	0	0	0	111.3	R375 Q376 D396	R375-H398 HydrophobicContact CG-CB 3.64Å; R375-H398 WeakPolarHBondContact CG-O 3.32Å; R375-H398 PolarHBondContact NE-O 2.83Å; R375-H398 PolarHBondContact NH1-CD2 3.37Å; Q376-H398 WeakPolarHBondContact CG-O 3.46Å; Q376-H398 PolarHBondContact NE2-O 3.05Å; D396-H398 PolarHBondContact O-N 2.8Å; D396-H398 WeakPolarHBondContact OD1-CA 3.35Å; D396-H398 VanDerWaalsContact OD1-CB 3.25Å; D396-H398 WeakPolarHBondContact OD1-CB 3.29Å; D396-H398 PolarHBondContact OD1-N 2.87Å; D396-H398 VanDerWaalsContact OD1-N 3.11Å
399	G	74.6	Confident	78.1	Confident	6 Å²	6	67.4 Å²	67.4	6%	0.062	33%	0.332	C	S	.	.			trans	96.9	10	177.5	0	0	0	0	0	113.7	Q376 D396 T401	Q376-G399 VanDerWaalsContact CD-CA 3.46Å; Q376-G399 VanDerWaalsContact CG-C 3.48Å; Q376-G399 WeakPolarHBondContact CG-O 3.06Å; Q376-G399 PolarHBondContact OE1-O 3.32Å; D396-G399 WeakPolarHBondContact O-CA 3.46Å; D396-G399 PolarHBondContact O-N 3.1Å; D396-G399 PolarHBondContact OD1-N 2.9Å; G399-T401 PolarHBondContact O-N 3.35Å
400	R	74.8	Confident	78	Confident	79 Å²	79	65.8 Å²	65.8	30%	0.298	32%	0.32	S	S	.	.			trans	-62.1	129.9	168.2	-71.1	177.9	-69.6	-166	4.4	108.5	P374 K395 D396 Y402 W413	P374-R400 VanDerWaalsContact O-CD 3.26Å; P374-R400 WeakPolarHBondContact O-CD 3.33Å; K395-R400 VanDerWaalsContact CA-O 3.31Å; K395-R400 WeakPolarHBondContact CA-O 3.31Å; D396-R400 PolarHBondContact N-O 2.88Å; D396-R400 PolarHBondContact OD1-N 2.84Å; D396-R400 IonicContact OD2-CZ 3.27Å; D396-R400 VanDerWaalsContact OD2-CZ 3.26Å; D396-R400 IonicContact OD2-NE 3.57Å; D396-R400 PolarHBondContact OD2-NE 3.19Å; D396-R400 IonicContact OD2-NH2 2.77Å; D396-R400 PolarHBondContact OD2-NH2 3.2Å; R400-Y402 PolarHBondContact O-N 3.28Å; R400-W413 HydrophobicContact CB-CE3 4.11Å; R400-W413 HydrophobicContact CB-CH2 4.41Å; R400-W413 HydrophobicContact CB-CZ3 3.51Å; R400-W413 HydrophobicContact CG-CZ3 4.4Å
401	T	81.4	Confident	78.3	Confident	12 Å²	12	68.6 Å²	68.6	7%	0.074	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	129.8	169.5	-53.4	0	0	0	0	109.5	Q393 R394 G399 Y403	Q393-T401 HydrophobicContact CG-CG2 3.5Å; Q393-T401 VanDerWaalsContact CG-CG2 3.5Å; Q393-T401 VanDerWaalsContact NE2-CG2 3.29Å; R394-T401 WeakPolarHBondContact O-CA 3.46Å; G399-T401 PolarHBondContact O-N 3.35Å; T401-Y403 HydrophobicContact CG2-CE1 4.16Å; T401-Y403 HydrophobicContact CG2-CE2 3.93Å
402	Y	80.9	Confident	77.8	Confident	51 Å²	51	69 Å²	69	20%	0.2	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	149.9	168.7	73.7	-83.3	0	0	0	109.2	R394 K395 D396 R400 V404 T411 T412 W413	R394-Y402 HydrophobicContact CB-CD1 4.02Å; R394-Y402 HydrophobicContact CB-CD2 4.42Å; R394-Y402 HydrophobicContact CB-CE1 3.51Å; R394-Y402 HydrophobicContact CB-CE2 3.99Å; R394-Y402 HydrophobicContact CB-CG 4.45Å; R394-Y402 PolarHBondContact N-O 3Å; R394-Y402 PolarHBondContact O-N 2.84Å; R394-Y402 VanDerWaalsContact O-O 3.08Å; K395-Y402 VanDerWaalsContact C-CE1 3.47Å; D396-Y402 HydrophobicContact CB-CD1 4.1Å; D396-Y402 HydrophobicContact CB-CE1 4.02Å; R400-Y402 PolarHBondContact O-N 3.28Å; Y402-V404 HydrophobicContact CD2-CG2 4.05Å; Y402-V404 HydrophobicContact CE2-CG2 3.56Å; Y402-T411 HydrophobicContact CD2-CG2 4.06Å; Y402-T411 HydrophobicContact CE2-CG2 3.93Å; Y402-T412 CarbonylContact C-O 3.45Å; Y402-T412 WeakPolarHBondContact CA-O 3.16Å; Y402-W413 HydrophobicContact CG-CZ3 4.46Å
403	Y	84.9	Confident	77.4	Confident	13 Å²	13	72 Å²	72	5%	0.051	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	124	-174.4	-55.4	-89.8	0	0	0	108.6	L387 E392 Q393 T401 T411 T412 E414 R415 P416	L387-Y403 HydrophobicContact CD2-CD1 4.04Å; L387-Y403 HydrophobicContact CD2-CE1 3.99Å; E392-Y403 WeakPolarHBondContact O-CA 3.15Å; Q393-Y403 HydrophobicContact CB-CD1 3.91Å; Q393-Y403 HydrophobicContact CB-CE1 3.89Å; Q393-Y403 HydrophobicContact CG-CD1 4.11Å; Q393-Y403 HydrophobicContact CG-CE1 3.71Å; T401-Y403 HydrophobicContact CG2-CE1 4.16Å; T401-Y403 HydrophobicContact CG2-CE2 3.93Å; Y403-T411 WeakPolarHBondContact O-CA 3.4Å; Y403-T412 PolarHBondContact N-O 2.79Å; Y403-T412 PolarHBondContact O-N 2.86Å; Y403-E414 VanDerWaalsContact CD2-C 3.44Å; Y403-E414 WeakPolarHBondContact CD2-O 3.45Å; Y403-R415 HydrophobicContact CE1-CB 4.33Å; Y403-R415 HydrophobicContact CE1-CG 3.95Å; Y403-R415 HydrophobicContact CE2-CB 3.98Å; Y403-P416 HydrophobicContact CD1-CG 4.38Å; Y403-P416 HydrophobicContact CG-CG 4.45Å
404	V	78	Confident	76.8	Confident	13 Å²	13	72.9 Å²	72.9	8%	0.079	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	122.8	176	-175.2	0	0	0	0	108.1	W391 E392 R394 Y402 T411	W391-V404 CarbonylContact C-O 3.49Å; W391-V404 WeakPolarHBondContact CA-O 3.39Å; E392-V404 HydrophobicContact CB-CB 4.47Å; E392-V404 PolarHBondContact N-O 3.14Å; E392-V404 PolarHBondContact O-N 2.83Å; R394-V404 HydrophobicContact CB-CG2 4.36Å; R394-V404 HydrophobicContact CG-CG2 3.92Å; Y402-V404 HydrophobicContact CD2-CG2 4.05Å; Y402-V404 HydrophobicContact CE2-CG2 3.56Å; V404-T411 HydrophobicContact CG1-CG2 4.47Å; V404-T411 HydrophobicContact CG2-CG2 4.09Å
405	D	77.7	Confident	76.4	Confident	13 Å²	13	73.1 Å²	73.1	7%	0.07	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	105.8	165.7	-176.6	0.1	0	0	0	108.5	W391 N407 T408 R409 T410	W391-D405 HydrophobicContact CD2-CB 3.88Å; W391-D405 HydrophobicContact CE3-CB 3.86Å; W391-D405 HydrophobicContact CH2-CB 3.72Å; W391-D405 HydrophobicContact CZ2-CB 3.68Å; W391-D405 HydrophobicContact CZ3-CB 3.79Å; D405-N407 PolarHBondContact O-N 2.99Å; D405-N407 WeakPolarHBondContact OD1-CA 3.3Å; D405-N407 WeakPolarHBondContact OD1-CB 3.45Å; D405-N407 PolarHBondContact OD1-N 3.2Å; D405-N407 PolarHBondContact OD1-ND2 3.05Å; D405-T408 WeakPolarHBondContact CB-OG1 3.35Å; D405-T408 PolarHBondContact OD1-N 2.66Å; D405-T408 WeakPolarHBondContact OD2-CB 3.48Å; D405-T408 VanDerWaalsContact OD2-CG2 3.24Å; D405-T408 WeakPolarHBondContact OD2-CG2 3.34Å; D405-T408 PolarHBondContact OD2-N 3.07Å; D405-T408 PolarHBondContact OD2-OG1 2.7Å; D405-R409 CarbonylContact O-C 3.59Å; D405-R409 WeakPolarHBondContact O-CA 3.41Å; D405-R409 PolarHBondContact O-N 2.75Å; D405-T410 PolarHBondContact N-O 3.25Å; D405-T410 PolarHBondContact O-N 3.38Å
406	H	73	Confident	75.6	Confident	92 Å²	92	68.1 Å²	68.1	43%	0.426	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-16.9	176.8	-72	-84.5	0	0	0	113.1	G390 E392	G390-H406 WeakPolarHBondContact O-CB 3.36Å; G390-H406 PolarHBondContact O-CD2 2.77Å; G390-H406 PolarHBondContact O-N 3.13Å; E392-H406 WeakPolarHBondContact CB-NE2 3.43Å; E392-H406 IonicContact OE2-CD2 3.8Å; E392-H406 IonicContact OE2-CE1 2.77Å; E392-H406 PolarHBondContact OE2-CE1 2.8Å; E392-H406 VanDerWaalsContact OE2-CE1 3.31Å; E392-H406 IonicContact OE2-NE2 3.17Å; E392-H406 PolarHBondContact OE2-NE2 3.24Å
407	N	67.6	Low	75.2	Confident	55 Å²	55	70.7 Å²	70.7	29%	0.294	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-45.7	-177.5	-42.9	-88.1	0	0	0	110.8	P389 G390 D405 R425 I433	P389-N407 PolarHBondContact O-ND2 3.36Å; P389-N407 VanDerWaalsContact O-ND2 3.09Å; G390-N407 WeakPolarHBondContact CA-ND2 3.49Å; G390-N407 PolarHBondContact O-ND2 2.69Å; D405-N407 PolarHBondContact O-N 2.99Å; D405-N407 WeakPolarHBondContact OD1-CA 3.3Å; D405-N407 WeakPolarHBondContact OD1-CB 3.45Å; D405-N407 PolarHBondContact OD1-N 3.2Å; D405-N407 PolarHBondContact OD1-ND2 3.05Å; N407-R425 VanDerWaalsContact CG-CZ 3.5Å; N407-R425 PolarHBondContact ND2-NH1 2.88Å; N407-R425 PolarHBondContact OD1-NH1 3.15Å; N407-R425 PolarHBondContact OD1-NH2 3.37Å; N407-I433 HydrophobicContact CB-CD1 4.37Å
408	T	65.5	Low	75.2	Confident	64 Å²	64	69.7 Å²	69.7	39%	0.393	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-10.6	173.3	60.2	0	0	0	0	113.9	D405 T410 I433	D405-T408 WeakPolarHBondContact CB-OG1 3.35Å; D405-T408 PolarHBondContact OD1-N 2.66Å; D405-T408 WeakPolarHBondContact OD2-CB 3.48Å; D405-T408 VanDerWaalsContact OD2-CG2 3.24Å; D405-T408 WeakPolarHBondContact OD2-CG2 3.34Å; D405-T408 PolarHBondContact OD2-N 3.07Å; D405-T408 PolarHBondContact OD2-OG1 2.7Å; T408-T410 VanDerWaalsContact C-N 3.25Å; T408-T410 PolarHBondContact O-N 3.41Å; T408-T410 WeakPolarHBondContact OG1-CG2 3.38Å; T408-T410 PolarHBondContact OG1-OG1 3.47Å; T408-I433 HydrophobicContact CG2-CD1 3.85Å
409	R	72.6	Confident	75.6	Confident	227 Å²	227	68.1 Å²	68.1	86%	0.857	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	29.9	-171.7	-53	-179.8	-177.8	171.9	1.4	113.6	D405	D405-R409 CarbonylContact O-C 3.59Å; D405-R409 WeakPolarHBondContact O-CA 3.41Å; D405-R409 PolarHBondContact O-N 2.75Å
410	T	69.3	Low	76.4	Confident	71 Å²	71	68.2 Å²	68.2	44%	0.436	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	168.6	179.4	64	0	0	0	0	111.9	D405 T408	D405-T410 PolarHBondContact N-O 3.25Å; D405-T410 PolarHBondContact O-N 3.38Å; T408-T410 VanDerWaalsContact C-N 3.25Å; T408-T410 PolarHBondContact O-N 3.41Å; T408-T410 WeakPolarHBondContact OG1-CG2 3.38Å; T408-T410 PolarHBondContact OG1-OG1 3.47Å
411	T	78.2	Confident	77	Confident	95 Å²	95	69.6 Å²	69.6	58%	0.583	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.7	138.2	174.6	58.1	0	0	0	0	110.8	Y402 Y403 V404	Y402-T411 HydrophobicContact CD2-CG2 4.06Å; Y402-T411 HydrophobicContact CE2-CG2 3.93Å; Y403-T411 WeakPolarHBondContact O-CA 3.4Å; V404-T411 HydrophobicContact CG1-CG2 4.47Å; V404-T411 HydrophobicContact CG2-CG2 4.09Å
412	T	70.3	Confident	77.3	Confident	48 Å²	48	70.4 Å²	70.4	29%	0.294	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	158	172.5	177.9	0	0	0	0	111.1	W391 Y402 Y403 E414	W391-T412 HydrophobicContact CH2-CG2 3.8Å; W391-T412 HydrophobicContact CZ3-CG2 3.69Å; Y402-T412 CarbonylContact C-O 3.45Å; Y402-T412 WeakPolarHBondContact CA-O 3.16Å; Y403-T412 PolarHBondContact N-O 2.79Å; Y403-T412 PolarHBondContact O-N 2.86Å; T412-E414 WeakPolarHBondContact CG2-O 3.39Å; T412-E414 PolarHBondContact OG1-N 2.98Å; T412-E414 VanDerWaalsContact OG1-N 3.16Å
413	W	77	Confident	77.8	Confident	131 Å²	131	69 Å²	69	50%	0.496	35%	0.353	S	S	.	.	S	Bend	trans	-83.2	-15.2	172.9	-57.5	102.2	0	0	0	112.4	D396 R400 Y402	D396-W413 HydrophobicContact CB-CH2 4.46Å; R400-W413 HydrophobicContact CB-CE3 4.11Å; R400-W413 HydrophobicContact CB-CH2 4.41Å; R400-W413 HydrophobicContact CB-CZ3 3.51Å; R400-W413 HydrophobicContact CG-CZ3 4.4Å; Y402-W413 HydrophobicContact CG-CZ3 4.46Å
414	E	74	Confident	78	Confident	116 Å²	116	72.1 Å²	72.1	54%	0.542	37%	0.368	S	S	.	.	S	Bend	trans	-92.4	145.2	-176.9	-57.9	-162.8	136	0	0	113.2	Y403 T412 P416	Y403-E414 VanDerWaalsContact CD2-C 3.44Å; Y403-E414 WeakPolarHBondContact CD2-O 3.45Å; T412-E414 WeakPolarHBondContact CG2-O 3.39Å; T412-E414 PolarHBondContact OG1-N 2.98Å; T412-E414 VanDerWaalsContact OG1-N 3.16Å; E414-P416 WeakPolarHBondContact O-CD 3.18Å
415	R	78.4	Confident	78.4	Confident	102 Å²	102	75.1 Å²	75.1	39%	0.385	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-70.9	121.7	-179.5	-168.2	-179.4	-171.2	-147	1.7	110.2	D385 L387 Y403 Q417	D385-R415 PolarHBondContact O-NH2 2.85Å; D385-R415 IonicContact OD2-CZ 2.71Å; D385-R415 IonicContact OD2-NH1 3.73Å; D385-R415 PolarHBondContact OD2-NH1 3.27Å; D385-R415 IonicContact OD2-NH2 3.35Å; L387-R415 HydrophobicContact CD2-CG 4.36Å; Y403-R415 HydrophobicContact CE1-CB 4.33Å; Y403-R415 HydrophobicContact CE1-CG 3.95Å; Y403-R415 HydrophobicContact CE2-CB 3.98Å; R415-Q417 PolarHBondContact O-N 2.94Å
416	P	71	Confident	79	Confident	11 Å²	11	78.3 Å²	78.3	7%	0.071	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-68.4	122.3	-178.5	29.2	-37.7	0	0	0	111.4	L387 P388 W391 Y403 E414	L387-P416 HydrophobicContact CD2-CG 4.19Å; P388-P416 VanDerWaalsContact CD-O 3.28Å; P388-P416 WeakPolarHBondContact CD-O 3.45Å; P388-P416 HydrophobicContact CG-CB 4.16Å; P388-P416 HydrophobicContact CG-CG 4.41Å; P388-P416 VanDerWaalsContact CG-O 3.28Å; P388-P416 WeakPolarHBondContact CG-O 3.38Å; W391-P416 HydrophobicContact CB-CG 3.95Å; W391-P416 HydrophobicContact CD2-CB 3.51Å; W391-P416 HydrophobicContact CD2-CG 3.49Å; W391-P416 VanDerWaalsContact CD2-CG 3.49Å; W391-P416 HydrophobicContact CE3-CB 3.83Å; W391-P416 HydrophobicContact CE3-CG 3.59Å; W391-P416 HydrophobicContact CG-CB 3.94Å; W391-P416 HydrophobicContact CG-CG 3.69Å; W391-P416 HydrophobicContact CH2-CB 4.07Å; W391-P416 HydrophobicContact CZ2-CB 3.81Å; W391-P416 HydrophobicContact CZ3-CB 4.09Å; W391-P416 HydrophobicContact CZ3-CG 4.18Å; Y403-P416 HydrophobicContact CD1-CG 4.38Å; Y403-P416 HydrophobicContact CG-CG 4.45Å; E414-P416 WeakPolarHBondContact O-CD 3.18Å
417	Q	74.3	Confident	79.6	Confident	77 Å²	77	78 Å²	78	36%	0.36	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-71.3	152.9	175.5	-65.6	-168.9	-16.2	0	0	113.4	T367 P388 R415 R447	T367-Q417 PolarHBondContact OG1-NE2 3.17Å; P388-Q417 WeakPolarHBondContact CG-O 3.45Å; R415-Q417 PolarHBondContact O-N 2.94Å; Q417-R447 PolarHBondContact O-NH2 3.5Å
418	P	79.6	Confident	80.5	Confident	103 Å²	103	76.9 Å²	76.9	67%	0.669	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-59.4	162.7	165.2	28.7	-36	0	0	0	111.5
419	L	85.3	Confident	81.6	Confident	51 Å²	51	82.5 Å²	82.5	27%	0.267	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-72.8	152.7	168.1	-62.5	177.2	0	0	0	110.1	W423 R425 Y435 R447 P448	L419-W423 HydrophobicContact CB-CB 4.17Å; L419-W423 WeakPolarHBondContact CD1-O 3.39Å; L419-R425 HydrophobicContact CD1-CB 4.18Å; L419-Y435 HydrophobicContact CD1-CD1 4.11Å; L419-Y435 HydrophobicContact CD1-CE1 4.34Å; L419-Y435 HydrophobicContact CD2-CD1 4.06Å; L419-Y435 HydrophobicContact CD2-CE1 3.92Å; L419-R447 HydrophobicContact CD2-CG 3.9Å; L419-P448 HydrophobicContact CD2-CG 4.2Å
420	P	90	Very high	82.2	Confident	8 Å²	8	80.7 Å²	80.7	5%	0.052	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-55.8	152.3	170.6	-27.2	37.5	0	0	0	112.6	G422 W423 P448 M450 V453	P420-G422 PolarHBondContact O-N 2.98Å; P420-W423 WeakPolarHBondContact O-CB 3.42Å; P420-W423 PolarHBondContact O-N 3.07Å; P420-W423 VanDerWaalsContact O-N 3.11Å; P420-P448 WeakPolarHBondContact CD-O 3.46Å; P420-P448 HydrophobicContact CG-CB 4.28Å; P420-M450 HydrophobicContact CB-CG 4.5Å; P420-M450 HydrophobicContact CB-SD 3.65Å; P420-M450 HydrophobicContact CG-CG 4.32Å; P420-M450 HydrophobicContact CG-SD 4.07Å; P420-V453 HydrophobicContact CB-CG2 3.97Å; P420-V453 HydrophobicContact CG-CG2 3.94Å
421	P	87.9	Confident	82.6	Confident	109 Å²	109	79.9 Å²	79.9	71%	0.708	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	138	177.2	-26.7	35.4	0	0	0	112.7	W423	P421-W423 VanDerWaalsContact C-N 3.3Å; P421-W423 PolarHBondContact O-N 2.81Å
422	G	87.7	Confident	82.9	Confident	28 Å²	28	78.6 Å²	78.6	29%	0.289	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.6	-22.4	-175.5	0	0	0	0	0	115.3	P420 H438 N439	P420-G422 PolarHBondContact O-N 2.98Å; G422-H438 PolarHBondContact O-CD2 2.76Å; G422-H438 PolarHBondContact O-N 3.03Å; G422-N439 WeakPolarHBondContact CA-ND2 3.36Å
423	W	90.6	Very high	83.6	Confident	22 Å²	22	78.3 Å²	78.3	8%	0.083	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	127.7	-175.1	-70.5	82.6	0	0	0	113.7	L419 P420 P421 V436 D437 T442 T444 P448 V453 M662	L419-W423 HydrophobicContact CB-CB 4.17Å; L419-W423 WeakPolarHBondContact CD1-O 3.39Å; P420-W423 WeakPolarHBondContact O-CB 3.42Å; P420-W423 PolarHBondContact O-N 3.07Å; P420-W423 VanDerWaalsContact O-N 3.11Å; P421-W423 VanDerWaalsContact C-N 3.3Å; P421-W423 PolarHBondContact O-N 2.81Å; W423-V436 CarbonylContact C-O 3.57Å; W423-V436 WeakPolarHBondContact CA-O 3.44Å; W423-V436 VanDerWaalsContact CE3-C 3.48Å; W423-D437 HydrophobicContact CD2-CB 3.84Å; W423-D437 HydrophobicContact CE3-CB 4.1Å; W423-D437 HydrophobicContact CG-CB 4.38Å; W423-D437 HydrophobicContact CH2-CB 4.14Å; W423-D437 HydrophobicContact CZ2-CB 3.86Å; W423-D437 HydrophobicContact CZ3-CB 4.23Å; W423-T442 HydrophobicContact CH2-CG2 4.29Å; W423-T444 HydrophobicContact CH2-CG2 3.92Å; W423-T444 HydrophobicContact CZ3-CG2 3.75Å; W423-P448 HydrophobicContact CB-CG 3.98Å; W423-P448 HydrophobicContact CD2-CB 3.82Å; W423-P448 HydrophobicContact CD2-CG 3.59Å; W423-P448 HydrophobicContact CE3-CB 4.11Å; W423-P448 HydrophobicContact CE3-CG 3.67Å; W423-P448 HydrophobicContact CG-CB 4.18Å; W423-P448 HydrophobicContact CG-CG 3.77Å; W423-P448 HydrophobicContact CZ2-CB 4.34Å; W423-P448 HydrophobicContact CZ3-CB 4.49Å; W423-P448 HydrophobicContact CZ3-CG 4.37Å; W423-V453 HydrophobicContact CZ2-CG2 4.46Å; W423-M662 HydrophobicContact CH2-CE 3.93Å; W423-M662 HydrophobicContact CH2-SD 3.67Å; W423-M662 HydrophobicContact CZ2-CE 3.73Å; W423-M662 HydrophobicContact CZ2-SD 4.12Å
424	E	89.8	Confident	84.1	Confident	79 Å²	79	74.8 Å²	74.8	37%	0.369	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	144.3	173	-178.4	-178.8	-150.1	0	0	110.3	R426 Y435 V436 H438	E424-R426 HydrophobicContact CG-CG 4.24Å; E424-R426 IonicContact OE2-CZ 3.32Å; E424-R426 IonicContact OE2-NE 3.24Å; E424-R426 PolarHBondContact OE2-NE 3.03Å; E424-R426 IonicContact OE2-NH2 3.25Å; E424-R426 PolarHBondContact OE2-NH2 2.97Å; E424-Y435 CarbonylContact O-C 3.56Å; E424-Y435 WeakPolarHBondContact O-CA 3.38Å; E424-V436 PolarHBondContact N-O 3.05Å; E424-V436 PolarHBondContact O-N 2.87Å; E424-H438 IonicContact OE2-CD2 2.8Å; E424-H438 IonicContact OE2-CE1 2.8Å; E424-H438 PolarHBondContact OE2-CE1 3Å; E424-H438 IonicContact OE2-NE2 3.63Å; E424-H438 PolarHBondContact OE2-NE2 3.48Å
425	R	87.5	Confident	84.9	Confident	76 Å²	76	70.5 Å²	70.5	29%	0.287	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	126.4	167.5	-175.8	-166.6	70.7	-156.8	5	109.9	P389 N407 L419 I433 Y435	P389-R425 PolarHBondContact O-NH1 3Å; N407-R425 VanDerWaalsContact CG-CZ 3.5Å; N407-R425 PolarHBondContact ND2-NH1 2.88Å; N407-R425 PolarHBondContact OD1-NH1 3.15Å; N407-R425 PolarHBondContact OD1-NH2 3.37Å; L419-R425 HydrophobicContact CD1-CB 4.18Å; R425-I433 HydrophobicContact CG-CG2 3.54Å; R425-Y435 HydrophobicContact CB-CD1 3.93Å; R425-Y435 HydrophobicContact CB-CE1 3.77Å; R425-Y435 HydrophobicContact CG-CD1 4.13Å; R425-Y435 HydrophobicContact CG-CE1 3.66Å
426	R	88.9	Confident	85.6	Confident	80 Å²	80	66 Å²	66	30%	0.302	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	173.4	173.8	-64.6	-167.1	-172.6	147.9	10.8	111.8	E424 I433 Y434 V436 H438	E424-R426 HydrophobicContact CG-CG 4.24Å; E424-R426 IonicContact OE2-CZ 3.32Å; E424-R426 IonicContact OE2-NE 3.24Å; E424-R426 PolarHBondContact OE2-NE 3.03Å; E424-R426 IonicContact OE2-NH2 3.25Å; E424-R426 PolarHBondContact OE2-NH2 2.97Å; R426-I433 WeakPolarHBondContact O-CA 3.16Å; R426-Y434 HydrophobicContact CB-CD1 4.18Å; R426-Y434 HydrophobicContact CB-CD2 4.36Å; R426-Y434 HydrophobicContact CB-CE1 3.66Å; R426-Y434 HydrophobicContact CB-CE2 3.87Å; R426-Y434 HydrophobicContact CB-CG 4.49Å; R426-Y434 VanDerWaalsContact CB-CZ 3.48Å; R426-Y434 PolarHBondContact N-O 2.81Å; R426-Y434 PolarHBondContact O-N 2.97Å; R426-Y434 VanDerWaalsContact O-O 3.1Å; R426-V436 HydrophobicContact CG-CG2 4.23Å; R426-H438 PolarHBondContact NH2-CE1 3.32Å; R426-H438 PolarHBondContact NH2-NE2 2.82Å
427	V	86.5	Confident	86.5	Confident	84 Å²	84	65.9 Å²	65.9	51%	0.509	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	138.6	177.6	-174.4	0	0	0	0	107.2	R432 I433	V427-R432 CarbonylContact C-O 3.51Å; V427-R432 WeakPolarHBondContact CA-O 3.28Å; V427-I433 HydrophobicContact CG2-CG1 4.41Å
428	D	86.7	Confident	87.2	Confident	32 Å²	32	65.8 Å²	65.8	17%	0.171	34%	0.342	C	S	.	.			trans	-89.9	175.9	176.9	81	-8.1	0	0	0	112.6	R430 G431 R432 Y434	D428-R430 PolarHBondContact O-N 2.91Å; D428-R430 WeakPolarHBondContact OD1-CA 3.3Å; D428-R430 WeakPolarHBondContact OD1-CB 3.47Å; D428-R430 PolarHBondContact OD1-N 3.42Å; D428-G431 PolarHBondContact O-N 3.3Å; D428-G431 PolarHBondContact OD1-N 3.08Å; D428-G431 VanDerWaalsContact OD1-N 3.15Å; D428-R432 PolarHBondContact N-O 3.14Å; D428-R432 WeakPolarHBondContact OD1-CB 3.37Å; D428-R432 PolarHBondContact OD1-N 3.37Å; D428-R432 IonicContact OD1-NE 2.69Å; D428-R432 IonicContact OD2-CZ 3.73Å; D428-R432 IonicContact OD2-NE 2.68Å; D428-R432 PolarHBondContact OD2-NE 3.15Å; D428-R432 IonicContact OD2-NH2 3.65Å; D428-R432 PolarHBondContact OD2-NH2 3.29Å; D428-Y434 HydrophobicContact CB-CD1 4.25Å; D428-Y434 HydrophobicContact CB-CE1 4.02Å
429	D	86.9	Confident	87.6	Confident	182 Å²	182	66.7 Å²	66.7	97%	0.973	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-12.9	-180	-53.7	-33.3	0	0	0	113.8
430	R	85.9	Confident	87.7	Confident	189 Å²	189	67.2 Å²	67.2	71%	0.713	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	3	176.8	-64.7	177.9	168.8	-177.2	-3.1	112.7	D428 R432	D428-R430 PolarHBondContact O-N 2.91Å; D428-R430 WeakPolarHBondContact OD1-CA 3.3Å; D428-R430 WeakPolarHBondContact OD1-CB 3.47Å; D428-R430 PolarHBondContact OD1-N 3.42Å; R430-R432 VanDerWaalsContact C-N 3.29Å; R430-R432 HydrophobicContact CB-CG 4.12Å
431	G	78.8	Confident	87.6	Confident	54 Å²	54	75 Å²	75	56%	0.557	38%	0.375	S	S	*	.	S	Bend	trans	77.8	9.1	-176.2	0	0	0	0	0	114.3	D428	D428-G431 PolarHBondContact O-N 3.3Å; D428-G431 PolarHBondContact OD1-N 3.08Å; D428-G431 VanDerWaalsContact OD1-N 3.15Å
432	R	83.8	Confident	87.5	Confident	68 Å²	68	70.9 Å²	70.9	26%	0.257	35%	0.348	S	S	.	.			trans	-79.6	135.1	179	-54.6	-177.9	-65.9	173.7	8.4	109.6	V427 D428 R430 W445 D687	V427-R432 CarbonylContact C-O 3.51Å; V427-R432 WeakPolarHBondContact CA-O 3.28Å; D428-R432 PolarHBondContact N-O 3.14Å; D428-R432 WeakPolarHBondContact OD1-CB 3.37Å; D428-R432 PolarHBondContact OD1-N 3.37Å; D428-R432 IonicContact OD1-NE 2.69Å; D428-R432 IonicContact OD2-CZ 3.73Å; D428-R432 IonicContact OD2-NE 2.68Å; D428-R432 PolarHBondContact OD2-NE 3.15Å; D428-R432 IonicContact OD2-NH2 3.65Å; D428-R432 PolarHBondContact OD2-NH2 3.29Å; R430-R432 VanDerWaalsContact C-N 3.29Å; R430-R432 HydrophobicContact CB-CG 4.12Å; R432-W445 HydrophobicContact CB-CH2 4.27Å; R432-W445 HydrophobicContact CB-CZ3 3.71Å; R432-D687 IonicContact CZ-OD2 3.74Å; R432-D687 IonicContact NH1-OD2 2.83Å; R432-D687 PolarHBondContact NH1-OD2 2.86Å; R432-D687 IonicContact NH2-OD2 3.78Å
433	I	84	Confident	87.7	Confident	42 Å²	42	73 Å²	73	22%	0.215	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	133.7	178.1	-65.7	173.4	0	0	0	109.9	N407 T408 R425 R426 V427 Y435	N407-I433 HydrophobicContact CB-CD1 4.37Å; T408-I433 HydrophobicContact CG2-CD1 3.85Å; R425-I433 HydrophobicContact CG-CG2 3.54Å; R426-I433 WeakPolarHBondContact O-CA 3.16Å; V427-I433 HydrophobicContact CG2-CG1 4.41Å; I433-Y435 HydrophobicContact CG2-CE2 4.03Å
434	Y	88	Confident	87.7	Confident	58 Å²	58	72.3 Å²	72.3	23%	0.227	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	171.5	169.8	69.9	-81.6	0	0	0	110.7	R426 D428 V436	R426-Y434 HydrophobicContact CB-CD1 4.18Å; R426-Y434 HydrophobicContact CB-CD2 4.36Å; R426-Y434 HydrophobicContact CB-CE1 3.66Å; R426-Y434 HydrophobicContact CB-CE2 3.87Å; R426-Y434 HydrophobicContact CB-CG 4.49Å; R426-Y434 VanDerWaalsContact CB-CZ 3.48Å; R426-Y434 PolarHBondContact N-O 2.81Å; R426-Y434 PolarHBondContact O-N 2.97Å; R426-Y434 VanDerWaalsContact O-O 3.1Å; D428-Y434 HydrophobicContact CB-CD1 4.25Å; D428-Y434 HydrophobicContact CB-CE1 4.02Å; Y434-V436 HydrophobicContact CD2-CG2 3.74Å; Y434-V436 HydrophobicContact CE2-CG2 3.36Å
435	Y	91.7	Very high	87.6	Confident	25 Å²	25	71.1 Å²	71.1	10%	0.098	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	145.5	-176.6	-56.9	-90.8	0	0	0	110.8	L419 E424 R425 I433 T443 T444 Q446 R447 P448	L419-Y435 HydrophobicContact CD1-CD1 4.11Å; L419-Y435 HydrophobicContact CD1-CE1 4.34Å; L419-Y435 HydrophobicContact CD2-CD1 4.06Å; L419-Y435 HydrophobicContact CD2-CE1 3.92Å; E424-Y435 CarbonylContact O-C 3.56Å; E424-Y435 WeakPolarHBondContact O-CA 3.38Å; R425-Y435 HydrophobicContact CB-CD1 3.93Å; R425-Y435 HydrophobicContact CB-CE1 3.77Å; R425-Y435 HydrophobicContact CG-CD1 4.13Å; R425-Y435 HydrophobicContact CG-CE1 3.66Å; I433-Y435 HydrophobicContact CG2-CE2 4.03Å; Y435-T443 CarbonylContact O-C 3.58Å; Y435-T443 VanDerWaalsContact O-CA 3.24Å; Y435-T443 WeakPolarHBondContact O-CA 3.27Å; Y435-T444 PolarHBondContact N-O 3Å; Y435-T444 PolarHBondContact O-N 3.27Å; Y435-Q446 WeakPolarHBondContact CD2-O 3.27Å; Y435-R447 HydrophobicContact CE1-CB 4.23Å; Y435-R447 HydrophobicContact CE1-CG 3.99Å; Y435-R447 VanDerWaalsContact CE2-CA 3.45Å; Y435-R447 HydrophobicContact CE2-CB 3.82Å; Y435-R447 HydrophobicContact CE2-CG 4.49Å; Y435-P448 HydrophobicContact CD1-CG 4.38Å; Y435-P448 VanDerWaalsContact CG-CD 3.44Å; Y435-P448 HydrophobicContact CG-CG 4.38Å
436	V	91.9	Very high	87.6	Confident	7 Å²	7	70.8 Å²	70.8	4%	0.042	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	126.5	-176.3	-175.1	0	0	0	0	109.7	W423 E424 R426 Y434 T442 T443	W423-V436 CarbonylContact C-O 3.57Å; W423-V436 WeakPolarHBondContact CA-O 3.44Å; W423-V436 VanDerWaalsContact CE3-C 3.48Å; E424-V436 PolarHBondContact N-O 3.05Å; E424-V436 PolarHBondContact O-N 2.87Å; R426-V436 HydrophobicContact CG-CG2 4.23Å; Y434-V436 HydrophobicContact CD2-CG2 3.74Å; Y434-V436 HydrophobicContact CE2-CG2 3.36Å; V436-T442 WeakPolarHBondContact CA-O 3.32Å; V436-T443 HydrophobicContact CB-CG2 4.43Å; V436-T443 HydrophobicContact CG1-CG2 4.19Å; V436-T443 HydrophobicContact CG2-CG2 3.95Å
437	D	91.6	Very high	87.5	Confident	9 Å²	9	71.2 Å²	71.2	5%	0.048	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	123.3	164.5	177.5	25.2	0	0	0	110	W423 N439 T440 R441 T442	W423-D437 HydrophobicContact CD2-CB 3.84Å; W423-D437 HydrophobicContact CE3-CB 4.1Å; W423-D437 HydrophobicContact CG-CB 4.38Å; W423-D437 HydrophobicContact CH2-CB 4.14Å; W423-D437 HydrophobicContact CZ2-CB 3.86Å; W423-D437 HydrophobicContact CZ3-CB 4.23Å; D437-N439 VanDerWaalsContact C-N 3.29Å; D437-N439 PolarHBondContact O-N 2.79Å; D437-N439 WeakPolarHBondContact OD1-CB 3.47Å; D437-N439 PolarHBondContact OD1-N 3.12Å; D437-N439 PolarHBondContact OD1-ND2 3.17Å; D437-T440 VanDerWaalsContact OD2-CB 3.28Å; D437-T440 WeakPolarHBondContact OD2-CB 3.26Å; D437-T440 WeakPolarHBondContact OD2-CG2 3.48Å; D437-T440 PolarHBondContact OD2-N 3.15Å; D437-T440 PolarHBondContact OD2-OG1 3.18Å; D437-R441 WeakPolarHBondContact O-CA 3.48Å; D437-R441 PolarHBondContact O-N 3.15Å; D437-R441 VanDerWaalsContact O-N 3.08Å; D437-T442 PolarHBondContact N-O 2.99Å
438	H	88.6	Confident	87.5	Confident	75 Å²	75	67.3 Å²	67.3	35%	0.347	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-24.2	174.7	-77.2	-94.5	0	0	0	113.4	G422 E424 R426 R441	G422-H438 PolarHBondContact O-CD2 2.76Å; G422-H438 PolarHBondContact O-N 3.03Å; E424-H438 IonicContact OE2-CD2 2.8Å; E424-H438 IonicContact OE2-CE1 2.8Å; E424-H438 PolarHBondContact OE2-CE1 3Å; E424-H438 IonicContact OE2-NE2 3.63Å; E424-H438 PolarHBondContact OE2-NE2 3.48Å; R426-H438 PolarHBondContact NH2-CE1 3.32Å; R426-H438 PolarHBondContact NH2-NE2 2.82Å; H438-R441 PolarHBondContact O-NE 2.89Å; H438-R441 PolarHBondContact O-NH1 3.22Å
439	N	88.5	Confident	87.5	Confident	123 Å²	123	68.7 Å²	68.7	66%	0.658	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-57.5	-175.8	-56.7	-45.2	0	0	0	111.4	G422 D437	G422-N439 WeakPolarHBondContact CA-ND2 3.36Å; D437-N439 VanDerWaalsContact C-N 3.29Å; D437-N439 PolarHBondContact O-N 2.79Å; D437-N439 WeakPolarHBondContact OD1-CB 3.47Å; D437-N439 PolarHBondContact OD1-N 3.12Å; D437-N439 PolarHBondContact OD1-ND2 3.17Å
440	T	85.6	Confident	87.4	Confident	61 Å²	61	62.1 Å²	62.1	37%	0.374	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-10	-179.3	62.5	0	0	0	0	114	D437 T442	D437-T440 VanDerWaalsContact OD2-CB 3.28Å; D437-T440 WeakPolarHBondContact OD2-CB 3.26Å; D437-T440 WeakPolarHBondContact OD2-CG2 3.48Å; D437-T440 PolarHBondContact OD2-N 3.15Å; D437-T440 PolarHBondContact OD2-OG1 3.18Å; T440-T442 WeakPolarHBondContact CB-OG1 3.42Å; T440-T442 PolarHBondContact O-N 2.95Å; T440-T442 VanDerWaalsContact OG1-CB 3.3Å; T440-T442 WeakPolarHBondContact OG1-CB 3.46Å; T440-T442 PolarHBondContact OG1-N 2.96Å; T440-T442 PolarHBondContact OG1-OG1 3.04Å
441	R	88.1	Confident	87.3	Confident	173 Å²	173	59.8 Å²	59.8	65%	0.653	30%	0.296	S	S	*	.			trans	63	12.3	-170	-52.7	-56.8	-174.7	-172.3	-3.5	114.8	D437 H438	D437-R441 WeakPolarHBondContact O-CA 3.48Å; D437-R441 PolarHBondContact O-N 3.15Å; D437-R441 VanDerWaalsContact O-N 3.08Å; H438-R441 PolarHBondContact O-NE 2.89Å; H438-R441 PolarHBondContact O-NH1 3.22Å
442	T	87.2	Confident	87.5	Confident	22 Å²	22	58.6 Å²	58.6	14%	0.135	28%	0.279	C	S	.	.			trans	-67.2	146.9	175	-53.9	0	0	0	0	111.4	W423 V436 D437 T440 F456 M662	W423-T442 HydrophobicContact CH2-CG2 4.29Å; V436-T442 WeakPolarHBondContact CA-O 3.32Å; D437-T442 PolarHBondContact N-O 2.99Å; T440-T442 WeakPolarHBondContact CB-OG1 3.42Å; T440-T442 PolarHBondContact O-N 2.95Å; T440-T442 VanDerWaalsContact OG1-CB 3.3Å; T440-T442 WeakPolarHBondContact OG1-CB 3.46Å; T440-T442 PolarHBondContact OG1-N 2.96Å; T440-T442 PolarHBondContact OG1-OG1 3.04Å; T442-F456 HydrophobicContact CG2-CE1 4.21Å; T442-F456 HydrophobicContact CG2-CE2 4.26Å; T442-F456 HydrophobicContact CG2-CZ 3.8Å; T442-F456 WeakPolarHBondContact OG1-CZ 3.45Å; T442-M662 HydrophobicContact CG2-CB 3.98Å; T442-M662 HydrophobicContact CG2-CG 3.67Å; T442-M662 HydrophobicContact CG2-SD 4.31Å
443	T	90.6	Very high	87.7	Confident	73 Å²	73	56.2 Å²	56.2	45%	0.448	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	154.1	172.1	64.7	0	0	0	0	110.9	Y435 V436	Y435-T443 CarbonylContact O-C 3.58Å; Y435-T443 VanDerWaalsContact O-CA 3.24Å; Y435-T443 WeakPolarHBondContact O-CA 3.27Å; V436-T443 HydrophobicContact CB-CG2 4.43Å; V436-T443 HydrophobicContact CG1-CG2 4.19Å; V436-T443 HydrophobicContact CG2-CG2 3.95Å
444	T	91.1	Very high	87.8	Confident	7 Å²	7	59.1 Å²	59.1	4%	0.043	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	156.7	170.7	-178.1	0	0	0	0	111.2	W423 Y435 Q446 M662	W423-T444 HydrophobicContact CH2-CG2 3.92Å; W423-T444 HydrophobicContact CZ3-CG2 3.75Å; Y435-T444 PolarHBondContact N-O 3Å; Y435-T444 PolarHBondContact O-N 3.27Å; T444-Q446 WeakPolarHBondContact CG2-O 3.38Å; T444-Q446 PolarHBondContact OG1-N 2.97Å; T444-M662 WeakPolarHBondContact CB-O 3.34Å; T444-M662 HydrophobicContact CG2-SD 3.64Å; T444-M662 PolarHBondContact OG1-O 2.79Å
445	W	88.3	Confident	87.6	Confident	54 Å²	54	59.1 Å²	59.1	21%	0.205	29%	0.285	C	S	.	.	S	Bend	trans	-83.8	-26	171.7	-63.5	100.8	0	0	0	112.7	R432 I684 N685 P686	R432-W445 HydrophobicContact CB-CH2 4.27Å; R432-W445 HydrophobicContact CB-CZ3 3.71Å; W445-I684 VanDerWaalsContact CB-O 3.24Å; W445-I684 WeakPolarHBondContact CB-O 3.04Å; W445-N685 HydrophobicContact CG-CB 4.36Å; W445-P686 VanDerWaalsContact CD2-CD 3.45Å; W445-P686 HydrophobicContact CD2-CG 4.04Å; W445-P686 HydrophobicContact CE3-CG 4.19Å; W445-P686 HydrophobicContact CH2-CG 4.09Å; W445-P686 HydrophobicContact CZ2-CG 3.87Å; W445-P686 HydrophobicContact CZ3-CG 4.23Å
446	Q	86.8	Confident	87.3	Confident	69 Å²	69	58.5 Å²	58.5	32%	0.322	28%	0.283	S	S	.	.	S	Bend	trans	-77.7	139.2	176.6	-175.9	169.4	8.6	0	0	110.7	Y435 T444 P448 C664 I684	Y435-Q446 WeakPolarHBondContact CD2-O 3.27Å; T444-Q446 WeakPolarHBondContact CG2-O 3.38Å; T444-Q446 PolarHBondContact OG1-N 2.97Å; Q446-P448 WeakPolarHBondContact O-CD 3.33Å; Q446-C664 VanDerWaalsContact CB-SG 3.51Å; Q446-I684 HydrophobicContact CB-CD1 3.92Å; Q446-I684 HydrophobicContact CB-CG2 4.35Å; Q446-I684 HydrophobicContact CG-CD1 4.04Å
447	R	86.6	Confident	87	Confident	88 Å²	88	62.3 Å²	62.3	33%	0.332	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-63.7	119	174.7	179.8	171.9	161.9	-142.7	1	109.4	Q417 L419 Y435	Q417-R447 PolarHBondContact O-NH2 3.5Å; L419-R447 HydrophobicContact CD2-CG 3.9Å; Y435-R447 HydrophobicContact CE1-CB 4.23Å; Y435-R447 HydrophobicContact CE1-CG 3.99Å; Y435-R447 VanDerWaalsContact CE2-CA 3.45Å; Y435-R447 HydrophobicContact CE2-CB 3.82Å; Y435-R447 HydrophobicContact CE2-CG 4.49Å
448	P	86.9	Confident	86.6	Confident	3 Å²	3	67 Å²	67	2%	0.019	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-67.7	140.1	-177.1	28.9	-36.7	0	0	0	110.7	L419 P420 W423 Y435 Q446 S452 V453	L419-P448 HydrophobicContact CD2-CG 4.2Å; P420-P448 WeakPolarHBondContact CD-O 3.46Å; P420-P448 HydrophobicContact CG-CB 4.28Å; W423-P448 HydrophobicContact CB-CG 3.98Å; W423-P448 HydrophobicContact CD2-CB 3.82Å; W423-P448 HydrophobicContact CD2-CG 3.59Å; W423-P448 HydrophobicContact CE3-CB 4.11Å; W423-P448 HydrophobicContact CE3-CG 3.67Å; W423-P448 HydrophobicContact CG-CB 4.18Å; W423-P448 HydrophobicContact CG-CG 3.77Å; W423-P448 HydrophobicContact CZ2-CB 4.34Å; W423-P448 HydrophobicContact CZ3-CB 4.49Å; W423-P448 HydrophobicContact CZ3-CG 4.37Å; Y435-P448 HydrophobicContact CD1-CG 4.38Å; Y435-P448 VanDerWaalsContact CG-CD 3.44Å; Y435-P448 HydrophobicContact CG-CG 4.38Å; Q446-P448 WeakPolarHBondContact O-CD 3.33Å; P448-S452 WeakPolarHBondContact CA-OG 3.29Å; P448-V453 HydrophobicContact CB-CG2 4.41Å
449	T	87.1	Confident	86.4	Confident	61 Å²	61	64.3 Å²	64.3	37%	0.374	31%	0.308	S	S	.	.			trans	-118.2	164	170.4	72.6	0	0	0	0	109.1	E451 S452 V453	T449-E451 PolarHBondContact O-N 3.36Å; T449-E451 VanDerWaalsContact O-N 3.07Å; T449-E451 PolarHBondContact OG1-N 2.64Å; T449-S452 PolarHBondContact N-OG 3.06Å; T449-S452 PolarHBondContact O-N 2.9Å; T449-S452 PolarHBondContact O-OG 2.92Å; T449-S452 PolarHBondContact OG1-N 2.91Å; T449-S452 VanDerWaalsContact OG1-N 3.08Å; T449-V453 WeakPolarHBondContact O-CG2 3.29Å; T449-V453 PolarHBondContact O-N 2.93Å
450	M	84.1	Confident	86.1	Confident	43 Å²	43	62.6 Å²	62.6	21%	0.212	30%	0.296	C	S	.	.	H	α-helix	trans	-64.5	-9.5	172.8	-69.9	-65.7	-61.7	0	0	113.2	S365 P420 R454	S365-M450 WeakPolarHBondContact OG-CB 3.25Å; P420-M450 HydrophobicContact CB-CG 4.5Å; P420-M450 HydrophobicContact CB-SD 3.65Å; P420-M450 HydrophobicContact CG-CG 4.32Å; P420-M450 HydrophobicContact CG-SD 4.07Å; M450-R454 WeakPolarHBondContact O-CG 3.46Å; M450-R454 PolarHBondContact O-NE 3.13Å
451	E	84.1	Confident	85.9	Confident	140 Å²	140	62.8 Å²	62.8	65%	0.654	30%	0.3	S	S	*	.	H	α-helix	trans	-87.7	-45.9	169.9	-176.1	164.8	-139.2	0	0	111.9	T449 V453 R454 N455	T449-E451 PolarHBondContact O-N 3.36Å; T449-E451 VanDerWaalsContact O-N 3.07Å; T449-E451 PolarHBondContact OG1-N 2.64Å; E451-V453 VanDerWaalsContact C-N 3.28Å; E451-V453 PolarHBondContact O-N 3.46Å; E451-R454 PolarHBondContact O-N 3.09Å; E451-N455 PolarHBondContact O-N 2.97Å
452	S	84.1	Confident	85.3	Confident	29 Å²	29	58.8 Å²	58.8	20%	0.203	29%	0.289	C	S	.	.	H	α-helix	trans	-64.8	-33.4	176.9	74.4	0	0	0	0	112.4	P448 T449 F456	P448-S452 WeakPolarHBondContact CA-OG 3.29Å; T449-S452 PolarHBondContact N-OG 3.06Å; T449-S452 PolarHBondContact O-N 2.9Å; T449-S452 PolarHBondContact O-OG 2.92Å; T449-S452 PolarHBondContact OG1-N 2.91Å; T449-S452 VanDerWaalsContact OG1-N 3.08Å; S452-F456 WeakPolarHBondContact O-CB 3.49Å; S452-F456 PolarHBondContact O-N 3.24Å
453	V	86.9	Confident	84.8	Confident	18 Å²	18	60.7 Å²	60.7	11%	0.109	29%	0.294	C	S	.	.	H	α-helix	trans	-64.8	-48.7	172.5	173.3	0	0	0	0	111	P420 W423 P448 T449 E451 N455 F456 E457	P420-V453 HydrophobicContact CB-CG2 3.97Å; P420-V453 HydrophobicContact CG-CG2 3.94Å; W423-V453 HydrophobicContact CZ2-CG2 4.46Å; P448-V453 HydrophobicContact CB-CG2 4.41Å; T449-V453 WeakPolarHBondContact O-CG2 3.29Å; T449-V453 PolarHBondContact O-N 2.93Å; E451-V453 VanDerWaalsContact C-N 3.28Å; E451-V453 PolarHBondContact O-N 3.46Å; V453-N455 VanDerWaalsContact C-N 3.31Å; V453-N455 PolarHBondContact O-N 2.99Å; V453-F456 PolarHBondContact O-N 2.89Å; V453-F456 VanDerWaalsContact O-N 3.13Å; V453-E457 HydrophobicContact CG1-CG 4.36Å; V453-E457 WeakPolarHBondContact O-CG 3.29Å; V453-E457 PolarHBondContact O-N 2.84Å
454	R	86.7	Confident	84	Confident	103 Å²	103	61.9 Å²	61.9	39%	0.389	31%	0.305	S	S	.	.	H	α-helix	trans	-61.6	-36.3	177	-76.6	-179.1	-64.7	150.8	7.9	113	M450 E451 Q458	M450-R454 WeakPolarHBondContact O-CG 3.46Å; M450-R454 PolarHBondContact O-NE 3.13Å; E451-R454 PolarHBondContact O-N 3.09Å; R454-Q458 VanDerWaalsContact O-CG 3.31Å; R454-Q458 WeakPolarHBondContact O-CG 3.48Å; R454-Q458 PolarHBondContact O-N 3.35Å
455	N	83.5	Confident	83	Confident	59 Å²	59	67.4 Å²	67.4	32%	0.316	33%	0.33	S	S	.	.	H	α-helix	trans	-64.2	-44.6	173.9	-172.5	10.9	0	0	0	111.3	E451 V453 Q458 W459	E451-N455 PolarHBondContact O-N 2.97Å; V453-N455 VanDerWaalsContact C-N 3.31Å; V453-N455 PolarHBondContact O-N 2.99Å; N455-Q458 PolarHBondContact O-N 3.01Å; N455-W459 PolarHBondContact O-N 3.4Å
456	F	84.9	Confident	82.2	Confident	12 Å²	12	65.8 Å²	65.8	5%	0.053	33%	0.325	C	S	.	.	H	α-helix	trans	-65.1	-40.7	175.7	178.3	-109.3	0	0	0	113.1	T442 S452 V453 Q458 W459 Q460 N660 P661 M662	T442-F456 HydrophobicContact CG2-CE1 4.21Å; T442-F456 HydrophobicContact CG2-CE2 4.26Å; T442-F456 HydrophobicContact CG2-CZ 3.8Å; T442-F456 WeakPolarHBondContact OG1-CZ 3.45Å; S452-F456 WeakPolarHBondContact O-CB 3.49Å; S452-F456 PolarHBondContact O-N 3.24Å; V453-F456 PolarHBondContact O-N 2.89Å; V453-F456 VanDerWaalsContact O-N 3.13Å; F456-Q458 VanDerWaalsContact C-N 3.32Å; F456-Q458 PolarHBondContact O-N 2.77Å; F456-W459 HydrophobicContact CD2-CE3 4.07Å; F456-W459 HydrophobicContact CD2-CZ3 4.5Å; F456-W459 AromaticContact CE2-CE3 3.97Å; F456-W459 HydrophobicContact CE2-CE3 3.97Å; F456-W459 AromaticContact CE2-CZ3 3.95Å; F456-W459 HydrophobicContact CE2-CZ3 3.95Å; F456-W459 PolarHBondContact O-N 3Å; F456-Q460 VanDerWaalsContact O-CB 3.27Å; F456-Q460 WeakPolarHBondContact O-CB 3.27Å; F456-Q460 PolarHBondContact O-N 2.65Å; F456-N660 WeakPolarHBondContact CE2-OD1 3.39Å; F456-P661 HydrophobicContact CB-CG 4.21Å; F456-P661 HydrophobicContact CD2-CG 4.12Å; F456-M662 HydrophobicContact CB-CE 3.51Å; F456-M662 HydrophobicContact CD1-CE 4.01Å; F456-M662 HydrophobicContact CD2-CE 4.19Å; F456-M662 HydrophobicContact CD2-CG 3.64Å; F456-M662 HydrophobicContact CE2-CG 3.89Å; F456-M662 HydrophobicContact CG-CE 3.65Å; F456-M662 HydrophobicContact CG-CG 4.08Å
457	E	86.6	Confident	80.9	Confident	86 Å²	86	71.2 Å²	71.2	40%	0.402	35%	0.351	S	S	.	.	H	α-helix	trans	-58.5	-42.4	172.6	-71.6	169.6	166.3	0	0	111.6	V453 Q460 S461	V453-E457 HydrophobicContact CG1-CG 4.36Å; V453-E457 WeakPolarHBondContact O-CG 3.29Å; V453-E457 PolarHBondContact O-N 2.84Å; E457-Q460 PolarHBondContact O-N 3.33Å; E457-S461 WeakPolarHBondContact O-CB 3.49Å; E457-S461 PolarHBondContact O-N 3.01Å
458	Q	83.1	Confident	79.8	Confident	107 Å²	107	69.6 Å²	69.6	50%	0.5	36%	0.361	S	S	.	.	H	α-helix	trans	-66.9	-45.3	176.3	-72.8	175.9	15.5	0	0	112.2	R454 N455 F456 Q460 S461 Q462	R454-Q458 VanDerWaalsContact O-CG 3.31Å; R454-Q458 WeakPolarHBondContact O-CG 3.48Å; R454-Q458 PolarHBondContact O-N 3.35Å; N455-Q458 PolarHBondContact O-N 3.01Å; F456-Q458 VanDerWaalsContact C-N 3.32Å; F456-Q458 PolarHBondContact O-N 2.77Å; Q458-Q460 VanDerWaalsContact C-N 3.33Å; Q458-Q460 PolarHBondContact O-N 3.28Å; Q458-S461 PolarHBondContact O-N 2.84Å; Q458-Q462 WeakPolarHBondContact O-CG 3.42Å; Q458-Q462 PolarHBondContact O-N 2.96Å
459	W	83	Confident	79.2	Confident	19 Å²	19	69.6 Å²	69.6	7%	0.072	36%	0.361	C	S	.	.	H	α-helix	trans	-59.8	-42.7	174.3	176.5	91.5	0	0	0	111.7	N455 F456 Q462 R463 H656 L659 N660	N455-W459 PolarHBondContact O-N 3.4Å; F456-W459 HydrophobicContact CD2-CE3 4.07Å; F456-W459 HydrophobicContact CD2-CZ3 4.5Å; F456-W459 AromaticContact CE2-CE3 3.97Å; F456-W459 HydrophobicContact CE2-CE3 3.97Å; F456-W459 AromaticContact CE2-CZ3 3.95Å; F456-W459 HydrophobicContact CE2-CZ3 3.95Å; F456-W459 PolarHBondContact O-N 3Å; W459-Q462 PolarHBondContact O-N 3.11Å; W459-R463 VanDerWaalsContact O-CB 3.27Å; W459-R463 WeakPolarHBondContact O-CB 3.41Å; W459-R463 PolarHBondContact O-N 3.44Å; W459-H656 WeakPolarHBondContact CZ2-O 3.49Å; W459-L659 PolarHBondContact NE1-O 3.1Å; W459-N660 HydrophobicContact CH2-CB 3.59Å; W459-N660 HydrophobicContact CZ2-CB 3.59Å; W459-N660 HydrophobicContact CZ3-CB 4.19Å
460	Q	82.8	Confident	78.9	Confident	88 Å²	88	68 Å²	68	41%	0.411	35%	0.35	S	S	.	.	H	α-helix	trans	-67.1	-37.3	178.1	-168.7	177.8	25.6	0	0	112	F456 E457 Q458 R463 S464	F456-Q460 VanDerWaalsContact O-CB 3.27Å; F456-Q460 WeakPolarHBondContact O-CB 3.27Å; F456-Q460 PolarHBondContact O-N 2.65Å; E457-Q460 PolarHBondContact O-N 3.33Å; Q458-Q460 VanDerWaalsContact C-N 3.33Å; Q458-Q460 PolarHBondContact O-N 3.28Å; Q460-R463 PolarHBondContact O-N 2.75Å; Q460-S464 PolarHBondContact O-N 3.02Å
461	S	81.4	Confident	78.5	Confident	65 Å²	65	72.1 Å²	72.1	46%	0.455	37%	0.368	S	S	.	.	H	α-helix	trans	-64.9	-46.4	173.6	-175.9	0	0	0	0	112	E457 Q458 R463 S464 Q465	E457-S461 WeakPolarHBondContact O-CB 3.49Å; E457-S461 PolarHBondContact O-N 3.01Å; Q458-S461 PolarHBondContact O-N 2.84Å; S461-R463 VanDerWaalsContact C-N 3.35Å; S461-R463 PolarHBondContact O-N 3.45Å; S461-S464 WeakPolarHBondContact O-CB 3.46Å; S461-S464 PolarHBondContact O-N 3.22Å; S461-Q465 PolarHBondContact O-N 3.09Å
462	Q	75.9	Confident	78.2	Confident	88 Å²	88	69.3 Å²	69.3	41%	0.411	36%	0.355	S	S	.	.	H	α-helix	trans	-59.7	-45.3	173.6	-70.8	169.3	9.8	0	0	110.9	Q458 W459 S464 Q465 N673	Q458-Q462 WeakPolarHBondContact O-CG 3.42Å; Q458-Q462 PolarHBondContact O-N 2.96Å; W459-Q462 PolarHBondContact O-N 3.11Å; Q462-S464 VanDerWaalsContact C-N 3.3Å; Q462-S464 PolarHBondContact O-N 3.27Å; Q462-Q465 PolarHBondContact O-N 2.84Å; Q462-Q465 VanDerWaalsContact O-N 3.09Å; Q462-N673 PolarHBondContact NE2-ND2 2.99Å; Q462-N673 VanDerWaalsContact NE2-ND2 3.12Å; Q462-N673 PolarHBondContact OE1-ND2 3.02Å
463	R	77.2	Confident	78.1	Confident	63 Å²	63	68 Å²	68	24%	0.238	35%	0.346	C	S	.	.	H	α-helix	trans	-58.2	-39	174.9	-177.5	-173.6	170.6	89.1	-1.7	112.6	W459 Q460 S461 Q465 L466 E657	W459-R463 VanDerWaalsContact O-CB 3.27Å; W459-R463 WeakPolarHBondContact O-CB 3.41Å; W459-R463 PolarHBondContact O-N 3.44Å; Q460-R463 PolarHBondContact O-N 2.75Å; S461-R463 VanDerWaalsContact C-N 3.35Å; S461-R463 PolarHBondContact O-N 3.45Å; R463-Q465 PolarHBondContact O-N 3.37Å; R463-L466 HydrophobicContact CB-CD1 4.34Å; R463-L466 HydrophobicContact CG-CD1 4.03Å; R463-L466 VanDerWaalsContact O-CB 3.31Å; R463-L466 WeakPolarHBondContact O-CB 3.36Å; R463-L466 VanDerWaalsContact O-CG 3.27Å; R463-L466 WeakPolarHBondContact O-CG 3.23Å; R463-L466 PolarHBondContact O-N 3.41Å; R463-E657 VanDerWaalsContact CZ-CD 3.43Å; R463-E657 IonicContact CZ-OE1 2.75Å; R463-E657 IonicContact CZ-OE2 2.72Å; R463-E657 IonicContact NH1-OE1 2.81Å; R463-E657 PolarHBondContact NH1-OE1 2.78Å; R463-E657 IonicContact NH1-OE2 2.82Å; R463-E657 PolarHBondContact NH1-OE2 3.41Å; R463-E657 IonicContact NH2-OE1 2.7Å; R463-E657 PolarHBondContact NH2-OE1 3.39Å; R463-E657 IonicContact NH2-OE2 3.21Å
464	S	72.1	Confident	77.9	Confident	98 Å²	98	69.9 Å²	69.9	69%	0.685	36%	0.355	S	S	*	.	H	α-helix	trans	-66.3	-18.5	178.6	-167.2	0	0	0	0	113.6	Q460 S461 Q462	Q460-S464 PolarHBondContact O-N 3.02Å; S461-S464 WeakPolarHBondContact O-CB 3.46Å; S461-S464 PolarHBondContact O-N 3.22Å; Q462-S464 VanDerWaalsContact C-N 3.3Å; Q462-S464 PolarHBondContact O-N 3.27Å
465	Q	71.9	Confident	77.7	Confident	122 Å²	122	69.8 Å²	69.8	57%	0.57	36%	0.36	S	S	*	.	H	α-helix	trans	-87.7	-10.9	178.2	-62.9	171.3	15.9	0	0	112.6	S461 Q462 R463 Q467 G468	S461-Q465 PolarHBondContact O-N 3.09Å; Q462-Q465 PolarHBondContact O-N 2.84Å; Q462-Q465 VanDerWaalsContact O-N 3.09Å; R463-Q465 PolarHBondContact O-N 3.37Å; Q465-Q467 PolarHBondContact O-N 2.87Å; Q465-G468 PolarHBondContact O-N 2.87Å; Q465-G468 VanDerWaalsContact O-N 3.13Å
466	L	70	Confident	77.8	Confident	20 Å²	20	67.7 Å²	67.7	11%	0.105	35%	0.347	C	S	.	.	H	α-helix	trans	-63.3	-16.7	-176.6	-63.7	175.3	0	0	0	114.5	R463 G468 A469 M470 F652 H656	R463-L466 HydrophobicContact CB-CD1 4.34Å; R463-L466 HydrophobicContact CG-CD1 4.03Å; R463-L466 VanDerWaalsContact O-CB 3.31Å; R463-L466 WeakPolarHBondContact O-CB 3.36Å; R463-L466 VanDerWaalsContact O-CG 3.27Å; R463-L466 WeakPolarHBondContact O-CG 3.23Å; R463-L466 PolarHBondContact O-N 3.41Å; L466-G468 PolarHBondContact O-N 2.98Å; L466-A469 HydrophobicContact CD2-CB 4.12Å; L466-A469 WeakPolarHBondContact O-CB 3.45Å; L466-A469 PolarHBondContact O-N 3.35Å; L466-M470 PolarHBondContact O-N 3.18Å; L466-F652 HydrophobicContact CB-CE1 4.04Å; L466-F652 HydrophobicContact CB-CZ 4.16Å; L466-F652 HydrophobicContact CD2-CZ 4.12Å; L466-H656 HydrophobicContact CD1-CB 3.99Å; L466-H656 VanDerWaalsContact CD1-CG 3.49Å; L466-H656 WeakPolarHBondContact CD2-NE2 3.27Å
467	Q	59.7	Low	77.6	Confident	184 Å²	184	68.1 Å²	68.1	86%	0.86	35%	0.349	S	S	*	.	H	α-helix	trans	-63.9	-26.7	176.1	-156.2	170.8	19.7	0	0	112.2	Q465	Q465-Q467 PolarHBondContact O-N 2.87Å
468	G	64.9	Low	77.3	Confident	53 Å²	53	70.1 Å²	70.1	55%	0.546	36%	0.361	S	S	.	.	H	α-helix	trans	-81	-38.1	167.1	0	0	0	0	0	113.2	Q465 L466 M470 H471	Q465-G468 PolarHBondContact O-N 2.87Å; Q465-G468 VanDerWaalsContact O-N 3.13Å; L466-G468 PolarHBondContact O-N 2.98Å; G468-M470 VanDerWaalsContact C-N 3.3Å; G468-M470 PolarHBondContact O-N 2.76Å; G468-H471 PolarHBondContact O-N 3.44Å
469	A	73.7	Confident	76.9	Confident	3 Å²	3	67.6 Å²	67.6	3%	0.025	35%	0.348	C	S	.	.	H	α-helix	trans	-61	-34.7	-179.8	0	0	0	0	0	113.3	L466 H471 Q472 F473 F652 L893	L466-A469 HydrophobicContact CD2-CB 4.12Å; L466-A469 WeakPolarHBondContact O-CB 3.45Å; L466-A469 PolarHBondContact O-N 3.35Å; A469-H471 PolarHBondContact O-N 2.82Å; A469-H471 VanDerWaalsContact O-N 3.08Å; A469-Q472 PolarHBondContact O-N 3.17Å; A469-F473 PolarHBondContact O-N 2.8Å; A469-F652 HydrophobicContact CB-CZ 4Å; A469-L893 HydrophobicContact CB-CD1 3.94Å; A469-L893 HydrophobicContact CB-CD2 3.59Å; A469-L893 HydrophobicContact CB-CG 4.44Å
470	M	79.9	Confident	76.4	Confident	29 Å²	29	67.4 Å²	67.4	14%	0.143	35%	0.349	C	S	.	.	H	α-helix	trans	-56.5	-27.8	-179.7	-173	58.2	-175	0	0	113.4	L466 G468 F473 N474 E649 F652	L466-M470 PolarHBondContact O-N 3.18Å; G468-M470 VanDerWaalsContact C-N 3.3Å; G468-M470 PolarHBondContact O-N 2.76Å; M470-F473 HydrophobicContact CE-CD1 4.41Å; M470-F473 HydrophobicContact SD-CD1 3.85Å; M470-N474 WeakPolarHBondContact O-CB 3.39Å; M470-N474 PolarHBondContact O-N 3.44Å; M470-N474 PolarHBondContact O-ND2 2.73Å; M470-N474 VanDerWaalsContact O-ND2 3.1Å; M470-E649 HydrophobicContact CE-CB 3.78Å; M470-E649 HydrophobicContact CE-CG 4.18Å; M470-F652 HydrophobicContact CB-CD1 4.39Å; M470-F652 HydrophobicContact CB-CE1 4Å; M470-F652 HydrophobicContact CB-CZ 4.5Å; M470-F652 HydrophobicContact CG-CD1 4.41Å; M470-F652 HydrophobicContact SD-CB 3.89Å; M470-F652 HydrophobicContact SD-CD1 3.42Å; M470-F652 WeakPolarHBondContact SD-CD1 3.49Å; M470-F652 HydrophobicContact SD-CD2 4.31Å; M470-F652 HydrophobicContact SD-CE1 3.97Å; M470-F652 HydrophobicContact SD-CG 3.61Å
471	H	77.2	Confident	75.6	Confident	128 Å²	128	65.7 Å²	65.7	59%	0.593	35%	0.35	S	S	*	.	H	α-helix	trans	-70	-48.3	173.9	-175.3	-86.9	0	0	0	112.2	G468 A469 F473 N474 Q475	G468-H471 PolarHBondContact O-N 3.44Å; A469-H471 PolarHBondContact O-N 2.82Å; A469-H471 VanDerWaalsContact O-N 3.08Å; H471-F473 VanDerWaalsContact C-N 3.32Å; H471-F473 PolarHBondContact O-N 2.81Å; H471-N474 PolarHBondContact O-N 3.22Å; H471-Q475 PolarHBondContact O-N 3.07Å; H471-Q475 VanDerWaalsContact O-N 3.14Å
472	Q	75.9	Confident	74.5	Confident	81 Å²	81	66.3 Å²	66.3	38%	0.379	35%	0.354	S	S	.	.	H	α-helix	trans	-63.7	-38.5	175.4	-67.7	-176.7	-7.6	0	0	111.4	A469 N474 Q475 R476 L893	A469-Q472 PolarHBondContact O-N 3.17Å; Q472-N474 PolarHBondContact O-N 3.1Å; Q472-Q475 WeakPolarHBondContact O-CB 3.27Å; Q472-Q475 PolarHBondContact O-N 2.98Å; Q472-Q475 VanDerWaalsContact O-N 3.15Å; Q472-R476 PolarHBondContact O-N 3.48Å; Q472-L893 PolarHBondContact NE2-O 3.09Å; Q472-L893 VanDerWaalsContact OE1-CD2 3.24Å
473	F	82.2	Confident	73.4	Confident	2 Å²	2	63.7 Å²	63.7	1%	0.009	34%	0.343	C	S	.	.	H	α-helix	trans	-61.6	-42.2	174.3	-177.5	-102.8	0	0	0	112.4	A469 M470 H471 Q475 R476 Y477 F652 F708 D710	A469-F473 PolarHBondContact O-N 2.8Å; M470-F473 HydrophobicContact CE-CD1 4.41Å; M470-F473 HydrophobicContact SD-CD1 3.85Å; H471-F473 VanDerWaalsContact C-N 3.32Å; H471-F473 PolarHBondContact O-N 2.81Å; F473-Q475 VanDerWaalsContact C-N 3.29Å; F473-Q475 PolarHBondContact O-N 3.23Å; F473-R476 WeakPolarHBondContact O-CB 3.34Å; F473-R476 PolarHBondContact O-N 2.97Å; F473-Y477 HydrophobicContact CD1-CE2 4.21Å; F473-Y477 AromaticContact CE1-CE2 3.66Å; F473-Y477 HydrophobicContact CE1-CE2 3.66Å; F473-Y477 HydrophobicContact CZ-CE2 4.11Å; F473-F652 HydrophobicContact CB-CD2 4.03Å; F473-F652 HydrophobicContact CB-CE2 3.9Å; F473-F652 HydrophobicContact CD1-CB 3.95Å; F473-F652 AromaticContact CD1-CD2 3.52Å; F473-F652 HydrophobicContact CD1-CD2 3.52Å; F473-F652 HydrophobicContact CD1-CE2 4.26Å; F473-F652 AromaticContact CD1-CG 3.91Å; F473-F652 HydrophobicContact CD1-CG 3.91Å; F473-F652 AromaticContact CD2-CD2 3.65Å; F473-F652 HydrophobicContact CD2-CD2 3.65Å; F473-F652 AromaticContact CD2-CE2 3.99Å; F473-F652 HydrophobicContact CD2-CE2 3.99Å; F473-F652 HydrophobicContact CE1-CB 3.58Å; F473-F652 AromaticContact CE1-CD2 3.76Å; F473-F652 HydrophobicContact CE1-CD2 3.76Å; F473-F652 HydrophobicContact CE1-CG 4.01Å; F473-F652 AromaticContact CE2-CD2 3.89Å; F473-F652 HydrophobicContact CE2-CD2 3.89Å; F473-F652 AromaticContact CG-CD2 3.44Å; F473-F652 HydrophobicContact CG-CD2 3.44Å; F473-F652 VanDerWaalsContact CG-CD2 3.44Å; F473-F652 AromaticContact CG-CE2 3.79Å; F473-F652 HydrophobicContact CG-CE2 3.79Å; F473-F652 HydrophobicContact CG-CG 4.27Å; F473-F652 HydrophobicContact CZ-CB 4.08Å; F473-F652 AromaticContact CZ-CD2 3.92Å; F473-F652 HydrophobicContact CZ-CD2 3.92Å; F473-F652 HydrophobicContact CZ-CG 4.47Å; F473-F708 HydrophobicContact CE2-CB 3.95Å; F473-F708 HydrophobicContact CZ-CB 3.81Å; F473-F708 WeakPolarHBondContact CZ-O 3.37Å; F473-D710 HydrophobicContact CD2-CB 4.31Å; F473-D710 HydrophobicContact CE2-CB 4.21Å
474	N	83.9	Confident	72.2	Confident	57 Å²	57	63 Å²	63	31%	0.305	34%	0.343	S	S	.	.	H	α-helix	trans	-64	-30.1	173.5	-82.8	-40.2	0	0	0	113.2	M470 H471 Q472 R476 Y477 L478	M470-N474 WeakPolarHBondContact O-CB 3.39Å; M470-N474 PolarHBondContact O-N 3.44Å; M470-N474 PolarHBondContact O-ND2 2.73Å; M470-N474 VanDerWaalsContact O-ND2 3.1Å; H471-N474 PolarHBondContact O-N 3.22Å; Q472-N474 PolarHBondContact O-N 3.1Å; N474-R476 VanDerWaalsContact C-N 3.28Å; N474-R476 PolarHBondContact O-N 3.06Å; N474-Y477 WeakPolarHBondContact O-CB 3.5Å; N474-Y477 PolarHBondContact O-N 3.24Å; N474-L478 PolarHBondContact O-N 2.93Å
475	Q	81.9	Confident	71	Confident	102 Å²	102	63 Å²	63	48%	0.477	34%	0.343	S	S	.	.	H	α-helix	trans	-63.3	-31.9	174.6	-69.9	174	-30.4	0	0	112.5	H471 Q472 F473 Y477 L478 Y479	H471-Q475 PolarHBondContact O-N 3.07Å; H471-Q475 VanDerWaalsContact O-N 3.14Å; Q472-Q475 WeakPolarHBondContact O-CB 3.27Å; Q472-Q475 PolarHBondContact O-N 2.98Å; Q472-Q475 VanDerWaalsContact O-N 3.15Å; F473-Q475 VanDerWaalsContact C-N 3.29Å; F473-Q475 PolarHBondContact O-N 3.23Å; Q475-Y477 VanDerWaalsContact C-N 3.26Å; Q475-Y477 PolarHBondContact O-N 3.17Å; Q475-L478 PolarHBondContact O-N 3.3Å; Q475-L478 VanDerWaalsContact O-N 3.1Å; Q475-Y479 PolarHBondContact O-N 2.95Å
476	R	85.1	Confident	69.5	Low	15 Å²	15	61.2 Å²	61.2	6%	0.057	35%	0.349	C	S	.	.	H	α-helix	trans	-57.5	-39.1	173.8	-54	-169.6	-168.9	152.3	8.4	111.8	Q472 F473 N474 Y479 S480 F708 D710 C837 M839 Q840	Q472-R476 PolarHBondContact O-N 3.48Å; F473-R476 WeakPolarHBondContact O-CB 3.34Å; F473-R476 PolarHBondContact O-N 2.97Å; N474-R476 VanDerWaalsContact C-N 3.28Å; N474-R476 PolarHBondContact O-N 3.06Å; R476-Y479 PolarHBondContact O-N 3.47Å; R476-S480 WeakPolarHBondContact O-CB 3.12Å; R476-S480 PolarHBondContact O-N 3.35Å; R476-S480 PolarHBondContact O-OG 3.45Å; R476-F708 HydrophobicContact CB-CD2 4.08Å; R476-F708 HydrophobicContact CB-CE2 4.18Å; R476-D710 IonicContact CZ-OD1 2.72Å; R476-D710 VanDerWaalsContact CZ-OD1 3.25Å; R476-D710 IonicContact NH1-OD1 3.31Å; R476-D710 PolarHBondContact NH1-OD1 3.44Å; R476-D710 IonicContact NH2-OD1 2.72Å; R476-D710 PolarHBondContact NH2-OD1 2.84Å; R476-D710 IonicContact NH2-OD2 3.37Å; R476-D710 PolarHBondContact NH2-OD2 3.25Å; R476-C837 WeakPolarHBondContact CD-O 3.26Å; R476-C837 PolarHBondContact NH1-O 2.78Å; R476-M839 WeakPolarHBondContact CA-O 3.42Å; R476-Q840 HydrophobicContact CG-CB 4.31Å
477	Y	82.1	Confident	68.6	Low	20 Å²	20	64.8 Å²	64.8	8%	0.078	37%	0.365	C	S	.	.	H	α-helix	trans	-66.6	-38.3	175.4	-74.2	-87.3	0	0	0	113.2	F473 N474 Q475 A481 R648 K707 F708	F473-Y477 HydrophobicContact CD1-CE2 4.21Å; F473-Y477 AromaticContact CE1-CE2 3.66Å; F473-Y477 HydrophobicContact CE1-CE2 3.66Å; F473-Y477 HydrophobicContact CZ-CE2 4.11Å; N474-Y477 WeakPolarHBondContact O-CB 3.5Å; N474-Y477 PolarHBondContact O-N 3.24Å; Q475-Y477 VanDerWaalsContact C-N 3.26Å; Q475-Y477 PolarHBondContact O-N 3.17Å; Y477-A481 WeakPolarHBondContact O-CB 3.31Å; Y477-A481 PolarHBondContact O-N 3.42Å; Y477-R648 HydrophobicContact CD1-CG 4.44Å; Y477-R648 HydrophobicContact CD2-CG 4.39Å; Y477-R648 HydrophobicContact CE1-CG 3.92Å; Y477-R648 HydrophobicContact CE2-CB 4.16Å; Y477-R648 HydrophobicContact CE2-CG 3.87Å; Y477-K707 HydrophobicContact CE1-CD 4.22Å; Y477-K707 WeakPolarHBondContact OH-CA 3.41Å; Y477-F708 AromaticContact CD1-CD2 3.98Å; Y477-F708 HydrophobicContact CD1-CD2 3.98Å; Y477-F708 AromaticContact CD1-CE2 3.96Å; Y477-F708 HydrophobicContact CD1-CE2 3.96Å; Y477-F708 AromaticContact CD2-CD2 3.9Å; Y477-F708 HydrophobicContact CD2-CD2 3.9Å; Y477-F708 HydrophobicContact CD2-CE2 4.4Å; Y477-F708 AromaticContact CE1-CD2 3.91Å; Y477-F708 HydrophobicContact CE1-CD2 3.91Å; Y477-F708 HydrophobicContact CE1-CE2 4.25Å; Y477-F708 HydrophobicContact CE1-CG 4.39Å; Y477-F708 HydrophobicContact CE2-CB 4.3Å; Y477-F708 AromaticContact CE2-CD2 3.81Å; Y477-F708 HydrophobicContact CE2-CD2 3.81Å; Y477-F708 HydrophobicContact CE2-CG 4.43Å; Y477-F708 AromaticContact CG-CD2 4Å; Y477-F708 HydrophobicContact CG-CD2 4Å; Y477-F708 HydrophobicContact CG-CE2 4.07Å; Y477-F708 AromaticContact CZ-CD2 3.83Å; Y477-F708 PolarHBondContact OH-N 2.8Å
478	L	79.3	Confident	67.7	Low	128 Å²	128	60.3 Å²	60.3	67%	0.67	35%	0.347	S	S	*	.	H	α-helix	trans	-67	-43.8	177.2	-62.1	176.4	0	0	0	110.8	N474 Q475 A481 S482	N474-L478 PolarHBondContact O-N 2.93Å; Q475-L478 PolarHBondContact O-N 3.3Å; Q475-L478 VanDerWaalsContact O-N 3.1Å; L478-A481 PolarHBondContact O-N 3.19Å; L478-S482 PolarHBondContact O-N 3.44Å; L478-S482 VanDerWaalsContact O-N 3.09Å
479	Y	75.3	Confident	67.1	Low	54 Å²	54	59.4 Å²	59.4	21%	0.212	33%	0.33	C	S	.	.	H	α-helix	trans	-62.6	-56.2	178	-166	-92.1	0	0	0	111.6	Q475 R476 A481 S482 M483 M839 E841 N875	Q475-Y479 PolarHBondContact O-N 2.95Å; R476-Y479 PolarHBondContact O-N 3.47Å; Y479-A481 VanDerWaalsContact C-N 3.28Å; Y479-A481 PolarHBondContact O-N 3.06Å; Y479-S482 PolarHBondContact O-N 3.12Å; Y479-S482 VanDerWaalsContact O-N 3.15Å; Y479-S482 PolarHBondContact O-OG 3.33Å; Y479-M483 HydrophobicContact CE1-SD 4.37Å; Y479-M483 PolarHBondContact O-N 3.47Å; Y479-M839 HydrophobicContact CD1-CB 4.02Å; Y479-M839 HydrophobicContact CE1-CB 4.39Å; Y479-E841 HydrophobicContact CD2-CB 3.92Å; Y479-E841 HydrophobicContact CE2-CB 3.74Å; Y479-E841 HydrophobicContact CE2-CG 4.12Å; Y479-N875 WeakPolarHBondContact OH-CB 3.2Å
480	S	72.6	Confident	65.8	Low	16 Å²	16	64.7 Å²	64.7	11%	0.112	36%	0.364	C	S	.	.	H	α-helix	trans	-61.7	-31.4	177.4	-68.2	0	0	0	0	113.5	R476 M483 M484 M839	R476-S480 WeakPolarHBondContact O-CB 3.12Å; R476-S480 PolarHBondContact O-N 3.35Å; R476-S480 PolarHBondContact O-OG 3.45Å; S480-M483 PolarHBondContact O-N 2.95Å; S480-M484 WeakPolarHBondContact O-CG 3.34Å; S480-M484 PolarHBondContact O-N 2.81Å; S480-M839 PolarHBondContact OG-N 3.42Å
481	A	65.9	Low	64.5	Low	52 Å²	52	66.7 Å²	66.7	43%	0.43	37%	0.374	S	S	.	.	H	α-helix	trans	-64.6	-45.5	173.6	0	0	0	0	0	111.9	Y477 L478 Y479 M483 M484 S485	Y477-A481 WeakPolarHBondContact O-CB 3.31Å; Y477-A481 PolarHBondContact O-N 3.42Å; L478-A481 PolarHBondContact O-N 3.19Å; Y479-A481 VanDerWaalsContact C-N 3.28Å; Y479-A481 PolarHBondContact O-N 3.06Å; A481-M483 PolarHBondContact O-N 2.92Å; A481-M484 PolarHBondContact O-N 3.35Å; A481-S485 WeakPolarHBondContact O-CB 3.32Å; A481-S485 PolarHBondContact O-N 3.4Å; A481-S485 PolarHBondContact O-OG 3.48Å
482	S	57.1	Low	63.5	Low	77 Å²	77	62 Å²	62	54%	0.538	36%	0.361	S	S	.	.	H	α-helix	trans	-59.1	-36.7	176.7	72	0	0	0	0	112.7	L478 Y479	L478-S482 PolarHBondContact O-N 3.44Å; L478-S482 VanDerWaalsContact O-N 3.09Å; Y479-S482 PolarHBondContact O-N 3.12Å; Y479-S482 VanDerWaalsContact O-N 3.15Å; Y479-S482 PolarHBondContact O-OG 3.33Å
483	M	53.5	Low	62.7	Low	34 Å²	34	61.7 Å²	61.7	17%	0.167	37%	0.365	C	S	.	.	H	α-helix	trans	-72.6	-40.4	178.4	-158.7	163	-174.2	0	0	112.2	Y479 S480 A481 R583 M839 E876	Y479-M483 HydrophobicContact CE1-SD 4.37Å; Y479-M483 PolarHBondContact O-N 3.47Å; S480-M483 PolarHBondContact O-N 2.95Å; A481-M483 PolarHBondContact O-N 2.92Å; M483-R583 VanDerWaalsContact CE-CZ 3.41Å; M483-R583 VanDerWaalsContact CE-NH1 3.34Å; M483-M839 HydrophobicContact CE-CE 3.83Å; M483-M839 HydrophobicContact CE-SD 4.35Å; M483-M839 HydrophobicContact SD-CE 3.68Å; M483-M839 HydrophobicContact SD-SD 3.65Å; M483-M839 VanDerWaalsContact SD-SD 3.65Å; M483-E876 HydrophobicContact CE-CB 4.4Å
484	M	53	Low	62.1	Low	48 Å²	48	63.4 Å²	63.4	24%	0.236	37%	0.374	C	S	.	.	H	α-helix	trans	-74.4	-34.7	176.4	-70.6	-156.5	78.2	0	0	113.5	S480 A481 A486 E487 N488 R590	S480-M484 WeakPolarHBondContact O-CG 3.34Å; S480-M484 PolarHBondContact O-N 2.81Å; A481-M484 PolarHBondContact O-N 3.35Å; M484-A486 PolarHBondContact O-N 3.45Å; M484-A486 VanDerWaalsContact O-N 3.08Å; M484-E487 PolarHBondContact O-N 3.44Å; M484-E487 VanDerWaalsContact O-N 3.15Å; M484-N488 WeakPolarHBondContact O-CB 3.46Å; M484-N488 PolarHBondContact O-N 3.05Å; M484-R590 HydrophobicContact CE-CG 3.85Å
485	S	45.3	Very low	61.6	Low	99 Å²	99	62.5 Å²	62.5	69%	0.692	37%	0.372	S	S	*	.	H	α-helix	trans	-61.1	-19.8	-176.9	-80.1	0	0	0	0	114.6	A481	A481-S485 WeakPolarHBondContact O-CB 3.32Å; A481-S485 PolarHBondContact O-N 3.4Å; A481-S485 PolarHBondContact O-OG 3.48Å
486	A	42.1	Very low	61.1	Low	83 Å²	83	62 Å²	62	69%	0.686	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-29.9	177.4	0	0	0	0	0	114	M484	M484-A486 PolarHBondContact O-N 3.45Å; M484-A486 VanDerWaalsContact O-N 3.08Å
487	E	50.3	Low	60.5	Low	96 Å²	96	62.7 Å²	62.7	45%	0.449	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.7	6.2	-158.6	-68.9	173.3	168.5	0	0	114	M484 D489 R583	M484-E487 PolarHBondContact O-N 3.44Å; M484-E487 VanDerWaalsContact O-N 3.15Å; E487-D489 PolarHBondContact O-N 3.09Å; E487-R583 IonicContact OE2-NE 2.99Å; E487-R583 PolarHBondContact OE2-NE 3.14Å
488	N	41.6	Very low	60.4	Low	89 Å²	89	64 Å²	64	48%	0.476	39%	0.394	S	S	.	.			trans	-78.2	53.5	-174.6	-148.8	1.7	0	0	0	113.5	M484	M484-N488 WeakPolarHBondContact O-CB 3.46Å; M484-N488 PolarHBondContact O-N 3.05Å
489	D	51.5	Low	60.6	Low	35 Å²	35	61.2 Å²	61.2	19%	0.187	38%	0.377	C	S	.	.			trans	-131.2	121.3	-170.7	-158.3	-56.2	0	0	0	111.6	E487 L491 G492 R524	E487-D489 PolarHBondContact O-N 3.09Å; D489-L491 PolarHBondContact O-N 2.98Å; D489-L491 VanDerWaalsContact O-N 3.08Å; D489-L491 PolarHBondContact OD1-N 3.09Å; D489-G492 PolarHBondContact O-N 2.67Å; D489-G492 VanDerWaalsContact O-N 3.12Å; D489-R524 VanDerWaalsContact CG-CZ 3.48Å; D489-R524 VanDerWaalsContact CG-NH2 3.32Å; D489-R524 IonicContact OD1-CZ 2.75Å; D489-R524 IonicContact OD1-NH1 3.37Å; D489-R524 PolarHBondContact OD1-NH1 2.88Å; D489-R524 IonicContact OD1-NH2 2.75Å; D489-R524 PolarHBondContact OD1-NH2 3.19Å; D489-R524 IonicContact OD2-CZ 2.84Å; D489-R524 VanDerWaalsContact OD2-CZ 3.24Å; D489-R524 IonicContact OD2-NH1 2.68Å; D489-R524 PolarHBondContact OD2-NH1 2.85Å; D489-R524 IonicContact OD2-NH2 3.18Å; D489-R524 PolarHBondContact OD2-NH2 3.13Å
490	P	46.6	Very low	60.9	Low	114 Å²	114	64.4 Å²	64.4	74%	0.74	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-8.9	-174.6	29.1	-36.2	0	0	0	114
491	L	51.7	Low	61.4	Low	71 Å²	71	68.3 Å²	68.3	37%	0.372	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	7.5	176.7	-60.2	172.9	0	0	0	113.2	D489 R524 T525	D489-L491 PolarHBondContact O-N 2.98Å; D489-L491 VanDerWaalsContact O-N 3.08Å; D489-L491 PolarHBondContact OD1-N 3.09Å; L491-R524 HydrophobicContact CB-CB 3.93Å; L491-R524 HydrophobicContact CB-CG 4.43Å; L491-R524 HydrophobicContact CD1-CB 4.01Å; L491-T525 HydrophobicContact CD1-CG2 3.51Å
492	G	56.1	Low	62.3	Low	29 Å²	29	69.3 Å²	69.3	30%	0.299	40%	0.402	S	S	.	.			trans	75	-172	-175	0	0	0	0	0	112.7	D489 R524	D489-G492 PolarHBondContact O-N 2.67Å; D489-G492 VanDerWaalsContact O-N 3.12Å; G492-R524 PolarHBondContact O-NH1 3.45Å
493	P	60.7	Low	63.5	Low	74 Å²	74	67.2 Å²	67.2	48%	0.481	39%	0.385	S	S	.	.	S	Bend	trans	-63	148.8	-177.8	26.6	-35	0	0	0	112.3	Y542	P493-Y542 HydrophobicContact CG-CD2 4.42Å
494	L	68.9	Low	64.7	Low	38 Å²	38	71.2 Å²	71.2	20%	0.199	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-61.2	147.8	171.9	-85.3	173.2	0	0	0	111.4	W498 R500 F510 P523	L494-W498 HydrophobicContact CB-CB 4.11Å; L494-W498 HydrophobicContact CD1-CB 4.34Å; L494-W498 HydrophobicContact CD2-CB 4.2Å; L494-W498 HydrophobicContact CG-CB 4.47Å; L494-R500 HydrophobicContact CD1-CB 3.84Å; L494-R500 VanDerWaalsContact CD1-N 3.3Å; L494-F510 HydrophobicContact CD1-CD1 4.14Å; L494-F510 HydrophobicContact CD1-CE1 4.41Å; L494-F510 HydrophobicContact CD2-CD1 3.86Å; L494-F510 HydrophobicContact CD2-CE1 4Å; L494-P523 HydrophobicContact CD2-CG 3.52Å
495	P	72.9	Confident	65.9	Low	38 Å²	38	74.1 Å²	74.1	25%	0.247	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-61.3	151.5	177.3	-19.5	31.4	0	0	0	111.8	G497 W498 R524	P495-G497 PolarHBondContact O-N 3.07Å; P495-W498 WeakPolarHBondContact O-CB 3.34Å; P495-W498 PolarHBondContact O-N 3.24Å; P495-R524 HydrophobicContact CG-CG 4.45Å
496	P	71.1	Confident	67.3	Low	92 Å²	92	76.3 Å²	76.3	60%	0.597	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	125.7	-175.7	-30	36.2	0	0	0	113.8	N514	P496-N514 PolarHBondContact O-ND2 3.01Å
497	G	72.6	Confident	68.8	Low	29 Å²	29	78.3 Å²	78.3	30%	0.299	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.7	3.3	-177.1	0	0	0	0	0	115.4	P495 H513	P495-G497 PolarHBondContact O-N 3.07Å; G497-H513 VanDerWaalsContact O-CB 3.31Å; G497-H513 WeakPolarHBondContact O-CB 3.46Å; G497-H513 PolarHBondContact O-CD2 3.3Å; G497-H513 PolarHBondContact O-N 2.97Å
498	W	79.4	Confident	70.3	Confident	49 Å²	49	76.1 Å²	76.1	19%	0.186	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	143.2	168.7	-67.4	80.9	0	0	0	111.9	L494 P495 F510 V511 N512 Q519 P523	L494-W498 HydrophobicContact CB-CB 4.11Å; L494-W498 HydrophobicContact CD1-CB 4.34Å; L494-W498 HydrophobicContact CD2-CB 4.2Å; L494-W498 HydrophobicContact CG-CB 4.47Å; P495-W498 WeakPolarHBondContact O-CB 3.34Å; P495-W498 PolarHBondContact O-N 3.24Å; W498-F510 HydrophobicContact CE3-CB 4.14Å; W498-F510 HydrophobicContact CZ3-CB 4.29Å; W498-V511 CarbonylContact C-O 3.6Å; W498-V511 WeakPolarHBondContact CA-O 3.42Å; W498-N512 HydrophobicContact CD2-CB 3.81Å; W498-N512 HydrophobicContact CE3-CB 3.7Å; W498-N512 HydrophobicContact CH2-CB 3.89Å; W498-N512 HydrophobicContact CZ2-CB 3.99Å; W498-N512 WeakPolarHBondContact CZ2-ND2 3.36Å; W498-N512 HydrophobicContact CZ3-CB 3.74Å; W498-Q519 HydrophobicContact CH2-CG 4.4Å; W498-Q519 HydrophobicContact CZ3-CG 3.91Å; W498-P523 HydrophobicContact CD2-CB 3.8Å; W498-P523 HydrophobicContact CD2-CG 3.72Å; W498-P523 HydrophobicContact CE3-CB 3.88Å; W498-P523 HydrophobicContact CE3-CG 3.66Å; W498-P523 HydrophobicContact CG-CB 4.49Å; W498-P523 HydrophobicContact CG-CG 4.16Å; W498-P523 HydrophobicContact CH2-CB 3.8Å; W498-P523 HydrophobicContact CH2-CG 4.46Å; W498-P523 HydrophobicContact CZ2-CB 3.72Å; W498-P523 HydrophobicContact CZ3-CB 3.88Å; W498-P523 HydrophobicContact CZ3-CG 4.05Å
499	E	84.3	Confident	72.3	Confident	68 Å²	68	74.5 Å²	74.5	32%	0.318	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	130.8	177.6	-176.2	-168	156.9	0	0	109.9	R501 F510 V511 H513	E499-R501 VanDerWaalsContact CD-NE 3.26Å; E499-R501 VanDerWaalsContact CD-NH2 3.3Å; E499-R501 HydrophobicContact CG-CG 4.33Å; E499-R501 IonicContact OE1-CZ 3.96Å; E499-R501 IonicContact OE1-NE 2.81Å; E499-R501 PolarHBondContact OE1-NE 2.87Å; E499-R501 IonicContact OE1-NH2 2.8Å; E499-R501 PolarHBondContact OE1-NH2 3.24Å; E499-R501 VanDerWaalsContact OE1-NH2 3.09Å; E499-R501 IonicContact OE2-CZ 3.94Å; E499-R501 IonicContact OE2-NE 3.23Å; E499-R501 PolarHBondContact OE2-NE 2.99Å; E499-R501 IonicContact OE2-NH2 2.85Å; E499-R501 PolarHBondContact OE2-NH2 3.19Å; E499-F510 WeakPolarHBondContact O-CA 3.44Å; E499-V511 HydrophobicContact CB-CB 4.42Å; E499-V511 PolarHBondContact N-O 3.18Å; E499-V511 PolarHBondContact O-N 2.99Å; E499-H513 IonicContact OE2-CD2 2.66Å; E499-H513 IonicContact OE2-CE1 3.4Å; E499-H513 PolarHBondContact OE2-CE1 3.02Å; E499-H513 IonicContact OE2-NE2 2.89Å; E499-H513 PolarHBondContact OE2-NE2 3.24Å
500	R	81.9	Confident	74	Confident	122 Å²	122	73.2 Å²	73.2	46%	0.46	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	129.2	170.8	-178.3	179.8	161.3	-146.8	-7.2	109.4	L494 V508 F510	L494-R500 HydrophobicContact CD1-CB 3.84Å; L494-R500 VanDerWaalsContact CD1-N 3.3Å; R500-V508 HydrophobicContact CG-CG1 3.63Å; R500-F510 HydrophobicContact CB-CD1 4.1Å; R500-F510 HydrophobicContact CB-CE1 3.97Å; R500-F510 HydrophobicContact CG-CD1 4.33Å; R500-F510 HydrophobicContact CG-CE1 3.9Å; R500-F510 HydrophobicContact CG-CZ 4.47Å
501	R	83.6	Confident	76	Confident	97 Å²	97	68.5 Å²	68.5	37%	0.366	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	172	172.6	-68.7	-167.8	-179.8	164.8	6.4	111	E499 V508 Y509 V511	E499-R501 VanDerWaalsContact CD-NE 3.26Å; E499-R501 VanDerWaalsContact CD-NH2 3.3Å; E499-R501 HydrophobicContact CG-CG 4.33Å; E499-R501 IonicContact OE1-CZ 3.96Å; E499-R501 IonicContact OE1-NE 2.81Å; E499-R501 PolarHBondContact OE1-NE 2.87Å; E499-R501 IonicContact OE1-NH2 2.8Å; E499-R501 PolarHBondContact OE1-NH2 3.24Å; E499-R501 VanDerWaalsContact OE1-NH2 3.09Å; E499-R501 IonicContact OE2-CZ 3.94Å; E499-R501 IonicContact OE2-NE 3.23Å; E499-R501 PolarHBondContact OE2-NE 2.99Å; E499-R501 IonicContact OE2-NH2 2.85Å; E499-R501 PolarHBondContact OE2-NH2 3.19Å; R501-V508 WeakPolarHBondContact O-CA 3.36Å; R501-Y509 HydrophobicContact CB-CD1 3.92Å; R501-Y509 HydrophobicContact CB-CD2 4.48Å; R501-Y509 HydrophobicContact CB-CE1 3.42Å; R501-Y509 VanDerWaalsContact CB-CE1 3.42Å; R501-Y509 HydrophobicContact CB-CE2 4.07Å; R501-Y509 HydrophobicContact CB-CG 4.42Å; R501-Y509 WeakPolarHBondContact CD-OH 3.09Å; R501-Y509 PolarHBondContact N-O 3.42Å; R501-Y509 PolarHBondContact O-N 2.84Å; R501-Y509 VanDerWaalsContact O-O 3.12Å; R501-V511 HydrophobicContact CG-CG2 4.1Å
502	V	84.9	Confident	77.6	Confident	73 Å²	73	65.7 Å²	65.7	44%	0.442	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	136.7	176.2	-172.6	0	0	0	0	107.2	D506 R507 V508	V502-D506 VanDerWaalsContact CG1-C 3.46Å; V502-R507 CarbonylContact C-O 3.55Å; V502-R507 WeakPolarHBondContact CA-O 3.39Å; V502-V508 HydrophobicContact CG2-CG2 4.48Å
503	D	81.4	Confident	78.8	Confident	34 Å²	34	67.5 Å²	67.5	18%	0.182	35%	0.354	C	S	.	.			trans	-83.2	179.7	175.9	79.2	-1.5	0	0	0	112.4	N505 D506 R507 Y509	D503-N505 PolarHBondContact O-N 3.4Å; D503-N505 WeakPolarHBondContact OD1-CA 3.3Å; D503-N505 WeakPolarHBondContact OD1-CB 3.34Å; D503-N505 PolarHBondContact OD1-N 3.07Å; D503-D506 PolarHBondContact O-N 2.91Å; D503-D506 PolarHBondContact OD1-N 3.33Å; D503-R507 PolarHBondContact N-O 3.5Å; D503-R507 WeakPolarHBondContact OD1-CB 3.32Å; D503-R507 PolarHBondContact OD1-N 3.31Å; D503-R507 IonicContact OD1-NE 3.88Å; D503-R507 IonicContact OD2-CZ 2.99Å; D503-R507 IonicContact OD2-NE 2.95Å; D503-R507 PolarHBondContact OD2-NE 3.3Å; D503-R507 IonicContact OD2-NH2 3.48Å; D503-R507 PolarHBondContact OD2-NH2 3.19Å; D503-Y509 HydrophobicContact CB-CD1 4.4Å; D503-Y509 HydrophobicContact CB-CE1 4.35Å
504	S	79.5	Confident	79.6	Confident	118 Å²	118	69.4 Å²	69.4	83%	0.825	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-5.5	178.6	56	0	0	0	0	114.9
505	N	78.5	Confident	80.4	Confident	108 Å²	108	71.5 Å²	71.5	58%	0.578	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.4	22.5	-173.4	-54.1	7.4	0	0	0	110.7	D503 R507	D503-N505 PolarHBondContact O-N 3.4Å; D503-N505 WeakPolarHBondContact OD1-CA 3.3Å; D503-N505 WeakPolarHBondContact OD1-CB 3.34Å; D503-N505 PolarHBondContact OD1-N 3.07Å; N505-R507 HydrophobicContact CB-CG 4.34Å; N505-R507 PolarHBondContact O-N 2.92Å
506	D	73	Confident	81.1	Confident	145 Å²	145	77.3 Å²	77.3	78%	0.775	40%	0.397	S	S	*	.	S	Bend	trans	58.4	17.8	-175	-77.2	-41.5	0	0	0	115.6	V502 D503	V502-D506 VanDerWaalsContact CG1-C 3.46Å; D503-D506 PolarHBondContact O-N 2.91Å; D503-D506 PolarHBondContact OD1-N 3.33Å
507	R	74.6	Confident	81.6	Confident	126 Å²	126	76.1 Å²	76.1	48%	0.475	39%	0.388	S	S	.	.			trans	-88.7	128	179.5	-53.9	-177.5	-59.8	160.8	5.8	111	V502 D503 N505 W520	V502-R507 CarbonylContact C-O 3.55Å; V502-R507 WeakPolarHBondContact CA-O 3.39Å; D503-R507 PolarHBondContact N-O 3.5Å; D503-R507 WeakPolarHBondContact OD1-CB 3.32Å; D503-R507 PolarHBondContact OD1-N 3.31Å; D503-R507 IonicContact OD1-NE 3.88Å; D503-R507 IonicContact OD2-CZ 2.99Å; D503-R507 IonicContact OD2-NE 2.95Å; D503-R507 PolarHBondContact OD2-NE 3.3Å; D503-R507 IonicContact OD2-NH2 3.48Å; D503-R507 PolarHBondContact OD2-NH2 3.19Å; N505-R507 HydrophobicContact CB-CG 4.34Å; N505-R507 PolarHBondContact O-N 2.92Å; R507-W520 HydrophobicContact CB-CZ3 3.98Å; R507-W520 VanDerWaalsContact NH2-CH2 3.33Å
508	V	81.3	Confident	82.4	Confident	50 Å²	50	79.3 Å²	79.3	30%	0.303	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	137.1	176.8	179.5	0	0	0	0	110.6	R500 R501 V502 F510	R500-V508 HydrophobicContact CG-CG1 3.63Å; R501-V508 WeakPolarHBondContact O-CA 3.36Å; V502-V508 HydrophobicContact CG2-CG2 4.48Å; V508-F510 HydrophobicContact CG1-CE1 4.42Å; V508-F510 HydrophobicContact CG1-CE2 3.93Å; V508-F510 HydrophobicContact CG1-CZ 3.81Å
509	Y	84.6	Confident	82.6	Confident	54 Å²	54	78.7 Å²	78.7	21%	0.212	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	162.1	169	75.1	-81.2	0	0	0	110.7	R501 D503 V511 T518 W520	R501-Y509 HydrophobicContact CB-CD1 3.92Å; R501-Y509 HydrophobicContact CB-CD2 4.48Å; R501-Y509 HydrophobicContact CB-CE1 3.42Å; R501-Y509 VanDerWaalsContact CB-CE1 3.42Å; R501-Y509 HydrophobicContact CB-CE2 4.07Å; R501-Y509 HydrophobicContact CB-CG 4.42Å; R501-Y509 WeakPolarHBondContact CD-OH 3.09Å; R501-Y509 PolarHBondContact N-O 3.42Å; R501-Y509 PolarHBondContact O-N 2.84Å; R501-Y509 VanDerWaalsContact O-O 3.12Å; D503-Y509 HydrophobicContact CB-CD1 4.4Å; D503-Y509 HydrophobicContact CB-CE1 4.35Å; Y509-V511 HydrophobicContact CD2-CG2 4.16Å; Y509-V511 HydrophobicContact CE2-CG2 3.67Å; Y509-T518 HydrophobicContact CD2-CG2 4.46Å; Y509-T518 HydrophobicContact CE2-CG2 4.25Å; Y509-W520 HydrophobicContact CG-CZ3 4.47Å
510	F	87.4	Confident	82.4	Confident	9 Å²	9	81.5 Å²	81.5	4%	0.039	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	130.9	-173.3	-59.6	-87.8	0	0	0	110.7	L494 W498 E499 R500 V508 T518 Q519 E521 D522	L494-F510 HydrophobicContact CD1-CD1 4.14Å; L494-F510 HydrophobicContact CD1-CE1 4.41Å; L494-F510 HydrophobicContact CD2-CD1 3.86Å; L494-F510 HydrophobicContact CD2-CE1 4Å; W498-F510 HydrophobicContact CE3-CB 4.14Å; W498-F510 HydrophobicContact CZ3-CB 4.29Å; E499-F510 WeakPolarHBondContact O-CA 3.44Å; R500-F510 HydrophobicContact CB-CD1 4.1Å; R500-F510 HydrophobicContact CB-CE1 3.97Å; R500-F510 HydrophobicContact CG-CD1 4.33Å; R500-F510 HydrophobicContact CG-CE1 3.9Å; R500-F510 HydrophobicContact CG-CZ 4.47Å; V508-F510 HydrophobicContact CG1-CE1 4.42Å; V508-F510 HydrophobicContact CG1-CE2 3.93Å; V508-F510 HydrophobicContact CG1-CZ 3.81Å; F510-T518 CarbonylContact O-C 3.59Å; F510-T518 VanDerWaalsContact O-CA 3.28Å; F510-T518 WeakPolarHBondContact O-CA 3.47Å; F510-Q519 HydrophobicContact CB-CG 4.24Å; F510-Q519 PolarHBondContact N-O 2.94Å; F510-Q519 PolarHBondContact O-N 3.47Å; F510-E521 WeakPolarHBondContact CD2-O 3.5Å; F510-D522 HydrophobicContact CE2-CB 3.85Å; F510-D522 HydrophobicContact CZ-CB 3.85Å; F510-D522 VanDerWaalsContact CZ-OD2 3.31Å; F510-D522 WeakPolarHBondContact CZ-OD2 3.41Å
511	V	87.8	Confident	82	Confident	14 Å²	14	80.8 Å²	80.8	9%	0.085	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	123.8	178.9	-173.6	0	0	0	0	108.8	W498 E499 R501 Y509 T518	W498-V511 CarbonylContact C-O 3.6Å; W498-V511 WeakPolarHBondContact CA-O 3.42Å; E499-V511 HydrophobicContact CB-CB 4.42Å; E499-V511 PolarHBondContact N-O 3.18Å; E499-V511 PolarHBondContact O-N 2.99Å; R501-V511 HydrophobicContact CG-CG2 4.1Å; Y509-V511 HydrophobicContact CD2-CG2 4.16Å; Y509-V511 HydrophobicContact CE2-CG2 3.67Å; V511-T518 HydrophobicContact CB-CG2 4.38Å; V511-T518 HydrophobicContact CG1-CG2 4.21Å; V511-T518 HydrophobicContact CG2-CG2 4Å
512	N	85.7	Confident	81.5	Confident	12 Å²	12	77.2 Å²	77.2	6%	0.064	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	109	171.2	-175.4	-26.4	0	0	0	109.4	W498 N514 T515 K516 T517	W498-N512 HydrophobicContact CD2-CB 3.81Å; W498-N512 HydrophobicContact CE3-CB 3.7Å; W498-N512 HydrophobicContact CH2-CB 3.89Å; W498-N512 HydrophobicContact CZ2-CB 3.99Å; W498-N512 WeakPolarHBondContact CZ2-ND2 3.36Å; W498-N512 HydrophobicContact CZ3-CB 3.74Å; N512-N514 VanDerWaalsContact C-N 3.29Å; N512-N514 PolarHBondContact O-N 3.01Å; N512-N514 WeakPolarHBondContact OD1-CA 3.35Å; N512-N514 VanDerWaalsContact OD1-CB 3.28Å; N512-N514 WeakPolarHBondContact OD1-CB 3.29Å; N512-N514 PolarHBondContact OD1-N 3.42Å; N512-T515 VanDerWaalsContact CB-OG1 3.28Å; N512-T515 WeakPolarHBondContact CB-OG1 3.49Å; N512-T515 PolarHBondContact ND2-OG1 3.03Å; N512-T515 PolarHBondContact OD1-N 2.84Å; N512-T515 VanDerWaalsContact OD1-N 3.1Å; N512-T515 PolarHBondContact OD1-OG1 3.21Å; N512-K516 WeakPolarHBondContact O-CA 3.39Å; N512-K516 PolarHBondContact O-N 3.38Å; N512-T517 PolarHBondContact N-O 3.36Å; N512-T517 PolarHBondContact O-N 3.24Å
513	H	81.6	Confident	80.7	Confident	67 Å²	67	74.7 Å²	74.7	31%	0.31	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-16.1	178.5	-70.1	-77	0	0	0	114.1	G497 E499 K516	G497-H513 VanDerWaalsContact O-CB 3.31Å; G497-H513 WeakPolarHBondContact O-CB 3.46Å; G497-H513 PolarHBondContact O-CD2 3.3Å; G497-H513 PolarHBondContact O-N 2.97Å; E499-H513 IonicContact OE2-CD2 2.66Å; E499-H513 IonicContact OE2-CE1 3.4Å; E499-H513 PolarHBondContact OE2-CE1 3.02Å; E499-H513 IonicContact OE2-NE2 2.89Å; E499-H513 PolarHBondContact OE2-NE2 3.24Å; H513-K516 WeakPolarHBondContact O-CD 3.31Å; H513-K516 WeakPolarHBondContact O-CE 3.36Å; H513-K516 PolarHBondContact O-NZ 3.41Å
514	N	77.2	Confident	80.1	Confident	114 Å²	114	74.3 Å²	74.3	61%	0.61	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-43.5	177.6	-51.7	-33.8	0	0	0	110.4	P496 N512	P496-N514 PolarHBondContact O-ND2 3.01Å; N512-N514 VanDerWaalsContact C-N 3.29Å; N512-N514 PolarHBondContact O-N 3.01Å; N512-N514 WeakPolarHBondContact OD1-CA 3.35Å; N512-N514 VanDerWaalsContact OD1-CB 3.28Å; N512-N514 WeakPolarHBondContact OD1-CB 3.29Å; N512-N514 PolarHBondContact OD1-N 3.42Å
515	T	84.8	Confident	79.3	Confident	83 Å²	83	71.8 Å²	71.8	51%	0.509	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-11.3	179.1	55.9	0	0	0	0	114.2	N512 T517	N512-T515 VanDerWaalsContact CB-OG1 3.28Å; N512-T515 WeakPolarHBondContact CB-OG1 3.49Å; N512-T515 PolarHBondContact ND2-OG1 3.03Å; N512-T515 PolarHBondContact OD1-N 2.84Å; N512-T515 VanDerWaalsContact OD1-N 3.1Å; N512-T515 PolarHBondContact OD1-OG1 3.21Å; T515-T517 VanDerWaalsContact C-N 3.27Å; T515-T517 PolarHBondContact O-N 3.15Å; T515-T517 PolarHBondContact OG1-OG1 3.49Å
516	K	88.1	Confident	78.1	Confident	159 Å²	159	71.4 Å²	71.4	69%	0.691	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	33.1	-171.9	-52.9	-54.8	-175.2	-162.7	0	113.9	N512 H513	N512-K516 WeakPolarHBondContact O-CA 3.39Å; N512-K516 PolarHBondContact O-N 3.38Å; H513-K516 WeakPolarHBondContact O-CD 3.31Å; H513-K516 WeakPolarHBondContact O-CE 3.36Å; H513-K516 PolarHBondContact O-NZ 3.41Å
517	T	81.4	Confident	77.1	Confident	68 Å²	68	68.2 Å²	68.2	42%	0.417	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	161.3	177.8	56.3	0	0	0	0	112.3	N512 T515	N512-T517 PolarHBondContact N-O 3.36Å; N512-T517 PolarHBondContact O-N 3.24Å; T515-T517 VanDerWaalsContact C-N 3.27Å; T515-T517 PolarHBondContact O-N 3.15Å; T515-T517 PolarHBondContact OG1-OG1 3.49Å
518	T	89.3	Confident	75.7	Confident	96 Å²	96	65.6 Å²	65.6	59%	0.589	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.8	147	172.4	58.1	0	0	0	0	110.7	Y509 F510 V511	Y509-T518 HydrophobicContact CD2-CG2 4.46Å; Y509-T518 HydrophobicContact CE2-CG2 4.25Å; F510-T518 CarbonylContact O-C 3.59Å; F510-T518 VanDerWaalsContact O-CA 3.28Å; F510-T518 WeakPolarHBondContact O-CA 3.47Å; V511-T518 HydrophobicContact CB-CG2 4.38Å; V511-T518 HydrophobicContact CG1-CG2 4.21Å; V511-T518 HydrophobicContact CG2-CG2 4Å
519	Q	83.9	Confident	73.8	Confident	35 Å²	35	72 Å²	72	16%	0.164	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	163.8	178.5	64.3	-175	43.4	0	0	110.8	W498 F510 E521 Q526	W498-Q519 HydrophobicContact CH2-CG 4.4Å; W498-Q519 HydrophobicContact CZ3-CG 3.91Å; F510-Q519 HydrophobicContact CB-CG 4.24Å; F510-Q519 PolarHBondContact N-O 2.94Å; F510-Q519 PolarHBondContact O-N 3.47Å; Q519-E521 WeakPolarHBondContact CG-O 3.4Å; Q519-E521 PolarHBondContact NE2-O 3.26Å; Q519-Q526 VanDerWaalsContact NE2-NE2 3.11Å
520	W	80.6	Confident	72.1	Confident	128 Å²	128	77 Å²	77	49%	0.485	41%	0.407	S	S	.	.	S	Bend	trans	-95.3	-27.6	179.5	-61.3	96.3	0	0	0	111.8	R507 Y509	R507-W520 HydrophobicContact CB-CZ3 3.98Å; R507-W520 VanDerWaalsContact NH2-CH2 3.33Å; Y509-W520 HydrophobicContact CG-CZ3 4.47Å
521	E	73.6	Confident	70.6	Confident	107 Å²	107	80.1 Å²	80.1	50%	0.5	42%	0.422	S	S	.	.	S	Bend	trans	-78	141.8	-179.6	-56.4	70.1	-156.5	0	0	110.7	F510 Q519 Q526	F510-E521 WeakPolarHBondContact CD2-O 3.5Å; Q519-E521 WeakPolarHBondContact CG-O 3.4Å; Q519-E521 PolarHBondContact NE2-O 3.26Å; E521-Q526 HydrophobicContact CB-CG 4.41Å
522	D	72.4	Confident	69.3	Low	22 Å²	22	85.3 Å²	85.3	12%	0.118	45%	0.449	C	S	.	.			trans	-72.7	124.9	-179	-166.1	-47.5	0	0	0	111.1	F510 R524 T525 Q526	F510-D522 HydrophobicContact CE2-CB 3.85Å; F510-D522 HydrophobicContact CZ-CB 3.85Å; F510-D522 VanDerWaalsContact CZ-OD2 3.31Å; F510-D522 WeakPolarHBondContact CZ-OD2 3.41Å; D522-R524 PolarHBondContact O-N 2.73Å; D522-R524 VanDerWaalsContact OD1-CB 3.26Å; D522-R524 WeakPolarHBondContact OD1-CB 2.95Å; D522-R524 IonicContact OD1-CZ 2.98Å; D522-R524 PolarHBondContact OD1-N 2.82Å; D522-R524 IonicContact OD1-NE 3.88Å; D522-R524 PolarHBondContact OD1-NE 3.31Å; D522-R524 IonicContact OD1-NH2 2.68Å; D522-R524 PolarHBondContact OD1-NH2 2.85Å; D522-R524 IonicContact OD2-CZ 3.55Å; D522-R524 IonicContact OD2-NE 3.85Å; D522-R524 PolarHBondContact OD2-NE 3.38Å; D522-R524 IonicContact OD2-NH2 3.35Å; D522-R524 PolarHBondContact OD2-NH2 3.11Å; D522-T525 HydrophobicContact CB-CG2 3.97Å; D522-T525 PolarHBondContact O-N 3.45Å; D522-T525 PolarHBondContact O-OG1 3.08Å; D522-Q526 PolarHBondContact O-N 3.22Å
523	P	68.9	Low	68.5	Low	19 Å²	19	90.2 Å²	90.2	12%	0.123	48%	0.482	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-16	178.7	28.8	-38.1	0	0	0	113.6	L494 W498	L494-P523 HydrophobicContact CD2-CG 3.52Å; W498-P523 HydrophobicContact CD2-CB 3.8Å; W498-P523 HydrophobicContact CD2-CG 3.72Å; W498-P523 HydrophobicContact CE3-CB 3.88Å; W498-P523 HydrophobicContact CE3-CG 3.66Å; W498-P523 HydrophobicContact CG-CB 4.49Å; W498-P523 HydrophobicContact CG-CG 4.16Å; W498-P523 HydrophobicContact CH2-CB 3.8Å; W498-P523 HydrophobicContact CH2-CG 4.46Å; W498-P523 HydrophobicContact CZ2-CB 3.72Å; W498-P523 HydrophobicContact CZ3-CB 3.88Å; W498-P523 HydrophobicContact CZ3-CG 4.05Å
524	R	68.8	Low	68.1	Low	27 Å²	27	89.5 Å²	89.5	10%	0.102	48%	0.48	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-21.6	173	-61.4	159.9	-68.6	-167.7	2.3	112.8	D489 L491 G492 P495 D522	D489-R524 VanDerWaalsContact CG-CZ 3.48Å; D489-R524 VanDerWaalsContact CG-NH2 3.32Å; D489-R524 IonicContact OD1-CZ 2.75Å; D489-R524 IonicContact OD1-NH1 3.37Å; D489-R524 PolarHBondContact OD1-NH1 2.88Å; D489-R524 IonicContact OD1-NH2 2.75Å; D489-R524 PolarHBondContact OD1-NH2 3.19Å; D489-R524 IonicContact OD2-CZ 2.84Å; D489-R524 VanDerWaalsContact OD2-CZ 3.24Å; D489-R524 IonicContact OD2-NH1 2.68Å; D489-R524 PolarHBondContact OD2-NH1 2.85Å; D489-R524 IonicContact OD2-NH2 3.18Å; D489-R524 PolarHBondContact OD2-NH2 3.13Å; L491-R524 HydrophobicContact CB-CB 3.93Å; L491-R524 HydrophobicContact CB-CG 4.43Å; L491-R524 HydrophobicContact CD1-CB 4.01Å; G492-R524 PolarHBondContact O-NH1 3.45Å; P495-R524 HydrophobicContact CG-CG 4.45Å; D522-R524 PolarHBondContact O-N 2.73Å; D522-R524 VanDerWaalsContact OD1-CB 3.26Å; D522-R524 WeakPolarHBondContact OD1-CB 2.95Å; D522-R524 IonicContact OD1-CZ 2.98Å; D522-R524 PolarHBondContact OD1-N 2.82Å; D522-R524 IonicContact OD1-NE 3.88Å; D522-R524 PolarHBondContact OD1-NE 3.31Å; D522-R524 IonicContact OD1-NH2 2.68Å; D522-R524 PolarHBondContact OD1-NH2 2.85Å; D522-R524 IonicContact OD2-CZ 3.55Å; D522-R524 IonicContact OD2-NE 3.85Å; D522-R524 PolarHBondContact OD2-NE 3.38Å; D522-R524 IonicContact OD2-NH2 3.35Å; D522-R524 PolarHBondContact OD2-NH2 3.11Å
525	T	63.2	Low	68.3	Low	65 Å²	65	86.8 Å²	86.8	40%	0.399	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-22.1	174.5	64.4	0	0	0	0	113.7	L491 D522 G527 L528	L491-T525 HydrophobicContact CD1-CG2 3.51Å; D522-T525 HydrophobicContact CB-CG2 3.97Å; D522-T525 PolarHBondContact O-N 3.45Å; D522-T525 PolarHBondContact O-OG1 3.08Å; T525-G527 PolarHBondContact O-N 2.96Å; T525-L528 PolarHBondContact O-N 3.09Å
526	Q	52.9	Low	67.7	Low	100 Å²	100	89.2 Å²	89.2	47%	0.467	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	101	178.8	-74.8	177.3	-24.7	0	0	110.5	Q519 E521 D522	Q519-Q526 VanDerWaalsContact NE2-NE2 3.11Å; E521-Q526 HydrophobicContact CB-CG 4.41Å; D522-Q526 PolarHBondContact O-N 3.22Å
527	G	51.4	Low	67	Low	77 Å²	77	81.7 Å²	81.7	79%	0.794	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.8	-2.9	-175.4	0	0	0	0	0	115.3	T525	T525-G527 PolarHBondContact O-N 2.96Å
528	L	45.9	Very low	66.9	Low	71 Å²	71	80.9 Å²	80.9	37%	0.372	43%	0.431	S	S	.	.			trans	-94.3	6.9	-172.1	-135.2	78.8	0	0	0	115.3	T525 N530 E531	T525-L528 PolarHBondContact O-N 3.09Å; L528-N530 PolarHBondContact O-N 3.29Å; L528-E531 HydrophobicContact CG-CB 4.49Å
529	Q	40.9	Very low	66.3	Low	186 Å²	186	77.3 Å²	77.3	87%	0.869	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-3	-171.9	-77.9	178	-30.8	0	0	116
530	N	47.8	Very low	66	Low	159 Å²	159	77.8 Å²	77.8	85%	0.85	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.5	16.3	-175.7	-70.6	-29.7	0	0	0	113.8	L528	L528-N530 PolarHBondContact O-N 3.29Å
531	E	56.7	Low	65.6	Low	74 Å²	74	73.6 Å²	73.6	35%	0.346	40%	0.395	S	S	.	.			trans	-115	119.6	-175.5	-73.3	-97.1	132	0	0	110.7	L528 R564	L528-E531 HydrophobicContact CG-CB 4.49Å; E531-R564 IonicContact OE2-CZ 3.54Å; E531-R564 VanDerWaalsContact OE2-CZ 3.3Å; E531-R564 IonicContact OE2-NH1 3.5Å; E531-R564 PolarHBondContact OE2-NH1 2.69Å; E531-R564 IonicContact OE2-NH2 3.24Å; E531-R564 PolarHBondContact OE2-NH2 2.87Å
532	D	60.4	Low	65.7	Low	123 Å²	123	72.1 Å²	72.1	66%	0.658	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-59	155.8	179.6	-71.9	-58	0	0	0	113	R564	D532-R564 WeakPolarHBondContact O-CD 3.45Å; D532-R564 PolarHBondContact O-NH1 3.25Å
533	P	69.4	Low	65.6	Low	115 Å²	115	72.5 Å²	72.5	75%	0.747	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-58.9	153.1	172	26.1	-35.1	0	0	0	112	R564	P533-R564 WeakPolarHBondContact O-CD 3.41Å
534	L	73.5	Confident	65.5	Low	51 Å²	51	83.4 Å²	83.4	27%	0.267	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-62.3	147.7	172.8	-70	167.3	0	0	0	110.9	W538 I540 F550 P563 R564	L534-W538 HydrophobicContact CB-CB 4.25Å; L534-I540 HydrophobicContact CD1-CD1 3.89Å; L534-I540 HydrophobicContact CD1-CG1 3.82Å; L534-I540 HydrophobicContact CD2-CD1 4.08Å; L534-I540 HydrophobicContact CD2-CG1 4.18Å; L534-I540 HydrophobicContact CG-CD1 4.29Å; L534-F550 HydrophobicContact CD2-CD1 4.21Å; L534-F550 HydrophobicContact CD2-CE1 4.29Å; L534-P563 HydrophobicContact CD2-CG 3.95Å; L534-R564 HydrophobicContact CD2-CG 4.48Å
535	P	80.9	Confident	65.7	Low	57 Å²	57	89.1 Å²	89.1	37%	0.37	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-60.1	157.4	169.4	-21.1	34	0	0	0	111.9	G537 W538 P563	P535-G537 PolarHBondContact O-N 3.34Å; P535-W538 WeakPolarHBondContact O-CB 3.28Å; P535-W538 PolarHBondContact O-N 3.27Å; P535-P563 HydrophobicContact CG-CB 4.19Å; P535-P563 HydrophobicContact CG-CG 4.4Å
536	E	72.2	Confident	65.8	Low	134 Å²	134	87.6 Å²	87.6	63%	0.626	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	134.2	-178.6	-162.7	-179.5	151.9	0	0	111.6	N554 Q825	E536-N554 PolarHBondContact O-ND2 3.13Å; E536-Q825 PolarHBondContact OE1-NE2 3.27Å
537	G	73.4	Confident	66.9	Low	2 Å²	2	85.2 Å²	85.2	2%	0.021	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	10.4	-178.3	0	0	0	0	0	116.4	P535 H553 Y826	P535-G537 PolarHBondContact O-N 3.34Å; G537-H553 WeakPolarHBondContact O-CB 3.35Å; G537-H553 PolarHBondContact O-CD2 2.81Å; G537-H553 VanDerWaalsContact O-CD2 3.24Å; G537-H553 PolarHBondContact O-N 2.94Å; G537-Y826 VanDerWaalsContact CA-OH 3.24Å; G537-Y826 WeakPolarHBondContact CA-OH 3.19Å; G537-Y826 PolarHBondContact N-OH 3.44Å
538	W	78.1	Confident	68.2	Low	51 Å²	51	85.6 Å²	85.6	19%	0.193	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	136.2	175.1	-71.4	73.7	0	0	0	113.5	L534 P535 F550 V551 D552 T559 P563	L534-W538 HydrophobicContact CB-CB 4.25Å; P535-W538 WeakPolarHBondContact O-CB 3.28Å; P535-W538 PolarHBondContact O-N 3.27Å; W538-F550 HydrophobicContact CE3-CB 3.96Å; W538-F550 HydrophobicContact CZ3-CB 3.98Å; W538-V551 CarbonylContact C-O 3.58Å; W538-V551 VanDerWaalsContact CA-O 3.3Å; W538-V551 WeakPolarHBondContact CA-O 3.29Å; W538-D552 HydrophobicContact CD2-CB 3.95Å; W538-D552 HydrophobicContact CE3-CB 4.07Å; W538-D552 HydrophobicContact CH2-CB 3.85Å; W538-D552 HydrophobicContact CZ2-CB 3.67Å; W538-D552 HydrophobicContact CZ3-CB 4.04Å; W538-T559 HydrophobicContact CH2-CG2 4.08Å; W538-T559 HydrophobicContact CZ3-CG2 3.73Å; W538-P563 HydrophobicContact CD2-CB 3.76Å; W538-P563 HydrophobicContact CD2-CG 3.72Å; W538-P563 HydrophobicContact CE3-CB 3.75Å; W538-P563 HydrophobicContact CE3-CG 3.53Å; W538-P563 HydrophobicContact CG-CB 4.45Å; W538-P563 HydrophobicContact CG-CG 4.16Å; W538-P563 HydrophobicContact CH2-CB 3.88Å; W538-P563 HydrophobicContact CZ2-CB 3.91Å; W538-P563 HydrophobicContact CZ3-CB 3.8Å; W538-P563 HydrophobicContact CZ3-CG 3.96Å
539	E	77.3	Confident	69.9	Low	20 Å²	20	83.1 Å²	83.1	9%	0.093	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	139.5	176.3	176.3	-172.2	-167.8	0	0	110.3	R541 F550 V551 H553 S581 W584	E539-R541 HydrophobicContact CG-CG 3.92Å; E539-R541 WeakPolarHBondContact OE1-CG 3.29Å; E539-R541 IonicContact OE1-CZ 3.43Å; E539-R541 IonicContact OE1-NE 3.43Å; E539-R541 PolarHBondContact OE1-NE 2.8Å; E539-R541 IonicContact OE2-CZ 3.19Å; E539-R541 IonicContact OE2-NE 3.87Å; E539-R541 PolarHBondContact OE2-NE 2.9Å; E539-F550 CarbonylContact O-C 3.59Å; E539-F550 WeakPolarHBondContact O-CA 3.08Å; E539-V551 HydrophobicContact CB-CB 4.25Å; E539-V551 PolarHBondContact N-O 3.15Å; E539-V551 PolarHBondContact O-N 3.02Å; E539-H553 WeakPolarHBondContact CB-NE2 3.42Å; E539-H553 IonicContact OE2-CE1 3.77Å; E539-H553 PolarHBondContact OE2-CE1 3.01Å; E539-H553 IonicContact OE2-NE2 2.84Å; E539-H553 PolarHBondContact OE2-NE2 3.33Å; E539-S581 PolarHBondContact OE1-OG 2.89Å; E539-S581 WeakPolarHBondContact OE2-CB 3.16Å; E539-S581 PolarHBondContact OE2-OG 3.21Å; E539-W584 HydrophobicContact CB-CD2 4.26Å; E539-W584 HydrophobicContact CB-CG 4.13Å; E539-W584 HydrophobicContact CG-CB 4.45Å; E539-W584 VanDerWaalsContact CG-CD1 3.4Å; E539-W584 HydrophobicContact CG-CG 3.9Å
540	I	76.6	Confident	72	Confident	45 Å²	45	74.3 Å²	74.3	23%	0.231	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	131.6	166	-77	165.6	0	0	0	109.2	L534 Y542 R548 F550	L534-I540 HydrophobicContact CD1-CD1 3.89Å; L534-I540 HydrophobicContact CD1-CG1 3.82Å; L534-I540 HydrophobicContact CD2-CD1 4.08Å; L534-I540 HydrophobicContact CD2-CG1 4.18Å; L534-I540 HydrophobicContact CG-CD1 4.29Å; I540-Y542 HydrophobicContact CG2-CE2 4.12Å; I540-R548 HydrophobicContact CG2-CG 4.04Å; I540-F550 HydrophobicContact CD1-CD1 4.4Å; I540-F550 HydrophobicContact CD1-CE1 3.87Å; I540-F550 HydrophobicContact CG1-CD1 3.57Å; I540-F550 HydrophobicContact CG1-CE1 3.48Å; I540-F550 VanDerWaalsContact CG1-CE1 3.48Å; I540-F550 HydrophobicContact CG1-CZ 4.48Å
541	R	73	Confident	73.5	Confident	40 Å²	40	66.8 Å²	66.8	15%	0.151	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	171.9	174.8	-74.9	-178.2	161.4	-148.1	-5.1	111.9	E539 R548 Y549 V551 E579 S581	E539-R541 HydrophobicContact CG-CG 3.92Å; E539-R541 WeakPolarHBondContact OE1-CG 3.29Å; E539-R541 IonicContact OE1-CZ 3.43Å; E539-R541 IonicContact OE1-NE 3.43Å; E539-R541 PolarHBondContact OE1-NE 2.8Å; E539-R541 IonicContact OE2-CZ 3.19Å; E539-R541 IonicContact OE2-NE 3.87Å; E539-R541 PolarHBondContact OE2-NE 2.9Å; R541-R548 WeakPolarHBondContact O-CA 3.41Å; R541-Y549 HydrophobicContact CB-CD1 4.05Å; R541-Y549 HydrophobicContact CB-CD2 4.29Å; R541-Y549 HydrophobicContact CB-CE1 3.55Å; R541-Y549 HydrophobicContact CB-CE2 3.82Å; R541-Y549 HydrophobicContact CB-CG 4.41Å; R541-Y549 VanDerWaalsContact CB-CZ 3.43Å; R541-Y549 WeakPolarHBondContact CD-OH 3.47Å; R541-Y549 PolarHBondContact N-O 3.24Å; R541-Y549 PolarHBondContact NH1-OH 3.45Å; R541-Y549 PolarHBondContact O-N 3.29Å; R541-Y549 VanDerWaalsContact O-O 3.06Å; R541-V551 HydrophobicContact CG-CG2 4.49Å; R541-E579 IonicContact CZ-OE2 3.07Å; R541-E579 VanDerWaalsContact CZ-OE2 3.24Å; R541-E579 IonicContact NH1-OE2 3.86Å; R541-E579 PolarHBondContact NH1-OE2 2.85Å; R541-E579 IonicContact NH2-OE2 3.32Å; R541-E579 PolarHBondContact NH2-OE2 2.98Å; R541-S581 VanDerWaalsContact NH2-CB 3.31Å; R541-S581 PolarHBondContact NH2-OG 3.42Å
542	Y	74.9	Confident	74.8	Confident	77 Å²	77	63.9 Å²	63.9	30%	0.302	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	144.3	175.2	-60.5	-88.3	0	0	0	110	P493 I540 G546 V547 R548	P493-Y542 HydrophobicContact CG-CD2 4.42Å; I540-Y542 HydrophobicContact CG2-CE2 4.12Å; Y542-G546 WeakPolarHBondContact CD1-O 3.04Å; Y542-V547 CarbonylContact C-O 3.57Å; Y542-V547 VanDerWaalsContact CA-O 3.27Å; Y542-V547 WeakPolarHBondContact CA-O 3.48Å; Y542-R548 HydrophobicContact CD1-CB 3.98Å; Y542-R548 HydrophobicContact CE1-CB 3.72Å; Y542-R548 HydrophobicContact CE1-CG 4.05Å; Y542-R548 PolarHBondContact OH-NE 2.98Å; Y542-R548 VanDerWaalsContact OH-NE 3.16Å; Y542-R548 PolarHBondContact OH-NH2 3.37Å
543	T	71.4	Confident	75.6	Confident	29 Å²	29	58.5 Å²	58.5	18%	0.178	28%	0.284	C	S	.	.			trans	-73.1	174.3	171.2	73.9	0	0	0	0	111	E545 G546 V547 Y549 I576	T543-E545 WeakPolarHBondContact CB-OE2 3.5Å; T543-E545 PolarHBondContact O-N 2.81Å; T543-E545 VanDerWaalsContact O-N 3.17Å; T543-E545 PolarHBondContact OG1-N 2.79Å; T543-E545 PolarHBondContact OG1-OE2 3.22Å; T543-G546 PolarHBondContact O-N 3.18Å; T543-V547 HydrophobicContact CG2-CB 4.12Å; T543-V547 PolarHBondContact N-O 3.17Å; T543-V547 PolarHBondContact OG1-N 2.96Å; T543-Y549 HydrophobicContact CG2-CD1 3.91Å; T543-Y549 HydrophobicContact CG2-CE1 4.1Å; T543-I576 HydrophobicContact CG2-CD1 3.63Å
544	R	67.5	Low	76.1	Confident	249 Å²	249	57 Å²	57	94%	0.94	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-24	175.8	-66.1	-179.2	177.6	-172.5	-1.1	112.5	G546	R544-G546 VanDerWaalsContact C-N 3.31Å
545	E	71.8	Confident	76.4	Confident	147 Å²	147	58.6 Å²	58.6	69%	0.687	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	2.7	177.1	-49.9	69.5	-148.1	0	0	112.3	T543 V547	T543-E545 WeakPolarHBondContact CB-OE2 3.5Å; T543-E545 PolarHBondContact O-N 2.81Å; T543-E545 VanDerWaalsContact O-N 3.17Å; T543-E545 PolarHBondContact OG1-N 2.79Å; T543-E545 PolarHBondContact OG1-OE2 3.22Å; E545-V547 HydrophobicContact CB-CG2 4.42Å
546	G	65.8	Low	76.3	Confident	32 Å²	32	61.6 Å²	61.6	33%	0.33	29%	0.286	S	S	.	.			trans	81	10.7	178.7	0	0	0	0	0	115.3	Y542 T543 R544	Y542-G546 WeakPolarHBondContact CD1-O 3.04Å; T543-G546 PolarHBondContact O-N 3.18Å; R544-G546 VanDerWaalsContact C-N 3.31Å
547	V	76.4	Confident	76.7	Confident	50 Å²	50	58.4 Å²	58.4	30%	0.303	28%	0.275	S	S	.	.			trans	-78.7	124.5	-178.4	-178.5	0	0	0	0	110.3	Y542 T543 E545 F560 V570	Y542-V547 CarbonylContact C-O 3.57Å; Y542-V547 VanDerWaalsContact CA-O 3.27Å; Y542-V547 WeakPolarHBondContact CA-O 3.48Å; T543-V547 HydrophobicContact CG2-CB 4.12Å; T543-V547 PolarHBondContact N-O 3.17Å; T543-V547 PolarHBondContact OG1-N 2.96Å; E545-V547 HydrophobicContact CB-CG2 4.42Å; V547-F560 HydrophobicContact CG1-CD1 4.07Å; V547-F560 HydrophobicContact CG1-CE1 3.87Å; V547-V570 HydrophobicContact CG1-CG2 3.45Å; V547-V570 VanDerWaalsContact CG1-CG2 3.45Å
548	R	77.9	Confident	77.3	Confident	85 Å²	85	59.8 Å²	59.8	32%	0.321	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	134.2	177.4	-172.9	178.8	-70.9	169.7	-0.1	111.3	I540 R541 Y542 F550 F560 S569	I540-R548 HydrophobicContact CG2-CG 4.04Å; R541-R548 WeakPolarHBondContact O-CA 3.41Å; Y542-R548 HydrophobicContact CD1-CB 3.98Å; Y542-R548 HydrophobicContact CE1-CB 3.72Å; Y542-R548 HydrophobicContact CE1-CG 4.05Å; Y542-R548 PolarHBondContact OH-NE 2.98Å; Y542-R548 VanDerWaalsContact OH-NE 3.16Å; Y542-R548 PolarHBondContact OH-NH2 3.37Å; R548-F550 HydrophobicContact CG-CE2 4.36Å; R548-F550 HydrophobicContact CG-CZ 4.32Å; R548-F560 WeakPolarHBondContact O-CD1 3.42Å; R548-S569 WeakPolarHBondContact O-CB 3.44Å
549	Y	82.4	Confident	77.5	Confident	20 Å²	20	59.2 Å²	59.2	8%	0.078	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	169.2	166.3	71.3	-83.9	0	0	0	110.5	R541 T543 V551 I576	R541-Y549 HydrophobicContact CB-CD1 4.05Å; R541-Y549 HydrophobicContact CB-CD2 4.29Å; R541-Y549 HydrophobicContact CB-CE1 3.55Å; R541-Y549 HydrophobicContact CB-CE2 3.82Å; R541-Y549 HydrophobicContact CB-CG 4.41Å; R541-Y549 VanDerWaalsContact CB-CZ 3.43Å; R541-Y549 WeakPolarHBondContact CD-OH 3.47Å; R541-Y549 PolarHBondContact N-O 3.24Å; R541-Y549 PolarHBondContact NH1-OH 3.45Å; R541-Y549 PolarHBondContact O-N 3.29Å; R541-Y549 VanDerWaalsContact O-O 3.06Å; T543-Y549 HydrophobicContact CG2-CD1 3.91Å; T543-Y549 HydrophobicContact CG2-CE1 4.1Å; Y549-V551 HydrophobicContact CD2-CG2 3.99Å; Y549-V551 HydrophobicContact CE2-CG2 3.56Å; Y549-I576 HydrophobicContact CD1-CD1 3.48Å; Y549-I576 VanDerWaalsContact CD1-CD1 3.48Å; Y549-I576 HydrophobicContact CD2-CD1 3.82Å; Y549-I576 HydrophobicContact CD2-CG2 4.37Å; Y549-I576 HydrophobicContact CE1-CD1 3.8Å; Y549-I576 HydrophobicContact CE2-CD1 4.12Å; Y549-I576 HydrophobicContact CE2-CG2 3.84Å; Y549-I576 HydrophobicContact CG-CD1 3.48Å; Y549-I576 VanDerWaalsContact CG-CD1 3.48Å
550	F	83.9	Confident	77.9	Confident	1 Å²	1	59.2 Å²	59.2	0%	0.004	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	143.2	-177.1	-54.9	-97.4	0	0	0	109.1	L534 W538 E539 I540 R548 T558 T559 S561 D562 P563	L534-F550 HydrophobicContact CD2-CD1 4.21Å; L534-F550 HydrophobicContact CD2-CE1 4.29Å; W538-F550 HydrophobicContact CE3-CB 3.96Å; W538-F550 HydrophobicContact CZ3-CB 3.98Å; E539-F550 CarbonylContact O-C 3.59Å; E539-F550 WeakPolarHBondContact O-CA 3.08Å; I540-F550 HydrophobicContact CD1-CD1 4.4Å; I540-F550 HydrophobicContact CD1-CE1 3.87Å; I540-F550 HydrophobicContact CG1-CD1 3.57Å; I540-F550 HydrophobicContact CG1-CE1 3.48Å; I540-F550 VanDerWaalsContact CG1-CE1 3.48Å; I540-F550 HydrophobicContact CG1-CZ 4.48Å; R548-F550 HydrophobicContact CG-CE2 4.36Å; R548-F550 HydrophobicContact CG-CZ 4.32Å; F550-T558 CarbonylContact O-C 3.51Å; F550-T558 VanDerWaalsContact O-CA 3.28Å; F550-T558 WeakPolarHBondContact O-CA 3.28Å; F550-T559 HydrophobicContact CB-CG2 4.25Å; F550-T559 PolarHBondContact N-O 2.84Å; F550-T559 PolarHBondContact O-N 3.19Å; F550-S561 WeakPolarHBondContact CD2-O 3.2Å; F550-D562 HydrophobicContact CE1-CB 4.02Å; F550-D562 WeakPolarHBondContact CE1-OD2 3.29Å; F550-D562 VanDerWaalsContact CE2-CA 3.46Å; F550-D562 HydrophobicContact CE2-CB 3.83Å; F550-D562 VanDerWaalsContact CZ-CA 3.49Å; F550-D562 HydrophobicContact CZ-CB 3.47Å; F550-D562 VanDerWaalsContact CZ-CB 3.47Å; F550-D562 VanDerWaalsContact CZ-CG 3.47Å; F550-D562 WeakPolarHBondContact CZ-OD2 3.39Å; F550-P563 VanDerWaalsContact CD1-CD 3.47Å; F550-P563 HydrophobicContact CD1-CG 4.37Å
551	V	80.1	Confident	78.3	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.006	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	131.5	176.9	-178.6	0	0	0	0	108.3	W538 E539 R541 Y549 T558 Y578	W538-V551 CarbonylContact C-O 3.58Å; W538-V551 VanDerWaalsContact CA-O 3.3Å; W538-V551 WeakPolarHBondContact CA-O 3.29Å; E539-V551 HydrophobicContact CB-CB 4.25Å; E539-V551 PolarHBondContact N-O 3.15Å; E539-V551 PolarHBondContact O-N 3.02Å; R541-V551 HydrophobicContact CG-CG2 4.49Å; Y549-V551 HydrophobicContact CD2-CG2 3.99Å; Y549-V551 HydrophobicContact CE2-CG2 3.56Å; V551-T558 HydrophobicContact CG2-CG2 4.12Å; V551-Y578 HydrophobicContact CG1-CD2 3.54Å; V551-Y578 HydrophobicContact CG1-CE2 3.46Å; V551-Y578 VanDerWaalsContact CG1-CE2 3.46Å
552	D	83.6	Confident	78.8	Confident	12 Å²	12	57.8 Å²	57.8	6%	0.064	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	105.7	173.1	178.1	10.4	0	0	0	109.1	W538 N554 T555 R556 T557	W538-D552 HydrophobicContact CD2-CB 3.95Å; W538-D552 HydrophobicContact CE3-CB 4.07Å; W538-D552 HydrophobicContact CH2-CB 3.85Å; W538-D552 HydrophobicContact CZ2-CB 3.67Å; W538-D552 HydrophobicContact CZ3-CB 4.04Å; D552-N554 PolarHBondContact O-N 2.59Å; D552-N554 WeakPolarHBondContact OD1-CA 3.24Å; D552-N554 WeakPolarHBondContact OD1-CB 3.34Å; D552-N554 PolarHBondContact OD1-N 2.86Å; D552-N554 PolarHBondContact OD1-ND2 3.04Å; D552-T555 VanDerWaalsContact CG-OG1 3.25Å; D552-T555 PolarHBondContact OD1-N 2.92Å; D552-T555 WeakPolarHBondContact OD2-CB 3.11Å; D552-T555 WeakPolarHBondContact OD2-CG2 3.2Å; D552-T555 PolarHBondContact OD2-N 3.29Å; D552-T555 PolarHBondContact OD2-OG1 3.15Å; D552-R556 VanDerWaalsContact O-CA 3.27Å; D552-R556 WeakPolarHBondContact O-CA 3.28Å; D552-R556 PolarHBondContact O-N 2.84Å; D552-T557 PolarHBondContact N-O 3.04Å; D552-T557 PolarHBondContact O-N 3.18Å
553	H	77.3	Confident	79.1	Confident	10 Å²	10	56.1 Å²	56.1	5%	0.046	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-14.8	178	-58.5	-64.3	0	0	0	112.9	G537 E539 Y578 W584 Y826	G537-H553 WeakPolarHBondContact O-CB 3.35Å; G537-H553 PolarHBondContact O-CD2 2.81Å; G537-H553 VanDerWaalsContact O-CD2 3.24Å; G537-H553 PolarHBondContact O-N 2.94Å; E539-H553 WeakPolarHBondContact CB-NE2 3.42Å; E539-H553 IonicContact OE2-CE1 3.77Å; E539-H553 PolarHBondContact OE2-CE1 3.01Å; E539-H553 IonicContact OE2-NE2 2.84Å; E539-H553 PolarHBondContact OE2-NE2 3.33Å; H553-Y578 AromaticContact ND1-CE2 3.54Å; H553-Y578 AromaticContact ND1-CZ 3.67Å; H553-Y578 PolarHBondContact ND1-OH 2.56Å; H553-W584 AromaticContact CD2-CD2 3.92Å; H553-W584 AromaticContact CD2-CE3 3.43Å; H553-W584 VanDerWaalsContact CD2-CE3 3.43Å; H553-W584 AromaticContact CD2-CH2 3.67Å; H553-W584 AromaticContact CD2-CZ3 3.31Å; H553-W584 WeakPolarHBondContact CD2-CZ3 3.22Å; H553-W584 AromaticContact NE2-CD2 3.55Å; H553-W584 AromaticContact NE2-CE3 3.38Å; H553-W584 AromaticContact NE2-CZ3 3.81Å; H553-Y826 HydrophobicContact CB-CD1 4.13Å; H553-Y826 HydrophobicContact CB-CE1 4.28Å
554	N	79.3	Confident	79.6	Confident	83 Å²	83	57.7 Å²	57.7	44%	0.444	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-46.7	177.7	-45.4	-74.7	0	0	0	110.8	E536 D552 Y826	E536-N554 PolarHBondContact O-ND2 3.13Å; D552-N554 PolarHBondContact O-N 2.59Å; D552-N554 WeakPolarHBondContact OD1-CA 3.24Å; D552-N554 WeakPolarHBondContact OD1-CB 3.34Å; D552-N554 PolarHBondContact OD1-N 2.86Å; D552-N554 PolarHBondContact OD1-ND2 3.04Å; N554-Y826 WeakPolarHBondContact OD1-CE1 3.25Å; N554-Y826 PolarHBondContact OD1-OH 3Å
555	T	81.4	Confident	80.2	Confident	85 Å²	85	48.5 Å²	48.5	52%	0.521	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-8.7	174.9	62.3	0	0	0	0	114.3	D552 T557	D552-T555 VanDerWaalsContact CG-OG1 3.25Å; D552-T555 PolarHBondContact OD1-N 2.92Å; D552-T555 WeakPolarHBondContact OD2-CB 3.11Å; D552-T555 WeakPolarHBondContact OD2-CG2 3.2Å; D552-T555 PolarHBondContact OD2-N 3.29Å; D552-T555 PolarHBondContact OD2-OG1 3.15Å; T555-T557 WeakPolarHBondContact OG1-CG2 3.47Å; T555-T557 PolarHBondContact OG1-OG1 2.83Å
556	R	76.9	Confident	80.4	Confident	121 Å²	121	44.2 Å²	44.2	46%	0.457	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	45.5	-171.5	-54	179.6	-179.6	-171.3	-1.8	112.3	D552 Y578 E952	D552-R556 VanDerWaalsContact O-CA 3.27Å; D552-R556 WeakPolarHBondContact O-CA 3.28Å; D552-R556 PolarHBondContact O-N 2.84Å; R556-Y578 VanDerWaalsContact C-CG 3.5Å; R556-Y578 HydrophobicContact CB-CD1 3.99Å; R556-Y578 HydrophobicContact CB-CD2 4.36Å; R556-Y578 HydrophobicContact CB-CE1 3.92Å; R556-Y578 HydrophobicContact CB-CE2 4.31Å; R556-Y578 HydrophobicContact CB-CG 4.21Å; R556-Y578 HydrophobicContact CG-CE1 4.18Å; R556-Y578 VanDerWaalsContact O-CB 3.3Å; R556-Y578 WeakPolarHBondContact O-CB 3.37Å; R556-E952 IonicContact CZ-OE2 3.42Å; R556-E952 IonicContact NH1-OE2 3.49Å; R556-E952 PolarHBondContact NH1-OE2 2.77Å; R556-E952 IonicContact NH2-OE2 3.49Å; R556-E952 PolarHBondContact NH2-OE2 2.76Å
557	T	81.7	Confident	80.9	Confident	66 Å²	66	49.5 Å²	49.5	41%	0.405	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	172.4	-178	68.2	0	0	0	0	113.4	D552 T555	D552-T557 PolarHBondContact N-O 3.04Å; D552-T557 PolarHBondContact O-N 3.18Å; T555-T557 WeakPolarHBondContact OG1-CG2 3.47Å; T555-T557 PolarHBondContact OG1-OG1 2.83Å
558	T	85.2	Confident	80.9	Confident	31 Å²	31	49.8 Å²	49.8	19%	0.19	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	156.2	172.1	81.5	0	0	0	0	111	F550 V551 I576	F550-T558 CarbonylContact O-C 3.51Å; F550-T558 VanDerWaalsContact O-CA 3.28Å; F550-T558 WeakPolarHBondContact O-CA 3.28Å; V551-T558 HydrophobicContact CG2-CG2 4.12Å; T558-I576 HydrophobicContact CG2-CG2 4.42Å; T558-I576 PolarHBondContact OG1-O 2.91Å
559	T	83.2	Confident	80.3	Confident	40 Å²	40	48.7 Å²	48.7	25%	0.245	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	156.1	176.6	179.6	0	0	0	0	111.6	W538 F550 S561	W538-T559 HydrophobicContact CH2-CG2 4.08Å; W538-T559 HydrophobicContact CZ3-CG2 3.73Å; F550-T559 HydrophobicContact CB-CG2 4.25Å; F550-T559 PolarHBondContact N-O 2.84Å; F550-T559 PolarHBondContact O-N 3.19Å; T559-S561 WeakPolarHBondContact CG2-O 3.48Å; T559-S561 PolarHBondContact OG1-N 3.2Å; T559-S561 VanDerWaalsContact OG1-N 3.09Å
560	F	85.9	Confident	79.7	Confident	19 Å²	19	49.9 Å²	49.9	8%	0.083	29%	0.285	C	S	.	.	S	Bend	trans	-88.2	-10.7	170.1	-64.4	-87.3	0	0	0	112.8	V547 R548 S568 S569 V570 P574 I576	V547-F560 HydrophobicContact CG1-CD1 4.07Å; V547-F560 HydrophobicContact CG1-CE1 3.87Å; R548-F560 WeakPolarHBondContact O-CD1 3.42Å; F560-S568 WeakPolarHBondContact CB-OG 3.49Å; F560-S568 WeakPolarHBondContact O-CA 3.43Å; F560-S569 PolarHBondContact O-N 3.13Å; F560-V570 HydrophobicContact CD1-CB 4.29Å; F560-V570 HydrophobicContact CD1-CG2 3.62Å; F560-V570 HydrophobicContact CE1-CG2 4.01Å; F560-V570 HydrophobicContact CG-CB 4.3Å; F560-V570 HydrophobicContact CG-CG2 4.13Å; F560-P574 VanDerWaalsContact CE2-O 3.24Å; F560-P574 WeakPolarHBondContact CE2-O 3.41Å; F560-P574 WeakPolarHBondContact CZ-O 3.39Å; F560-I576 HydrophobicContact CE1-CD1 3.87Å; F560-I576 HydrophobicContact CE2-CD1 4.31Å; F560-I576 HydrophobicContact CE2-CG1 4.45Å; F560-I576 HydrophobicContact CZ-CD1 3.49Å; F560-I576 VanDerWaalsContact CZ-CD1 3.49Å; F560-I576 HydrophobicContact CZ-CG1 3.92Å
561	S	85.1	Confident	78.6	Confident	45 Å²	45	57 Å²	57	32%	0.315	33%	0.329	S	S	.	.	B	Isolated β-bridge	trans	-81	126	176.5	-59.6	0	0	0	0	111.6	F550 T559 K567	F550-S561 WeakPolarHBondContact CD2-O 3.2Å; T559-S561 WeakPolarHBondContact CG2-O 3.48Å; T559-S561 PolarHBondContact OG1-N 3.2Å; T559-S561 VanDerWaalsContact OG1-N 3.09Å; S561-K567 WeakPolarHBondContact CA-O 3.32Å
562	D	83	Confident	77.5	Confident	10 Å²	10	66.1 Å²	66.1	5%	0.053	37%	0.369	C	S	.	.			trans	-65.4	125.6	175.5	-167.5	-58.6	0	0	0	111	F550 R564 T565 G566 K567	F550-D562 HydrophobicContact CE1-CB 4.02Å; F550-D562 WeakPolarHBondContact CE1-OD2 3.29Å; F550-D562 VanDerWaalsContact CE2-CA 3.46Å; F550-D562 HydrophobicContact CE2-CB 3.83Å; F550-D562 VanDerWaalsContact CZ-CA 3.49Å; F550-D562 HydrophobicContact CZ-CB 3.47Å; F550-D562 VanDerWaalsContact CZ-CB 3.47Å; F550-D562 VanDerWaalsContact CZ-CG 3.47Å; F550-D562 WeakPolarHBondContact CZ-OD2 3.39Å; D562-R564 PolarHBondContact O-N 3.29Å; D562-R564 VanDerWaalsContact OD1-CB 3.26Å; D562-R564 WeakPolarHBondContact OD1-CB 3.4Å; D562-R564 IonicContact OD1-CZ 2.64Å; D562-R564 PolarHBondContact OD1-N 3.32Å; D562-R564 IonicContact OD1-NE 3.5Å; D562-R564 PolarHBondContact OD1-NE 3.16Å; D562-R564 IonicContact OD1-NH2 2.69Å; D562-R564 IonicContact OD2-CZ 3.19Å; D562-R564 IonicContact OD2-NE 3.84Å; D562-R564 IonicContact OD2-NH2 3.86Å; D562-R564 PolarHBondContact OD2-NH2 2.84Å; D562-T565 PolarHBondContact O-N 3.46Å; D562-G566 WeakPolarHBondContact O-CA 3.41Å; D562-G566 PolarHBondContact O-N 2.82Å; D562-K567 PolarHBondContact N-O 3.48Å
563	P	81.9	Confident	76.3	Confident	42 Å²	42	66.7 Å²	66.7	27%	0.273	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-18.1	-176.9	29.5	-37.8	0	0	0	113.5	L534 P535 W538 F550	L534-P563 HydrophobicContact CD2-CG 3.95Å; P535-P563 HydrophobicContact CG-CB 4.19Å; P535-P563 HydrophobicContact CG-CG 4.4Å; W538-P563 HydrophobicContact CD2-CB 3.76Å; W538-P563 HydrophobicContact CD2-CG 3.72Å; W538-P563 HydrophobicContact CE3-CB 3.75Å; W538-P563 HydrophobicContact CE3-CG 3.53Å; W538-P563 HydrophobicContact CG-CB 4.45Å; W538-P563 HydrophobicContact CG-CG 4.16Å; W538-P563 HydrophobicContact CH2-CB 3.88Å; W538-P563 HydrophobicContact CZ2-CB 3.91Å; W538-P563 HydrophobicContact CZ3-CB 3.8Å; W538-P563 HydrophobicContact CZ3-CG 3.96Å; F550-P563 VanDerWaalsContact CD1-CD 3.47Å; F550-P563 HydrophobicContact CD1-CG 4.37Å
564	R	81.4	Confident	75.6	Confident	62 Å²	62	71.1 Å²	71.1	23%	0.234	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-34.7	-179.1	-53.1	163.7	-68.1	162.1	10.5	112.1	E531 D532 P533 L534 D562	E531-R564 IonicContact OE2-CZ 3.54Å; E531-R564 VanDerWaalsContact OE2-CZ 3.3Å; E531-R564 IonicContact OE2-NH1 3.5Å; E531-R564 PolarHBondContact OE2-NH1 2.69Å; E531-R564 IonicContact OE2-NH2 3.24Å; E531-R564 PolarHBondContact OE2-NH2 2.87Å; D532-R564 WeakPolarHBondContact O-CD 3.45Å; D532-R564 PolarHBondContact O-NH1 3.25Å; P533-R564 WeakPolarHBondContact O-CD 3.41Å; L534-R564 HydrophobicContact CD2-CG 4.48Å; D562-R564 PolarHBondContact O-N 3.29Å; D562-R564 VanDerWaalsContact OD1-CB 3.26Å; D562-R564 WeakPolarHBondContact OD1-CB 3.4Å; D562-R564 IonicContact OD1-CZ 2.64Å; D562-R564 PolarHBondContact OD1-N 3.32Å; D562-R564 IonicContact OD1-NE 3.5Å; D562-R564 PolarHBondContact OD1-NE 3.16Å; D562-R564 IonicContact OD1-NH2 2.69Å; D562-R564 IonicContact OD2-CZ 3.19Å; D562-R564 IonicContact OD2-NE 3.84Å; D562-R564 IonicContact OD2-NH2 3.86Å; D562-R564 PolarHBondContact OD2-NH2 2.84Å
565	T	79.2	Confident	74.9	Confident	56 Å²	56	76.6 Å²	76.6	34%	0.344	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-8.1	-170.2	70.5	0	0	0	0	114.9	D562 K567	D562-T565 PolarHBondContact O-N 3.46Å; T565-K567 PolarHBondContact O-N 2.8Å; T565-K567 VanDerWaalsContact O-N 3.09Å
566	G	76.8	Confident	74.5	Confident	57 Å²	57	74.1 Å²	74.1	59%	0.588	41%	0.414	S	S	*	.			trans	68.7	-3.1	-176	0	0	0	0	0	115.1	D562 S568	D562-G566 WeakPolarHBondContact O-CA 3.41Å; D562-G566 PolarHBondContact O-N 2.82Å; G566-S568 PolarHBondContact O-N 3.42Å
567	K	76.5	Confident	74	Confident	143 Å²	143	72.4 Å²	72.4	62%	0.622	43%	0.425	S	S	*	.			trans	-74.5	124	-177.3	-62.7	170	-169.7	162.1	0	109.8	S561 D562 T565	S561-K567 WeakPolarHBondContact CA-O 3.32Å; D562-K567 PolarHBondContact N-O 3.48Å; T565-K567 PolarHBondContact O-N 2.8Å; T565-K567 VanDerWaalsContact O-N 3.09Å
568	S	75.1	Confident	73.2	Confident	57 Å²	57	71.5 Å²	71.5	40%	0.399	42%	0.415	S	S	.	.	B	Isolated β-bridge	trans	-85.4	135.7	173.1	-170.9	0	0	0	0	112.5	F560 G566 V570	F560-S568 WeakPolarHBondContact CB-OG 3.49Å; F560-S568 WeakPolarHBondContact O-CA 3.43Å; G566-S568 PolarHBondContact O-N 3.42Å; S568-V570 PolarHBondContact O-N 2.77Å; S568-V570 PolarHBondContact OG-N 2.87Å; S568-V570 PolarHBondContact OG-O 3.28Å
569	S	65.7	Low	72.3	Confident	62 Å²	62	75.3 Å²	75.3	43%	0.434	43%	0.43	S	S	.	.	S	Bend	trans	-70	-18.8	170.6	-56	0	0	0	0	112.6	R548 F560	R548-S569 WeakPolarHBondContact O-CB 3.44Å; F560-S569 PolarHBondContact O-N 3.13Å
570	V	70.8	Confident	71.4	Confident	44 Å²	44	74.8 Å²	74.8	27%	0.267	42%	0.424	S	S	.	.			trans	-145.8	134.8	178.6	-162.6	0	0	0	0	110.9	V547 F560 S568	V547-V570 HydrophobicContact CG1-CG2 3.45Å; V547-V570 VanDerWaalsContact CG1-CG2 3.45Å; F560-V570 HydrophobicContact CD1-CB 4.29Å; F560-V570 HydrophobicContact CD1-CG2 3.62Å; F560-V570 HydrophobicContact CE1-CG2 4.01Å; F560-V570 HydrophobicContact CG-CB 4.3Å; F560-V570 HydrophobicContact CG-CG2 4.13Å; S568-V570 PolarHBondContact O-N 2.77Å; S568-V570 PolarHBondContact OG-N 2.87Å; S568-V570 PolarHBondContact OG-O 3.28Å
571	T	60.7	Low	70.7	Confident	150 Å²	150	74.1 Å²	74.1	92%	0.92	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-29	178.1	46.5	0	0	0	0	113.9
572	K	57	Low	70.2	Confident	193 Å²	193	72.4 Å²	72.4	84%	0.839	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-147.2	83.4	166.9	-70.1	-169.4	178.5	-177.9	0	110
573	G	59.1	Low	69.7	Low	25 Å²	25	76.2 Å²	76.2	26%	0.258	42%	0.422	S	S	.	.			trans	-77	157.9	172.4	0	0	0	0	0	112.4
574	P	62.4	Low	69.3	Low	102 Å²	102	76.3 Å²	76.3	66%	0.662	42%	0.417	S	S	*	.			trans	-64.4	141.6	169.2	29.8	-34.5	0	0	0	109.7	F560 I576	F560-P574 VanDerWaalsContact CE2-O 3.24Å; F560-P574 WeakPolarHBondContact CE2-O 3.41Å; F560-P574 WeakPolarHBondContact CZ-O 3.39Å; P574-I576 PolarHBondContact O-N 3.03Å; P574-I576 VanDerWaalsContact O-N 3.08Å
575	Q	63.1	Low	69.3	Low	198 Å²	198	73.8 Å²	73.8	93%	0.925	41%	0.408	S	S	*	.			trans	-71.2	108.8	-177.7	-171.9	164.9	-8.2	0	0	110.6
576	I	73.1	Confident	69.4	Low	34 Å²	34	72.4 Å²	72.4	17%	0.174	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-80.6	125.6	-179.5	-58.6	173.3	0	0	0	108.6	T543 Y549 T558 F560 P574	T543-I576 HydrophobicContact CG2-CD1 3.63Å; Y549-I576 HydrophobicContact CD1-CD1 3.48Å; Y549-I576 VanDerWaalsContact CD1-CD1 3.48Å; Y549-I576 HydrophobicContact CD2-CD1 3.82Å; Y549-I576 HydrophobicContact CD2-CG2 4.37Å; Y549-I576 HydrophobicContact CE1-CD1 3.8Å; Y549-I576 HydrophobicContact CE2-CD1 4.12Å; Y549-I576 HydrophobicContact CE2-CG2 3.84Å; Y549-I576 HydrophobicContact CG-CD1 3.48Å; Y549-I576 VanDerWaalsContact CG-CD1 3.48Å; T558-I576 HydrophobicContact CG2-CG2 4.42Å; T558-I576 PolarHBondContact OG1-O 2.91Å; F560-I576 HydrophobicContact CE1-CD1 3.87Å; F560-I576 HydrophobicContact CE2-CD1 4.31Å; F560-I576 HydrophobicContact CE2-CG1 4.45Å; F560-I576 HydrophobicContact CZ-CD1 3.49Å; F560-I576 VanDerWaalsContact CZ-CD1 3.49Å; F560-I576 HydrophobicContact CZ-CG1 3.92Å; P574-I576 PolarHBondContact O-N 3.03Å; P574-I576 VanDerWaalsContact O-N 3.08Å
577	A	66.6	Low	69.1	Low	85 Å²	85	71.2 Å²	71.2	70%	0.702	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-63.7	142.1	173.1	0	0	0	0	0	110.7	E579	A577-E579 PolarHBondContact O-N 2.75Å
578	Y	66.6	Low	69.1	Low	47 Å²	47	67 Å²	67	18%	0.184	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-66.6	125.6	171	173	-92.3	0	0	0	109.7	V551 H553 R556 R580	V551-Y578 HydrophobicContact CG1-CD2 3.54Å; V551-Y578 HydrophobicContact CG1-CE2 3.46Å; V551-Y578 VanDerWaalsContact CG1-CE2 3.46Å; H553-Y578 AromaticContact ND1-CE2 3.54Å; H553-Y578 AromaticContact ND1-CZ 3.67Å; H553-Y578 PolarHBondContact ND1-OH 2.56Å; R556-Y578 VanDerWaalsContact C-CG 3.5Å; R556-Y578 HydrophobicContact CB-CD1 3.99Å; R556-Y578 HydrophobicContact CB-CD2 4.36Å; R556-Y578 HydrophobicContact CB-CE1 3.92Å; R556-Y578 HydrophobicContact CB-CE2 4.31Å; R556-Y578 HydrophobicContact CB-CG 4.21Å; R556-Y578 HydrophobicContact CG-CE1 4.18Å; R556-Y578 VanDerWaalsContact O-CB 3.3Å; R556-Y578 WeakPolarHBondContact O-CB 3.37Å; Y578-R580 HydrophobicContact CE1-CG 3.91Å
579	E	64.8	Low	69.5	Low	111 Å²	111	64.3 Å²	64.3	52%	0.519	35%	0.347	S	S	.	.			trans	-106.6	132.5	176.3	-170.7	-178.5	-114.6	0	0	109.1	R541 A577 S581	R541-E579 IonicContact CZ-OE2 3.07Å; R541-E579 VanDerWaalsContact CZ-OE2 3.24Å; R541-E579 IonicContact NH1-OE2 3.86Å; R541-E579 PolarHBondContact NH1-OE2 2.85Å; R541-E579 IonicContact NH2-OE2 3.32Å; R541-E579 PolarHBondContact NH2-OE2 2.98Å; A577-E579 PolarHBondContact O-N 2.75Å; E579-S581 VanDerWaalsContact C-N 3.26Å; E579-S581 PolarHBondContact O-N 2.86Å
580	R	64.9	Low	70.2	Confident	28 Å²	28	63.1 Å²	63.1	11%	0.106	33%	0.333	C	S	.	.			trans	-72.2	81.6	175.1	-75.6	-178.1	177.1	78.9	-7.3	110	Y578 F582 E950	Y578-R580 HydrophobicContact CE1-CG 3.91Å; R580-F582 VanDerWaalsContact C-N 3.3Å; R580-F582 PolarHBondContact O-N 3.08Å; R580-E950 IonicContact CZ-OE1 3.7Å; R580-E950 VanDerWaalsContact CZ-OE1 3.26Å; R580-E950 IonicContact CZ-OE2 3.42Å; R580-E950 IonicContact NH1-OE1 2.75Å; R580-E950 PolarHBondContact NH1-OE1 3.03Å; R580-E950 IonicContact NH1-OE2 2.78Å; R580-E950 IonicContact NH2-OE1 3.94Å; R580-E950 PolarHBondContact NH2-OE1 2.89Å; R580-E950 IonicContact NH2-OE2 2.7Å; R580-E950 PolarHBondContact NH2-OE2 2.96Å
581	S	70.3	Confident	70.5	Confident	6 Å²	6	67.6 Å²	67.6	4%	0.042	35%	0.345	C	S	.	.			trans	-64	75.6	-178.9	-163.1	0	0	0	0	113	E539 R541 E579 R583 W584 K585	E539-S581 PolarHBondContact OE1-OG 2.89Å; E539-S581 WeakPolarHBondContact OE2-CB 3.16Å; E539-S581 PolarHBondContact OE2-OG 3.21Å; R541-S581 VanDerWaalsContact NH2-CB 3.31Å; R541-S581 PolarHBondContact NH2-OG 3.42Å; E579-S581 VanDerWaalsContact C-N 3.26Å; E579-S581 PolarHBondContact O-N 2.86Å; S581-R583 PolarHBondContact O-N 2.88Å; S581-W584 PolarHBondContact O-N 2.96Å; S581-W584 VanDerWaalsContact O-N 3.11Å; S581-W584 WeakPolarHBondContact OG-CB 3.35Å; S581-W584 PolarHBondContact OG-N 3.27Å; S581-K585 WeakPolarHBondContact O-CG 3.28Å; S581-K585 PolarHBondContact O-N 3.42Å
582	F	75.9	Confident	71.4	Confident	9 Å²	9	62.1 Å²	62.1	4%	0.039	31%	0.31	C	S	.	.	H	α-helix	trans	-56.4	-40.1	176.8	172.7	-120.7	0	0	0	111.4	R580 W584 K585 L586 F827 E831 V834 M835 M839 E876	R580-F582 VanDerWaalsContact C-N 3.3Å; R580-F582 PolarHBondContact O-N 3.08Å; F582-W584 PolarHBondContact O-N 3.28Å; F582-K585 PolarHBondContact O-N 3.49Å; F582-L586 HydrophobicContact CE1-CD2 4.41Å; F582-L586 HydrophobicContact CZ-CD2 4.28Å; F582-L586 VanDerWaalsContact O-CB 3.28Å; F582-L586 WeakPolarHBondContact O-CB 3.47Å; F582-L586 PolarHBondContact O-N 3.2Å; F582-F827 HydrophobicContact CD2-CD1 4.32Å; F582-F827 HydrophobicContact CD2-CE1 4.18Å; F582-F827 HydrophobicContact CE2-CD1 4.3Å; F582-F827 HydrophobicContact CE2-CE1 4.08Å; F582-E831 HydrophobicContact CB-CG 4.45Å; F582-E831 HydrophobicContact CD2-CB 3.65Å; F582-E831 HydrophobicContact CD2-CG 3.52Å; F582-E831 HydrophobicContact CE2-CB 3.68Å; F582-E831 HydrophobicContact CE2-CG 4.06Å; F582-E831 HydrophobicContact CG-CG 4.18Å; F582-V834 HydrophobicContact CE1-CB 4.49Å; F582-V834 HydrophobicContact CE1-CG1 3.73Å; F582-V834 HydrophobicContact CZ-CB 4.13Å; F582-V834 HydrophobicContact CZ-CG1 3.71Å; F582-M835 HydrophobicContact CE2-CG 3.86Å; F582-M835 HydrophobicContact CZ-CG 4.05Å; F582-M839 HydrophobicContact CE1-SD 4.18Å; F582-E876 WeakPolarHBondContact CB-OE1 3.41Å
583	R	72.6	Confident	72.6	Confident	90 Å²	90	53 Å²	53	34%	0.34	27%	0.271	S	S	.	.	H	α-helix	trans	-50.3	-53.6	170.4	-73.8	161	147.7	111.9	-21	112.7	M483 E487 S581 L586 A587 D874 E876	M483-R583 VanDerWaalsContact CE-CZ 3.41Å; M483-R583 VanDerWaalsContact CE-NH1 3.34Å; E487-R583 IonicContact OE2-NE 2.99Å; E487-R583 PolarHBondContact OE2-NE 3.14Å; S581-R583 PolarHBondContact O-N 2.88Å; R583-L586 PolarHBondContact O-N 3.48Å; R583-A587 WeakPolarHBondContact O-CB 3.31Å; R583-A587 PolarHBondContact O-N 3.1Å; R583-D874 IonicContact NH1-OD2 3.95Å; R583-D874 PolarHBondContact NH1-OD2 3.21Å; R583-D874 IonicContact NH2-OD2 3.54Å; R583-E876 IonicContact CZ-OE2 3.85Å; R583-E876 IonicContact NH1-OE2 2.91Å; R583-E876 PolarHBondContact NH1-OE2 3.39Å
584	W	73.3	Confident	73.6	Confident	44 Å²	44	58.8 Å²	58.8	17%	0.167	29%	0.291	C	S	.	.	H	α-helix	trans	-63.4	-47.3	178.2	177.2	89.3	0	0	0	112.1	E539 H553 S581 F582 L586 A587 H588 Y826	E539-W584 HydrophobicContact CB-CD2 4.26Å; E539-W584 HydrophobicContact CB-CG 4.13Å; E539-W584 HydrophobicContact CG-CB 4.45Å; E539-W584 VanDerWaalsContact CG-CD1 3.4Å; E539-W584 HydrophobicContact CG-CG 3.9Å; H553-W584 AromaticContact CD2-CD2 3.92Å; H553-W584 AromaticContact CD2-CE3 3.43Å; H553-W584 VanDerWaalsContact CD2-CE3 3.43Å; H553-W584 AromaticContact CD2-CH2 3.67Å; H553-W584 AromaticContact CD2-CZ3 3.31Å; H553-W584 WeakPolarHBondContact CD2-CZ3 3.22Å; H553-W584 AromaticContact NE2-CD2 3.55Å; H553-W584 AromaticContact NE2-CE3 3.38Å; H553-W584 AromaticContact NE2-CZ3 3.81Å; S581-W584 PolarHBondContact O-N 2.96Å; S581-W584 VanDerWaalsContact O-N 3.11Å; S581-W584 WeakPolarHBondContact OG-CB 3.35Å; S581-W584 PolarHBondContact OG-N 3.27Å; F582-W584 PolarHBondContact O-N 3.28Å; W584-L586 VanDerWaalsContact C-N 3.27Å; W584-L586 PolarHBondContact O-N 3.38Å; W584-A587 PolarHBondContact O-N 3.38Å; W584-A587 VanDerWaalsContact O-N 3.15Å; W584-H588 HydrophobicContact CH2-CB 4.29Å; W584-H588 HydrophobicContact CZ2-CB 4.27Å; W584-H588 HydrophobicContact CZ3-CB 4.44Å; W584-H588 WeakPolarHBondContact O-CB 3.35Å; W584-H588 PolarHBondContact O-N 3.49Å; W584-Y826 HydrophobicContact CZ3-CD2 4.37Å
585	K	81	Confident	74.3	Confident	9 Å²	9	57.2 Å²	57.2	4%	0.039	28%	0.283	C	S	.	.	H	α-helix	trans	-56.3	-45.6	179	-62.1	171.5	-174.1	-178.4	0	110.7	S581 F582 H588 F589 Y826 F827 E831	S581-K585 WeakPolarHBondContact O-CG 3.28Å; S581-K585 PolarHBondContact O-N 3.42Å; F582-K585 PolarHBondContact O-N 3.49Å; K585-H588 PolarHBondContact O-N 3.47Å; K585-F589 WeakPolarHBondContact O-CB 3.47Å; K585-F589 PolarHBondContact O-N 2.94Å; K585-Y826 WeakPolarHBondContact CD-O 3.39Å; K585-Y826 WeakPolarHBondContact CE-O 3.44Å; K585-Y826 PolarHBondContact NZ-O 2.99Å; K585-F827 VanDerWaalsContact C-CZ 3.41Å; K585-F827 HydrophobicContact CB-CD1 3.98Å; K585-F827 HydrophobicContact CB-CE1 3.38Å; K585-F827 HydrophobicContact CB-CE2 4.25Å; K585-F827 HydrophobicContact CB-CZ 3.58Å; K585-F827 HydrophobicContact CD-CD1 4.03Å; K585-F827 HydrophobicContact CD-CE1 4.27Å; K585-F827 HydrophobicContact CG-CE1 4.48Å; K585-F827 VanDerWaalsContact O-CZ 3.29Å; K585-F827 WeakPolarHBondContact O-CZ 3.45Å; K585-E831 IonicContact NZ-OE1 2.66Å; K585-E831 PolarHBondContact NZ-OE1 3.48Å; K585-E831 IonicContact NZ-OE2 3.56Å; K585-E831 PolarHBondContact NZ-OE2 3.27Å
586	L	80.8	Confident	75.4	Confident	27 Å²	27	50.8 Å²	50.8	14%	0.141	26%	0.255	C	S	.	.	H	α-helix	trans	-64.1	-44.3	177.8	178.9	58.4	0	0	0	111.8	F582 R583 W584 F589 R590 M835	F582-L586 HydrophobicContact CE1-CD2 4.41Å; F582-L586 HydrophobicContact CZ-CD2 4.28Å; F582-L586 VanDerWaalsContact O-CB 3.28Å; F582-L586 WeakPolarHBondContact O-CB 3.47Å; F582-L586 PolarHBondContact O-N 3.2Å; R583-L586 PolarHBondContact O-N 3.48Å; W584-L586 VanDerWaalsContact C-N 3.27Å; W584-L586 PolarHBondContact O-N 3.38Å; L586-F589 PolarHBondContact O-N 3.01Å; L586-R590 HydrophobicContact CD1-CG 4.1Å; L586-R590 HydrophobicContact CG-CG 4.42Å; L586-R590 WeakPolarHBondContact O-CB 3.24Å; L586-R590 WeakPolarHBondContact O-CG 3.33Å; L586-R590 PolarHBondContact O-N 3.42Å; L586-M835 HydrophobicContact CD1-CE 4.11Å; L586-M835 HydrophobicContact CD1-CG 4.28Å
587	A	70.8	Confident	75.9	Confident	32 Å²	32	51.4 Å²	51.4	26%	0.264	27%	0.265	S	S	.	.	H	α-helix	trans	-62.2	-44.5	175.9	0	0	0	0	0	112	R583 W584 R590 Y591	R583-A587 WeakPolarHBondContact O-CB 3.31Å; R583-A587 PolarHBondContact O-N 3.1Å; W584-A587 PolarHBondContact O-N 3.38Å; W584-A587 VanDerWaalsContact O-N 3.15Å; A587-R590 PolarHBondContact O-N 3.31Å; A587-Y591 PolarHBondContact O-N 3.15Å
588	H	76.8	Confident	76.9	Confident	55 Å²	55	50.1 Å²	50.1	26%	0.255	25%	0.246	S	C	.	.	H	α-helix	trans	-61.8	-46.6	175.4	-177.2	80.9	0	0	0	111.7	W584 K585 R590 Y591 L592	W584-H588 HydrophobicContact CH2-CB 4.29Å; W584-H588 HydrophobicContact CZ2-CB 4.27Å; W584-H588 HydrophobicContact CZ3-CB 4.44Å; W584-H588 WeakPolarHBondContact O-CB 3.35Å; W584-H588 PolarHBondContact O-N 3.49Å; K585-H588 PolarHBondContact O-N 3.47Å; H588-R590 VanDerWaalsContact C-N 3.32Å; H588-R590 PolarHBondContact O-N 2.96Å; H588-Y591 WeakPolarHBondContact O-CB 3.22Å; H588-Y591 PolarHBondContact O-N 3.17Å; H588-L592 WeakPolarHBondContact O-CG 3.27Å; H588-L592 PolarHBondContact O-N 3.21Å
589	F	83.6	Confident	77.7	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-60.9	-38.8	174.6	179.3	-94.5	0	0	0	112.7	K585 L586 L592 C593 L703 V819 W823 L824 F827 M835	K585-F589 WeakPolarHBondContact O-CB 3.47Å; K585-F589 PolarHBondContact O-N 2.94Å; L586-F589 PolarHBondContact O-N 3.01Å; F589-L592 PolarHBondContact O-N 3.1Å; F589-C593 WeakPolarHBondContact CE1-SG 3.39Å; F589-C593 VanDerWaalsContact CZ-SG 3.6Å; F589-C593 PolarHBondContact O-N 3.39Å; F589-C593 PolarHBondContact O-SG 2.92Å; F589-L703 HydrophobicContact CE1-CB 4.17Å; F589-L703 HydrophobicContact CZ-CB 4Å; F589-V819 HydrophobicContact CE2-CG1 3.93Å; F589-V819 HydrophobicContact CZ-CG1 4.02Å; F589-W823 HydrophobicContact CD2-CB 4.09Å; F589-W823 HydrophobicContact CE2-CB 4.04Å; F589-W823 HydrophobicContact CE2-CE3 4.35Å; F589-L824 HydrophobicContact CD2-CD2 4.02Å; F589-L824 HydrophobicContact CE2-CD2 3.62Å; F589-L824 HydrophobicContact CZ-CD2 4.27Å; F589-F827 HydrophobicContact CB-CE2 3.94Å; F589-F827 HydrophobicContact CB-CZ 3.79Å; F589-F827 HydrophobicContact CD2-CE2 4.25Å; F589-F827 HydrophobicContact CG-CE2 4.27Å; F589-F827 HydrophobicContact CG-CZ 4.34Å; F589-M835 HydrophobicContact CB-CE 4.22Å; F589-M835 HydrophobicContact CD1-CE 3.39Å; F589-M835 HydrophobicContact CD2-CE 4.23Å; F589-M835 HydrophobicContact CE1-CE 3.74Å; F589-M835 HydrophobicContact CG-CE 3.67Å; F589-M835 HydrophobicContact CZ-CE 4.31Å
590	R	81.4	Confident	79.1	Confident	37 Å²	37	51.2 Å²	51.2	14%	0.14	27%	0.271	C	S	.	.	H	α-helix	trans	-64.9	-41.4	175.4	-68.7	-93.7	163.7	-102.1	-8.2	111	M484 L586 A587 H588 C593 Q594 L703	M484-R590 HydrophobicContact CE-CG 3.85Å; L586-R590 HydrophobicContact CD1-CG 4.1Å; L586-R590 HydrophobicContact CG-CG 4.42Å; L586-R590 WeakPolarHBondContact O-CB 3.24Å; L586-R590 WeakPolarHBondContact O-CG 3.33Å; L586-R590 PolarHBondContact O-N 3.42Å; A587-R590 PolarHBondContact O-N 3.31Å; H588-R590 VanDerWaalsContact C-N 3.32Å; H588-R590 PolarHBondContact O-N 2.96Å; R590-C593 PolarHBondContact O-N 2.95Å; R590-Q594 VanDerWaalsContact O-CB 3.28Å; R590-Q594 WeakPolarHBondContact O-CB 3.36Å; R590-Q594 PolarHBondContact O-N 3.48Å; R590-L703 PolarHBondContact NH1-O 2.89Å
591	Y	76.1	Confident	80.4	Confident	137 Å²	137	53.2 Å²	53.2	54%	0.537	28%	0.281	S	S	.	.	H	α-helix	trans	-62.8	-42.9	172.7	176.9	-93	0	0	0	112.6	A587 H588 C593 Q594 S595	A587-Y591 PolarHBondContact O-N 3.15Å; H588-Y591 WeakPolarHBondContact O-CB 3.22Å; H588-Y591 PolarHBondContact O-N 3.17Å; Y591-C593 PolarHBondContact O-N 3.19Å; Y591-Q594 PolarHBondContact O-N 3.12Å; Y591-S595 WeakPolarHBondContact O-CB 3.19Å; Y591-S595 PolarHBondContact O-N 3.28Å; Y591-S595 PolarHBondContact O-OG 3.15Å
592	L	79.8	Confident	81.6	Confident	35 Å²	35	53.7 Å²	53.7	18%	0.183	28%	0.284	C	S	.	.	H	α-helix	trans	-59.2	-45.4	173.8	-71	175.6	0	0	0	111.6	H588 F589 S595 N596 W823	H588-L592 WeakPolarHBondContact O-CG 3.27Å; H588-L592 PolarHBondContact O-N 3.21Å; F589-L592 PolarHBondContact O-N 3.1Å; L592-S595 PolarHBondContact O-OG 2.73Å; L592-S595 VanDerWaalsContact O-OG 3.06Å; L592-N596 WeakPolarHBondContact O-CB 3.5Å; L592-N596 PolarHBondContact O-N 3.5Å; L592-N596 PolarHBondContact O-ND2 3.04Å; L592-W823 HydrophobicContact CB-CD2 4.17Å; L592-W823 HydrophobicContact CB-CE3 4.16Å; L592-W823 HydrophobicContact CB-CZ3 4.49Å; L592-W823 HydrophobicContact CD1-CB 4.08Å; L592-W823 HydrophobicContact CD1-CD2 4.27Å; L592-W823 HydrophobicContact CD1-CG 3.88Å
593	C	82.7	Confident	82.5	Confident	3 Å²	3	58.8 Å²	58.8	2%	0.02	31%	0.306	C	S	.	.	H	α-helix	trans	-63.5	-45.2	175.7	-63.9	0	0	0	0	111.8	F589 R590 Y591 N596 A597 F704	F589-C593 WeakPolarHBondContact CE1-SG 3.39Å; F589-C593 VanDerWaalsContact CZ-SG 3.6Å; F589-C593 PolarHBondContact O-N 3.39Å; F589-C593 PolarHBondContact O-SG 2.92Å; R590-C593 PolarHBondContact O-N 2.95Å; Y591-C593 PolarHBondContact O-N 3.19Å; C593-N596 CarbonylContact O-C 3.47Å; C593-N596 PolarHBondContact O-N 3.09Å; C593-A597 PolarHBondContact O-N 2.74Å; C593-F704 HydrophobicContact CB-CD2 3.86Å; C593-F704 HydrophobicContact CB-CE2 3.89Å; C593-F704 HydrophobicContact CB-CG 4.25Å; C593-F704 HydrophobicContact CB-CZ 4.3Å; C593-F704 WeakPolarHBondContact O-CZ 3.31Å
594	Q	78.8	Confident	83.6	Confident	145 Å²	145	54.5 Å²	54.5	68%	0.678	29%	0.29	S	S	*	.	H	α-helix	trans	-70	-35.8	-175.7	-166.6	171	17.6	0	0	113	R590 Y591 N596 A597	R590-Q594 VanDerWaalsContact O-CB 3.28Å; R590-Q594 WeakPolarHBondContact O-CB 3.36Å; R590-Q594 PolarHBondContact O-N 3.48Å; Y591-Q594 PolarHBondContact O-N 3.12Å; Q594-N596 VanDerWaalsContact C-N 3.33Å; Q594-A597 WeakPolarHBondContact O-CB 3.3Å; Q594-A597 PolarHBondContact O-N 3.44Å
595	S	77.2	Confident	84.6	Confident	69 Å²	69	54.7 Å²	54.7	48%	0.483	30%	0.296	S	S	.	.	H	α-helix	trans	-71.9	-25	173.4	54.3	0	0	0	0	113.3	Y591 L592	Y591-S595 WeakPolarHBondContact O-CB 3.19Å; Y591-S595 PolarHBondContact O-N 3.28Å; Y591-S595 PolarHBondContact O-OG 3.15Å; L592-S595 PolarHBondContact O-OG 2.73Å; L592-S595 VanDerWaalsContact O-OG 3.06Å
596	N	86.1	Confident	85.4	Confident	63 Å²	63	54.2 Å²	54.2	34%	0.337	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	7.8	175.9	-74.7	-97.6	0	0	0	113.6	L592 C593 Q594 F704 W823	L592-N596 WeakPolarHBondContact O-CB 3.5Å; L592-N596 PolarHBondContact O-N 3.5Å; L592-N596 PolarHBondContact O-ND2 3.04Å; C593-N596 CarbonylContact O-C 3.47Å; C593-N596 PolarHBondContact O-N 3.09Å; Q594-N596 VanDerWaalsContact C-N 3.33Å; N596-F704 HydrophobicContact CB-CE2 4.46Å; N596-W823 HydrophobicContact CB-CH2 3.63Å; N596-W823 HydrophobicContact CB-CZ2 4.26Å
597	A	85.3	Confident	86	Confident	48 Å²	48	53.7 Å²	53.7	40%	0.397	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-74.2	128.7	178.8	0	0	0	0	0	110.9	C593 Q594 F704	C593-A597 PolarHBondContact O-N 2.74Å; Q594-A597 WeakPolarHBondContact O-CB 3.3Å; Q594-A597 PolarHBondContact O-N 3.44Å; A597-F704 HydrophobicContact CB-CE1 4.3Å; A597-F704 HydrophobicContact CB-CZ 4.26Å
598	L	86.6	Confident	87	Confident	57 Å²	57	55.6 Å²	55.6	30%	0.298	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-82.7	143.5	178.1	-70.1	-173.2	0	0	0	111.2	Y625 R628 R629	L598-Y625 HydrophobicContact CD1-CD2 3.71Å; L598-Y625 HydrophobicContact CD1-CG 4.46Å; L598-Y625 VanDerWaalsContact CD1-O 3.3Å; L598-Y625 WeakPolarHBondContact CD1-O 3.3Å; L598-R628 PolarHBondContact N-O 3.07Å; L598-R629 HydrophobicContact CB-CG 3.63Å
599	P	84.2	Confident	87.5	Confident	98 Å²	98	60.7 Å²	60.7	64%	0.636	32%	0.316	S	S	*	.	S	Bend	trans	-66.7	168.1	178	28.5	-35.8	0	0	0	112.3	R629	P599-R629 PolarHBondContact O-NH1 3.13Å
600	S	92.6	Very high	87.9	Confident	83 Å²	83	64 Å²	64	58%	0.58	34%	0.337	S	S	*	.	S	Bend	trans	64.3	-161.8	-170.4	-160.4	0	0	0	0	113	R630	S600-R630 PolarHBondContact O-N 2.93Å
601	H	92.3	Very high	88.5	Confident	71 Å²	71	62.3 Å²	62.3	33%	0.329	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	163.6	-173	66.1	-68.6	0	0	0	110.6	K603 R630 Y632	H601-K603 WeakPolarHBondContact NE2-CE 3.27Å; H601-R630 CarbonylContact C-O 3.58Å; H601-R630 WeakPolarHBondContact CA-O 3.31Å; H601-R630 HydrophobicContact CB-CB 4.19Å; H601-R630 VanDerWaalsContact CB-O 3.3Å; H601-R630 WeakPolarHBondContact CB-O 3.22Å; H601-Y632 HydrophobicContact CB-CD1 3.92Å; H601-Y632 HydrophobicContact CB-CE1 4.04Å; H601-Y632 HydrophobicContact CB-CG 4.24Å; H601-Y632 AromaticContact CD2-CD2 3.56Å; H601-Y632 AromaticContact CD2-CE2 3.98Å; H601-Y632 AromaticContact CD2-CG 3.76Å
602	V	95.4	Very high	89.4	Confident	15 Å²	15	55.9 Å²	55.9	9%	0.091	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	136.8	169.6	63	0	0	0	0	109	L622 R629 R630 L631 Y632	V602-L622 HydrophobicContact CG2-CD1 3.6Å; V602-L622 HydrophobicContact CG2-CD2 3.76Å; V602-L622 HydrophobicContact CG2-CG 4.36Å; V602-R629 HydrophobicContact CB-CB 4.47Å; V602-R629 HydrophobicContact CG1-CB 4.37Å; V602-R630 PolarHBondContact N-O 2.88Å; V602-L631 HydrophobicContact CG1-CD2 3.57Å; V602-Y632 PolarHBondContact O-N 2.98Å
603	K	94.8	Very high	90.1	Very high	117 Å²	117	57.1 Å²	57.1	51%	0.509	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	131.8	-178.2	-63.8	-174	-179.2	-173.6	0	110.3	H601 Y632 I634	H601-K603 WeakPolarHBondContact NE2-CE 3.27Å; K603-Y632 WeakPolarHBondContact CA-O 3.26Å; K603-I634 HydrophobicContact CD-CD1 4.18Å
604	I	95.8	Very high	90.7	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	107.4	176.9	-64	173.6	0	0	0	106.8	V606 I619 L631 Y632 V633 I634 W650 M701	I604-V606 HydrophobicContact CG2-CG1 3.86Å; I604-I619 HydrophobicContact CD1-CD1 4.49Å; I604-I619 HydrophobicContact CD1-CG1 4.4Å; I604-L631 HydrophobicContact CD1-CD2 4.38Å; I604-Y632 PolarHBondContact N-O 2.8Å; I604-V633 HydrophobicContact CB-CG2 4.49Å; I604-V633 CarbonylContact O-C 3.58Å; I604-V633 WeakPolarHBondContact O-CA 3.4Å; I604-I634 PolarHBondContact O-N 3.43Å; I604-W650 HydrophobicContact CG2-CZ2 4.4Å; I604-M701 HydrophobicContact CD1-CE 4.1Å
605	T	95.7	Very high	91.7	Very high	47 Å²	47	50.9 Å²	50.9	29%	0.288	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	100	-168.9	-50.4	0	0	0	0	110.2	Q618 I634 R636	T605-Q618 PolarHBondContact O-NE2 3Å; T605-I634 CarbonylContact C-O 3.31Å; T605-I634 WeakPolarHBondContact CA-O 3.37Å; T605-I634 HydrophobicContact CG2-CB 4.38Å; T605-I634 HydrophobicContact CG2-CG2 4.37Å; T605-R636 HydrophobicContact CG2-CG 3.87Å; T605-R636 PolarHBondContact O-NE 3.04Å; T605-R636 PolarHBondContact O-NH2 3.08Å
606	V	96.4	Very high	92.6	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	153.6	-167.6	-65.9	0	0	0	0	111.8	I604 L611 D614 V633 I634 F635 R636	I604-V606 HydrophobicContact CG2-CG1 3.86Å; V606-L611 HydrophobicContact CB-CD1 4.21Å; V606-L611 HydrophobicContact CG2-CD1 4.02Å; V606-D614 HydrophobicContact CB-CB 3.98Å; V606-D614 HydrophobicContact CG1-CB 3.78Å; V606-V633 HydrophobicContact CG2-CG1 4.14Å; V606-I634 PolarHBondContact N-O 2.68Å; V606-F635 HydrophobicContact CG2-CD1 3.7Å; V606-F635 HydrophobicContact CG2-CE1 3.75Å; V606-F635 HydrophobicContact CG2-CG 4.41Å; V606-F635 HydrophobicContact CG2-CZ 4.49Å; V606-F635 CarbonylContact O-C 3.57Å; V606-F635 WeakPolarHBondContact O-CA 3.45Å; V606-R636 WeakPolarHBondContact O-CG 3.45Å; V606-R636 PolarHBondContact O-N 3.48Å
607	S	94.8	Very high	93.1	Very high	15 Å²	15	51.4 Å²	51.4	11%	0.105	27%	0.273	C	S	.	.			trans	-94.3	149.8	161.6	152.1	0	0	0	0	110.2	Q609 T610 L611 D614	S607-Q609 PolarHBondContact O-N 3.02Å; S607-Q609 PolarHBondContact OG-N 2.7Å; S607-Q609 PolarHBondContact OG-OE1 3.22Å; S607-T610 WeakPolarHBondContact CB-OG1 3.27Å; S607-L611 WeakPolarHBondContact O-CA 3.25Å; S607-L611 PolarHBondContact O-N 3.38Å; S607-L611 VanDerWaalsContact O-N 3.07Å; S607-D614 PolarHBondContact N-OD2 2.83Å
608	R	90.1	Very high	93.7	Very high	73 Å²	73	51.2 Å²	51.2	28%	0.275	26%	0.264	S	S	.	.	S	Bend	trans	-67.4	-23.1	172.5	-67.3	-173.8	-178.1	-96.7	-4.9	113.3	F635 E638 E649	R608-F635 HydrophobicContact CG-CD1 3.54Å; R608-F635 HydrophobicContact CG-CE1 3.87Å; R608-F635 HydrophobicContact CG-CG 4.33Å; R608-E638 WeakPolarHBondContact CD-OE1 3.31Å; R608-E638 IonicContact CZ-OE1 2.66Å; R608-E638 IonicContact CZ-OE2 2.87Å; R608-E638 VanDerWaalsContact CZ-OE2 3.24Å; R608-E638 IonicContact NE-OE1 3.8Å; R608-E638 PolarHBondContact NE-OE1 2.77Å; R608-E638 IonicContact NE-OE2 3.18Å; R608-E638 PolarHBondContact NE-OE2 2.74Å; R608-E638 IonicContact NH2-OE2 3.03Å; R608-E638 PolarHBondContact NH2-OE2 2.92Å; R608-E649 IonicContact CZ-OE1 3.86Å; R608-E649 IonicContact CZ-OE2 3.07Å; R608-E649 IonicContact NH1-OE1 3.67Å; R608-E649 PolarHBondContact NH1-OE1 2.92Å; R608-E649 IonicContact NH1-OE2 3.66Å; R608-E649 PolarHBondContact NH1-OE2 2.8Å; R608-E649 IonicContact NH2-OE1 2.81Å; R608-E649 PolarHBondContact NH2-OE1 2.8Å; R608-E649 IonicContact NH2-OE2 3.86Å; R608-E649 PolarHBondContact NH2-OE2 3.16Å
609	Q	88.7	Confident	94.3	Very high	162 Å²	162	48.5 Å²	48.5	76%	0.757	25%	0.25	S	S	*	.	S	Bend	trans	-85.6	-25.7	-179.6	-63.4	76.6	25	0	0	112.7	S607	S607-Q609 PolarHBondContact O-N 3.02Å; S607-Q609 PolarHBondContact OG-N 2.7Å; S607-Q609 PolarHBondContact OG-OE1 3.22Å
610	T	91.6	Very high	94.9	Very high	70 Å²	70	46.6 Å²	46.6	43%	0.429	23%	0.233	S	C	.	.	S	Bend	trans	-121.3	28.3	179.9	46.1	0	0	0	0	112.4	S607 F612 E613 D614	S607-T610 WeakPolarHBondContact CB-OG1 3.27Å; T610-F612 PolarHBondContact O-N 2.87Å; T610-E613 PolarHBondContact O-N 2.85Å; T610-E613 VanDerWaalsContact O-N 3.15Å; T610-D614 PolarHBondContact O-N 3.3Å; T610-D614 PolarHBondContact OG1-OD2 3.25Å
611	L	94.4	Very high	95.1	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-51.1	-48	-167.9	174.9	61.6	0	0	0	113.9	V606 S607 S615 F635 L653 E657	V606-L611 HydrophobicContact CB-CD1 4.21Å; V606-L611 HydrophobicContact CG2-CD1 4.02Å; S607-L611 WeakPolarHBondContact O-CA 3.25Å; S607-L611 PolarHBondContact O-N 3.38Å; S607-L611 VanDerWaalsContact O-N 3.07Å; L611-S615 WeakPolarHBondContact O-CB 3.44Å; L611-S615 PolarHBondContact O-N 3.17Å; L611-S615 VanDerWaalsContact O-N 3.1Å; L611-S615 PolarHBondContact O-OG 3.48Å; L611-F635 HydrophobicContact CD1-CE1 4.24Å; L611-L653 HydrophobicContact CD2-CB 3.41Å; L611-L653 VanDerWaalsContact CD2-CB 3.41Å; L611-L653 HydrophobicContact CD2-CD1 4.4Å; L611-E657 HydrophobicContact CB-CG 4.45Å; L611-E657 HydrophobicContact CD2-CG 3.97Å; L611-E657 HydrophobicContact CG-CG 4.29Å
612	F	94.6	Very high	95.3	Very high	1 Å²	1	45.6 Å²	45.6	0%	0.004	24%	0.236	C	C	.	.	H	α-helix	trans	-61.9	-51.2	-179.8	-176.2	-100.1	0	0	0	112	T610 S615 F616 L654 E657 V658 Y663 L665 Y691 F694	T610-F612 PolarHBondContact O-N 2.87Å; F612-S615 PolarHBondContact O-N 2.97Å; F612-F616 VanDerWaalsContact O-CB 3.31Å; F612-F616 WeakPolarHBondContact O-CB 3.31Å; F612-F616 PolarHBondContact O-N 3.22Å; F612-L654 HydrophobicContact CD2-CD1 3.99Å; F612-E657 HydrophobicContact CB-CB 4.02Å; F612-E657 HydrophobicContact CB-CG 4.3Å; F612-E657 HydrophobicContact CD2-CB 3.91Å; F612-E657 HydrophobicContact CG-CB 4.4Å; F612-V658 HydrophobicContact CD2-CG1 4.47Å; F612-V658 HydrophobicContact CE2-CG1 4.04Å; F612-Y663 HydrophobicContact CB-CE2 4.2Å; F612-Y663 WeakPolarHBondContact CB-OH 3.17Å; F612-Y663 HydrophobicContact CD1-CD2 4.16Å; F612-Y663 AromaticContact CD1-CE1 3.87Å; F612-Y663 HydrophobicContact CD1-CE1 3.87Å; F612-Y663 AromaticContact CD1-CE2 3.44Å; F612-Y663 HydrophobicContact CD1-CE2 3.44Å; F612-Y663 VanDerWaalsContact CD1-CE2 3.44Å; F612-Y663 AromaticContact CD1-CZ 3.29Å; F612-Y663 WeakPolarHBondContact CD1-OH 3.42Å; F612-Y663 HydrophobicContact CD2-CD2 4.45Å; F612-Y663 AromaticContact CD2-CE2 3.85Å; F612-Y663 HydrophobicContact CD2-CE2 3.85Å; F612-Y663 HydrophobicContact CE1-CD1 4.13Å; F612-Y663 AromaticContact CE1-CD2 3.79Å; F612-Y663 HydrophobicContact CE1-CD2 3.79Å; F612-Y663 AromaticContact CE1-CE1 3.93Å; F612-Y663 HydrophobicContact CE1-CE1 3.93Å; F612-Y663 AromaticContact CE1-CE2 3.57Å; F612-Y663 HydrophobicContact CE1-CE2 3.57Å; F612-Y663 HydrophobicContact CE1-CG 4.09Å; F612-Y663 AromaticContact CE1-CZ 3.66Å; F612-Y663 HydrophobicContact CE2-CD2 4.13Å; F612-Y663 AromaticContact CE2-CE2 3.99Å; F612-Y663 HydrophobicContact CE2-CE2 3.99Å; F612-Y663 HydrophobicContact CG-CD2 4.45Å; F612-Y663 AromaticContact CG-CE2 3.57Å; F612-Y663 HydrophobicContact CG-CE2 3.57Å; F612-Y663 AromaticContact CG-CZ 3.73Å; F612-Y663 AromaticContact CZ-CD2 3.78Å; F612-Y663 HydrophobicContact CZ-CD2 3.78Å; F612-Y663 AromaticContact CZ-CE2 3.86Å; F612-Y663 HydrophobicContact CZ-CE2 3.86Å; F612-Y663 HydrophobicContact CZ-CG 4.29Å; F612-L665 HydrophobicContact CZ-CD1 4.37Å; F612-Y691 HydrophobicContact CD1-CE1 4.33Å; F612-Y691 AromaticContact CE1-CD1 3.59Å; F612-Y691 HydrophobicContact CE1-CD1 3.59Å; F612-Y691 AromaticContact CE1-CE1 3.37Å; F612-Y691 HydrophobicContact CE1-CE1 3.37Å; F612-Y691 AromaticContact CZ-CD1 3.64Å; F612-Y691 HydrophobicContact CZ-CD1 3.64Å; F612-Y691 AromaticContact CZ-CE1 3.95Å; F612-Y691 HydrophobicContact CZ-CE1 3.95Å; F612-Y691 HydrophobicContact CZ-CG 4.39Å; F612-F694 HydrophobicContact CD2-CE1 4.25Å; F612-F694 HydrophobicContact CE2-CD1 4.49Å; F612-F694 AromaticContact CE2-CE1 3.87Å; F612-F694 HydrophobicContact CE2-CE1 3.87Å; F612-F694 HydrophobicContact CZ-CE1 4.31Å
613	E	93.6	Very high	95.4	Very high	62 Å²	62	50.6 Å²	50.6	29%	0.29	26%	0.257	S	S	.	.	H	α-helix	trans	-72.7	-41.5	-173.9	-172.2	57.1	-148.3	0	0	112	T610 S615 F616 Q617 Y691	T610-E613 PolarHBondContact O-N 2.85Å; T610-E613 VanDerWaalsContact O-N 3.15Å; E613-S615 VanDerWaalsContact C-N 3.25Å; E613-S615 PolarHBondContact O-N 3.11Å; E613-F616 PolarHBondContact O-N 2.78Å; E613-Q617 WeakPolarHBondContact O-CG 3.05Å; E613-Q617 PolarHBondContact O-N 3.45Å; E613-Q617 WeakPolarHBondContact OE1-CG 3.4Å; E613-Q617 PolarHBondContact OE1-NE2 3.19Å; E613-Y691 PolarHBondContact OE2-OH 3.04Å
614	D	96.8	Very high	95.5	Very high	17 Å²	17	46.4 Å²	46.4	9%	0.091	24%	0.241	C	C	.	.	H	α-helix	trans	-60.2	-37.2	172.1	-77.6	-49.6	0	0	0	111.6	V606 S607 T610 Q618 R636	V606-D614 HydrophobicContact CB-CB 3.98Å; V606-D614 HydrophobicContact CG1-CB 3.78Å; S607-D614 PolarHBondContact N-OD2 2.83Å; T610-D614 PolarHBondContact O-N 3.3Å; T610-D614 PolarHBondContact OG1-OD2 3.25Å; D614-Q618 WeakPolarHBondContact O-CB 3.38Å; D614-Q618 WeakPolarHBondContact O-CG 3.38Å; D614-Q618 PolarHBondContact O-N 2.71Å; D614-Q618 PolarHBondContact O-NE2 3.2Å; D614-R636 VanDerWaalsContact CG-NH1 3.31Å; D614-R636 VanDerWaalsContact CG-NH2 3.34Å; D614-R636 IonicContact OD1-CZ 2.78Å; D614-R636 IonicContact OD1-NH1 2.88Å; D614-R636 PolarHBondContact OD1-NH1 3.01Å; D614-R636 IonicContact OD1-NH2 3.18Å; D614-R636 PolarHBondContact OD1-NH2 2.84Å; D614-R636 IonicContact OD2-CZ 2.92Å; D614-R636 IonicContact OD2-NH1 3.92Å; D614-R636 PolarHBondContact OD2-NH1 3.1Å; D614-R636 IonicContact OD2-NH2 2.69Å
615	S	98	Very high	95.4	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-73.3	-42.5	178.2	-59.7	0	0	0	0	111.8	L611 F612 E613 Q618 I619 W650	L611-S615 WeakPolarHBondContact O-CB 3.44Å; L611-S615 PolarHBondContact O-N 3.17Å; L611-S615 VanDerWaalsContact O-N 3.1Å; L611-S615 PolarHBondContact O-OG 3.48Å; F612-S615 PolarHBondContact O-N 2.97Å; E613-S615 VanDerWaalsContact C-N 3.25Å; E613-S615 PolarHBondContact O-N 3.11Å; S615-Q618 PolarHBondContact O-N 3.45Å; S615-I619 WeakPolarHBondContact O-CB 3.22Å; S615-I619 PolarHBondContact O-N 3.37Å; S615-W650 PolarHBondContact OG-NE1 3.27Å
616	F	97.7	Very high	95.4	Very high	30 Å²	30	50.4 Å²	50.4	13%	0.132	25%	0.254	C	S	.	.	H	α-helix	trans	-56.6	-55.8	176.5	171.3	-112.1	0	0	0	111.1	F612 E613 Q618 I619 M620 Y691 F694	F612-F616 VanDerWaalsContact O-CB 3.31Å; F612-F616 WeakPolarHBondContact O-CB 3.31Å; F612-F616 PolarHBondContact O-N 3.22Å; E613-F616 PolarHBondContact O-N 2.78Å; F616-Q618 VanDerWaalsContact C-N 3.33Å; F616-Q618 PolarHBondContact O-N 3.46Å; F616-I619 PolarHBondContact O-N 2.94Å; F616-M620 HydrophobicContact CD2-CG 3.85Å; F616-M620 HydrophobicContact CE2-CG 3.73Å; F616-M620 HydrophobicContact CZ-CG 4.43Å; F616-M620 WeakPolarHBondContact O-CB 3.12Å; F616-M620 VanDerWaalsContact O-CG 3.28Å; F616-M620 WeakPolarHBondContact O-CG 3.42Å; F616-M620 PolarHBondContact O-N 2.88Å; F616-Y691 HydrophobicContact CB-CE1 4.35Å; F616-Y691 HydrophobicContact CD1-CD1 4.42Å; F616-Y691 AromaticContact CD1-CE1 3.69Å; F616-Y691 HydrophobicContact CD1-CE1 3.69Å; F616-Y691 AromaticContact CD2-CD1 3.56Å; F616-Y691 HydrophobicContact CD2-CD1 3.56Å; F616-Y691 AromaticContact CD2-CE1 3.68Å; F616-Y691 HydrophobicContact CD2-CE1 3.68Å; F616-Y691 HydrophobicContact CE1-CD1 4.45Å; F616-Y691 AromaticContact CE1-CE1 3.8Å; F616-Y691 HydrophobicContact CE1-CE1 3.8Å; F616-Y691 AromaticContact CE2-CD1 3.6Å; F616-Y691 HydrophobicContact CE2-CD1 3.6Å; F616-Y691 AromaticContact CE2-CE1 3.79Å; F616-Y691 HydrophobicContact CE2-CE1 3.79Å; F616-Y691 HydrophobicContact CE2-CG 4.3Å; F616-Y691 HydrophobicContact CG-CD1 4.01Å; F616-Y691 AromaticContact CG-CE1 3.63Å; F616-Y691 HydrophobicContact CG-CE1 3.63Å; F616-Y691 HydrophobicContact CZ-CD1 4.06Å; F616-Y691 AromaticContact CZ-CE1 3.86Å; F616-Y691 HydrophobicContact CZ-CE1 3.86Å; F616-F694 VanDerWaalsContact CA-CE2 3.49Å; F616-F694 HydrophobicContact CB-CD1 4.4Å; F616-F694 HydrophobicContact CB-CD2 4.44Å; F616-F694 HydrophobicContact CB-CE1 4.28Å; F616-F694 HydrophobicContact CB-CE2 4.32Å; F616-F694 HydrophobicContact CB-CG 4.46Å; F616-F694 HydrophobicContact CB-CZ 4.24Å; F616-F694 HydrophobicContact CD2-CB 3.65Å; F616-F694 AromaticContact CD2-CD1 3.92Å; F616-F694 HydrophobicContact CD2-CD1 3.92Å; F616-F694 HydrophobicContact CD2-CD2 4.17Å; F616-F694 AromaticContact CD2-CG 3.66Å; F616-F694 HydrophobicContact CD2-CG 3.66Å; F616-F694 HydrophobicContact CE2-CB 3.99Å; F616-F694 HydrophobicContact CE2-CG 4.48Å
617	Q	96.7	Very high	95.5	Very high	112 Å²	112	50.4 Å²	50.4	52%	0.523	25%	0.254	S	S	.	.	H	α-helix	trans	-59.4	-42.8	-178.5	-67.9	-179.5	14.7	0	0	111.9	E613 A621	E613-Q617 WeakPolarHBondContact O-CG 3.05Å; E613-Q617 PolarHBondContact O-N 3.45Å; E613-Q617 WeakPolarHBondContact OE1-CG 3.4Å; E613-Q617 PolarHBondContact OE1-NE2 3.19Å; Q617-A621 WeakPolarHBondContact O-CB 3.3Å; Q617-A621 PolarHBondContact O-N 3.08Å
618	Q	97.3	Very high	95.5	Very high	45 Å²	45	51.8 Å²	51.8	21%	0.21	26%	0.257	C	S	.	.	H	α-helix	trans	-71.7	-43.5	-178.7	-74.2	172.8	99.3	0	0	113	T605 D614 S615 F616 M620 A621 L622	T605-Q618 PolarHBondContact O-NE2 3Å; D614-Q618 WeakPolarHBondContact O-CB 3.38Å; D614-Q618 WeakPolarHBondContact O-CG 3.38Å; D614-Q618 PolarHBondContact O-N 2.71Å; D614-Q618 PolarHBondContact O-NE2 3.2Å; S615-Q618 PolarHBondContact O-N 3.45Å; F616-Q618 VanDerWaalsContact C-N 3.33Å; F616-Q618 PolarHBondContact O-N 3.46Å; Q618-M620 VanDerWaalsContact C-N 3.35Å; Q618-A621 PolarHBondContact O-N 3.5Å; Q618-L622 WeakPolarHBondContact O-CD1 3.39Å; Q618-L622 VanDerWaalsContact O-CG 3.22Å; Q618-L622 WeakPolarHBondContact O-CG 3.42Å; Q618-L622 PolarHBondContact O-N 2.96Å; Q618-L622 VanDerWaalsContact O-N 3.15Å
619	I	98.1	Very high	95.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-71.9	-29.8	-179.5	-73.6	170.1	0	0	0	112.1	I604 S615 F616 L627 W650 F694 R697 M701	I604-I619 HydrophobicContact CD1-CD1 4.49Å; I604-I619 HydrophobicContact CD1-CG1 4.4Å; S615-I619 WeakPolarHBondContact O-CB 3.22Å; S615-I619 PolarHBondContact O-N 3.37Å; F616-I619 PolarHBondContact O-N 2.94Å; I619-L627 HydrophobicContact CG1-CD2 4.37Å; I619-L627 HydrophobicContact CG2-CD1 4.02Å; I619-L627 HydrophobicContact CG2-CD2 4.49Å; I619-W650 HydrophobicContact CD1-CH2 3.52Å; I619-W650 HydrophobicContact CD1-CZ2 3.62Å; I619-F694 HydrophobicContact CB-CD2 3.95Å; I619-F694 HydrophobicContact CB-CE2 3.96Å; I619-F694 HydrophobicContact CD1-CE2 3.89Å; I619-F694 HydrophobicContact CG1-CE2 4.44Å; I619-F694 HydrophobicContact CG2-CD2 3.86Å; I619-F694 HydrophobicContact CG2-CE2 4.23Å; I619-R697 HydrophobicContact CG2-CB 3.94Å; I619-R697 PolarHBondContact O-NH1 2.86Å; I619-M701 HydrophobicContact CD1-CE 3.88Å; I619-M701 HydrophobicContact CD1-SD 3.84Å; I619-M701 HydrophobicContact CG1-CE 4.36Å; I619-M701 HydrophobicContact CG1-SD 4.21Å; I619-M701 HydrophobicContact CG2-SD 4.28Å
620	M	97.8	Very high	95.9	Very high	57 Å²	57	52.3 Å²	52.3	28%	0.281	25%	0.252	S	S	.	.	H	α-helix	trans	-81.1	-30.9	176.3	-63.6	-56.3	-76.8	0	0	112.9	F616 Q618 L622 C693 F694	F616-M620 HydrophobicContact CD2-CG 3.85Å; F616-M620 HydrophobicContact CE2-CG 3.73Å; F616-M620 HydrophobicContact CZ-CG 4.43Å; F616-M620 WeakPolarHBondContact O-CB 3.12Å; F616-M620 VanDerWaalsContact O-CG 3.28Å; F616-M620 WeakPolarHBondContact O-CG 3.42Å; F616-M620 PolarHBondContact O-N 2.88Å; Q618-M620 VanDerWaalsContact C-N 3.35Å; M620-L622 VanDerWaalsContact C-N 3.33Å; M620-C693 HydrophobicContact CE-CB 4.16Å; M620-F694 HydrophobicContact CG-CB 4.02Å; M620-F694 HydrophobicContact SD-CB 3.74Å
621	A	97.3	Very high	95.9	Very high	89 Å²	89	49.8 Å²	49.8	74%	0.736	24%	0.236	S	C	*	.	H	α-helix	trans	-72.2	-24.3	172.2	0	0	0	0	0	113.5	Q617 Q618	Q617-A621 WeakPolarHBondContact O-CB 3.3Å; Q617-A621 PolarHBondContact O-N 3.08Å; Q618-A621 PolarHBondContact O-N 3.5Å
622	L	96.7	Very high	95.9	Very high	45 Å²	45	53.1 Å²	53.1	24%	0.236	25%	0.249	C	C	.	.	S	Bend	trans	-77	147.7	174.6	-74	164.9	0	0	0	111.9	V602 Q618 M620 L627 R697	V602-L622 HydrophobicContact CG2-CD1 3.6Å; V602-L622 HydrophobicContact CG2-CD2 3.76Å; V602-L622 HydrophobicContact CG2-CG 4.36Å; Q618-L622 WeakPolarHBondContact O-CD1 3.39Å; Q618-L622 VanDerWaalsContact O-CG 3.22Å; Q618-L622 WeakPolarHBondContact O-CG 3.42Å; Q618-L622 PolarHBondContact O-N 2.96Å; Q618-L622 VanDerWaalsContact O-N 3.15Å; M620-L622 VanDerWaalsContact C-N 3.33Å; L622-L627 HydrophobicContact CB-CD2 3.93Å; L622-L627 HydrophobicContact CD1-CD2 3.7Å; L622-L627 HydrophobicContact CG-CD2 4.46Å; L622-R697 PolarHBondContact O-NH1 3.4Å; L622-R697 VanDerWaalsContact O-NH1 3.13Å
623	K	96.9	Very high	95.9	Very high	120 Å²	120	53 Å²	53	52%	0.522	25%	0.249	S	C	.	.			trans	-74.2	142.1	169.9	-63.3	177.7	173.7	-179.8	0	109.4	Y625 D626	K623-Y625 VanDerWaalsContact C-N 3.3Å; K623-Y625 HydrophobicContact CB-CD1 4.32Å; K623-Y625 HydrophobicContact CB-CE1 3.99Å; K623-Y625 HydrophobicContact CB-CE2 4.47Å; K623-Y625 HydrophobicContact CD-CE1 3.81Å; K623-Y625 HydrophobicContact CD-CE2 4.39Å; K623-Y625 WeakPolarHBondContact CD-OH 3.39Å; K623-Y625 PolarHBondContact NZ-OH 2.73Å; K623-Y625 PolarHBondContact O-N 3.38Å; K623-Y625 VanDerWaalsContact O-N 3.16Å; K623-D626 WeakPolarHBondContact O-CB 3.47Å; K623-D626 PolarHBondContact O-N 3.27Å
624	P	96.2	Very high	95.9	Very high	28 Å²	28	52.6 Å²	52.6	18%	0.182	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-58.1	-37.2	-171.9	-27.4	33.8	0	0	0	115.3	D626 L627 E817 V818	P624-D626 VanDerWaalsContact C-N 3.28Å; P624-D626 PolarHBondContact O-N 3.04Å; P624-L627 VanDerWaalsContact O-CB 3.3Å; P624-L627 WeakPolarHBondContact O-CB 3.43Å; P624-L627 PolarHBondContact O-N 3Å; P624-E817 HydrophobicContact CB-CB 3.69Å; P624-E817 HydrophobicContact CB-CG 4.49Å; P624-E817 WeakPolarHBondContact CB-O 3.43Å; P624-E817 HydrophobicContact CG-CB 3.8Å; P624-E817 HydrophobicContact CG-CG 4.09Å; P624-E817 WeakPolarHBondContact CG-OE2 3.46Å; P624-V818 HydrophobicContact CB-CG2 4.14Å
625	Y	93.6	Very high	95.8	Very high	103 Å²	103	51.8 Å²	51.8	40%	0.404	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-66.7	-28.9	178.3	62.7	-108.7	0	0	0	112.7	L598 K623 L627 R628	L598-Y625 HydrophobicContact CD1-CD2 3.71Å; L598-Y625 HydrophobicContact CD1-CG 4.46Å; L598-Y625 VanDerWaalsContact CD1-O 3.3Å; L598-Y625 WeakPolarHBondContact CD1-O 3.3Å; K623-Y625 VanDerWaalsContact C-N 3.3Å; K623-Y625 HydrophobicContact CB-CD1 4.32Å; K623-Y625 HydrophobicContact CB-CE1 3.99Å; K623-Y625 HydrophobicContact CB-CE2 4.47Å; K623-Y625 HydrophobicContact CD-CE1 3.81Å; K623-Y625 HydrophobicContact CD-CE2 4.39Å; K623-Y625 WeakPolarHBondContact CD-OH 3.39Å; K623-Y625 PolarHBondContact NZ-OH 2.73Å; K623-Y625 PolarHBondContact O-N 3.38Å; K623-Y625 VanDerWaalsContact O-N 3.16Å; Y625-L627 PolarHBondContact O-N 3.48Å; Y625-R628 VanDerWaalsContact O-CB 3.3Å; Y625-R628 WeakPolarHBondContact O-CB 3.47Å; Y625-R628 PolarHBondContact O-N 3.15Å
626	D	96.6	Very high	95.5	Very high	29 Å²	29	57.7 Å²	57.7	16%	0.155	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-70.3	-20.6	177.8	-71.8	-52.1	0	0	0	111.8	K623 P624 R628 R629	K623-D626 WeakPolarHBondContact O-CB 3.47Å; K623-D626 PolarHBondContact O-N 3.27Å; P624-D626 VanDerWaalsContact C-N 3.28Å; P624-D626 PolarHBondContact O-N 3.04Å; D626-R628 PolarHBondContact O-N 2.89Å; D626-R629 WeakPolarHBondContact O-CB 3.35Å; D626-R629 WeakPolarHBondContact O-CG 3.32Å; D626-R629 PolarHBondContact O-N 3.09Å; D626-R629 VanDerWaalsContact O-N 3.12Å; D626-R629 IonicContact OD1-CZ 3.16Å; D626-R629 IonicContact OD1-NE 2.77Å; D626-R629 PolarHBondContact OD1-NE 3.01Å; D626-R629 IonicContact OD1-NH2 2.7Å; D626-R629 PolarHBondContact OD1-NH2 3.38Å
627	L	97.3	Very high	95	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-69.5	-9.1	170.8	-53.4	173.6	0	0	0	112.8	I619 L622 P624 Y625 R697 M701 H705 V818	I619-L627 HydrophobicContact CG1-CD2 4.37Å; I619-L627 HydrophobicContact CG2-CD1 4.02Å; I619-L627 HydrophobicContact CG2-CD2 4.49Å; L622-L627 HydrophobicContact CB-CD2 3.93Å; L622-L627 HydrophobicContact CD1-CD2 3.7Å; L622-L627 HydrophobicContact CG-CD2 4.46Å; P624-L627 VanDerWaalsContact O-CB 3.3Å; P624-L627 WeakPolarHBondContact O-CB 3.43Å; P624-L627 PolarHBondContact O-N 3Å; Y625-L627 PolarHBondContact O-N 3.48Å; L627-R697 HydrophobicContact CD1-CB 4.27Å; L627-R697 HydrophobicContact CD1-CG 4.39Å; L627-M701 HydrophobicContact CB-CG 4.01Å; L627-M701 HydrophobicContact CB-SD 4.08Å; L627-M701 HydrophobicContact CD1-CG 4.48Å; L627-M701 HydrophobicContact CD1-SD 3.93Å; L627-M701 HydrophobicContact CD2-CE 4.32Å; L627-M701 HydrophobicContact CD2-SD 3.94Å; L627-M701 HydrophobicContact CG-SD 4.2Å; L627-H705 PolarHBondContact O-NE2 2.96Å; L627-V818 HydrophobicContact CB-CG1 4.44Å; L627-V818 HydrophobicContact CB-CG2 4.43Å; L627-V818 HydrophobicContact CD1-CG2 3.79Å
628	R	96.1	Very high	94.6	Very high	44 Å²	44	58.9 Å²	58.9	17%	0.166	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-86.8	-0.2	170.3	-57.8	-176.8	-173.6	151.5	8.3	113.6	L598 Y625 D626 F704 E817 V818	L598-R628 PolarHBondContact N-O 3.07Å; Y625-R628 VanDerWaalsContact O-CB 3.3Å; Y625-R628 WeakPolarHBondContact O-CB 3.47Å; Y625-R628 PolarHBondContact O-N 3.15Å; D626-R628 PolarHBondContact O-N 2.89Å; R628-F704 HydrophobicContact CB-CD1 4.45Å; R628-F704 HydrophobicContact CB-CE1 3.72Å; R628-F704 HydrophobicContact CB-CE2 4.22Å; R628-F704 HydrophobicContact CB-CZ 3.58Å; R628-F704 HydrophobicContact CG-CD2 4.29Å; R628-F704 HydrophobicContact CG-CE1 4.11Å; R628-F704 HydrophobicContact CG-CE2 3.83Å; R628-F704 HydrophobicContact CG-CZ 3.73Å; R628-E817 PolarHBondContact NH2-O 3.22Å; R628-V818 VanDerWaalsContact CZ-O 3.25Å; R628-V818 PolarHBondContact NE-O 2.89Å; R628-V818 PolarHBondContact NH2-O 3.09Å
629	R	94.1	Very high	93.5	Very high	60 Å²	60	65.9 Å²	65.9	23%	0.226	33%	0.328	C	S	.	.	S	Bend	trans	-80	162.1	170.4	-61.5	-179.7	-165	-81.9	-0.5	110.6	L598 P599 V602 D626 L631 H705	L598-R629 HydrophobicContact CB-CG 3.63Å; P599-R629 PolarHBondContact O-NH1 3.13Å; V602-R629 HydrophobicContact CB-CB 4.47Å; V602-R629 HydrophobicContact CG1-CB 4.37Å; D626-R629 WeakPolarHBondContact O-CB 3.35Å; D626-R629 WeakPolarHBondContact O-CG 3.32Å; D626-R629 PolarHBondContact O-N 3.09Å; D626-R629 VanDerWaalsContact O-N 3.12Å; D626-R629 IonicContact OD1-CZ 3.16Å; D626-R629 IonicContact OD1-NE 2.77Å; D626-R629 PolarHBondContact OD1-NE 3.01Å; D626-R629 IonicContact OD1-NH2 2.7Å; D626-R629 PolarHBondContact OD1-NH2 3.38Å; R629-L631 PolarHBondContact O-N 2.68Å; R629-H705 PolarHBondContact O-CE1 2.98Å
630	R	91.5	Very high	92.1	Very high	185 Å²	185	67.6 Å²	67.6	70%	0.698	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57	125.2	176.5	-66.7	-177.6	175.6	-174.6	-1.6	110.8	S600 H601 V602	S600-R630 PolarHBondContact O-N 2.93Å; H601-R630 CarbonylContact C-O 3.58Å; H601-R630 WeakPolarHBondContact CA-O 3.31Å; H601-R630 HydrophobicContact CB-CB 4.19Å; H601-R630 VanDerWaalsContact CB-O 3.3Å; H601-R630 WeakPolarHBondContact CB-O 3.22Å; V602-R630 PolarHBondContact N-O 2.88Å
631	L	93.5	Very high	90.6	Very high	18 Å²	18	73.4 Å²	73.4	9%	0.094	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	120.2	-178.6	-54.4	-177.8	0	0	0	111.1	V602 I604 R629 F651 M701 H705	V602-L631 HydrophobicContact CG1-CD2 3.57Å; I604-L631 HydrophobicContact CD1-CD2 4.38Å; R629-L631 PolarHBondContact O-N 2.68Å; L631-F651 HydrophobicContact CD1-CE2 3.81Å; L631-F651 HydrophobicContact CD1-CZ 3.93Å; L631-M701 HydrophobicContact CD1-CE 3.65Å; L631-M701 HydrophobicContact CD2-CE 3.88Å; L631-M701 HydrophobicContact CG-CE 4.44Å; L631-H705 VanDerWaalsContact CD1-CD2 3.48Å; L631-H705 WeakPolarHBondContact CD1-CD2 3.25Å
632	Y	93.6	Very high	89.5	Confident	70 Å²	70	73.5 Å²	73.5	28%	0.275	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	94.2	171.5	-83.4	30.9	0	0	0	108.2	H601 V602 K603 I604 Y643	H601-Y632 HydrophobicContact CB-CD1 3.92Å; H601-Y632 HydrophobicContact CB-CE1 4.04Å; H601-Y632 HydrophobicContact CB-CG 4.24Å; H601-Y632 AromaticContact CD2-CD2 3.56Å; H601-Y632 AromaticContact CD2-CE2 3.98Å; H601-Y632 AromaticContact CD2-CG 3.76Å; V602-Y632 PolarHBondContact O-N 2.98Å; K603-Y632 WeakPolarHBondContact CA-O 3.26Å; I604-Y632 PolarHBondContact N-O 2.8Å; Y632-Y643 HydrophobicContact CD1-CD1 4.33Å; Y632-Y643 HydrophobicContact CD1-CG 4.26Å; Y632-Y643 AromaticContact CD2-CD1 3.66Å; Y632-Y643 HydrophobicContact CD2-CD1 3.66Å; Y632-Y643 HydrophobicContact CD2-CD2 4.25Å; Y632-Y643 AromaticContact CD2-CE1 3.46Å; Y632-Y643 HydrophobicContact CD2-CE1 3.46Å; Y632-Y643 VanDerWaalsContact CD2-CE1 3.46Å; Y632-Y643 HydrophobicContact CD2-CE2 4.11Å; Y632-Y643 HydrophobicContact CD2-CG 4.04Å; Y632-Y643 AromaticContact CD2-CZ 3.71Å; Y632-Y643 HydrophobicContact CE1-CG 4.43Å; Y632-Y643 HydrophobicContact CE2-CD1 4.24Å; Y632-Y643 AromaticContact CE2-CD2 4Å; Y632-Y643 HydrophobicContact CE2-CD2 4Å; Y632-Y643 HydrophobicContact CE2-CE1 4.02Å; Y632-Y643 AromaticContact CE2-CE2 3.79Å; Y632-Y643 HydrophobicContact CE2-CE2 3.79Å; Y632-Y643 HydrophobicContact CE2-CG 4.22Å; Y632-Y643 AromaticContact CE2-CZ 3.8Å; Y632-Y643 AromaticContact CG-CD1 3.7Å; Y632-Y643 HydrophobicContact CG-CD1 3.7Å; Y632-Y643 AromaticContact CG-CE1 3.98Å; Y632-Y643 HydrophobicContact CG-CE1 3.98Å; Y632-Y643 HydrophobicContact CG-CG 4.06Å
633	V	94.3	Very high	88.4	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	136.2	175	-172.3	0	0	0	0	109.8	I604 V606 F635 A647 W650	I604-V633 HydrophobicContact CB-CG2 4.49Å; I604-V633 CarbonylContact O-C 3.58Å; I604-V633 WeakPolarHBondContact O-CA 3.4Å; V606-V633 HydrophobicContact CG2-CG1 4.14Å; V633-F635 HydrophobicContact CG1-CE2 4.46Å; V633-A647 HydrophobicContact CG2-CB 4.29Å; V633-W650 HydrophobicContact CB-CB 4.32Å; V633-W650 HydrophobicContact CB-CG 4.45Å; V633-W650 HydrophobicContact CG1-CB 3.8Å; V633-W650 HydrophobicContact CG1-CG 3.74Å; V633-W650 HydrophobicContact CG2-CB 4.08Å; V633-W650 HydrophobicContact CG2-CD2 4.05Å; V633-W650 HydrophobicContact CG2-CE3 4.23Å; V633-W650 HydrophobicContact CG2-CG 3.98Å
634	I	93.7	Very high	87.5	Confident	52 Å²	52	71.3 Å²	71.3	27%	0.267	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	119.2	-178.6	-56.6	173.6	0	0	0	107.8	K603 I604 T605 V606	K603-I634 HydrophobicContact CD-CD1 4.18Å; I604-I634 PolarHBondContact O-N 3.43Å; T605-I634 CarbonylContact C-O 3.31Å; T605-I634 WeakPolarHBondContact CA-O 3.37Å; T605-I634 HydrophobicContact CG2-CB 4.38Å; T605-I634 HydrophobicContact CG2-CG2 4.37Å; V606-I634 PolarHBondContact N-O 2.68Å
635	F	94.2	Very high	86.9	Confident	1 Å²	1	71.2 Å²	71.2	0%	0.004	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	128.1	170.1	-70.1	-80.8	0	0	0	109.8	V606 R608 L611 V633 G637 E638 L646 W650	V606-F635 HydrophobicContact CG2-CD1 3.7Å; V606-F635 HydrophobicContact CG2-CE1 3.75Å; V606-F635 HydrophobicContact CG2-CG 4.41Å; V606-F635 HydrophobicContact CG2-CZ 4.49Å; V606-F635 CarbonylContact O-C 3.57Å; V606-F635 WeakPolarHBondContact O-CA 3.45Å; R608-F635 HydrophobicContact CG-CD1 3.54Å; R608-F635 HydrophobicContact CG-CE1 3.87Å; R608-F635 HydrophobicContact CG-CG 4.33Å; L611-F635 HydrophobicContact CD1-CE1 4.24Å; V633-F635 HydrophobicContact CG1-CE2 4.46Å; F635-G637 PolarHBondContact O-N 3.34Å; F635-E638 HydrophobicContact CB-CB 4.09Å; F635-E638 HydrophobicContact CB-CG 4.28Å; F635-E638 WeakPolarHBondContact CB-OE2 3.03Å; F635-E638 PolarHBondContact O-N 2.76Å; F635-L646 HydrophobicContact CD2-CD1 4.44Å; F635-L646 HydrophobicContact CD2-CD2 4.03Å; F635-L646 HydrophobicContact CE2-CB 4.48Å; F635-L646 HydrophobicContact CE2-CD2 4.24Å; F635-W650 HydrophobicContact CZ-CB 4.17Å
636	R	93.1	Very high	86.7	Confident	123 Å²	123	67.8 Å²	67.8	46%	0.464	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	116.5	-175.6	-69.2	178.4	-167.1	145.3	9.9	110.6	T605 V606 D614	T605-R636 HydrophobicContact CG2-CG 3.87Å; T605-R636 PolarHBondContact O-NE 3.04Å; T605-R636 PolarHBondContact O-NH2 3.08Å; V606-R636 WeakPolarHBondContact O-CG 3.45Å; V606-R636 PolarHBondContact O-N 3.48Å; D614-R636 VanDerWaalsContact CG-NH1 3.31Å; D614-R636 VanDerWaalsContact CG-NH2 3.34Å; D614-R636 IonicContact OD1-CZ 2.78Å; D614-R636 IonicContact OD1-NH1 2.88Å; D614-R636 PolarHBondContact OD1-NH1 3.01Å; D614-R636 IonicContact OD1-NH2 3.18Å; D614-R636 PolarHBondContact OD1-NH2 2.84Å; D614-R636 IonicContact OD2-CZ 2.92Å; D614-R636 IonicContact OD2-NH1 3.92Å; D614-R636 PolarHBondContact OD2-NH1 3.1Å; D614-R636 IonicContact OD2-NH2 2.69Å
637	G	87.1	Confident	86.4	Confident	89 Å²	89	66.5 Å²	66.5	92%	0.918	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.6	6	-179.7	0	0	0	0	0	114.8	F635	F635-G637 PolarHBondContact O-N 3.34Å
638	E	87	Confident	86	Confident	79 Å²	79	70.4 Å²	70.4	37%	0.369	36%	0.36	S	S	.	.			trans	-119.3	134.9	-179.5	-67.7	166.3	-135.9	0	0	111	R608 F635 G640	R608-E638 WeakPolarHBondContact CD-OE1 3.31Å; R608-E638 IonicContact CZ-OE1 2.66Å; R608-E638 IonicContact CZ-OE2 2.87Å; R608-E638 VanDerWaalsContact CZ-OE2 3.24Å; R608-E638 IonicContact NE-OE1 3.8Å; R608-E638 PolarHBondContact NE-OE1 2.77Å; R608-E638 IonicContact NE-OE2 3.18Å; R608-E638 PolarHBondContact NE-OE2 2.74Å; R608-E638 IonicContact NH2-OE2 3.03Å; R608-E638 PolarHBondContact NH2-OE2 2.92Å; F635-E638 HydrophobicContact CB-CB 4.09Å; F635-E638 HydrophobicContact CB-CG 4.28Å; F635-E638 WeakPolarHBondContact CB-OE2 3.03Å; F635-E638 PolarHBondContact O-N 2.76Å; E638-G640 PolarHBondContact O-N 3.03Å
639	E	75.5	Confident	85.8	Confident	191 Å²	191	70.4 Å²	70.4	89%	0.893	36%	0.362	S	S	*	.			trans	-83.3	105.9	176.3	-67	-166.6	161.1	0	0	111	L641	E639-L641 PolarHBondContact O-N 3.28Å
640	G	68.9	Low	85.8	Confident	36 Å²	36	67.6 Å²	67.6	37%	0.371	35%	0.351	S	S	.	.			trans	-79.5	102.4	179.8	0	0	0	0	0	113.4	E638	E638-G640 PolarHBondContact O-N 3.03Å
641	L	64.8	Low	86	Confident	180 Å²	180	58.8 Å²	58.8	94%	0.942	32%	0.318	S	S	*	.	S	Bend	trans	-71	-32.7	174	-68.1	170.5	0	0	0	113.4	E639	E639-L641 PolarHBondContact O-N 3.28Å
642	D	74.1	Confident	85.9	Confident	91 Å²	91	58 Å²	58	49%	0.487	31%	0.313	S	S	.	.			trans	-138	115.8	176.2	173	34.8	0	0	0	112.2	G644 G645 L646	D642-G644 VanDerWaalsContact CG-N 3.32Å; D642-G644 PolarHBondContact O-N 3.24Å; D642-G644 WeakPolarHBondContact OD1-CA 3.43Å; D642-G644 PolarHBondContact OD1-N 2.92Å; D642-G645 PolarHBondContact O-N 3.24Å; D642-G645 PolarHBondContact OD2-N 2.88Å; D642-L646 PolarHBondContact O-N 3.14Å; D642-L646 VanDerWaalsContact O-N 3.16Å
643	Y	75.5	Confident	85.8	Confident	95 Å²	95	56.1 Å²	56.1	37%	0.373	31%	0.308	S	S	.	.	H	α-helix	trans	-61.2	-28.7	172.8	-60.1	-80	0	0	0	112.7	Y632 A647	Y632-Y643 HydrophobicContact CD1-CD1 4.33Å; Y632-Y643 HydrophobicContact CD1-CG 4.26Å; Y632-Y643 AromaticContact CD2-CD1 3.66Å; Y632-Y643 HydrophobicContact CD2-CD1 3.66Å; Y632-Y643 HydrophobicContact CD2-CD2 4.25Å; Y632-Y643 AromaticContact CD2-CE1 3.46Å; Y632-Y643 HydrophobicContact CD2-CE1 3.46Å; Y632-Y643 VanDerWaalsContact CD2-CE1 3.46Å; Y632-Y643 HydrophobicContact CD2-CE2 4.11Å; Y632-Y643 HydrophobicContact CD2-CG 4.04Å; Y632-Y643 AromaticContact CD2-CZ 3.71Å; Y632-Y643 HydrophobicContact CE1-CG 4.43Å; Y632-Y643 HydrophobicContact CE2-CD1 4.24Å; Y632-Y643 AromaticContact CE2-CD2 4Å; Y632-Y643 HydrophobicContact CE2-CD2 4Å; Y632-Y643 HydrophobicContact CE2-CE1 4.02Å; Y632-Y643 AromaticContact CE2-CE2 3.79Å; Y632-Y643 HydrophobicContact CE2-CE2 3.79Å; Y632-Y643 HydrophobicContact CE2-CG 4.22Å; Y632-Y643 AromaticContact CE2-CZ 3.8Å; Y632-Y643 AromaticContact CG-CD1 3.7Å; Y632-Y643 HydrophobicContact CG-CD1 3.7Å; Y632-Y643 AromaticContact CG-CE1 3.98Å; Y632-Y643 HydrophobicContact CG-CE1 3.98Å; Y632-Y643 HydrophobicContact CG-CG 4.06Å; Y643-A647 VanDerWaalsContact O-CB 3.29Å; Y643-A647 WeakPolarHBondContact O-CB 3.46Å; Y643-A647 PolarHBondContact O-N 2.86Å
644	G	77.2	Confident	85.9	Confident	24 Å²	24	56.1 Å²	56.1	25%	0.247	31%	0.308	C	S	.	.	H	α-helix	trans	-64.4	-47.4	179.1	0	0	0	0	0	112.7	D642 R648 K707	D642-G644 VanDerWaalsContact CG-N 3.32Å; D642-G644 PolarHBondContact O-N 3.24Å; D642-G644 WeakPolarHBondContact OD1-CA 3.43Å; D642-G644 PolarHBondContact OD1-N 2.92Å; G644-R648 WeakPolarHBondContact O-CG 3.21Å; G644-R648 PolarHBondContact O-N 2.7Å; G644-K707 PolarHBondContact O-NZ 2.86Å; G644-K707 VanDerWaalsContact O-NZ 3.1Å
645	G	82.7	Confident	85.8	Confident	26 Å²	26	53.6 Å²	53.6	27%	0.268	30%	0.295	S	S	.	.	H	α-helix	trans	-66.4	-49.7	174.1	0	0	0	0	0	113	D642 A647 R648 E649	D642-G645 PolarHBondContact O-N 3.24Å; D642-G645 PolarHBondContact OD2-N 2.88Å; G645-A647 PolarHBondContact O-N 3.4Å; G645-R648 WeakPolarHBondContact O-CB 3.4Å; G645-R648 PolarHBondContact O-N 3.16Å; G645-E649 PolarHBondContact O-N 3.5Å
646	L	89.6	Confident	85.5	Confident	30 Å²	30	55 Å²	55	16%	0.157	30%	0.302	C	S	.	.	H	α-helix	trans	-58.4	-37	177	-67.4	-169.3	0	0	0	112.2	F635 D642 E649 W650	F635-L646 HydrophobicContact CD2-CD1 4.44Å; F635-L646 HydrophobicContact CD2-CD2 4.03Å; F635-L646 HydrophobicContact CE2-CB 4.48Å; F635-L646 HydrophobicContact CE2-CD2 4.24Å; D642-L646 PolarHBondContact O-N 3.14Å; D642-L646 VanDerWaalsContact O-N 3.16Å; L646-E649 PolarHBondContact O-N 3.45Å; L646-W650 WeakPolarHBondContact O-CB 3.4Å; L646-W650 PolarHBondContact O-N 3.03Å
647	A	90.4	Very high	85.4	Confident	3 Å²	3	49.9 Å²	49.9	3%	0.025	28%	0.283	C	S	.	.	H	α-helix	trans	-64.4	-40.8	173	0	0	0	0	0	112.6	V633 Y643 G645 E649 W650 F651	V633-A647 HydrophobicContact CG2-CB 4.29Å; Y643-A647 VanDerWaalsContact O-CB 3.29Å; Y643-A647 WeakPolarHBondContact O-CB 3.46Å; Y643-A647 PolarHBondContact O-N 2.86Å; G645-A647 PolarHBondContact O-N 3.4Å; A647-E649 VanDerWaalsContact C-N 3.35Å; A647-W650 PolarHBondContact O-N 3.2Å; A647-F651 VanDerWaalsContact O-CD2 3.27Å; A647-F651 WeakPolarHBondContact O-CD2 3.38Å; A647-F651 PolarHBondContact O-N 3.47Å; A647-F651 VanDerWaalsContact O-N 3.07Å
648	R	90.1	Very high	85.6	Confident	82 Å²	82	45.7 Å²	45.7	31%	0.309	24%	0.24	S	C	.	.	H	α-helix	trans	-60.8	-45	175.5	-66.6	-176	179.9	115.1	-3.4	111.2	Y477 G644 G645 F652 K707	Y477-R648 HydrophobicContact CD1-CG 4.44Å; Y477-R648 HydrophobicContact CD2-CG 4.39Å; Y477-R648 HydrophobicContact CE1-CG 3.92Å; Y477-R648 HydrophobicContact CE2-CB 4.16Å; Y477-R648 HydrophobicContact CE2-CG 3.87Å; G644-R648 WeakPolarHBondContact O-CG 3.21Å; G644-R648 PolarHBondContact O-N 2.7Å; G645-R648 WeakPolarHBondContact O-CB 3.4Å; G645-R648 PolarHBondContact O-N 3.16Å; R648-F652 WeakPolarHBondContact O-CB 3.43Å; R648-F652 PolarHBondContact O-N 3.49Å; R648-K707 HydrophobicContact CG-CD 4.3Å
649	E	90.7	Very high	85.7	Confident	44 Å²	44	43.1 Å²	43.1	21%	0.206	23%	0.228	C	C	.	.	H	α-helix	trans	-64.4	-43.5	179	-172.7	179.4	-153.3	0	0	111.9	M470 R608 G645 L646 A647 F652 L653	M470-E649 HydrophobicContact CE-CB 3.78Å; M470-E649 HydrophobicContact CE-CG 4.18Å; R608-E649 IonicContact CZ-OE1 3.86Å; R608-E649 IonicContact CZ-OE2 3.07Å; R608-E649 IonicContact NH1-OE1 3.67Å; R608-E649 PolarHBondContact NH1-OE1 2.92Å; R608-E649 IonicContact NH1-OE2 3.66Å; R608-E649 PolarHBondContact NH1-OE2 2.8Å; R608-E649 IonicContact NH2-OE1 2.81Å; R608-E649 PolarHBondContact NH2-OE1 2.8Å; R608-E649 IonicContact NH2-OE2 3.86Å; R608-E649 PolarHBondContact NH2-OE2 3.16Å; G645-E649 PolarHBondContact O-N 3.5Å; L646-E649 PolarHBondContact O-N 3.45Å; A647-E649 VanDerWaalsContact C-N 3.35Å; E649-F652 WeakPolarHBondContact O-CB 3.27Å; E649-F652 PolarHBondContact O-N 3.14Å; E649-L653 HydrophobicContact CG-CD1 3.77Å; E649-L653 HydrophobicContact CG-CG 4.13Å; E649-L653 WeakPolarHBondContact O-CB 3.26Å; E649-L653 WeakPolarHBondContact O-CG 3.4Å; E649-L653 PolarHBondContact O-N 2.83Å
650	W	94.8	Very high	86.3	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.7	-44.6	177.4	175.4	84.4	0	0	0	112.6	I604 S615 I619 V633 F635 L646 A647 F652 L654 F698 M701	I604-W650 HydrophobicContact CG2-CZ2 4.4Å; S615-W650 PolarHBondContact OG-NE1 3.27Å; I619-W650 HydrophobicContact CD1-CH2 3.52Å; I619-W650 HydrophobicContact CD1-CZ2 3.62Å; V633-W650 HydrophobicContact CB-CB 4.32Å; V633-W650 HydrophobicContact CB-CG 4.45Å; V633-W650 HydrophobicContact CG1-CB 3.8Å; V633-W650 HydrophobicContact CG1-CG 3.74Å; V633-W650 HydrophobicContact CG2-CB 4.08Å; V633-W650 HydrophobicContact CG2-CD2 4.05Å; V633-W650 HydrophobicContact CG2-CE3 4.23Å; V633-W650 HydrophobicContact CG2-CG 3.98Å; F635-W650 HydrophobicContact CZ-CB 4.17Å; L646-W650 WeakPolarHBondContact O-CB 3.4Å; L646-W650 PolarHBondContact O-N 3.03Å; A647-W650 PolarHBondContact O-N 3.2Å; W650-F652 PolarHBondContact O-N 3.18Å; W650-L654 HydrophobicContact CD2-CD2 4.46Å; W650-L654 HydrophobicContact CH2-CD2 3.79Å; W650-L654 HydrophobicContact CZ2-CD2 3.3Å; W650-L654 WeakPolarHBondContact O-CB 3.44Å; W650-L654 PolarHBondContact O-N 2.79Å; W650-F698 AromaticContact CH2-CD2 3.83Å; W650-F698 HydrophobicContact CH2-CD2 3.83Å; W650-F698 HydrophobicContact CH2-CE2 4.11Å; W650-F698 HydrophobicContact CZ3-CD2 4.11Å; W650-F698 HydrophobicContact CZ3-CE2 4.03Å; W650-M701 HydrophobicContact CH2-CE 4Å; W650-M701 HydrophobicContact CZ3-CE 4.3Å
651	F	95.2	Very high	87.2	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.7	-44.4	172.9	-85.5	-76.5	0	0	0	111.6	L631 A647 S655 F698 M701 A702 K707 F708 I709	L631-F651 HydrophobicContact CD1-CE2 3.81Å; L631-F651 HydrophobicContact CD1-CZ 3.93Å; A647-F651 VanDerWaalsContact O-CD2 3.27Å; A647-F651 WeakPolarHBondContact O-CD2 3.38Å; A647-F651 PolarHBondContact O-N 3.47Å; A647-F651 VanDerWaalsContact O-N 3.07Å; F651-S655 WeakPolarHBondContact O-CB 3.48Å; F651-S655 PolarHBondContact O-N 3.48Å; F651-S655 PolarHBondContact O-OG 2.72Å; F651-F698 HydrophobicContact CD1-CD2 4.02Å; F651-F698 AromaticContact CD1-CE2 3.33Å; F651-F698 HydrophobicContact CD1-CE2 3.33Å; F651-F698 AromaticContact CD1-CZ 3.87Å; F651-F698 HydrophobicContact CD1-CZ 3.87Å; F651-F698 AromaticContact CE1-CD2 3.95Å; F651-F698 HydrophobicContact CE1-CD2 3.95Å; F651-F698 AromaticContact CE1-CE2 3.75Å; F651-F698 HydrophobicContact CE1-CE2 3.75Å; F651-F698 HydrophobicContact CG-CE2 4.24Å; F651-M701 HydrophobicContact CE1-CB 4.17Å; F651-M701 HydrophobicContact CZ-CB 3.93Å; F651-A702 HydrophobicContact CD1-CB 3.79Å; F651-A702 HydrophobicContact CE1-CB 3.55Å; F651-A702 HydrophobicContact CZ-CB 4.38Å; F651-K707 HydrophobicContact CB-CB 4.42Å; F651-K707 HydrophobicContact CD1-CB 4.39Å; F651-K707 HydrophobicContact CD2-CB 3.42Å; F651-K707 VanDerWaalsContact CD2-CB 3.42Å; F651-K707 HydrophobicContact CD2-CD 4.44Å; F651-K707 HydrophobicContact CD2-CG 3.59Å; F651-K707 HydrophobicContact CE2-CB 3.66Å; F651-K707 HydrophobicContact CE2-CG 3.55Å; F651-K707 HydrophobicContact CG-CB 3.84Å; F651-K707 HydrophobicContact CG-CG 4.49Å; F651-K707 HydrophobicContact CZ-CB 4.23Å; F651-K707 HydrophobicContact CZ-CG 4.4Å; F651-F708 WeakPolarHBondContact CB-O 3.49Å; F651-I709 HydrophobicContact CD1-CG2 4.18Å
652	F	91.6	Very high	88.3	Confident	1 Å²	1	26.3 Å²	26.3	0%	0.004	14%	0.138	C	C	.	.	H	α-helix	trans	-59.3	-53	177.5	178.9	-108.6	0	0	0	112.9	L466 A469 M470 F473 R648 E649 W650 S655 H656 D710	L466-F652 HydrophobicContact CB-CE1 4.04Å; L466-F652 HydrophobicContact CB-CZ 4.16Å; L466-F652 HydrophobicContact CD2-CZ 4.12Å; A469-F652 HydrophobicContact CB-CZ 4Å; M470-F652 HydrophobicContact CB-CD1 4.39Å; M470-F652 HydrophobicContact CB-CE1 4Å; M470-F652 HydrophobicContact CB-CZ 4.5Å; M470-F652 HydrophobicContact CG-CD1 4.41Å; M470-F652 HydrophobicContact SD-CB 3.89Å; M470-F652 HydrophobicContact SD-CD1 3.42Å; M470-F652 WeakPolarHBondContact SD-CD1 3.49Å; M470-F652 HydrophobicContact SD-CD2 4.31Å; M470-F652 HydrophobicContact SD-CE1 3.97Å; M470-F652 HydrophobicContact SD-CG 3.61Å; F473-F652 HydrophobicContact CB-CD2 4.03Å; F473-F652 HydrophobicContact CB-CE2 3.9Å; F473-F652 HydrophobicContact CD1-CB 3.95Å; F473-F652 AromaticContact CD1-CD2 3.52Å; F473-F652 HydrophobicContact CD1-CD2 3.52Å; F473-F652 HydrophobicContact CD1-CE2 4.26Å; F473-F652 AromaticContact CD1-CG 3.91Å; F473-F652 HydrophobicContact CD1-CG 3.91Å; F473-F652 AromaticContact CD2-CD2 3.65Å; F473-F652 HydrophobicContact CD2-CD2 3.65Å; F473-F652 AromaticContact CD2-CE2 3.99Å; F473-F652 HydrophobicContact CD2-CE2 3.99Å; F473-F652 HydrophobicContact CE1-CB 3.58Å; F473-F652 AromaticContact CE1-CD2 3.76Å; F473-F652 HydrophobicContact CE1-CD2 3.76Å; F473-F652 HydrophobicContact CE1-CG 4.01Å; F473-F652 AromaticContact CE2-CD2 3.89Å; F473-F652 HydrophobicContact CE2-CD2 3.89Å; F473-F652 AromaticContact CG-CD2 3.44Å; F473-F652 HydrophobicContact CG-CD2 3.44Å; F473-F652 VanDerWaalsContact CG-CD2 3.44Å; F473-F652 AromaticContact CG-CE2 3.79Å; F473-F652 HydrophobicContact CG-CE2 3.79Å; F473-F652 HydrophobicContact CG-CG 4.27Å; F473-F652 HydrophobicContact CZ-CB 4.08Å; F473-F652 AromaticContact CZ-CD2 3.92Å; F473-F652 HydrophobicContact CZ-CD2 3.92Å; F473-F652 HydrophobicContact CZ-CG 4.47Å; R648-F652 WeakPolarHBondContact O-CB 3.43Å; R648-F652 PolarHBondContact O-N 3.49Å; E649-F652 WeakPolarHBondContact O-CB 3.27Å; E649-F652 PolarHBondContact O-N 3.14Å; W650-F652 PolarHBondContact O-N 3.18Å; F652-S655 PolarHBondContact O-N 2.99Å; F652-S655 PolarHBondContact O-OG 2.89Å; F652-H656 AromaticContact CE2-CE1 3.55Å; F652-H656 AromaticContact CZ-CE1 3.77Å; F652-H656 PolarHBondContact O-N 2.91Å; F652-H656 PolarHBondContact O-ND1 3.49Å; F652-D710 HydrophobicContact CD2-CB 4.22Å; F652-D710 HydrophobicContact CE2-CB 4.11Å
653	L	92.1	Very high	89.1	Confident	31 Å²	31	24.3 Å²	24.3	16%	0.162	12%	0.124	C	C	.	.	H	α-helix	trans	-68	-43.5	-177	-65.7	176.6	0	0	0	111.8	L611 E649 S655 H656 E657	L611-L653 HydrophobicContact CD2-CB 3.41Å; L611-L653 VanDerWaalsContact CD2-CB 3.41Å; L611-L653 HydrophobicContact CD2-CD1 4.4Å; E649-L653 HydrophobicContact CG-CD1 3.77Å; E649-L653 HydrophobicContact CG-CG 4.13Å; E649-L653 WeakPolarHBondContact O-CB 3.26Å; E649-L653 WeakPolarHBondContact O-CG 3.4Å; E649-L653 PolarHBondContact O-N 2.83Å; L653-S655 VanDerWaalsContact C-N 3.31Å; L653-S655 PolarHBondContact O-N 2.74Å; L653-H656 PolarHBondContact O-N 2.77Å; L653-H656 VanDerWaalsContact O-N 3.16Å; L653-E657 PolarHBondContact O-N 2.82Å; L653-E657 VanDerWaalsContact O-N 3.08Å
654	L	94.9	Very high	89.8	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-66.6	-33.9	177.7	-175	56.4	0	0	0	111.7	F612 W650 H656 E657 V658 F694 F698	F612-L654 HydrophobicContact CD2-CD1 3.99Å; W650-L654 HydrophobicContact CD2-CD2 4.46Å; W650-L654 HydrophobicContact CH2-CD2 3.79Å; W650-L654 HydrophobicContact CZ2-CD2 3.3Å; W650-L654 WeakPolarHBondContact O-CB 3.44Å; W650-L654 PolarHBondContact O-N 2.79Å; L654-H656 PolarHBondContact O-N 3.22Å; L654-H656 VanDerWaalsContact O-N 3.14Å; L654-E657 HydrophobicContact CD1-CB 4.13Å; L654-E657 PolarHBondContact O-N 2.95Å; L654-E657 VanDerWaalsContact O-N 3.1Å; L654-V658 WeakPolarHBondContact O-CG1 3.22Å; L654-V658 PolarHBondContact O-N 2.85Å; L654-V658 VanDerWaalsContact O-N 3.11Å; L654-F694 HydrophobicContact CD1-CZ 4.2Å; L654-F694 HydrophobicContact CD2-CZ 4.05Å; L654-F698 HydrophobicContact CB-CE2 3.92Å; L654-F698 HydrophobicContact CB-CZ 4.01Å; L654-F698 HydrophobicContact CD2-CD2 3.56Å; L654-F698 HydrophobicContact CD2-CE2 3.53Å; L654-F698 HydrophobicContact CD2-CG 4.31Å; L654-F698 HydrophobicContact CD2-CZ 4.26Å; L654-F698 HydrophobicContact CG-CD2 4.13Å; L654-F698 HydrophobicContact CG-CE2 3.76Å; L654-F698 HydrophobicContact CG-CZ 3.98Å
655	S	92.3	Very high	90.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-64	-15.6	174.7	77.6	0	0	0	0	114.5	F651 F652 L653 V658 D710 T711	F651-S655 WeakPolarHBondContact O-CB 3.48Å; F651-S655 PolarHBondContact O-N 3.48Å; F651-S655 PolarHBondContact O-OG 2.72Å; F652-S655 PolarHBondContact O-N 2.99Å; F652-S655 PolarHBondContact O-OG 2.89Å; L653-S655 VanDerWaalsContact C-N 3.31Å; L653-S655 PolarHBondContact O-N 2.74Å; S655-V658 WeakPolarHBondContact O-CG2 3.34Å; S655-D710 PolarHBondContact OG-N 2.89Å; S655-T711 VanDerWaalsContact CB-OG1 3.28Å; S655-T711 WeakPolarHBondContact CB-OG1 3.23Å; S655-T711 PolarHBondContact O-OG1 3.35Å
656	H	88.4	Confident	90.9	Very high	30 Å²	30	18.3 Å²	18.3	14%	0.139	9%	0.086	C	C	.	.	H	α-helix	trans	-95.1	-38.3	168.7	-70.2	89.6	0	0	0	112.5	W459 L466 F652 L653 L654 V658 L659	W459-H656 WeakPolarHBondContact CZ2-O 3.49Å; L466-H656 HydrophobicContact CD1-CB 3.99Å; L466-H656 VanDerWaalsContact CD1-CG 3.49Å; L466-H656 WeakPolarHBondContact CD2-NE2 3.27Å; F652-H656 AromaticContact CE2-CE1 3.55Å; F652-H656 AromaticContact CZ-CE1 3.77Å; F652-H656 PolarHBondContact O-N 2.91Å; F652-H656 PolarHBondContact O-ND1 3.49Å; L653-H656 PolarHBondContact O-N 2.77Å; L653-H656 VanDerWaalsContact O-N 3.16Å; L654-H656 PolarHBondContact O-N 3.22Å; L654-H656 VanDerWaalsContact O-N 3.14Å; H656-V658 VanDerWaalsContact C-N 3.29Å; H656-V658 PolarHBondContact O-N 3.04Å; H656-L659 WeakPolarHBondContact O-CB 3.33Å; H656-L659 PolarHBondContact O-N 3.38Å
657	E	90.9	Very high	90.6	Very high	16 Å²	16	19.9 Å²	19.9	8%	0.075	9%	0.093	C	C	.	.	H	α-helix	trans	-58	-37.8	177.2	-68.2	-73	-159.1	0	0	113.4	R463 L611 F612 L653 L654 L659 N660	R463-E657 VanDerWaalsContact CZ-CD 3.43Å; R463-E657 IonicContact CZ-OE1 2.75Å; R463-E657 IonicContact CZ-OE2 2.72Å; R463-E657 IonicContact NH1-OE1 2.81Å; R463-E657 PolarHBondContact NH1-OE1 2.78Å; R463-E657 IonicContact NH1-OE2 2.82Å; R463-E657 PolarHBondContact NH1-OE2 3.41Å; R463-E657 IonicContact NH2-OE1 2.7Å; R463-E657 PolarHBondContact NH2-OE1 3.39Å; R463-E657 IonicContact NH2-OE2 3.21Å; L611-E657 HydrophobicContact CB-CG 4.45Å; L611-E657 HydrophobicContact CD2-CG 3.97Å; L611-E657 HydrophobicContact CG-CG 4.29Å; F612-E657 HydrophobicContact CB-CB 4.02Å; F612-E657 HydrophobicContact CB-CG 4.3Å; F612-E657 HydrophobicContact CD2-CB 3.91Å; F612-E657 HydrophobicContact CG-CB 4.4Å; L653-E657 PolarHBondContact O-N 2.82Å; L653-E657 VanDerWaalsContact O-N 3.08Å; L654-E657 HydrophobicContact CD1-CB 4.13Å; L654-E657 PolarHBondContact O-N 2.95Å; L654-E657 VanDerWaalsContact O-N 3.1Å; E657-L659 PolarHBondContact O-N 3.13Å; E657-N660 VanDerWaalsContact O-CB 3.29Å; E657-N660 WeakPolarHBondContact O-CB 3.45Å; E657-N660 PolarHBondContact O-N 3.04Å
658	V	91.1	Very high	90.1	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.006	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-17.3	176.9	-62.4	0	0	0	0	113	F612 L654 S655 H656 F666 I695 T711	F612-V658 HydrophobicContact CD2-CG1 4.47Å; F612-V658 HydrophobicContact CE2-CG1 4.04Å; L654-V658 WeakPolarHBondContact O-CG1 3.22Å; L654-V658 PolarHBondContact O-N 2.85Å; L654-V658 VanDerWaalsContact O-N 3.11Å; S655-V658 WeakPolarHBondContact O-CG2 3.34Å; H656-V658 VanDerWaalsContact C-N 3.29Å; H656-V658 PolarHBondContact O-N 3.04Å; V658-F666 VanDerWaalsContact O-CD2 3.25Å; V658-F666 WeakPolarHBondContact O-CD2 3.48Å; V658-F666 WeakPolarHBondContact O-CE2 3.36Å; V658-I695 HydrophobicContact CB-CD1 4.29Å; V658-I695 HydrophobicContact CB-CG1 4.35Å; V658-I695 HydrophobicContact CG1-CD1 4.33Å; V658-I695 HydrophobicContact CG1-CG1 3.87Å; V658-T711 HydrophobicContact CG2-CG2 4.24Å
659	L	88.4	Confident	88.9	Confident	24 Å²	24	19 Å²	19	13%	0.126	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	3.8	178.2	-55.2	-169.6	0	0	0	114.3	W459 H656 E657 P661 F666 L676 T711	W459-L659 PolarHBondContact NE1-O 3.1Å; H656-L659 WeakPolarHBondContact O-CB 3.33Å; H656-L659 PolarHBondContact O-N 3.38Å; E657-L659 PolarHBondContact O-N 3.13Å; L659-P661 WeakPolarHBondContact O-CD 3.24Å; L659-P661 VanDerWaalsContact O-N 3.16Å; L659-F666 HydrophobicContact CD2-CD2 3.93Å; L659-F666 HydrophobicContact CD2-CE2 4.33Å; L659-F666 HydrophobicContact CD2-CG 4.36Å; L659-L676 HydrophobicContact CD2-CD1 3.95Å; L659-L676 HydrophobicContact CD2-CD2 3.32Å; L659-L676 HydrophobicContact CD2-CG 4.27Å; L659-T711 HydrophobicContact CD1-CG2 4Å; L659-T711 HydrophobicContact CD2-CG2 3.69Å; L659-T711 HydrophobicContact CG-CG2 4.01Å
660	N	88.8	Confident	87.6	Confident	15 Å²	15	19.8 Å²	19.8	8%	0.08	11%	0.111	C	C	.	.			trans	-60.9	117.1	177.2	-178.9	-12.7	0	0	0	109.8	F456 W459 E657 M662 Y663	F456-N660 WeakPolarHBondContact CE2-OD1 3.39Å; W459-N660 HydrophobicContact CH2-CB 3.59Å; W459-N660 HydrophobicContact CZ2-CB 3.59Å; W459-N660 HydrophobicContact CZ3-CB 4.19Å; E657-N660 VanDerWaalsContact O-CB 3.29Å; E657-N660 WeakPolarHBondContact O-CB 3.45Å; E657-N660 PolarHBondContact O-N 3.04Å; N660-M662 PolarHBondContact O-N 2.77Å; N660-M662 WeakPolarHBondContact OD1-CB 3.34Å; N660-M662 PolarHBondContact OD1-N 3.04Å; N660-M662 VanDerWaalsContact OD1-N 3.09Å; N660-Y663 HydrophobicContact CB-CD2 3.7Å; N660-Y663 HydrophobicContact CB-CE2 3.66Å; N660-Y663 PolarHBondContact O-N 3.02Å; N660-Y663 VanDerWaalsContact O-N 3.16Å
661	P	87.1	Confident	85.8	Confident	31 Å²	31	29.3 Å²	29.3	20%	0.201	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-62.9	-19.7	-173.9	24.9	-34.6	0	0	0	113	F456 L659 Y663 C664	F456-P661 HydrophobicContact CB-CG 4.21Å; F456-P661 HydrophobicContact CD2-CG 4.12Å; L659-P661 WeakPolarHBondContact O-CD 3.24Å; L659-P661 VanDerWaalsContact O-N 3.16Å; P661-Y663 VanDerWaalsContact C-N 3.28Å; P661-Y663 PolarHBondContact O-N 3.1Å; P661-C664 WeakPolarHBondContact O-CA 3.41Å; P661-C664 PolarHBondContact O-N 2.9Å
662	M	87.6	Confident	83.8	Confident	8 Å²	8	30 Å²	30	4%	0.039	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-71.4	-19.1	-179.5	-65.6	-72.4	171.3	0	0	113.6	W423 T442 T444 F456 N660 C664	W423-M662 HydrophobicContact CH2-CE 3.93Å; W423-M662 HydrophobicContact CH2-SD 3.67Å; W423-M662 HydrophobicContact CZ2-CE 3.73Å; W423-M662 HydrophobicContact CZ2-SD 4.12Å; T442-M662 HydrophobicContact CG2-CB 3.98Å; T442-M662 HydrophobicContact CG2-CG 3.67Å; T442-M662 HydrophobicContact CG2-SD 4.31Å; T444-M662 WeakPolarHBondContact CB-O 3.34Å; T444-M662 HydrophobicContact CG2-SD 3.64Å; T444-M662 PolarHBondContact OG1-O 2.79Å; F456-M662 HydrophobicContact CB-CE 3.51Å; F456-M662 HydrophobicContact CD1-CE 4.01Å; F456-M662 HydrophobicContact CD2-CE 4.19Å; F456-M662 HydrophobicContact CD2-CG 3.64Å; F456-M662 HydrophobicContact CE2-CG 3.89Å; F456-M662 HydrophobicContact CG-CE 3.65Å; F456-M662 HydrophobicContact CG-CG 4.08Å; N660-M662 PolarHBondContact O-N 2.77Å; N660-M662 WeakPolarHBondContact OD1-CB 3.34Å; N660-M662 PolarHBondContact OD1-N 3.04Å; N660-M662 VanDerWaalsContact OD1-N 3.09Å; M662-C664 VanDerWaalsContact C-N 3.26Å
663	Y	90.9	Very high	82.4	Confident	49 Å²	49	32.7 Å²	32.7	19%	0.192	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-78.9	-9.9	169	-56.8	-45.7	0	0	0	113.2	F612 N660 P661 L665 N685	F612-Y663 HydrophobicContact CB-CE2 4.2Å; F612-Y663 WeakPolarHBondContact CB-OH 3.17Å; F612-Y663 HydrophobicContact CD1-CD2 4.16Å; F612-Y663 AromaticContact CD1-CE1 3.87Å; F612-Y663 HydrophobicContact CD1-CE1 3.87Å; F612-Y663 AromaticContact CD1-CE2 3.44Å; F612-Y663 HydrophobicContact CD1-CE2 3.44Å; F612-Y663 VanDerWaalsContact CD1-CE2 3.44Å; F612-Y663 AromaticContact CD1-CZ 3.29Å; F612-Y663 WeakPolarHBondContact CD1-OH 3.42Å; F612-Y663 HydrophobicContact CD2-CD2 4.45Å; F612-Y663 AromaticContact CD2-CE2 3.85Å; F612-Y663 HydrophobicContact CD2-CE2 3.85Å; F612-Y663 HydrophobicContact CE1-CD1 4.13Å; F612-Y663 AromaticContact CE1-CD2 3.79Å; F612-Y663 HydrophobicContact CE1-CD2 3.79Å; F612-Y663 AromaticContact CE1-CE1 3.93Å; F612-Y663 HydrophobicContact CE1-CE1 3.93Å; F612-Y663 AromaticContact CE1-CE2 3.57Å; F612-Y663 HydrophobicContact CE1-CE2 3.57Å; F612-Y663 HydrophobicContact CE1-CG 4.09Å; F612-Y663 AromaticContact CE1-CZ 3.66Å; F612-Y663 HydrophobicContact CE2-CD2 4.13Å; F612-Y663 AromaticContact CE2-CE2 3.99Å; F612-Y663 HydrophobicContact CE2-CE2 3.99Å; F612-Y663 HydrophobicContact CG-CD2 4.45Å; F612-Y663 AromaticContact CG-CE2 3.57Å; F612-Y663 HydrophobicContact CG-CE2 3.57Å; F612-Y663 AromaticContact CG-CZ 3.73Å; F612-Y663 AromaticContact CZ-CD2 3.78Å; F612-Y663 HydrophobicContact CZ-CD2 3.78Å; F612-Y663 AromaticContact CZ-CE2 3.86Å; F612-Y663 HydrophobicContact CZ-CE2 3.86Å; F612-Y663 HydrophobicContact CZ-CG 4.29Å; N660-Y663 HydrophobicContact CB-CD2 3.7Å; N660-Y663 HydrophobicContact CB-CE2 3.66Å; N660-Y663 PolarHBondContact O-N 3.02Å; N660-Y663 VanDerWaalsContact O-N 3.16Å; P661-Y663 VanDerWaalsContact C-N 3.28Å; P661-Y663 PolarHBondContact O-N 3.1Å; Y663-L665 PolarHBondContact O-N 2.88Å; Y663-L665 VanDerWaalsContact O-N 3.17Å; Y663-N685 PolarHBondContact O-ND2 2.94Å
664	C	91.5	Very high	80.8	Confident	1 Å²	1	34 Å²	34	1%	0.007	18%	0.175	C	C	.	.			trans	58.8	18.5	179.3	-52.3	0	0	0	0	115.3	Q446 P661 M662 S682 I684	Q446-C664 VanDerWaalsContact CB-SG 3.51Å; P661-C664 WeakPolarHBondContact O-CA 3.41Å; P661-C664 PolarHBondContact O-N 2.9Å; M662-C664 VanDerWaalsContact C-N 3.26Å; C664-S682 VanDerWaalsContact O-CA 3.25Å; C664-S682 WeakPolarHBondContact O-CA 3.4Å; C664-S682 WeakPolarHBondContact O-CB 3.3Å; C664-I684 HydrophobicContact CB-CG2 3.73Å
665	L	92.2	Very high	79.5	Confident	2 Å²	2	34.6 Å²	34.6	1%	0.01	18%	0.179	C	C	.	.	S	Bend	trans	-79.3	-41.5	-174.1	-55.9	177.6	0	0	0	112.9	F612 Y663 N679 H688 Y691 F692 I695	F612-L665 HydrophobicContact CZ-CD1 4.37Å; Y663-L665 PolarHBondContact O-N 2.88Å; Y663-L665 VanDerWaalsContact O-N 3.17Å; L665-N679 WeakPolarHBondContact O-CB 3.29Å; L665-N679 PolarHBondContact O-N 2.67Å; L665-H688 HydrophobicContact CD2-CB 3.87Å; L665-Y691 HydrophobicContact CD1-CG 4.37Å; L665-F692 HydrophobicContact CB-CE1 4.31Å; L665-F692 HydrophobicContact CB-CZ 3.89Å; L665-F692 HydrophobicContact CD2-CE2 3.96Å; L665-F692 HydrophobicContact CD2-CZ 4.17Å; L665-F692 WeakPolarHBondContact O-CZ 3.37Å; L665-I695 HydrophobicContact CD1-CD1 3.74Å
666	F	89.9	Confident	78.9	Confident	16 Å²	16	34.9 Å²	34.9	7%	0.07	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	161.3	-177.7	-58.3	-80.4	0	0	0	111.4	V658 L659 L676 Q677 I678 F692 I695 F713	V658-F666 VanDerWaalsContact O-CD2 3.25Å; V658-F666 WeakPolarHBondContact O-CD2 3.48Å; V658-F666 WeakPolarHBondContact O-CE2 3.36Å; L659-F666 HydrophobicContact CD2-CD2 3.93Å; L659-F666 HydrophobicContact CD2-CE2 4.33Å; L659-F666 HydrophobicContact CD2-CG 4.36Å; F666-L676 HydrophobicContact CB-CD1 3.76Å; F666-L676 HydrophobicContact CB-CD2 4.08Å; F666-L676 HydrophobicContact CB-CG 3.93Å; F666-L676 HydrophobicContact CD1-CD2 3.73Å; F666-L676 HydrophobicContact CD1-CG 4.16Å; F666-L676 HydrophobicContact CD2-CD2 4.42Å; F666-L676 HydrophobicContact CE1-CD2 4.25Å; F666-L676 HydrophobicContact CG-CD1 4.43Å; F666-L676 HydrophobicContact CG-CD2 3.83Å; F666-L676 HydrophobicContact CG-CG 4.2Å; F666-Q677 WeakPolarHBondContact CA-O 3.29Å; F666-I678 HydrophobicContact CD1-CG1 4.41Å; F666-I678 HydrophobicContact CE1-CG1 4.17Å; F666-F692 HydrophobicContact CE1-CE1 4.13Å; F666-F692 HydrophobicContact CZ-CE1 4.07Å; F666-I695 HydrophobicContact CE2-CD1 3.9Å; F666-I695 HydrophobicContact CZ-CD1 4.17Å; F666-F713 AromaticContact CE1-CE1 3.92Å; F666-F713 HydrophobicContact CE1-CE1 3.92Å; F666-F713 AromaticContact CZ-CE1 3.94Å; F666-F713 HydrophobicContact CZ-CE1 3.94Å
667	E	84.2	Confident	78.7	Confident	63 Å²	63	34.7 Å²	34.7	29%	0.294	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	158.8	172.1	63	-174.4	-159.5	0	0	110	Q677 N679 P680	E667-Q677 HydrophobicContact CG-CG 3.7Å; E667-Q677 PolarHBondContact N-O 3.39Å; E667-Q677 PolarHBondContact O-N 2.8Å; E667-Q677 PolarHBondContact OE1-NE2 3.39Å; E667-N679 HydrophobicContact CB-CB 4.23Å; E667-N679 HydrophobicContact CG-CB 4.11Å; E667-N679 PolarHBondContact OE2-OD1 2.95Å; E667-P680 WeakPolarHBondContact OE1-CD 3.49Å
668	Y	78.4	Confident	78.7	Confident	56 Å²	56	34.5 Å²	34.5	22%	0.22	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	132.2	173.2	-67.3	-64.6	0	0	0	110.2	G670 N673 C675 L676	Y668-G670 PolarHBondContact O-N 2.96Å; Y668-G670 VanDerWaalsContact O-N 3.15Å; Y668-N673 HydrophobicContact CD1-CB 4.29Å; Y668-N673 HydrophobicContact CD2-CB 4.32Å; Y668-N673 HydrophobicContact CE1-CB 3.88Å; Y668-N673 WeakPolarHBondContact CE1-O 3.29Å; Y668-N673 HydrophobicContact CE2-CB 3.93Å; Y668-N673 HydrophobicContact CG-CB 4.49Å; Y668-C675 CarbonylContact C-O 3.59Å; Y668-C675 WeakPolarHBondContact CA-O 3.37Å; Y668-L676 HydrophobicContact CD1-CD1 4.04Å; Y668-L676 HydrophobicContact CE1-CD1 3.84Å
669	A	66.7	Low	78.6	Confident	12 Å²	12	35.2 Å²	35.2	10%	0.099	18%	0.183	C	C	.	.	S	Bend	trans	-80.6	95.5	177.1	0	0	0	0	0	109.4	C675 Q677 I734	A669-C675 HydrophobicContact CB-CB 4.15Å; A669-C675 PolarHBondContact N-O 3.43Å; A669-Q677 HydrophobicContact CB-CG 4.33Å; A669-I734 HydrophobicContact CB-CG2 3.68Å; A669-I734 VanDerWaalsContact CB-O 3.24Å; A669-I734 WeakPolarHBondContact CB-O 3.41Å
670	G	63.2	Low	78.6	Confident	59 Å²	59	35 Å²	35	61%	0.608	18%	0.183	S	C	*	.	S	Bend	trans	102	-163.7	-177.2	0	0	0	0	0	113.9	Y668 S672	Y668-G670 PolarHBondContact O-N 2.96Å; Y668-G670 VanDerWaalsContact O-N 3.15Å; G670-S672 VanDerWaalsContact C-N 3.34Å; G670-S672 PolarHBondContact O-N 3.42Å
671	K	55.9	Low	78.6	Confident	201 Å²	201	35.1 Å²	35.1	87%	0.874	19%	0.186	S	C	*	.	S	Bend	trans	-90.5	12.7	-170.8	-64.9	174.7	-177.6	162.6	0	114.4
672	S	54.4	Low	78.9	Confident	13 Å²	13	33.7 Å²	33.7	9%	0.091	18%	0.177	C	C	.	.	S	Bend	trans	-136.5	146.3	-176.4	55.2	0	0	0	0	111.1	G670 Y674 G901 S902	G670-S672 VanDerWaalsContact C-N 3.34Å; G670-S672 PolarHBondContact O-N 3.42Å; S672-Y674 PolarHBondContact O-N 2.72Å; S672-G901 PolarHBondContact OG-O 3.12Å; S672-S902 PolarHBondContact OG-O 3.06Å
673	N	61.1	Low	79	Confident	59 Å²	59	36.3 Å²	36.3	32%	0.316	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	28.8	-175.8	-60.4	22.8	0	0	0	113.3	Q462 Y668	Q462-N673 PolarHBondContact NE2-ND2 2.99Å; Q462-N673 VanDerWaalsContact NE2-ND2 3.12Å; Q462-N673 PolarHBondContact OE1-ND2 3.02Å; Y668-N673 HydrophobicContact CD1-CB 4.29Å; Y668-N673 HydrophobicContact CD2-CB 4.32Å; Y668-N673 HydrophobicContact CE1-CB 3.88Å; Y668-N673 WeakPolarHBondContact CE1-O 3.29Å; Y668-N673 HydrophobicContact CE2-CB 3.93Å; Y668-N673 HydrophobicContact CG-CB 4.49Å
674	Y	58.6	Low	78.9	Confident	57 Å²	57	36.1 Å²	36.1	22%	0.224	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-47	-164.8	-167.2	-106.7	0	0	0	113.7	S672 T886 T888 M900	S672-Y674 PolarHBondContact O-N 2.72Å; Y674-T886 PolarHBondContact OH-O 3.36Å; Y674-T886 VanDerWaalsContact OH-O 3.05Å; Y674-T888 WeakPolarHBondContact OH-CG2 3.39Å; Y674-M900 HydrophobicContact CD2-CB 3.82Å; Y674-M900 HydrophobicContact CE2-CB 4.25Å; Y674-M900 VanDerWaalsContact CE2-O 3.29Å; Y674-M900 WeakPolarHBondContact CE2-O 3.4Å
675	C	68.6	Low	78.8	Confident	13 Å²	13	36.2 Å²	36.2	9%	0.088	20%	0.202	C	C	.	.			trans	-109.2	118.8	-178.8	-174.7	0	0	0	0	109.7	Y668 A669 S714 S733	Y668-C675 CarbonylContact C-O 3.59Å; Y668-C675 WeakPolarHBondContact CA-O 3.37Å; A669-C675 HydrophobicContact CB-CB 4.15Å; A669-C675 PolarHBondContact N-O 3.43Å; C675-S714 VanDerWaalsContact SG-CB 3.55Å; C675-S733 PolarHBondContact SG-O 3.17Å
676	L	79.6	Confident	78.8	Confident	7 Å²	7	38.8 Å²	38.8	4%	0.037	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	134.2	177.9	-164.9	84.9	0	0	0	110.7	L659 F666 Y668 T711 G712 F713 S714	L659-L676 HydrophobicContact CD2-CD1 3.95Å; L659-L676 HydrophobicContact CD2-CD2 3.32Å; L659-L676 HydrophobicContact CD2-CG 4.27Å; F666-L676 HydrophobicContact CB-CD1 3.76Å; F666-L676 HydrophobicContact CB-CD2 4.08Å; F666-L676 HydrophobicContact CB-CG 3.93Å; F666-L676 HydrophobicContact CD1-CD2 3.73Å; F666-L676 HydrophobicContact CD1-CG 4.16Å; F666-L676 HydrophobicContact CD2-CD2 4.42Å; F666-L676 HydrophobicContact CE1-CD2 4.25Å; F666-L676 HydrophobicContact CG-CD1 4.43Å; F666-L676 HydrophobicContact CG-CD2 3.83Å; F666-L676 HydrophobicContact CG-CG 4.2Å; Y668-L676 HydrophobicContact CD1-CD1 4.04Å; Y668-L676 HydrophobicContact CE1-CD1 3.84Å; L676-T711 HydrophobicContact CD2-CG2 4.49Å; L676-G712 VanDerWaalsContact CB-O 3.29Å; L676-G712 WeakPolarHBondContact CB-O 3.36Å; L676-F713 HydrophobicContact CD2-CD1 3.96Å; L676-F713 HydrophobicContact CD2-CE1 4.08Å; L676-S714 PolarHBondContact O-OG 2.67Å; L676-S714 VanDerWaalsContact O-OG 3.13Å
677	Q	84.2	Confident	78.9	Confident	25 Å²	25	40.8 Å²	40.8	12%	0.117	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	159.2	168.2	69.5	179.3	10.3	0	0	111.3	F666 E667 A669 N679 R799	F666-Q677 WeakPolarHBondContact CA-O 3.29Å; E667-Q677 HydrophobicContact CG-CG 3.7Å; E667-Q677 PolarHBondContact N-O 3.39Å; E667-Q677 PolarHBondContact O-N 2.8Å; E667-Q677 PolarHBondContact OE1-NE2 3.39Å; A669-Q677 HydrophobicContact CB-CG 4.33Å; Q677-N679 PolarHBondContact O-N 2.85Å; Q677-R799 VanDerWaalsContact OE1-NH1 3.16Å; Q677-R799 VanDerWaalsContact OE1-NH2 3.16Å
678	I	89.9	Confident	79.5	Confident	13 Å²	13	38.8 Å²	38.8	7%	0.067	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	133.4	168.2	-63.4	177.1	0	0	0	107.9	F666 P680 F692 F717 V804 Q807	F666-I678 HydrophobicContact CD1-CG1 4.41Å; F666-I678 HydrophobicContact CE1-CG1 4.17Å; I678-P680 WeakPolarHBondContact O-CD 3.31Å; I678-F692 HydrophobicContact CD1-CE1 4.46Å; I678-F692 HydrophobicContact CG1-CE1 4.23Å; I678-F692 HydrophobicContact CG2-CE1 4.1Å; I678-F692 HydrophobicContact CG2-CZ 3.75Å; I678-F717 HydrophobicContact CD1-CE2 4.11Å; I678-F717 HydrophobicContact CG1-CE2 4.12Å; I678-V804 HydrophobicContact CB-CB 4.11Å; I678-V804 HydrophobicContact CB-CG1 3.88Å; I678-V804 HydrophobicContact CG2-CB 3.89Å; I678-V804 HydrophobicContact CG2-CG1 3.66Å; I678-Q807 HydrophobicContact CD1-CB 4.28Å; I678-Q807 HydrophobicContact CG2-CB 3.74Å; I678-Q807 HydrophobicContact CG2-CG 3.98Å
679	N	89.4	Confident	80.4	Confident	15 Å²	15	39.7 Å²	39.7	8%	0.08	23%	0.229	C	C	.	.			trans	-75.4	119.4	176.3	-178.3	-26.4	0	0	0	110	L665 E667 Q677 A681 S682	L665-N679 WeakPolarHBondContact O-CB 3.29Å; L665-N679 PolarHBondContact O-N 2.67Å; E667-N679 HydrophobicContact CB-CB 4.23Å; E667-N679 HydrophobicContact CG-CB 4.11Å; E667-N679 PolarHBondContact OE2-OD1 2.95Å; Q677-N679 PolarHBondContact O-N 2.85Å; N679-A681 VanDerWaalsContact C-N 3.25Å; N679-A681 PolarHBondContact O-N 3.22Å; N679-A681 VanDerWaalsContact OD1-CA 3.29Å; N679-A681 WeakPolarHBondContact OD1-CA 3.47Å; N679-A681 VanDerWaalsContact OD1-CB 3.26Å; N679-A681 WeakPolarHBondContact OD1-CB 3.41Å; N679-A681 PolarHBondContact OD1-N 3.08Å; N679-S682 WeakPolarHBondContact O-CB 3.41Å; N679-S682 PolarHBondContact O-N 3.3Å; N679-S682 PolarHBondContact O-OG 3.5Å; N679-S682 PolarHBondContact OD1-N 2.64Å
680	P	88.6	Confident	81.9	Confident	21 Å²	21	41.6 Å²	41.6	14%	0.136	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-63.6	-30.2	177.8	-20.3	32.5	0	0	0	113.1	E667 I678 S682 M763 V804	E667-P680 WeakPolarHBondContact OE1-CD 3.49Å; I678-P680 WeakPolarHBondContact O-CD 3.31Å; P680-S682 PolarHBondContact O-N 3.34Å; P680-M763 HydrophobicContact CB-CE 3.99Å; P680-M763 HydrophobicContact CG-CE 4.33Å; P680-V804 HydrophobicContact CB-CG1 4.18Å; P680-V804 HydrophobicContact CG-CG1 3.93Å
681	A	88.1	Confident	83.5	Confident	17 Å²	17	40.1 Å²	40.1	14%	0.14	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-79.2	3.1	175	0	0	0	0	0	113.8	N679 A683 I684 I765 L766	N679-A681 VanDerWaalsContact C-N 3.25Å; N679-A681 PolarHBondContact O-N 3.22Å; N679-A681 VanDerWaalsContact OD1-CA 3.29Å; N679-A681 WeakPolarHBondContact OD1-CA 3.47Å; N679-A681 VanDerWaalsContact OD1-CB 3.26Å; N679-A681 WeakPolarHBondContact OD1-CB 3.41Å; N679-A681 PolarHBondContact OD1-N 3.08Å; A681-A683 PolarHBondContact O-N 2.86Å; A681-I684 WeakPolarHBondContact O-CB 2.84Å; A681-I684 VanDerWaalsContact O-CG2 3.26Å; A681-I684 WeakPolarHBondContact O-CG2 3.49Å; A681-I684 PolarHBondContact O-N 3.25Å; A681-I765 HydrophobicContact CB-CG2 4.01Å; A681-L766 HydrophobicContact CB-CD1 4.28Å; A681-L766 HydrophobicContact CB-CD2 3.94Å; A681-L766 HydrophobicContact CB-CG 3.88Å
682	S	93.4	Very high	85.5	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-55.3	-21.2	179.9	52.8	0	0	0	0	114.6	C664 N679 P680 I684 N685 H688 Q807	C664-S682 VanDerWaalsContact O-CA 3.25Å; C664-S682 WeakPolarHBondContact O-CA 3.4Å; C664-S682 WeakPolarHBondContact O-CB 3.3Å; N679-S682 WeakPolarHBondContact O-CB 3.41Å; N679-S682 PolarHBondContact O-N 3.3Å; N679-S682 PolarHBondContact O-OG 3.5Å; N679-S682 PolarHBondContact OD1-N 2.64Å; P680-S682 PolarHBondContact O-N 3.34Å; S682-I684 PolarHBondContact O-N 3.28Å; S682-N685 WeakPolarHBondContact O-CB 3.26Å; S682-N685 PolarHBondContact O-N 2.92Å; S682-H688 WeakPolarHBondContact O-CB 3.44Å; S682-H688 PolarHBondContact OG-ND1 3.46Å; S682-Q807 WeakPolarHBondContact OG-CG 3.4Å; S682-Q807 PolarHBondContact OG-NE2 3.47Å
683	A	90.3	Very high	87.5	Confident	64 Å²	64	30.9 Å²	30.9	53%	0.529	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-60	-10.2	170.7	0	0	0	0	0	114.5	A681 N685 H688	A681-A683 PolarHBondContact O-N 2.86Å; A683-N685 PolarHBondContact O-N 2.9Å; A683-H688 PolarHBondContact N-ND1 3.17Å
684	I	87.9	Confident	89.3	Confident	45 Å²	45	28.1 Å²	28.1	23%	0.231	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-62.6	-31	166.5	-162.5	157.7	0	0	0	112.1	W445 Q446 C664 A681 S682 P686 L766	W445-I684 VanDerWaalsContact CB-O 3.24Å; W445-I684 WeakPolarHBondContact CB-O 3.04Å; Q446-I684 HydrophobicContact CB-CD1 3.92Å; Q446-I684 HydrophobicContact CB-CG2 4.35Å; Q446-I684 HydrophobicContact CG-CD1 4.04Å; C664-I684 HydrophobicContact CB-CG2 3.73Å; A681-I684 WeakPolarHBondContact O-CB 2.84Å; A681-I684 VanDerWaalsContact O-CG2 3.26Å; A681-I684 WeakPolarHBondContact O-CG2 3.49Å; A681-I684 PolarHBondContact O-N 3.25Å; S682-I684 PolarHBondContact O-N 3.28Å; I684-P686 WeakPolarHBondContact O-CD 3.09Å; I684-L766 HydrophobicContact CB-CD1 4.19Å; I684-L766 HydrophobicContact CD1-CD1 4.05Å; I684-L766 HydrophobicContact CD1-CD2 3.82Å; I684-L766 HydrophobicContact CG1-CD1 4.48Å
685	N	91.2	Very high	91.1	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.011	15%	0.153	C	C	.	.	S	Bend	trans	-84.3	107.5	166.7	176.1	-7.4	0	0	0	107.5	W445 Y663 S682 A683 D687 H688	W445-N685 HydrophobicContact CG-CB 4.36Å; Y663-N685 PolarHBondContact O-ND2 2.94Å; S682-N685 WeakPolarHBondContact O-CB 3.26Å; S682-N685 PolarHBondContact O-N 2.92Å; A683-N685 PolarHBondContact O-N 2.9Å; N685-D687 PolarHBondContact O-N 2.73Å; N685-D687 VanDerWaalsContact O-N 3.07Å; N685-D687 PolarHBondContact OD1-N 2.71Å; N685-H688 HydrophobicContact CB-CB 4.14Å; N685-H688 VanDerWaalsContact O-CB 3.23Å; N685-H688 WeakPolarHBondContact O-CB 3.28Å; N685-H688 PolarHBondContact O-CD2 3.44Å; N685-H688 PolarHBondContact O-N 3.09Å
686	P	90.5	Very high	92.5	Very high	57 Å²	57	24.8 Å²	24.8	37%	0.37	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-19	-172.8	26.4	-35	0	0	0	113.5	W445 I684	W445-P686 VanDerWaalsContact CD2-CD 3.45Å; W445-P686 HydrophobicContact CD2-CG 4.04Å; W445-P686 HydrophobicContact CE3-CG 4.19Å; W445-P686 HydrophobicContact CH2-CG 4.09Å; W445-P686 HydrophobicContact CZ2-CG 3.87Å; W445-P686 HydrophobicContact CZ3-CG 4.23Å; I684-P686 WeakPolarHBondContact O-CD 3.09Å
687	D	93.4	Very high	93.3	Very high	57 Å²	57	25.4 Å²	25.4	31%	0.305	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	11.9	-178.2	-62.2	-75.2	0	0	0	111.3	R432 N685 L689 S690 Y691	R432-D687 IonicContact CZ-OD2 3.74Å; R432-D687 IonicContact NH1-OD2 2.83Å; R432-D687 PolarHBondContact NH1-OD2 2.86Å; R432-D687 IonicContact NH2-OD2 3.78Å; N685-D687 PolarHBondContact O-N 2.73Å; N685-D687 VanDerWaalsContact O-N 3.07Å; N685-D687 PolarHBondContact OD1-N 2.71Å; D687-L689 PolarHBondContact O-N 3.35Å; D687-S690 VanDerWaalsContact O-CB 3.31Å; D687-S690 WeakPolarHBondContact O-CB 3.27Å; D687-S690 PolarHBondContact O-N 2.71Å; D687-Y691 HydrophobicContact CB-CE2 4.23Å; D687-Y691 WeakPolarHBondContact O-CD2 3.44Å; D687-Y691 PolarHBondContact O-N 3.46Å
688	H	95.4	Very high	94	Very high	21 Å²	21	24.2 Å²	24.2	10%	0.097	15%	0.145	C	C	.	.	H	α-helix	trans	-55.3	-40.4	-175.6	74.5	134.4	0	0	0	114.6	L665 S682 A683 N685 S690 Y691 F692	L665-H688 HydrophobicContact CD2-CB 3.87Å; S682-H688 WeakPolarHBondContact O-CB 3.44Å; S682-H688 PolarHBondContact OG-ND1 3.46Å; A683-H688 PolarHBondContact N-ND1 3.17Å; N685-H688 HydrophobicContact CB-CB 4.14Å; N685-H688 VanDerWaalsContact O-CB 3.23Å; N685-H688 WeakPolarHBondContact O-CB 3.28Å; N685-H688 PolarHBondContact O-CD2 3.44Å; N685-H688 PolarHBondContact O-N 3.09Å; H688-S690 VanDerWaalsContact C-N 3.29Å; H688-S690 PolarHBondContact O-N 2.76Å; H688-Y691 CarbonylContact O-C 3.56Å; H688-Y691 WeakPolarHBondContact O-CB 3.2Å; H688-Y691 PolarHBondContact O-N 2.87Å; H688-Y691 VanDerWaalsContact O-N 3.12Å; H688-F692 HydrophobicContact CB-CD2 4.43Å; H688-F692 HydrophobicContact CB-CE2 4.21Å; H688-F692 AromaticContact ND1-CE2 3.97Å; H688-F692 WeakPolarHBondContact O-CD2 3.47Å; H688-F692 PolarHBondContact O-N 3.1Å
689	L	97.5	Very high	94.3	Very high	76 Å²	76	23.6 Å²	23.6	40%	0.398	14%	0.142	S	C	.	.	H	α-helix	trans	-64	-35.2	178.4	-58.7	-174.8	0	0	0	112.1	D687 F692 C693 Q807 A810	D687-L689 PolarHBondContact O-N 3.35Å; L689-F692 PolarHBondContact O-N 3.11Å; L689-C693 WeakPolarHBondContact O-CB 3.41Å; L689-C693 PolarHBondContact O-N 3.23Å; L689-Q807 HydrophobicContact CD2-CG 4.29Å; L689-A810 HydrophobicContact CB-CB 4.15Å; L689-A810 HydrophobicContact CD2-CB 4.29Å; L689-A810 WeakPolarHBondContact O-CB 3.37Å
690	S	97.7	Very high	94.6	Very high	52 Å²	52	22.9 Å²	22.9	36%	0.364	14%	0.138	S	C	.	.	H	α-helix	trans	-65.3	-41	173.5	-55	0	0	0	0	111	D687 H688 C693 F694	D687-S690 VanDerWaalsContact O-CB 3.31Å; D687-S690 WeakPolarHBondContact O-CB 3.27Å; D687-S690 PolarHBondContact O-N 2.71Å; H688-S690 VanDerWaalsContact C-N 3.29Å; H688-S690 PolarHBondContact O-N 2.76Å; S690-C693 PolarHBondContact O-N 2.74Å; S690-F694 WeakPolarHBondContact O-CB 3.42Å; S690-F694 PolarHBondContact O-N 2.85Å
691	Y	97.6	Very high	95	Very high	28 Å²	28	21.9 Å²	21.9	11%	0.11	13%	0.132	C	C	.	.	H	α-helix	trans	-66	-38.9	173.6	-70.4	-61.9	0	0	0	112.5	F612 E613 F616 L665 D687 H688 F694 I695	F612-Y691 HydrophobicContact CD1-CE1 4.33Å; F612-Y691 AromaticContact CE1-CD1 3.59Å; F612-Y691 HydrophobicContact CE1-CD1 3.59Å; F612-Y691 AromaticContact CE1-CE1 3.37Å; F612-Y691 HydrophobicContact CE1-CE1 3.37Å; F612-Y691 AromaticContact CZ-CD1 3.64Å; F612-Y691 HydrophobicContact CZ-CD1 3.64Å; F612-Y691 AromaticContact CZ-CE1 3.95Å; F612-Y691 HydrophobicContact CZ-CE1 3.95Å; F612-Y691 HydrophobicContact CZ-CG 4.39Å; E613-Y691 PolarHBondContact OE2-OH 3.04Å; F616-Y691 HydrophobicContact CB-CE1 4.35Å; F616-Y691 HydrophobicContact CD1-CD1 4.42Å; F616-Y691 AromaticContact CD1-CE1 3.69Å; F616-Y691 HydrophobicContact CD1-CE1 3.69Å; F616-Y691 AromaticContact CD2-CD1 3.56Å; F616-Y691 HydrophobicContact CD2-CD1 3.56Å; F616-Y691 AromaticContact CD2-CE1 3.68Å; F616-Y691 HydrophobicContact CD2-CE1 3.68Å; F616-Y691 HydrophobicContact CE1-CD1 4.45Å; F616-Y691 AromaticContact CE1-CE1 3.8Å; F616-Y691 HydrophobicContact CE1-CE1 3.8Å; F616-Y691 AromaticContact CE2-CD1 3.6Å; F616-Y691 HydrophobicContact CE2-CD1 3.6Å; F616-Y691 AromaticContact CE2-CE1 3.79Å; F616-Y691 HydrophobicContact CE2-CE1 3.79Å; F616-Y691 HydrophobicContact CE2-CG 4.3Å; F616-Y691 HydrophobicContact CG-CD1 4.01Å; F616-Y691 AromaticContact CG-CE1 3.63Å; F616-Y691 HydrophobicContact CG-CE1 3.63Å; F616-Y691 HydrophobicContact CZ-CD1 4.06Å; F616-Y691 AromaticContact CZ-CE1 3.86Å; F616-Y691 HydrophobicContact CZ-CE1 3.86Å; L665-Y691 HydrophobicContact CD1-CG 4.37Å; D687-Y691 HydrophobicContact CB-CE2 4.23Å; D687-Y691 WeakPolarHBondContact O-CD2 3.44Å; D687-Y691 PolarHBondContact O-N 3.46Å; H688-Y691 CarbonylContact O-C 3.56Å; H688-Y691 WeakPolarHBondContact O-CB 3.2Å; H688-Y691 PolarHBondContact O-N 2.87Å; H688-Y691 VanDerWaalsContact O-N 3.12Å; Y691-F694 WeakPolarHBondContact O-CB 3.46Å; Y691-F694 PolarHBondContact O-N 2.83Å; Y691-I695 WeakPolarHBondContact O-CD1 3.13Å; Y691-I695 WeakPolarHBondContact O-CG1 3.48Å; Y691-I695 PolarHBondContact O-N 3.31Å
692	F	97.3	Very high	95.4	Very high	1 Å²	1	21 Å²	21	0%	0.004	13%	0.125	C	C	.	.	H	α-helix	trans	-65	-40.5	173.8	-76.3	-66.3	0	0	0	112.6	L665 F666 I678 H688 L689 I695 G696 Q807 A810 F811	L665-F692 HydrophobicContact CB-CE1 4.31Å; L665-F692 HydrophobicContact CB-CZ 3.89Å; L665-F692 HydrophobicContact CD2-CE2 3.96Å; L665-F692 HydrophobicContact CD2-CZ 4.17Å; L665-F692 WeakPolarHBondContact O-CZ 3.37Å; F666-F692 HydrophobicContact CE1-CE1 4.13Å; F666-F692 HydrophobicContact CZ-CE1 4.07Å; I678-F692 HydrophobicContact CD1-CE1 4.46Å; I678-F692 HydrophobicContact CG1-CE1 4.23Å; I678-F692 HydrophobicContact CG2-CE1 4.1Å; I678-F692 HydrophobicContact CG2-CZ 3.75Å; H688-F692 HydrophobicContact CB-CD2 4.43Å; H688-F692 HydrophobicContact CB-CE2 4.21Å; H688-F692 AromaticContact ND1-CE2 3.97Å; H688-F692 WeakPolarHBondContact O-CD2 3.47Å; H688-F692 PolarHBondContact O-N 3.1Å; L689-F692 PolarHBondContact O-N 3.11Å; F692-I695 PolarHBondContact O-N 3.47Å; F692-G696 PolarHBondContact O-N 2.69Å; F692-Q807 HydrophobicContact CD1-CB 4.4Å; F692-Q807 HydrophobicContact CD2-CB 3.61Å; F692-Q807 HydrophobicContact CD2-CG 3.67Å; F692-Q807 HydrophobicContact CE1-CB 4.36Å; F692-Q807 HydrophobicContact CE2-CB 3.59Å; F692-Q807 HydrophobicContact CE2-CG 3.33Å; F692-Q807 HydrophobicContact CG-CB 4.05Å; F692-Q807 HydrophobicContact CZ-CB 3.98Å; F692-Q807 HydrophobicContact CZ-CG 4Å; F692-A810 HydrophobicContact CB-CB 4.04Å; F692-F811 HydrophobicContact CB-CB 4.36Å; F692-F811 WeakPolarHBondContact O-CA 3.28Å
693	C	98.2	Very high	95.3	Very high	19 Å²	19	21 Å²	21	13%	0.128	13%	0.125	C	C	.	.	H	α-helix	trans	-62.1	-44.1	173.2	-179.6	0	0	0	0	112.1	M620 L689 S690 I695 G696 R697 A810	M620-C693 HydrophobicContact CE-CB 4.16Å; L689-C693 WeakPolarHBondContact O-CB 3.41Å; L689-C693 PolarHBondContact O-N 3.23Å; S690-C693 PolarHBondContact O-N 2.74Å; C693-I695 PolarHBondContact O-N 2.82Å; C693-G696 PolarHBondContact O-N 3.42Å; C693-R697 PolarHBondContact O-N 2.72Å; C693-A810 VanDerWaalsContact CA-O 3.27Å; C693-A810 WeakPolarHBondContact CA-O 3.46Å
694	F	98.3	Very high	95.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-57.3	-46.3	171.6	161	-111.7	0	0	0	112.7	F612 F616 I619 M620 L654 S690 Y691 G696 R697 F698	F612-F694 HydrophobicContact CD2-CE1 4.25Å; F612-F694 HydrophobicContact CE2-CD1 4.49Å; F612-F694 AromaticContact CE2-CE1 3.87Å; F612-F694 HydrophobicContact CE2-CE1 3.87Å; F612-F694 HydrophobicContact CZ-CE1 4.31Å; F616-F694 VanDerWaalsContact CA-CE2 3.49Å; F616-F694 HydrophobicContact CB-CD1 4.4Å; F616-F694 HydrophobicContact CB-CD2 4.44Å; F616-F694 HydrophobicContact CB-CE1 4.28Å; F616-F694 HydrophobicContact CB-CE2 4.32Å; F616-F694 HydrophobicContact CB-CG 4.46Å; F616-F694 HydrophobicContact CB-CZ 4.24Å; F616-F694 HydrophobicContact CD2-CB 3.65Å; F616-F694 AromaticContact CD2-CD1 3.92Å; F616-F694 HydrophobicContact CD2-CD1 3.92Å; F616-F694 HydrophobicContact CD2-CD2 4.17Å; F616-F694 AromaticContact CD2-CG 3.66Å; F616-F694 HydrophobicContact CD2-CG 3.66Å; F616-F694 HydrophobicContact CE2-CB 3.99Å; F616-F694 HydrophobicContact CE2-CG 4.48Å; I619-F694 HydrophobicContact CB-CD2 3.95Å; I619-F694 HydrophobicContact CB-CE2 3.96Å; I619-F694 HydrophobicContact CD1-CE2 3.89Å; I619-F694 HydrophobicContact CG1-CE2 4.44Å; I619-F694 HydrophobicContact CG2-CD2 3.86Å; I619-F694 HydrophobicContact CG2-CE2 4.23Å; M620-F694 HydrophobicContact CG-CB 4.02Å; M620-F694 HydrophobicContact SD-CB 3.74Å; L654-F694 HydrophobicContact CD1-CZ 4.2Å; L654-F694 HydrophobicContact CD2-CZ 4.05Å; S690-F694 WeakPolarHBondContact O-CB 3.42Å; S690-F694 PolarHBondContact O-N 2.85Å; Y691-F694 WeakPolarHBondContact O-CB 3.46Å; Y691-F694 PolarHBondContact O-N 2.83Å; F694-G696 VanDerWaalsContact C-N 3.34Å; F694-R697 PolarHBondContact O-N 2.72Å; F694-F698 WeakPolarHBondContact O-CB 3.45Å; F694-F698 PolarHBondContact O-N 3.31Å
695	I	96.8	Very high	95.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-64.1	-42.1	177.6	-64.5	161.2	0	0	0	109.7	V658 L665 F666 Y691 F692 C693 R697 F698 I699 F811	V658-I695 HydrophobicContact CB-CD1 4.29Å; V658-I695 HydrophobicContact CB-CG1 4.35Å; V658-I695 HydrophobicContact CG1-CD1 4.33Å; V658-I695 HydrophobicContact CG1-CG1 3.87Å; L665-I695 HydrophobicContact CD1-CD1 3.74Å; F666-I695 HydrophobicContact CE2-CD1 3.9Å; F666-I695 HydrophobicContact CZ-CD1 4.17Å; Y691-I695 WeakPolarHBondContact O-CD1 3.13Å; Y691-I695 WeakPolarHBondContact O-CG1 3.48Å; Y691-I695 PolarHBondContact O-N 3.31Å; F692-I695 PolarHBondContact O-N 3.47Å; C693-I695 PolarHBondContact O-N 2.82Å; I695-R697 PolarHBondContact O-N 2.87Å; I695-F698 WeakPolarHBondContact O-CB 3.07Å; I695-F698 PolarHBondContact O-N 2.93Å; I695-F698 VanDerWaalsContact O-N 3.14Å; I695-I699 HydrophobicContact CG2-CG1 4.06Å; I695-I699 VanDerWaalsContact O-CG1 3.26Å; I695-I699 WeakPolarHBondContact O-CG1 3.4Å; I695-I699 PolarHBondContact O-N 2.99Å; I695-F811 HydrophobicContact CB-CD2 4.45Å; I695-F811 HydrophobicContact CG2-CD2 4.1Å; I695-F811 HydrophobicContact CG2-CE2 3.95Å
696	G	96.3	Very high	95.4	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-53	-51.6	172.3	0	0	0	0	0	112.4	F692 C693 F694 F698 I699 A700 F811 F815	F692-G696 PolarHBondContact O-N 2.69Å; C693-G696 PolarHBondContact O-N 3.42Å; F694-G696 VanDerWaalsContact C-N 3.34Å; G696-F698 PolarHBondContact O-N 2.97Å; G696-I699 PolarHBondContact O-N 3.43Å; G696-A700 WeakPolarHBondContact O-CB 3.38Å; G696-A700 PolarHBondContact O-N 3.05Å; G696-F811 WeakPolarHBondContact CA-O 3.36Å; G696-F815 WeakPolarHBondContact O-CA 3.11Å
697	R	98.3	Very high	95.4	Very high	20 Å²	20	18.7 Å²	18.7	8%	0.075	10%	0.102	C	C	.	.	H	α-helix	trans	-57.9	-44.9	174.6	-70.9	-177.8	176.6	-176.1	8.8	112	I619 L622 L627 C693 F694 I695 A700 M701 G814 E817 V818	I619-R697 HydrophobicContact CG2-CB 3.94Å; I619-R697 PolarHBondContact O-NH1 2.86Å; L622-R697 PolarHBondContact O-NH1 3.4Å; L622-R697 VanDerWaalsContact O-NH1 3.13Å; L627-R697 HydrophobicContact CD1-CB 4.27Å; L627-R697 HydrophobicContact CD1-CG 4.39Å; C693-R697 PolarHBondContact O-N 2.72Å; F694-R697 PolarHBondContact O-N 2.72Å; I695-R697 PolarHBondContact O-N 2.87Å; R697-A700 PolarHBondContact O-N 3.09Å; R697-M701 WeakPolarHBondContact O-CB 3.46Å; R697-M701 WeakPolarHBondContact O-CG 3.41Å; R697-M701 PolarHBondContact O-N 3Å; R697-G814 WeakPolarHBondContact CA-O 3.3Å; R697-G814 WeakPolarHBondContact CG-O 3.46Å; R697-G814 PolarHBondContact N-O 3.09Å; R697-E817 IonicContact CZ-OE2 3.65Å; R697-E817 IonicContact NE-OE2 3.38Å; R697-E817 PolarHBondContact NE-OE2 3.27Å; R697-E817 IonicContact NH2-OE1 3.3Å; R697-E817 IonicContact NH2-OE2 3.5Å; R697-E817 PolarHBondContact NH2-OE2 3.2Å; R697-V818 HydrophobicContact CB-CG2 4.14Å; R697-V818 HydrophobicContact CG-CG2 3.94Å
698	F	97.8	Very high	95.4	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.4	-46.4	179.7	166.4	-107.3	0	0	0	112.8	W650 F651 L654 F694 I695 G696 M701 A702 I709	W650-F698 AromaticContact CH2-CD2 3.83Å; W650-F698 HydrophobicContact CH2-CD2 3.83Å; W650-F698 HydrophobicContact CH2-CE2 4.11Å; W650-F698 HydrophobicContact CZ3-CD2 4.11Å; W650-F698 HydrophobicContact CZ3-CE2 4.03Å; F651-F698 HydrophobicContact CD1-CD2 4.02Å; F651-F698 AromaticContact CD1-CE2 3.33Å; F651-F698 HydrophobicContact CD1-CE2 3.33Å; F651-F698 AromaticContact CD1-CZ 3.87Å; F651-F698 HydrophobicContact CD1-CZ 3.87Å; F651-F698 AromaticContact CE1-CD2 3.95Å; F651-F698 HydrophobicContact CE1-CD2 3.95Å; F651-F698 AromaticContact CE1-CE2 3.75Å; F651-F698 HydrophobicContact CE1-CE2 3.75Å; F651-F698 HydrophobicContact CG-CE2 4.24Å; L654-F698 HydrophobicContact CB-CE2 3.92Å; L654-F698 HydrophobicContact CB-CZ 4.01Å; L654-F698 HydrophobicContact CD2-CD2 3.56Å; L654-F698 HydrophobicContact CD2-CE2 3.53Å; L654-F698 HydrophobicContact CD2-CG 4.31Å; L654-F698 HydrophobicContact CD2-CZ 4.26Å; L654-F698 HydrophobicContact CG-CD2 4.13Å; L654-F698 HydrophobicContact CG-CE2 3.76Å; L654-F698 HydrophobicContact CG-CZ 3.98Å; F694-F698 WeakPolarHBondContact O-CB 3.45Å; F694-F698 PolarHBondContact O-N 3.31Å; I695-F698 WeakPolarHBondContact O-CB 3.07Å; I695-F698 PolarHBondContact O-N 2.93Å; I695-F698 VanDerWaalsContact O-N 3.14Å; G696-F698 PolarHBondContact O-N 2.97Å; F698-M701 WeakPolarHBondContact O-CB 3.1Å; F698-M701 PolarHBondContact O-N 3.22Å; F698-A702 PolarHBondContact O-N 2.62Å; F698-I709 HydrophobicContact CE1-CG2 4.07Å; F698-I709 HydrophobicContact CZ-CG2 3.87Å
699	I	95.6	Very high	95.2	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-66.8	-38.2	177.9	-58.3	-62.3	0	0	0	110.7	I695 G696 A702 L703 I709 F713 M721 F811 F815 L836	I695-I699 HydrophobicContact CG2-CG1 4.06Å; I695-I699 VanDerWaalsContact O-CG1 3.26Å; I695-I699 WeakPolarHBondContact O-CG1 3.4Å; I695-I699 PolarHBondContact O-N 2.99Å; G696-I699 PolarHBondContact O-N 3.43Å; I699-A702 WeakPolarHBondContact O-CB 3.43Å; I699-A702 PolarHBondContact O-N 2.75Å; I699-L703 PolarHBondContact O-N 2.63Å; I699-I709 HydrophobicContact CD1-CD1 3.43Å; I699-I709 VanDerWaalsContact CD1-CD1 3.43Å; I699-F713 HydrophobicContact CD1-CE2 3.75Å; I699-F713 HydrophobicContact CD1-CZ 4.14Å; I699-F713 HydrophobicContact CG1-CE2 4.41Å; I699-M721 HydrophobicContact CG2-CE 3.95Å; I699-F811 HydrophobicContact CB-CE2 4.43Å; I699-F811 HydrophobicContact CB-CZ 4.3Å; I699-F811 HydrophobicContact CG1-CE2 3.99Å; I699-F811 HydrophobicContact CG1-CZ 4.27Å; I699-F811 HydrophobicContact CG2-CZ 4.42Å; I699-F815 HydrophobicContact CB-CD2 4.41Å; I699-F815 HydrophobicContact CG2-CD2 4.35Å; I699-F815 HydrophobicContact CG2-CE2 4.09Å; I699-L836 HydrophobicContact CG2-CD1 3.83Å; I699-L836 HydrophobicContact CG2-CD2 3.72Å; I699-L836 HydrophobicContact CG2-CG 4.46Å
700	A	96.4	Very high	94.6	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-65.7	-39.3	172.8	0	0	0	0	0	112.7	G696 R697 A702 L703 F704 F815 V818 V819	G696-A700 WeakPolarHBondContact O-CB 3.38Å; G696-A700 PolarHBondContact O-N 3.05Å; R697-A700 PolarHBondContact O-N 3.09Å; A700-A702 VanDerWaalsContact C-N 3.33Å; A700-A702 PolarHBondContact O-N 2.99Å; A700-L703 PolarHBondContact O-N 2.96Å; A700-F704 WeakPolarHBondContact O-CB 3.41Å; A700-F704 PolarHBondContact O-N 2.83Å; A700-F815 HydrophobicContact CB-CB 4.49Å; A700-F815 HydrophobicContact CB-CD1 4.35Å; A700-F815 HydrophobicContact CB-CD2 3.7Å; A700-F815 HydrophobicContact CB-CE1 4.48Å; A700-F815 HydrophobicContact CB-CE2 3.87Å; A700-F815 HydrophobicContact CB-CG 3.95Å; A700-F815 HydrophobicContact CB-CZ 4.25Å; A700-F815 WeakPolarHBondContact CB-O 3.46Å; A700-V818 HydrophobicContact CB-CB 3.71Å; A700-V818 HydrophobicContact CB-CG1 3.97Å; A700-V819 HydrophobicContact CB-CB 4Å; A700-V819 HydrophobicContact CB-CG2 3.94Å; A700-V819 VanDerWaalsContact O-CG2 3.31Å; A700-V819 WeakPolarHBondContact O-CG2 3.24Å
701	M	97.3	Very high	93.7	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-62	-39	172.8	-73.9	167.1	62.9	0	0	112	I604 I619 L627 L631 W650 F651 R697 F698 F704 H705 V818	I604-M701 HydrophobicContact CD1-CE 4.1Å; I619-M701 HydrophobicContact CD1-CE 3.88Å; I619-M701 HydrophobicContact CD1-SD 3.84Å; I619-M701 HydrophobicContact CG1-CE 4.36Å; I619-M701 HydrophobicContact CG1-SD 4.21Å; I619-M701 HydrophobicContact CG2-SD 4.28Å; L627-M701 HydrophobicContact CB-CG 4.01Å; L627-M701 HydrophobicContact CB-SD 4.08Å; L627-M701 HydrophobicContact CD1-CG 4.48Å; L627-M701 HydrophobicContact CD1-SD 3.93Å; L627-M701 HydrophobicContact CD2-CE 4.32Å; L627-M701 HydrophobicContact CD2-SD 3.94Å; L627-M701 HydrophobicContact CG-SD 4.2Å; L631-M701 HydrophobicContact CD1-CE 3.65Å; L631-M701 HydrophobicContact CD2-CE 3.88Å; L631-M701 HydrophobicContact CG-CE 4.44Å; W650-M701 HydrophobicContact CH2-CE 4Å; W650-M701 HydrophobicContact CZ3-CE 4.3Å; F651-M701 HydrophobicContact CE1-CB 4.17Å; F651-M701 HydrophobicContact CZ-CB 3.93Å; R697-M701 WeakPolarHBondContact O-CB 3.46Å; R697-M701 WeakPolarHBondContact O-CG 3.41Å; R697-M701 PolarHBondContact O-N 3Å; F698-M701 WeakPolarHBondContact O-CB 3.1Å; F698-M701 PolarHBondContact O-N 3.22Å; M701-F704 PolarHBondContact O-N 3.48Å; M701-H705 WeakPolarHBondContact O-CB 3.07Å; M701-H705 PolarHBondContact O-CD2 3.01Å; M701-H705 VanDerWaalsContact O-CD2 3.27Å; M701-H705 PolarHBondContact O-N 3.18Å; M701-V818 HydrophobicContact CG-CG1 4.18Å
702	A	95.4	Very high	92.4	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-59.5	-51.6	176.9	0	0	0	0	0	110.6	F651 F698 I699 A700 G706 K707 I709 L836	F651-A702 HydrophobicContact CD1-CB 3.79Å; F651-A702 HydrophobicContact CE1-CB 3.55Å; F651-A702 HydrophobicContact CZ-CB 4.38Å; F698-A702 PolarHBondContact O-N 2.62Å; I699-A702 WeakPolarHBondContact O-CB 3.43Å; I699-A702 PolarHBondContact O-N 2.75Å; A700-A702 VanDerWaalsContact C-N 3.33Å; A700-A702 PolarHBondContact O-N 2.99Å; A702-G706 PolarHBondContact O-N 3.39Å; A702-K707 CarbonylContact C-O 3.53Å; A702-K707 WeakPolarHBondContact CB-O 3.47Å; A702-K707 PolarHBondContact O-N 2.95Å; A702-K707 VanDerWaalsContact O-O 3.05Å; A702-I709 HydrophobicContact CB-CG2 3.94Å; A702-L836 HydrophobicContact CB-CD2 4.15Å
703	L	93.2	Very high	91.7	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-58.8	-50.2	175.1	-76.2	166.7	0	0	0	112.4	F589 R590 I699 A700 H705 G706 F815 L832 M835 L836	F589-L703 HydrophobicContact CE1-CB 4.17Å; F589-L703 HydrophobicContact CZ-CB 4Å; R590-L703 PolarHBondContact NH1-O 2.89Å; I699-L703 PolarHBondContact O-N 2.63Å; A700-L703 PolarHBondContact O-N 2.96Å; L703-H705 PolarHBondContact O-N 3.47Å; L703-G706 PolarHBondContact O-N 2.94Å; L703-F815 HydrophobicContact CD1-CE2 3.72Å; L703-F815 HydrophobicContact CD1-CZ 3.56Å; L703-L832 HydrophobicContact CD1-CD1 3.93Å; L703-L832 HydrophobicContact CD2-CD1 4.32Å; L703-M835 HydrophobicContact CD2-CB 3.59Å; L703-M835 HydrophobicContact CD2-CE 4.08Å; L703-M835 HydrophobicContact CD2-SD 4.49Å; L703-L836 HydrophobicContact CD1-CD2 4.19Å; L703-L836 HydrophobicContact CD1-CG 4.36Å; L703-L836 HydrophobicContact CD2-CD2 4.05Å; L703-L836 HydrophobicContact CD2-CG 3.96Å; L703-L836 HydrophobicContact CG-CD2 3.66Å; L703-L836 HydrophobicContact CG-CG 4.05Å
704	F	93.9	Very high	90.9	Very high	13 Å²	13	9.9 Å²	9.9	6%	0.057	6%	0.056	C	C	.	.	H	α-helix	trans	-60.5	-46.9	-176.1	-168.9	-86.6	0	0	0	112.4	C593 N596 A597 R628 A700 M701 G706 V819 W823	C593-F704 HydrophobicContact CB-CD2 3.86Å; C593-F704 HydrophobicContact CB-CE2 3.89Å; C593-F704 HydrophobicContact CB-CG 4.25Å; C593-F704 HydrophobicContact CB-CZ 4.3Å; C593-F704 WeakPolarHBondContact O-CZ 3.31Å; N596-F704 HydrophobicContact CB-CE2 4.46Å; A597-F704 HydrophobicContact CB-CE1 4.3Å; A597-F704 HydrophobicContact CB-CZ 4.26Å; R628-F704 HydrophobicContact CB-CD1 4.45Å; R628-F704 HydrophobicContact CB-CE1 3.72Å; R628-F704 HydrophobicContact CB-CE2 4.22Å; R628-F704 HydrophobicContact CB-CZ 3.58Å; R628-F704 HydrophobicContact CG-CD2 4.29Å; R628-F704 HydrophobicContact CG-CE1 4.11Å; R628-F704 HydrophobicContact CG-CE2 3.83Å; R628-F704 HydrophobicContact CG-CZ 3.73Å; A700-F704 WeakPolarHBondContact O-CB 3.41Å; A700-F704 PolarHBondContact O-N 2.83Å; M701-F704 PolarHBondContact O-N 3.48Å; F704-G706 VanDerWaalsContact C-N 3.32Å; F704-G706 PolarHBondContact O-N 3.45Å; F704-V819 HydrophobicContact CB-CG2 3.89Å; F704-V819 HydrophobicContact CD2-CG2 4.08Å; F704-V819 HydrophobicContact CG-CG2 4.48Å; F704-W823 HydrophobicContact CD2-CZ3 4.27Å; F704-W823 HydrophobicContact CE2-CH2 4.44Å; F704-W823 HydrophobicContact CE2-CZ3 4.12Å
705	H	89.4	Confident	90.1	Very high	46 Å²	46	11.2 Å²	11.2	21%	0.213	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	3.9	-176.1	-69	-70.4	0	0	0	114.6	L627 R629 L631 M701 L703 K707	L627-H705 PolarHBondContact O-NE2 2.96Å; R629-H705 PolarHBondContact O-CE1 2.98Å; L631-H705 VanDerWaalsContact CD1-CD2 3.48Å; L631-H705 WeakPolarHBondContact CD1-CD2 3.25Å; M701-H705 WeakPolarHBondContact O-CB 3.07Å; M701-H705 PolarHBondContact O-CD2 3.01Å; M701-H705 VanDerWaalsContact O-CD2 3.27Å; M701-H705 PolarHBondContact O-N 3.18Å; L703-H705 PolarHBondContact O-N 3.47Å; H705-K707 VanDerWaalsContact C-N 3.34Å; H705-K707 HydrophobicContact CB-CG 4.04Å; H705-K707 PolarHBondContact O-N 2.87Å
706	G	87.6	Confident	89.6	Confident	24 Å²	24	11.4 Å²	11.4	25%	0.247	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	42.2	-178.2	0	0	0	0	0	112.3	A702 L703 F704	A702-G706 PolarHBondContact O-N 3.39Å; L703-G706 PolarHBondContact O-N 2.94Å; F704-G706 VanDerWaalsContact C-N 3.32Å; F704-G706 PolarHBondContact O-N 3.45Å
707	K	90.7	Very high	89.1	Confident	35 Å²	35	12.5 Å²	12.5	15%	0.152	7%	0.069	C	C	.	.			trans	-112.6	134.3	177.7	-58	-65.6	-177.4	171.6	0	108.8	Y477 G644 R648 F651 A702 H705	Y477-K707 HydrophobicContact CE1-CD 4.22Å; Y477-K707 WeakPolarHBondContact OH-CA 3.41Å; G644-K707 PolarHBondContact O-NZ 2.86Å; G644-K707 VanDerWaalsContact O-NZ 3.1Å; R648-K707 HydrophobicContact CG-CD 4.3Å; F651-K707 HydrophobicContact CB-CB 4.42Å; F651-K707 HydrophobicContact CD1-CB 4.39Å; F651-K707 HydrophobicContact CD2-CB 3.42Å; F651-K707 VanDerWaalsContact CD2-CB 3.42Å; F651-K707 HydrophobicContact CD2-CD 4.44Å; F651-K707 HydrophobicContact CD2-CG 3.59Å; F651-K707 HydrophobicContact CE2-CB 3.66Å; F651-K707 HydrophobicContact CE2-CG 3.55Å; F651-K707 HydrophobicContact CG-CB 3.84Å; F651-K707 HydrophobicContact CG-CG 4.49Å; F651-K707 HydrophobicContact CZ-CB 4.23Å; F651-K707 HydrophobicContact CZ-CG 4.4Å; A702-K707 CarbonylContact C-O 3.53Å; A702-K707 WeakPolarHBondContact CB-O 3.47Å; A702-K707 PolarHBondContact O-N 2.95Å; A702-K707 VanDerWaalsContact O-O 3.05Å; H705-K707 VanDerWaalsContact C-N 3.34Å; H705-K707 HydrophobicContact CB-CG 4.04Å; H705-K707 PolarHBondContact O-N 2.87Å
708	F	92	Very high	88.6	Confident	17 Å²	17	11.6 Å²	11.6	8%	0.075	7%	0.065	C	C	.	.			trans	-81.9	162.5	173.9	-53.7	-42.1	0	0	0	111.2	F473 R476 Y477 F651 L836 G838	F473-F708 HydrophobicContact CE2-CB 3.95Å; F473-F708 HydrophobicContact CZ-CB 3.81Å; F473-F708 WeakPolarHBondContact CZ-O 3.37Å; R476-F708 HydrophobicContact CB-CD2 4.08Å; R476-F708 HydrophobicContact CB-CE2 4.18Å; Y477-F708 AromaticContact CD1-CD2 3.98Å; Y477-F708 HydrophobicContact CD1-CD2 3.98Å; Y477-F708 AromaticContact CD1-CE2 3.96Å; Y477-F708 HydrophobicContact CD1-CE2 3.96Å; Y477-F708 AromaticContact CD2-CD2 3.9Å; Y477-F708 HydrophobicContact CD2-CD2 3.9Å; Y477-F708 HydrophobicContact CD2-CE2 4.4Å; Y477-F708 AromaticContact CE1-CD2 3.91Å; Y477-F708 HydrophobicContact CE1-CD2 3.91Å; Y477-F708 HydrophobicContact CE1-CE2 4.25Å; Y477-F708 HydrophobicContact CE1-CG 4.39Å; Y477-F708 HydrophobicContact CE2-CB 4.3Å; Y477-F708 AromaticContact CE2-CD2 3.81Å; Y477-F708 HydrophobicContact CE2-CD2 3.81Å; Y477-F708 HydrophobicContact CE2-CG 4.43Å; Y477-F708 AromaticContact CG-CD2 4Å; Y477-F708 HydrophobicContact CG-CD2 4Å; Y477-F708 HydrophobicContact CG-CE2 4.07Å; Y477-F708 AromaticContact CZ-CD2 3.83Å; Y477-F708 PolarHBondContact OH-N 2.8Å; F651-F708 WeakPolarHBondContact CB-O 3.49Å; F708-L836 CarbonylContact C-O 3.47Å; F708-L836 WeakPolarHBondContact CA-O 3.31Å; F708-L836 WeakPolarHBondContact CB-O 3.36Å; F708-G838 VanDerWaalsContact CD1-CA 3.45Å
709	I	91.1	Very high	88.2	Confident	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.069	C	C	.	.			trans	-129.5	166.3	170.5	56.5	168.8	0	0	0	108.2	F651 F698 I699 A702 F713 L836 C837	F651-I709 HydrophobicContact CD1-CG2 4.18Å; F698-I709 HydrophobicContact CE1-CG2 4.07Å; F698-I709 HydrophobicContact CZ-CG2 3.87Å; I699-I709 HydrophobicContact CD1-CD1 3.43Å; I699-I709 VanDerWaalsContact CD1-CD1 3.43Å; A702-I709 HydrophobicContact CB-CG2 3.94Å; I709-F713 HydrophobicContact CD1-CE2 4.27Å; I709-L836 HydrophobicContact CD1-CB 4.14Å; I709-L836 HydrophobicContact CD1-CD2 3.86Å; I709-L836 HydrophobicContact CD1-CG 4.42Å; I709-L836 HydrophobicContact CG1-CB 4.03Å; I709-L836 HydrophobicContact CG1-CD2 4.15Å; I709-L836 WeakPolarHBondContact CG1-O 3.17Å; I709-L836 PolarHBondContact N-O 2.81Å; I709-C837 WeakPolarHBondContact O-CA 3.18Å
710	D	85.5	Confident	87.7	Confident	18 Å²	18	16.9 Å²	16.9	10%	0.096	9%	0.086	C	C	.	.			trans	-117.4	13.3	174.7	-140.8	12.2	0	0	0	113.7	F473 R476 F652 S655 G712 R890	F473-D710 HydrophobicContact CD2-CB 4.31Å; F473-D710 HydrophobicContact CE2-CB 4.21Å; R476-D710 IonicContact CZ-OD1 2.72Å; R476-D710 VanDerWaalsContact CZ-OD1 3.25Å; R476-D710 IonicContact NH1-OD1 3.31Å; R476-D710 PolarHBondContact NH1-OD1 3.44Å; R476-D710 IonicContact NH2-OD1 2.72Å; R476-D710 PolarHBondContact NH2-OD1 2.84Å; R476-D710 IonicContact NH2-OD2 3.37Å; R476-D710 PolarHBondContact NH2-OD2 3.25Å; F652-D710 HydrophobicContact CD2-CB 4.22Å; F652-D710 HydrophobicContact CE2-CB 4.11Å; S655-D710 PolarHBondContact OG-N 2.89Å; D710-G712 PolarHBondContact O-N 2.92Å; D710-R890 PolarHBondContact O-NH1 3.38Å; D710-R890 WeakPolarHBondContact OD1-CD 3.28Å
711	T	78.4	Confident	87.2	Confident	0 Å²	0	17 Å²	17	0%	0	9%	0.087	C	C	.	.			trans	-63.9	119.2	176.6	-42.2	0	0	0	0	111.3	S655 V658 L659 L676 F713	S655-T711 VanDerWaalsContact CB-OG1 3.28Å; S655-T711 WeakPolarHBondContact CB-OG1 3.23Å; S655-T711 PolarHBondContact O-OG1 3.35Å; V658-T711 HydrophobicContact CG2-CG2 4.24Å; L659-T711 HydrophobicContact CD1-CG2 4Å; L659-T711 HydrophobicContact CD2-CG2 3.69Å; L659-T711 HydrophobicContact CG-CG2 4.01Å; L676-T711 HydrophobicContact CD2-CG2 4.49Å; T711-F713 VanDerWaalsContact C-N 3.33Å; T711-F713 HydrophobicContact CG2-CD1 4.31Å; T711-F713 HydrophobicContact CG2-CD2 3.94Å; T711-F713 HydrophobicContact CG2-CE1 3.88Å; T711-F713 HydrophobicContact CG2-CE2 3.48Å; T711-F713 VanDerWaalsContact CG2-CE2 3.48Å; T711-F713 HydrophobicContact CG2-CG 4.34Å; T711-F713 HydrophobicContact CG2-CZ 3.46Å; T711-F713 VanDerWaalsContact CG2-CZ 3.46Å; T711-F713 PolarHBondContact O-N 3.26Å
712	G	71.9	Confident	86.7	Confident	12 Å²	12	18.4 Å²	18.4	12%	0.124	9%	0.094	C	C	.	.			trans	-80.9	68.9	178.4	0	0	0	0	0	113.7	L676 D710 R890	L676-G712 VanDerWaalsContact CB-O 3.29Å; L676-G712 WeakPolarHBondContact CB-O 3.36Å; D710-G712 PolarHBondContact O-N 2.92Å; G712-R890 VanDerWaalsContact CA-NH2 3.27Å
713	F	81.7	Confident	86.1	Confident	9 Å²	9	24.5 Å²	24.5	4%	0.039	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-69.8	148.7	168.2	-59.2	-71.1	0	0	0	110.6	F666 L676 I699 I709 T711 F717 Y718	F666-F713 AromaticContact CE1-CE1 3.92Å; F666-F713 HydrophobicContact CE1-CE1 3.92Å; F666-F713 AromaticContact CZ-CE1 3.94Å; F666-F713 HydrophobicContact CZ-CE1 3.94Å; L676-F713 HydrophobicContact CD2-CD1 3.96Å; L676-F713 HydrophobicContact CD2-CE1 4.08Å; I699-F713 HydrophobicContact CD1-CE2 3.75Å; I699-F713 HydrophobicContact CD1-CZ 4.14Å; I699-F713 HydrophobicContact CG1-CE2 4.41Å; I709-F713 HydrophobicContact CD1-CE2 4.27Å; T711-F713 VanDerWaalsContact C-N 3.33Å; T711-F713 HydrophobicContact CG2-CD1 4.31Å; T711-F713 HydrophobicContact CG2-CD2 3.94Å; T711-F713 HydrophobicContact CG2-CE1 3.88Å; T711-F713 HydrophobicContact CG2-CE2 3.48Å; T711-F713 VanDerWaalsContact CG2-CE2 3.48Å; T711-F713 HydrophobicContact CG2-CG 4.34Å; T711-F713 HydrophobicContact CG2-CZ 3.46Å; T711-F713 VanDerWaalsContact CG2-CZ 3.46Å; T711-F713 PolarHBondContact O-N 3.26Å; F713-F717 HydrophobicContact CB-CB 4.21Å; F713-F717 HydrophobicContact CB-CD1 3.66Å; F713-F717 HydrophobicContact CB-CE1 4.31Å; F713-F717 HydrophobicContact CB-CG 4.11Å; F713-F717 AromaticContact CD1-CD1 3.67Å; F713-F717 HydrophobicContact CD1-CD1 3.67Å; F713-F717 HydrophobicContact CD1-CD2 4.29Å; F713-F717 AromaticContact CD1-CE1 3.59Å; F713-F717 HydrophobicContact CD1-CE1 3.59Å; F713-F717 HydrophobicContact CD1-CE2 4.22Å; F713-F717 HydrophobicContact CD1-CG 4.03Å; F713-F717 AromaticContact CD1-CZ 3.89Å; F713-F717 HydrophobicContact CD1-CZ 3.89Å; F713-F717 HydrophobicContact CD2-CD1 4.36Å; F713-F717 HydrophobicContact CD2-CE1 4.2Å; F713-F717 HydrophobicContact CE1-CD1 4.39Å; F713-F717 AromaticContact CE1-CE1 3.85Å; F713-F717 HydrophobicContact CE1-CE1 3.85Å; F713-F717 HydrophobicContact CE1-CE2 4.35Å; F713-F717 AromaticContact CE1-CZ 3.83Å; F713-F717 HydrophobicContact CE1-CZ 3.83Å; F713-F717 HydrophobicContact CE2-CE1 4.42Å; F713-F717 AromaticContact CG-CD1 3.65Å; F713-F717 HydrophobicContact CG-CD1 3.65Å; F713-F717 AromaticContact CG-CE1 3.78Å; F713-F717 HydrophobicContact CG-CE1 3.78Å; F713-F717 HydrophobicContact CG-CG 4.3Å; F713-F717 HydrophobicContact CZ-CE1 4.25Å; F713-F717 HydrophobicContact CZ-CZ 4.41Å; F713-Y718 HydrophobicContact CB-CE1 4.13Å; F713-Y718 HydrophobicContact CB-CE2 3.92Å; F713-Y718 HydrophobicContact CD2-CE1 4.25Å; F713-Y718 WeakPolarHBondContact O-CE2 3.39Å
714	S	80.8	Confident	85.8	Confident	13 Å²	13	26.7 Å²	26.7	9%	0.091	14%	0.136	C	C	.	.			trans	-81.1	152.8	178.7	56.5	0	0	0	0	111.7	C675 L676 P716 F717 Y718	C675-S714 VanDerWaalsContact SG-CB 3.55Å; L676-S714 PolarHBondContact O-OG 2.67Å; L676-S714 VanDerWaalsContact O-OG 3.13Å; S714-P716 VanDerWaalsContact C-N 3.27Å; S714-F717 WeakPolarHBondContact O-CA 3.34Å; S714-F717 VanDerWaalsContact O-CB 3.26Å; S714-F717 WeakPolarHBondContact O-CB 3.33Å; S714-F717 PolarHBondContact O-N 2.99Å; S714-Y718 PolarHBondContact O-N 3.02Å
715	L	82.1	Confident	85.3	Confident	28 Å²	28	33.6 Å²	33.6	15%	0.147	17%	0.166	C	C	.	.	H	α-helix	trans	-52.2	-36.1	176.7	-63.9	177.7	0	0	0	114.1	F717 Y718 K719 K830 G887	L715-F717 VanDerWaalsContact C-N 3.31Å; L715-F717 PolarHBondContact O-N 2.83Å; L715-Y718 HydrophobicContact CD2-CD2 4.4Å; L715-Y718 PolarHBondContact O-N 3.08Å; L715-K719 PolarHBondContact O-N 3.44Å; L715-K830 HydrophobicContact CD1-CG 4.37Å; L715-K830 HydrophobicContact CD2-CG 3.89Å; L715-G887 WeakPolarHBondContact CG-O 3.44Å
716	P	85.5	Confident	85.2	Confident	4 Å²	4	32.9 Å²	32.9	3%	0.026	16%	0.163	C	C	.	.	H	α-helix	trans	-64.3	-31.5	173.2	-24.9	38.4	0	0	0	113.6	S714 K719 R720 L726 D730 S733 I734 F800	S714-P716 VanDerWaalsContact C-N 3.27Å; P716-K719 PolarHBondContact O-N 2.72Å; P716-R720 WeakPolarHBondContact O-CB 3.46Å; P716-R720 PolarHBondContact O-N 2.82Å; P716-L726 HydrophobicContact CB-CD2 3.93Å; P716-D730 HydrophobicContact CB-CB 4.46Å; P716-D730 HydrophobicContact CG-CB 3.95Å; P716-S733 WeakPolarHBondContact CG-OG 3.49Å; P716-I734 HydrophobicContact CB-CD1 3.91Å; P716-I734 HydrophobicContact CG-CD1 3.92Å; P716-I734 HydrophobicContact CG-CG1 4.02Å; P716-F800 HydrophobicContact CB-CE1 4.42Å
717	F	86.4	Confident	85.1	Confident	24 Å²	24	34.9 Å²	34.9	11%	0.105	17%	0.168	C	C	.	.	H	α-helix	trans	-65	-46.1	172	-174.9	-88.8	0	0	0	110.6	I678 F713 S714 L715 K719 R720 M721 F811	I678-F717 HydrophobicContact CD1-CE2 4.11Å; I678-F717 HydrophobicContact CG1-CE2 4.12Å; F713-F717 HydrophobicContact CB-CB 4.21Å; F713-F717 HydrophobicContact CB-CD1 3.66Å; F713-F717 HydrophobicContact CB-CE1 4.31Å; F713-F717 HydrophobicContact CB-CG 4.11Å; F713-F717 AromaticContact CD1-CD1 3.67Å; F713-F717 HydrophobicContact CD1-CD1 3.67Å; F713-F717 HydrophobicContact CD1-CD2 4.29Å; F713-F717 AromaticContact CD1-CE1 3.59Å; F713-F717 HydrophobicContact CD1-CE1 3.59Å; F713-F717 HydrophobicContact CD1-CE2 4.22Å; F713-F717 HydrophobicContact CD1-CG 4.03Å; F713-F717 AromaticContact CD1-CZ 3.89Å; F713-F717 HydrophobicContact CD1-CZ 3.89Å; F713-F717 HydrophobicContact CD2-CD1 4.36Å; F713-F717 HydrophobicContact CD2-CE1 4.2Å; F713-F717 HydrophobicContact CE1-CD1 4.39Å; F713-F717 AromaticContact CE1-CE1 3.85Å; F713-F717 HydrophobicContact CE1-CE1 3.85Å; F713-F717 HydrophobicContact CE1-CE2 4.35Å; F713-F717 AromaticContact CE1-CZ 3.83Å; F713-F717 HydrophobicContact CE1-CZ 3.83Å; F713-F717 HydrophobicContact CE2-CE1 4.42Å; F713-F717 AromaticContact CG-CD1 3.65Å; F713-F717 HydrophobicContact CG-CD1 3.65Å; F713-F717 AromaticContact CG-CE1 3.78Å; F713-F717 HydrophobicContact CG-CE1 3.78Å; F713-F717 HydrophobicContact CG-CG 4.3Å; F713-F717 HydrophobicContact CZ-CE1 4.25Å; F713-F717 HydrophobicContact CZ-CZ 4.41Å; S714-F717 WeakPolarHBondContact O-CA 3.34Å; S714-F717 VanDerWaalsContact O-CB 3.26Å; S714-F717 WeakPolarHBondContact O-CB 3.33Å; S714-F717 PolarHBondContact O-N 2.99Å; L715-F717 VanDerWaalsContact C-N 3.31Å; L715-F717 PolarHBondContact O-N 2.83Å; F717-K719 PolarHBondContact O-N 3.21Å; F717-R720 WeakPolarHBondContact O-CA 3.19Å; F717-R720 WeakPolarHBondContact O-CB 3.37Å; F717-R720 PolarHBondContact O-N 2.73Å; F717-R720 VanDerWaalsContact O-N 3.1Å; F717-M721 HydrophobicContact CD1-CG 4.17Å; F717-M721 HydrophobicContact CD1-SD 3.96Å; F717-M721 HydrophobicContact CE1-CG 4.03Å; F717-M721 HydrophobicContact CE1-SD 3.66Å; F717-M721 WeakPolarHBondContact O-CG 3.43Å; F717-M721 PolarHBondContact O-N 3.43Å; F717-F811 HydrophobicContact CE1-CE1 4.32Å; F717-F811 HydrophobicContact CE1-CE2 4.22Å; F717-F811 AromaticContact CE1-CZ 3.89Å; F717-F811 HydrophobicContact CE1-CZ 3.89Å; F717-F811 HydrophobicContact CZ-CD1 4.41Å; F717-F811 HydrophobicContact CZ-CD2 4.13Å; F717-F811 HydrophobicContact CZ-CE1 4.14Å; F717-F811 AromaticContact CZ-CE2 3.77Å; F717-F811 HydrophobicContact CZ-CE2 3.77Å; F717-F811 HydrophobicContact CZ-CG 4.44Å; F717-F811 AromaticContact CZ-CZ 3.8Å; F717-F811 HydrophobicContact CZ-CZ 3.8Å
718	Y	88.1	Confident	84.9	Confident	0 Å²	0	35 Å²	35	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.4	-37.3	175.3	-64.6	-58	0	0	0	113	F713 S714 L715 R720 M721 L722 L832 E833 L836	F713-Y718 HydrophobicContact CB-CE1 4.13Å; F713-Y718 HydrophobicContact CB-CE2 3.92Å; F713-Y718 HydrophobicContact CD2-CE1 4.25Å; F713-Y718 WeakPolarHBondContact O-CE2 3.39Å; S714-Y718 PolarHBondContact O-N 3.02Å; L715-Y718 HydrophobicContact CD2-CD2 4.4Å; L715-Y718 PolarHBondContact O-N 3.08Å; Y718-R720 VanDerWaalsContact C-N 3.31Å; Y718-R720 PolarHBondContact O-N 2.98Å; Y718-M721 HydrophobicContact CD1-SD 3.86Å; Y718-M721 HydrophobicContact CE1-SD 4.35Å; Y718-M721 WeakPolarHBondContact O-CB 3.38Å; Y718-M721 PolarHBondContact O-N 3.36Å; Y718-L722 WeakPolarHBondContact O-CG 3.24Å; Y718-L722 PolarHBondContact O-N 3.05Å; Y718-L832 HydrophobicContact CD1-CD2 3.98Å; Y718-L832 HydrophobicContact CD1-CG 4Å; Y718-E833 HydrophobicContact CD2-CB 4.01Å; Y718-E833 HydrophobicContact CD2-CG 4.4Å; Y718-E833 HydrophobicContact CE2-CB 3.69Å; Y718-E833 HydrophobicContact CE2-CG 3.65Å; Y718-L836 HydrophobicContact CD1-CD1 4.35Å; Y718-L836 HydrophobicContact CE1-CD1 3.62Å
719	K	88.9	Confident	84.5	Confident	17 Å²	17	37.6 Å²	37.6	7%	0.074	18%	0.181	C	C	.	.	H	α-helix	trans	-58.6	-42.7	169.3	-78.3	-176	171.1	-178	0	111.9	L715 P716 F717 M721 L722 N723 K724 L726 D730 E829	L715-K719 PolarHBondContact O-N 3.44Å; P716-K719 PolarHBondContact O-N 2.72Å; F717-K719 PolarHBondContact O-N 3.21Å; K719-M721 VanDerWaalsContact C-N 3.34Å; K719-L722 CarbonylContact O-C 3.56Å; K719-L722 PolarHBondContact O-N 2.78Å; K719-N723 PolarHBondContact O-N 3.34Å; K719-K724 HydrophobicContact CB-CB 4.15Å; K719-K724 HydrophobicContact CG-CB 4.4Å; K719-K724 HydrophobicContact CG-CD 4.4Å; K719-K724 PolarHBondContact O-N 2.92Å; K719-L726 HydrophobicContact CB-CD2 3.48Å; K719-L726 VanDerWaalsContact CB-CD2 3.48Å; K719-L726 HydrophobicContact CD-CD2 3.85Å; K719-L726 HydrophobicContact CG-CD2 4.3Å; K719-D730 WeakPolarHBondContact CD-OD2 3.39Å; K719-D730 IonicContact NZ-OD1 3.44Å; K719-D730 PolarHBondContact NZ-OD1 3.21Å; K719-D730 IonicContact NZ-OD2 3.47Å; K719-D730 PolarHBondContact NZ-OD2 3.03Å; K719-E829 HydrophobicContact CD-CG 4.46Å; K719-E829 WeakPolarHBondContact CE-OE1 3.08Å; K719-E829 HydrophobicContact CG-CB 3.75Å; K719-E829 HydrophobicContact CG-CG 3.72Å; K719-E829 IonicContact NZ-OE1 3.04Å
720	R	86	Confident	84.2	Confident	94 Å²	94	38.4 Å²	38.4	36%	0.355	19%	0.186	S	C	.	.	H	α-helix	trans	-65.4	-35.7	176.6	-166.1	60.6	160.3	141	-3.1	112.2	P716 F717 Y718 N723 T808	P716-R720 WeakPolarHBondContact O-CB 3.46Å; P716-R720 PolarHBondContact O-N 2.82Å; F717-R720 WeakPolarHBondContact O-CA 3.19Å; F717-R720 WeakPolarHBondContact O-CB 3.37Å; F717-R720 PolarHBondContact O-N 2.73Å; F717-R720 VanDerWaalsContact O-N 3.1Å; Y718-R720 VanDerWaalsContact C-N 3.31Å; Y718-R720 PolarHBondContact O-N 2.98Å; R720-N723 PolarHBondContact O-N 3.21Å; R720-T808 HydrophobicContact CG-CG2 3.62Å
721	M	85.6	Confident	84.3	Confident	4 Å²	4	37.6 Å²	37.6	2%	0.02	18%	0.181	C	C	.	.	H	α-helix	trans	-60.9	-44.2	170.1	-65.4	-175.4	62.3	0	0	112.2	I699 F717 Y718 K719 N723 F811 F815 L832	I699-M721 HydrophobicContact CG2-CE 3.95Å; F717-M721 HydrophobicContact CD1-CG 4.17Å; F717-M721 HydrophobicContact CD1-SD 3.96Å; F717-M721 HydrophobicContact CE1-CG 4.03Å; F717-M721 HydrophobicContact CE1-SD 3.66Å; F717-M721 WeakPolarHBondContact O-CG 3.43Å; F717-M721 PolarHBondContact O-N 3.43Å; Y718-M721 HydrophobicContact CD1-SD 3.86Å; Y718-M721 HydrophobicContact CE1-SD 4.35Å; Y718-M721 WeakPolarHBondContact O-CB 3.38Å; Y718-M721 PolarHBondContact O-N 3.36Å; K719-M721 VanDerWaalsContact C-N 3.34Å; M721-N723 PolarHBondContact O-N 2.9Å; M721-F811 HydrophobicContact CE-CE1 3.94Å; M721-F811 HydrophobicContact CE-CZ 3.87Å; M721-F811 HydrophobicContact CG-CE1 3.8Å; M721-F811 HydrophobicContact CG-CZ 4.3Å; M721-F811 HydrophobicContact SD-CE1 4.02Å; M721-F811 HydrophobicContact SD-CZ 3.93Å; M721-F815 HydrophobicContact CE-CD2 3.74Å; M721-F815 HydrophobicContact CE-CE2 3.42Å; M721-F815 VanDerWaalsContact CE-CE2 3.42Å; M721-F815 HydrophobicContact CE-CZ 4.11Å; M721-L832 HydrophobicContact CB-CD2 3.88Å; M721-L832 HydrophobicContact CE-CD2 4.2Å; M721-L832 HydrophobicContact SD-CD2 4.15Å
722	L	86.5	Confident	84.5	Confident	29 Å²	29	38.2 Å²	38.2	15%	0.152	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	8.7	178.4	-64	170.7	0	0	0	113.7	Y718 K719 K724 L824 E829 L832	Y718-L722 WeakPolarHBondContact O-CG 3.24Å; Y718-L722 PolarHBondContact O-N 3.05Å; K719-L722 CarbonylContact O-C 3.56Å; K719-L722 PolarHBondContact O-N 2.78Å; L722-K724 HydrophobicContact CB-CD 4.34Å; L722-K724 HydrophobicContact CB-CG 3.95Å; L722-K724 PolarHBondContact O-N 3.24Å; L722-K724 VanDerWaalsContact O-N 3.09Å; L722-L824 HydrophobicContact CD2-CB 3.63Å; L722-L824 HydrophobicContact CD2-CD1 4.21Å; L722-E829 HydrophobicContact CD1-CB 4.18Å; L722-E829 VanDerWaalsContact CD1-N 3.32Å; L722-L832 HydrophobicContact CD1-CB 4.35Å; L722-L832 HydrophobicContact CD1-CD2 4.22Å; L722-L832 HydrophobicContact CD2-CD2 3.95Å; L722-L832 HydrophobicContact CG-CD2 3.79Å
723	N	82.9	Confident	84.7	Confident	127 Å²	127	39 Å²	39	68%	0.679	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	27	-174.1	-163.5	43.4	0	0	0	114.3	K719 R720 M721	K719-N723 PolarHBondContact O-N 3.34Å; R720-N723 PolarHBondContact O-N 3.21Å; M721-N723 PolarHBondContact O-N 2.9Å
724	K	86.3	Confident	84.7	Confident	46 Å²	46	39.1 Å²	39.1	20%	0.2	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-78.5	146.9	176.4	-65.6	-172.5	178.9	-166.4	0	110.9	K719 L722 L726 E829 E952	K719-K724 HydrophobicContact CB-CB 4.15Å; K719-K724 HydrophobicContact CG-CB 4.4Å; K719-K724 HydrophobicContact CG-CD 4.4Å; K719-K724 PolarHBondContact O-N 2.92Å; L722-K724 HydrophobicContact CB-CD 4.34Å; L722-K724 HydrophobicContact CB-CG 3.95Å; L722-K724 PolarHBondContact O-N 3.24Å; L722-K724 VanDerWaalsContact O-N 3.09Å; K724-L726 PolarHBondContact O-N 3.24Å; K724-E829 WeakPolarHBondContact CD-OE2 3.36Å; K724-E829 WeakPolarHBondContact CE-OE2 3.5Å; K724-E829 IonicContact NZ-OE2 2.69Å; K724-E829 PolarHBondContact NZ-OE2 3.33Å; K724-E952 IonicContact NZ-OE1 2.77Å; K724-E952 PolarHBondContact NZ-OE1 3.13Å
725	K	84.3	Confident	84.7	Confident	158 Å²	158	40.3 Å²	40.3	69%	0.687	19%	0.194	S	C	*	.	P	Polyproline II helix	trans	-67	132.1	170.9	-178.7	164.2	-175.4	167	0	110.1
726	L	86.9	Confident	84.8	Confident	31 Å²	31	40.3 Å²	40.3	16%	0.162	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-81	139.2	171.4	-58.8	177.1	0	0	0	109.6	P716 K719 K724 F800	P716-L726 HydrophobicContact CB-CD2 3.93Å; K719-L726 HydrophobicContact CB-CD2 3.48Å; K719-L726 VanDerWaalsContact CB-CD2 3.48Å; K719-L726 HydrophobicContact CD-CD2 3.85Å; K719-L726 HydrophobicContact CG-CD2 4.3Å; K724-L726 PolarHBondContact O-N 3.24Å; L726-F800 HydrophobicContact CB-CD1 4.49Å; L726-F800 HydrophobicContact CB-CD2 3.64Å; L726-F800 HydrophobicContact CB-CE2 3.68Å; L726-F800 HydrophobicContact CB-CG 4.08Å; L726-F800 HydrophobicContact CB-CZ 4.13Å; L726-F800 HydrophobicContact CD1-CB 3.67Å; L726-F800 HydrophobicContact CD1-CD1 3.7Å; L726-F800 HydrophobicContact CD1-CD2 4.02Å; L726-F800 HydrophobicContact CD1-CE1 4.29Å; L726-F800 HydrophobicContact CD1-CG 3.55Å; L726-F800 HydrophobicContact CG-CD2 4.48Å; L726-F800 HydrophobicContact CG-CG 4.45Å
727	I	85.5	Confident	84.7	Confident	67 Å²	67	47.4 Å²	47.4	34%	0.344	23%	0.228	S	C	.	.			trans	-116.6	163.4	-176.1	60.3	164.4	0	0	0	111.6	K729 D730	I727-K729 HydrophobicContact CD1-CB 4.25Å; I727-K729 PolarHBondContact O-N 3.41Å; I727-D730 VanDerWaalsContact CG1-OD2 3.31Å; I727-D730 WeakPolarHBondContact CG1-OD2 3.3Å; I727-D730 PolarHBondContact N-OD2 3.5Å; I727-D730 VanDerWaalsContact O-CB 3.29Å; I727-D730 WeakPolarHBondContact O-CB 3.07Å; I727-D730 PolarHBondContact O-N 3.24Å
728	L	86.8	Confident	84.7	Confident	37 Å²	37	48.1 Å²	48.1	19%	0.194	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-52.3	-35.2	-179.5	-178.5	63.2	0	0	0	113.3	D730 L731 Y739 L742 I743 I792 A796	L728-D730 VanDerWaalsContact C-N 3.35Å; L728-D730 PolarHBondContact O-N 3.32Å; L728-L731 HydrophobicContact CD1-CD2 4.26Å; L728-L731 WeakPolarHBondContact O-CB 3.3Å; L728-L731 PolarHBondContact O-N 3.24Å; L728-Y739 HydrophobicContact CD1-CD2 4.36Å; L728-Y739 HydrophobicContact CG-CD2 4.36Å; L728-Y739 HydrophobicContact CG-CE2 4.19Å; L728-Y739 VanDerWaalsContact O-CD2 3.22Å; L728-Y739 WeakPolarHBondContact O-CD2 3.33Å; L728-Y739 WeakPolarHBondContact O-CE2 3.34Å; L728-L742 HydrophobicContact CD1-CB 4.01Å; L728-L742 HydrophobicContact CD1-CD1 3.75Å; L728-I743 HydrophobicContact CD2-CD1 3.79Å; L728-I743 HydrophobicContact CG-CD1 4.39Å; L728-I792 HydrophobicContact CD1-CG2 4.1Å; L728-I792 HydrophobicContact CD2-CG2 3.74Å; L728-A796 HydrophobicContact CD1-CB 4.17Å
729	K	84	Confident	84.8	Confident	72 Å²	72	49.7 Å²	49.7	31%	0.313	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-68.6	-28.3	176.9	-174.4	166.1	-175.8	175.4	0	113.8	I727 L731 E732 S922	I727-K729 HydrophobicContact CD1-CB 4.25Å; I727-K729 PolarHBondContact O-N 3.41Å; K729-L731 PolarHBondContact O-N 2.86Å; K729-L731 VanDerWaalsContact O-N 3.15Å; K729-E732 VanDerWaalsContact CE-OE2 3.29Å; K729-E732 WeakPolarHBondContact CE-OE2 3.49Å; K729-E732 VanDerWaalsContact O-CB 3.3Å; K729-E732 WeakPolarHBondContact O-CB 3.28Å; K729-E732 PolarHBondContact O-N 3.01Å; K729-E732 VanDerWaalsContact O-N 3.13Å; K729-S922 PolarHBondContact NZ-O 3.3Å; K729-S922 VanDerWaalsContact NZ-O 3.09Å
730	D	85.3	Confident	84.8	Confident	17 Å²	17	53.5 Å²	53.5	9%	0.091	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-61	-26.8	176.6	-68.7	-35	0	0	0	111.6	P716 K719 I727 L728 E732 S733 F800	P716-D730 HydrophobicContact CB-CB 4.46Å; P716-D730 HydrophobicContact CG-CB 3.95Å; K719-D730 WeakPolarHBondContact CD-OD2 3.39Å; K719-D730 IonicContact NZ-OD1 3.44Å; K719-D730 PolarHBondContact NZ-OD1 3.21Å; K719-D730 IonicContact NZ-OD2 3.47Å; K719-D730 PolarHBondContact NZ-OD2 3.03Å; I727-D730 VanDerWaalsContact CG1-OD2 3.31Å; I727-D730 WeakPolarHBondContact CG1-OD2 3.3Å; I727-D730 PolarHBondContact N-OD2 3.5Å; I727-D730 VanDerWaalsContact O-CB 3.29Å; I727-D730 WeakPolarHBondContact O-CB 3.07Å; I727-D730 PolarHBondContact O-N 3.24Å; L728-D730 VanDerWaalsContact C-N 3.35Å; L728-D730 PolarHBondContact O-N 3.32Å; D730-E732 VanDerWaalsContact C-N 3.33Å; D730-E732 PolarHBondContact O-N 2.76Å; D730-S733 PolarHBondContact O-N 2.94Å; D730-S733 PolarHBondContact O-OG 3.16Å; D730-F800 HydrophobicContact CB-CE1 4.26Å; D730-F800 HydrophobicContact CB-CZ 3.74Å
731	L	85.7	Confident	85	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-71.3	-26.4	-179.1	-163.7	50.2	0	0	0	112.8	L728 K729 S733 I734 D735 F738 Y739 L742 A796 R799 F800	L728-L731 HydrophobicContact CD1-CD2 4.26Å; L728-L731 WeakPolarHBondContact O-CB 3.3Å; L728-L731 PolarHBondContact O-N 3.24Å; K729-L731 PolarHBondContact O-N 2.86Å; K729-L731 VanDerWaalsContact O-N 3.15Å; L731-S733 PolarHBondContact O-N 3.42Å; L731-I734 PolarHBondContact O-N 2.94Å; L731-D735 HydrophobicContact CD1-CB 4.02Å; L731-D735 CarbonylContact O-C 3.6Å; L731-D735 PolarHBondContact O-N 2.67Å; L731-F738 HydrophobicContact CD1-CD1 4.41Å; L731-F738 HydrophobicContact CD2-CD1 3.71Å; L731-F738 HydrophobicContact CD2-CE1 3.96Å; L731-F738 HydrophobicContact CG-CD1 4.27Å; L731-Y739 HydrophobicContact CB-CD2 4.27Å; L731-L742 HydrophobicContact CD2-CD1 3.96Å; L731-A796 HydrophobicContact CD2-CB 4.26Å; L731-R799 HydrophobicContact CD1-CB 4.39Å; L731-R799 HydrophobicContact CD1-CG 3.56Å; L731-F800 HydrophobicContact CB-CE1 4.44Å; L731-F800 HydrophobicContact CB-CZ 3.81Å; L731-F800 HydrophobicContact CD1-CE1 4.09Å; L731-F800 HydrophobicContact CD1-CZ 4.13Å; L731-F800 HydrophobicContact CG-CZ 4.47Å
732	E	83.3	Confident	85.3	Confident	14 Å²	14	52.1 Å²	52.1	7%	0.065	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-54.5	-35.9	172	-172.6	179.8	-165.3	0	0	111	K729 D730 Y739 H923 C925	K729-E732 VanDerWaalsContact CE-OE2 3.29Å; K729-E732 WeakPolarHBondContact CE-OE2 3.49Å; K729-E732 VanDerWaalsContact O-CB 3.3Å; K729-E732 WeakPolarHBondContact O-CB 3.28Å; K729-E732 PolarHBondContact O-N 3.01Å; K729-E732 VanDerWaalsContact O-N 3.13Å; D730-E732 VanDerWaalsContact C-N 3.33Å; D730-E732 PolarHBondContact O-N 2.76Å; E732-Y739 HydrophobicContact CB-CD1 3.66Å; E732-Y739 HydrophobicContact CB-CD2 4.13Å; E732-Y739 HydrophobicContact CB-CE1 3.72Å; E732-Y739 HydrophobicContact CB-CE2 4.18Å; E732-Y739 HydrophobicContact CB-CG 3.87Å; E732-Y739 HydrophobicContact CG-CD1 3.77Å; E732-Y739 HydrophobicContact CG-CE1 3.7Å; E732-Y739 HydrophobicContact CG-CG 4.46Å; E732-H923 IonicContact OE1-CE1 2.77Å; E732-H923 IonicContact OE1-CG 3.23Å; E732-H923 IonicContact OE1-ND1 3.76Å; E732-H923 PolarHBondContact OE1-ND1 3.03Å; E732-C925 PolarHBondContact O-SG 3.03Å
733	S	76.7	Confident	85.5	Confident	27 Å²	27	51.9 Å²	51.9	19%	0.189	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-81	-18.3	-176.8	75.4	0	0	0	0	115.1	C675 P716 D730 L731	C675-S733 PolarHBondContact SG-O 3.17Å; P716-S733 WeakPolarHBondContact CG-OG 3.49Å; D730-S733 PolarHBondContact O-N 2.94Å; D730-S733 PolarHBondContact O-OG 3.16Å; L731-S733 PolarHBondContact O-N 3.42Å
734	I	80.5	Confident	85.9	Confident	13 Å²	13	48.9 Å²	48.9	7%	0.067	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-50.2	179.8	-54.4	-172.7	0	0	0	110.5	A669 P716 L731 F800	A669-I734 HydrophobicContact CB-CG2 3.68Å; A669-I734 VanDerWaalsContact CB-O 3.24Å; A669-I734 WeakPolarHBondContact CB-O 3.41Å; P716-I734 HydrophobicContact CB-CD1 3.91Å; P716-I734 HydrophobicContact CG-CD1 3.92Å; P716-I734 HydrophobicContact CG-CG1 4.02Å; L731-I734 PolarHBondContact O-N 2.94Å; I734-F800 HydrophobicContact CD1-CD1 3.98Å; I734-F800 HydrophobicContact CD1-CE1 3.76Å
735	D	82.4	Confident	86.1	Confident	37 Å²	37	47.3 Å²	47.3	20%	0.198	24%	0.235	C	C	.	.			trans	-136.3	75.7	-165.4	-155.2	-40	0	0	0	109.9	L731 E737 F738 Y739 R799	L731-D735 HydrophobicContact CD1-CB 4.02Å; L731-D735 CarbonylContact O-C 3.6Å; L731-D735 PolarHBondContact O-N 2.67Å; D735-E737 PolarHBondContact O-N 3.07Å; D735-F738 HydrophobicContact CB-CB 4.06Å; D735-F738 VanDerWaalsContact CG-CB 3.45Å; D735-F738 PolarHBondContact O-N 3.11Å; D735-F738 WeakPolarHBondContact OD1-CB 3.35Å; D735-F738 PolarHBondContact OD1-N 2.91Å; D735-Y739 VanDerWaalsContact O-CB 3.31Å; D735-Y739 WeakPolarHBondContact O-CB 3.42Å; D735-Y739 PolarHBondContact O-N 2.89Å; D735-R799 IonicContact OD2-CZ 3.9Å; D735-R799 VanDerWaalsContact OD2-CZ 3.23Å; D735-R799 IonicContact OD2-NE 2.74Å; D735-R799 PolarHBondContact OD2-NE 3.43Å; D735-R799 IonicContact OD2-NH2 3.23Å; D735-R799 PolarHBondContact OD2-NH2 2.96Å
736	P	82.4	Confident	86.5	Confident	29 Å²	29	44.4 Å²	44.4	19%	0.188	22%	0.22	C	C	.	.	H	α-helix	trans	-60.6	-33.4	-173.5	-22.4	32.1	0	0	0	112.8	N740 C925	P736-N740 VanDerWaalsContact O-CB 3.3Å; P736-N740 WeakPolarHBondContact O-CB 3.36Å; P736-N740 VanDerWaalsContact O-CG 3.28Å; P736-N740 PolarHBondContact O-N 3.47Å; P736-N740 PolarHBondContact O-ND2 3.49Å; P736-C925 HydrophobicContact CG-CB 4.46Å
737	E	83.9	Confident	86.8	Confident	152 Å²	152	47.5 Å²	47.5	71%	0.71	24%	0.237	S	C	*	.	H	α-helix	trans	-72	-43.4	-179.4	-63.6	-171.7	-176.9	0	0	111.2	D735 S741	D735-E737 PolarHBondContact O-N 3.07Å; E737-S741 PolarHBondContact O-N 3.22Å; E737-S741 VanDerWaalsContact O-N 3.1Å; E737-S741 PolarHBondContact O-OG 2.75Å
738	F	87.6	Confident	87	Confident	39 Å²	39	46.9 Å²	46.9	17%	0.171	23%	0.234	C	C	.	.	H	α-helix	trans	-69.9	-40.1	175.3	-170.9	-99.2	0	0	0	112.2	L731 D735 S741 L742 M795 R799	L731-F738 HydrophobicContact CD1-CD1 4.41Å; L731-F738 HydrophobicContact CD2-CD1 3.71Å; L731-F738 HydrophobicContact CD2-CE1 3.96Å; L731-F738 HydrophobicContact CG-CD1 4.27Å; D735-F738 HydrophobicContact CB-CB 4.06Å; D735-F738 VanDerWaalsContact CG-CB 3.45Å; D735-F738 PolarHBondContact O-N 3.11Å; D735-F738 WeakPolarHBondContact OD1-CB 3.35Å; D735-F738 PolarHBondContact OD1-N 2.91Å; F738-S741 WeakPolarHBondContact O-CB 3.34Å; F738-S741 PolarHBondContact O-N 3.45Å; F738-L742 HydrophobicContact CD1-CD1 4.15Å; F738-L742 HydrophobicContact CD1-CG 4.48Å; F738-L742 HydrophobicContact CE1-CD1 3.73Å; F738-L742 HydrophobicContact CE1-CG 4.27Å; F738-L742 HydrophobicContact CZ-CD1 4.39Å; F738-L742 PolarHBondContact O-N 3Å; F738-M795 HydrophobicContact CE2-CE 3.68Å; F738-M795 HydrophobicContact CZ-CB 4.27Å; F738-M795 HydrophobicContact CZ-CE 3.62Å; F738-M795 HydrophobicContact CZ-SD 4.3Å; F738-R799 HydrophobicContact CD1-CB 4.22Å; F738-R799 HydrophobicContact CD1-CG 3.82Å; F738-R799 HydrophobicContact CE1-CB 3.56Å; F738-R799 HydrophobicContact CE1-CG 3.69Å; F738-R799 HydrophobicContact CZ-CB 4.12Å; F738-R799 HydrophobicContact CZ-CG 4.43Å
739	Y	88.6	Confident	87.1	Confident	34 Å²	34	47.7 Å²	47.7	13%	0.133	24%	0.238	C	C	.	.	H	α-helix	trans	-57.5	-51.8	172.3	171.2	-105.3	0	0	0	112	L728 L731 E732 D735 S741 L742 I743	L728-Y739 HydrophobicContact CD1-CD2 4.36Å; L728-Y739 HydrophobicContact CG-CD2 4.36Å; L728-Y739 HydrophobicContact CG-CE2 4.19Å; L728-Y739 VanDerWaalsContact O-CD2 3.22Å; L728-Y739 WeakPolarHBondContact O-CD2 3.33Å; L728-Y739 WeakPolarHBondContact O-CE2 3.34Å; L731-Y739 HydrophobicContact CB-CD2 4.27Å; E732-Y739 HydrophobicContact CB-CD1 3.66Å; E732-Y739 HydrophobicContact CB-CD2 4.13Å; E732-Y739 HydrophobicContact CB-CE1 3.72Å; E732-Y739 HydrophobicContact CB-CE2 4.18Å; E732-Y739 HydrophobicContact CB-CG 3.87Å; E732-Y739 HydrophobicContact CG-CD1 3.77Å; E732-Y739 HydrophobicContact CG-CE1 3.7Å; E732-Y739 HydrophobicContact CG-CG 4.46Å; D735-Y739 VanDerWaalsContact O-CB 3.31Å; D735-Y739 WeakPolarHBondContact O-CB 3.42Å; D735-Y739 PolarHBondContact O-N 2.89Å; Y739-S741 PolarHBondContact O-N 3.01Å; Y739-L742 PolarHBondContact O-N 3.41Å; Y739-I743 HydrophobicContact CD1-CG1 4.35Å; Y739-I743 HydrophobicContact CD2-CG1 4.04Å; Y739-I743 HydrophobicContact CE1-CG1 3.95Å; Y739-I743 HydrophobicContact CE2-CD1 3.8Å; Y739-I743 HydrophobicContact CE2-CG1 3.6Å; Y739-I743 HydrophobicContact CG-CG1 4.41Å; Y739-I743 WeakPolarHBondContact O-CG1 3.29Å; Y739-I743 PolarHBondContact O-N 3.1Å
740	N	88.9	Confident	87.4	Confident	96 Å²	96	44.3 Å²	44.3	51%	0.513	22%	0.224	S	C	.	.	H	α-helix	trans	-60.1	-31.4	177.2	-79.4	-57.1	0	0	0	112.1	P736 W744	P736-N740 VanDerWaalsContact O-CB 3.3Å; P736-N740 WeakPolarHBondContact O-CB 3.36Å; P736-N740 VanDerWaalsContact O-CG 3.28Å; P736-N740 PolarHBondContact O-N 3.47Å; P736-N740 PolarHBondContact O-ND2 3.49Å; N740-W744 WeakPolarHBondContact O-CB 3.17Å; N740-W744 PolarHBondContact O-N 3.47Å
741	S	90.9	Very high	87.4	Confident	66 Å²	66	48.8 Å²	48.8	46%	0.462	24%	0.244	S	C	.	.	H	α-helix	trans	-69.4	-44.1	176.5	-57.7	0	0	0	0	112.1	E737 F738 Y739 W744 I745	E737-S741 PolarHBondContact O-N 3.22Å; E737-S741 VanDerWaalsContact O-N 3.1Å; E737-S741 PolarHBondContact O-OG 2.75Å; F738-S741 WeakPolarHBondContact O-CB 3.34Å; F738-S741 PolarHBondContact O-N 3.45Å; Y739-S741 PolarHBondContact O-N 3.01Å; S741-W744 PolarHBondContact O-N 3.24Å; S741-I745 WeakPolarHBondContact O-CG1 3.26Å; S741-I745 PolarHBondContact O-N 2.92Å; S741-I745 VanDerWaalsContact O-N 3.09Å
742	L	92.1	Very high	87.3	Confident	3 Å²	3	57 Å²	57	2%	0.016	28%	0.282	C	S	.	.	H	α-helix	trans	-67.6	-40	175.5	-66.4	-176.1	0	0	0	112.5	L728 L731 F738 Y739 W744 I745 R746 I792 M795 A796	L728-L742 HydrophobicContact CD1-CB 4.01Å; L728-L742 HydrophobicContact CD1-CD1 3.75Å; L731-L742 HydrophobicContact CD2-CD1 3.96Å; F738-L742 HydrophobicContact CD1-CD1 4.15Å; F738-L742 HydrophobicContact CD1-CG 4.48Å; F738-L742 HydrophobicContact CE1-CD1 3.73Å; F738-L742 HydrophobicContact CE1-CG 4.27Å; F738-L742 HydrophobicContact CZ-CD1 4.39Å; F738-L742 PolarHBondContact O-N 3Å; Y739-L742 PolarHBondContact O-N 3.41Å; L742-W744 VanDerWaalsContact C-N 3.31Å; L742-W744 PolarHBondContact O-N 2.94Å; L742-I745 HydrophobicContact CD2-CD1 4.45Å; L742-I745 PolarHBondContact O-N 3.43Å; L742-R746 PolarHBondContact O-N 3.07Å; L742-I792 HydrophobicContact CB-CG2 4.37Å; L742-I792 HydrophobicContact CD2-CG1 4.49Å; L742-M795 HydrophobicContact CD1-CB 4.12Å; L742-M795 HydrophobicContact CD2-CB 3.89Å; L742-M795 HydrophobicContact CD2-CG 4.4Å; L742-A796 HydrophobicContact CD1-CB 4.4Å
743	I	91.1	Very high	87.2	Confident	25 Å²	25	58.9 Å²	58.9	13%	0.128	30%	0.297	C	S	.	.	H	α-helix	trans	-62.8	-38.6	173.4	-66.6	-68.5	0	0	0	111	L728 Y739 R746 D747	L728-I743 HydrophobicContact CD2-CD1 3.79Å; L728-I743 HydrophobicContact CG-CD1 4.39Å; Y739-I743 HydrophobicContact CD1-CG1 4.35Å; Y739-I743 HydrophobicContact CD2-CG1 4.04Å; Y739-I743 HydrophobicContact CE1-CG1 3.95Å; Y739-I743 HydrophobicContact CE2-CD1 3.8Å; Y739-I743 HydrophobicContact CE2-CG1 3.6Å; Y739-I743 HydrophobicContact CG-CG1 4.41Å; Y739-I743 WeakPolarHBondContact O-CG1 3.29Å; Y739-I743 PolarHBondContact O-N 3.1Å; I743-R746 WeakPolarHBondContact O-CB 3.31Å; I743-R746 PolarHBondContact O-N 3.2Å; I743-D747 WeakPolarHBondContact CG2-OD2 3.24Å; I743-D747 WeakPolarHBondContact O-CB 3.48Å; I743-D747 VanDerWaalsContact O-CG 3.3Å; I743-D747 PolarHBondContact O-N 2.92Å
744	W	90.4	Very high	87.4	Confident	63 Å²	63	60.8 Å²	60.8	24%	0.239	32%	0.32	C	S	.	.	H	α-helix	trans	-63.3	-43.4	175	-173.3	88.2	0	0	0	112.1	F36 N740 S741 L742 R746 D747 N748 C753 L755	F36-W744 HydrophobicContact CD1-CZ2 4.33Å; F36-W744 AromaticContact CE1-CE2 3.91Å; F36-W744 AromaticContact CE1-CH2 3.72Å; F36-W744 HydrophobicContact CE1-CH2 3.72Å; F36-W744 AromaticContact CE1-CZ2 3.35Å; F36-W744 HydrophobicContact CE1-CZ2 3.35Å; F36-W744 HydrophobicContact CZ-CH2 4.1Å; F36-W744 AromaticContact CZ-CZ2 3.75Å; F36-W744 HydrophobicContact CZ-CZ2 3.75Å; N740-W744 WeakPolarHBondContact O-CB 3.17Å; N740-W744 PolarHBondContact O-N 3.47Å; S741-W744 PolarHBondContact O-N 3.24Å; L742-W744 VanDerWaalsContact C-N 3.31Å; L742-W744 PolarHBondContact O-N 2.94Å; W744-R746 VanDerWaalsContact C-N 3.31Å; W744-R746 PolarHBondContact O-N 2.89Å; W744-D747 PolarHBondContact O-N 3.1Å; W744-N748 VanDerWaalsContact CD1-ND2 3.35Å; W744-N748 HydrophobicContact CD2-CB 4.31Å; W744-N748 VanDerWaalsContact CE2-CG 3.47Å; W744-N748 HydrophobicContact CH2-CB 3.94Å; W744-N748 HydrophobicContact CZ2-CB 3.65Å; W744-N748 HydrophobicContact CZ3-CB 4.39Å; W744-N748 PolarHBondContact NE1-ND2 2.81Å; W744-N748 PolarHBondContact NE1-OD1 3.04Å; W744-N748 WeakPolarHBondContact O-CB 3.2Å; W744-N748 PolarHBondContact O-N 2.75Å; W744-N748 PolarHBondContact O-ND2 2.7Å; W744-C753 HydrophobicContact CH2-CB 4.17Å; W744-L755 HydrophobicContact CZ3-CD2 4.02Å
745	I	91.8	Very high	87.5	Confident	14 Å²	14	62 Å²	62	7%	0.072	33%	0.327	C	S	.	.	H	α-helix	trans	-60.6	-41.1	176.1	-69.8	165.9	0	0	0	111.1	S741 L742 I750 M757 K788 Y791 I792	S741-I745 WeakPolarHBondContact O-CG1 3.26Å; S741-I745 PolarHBondContact O-N 2.92Å; S741-I745 VanDerWaalsContact O-N 3.09Å; L742-I745 HydrophobicContact CD2-CD1 4.45Å; L742-I745 PolarHBondContact O-N 3.43Å; I745-I750 HydrophobicContact CG2-CG2 4.14Å; I745-M757 HydrophobicContact CD1-CE 3.95Å; I745-M757 HydrophobicContact CD1-SD 3.75Å; I745-M757 HydrophobicContact CG1-CE 4.14Å; I745-M757 HydrophobicContact CG1-SD 4.38Å; I745-M757 HydrophobicContact CG2-CE 4.07Å; I745-K788 HydrophobicContact CG2-CB 4.28Å; I745-K788 WeakPolarHBondContact O-CD 3.48Å; I745-K788 PolarHBondContact O-NZ 2.96Å; I745-Y791 HydrophobicContact CD1-CE1 4.11Å; I745-I792 HydrophobicContact CG2-CD1 4.12Å; I745-I792 HydrophobicContact CG2-CG1 4.21Å
746	R	92.4	Very high	87.8	Confident	96 Å²	96	67.5 Å²	67.5	36%	0.362	35%	0.351	S	S	.	.	H	α-helix	trans	-60.7	-52.2	175.9	-160.2	-167.5	59.8	-176.3	-5.3	111.7	L742 I743 W744 N748 K788 E789 I792	L742-R746 PolarHBondContact O-N 3.07Å; I743-R746 WeakPolarHBondContact O-CB 3.31Å; I743-R746 PolarHBondContact O-N 3.2Å; W744-R746 VanDerWaalsContact C-N 3.31Å; W744-R746 PolarHBondContact O-N 2.89Å; R746-N748 PolarHBondContact O-N 2.85Å; R746-K788 WeakPolarHBondContact O-CE 3.43Å; R746-K788 PolarHBondContact O-NZ 3.35Å; R746-K788 VanDerWaalsContact O-NZ 3.15Å; R746-E789 WeakPolarHBondContact CG-OE1 3.41Å; R746-I792 HydrophobicContact CB-CD1 3.67Å; R746-I792 HydrophobicContact CG-CD1 4Å
747	D	91.8	Very high	88.3	Confident	96 Å²	96	67.1 Å²	67.1	51%	0.513	35%	0.348	S	S	.	.	H	α-helix	trans	-86.9	-1.3	-166	-64.1	-7.8	0	0	0	114.4	I743 W744	I743-D747 WeakPolarHBondContact CG2-OD2 3.24Å; I743-D747 WeakPolarHBondContact O-CB 3.48Å; I743-D747 VanDerWaalsContact O-CG 3.3Å; I743-D747 PolarHBondContact O-N 2.92Å; W744-D747 PolarHBondContact O-N 3.1Å
748	N	90.4	Very high	88.8	Confident	54 Å²	54	64 Å²	64	29%	0.289	33%	0.33	S	S	.	.	S	Bend	trans	-129.8	153.8	-178	-62.9	-105.5	0	0	0	110.7	W744 R746 I750 K788	W744-N748 VanDerWaalsContact CD1-ND2 3.35Å; W744-N748 HydrophobicContact CD2-CB 4.31Å; W744-N748 VanDerWaalsContact CE2-CG 3.47Å; W744-N748 HydrophobicContact CH2-CB 3.94Å; W744-N748 HydrophobicContact CZ2-CB 3.65Å; W744-N748 HydrophobicContact CZ3-CB 4.39Å; W744-N748 PolarHBondContact NE1-ND2 2.81Å; W744-N748 PolarHBondContact NE1-OD1 3.04Å; W744-N748 WeakPolarHBondContact O-CB 3.2Å; W744-N748 PolarHBondContact O-N 2.75Å; W744-N748 PolarHBondContact O-ND2 2.7Å; R746-N748 PolarHBondContact O-N 2.85Å; N748-I750 PolarHBondContact O-N 2.86Å; N748-K788 PolarHBondContact O-NZ 2.7Å
749	N	88.8	Confident	89.2	Confident	54 Å²	54	62.1 Å²	62.1	29%	0.289	32%	0.322	S	S	.	.			trans	-77.6	117	172.2	-175.3	-52.3	0	0	0	110	E751 E752 C753 E785	N749-E751 WeakPolarHBondContact OD1-CB 3.29Å; N749-E751 PolarHBondContact OD1-N 2.78Å; N749-E752 HydrophobicContact CB-CB 4.27Å; N749-E752 HydrophobicContact CB-CG 4.28Å; N749-E752 PolarHBondContact OD1-N 3.19Å; N749-C753 PolarHBondContact O-SG 3.43Å; N749-E785 WeakPolarHBondContact CA-OE1 3.26Å
750	I	89.7	Confident	89.4	Confident	1 Å²	1	61.9 Å²	61.9	1%	0.005	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-28	-175.8	69	-175.7	0	0	0	113.1	I745 N748 C753 G754 L755 M757 V783 E785 K788	I745-I750 HydrophobicContact CG2-CG2 4.14Å; N748-I750 PolarHBondContact O-N 2.86Å; I750-C753 PolarHBondContact O-N 3.26Å; I750-G754 PolarHBondContact O-N 3.16Å; I750-L755 HydrophobicContact CB-CB 4.34Å; I750-L755 PolarHBondContact O-N 3.28Å; I750-M757 HydrophobicContact CD1-CE 3.99Å; I750-M757 HydrophobicContact CG2-CE 4.35Å; I750-V783 HydrophobicContact CD1-CB 4.28Å; I750-V783 HydrophobicContact CD1-CG1 3.78Å; I750-E785 WeakPolarHBondContact CG1-OE1 3.14Å; I750-E785 PolarHBondContact N-OE1 2.9Å; I750-K788 HydrophobicContact CD1-CB 4.41Å
751	E	86.5	Confident	89.5	Confident	112 Å²	112	58.2 Å²	58.2	52%	0.523	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-45.1	-178.5	-64.5	171.9	-156.3	0	0	111	N749 C753 G754 T784 E785	N749-E751 WeakPolarHBondContact OD1-CB 3.29Å; N749-E751 PolarHBondContact OD1-N 2.78Å; E751-C753 PolarHBondContact O-N 3.03Å; E751-G754 PolarHBondContact O-N 3.01Å; E751-T784 WeakPolarHBondContact OE1-CB 3.36Å; E751-E785 HydrophobicContact CG-CG 4.26Å; E751-E785 PolarHBondContact OE1-N 3.36Å
752	E	83.1	Confident	89.3	Confident	171 Å²	171	60 Å²	60	80%	0.799	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-30.4	170.8	-73.1	-171.2	176.9	0	0	112.5	N749 G754	N749-E752 HydrophobicContact CB-CB 4.27Å; N749-E752 HydrophobicContact CB-CG 4.28Å; N749-E752 PolarHBondContact OD1-N 3.19Å; E752-G754 VanDerWaalsContact C-N 3.32Å
753	C	81.3	Confident	88.8	Confident	55 Å²	55	60.9 Å²	60.9	37%	0.372	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-11	177	-69.1	0	0	0	0	113.7	W744 N749 I750 E751 L755	W744-C753 HydrophobicContact CH2-CB 4.17Å; N749-C753 PolarHBondContact O-SG 3.43Å; I750-C753 PolarHBondContact O-N 3.26Å; E751-C753 PolarHBondContact O-N 3.03Å; C753-L755 VanDerWaalsContact C-N 3.33Å
754	G	80.6	Confident	88.2	Confident	66 Å²	66	66 Å²	66	68%	0.68	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	39.2	-173.2	0	0	0	0	0	112.8	I750 E751 E752 E756	I750-G754 PolarHBondContact O-N 3.16Å; E751-G754 PolarHBondContact O-N 3.01Å; E752-G754 VanDerWaalsContact C-N 3.32Å; G754-E756 PolarHBondContact O-N 2.97Å
755	L	82.8	Confident	87.4	Confident	40 Å²	40	65.4 Å²	65.4	21%	0.209	34%	0.339	C	S	.	.			trans	-92.3	94.2	-176.7	-146.8	82.6	0	0	0	111	L88 W744 I750 C753 M757	L88-L755 HydrophobicContact CD1-CD1 4.45Å; L88-L755 HydrophobicContact CD1-CD2 4.43Å; W744-L755 HydrophobicContact CZ3-CD2 4.02Å; I750-L755 HydrophobicContact CB-CB 4.34Å; I750-L755 PolarHBondContact O-N 3.28Å; C753-L755 VanDerWaalsContact C-N 3.33Å; L755-M757 HydrophobicContact CD2-CE 4.13Å; L755-M757 HydrophobicContact CD2-CG 4.26Å; L755-M757 HydrophobicContact CD2-SD 3.79Å; L755-M757 HydrophobicContact CG-CG 4.43Å; L755-M757 PolarHBondContact O-N 2.89Å
756	E	88.8	Confident	86.4	Confident	151 Å²	151	69.6 Å²	69.6	71%	0.706	36%	0.361	S	S	*	.			trans	-74.7	115.1	177.3	-167.6	167.8	-142.8	0	0	110.4	G754 Y758 L782	G754-E756 PolarHBondContact O-N 2.97Å; E756-Y758 HydrophobicContact CG-CE2 3.96Å; E756-L782 HydrophobicContact CG-CD1 4.06Å
757	M	92.6	Very high	85.3	Confident	22 Å²	22	67.8 Å²	67.8	11%	0.108	37%	0.372	C	S	.	.			trans	-140.6	152.5	-179.6	-62.6	-172	-60.8	0	0	110	I745 I750 L755 L782 V783 Y791	I745-M757 HydrophobicContact CD1-CE 3.95Å; I745-M757 HydrophobicContact CD1-SD 3.75Å; I745-M757 HydrophobicContact CG1-CE 4.14Å; I745-M757 HydrophobicContact CG1-SD 4.38Å; I745-M757 HydrophobicContact CG2-CE 4.07Å; I750-M757 HydrophobicContact CD1-CE 3.99Å; I750-M757 HydrophobicContact CG2-CE 4.35Å; L755-M757 HydrophobicContact CD2-CE 4.13Å; L755-M757 HydrophobicContact CD2-CG 4.26Å; L755-M757 HydrophobicContact CD2-SD 3.79Å; L755-M757 HydrophobicContact CG-CG 4.43Å; L755-M757 PolarHBondContact O-N 2.89Å; M757-L782 WeakPolarHBondContact O-CA 3.25Å; M757-L782 WeakPolarHBondContact O-CD1 3.44Å; M757-V783 HydrophobicContact CB-CB 4.06Å; M757-V783 HydrophobicContact CB-CG2 3.88Å; M757-V783 HydrophobicContact CE-CB 4.2Å; M757-V783 HydrophobicContact CE-CG1 4.1Å; M757-V783 PolarHBondContact O-N 3.49Å; M757-Y791 HydrophobicContact CE-CE1 4.31Å; M757-Y791 HydrophobicContact SD-CE1 4.24Å
758	Y	94.8	Very high	84.4	Confident	86 Å²	86	70.5 Å²	70.5	34%	0.337	38%	0.38	S	S	.	.	B	Isolated β-bridge	trans	-127.8	163.6	179.7	-67.1	-88.7	0	0	0	111	E756 S760 T779 I781 L782 Y791	E756-Y758 HydrophobicContact CG-CE2 3.96Å; Y758-S760 PolarHBondContact O-N 3.31Å; Y758-T779 VanDerWaalsContact CD1-O 3.3Å; Y758-T779 WeakPolarHBondContact CD1-O 3.47Å; Y758-I781 CarbonylContact C-O 3.58Å; Y758-I781 VanDerWaalsContact CA-O 3.28Å; Y758-I781 WeakPolarHBondContact CA-O 3.49Å; Y758-L782 HydrophobicContact CD1-CD1 4.48Å; Y758-L782 HydrophobicContact CE1-CB 4.24Å; Y758-L782 HydrophobicContact CE1-CD1 3.96Å; Y758-L782 HydrophobicContact CE2-CD1 4.29Å; Y758-Y791 VanDerWaalsContact O-CE2 3.27Å; Y758-Y791 WeakPolarHBondContact O-CE2 3.21Å
759	F	96.4	Very high	84	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	39%	0.392	C	S	.	.	S	Bend	trans	-75.3	45.7	174.9	-80.2	-105.3	0	0	0	112.7	L774 K775 G778 I781 V783 N787 E790 Y791 L794	F759-L774 HydrophobicContact CB-CB 4.44Å; F759-L774 WeakPolarHBondContact O-CB 3.17Å; F759-L774 PolarHBondContact O-N 2.88Å; F759-K775 HydrophobicContact CB-CD 4.44Å; F759-K775 HydrophobicContact CB-CG 4.15Å; F759-K775 HydrophobicContact CD1-CD 3.51Å; F759-K775 VanDerWaalsContact CD1-CE 3.46Å; F759-K775 HydrophobicContact CD1-CG 4.01Å; F759-K775 HydrophobicContact CE1-CD 3.86Å; F759-K775 HydrophobicContact CG-CD 4.05Å; F759-K775 HydrophobicContact CG-CG 4.3Å; F759-K775 VanDerWaalsContact CZ-NZ 3.25Å; F759-G778 CarbonylContact C-O 3.52Å; F759-G778 WeakPolarHBondContact CA-O 3.39Å; F759-G778 WeakPolarHBondContact CB-O 3.25Å; F759-G778 PolarHBondContact N-O 3.3Å; F759-G778 CarbonylContact O-C 3.59Å; F759-G778 VanDerWaalsContact O-CA 3.29Å; F759-G778 WeakPolarHBondContact O-CA 3.17Å; F759-I781 HydrophobicContact CB-CB 4.47Å; F759-I781 HydrophobicContact CD2-CB 4.16Å; F759-I781 HydrophobicContact CD2-CG2 3.68Å; F759-I781 WeakPolarHBondContact CD2-O 3.41Å; F759-I781 HydrophobicContact CE2-CG2 4.03Å; F759-I781 HydrophobicContact CG-CG2 4.44Å; F759-I781 PolarHBondContact N-O 2.83Å; F759-V783 HydrophobicContact CD2-CG2 3.91Å; F759-V783 HydrophobicContact CE2-CB 4.49Å; F759-V783 HydrophobicContact CE2-CG2 3.94Å; F759-N787 HydrophobicContact CE2-CB 4.42Å; F759-N787 WeakPolarHBondContact CE2-OD1 3.47Å; F759-N787 HydrophobicContact CZ-CB 4.18Å; F759-E790 HydrophobicContact CE1-CB 4.11Å; F759-E790 HydrophobicContact CE1-CG 3.98Å; F759-E790 HydrophobicContact CZ-CB 4.25Å; F759-E790 HydrophobicContact CZ-CG 4.49Å; F759-Y791 HydrophobicContact CD1-CD2 4.26Å; F759-Y791 HydrophobicContact CG-CD2 4.32Å; F759-L794 HydrophobicContact CD1-CD1 3.89Å; F759-L794 HydrophobicContact CE1-CD1 3.99Å
760	S	93.1	Very high	83.7	Confident	29 Å²	29	72.9 Å²	72.9	20%	0.203	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	150.6	179.2	58.4	0	0	0	0	110.7	Y758 H772 T779	Y758-S760 PolarHBondContact O-N 3.31Å; S760-H772 WeakPolarHBondContact CA-O 3.14Å; S760-T779 VanDerWaalsContact CB-CG2 3.43Å
761	V	91.2	Very high	83.6	Confident	19 Å²	19	76.3 Å²	76.3	12%	0.115	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	136.4	-177.9	61.4	0	0	0	0	111.8	H772 L774 M795 W798	V761-H772 HydrophobicContact CG1-CB 4.47Å; V761-H772 PolarHBondContact N-O 2.79Å; V761-H772 PolarHBondContact O-N 3.42Å; V761-L774 HydrophobicContact CG1-CD2 3.75Å; V761-L774 HydrophobicContact CG1-CG 4.36Å; V761-M795 HydrophobicContact CB-CE 4.49Å; V761-M795 HydrophobicContact CB-SD 4.05Å; V761-M795 HydrophobicContact CG1-SD 4.31Å; V761-M795 HydrophobicContact CG2-CE 4.09Å; V761-M795 HydrophobicContact CG2-SD 4.16Å; V761-W798 HydrophobicContact CB-CH2 4.19Å; V761-W798 HydrophobicContact CB-CZ2 4.34Å; V761-W798 HydrophobicContact CB-CZ3 4.41Å; V761-W798 HydrophobicContact CG1-CD2 3.68Å; V761-W798 HydrophobicContact CG1-CE3 3.96Å; V761-W798 HydrophobicContact CG1-CG 4.31Å; V761-W798 HydrophobicContact CG1-CH2 3.7Å; V761-W798 HydrophobicContact CG1-CZ2 3.43Å; V761-W798 VanDerWaalsContact CG1-CZ2 3.43Å; V761-W798 HydrophobicContact CG1-CZ3 3.97Å; V761-W798 HydrophobicContact CG2-CE3 4.34Å; V761-W798 HydrophobicContact CG2-CH2 3.39Å; V761-W798 HydrophobicContact CG2-CZ2 4Å; V761-W798 HydrophobicContact CG2-CZ3 3.61Å
762	D	86.6	Confident	83.7	Confident	104 Å²	104	75.6 Å²	75.6	56%	0.556	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	135.9	174.6	-75.8	-13.3	0	0	0	111.1	I769 S771	D762-I769 HydrophobicContact CB-CG2 4.14Å; D762-S771 VanDerWaalsContact OD1-CA 3.3Å; D762-S771 WeakPolarHBondContact OD1-CA 3.47Å; D762-S771 WeakPolarHBondContact OD1-CB 3.11Å; D762-S771 PolarHBondContact OD1-OG 3.3Å
763	M	81.4	Confident	84.2	Confident	21 Å²	21	70.8 Å²	70.8	10%	0.103	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	130.1	174.1	-162.6	175.3	-179.1	0	0	110.1	P680 I765 I769 S770 W798 R802	P680-M763 HydrophobicContact CB-CE 3.99Å; P680-M763 HydrophobicContact CG-CE 4.33Å; M763-I765 HydrophobicContact CE-CD1 3.73Å; M763-I765 HydrophobicContact CE-CG1 3.89Å; M763-I765 HydrophobicContact CG-CG1 4.14Å; M763-I765 HydrophobicContact SD-CD1 3.91Å; M763-I765 HydrophobicContact SD-CG1 4.17Å; M763-I769 CarbonylContact O-C 3.53Å; M763-I769 WeakPolarHBondContact O-CA 3.37Å; M763-S770 PolarHBondContact N-O 3.03Å; M763-S770 PolarHBondContact O-N 2.84Å; M763-S770 PolarHBondContact O-OG 3.34Å; M763-W798 HydrophobicContact CB-CZ2 4.03Å; M763-W798 HydrophobicContact CG-CZ2 4.25Å; M763-W798 HydrophobicContact SD-CZ2 4.2Å; M763-R802 HydrophobicContact CE-CB 3.89Å; M763-R802 HydrophobicContact CE-CG 3.68Å; M763-R802 HydrophobicContact SD-CB 3.85Å; M763-R802 HydrophobicContact SD-CG 4.17Å
764	E	78.6	Confident	84.8	Confident	133 Å²	133	69.1 Å²	69.1	62%	0.621	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.6	121.3	169.3	-164.7	-176.1	142.4	0	0	110.1	G767 K768 I769	E764-G767 WeakPolarHBondContact OE1-CA 3.44Å; E764-K768 WeakPolarHBondContact CA-O 3Å; E764-I769 HydrophobicContact CB-CG1 4.33Å; E764-I769 HydrophobicContact CG-CG1 4.1Å
765	I	73.2	Confident	85.4	Confident	50 Å²	50	67.9 Å²	67.9	26%	0.256	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	120.4	170.8	-59	-179	0	0	0	107.6	A681 M763 G767 K768	A681-I765 HydrophobicContact CB-CG2 4.01Å; M763-I765 HydrophobicContact CE-CD1 3.73Å; M763-I765 HydrophobicContact CE-CG1 3.89Å; M763-I765 HydrophobicContact CG-CG1 4.14Å; M763-I765 HydrophobicContact SD-CD1 3.91Å; M763-I765 HydrophobicContact SD-CG1 4.17Å; I765-G767 VanDerWaalsContact C-N 3.28Å; I765-G767 PolarHBondContact O-N 3.5Å; I765-K768 PolarHBondContact N-O 3.31Å; I765-K768 WeakPolarHBondContact O-CB 3.32Å; I765-K768 PolarHBondContact O-N 3.04Å
766	L	70.3	Confident	86	Confident	102 Å²	102	71.7 Å²	71.7	53%	0.534	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	39	177.1	-60.4	168.2	0	0	0	113.8	A681 I684 K768	A681-L766 HydrophobicContact CB-CD1 4.28Å; A681-L766 HydrophobicContact CB-CD2 3.94Å; A681-L766 HydrophobicContact CB-CG 3.88Å; I684-L766 HydrophobicContact CB-CD1 4.19Å; I684-L766 HydrophobicContact CD1-CD1 4.05Å; I684-L766 HydrophobicContact CD1-CD2 3.82Å; I684-L766 HydrophobicContact CG1-CD1 4.48Å; L766-K768 VanDerWaalsContact C-N 3.26Å; L766-K768 PolarHBondContact O-N 3.11Å
767	G	69.7	Low	86.2	Confident	58 Å²	58	69.2 Å²	69.2	60%	0.598	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	-0.6	-177.6	0	0	0	0	0	115	E764 I765	E764-G767 WeakPolarHBondContact OE1-CA 3.44Å; I765-G767 VanDerWaalsContact C-N 3.28Å; I765-G767 PolarHBondContact O-N 3.5Å
768	K	73.5	Confident	86.2	Confident	153 Å²	153	68.1 Å²	68.1	67%	0.665	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.4	114.1	172.5	-175.7	-167.7	173.3	-165.3	0	109.5	E764 I765 L766	E764-K768 WeakPolarHBondContact CA-O 3Å; I765-K768 PolarHBondContact N-O 3.31Å; I765-K768 WeakPolarHBondContact O-CB 3.32Å; I765-K768 PolarHBondContact O-N 3.04Å; L766-K768 VanDerWaalsContact C-N 3.26Å; L766-K768 PolarHBondContact O-N 3.11Å
769	I	81.4	Confident	86.1	Confident	108 Å²	108	66.9 Å²	66.9	55%	0.554	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	134.8	167.7	-56	173.5	0	0	0	109.2	D762 M763 E764	D762-I769 HydrophobicContact CB-CG2 4.14Å; M763-I769 CarbonylContact O-C 3.53Å; M763-I769 WeakPolarHBondContact O-CA 3.37Å; E764-I769 HydrophobicContact CB-CG1 4.33Å; E764-I769 HydrophobicContact CG-CG1 4.1Å
770	S	81.1	Confident	86	Confident	49 Å²	49	72.4 Å²	72.4	34%	0.343	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	126.1	170.1	51.5	0	0	0	0	110.2	M763	M763-S770 PolarHBondContact N-O 3.03Å; M763-S770 PolarHBondContact O-N 2.84Å; M763-S770 PolarHBondContact O-OG 3.34Å
771	S	87.8	Confident	86.2	Confident	74 Å²	74	73.5 Å²	73.5	52%	0.517	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	147.8	173	-145	0	0	0	0	111.3	D762	D762-S771 VanDerWaalsContact OD1-CA 3.3Å; D762-S771 WeakPolarHBondContact OD1-CA 3.47Å; D762-S771 WeakPolarHBondContact OD1-CB 3.11Å; D762-S771 PolarHBondContact OD1-OG 3.3Å
772	H	88.8	Confident	86.3	Confident	97 Å²	97	76.2 Å²	76.2	45%	0.449	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	120.1	-178.6	-177.4	-71.7	0	0	0	110.5	S760 V761 L774 W798	S760-H772 WeakPolarHBondContact CA-O 3.14Å; V761-H772 HydrophobicContact CG1-CB 4.47Å; V761-H772 PolarHBondContact N-O 2.79Å; V761-H772 PolarHBondContact O-N 3.42Å; H772-L774 PolarHBondContact O-N 3.31Å; H772-W798 AromaticContact CG-NE1 3.88Å; H772-W798 AromaticContact ND1-CD1 3.88Å; H772-W798 AromaticContact ND1-NE1 3.93Å
773	D	93.6	Very high	86.8	Confident	69 Å²	69	71.4 Å²	71.4	37%	0.369	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	123.6	171.2	-69.5	-49.5	0	0	0	110.4	K775 G778 T779	D773-K775 VanDerWaalsContact C-N 3.27Å; D773-K775 WeakPolarHBondContact CB-O 3.46Å; D773-K775 PolarHBondContact O-N 3.44Å; D773-G778 PolarHBondContact OD1-N 2.76Å; D773-T779 WeakPolarHBondContact OD1-CB 3.44Å; D773-T779 WeakPolarHBondContact OD1-CG2 3.44Å; D773-T779 PolarHBondContact OD1-N 3.07Å; D773-T779 PolarHBondContact OD1-OG1 3.4Å
774	L	93.5	Very high	87.4	Confident	20 Å²	20	72.1 Å²	72.1	11%	0.105	40%	0.399	C	S	.	.	S	Bend	trans	-69.8	-26.2	178.6	-64.4	174.5	0	0	0	112.6	F759 V761 H772 Y791 L794 M795 W798	F759-L774 HydrophobicContact CB-CB 4.44Å; F759-L774 WeakPolarHBondContact O-CB 3.17Å; F759-L774 PolarHBondContact O-N 2.88Å; V761-L774 HydrophobicContact CG1-CD2 3.75Å; V761-L774 HydrophobicContact CG1-CG 4.36Å; H772-L774 PolarHBondContact O-N 3.31Å; L774-Y791 HydrophobicContact CD1-CD2 3.7Å; L774-Y791 HydrophobicContact CD1-CE2 3.65Å; L774-L794 HydrophobicContact CB-CB 4.09Å; L774-L794 HydrophobicContact CB-CD1 4.21Å; L774-L794 HydrophobicContact CD1-CB 4.45Å; L774-M795 HydrophobicContact CD1-CG 3.68Å; L774-M795 HydrophobicContact CD1-SD 3.72Å; L774-M795 HydrophobicContact CD2-SD 4.04Å; L774-M795 HydrophobicContact CG-SD 4.47Å; L774-W798 HydrophobicContact CD2-CB 3.96Å; L774-W798 HydrophobicContact CD2-CG 4.04Å
775	K	93.8	Very high	88.1	Confident	40 Å²	40	68.6 Å²	68.6	17%	0.174	38%	0.383	C	S	.	.	S	Bend	trans	-149.2	164.2	173.7	71	-171.5	-172.3	-171.6	0	109	F759 D773 D777 G778 I781 E790 L794	F759-K775 HydrophobicContact CB-CD 4.44Å; F759-K775 HydrophobicContact CB-CG 4.15Å; F759-K775 HydrophobicContact CD1-CD 3.51Å; F759-K775 VanDerWaalsContact CD1-CE 3.46Å; F759-K775 HydrophobicContact CD1-CG 4.01Å; F759-K775 HydrophobicContact CE1-CD 3.86Å; F759-K775 HydrophobicContact CG-CD 4.05Å; F759-K775 HydrophobicContact CG-CG 4.3Å; F759-K775 VanDerWaalsContact CZ-NZ 3.25Å; D773-K775 VanDerWaalsContact C-N 3.27Å; D773-K775 WeakPolarHBondContact CB-O 3.46Å; D773-K775 PolarHBondContact O-N 3.44Å; K775-D777 PolarHBondContact O-N 3.47Å; K775-G778 WeakPolarHBondContact O-CA 3.48Å; K775-G778 PolarHBondContact O-N 3.3Å; K775-I781 HydrophobicContact CG-CD1 4.37Å; K775-E790 WeakPolarHBondContact CD-OE1 3.38Å; K775-E790 IonicContact NZ-OE1 3.26Å; K775-E790 PolarHBondContact NZ-OE1 3.1Å; K775-E790 IonicContact NZ-OE2 2.74Å; K775-E790 PolarHBondContact NZ-OE2 2.94Å; K775-L794 HydrophobicContact CB-CD1 4.12Å; K775-L794 HydrophobicContact CD-CD1 4.17Å
776	P	94.9	Very high	89.1	Confident	120 Å²	120	75.3 Å²	75.3	78%	0.779	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	132.4	-177.6	-27.6	36	0	0	0	112.9	G778 I781	P776-G778 PolarHBondContact O-N 2.92Å; P776-I781 WeakPolarHBondContact O-CD1 3.4Å
777	D	93.1	Very high	90.3	Very high	99 Å²	99	72 Å²	72	53%	0.529	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.8	21.6	-175.1	-155.4	33.9	0	0	0	115	K775 T779 N780 I781	K775-D777 PolarHBondContact O-N 3.47Å; D777-T779 VanDerWaalsContact C-N 3.31Å; D777-T779 PolarHBondContact O-N 3.32Å; D777-N780 PolarHBondContact O-N 2.73Å; D777-N780 PolarHBondContact OD1-ND2 3.22Å; D777-I781 PolarHBondContact O-N 3.08Å
778	G	92.9	Very high	91.4	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-56.8	-35.7	-170.5	0	0	0	0	0	115.6	F759 D773 K775 P776 N780 I781	F759-G778 CarbonylContact C-O 3.52Å; F759-G778 WeakPolarHBondContact CA-O 3.39Å; F759-G778 WeakPolarHBondContact CB-O 3.25Å; F759-G778 PolarHBondContact N-O 3.3Å; F759-G778 CarbonylContact O-C 3.59Å; F759-G778 VanDerWaalsContact O-CA 3.29Å; F759-G778 WeakPolarHBondContact O-CA 3.17Å; D773-G778 PolarHBondContact OD1-N 2.76Å; K775-G778 WeakPolarHBondContact O-CA 3.48Å; K775-G778 PolarHBondContact O-N 3.3Å; P776-G778 PolarHBondContact O-N 2.92Å; G778-N780 PolarHBondContact O-N 2.91Å; G778-I781 PolarHBondContact O-N 3.15Å; G778-I781 VanDerWaalsContact O-N 3.09Å
779	T	93.8	Very high	92.4	Very high	60 Å²	60	67.4 Å²	67.4	37%	0.368	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-55.1	-25.7	171.7	28	0	0	0	0	114.3	Y758 S760 D773 D777	Y758-T779 VanDerWaalsContact CD1-O 3.3Å; Y758-T779 WeakPolarHBondContact CD1-O 3.47Å; S760-T779 VanDerWaalsContact CB-CG2 3.43Å; D773-T779 WeakPolarHBondContact OD1-CB 3.44Å; D773-T779 WeakPolarHBondContact OD1-CG2 3.44Å; D773-T779 PolarHBondContact OD1-N 3.07Å; D773-T779 PolarHBondContact OD1-OG1 3.4Å; D777-T779 VanDerWaalsContact C-N 3.31Å; D777-T779 PolarHBondContact O-N 3.32Å
780	N	94	Very high	93.1	Very high	115 Å²	115	66.3 Å²	66.3	62%	0.615	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-100.8	-8.5	178.7	-65.1	-57.6	0	0	0	113.3	D777 G778	D777-N780 PolarHBondContact O-N 2.73Å; D777-N780 PolarHBondContact OD1-ND2 3.22Å; G778-N780 PolarHBondContact O-N 2.91Å
781	I	96	Very high	93.8	Very high	53 Å²	53	64.9 Å²	64.9	27%	0.272	34%	0.341	S	S	.	.			trans	-95.7	110.4	-177.3	-59.6	170.1	0	0	0	109.4	Y758 F759 K775 P776 D777 G778	Y758-I781 CarbonylContact C-O 3.58Å; Y758-I781 VanDerWaalsContact CA-O 3.28Å; Y758-I781 WeakPolarHBondContact CA-O 3.49Å; F759-I781 HydrophobicContact CB-CB 4.47Å; F759-I781 HydrophobicContact CD2-CB 4.16Å; F759-I781 HydrophobicContact CD2-CG2 3.68Å; F759-I781 WeakPolarHBondContact CD2-O 3.41Å; F759-I781 HydrophobicContact CE2-CG2 4.03Å; F759-I781 HydrophobicContact CG-CG2 4.44Å; F759-I781 PolarHBondContact N-O 2.83Å; K775-I781 HydrophobicContact CG-CD1 4.37Å; P776-I781 WeakPolarHBondContact O-CD1 3.4Å; D777-I781 PolarHBondContact O-N 3.08Å; G778-I781 PolarHBondContact O-N 3.15Å; G778-I781 VanDerWaalsContact O-N 3.09Å
782	L	95.1	Very high	94.1	Very high	75 Å²	75	61.5 Å²	61.5	39%	0.393	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-67.7	141.1	176.2	-169	77.3	0	0	0	111.1	E756 M757 Y758 T784 N787	E756-L782 HydrophobicContact CG-CD1 4.06Å; M757-L782 WeakPolarHBondContact O-CA 3.25Å; M757-L782 WeakPolarHBondContact O-CD1 3.44Å; Y758-L782 HydrophobicContact CD1-CD1 4.48Å; Y758-L782 HydrophobicContact CE1-CB 4.24Å; Y758-L782 HydrophobicContact CE1-CD1 3.96Å; Y758-L782 HydrophobicContact CE2-CD1 4.29Å; L782-T784 HydrophobicContact CD2-CG2 4.4Å; L782-N787 PolarHBondContact O-ND2 2.9Å
783	V	95.6	Very high	94.2	Very high	4 Å²	4	60.3 Å²	60.3	2%	0.024	32%	0.32	C	S	.	.			trans	-80.6	128.1	170	-170.2	0	0	0	0	109.5	I750 M757 F759 N787 K788 Y791	I750-V783 HydrophobicContact CD1-CB 4.28Å; I750-V783 HydrophobicContact CD1-CG1 3.78Å; M757-V783 HydrophobicContact CB-CB 4.06Å; M757-V783 HydrophobicContact CB-CG2 3.88Å; M757-V783 HydrophobicContact CE-CB 4.2Å; M757-V783 HydrophobicContact CE-CG1 4.1Å; M757-V783 PolarHBondContact O-N 3.49Å; F759-V783 HydrophobicContact CD2-CG2 3.91Å; F759-V783 HydrophobicContact CE2-CB 4.49Å; F759-V783 HydrophobicContact CE2-CG2 3.94Å; V783-N787 VanDerWaalsContact CA-OD1 3.26Å; V783-N787 WeakPolarHBondContact CA-OD1 3.49Å; V783-N787 WeakPolarHBondContact CG1-OD1 3.48Å; V783-K788 HydrophobicContact CG1-CB 3.92Å; V783-Y791 HydrophobicContact CG1-CD1 4.11Å; V783-Y791 HydrophobicContact CG1-CG 4.02Å; V783-Y791 HydrophobicContact CG2-CD1 4.2Å; V783-Y791 HydrophobicContact CG2-CD2 3.56Å; V783-Y791 HydrophobicContact CG2-CE2 3.94Å; V783-Y791 HydrophobicContact CG2-CG 3.7Å
784	T	94.1	Very high	94.2	Very high	35 Å²	35	59.3 Å²	59.3	22%	0.215	31%	0.314	C	S	.	.			trans	-127.5	168.7	-178.9	63.6	0	0	0	0	110.3	E751 L782 E786 N787 K788	E751-T784 WeakPolarHBondContact OE1-CB 3.36Å; L782-T784 HydrophobicContact CD2-CG2 4.4Å; T784-E786 PolarHBondContact O-N 2.97Å; T784-N787 PolarHBondContact N-OD1 2.94Å; T784-N787 PolarHBondContact O-N 3.24Å; T784-N787 VanDerWaalsContact O-N 3.11Å; T784-N787 PolarHBondContact O-OD1 2.84Å; T784-N787 PolarHBondContact OG1-ND2 3Å; T784-K788 WeakPolarHBondContact O-CB 3.2Å; T784-K788 PolarHBondContact O-N 3.31Å
785	E	93.4	Very high	94.2	Very high	60 Å²	60	58.9 Å²	58.9	28%	0.28	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-30.4	175.3	-74.2	-66	108.1	0	0	112.6	N749 I750 E751 K788	N749-E785 WeakPolarHBondContact CA-OE1 3.26Å; I750-E785 WeakPolarHBondContact CG1-OE1 3.14Å; I750-E785 PolarHBondContact N-OE1 2.9Å; E751-E785 HydrophobicContact CG-CG 4.26Å; E751-E785 PolarHBondContact OE1-N 3.36Å; E785-K788 WeakPolarHBondContact OE1-CD 3.41Å; E785-K788 IonicContact OE1-NZ 2.71Å; E785-K788 PolarHBondContact OE1-NZ 2.81Å; E785-K788 IonicContact OE2-NZ 3.55Å; E785-K788 PolarHBondContact OE2-NZ 3.2Å
786	E	94.3	Very high	94.1	Very high	191 Å²	191	57.3 Å²	57.3	89%	0.893	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-27.7	178.2	-60.4	-173.7	155.9	0	0	113.8	T784	T784-E786 PolarHBondContact O-N 2.97Å
787	N	95.1	Very high	93.8	Very high	31 Å²	31	57.1 Å²	57.1	17%	0.166	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-3.7	-171.2	75.8	28.6	0	0	0	114.8	F759 L782 V783 T784 E789 E790 Y791	F759-N787 HydrophobicContact CE2-CB 4.42Å; F759-N787 WeakPolarHBondContact CE2-OD1 3.47Å; F759-N787 HydrophobicContact CZ-CB 4.18Å; L782-N787 PolarHBondContact O-ND2 2.9Å; V783-N787 VanDerWaalsContact CA-OD1 3.26Å; V783-N787 WeakPolarHBondContact CA-OD1 3.49Å; V783-N787 WeakPolarHBondContact CG1-OD1 3.48Å; T784-N787 PolarHBondContact N-OD1 2.94Å; T784-N787 PolarHBondContact O-N 3.24Å; T784-N787 VanDerWaalsContact O-N 3.11Å; T784-N787 PolarHBondContact O-OD1 2.84Å; T784-N787 PolarHBondContact OG1-ND2 3Å; N787-E789 VanDerWaalsContact C-N 3.27Å; N787-E789 PolarHBondContact O-N 2.76Å; N787-E790 VanDerWaalsContact O-CB 3.31Å; N787-E790 WeakPolarHBondContact O-CB 3.32Å; N787-E790 PolarHBondContact O-N 3.43Å; N787-Y791 PolarHBondContact O-N 3.29Å
788	K	94.6	Very high	93.6	Very high	14 Å²	14	53.2 Å²	53.2	6%	0.061	27%	0.273	C	S	.	.	H	α-helix	trans	-59.7	-29.4	-175.3	68.7	-176.1	-173.9	-178.1	0	115	I745 R746 N748 I750 V783 T784 E785 E790 Y791 I792	I745-K788 HydrophobicContact CG2-CB 4.28Å; I745-K788 WeakPolarHBondContact O-CD 3.48Å; I745-K788 PolarHBondContact O-NZ 2.96Å; R746-K788 WeakPolarHBondContact O-CE 3.43Å; R746-K788 PolarHBondContact O-NZ 3.35Å; R746-K788 VanDerWaalsContact O-NZ 3.15Å; N748-K788 PolarHBondContact O-NZ 2.7Å; I750-K788 HydrophobicContact CD1-CB 4.41Å; V783-K788 HydrophobicContact CG1-CB 3.92Å; T784-K788 WeakPolarHBondContact O-CB 3.2Å; T784-K788 PolarHBondContact O-N 3.31Å; E785-K788 WeakPolarHBondContact OE1-CD 3.41Å; E785-K788 IonicContact OE1-NZ 2.71Å; E785-K788 PolarHBondContact OE1-NZ 2.81Å; E785-K788 IonicContact OE2-NZ 3.55Å; E785-K788 PolarHBondContact OE2-NZ 3.2Å; K788-E790 VanDerWaalsContact C-N 3.33Å; K788-E790 PolarHBondContact O-N 2.83Å; K788-Y791 WeakPolarHBondContact O-CB 3.28Å; K788-Y791 PolarHBondContact O-N 2.86Å; K788-I792 WeakPolarHBondContact O-CB 3.32Å; K788-I792 WeakPolarHBondContact O-CD1 3.27Å; K788-I792 WeakPolarHBondContact O-CG1 3.34Å; K788-I792 PolarHBondContact O-N 3.3Å
789	E	94.3	Very high	93.4	Very high	101 Å²	101	54 Å²	54	47%	0.472	28%	0.275	S	S	.	.	H	α-helix	trans	-66.3	-33.8	175.1	-65.1	-58.1	148.6	0	0	112.7	R746 N787 S793	R746-E789 WeakPolarHBondContact CG-OE1 3.41Å; N787-E789 VanDerWaalsContact C-N 3.27Å; N787-E789 PolarHBondContact O-N 2.76Å; E789-S793 VanDerWaalsContact O-CB 3.32Å; E789-S793 WeakPolarHBondContact O-CB 3.49Å; E789-S793 PolarHBondContact O-N 2.8Å; E789-S793 PolarHBondContact O-OG 2.8Å
790	E	95.5	Very high	93.1	Very high	85 Å²	85	52.4 Å²	52.4	40%	0.397	26%	0.263	S	S	.	.	H	α-helix	trans	-67.4	-45.6	172.3	-170	-161	168.5	0	0	109.9	F759 K775 N787 K788 S793 L794	F759-E790 HydrophobicContact CE1-CB 4.11Å; F759-E790 HydrophobicContact CE1-CG 3.98Å; F759-E790 HydrophobicContact CZ-CB 4.25Å; F759-E790 HydrophobicContact CZ-CG 4.49Å; K775-E790 WeakPolarHBondContact CD-OE1 3.38Å; K775-E790 IonicContact NZ-OE1 3.26Å; K775-E790 PolarHBondContact NZ-OE1 3.1Å; K775-E790 IonicContact NZ-OE2 2.74Å; K775-E790 PolarHBondContact NZ-OE2 2.94Å; N787-E790 VanDerWaalsContact O-CB 3.31Å; N787-E790 WeakPolarHBondContact O-CB 3.32Å; N787-E790 PolarHBondContact O-N 3.43Å; K788-E790 VanDerWaalsContact C-N 3.33Å; K788-E790 PolarHBondContact O-N 2.83Å; E790-S793 PolarHBondContact O-N 3.49Å; E790-L794 HydrophobicContact CG-CD1 4.08Å; E790-L794 WeakPolarHBondContact O-CG 3.41Å; E790-L794 PolarHBondContact O-N 2.76Å
791	Y	94.9	Very high	92.6	Very high	19 Å²	19	48.5 Å²	48.5	8%	0.075	25%	0.245	C	C	.	.	H	α-helix	trans	-59.9	-47.1	176.6	174.3	-103.3	0	0	0	112.2	I745 M757 Y758 F759 L774 V783 N787 K788 S793 L794 M795	I745-Y791 HydrophobicContact CD1-CE1 4.11Å; M757-Y791 HydrophobicContact CE-CE1 4.31Å; M757-Y791 HydrophobicContact SD-CE1 4.24Å; Y758-Y791 VanDerWaalsContact O-CE2 3.27Å; Y758-Y791 WeakPolarHBondContact O-CE2 3.21Å; F759-Y791 HydrophobicContact CD1-CD2 4.26Å; F759-Y791 HydrophobicContact CG-CD2 4.32Å; L774-Y791 HydrophobicContact CD1-CD2 3.7Å; L774-Y791 HydrophobicContact CD1-CE2 3.65Å; V783-Y791 HydrophobicContact CG1-CD1 4.11Å; V783-Y791 HydrophobicContact CG1-CG 4.02Å; V783-Y791 HydrophobicContact CG2-CD1 4.2Å; V783-Y791 HydrophobicContact CG2-CD2 3.56Å; V783-Y791 HydrophobicContact CG2-CE2 3.94Å; V783-Y791 HydrophobicContact CG2-CG 3.7Å; N787-Y791 PolarHBondContact O-N 3.29Å; K788-Y791 WeakPolarHBondContact O-CB 3.28Å; K788-Y791 PolarHBondContact O-N 2.86Å; Y791-S793 VanDerWaalsContact C-N 3.32Å; Y791-S793 PolarHBondContact O-N 2.78Å; Y791-L794 PolarHBondContact O-N 3.29Å; Y791-M795 HydrophobicContact CD1-CG 4.36Å; Y791-M795 HydrophobicContact CD2-CG 4.12Å; Y791-M795 HydrophobicContact CE1-CG 4.01Å; Y791-M795 HydrophobicContact CE2-CG 3.73Å; Y791-M795 HydrophobicContact CE2-SD 4.33Å; Y791-M795 HydrophobicContact CG-CG 4.42Å; Y791-M795 VanDerWaalsContact O-CB 3.27Å; Y791-M795 WeakPolarHBondContact O-CB 3.28Å; Y791-M795 WeakPolarHBondContact O-CG 3.4Å; Y791-M795 PolarHBondContact O-N 3.45Å
792	I	94.1	Very high	92.1	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.021	24%	0.243	C	C	.	.	H	α-helix	trans	-59.4	-43.8	175.8	-70.6	158.1	0	0	0	110.8	L728 L742 I745 R746 K788 A796	L728-I792 HydrophobicContact CD1-CG2 4.1Å; L728-I792 HydrophobicContact CD2-CG2 3.74Å; L742-I792 HydrophobicContact CB-CG2 4.37Å; L742-I792 HydrophobicContact CD2-CG1 4.49Å; I745-I792 HydrophobicContact CG2-CD1 4.12Å; I745-I792 HydrophobicContact CG2-CG1 4.21Å; R746-I792 HydrophobicContact CB-CD1 3.67Å; R746-I792 HydrophobicContact CG-CD1 4Å; K788-I792 WeakPolarHBondContact O-CB 3.32Å; K788-I792 WeakPolarHBondContact O-CD1 3.27Å; K788-I792 WeakPolarHBondContact O-CG1 3.34Å; K788-I792 PolarHBondContact O-N 3.3Å; I792-A796 WeakPolarHBondContact O-CB 3.3Å; I792-A796 PolarHBondContact O-N 3.2Å
793	S	92.3	Very high	91.6	Very high	72 Å²	72	46.3 Å²	46.3	50%	0.503	24%	0.236	S	C	.	.	H	α-helix	trans	-63.1	-47.2	179.1	-63.5	0	0	0	0	112	E789 E790 Y791 A796 E797	E789-S793 VanDerWaalsContact O-CB 3.32Å; E789-S793 WeakPolarHBondContact O-CB 3.49Å; E789-S793 PolarHBondContact O-N 2.8Å; E789-S793 PolarHBondContact O-OG 2.8Å; E790-S793 PolarHBondContact O-N 3.49Å; Y791-S793 VanDerWaalsContact C-N 3.32Å; Y791-S793 PolarHBondContact O-N 2.78Å; S793-A796 PolarHBondContact O-N 3.47Å; S793-E797 PolarHBondContact O-N 2.93Å
794	L	93.7	Very high	91.3	Very high	47 Å²	47	47 Å²	47	25%	0.246	24%	0.24	C	C	.	.	H	α-helix	trans	-68.3	-39.7	178.6	-67.7	169.5	0	0	0	112.2	F759 L774 K775 E790 Y791 E797 W798	F759-L794 HydrophobicContact CD1-CD1 3.89Å; F759-L794 HydrophobicContact CE1-CD1 3.99Å; L774-L794 HydrophobicContact CB-CB 4.09Å; L774-L794 HydrophobicContact CB-CD1 4.21Å; L774-L794 HydrophobicContact CD1-CB 4.45Å; K775-L794 HydrophobicContact CB-CD1 4.12Å; K775-L794 HydrophobicContact CD-CD1 4.17Å; E790-L794 HydrophobicContact CG-CD1 4.08Å; E790-L794 WeakPolarHBondContact O-CG 3.41Å; E790-L794 PolarHBondContact O-N 2.76Å; Y791-L794 PolarHBondContact O-N 3.29Å; L794-E797 PolarHBondContact O-N 3.32Å; L794-W798 WeakPolarHBondContact O-CB 3.18Å; L794-W798 PolarHBondContact O-N 2.89Å
795	M	92.6	Very high	91.1	Very high	11 Å²	11	49.6 Å²	49.6	5%	0.054	25%	0.25	C	C	.	.	H	α-helix	trans	-63.9	-38.9	175.2	-81	-68.6	-93.6	0	0	112.5	F738 L742 V761 L774 Y791 W798 R799	F738-M795 HydrophobicContact CE2-CE 3.68Å; F738-M795 HydrophobicContact CZ-CB 4.27Å; F738-M795 HydrophobicContact CZ-CE 3.62Å; F738-M795 HydrophobicContact CZ-SD 4.3Å; L742-M795 HydrophobicContact CD1-CB 4.12Å; L742-M795 HydrophobicContact CD2-CB 3.89Å; L742-M795 HydrophobicContact CD2-CG 4.4Å; V761-M795 HydrophobicContact CB-CE 4.49Å; V761-M795 HydrophobicContact CB-SD 4.05Å; V761-M795 HydrophobicContact CG1-SD 4.31Å; V761-M795 HydrophobicContact CG2-CE 4.09Å; V761-M795 HydrophobicContact CG2-SD 4.16Å; L774-M795 HydrophobicContact CD1-CG 3.68Å; L774-M795 HydrophobicContact CD1-SD 3.72Å; L774-M795 HydrophobicContact CD2-SD 4.04Å; L774-M795 HydrophobicContact CG-SD 4.47Å; Y791-M795 HydrophobicContact CD1-CG 4.36Å; Y791-M795 HydrophobicContact CD2-CG 4.12Å; Y791-M795 HydrophobicContact CE1-CG 4.01Å; Y791-M795 HydrophobicContact CE2-CG 3.73Å; Y791-M795 HydrophobicContact CE2-SD 4.33Å; Y791-M795 HydrophobicContact CG-CG 4.42Å; Y791-M795 VanDerWaalsContact O-CB 3.27Å; Y791-M795 WeakPolarHBondContact O-CB 3.28Å; Y791-M795 WeakPolarHBondContact O-CG 3.4Å; Y791-M795 PolarHBondContact O-N 3.45Å; M795-W798 HydrophobicContact SD-CE3 4.45Å; M795-R799 VanDerWaalsContact O-CB 3.24Å; M795-R799 WeakPolarHBondContact O-CB 3.38Å; M795-R799 PolarHBondContact O-N 2.79Å
796	A	91.4	Very high	91.1	Very high	7 Å²	7	48.4 Å²	48.4	6%	0.058	25%	0.253	C	S	.	.	H	α-helix	trans	-66.4	-49.3	174.5	0	0	0	0	0	111.2	L728 L731 L742 I792 S793 W798 R799 F800	L728-A796 HydrophobicContact CD1-CB 4.17Å; L731-A796 HydrophobicContact CD2-CB 4.26Å; L742-A796 HydrophobicContact CD1-CB 4.4Å; I792-A796 WeakPolarHBondContact O-CB 3.3Å; I792-A796 PolarHBondContact O-N 3.2Å; S793-A796 PolarHBondContact O-N 3.47Å; A796-W798 PolarHBondContact O-N 2.66Å; A796-R799 PolarHBondContact O-N 3.07Å; A796-F800 WeakPolarHBondContact O-CD2 3.45Å; A796-F800 PolarHBondContact O-N 3.47Å
797	E	88.9	Confident	91.1	Very high	117 Å²	117	39.9 Å²	39.9	55%	0.547	21%	0.213	S	C	.	.	H	α-helix	trans	-59.8	-48.3	178.6	-174.3	160.8	165.4	0	0	111.7	S793 L794 R799 F800 S801	S793-E797 PolarHBondContact O-N 2.93Å; L794-E797 PolarHBondContact O-N 3.32Å; E797-R799 PolarHBondContact O-N 3.22Å; E797-F800 PolarHBondContact O-N 2.91Å; E797-F800 VanDerWaalsContact O-N 3.13Å; E797-S801 PolarHBondContact O-N 2.93Å; E797-S801 PolarHBondContact O-OG 3.45Å
798	W	89.9	Confident	91	Very high	17 Å²	17	39 Å²	39	6%	0.064	21%	0.209	C	C	.	.	H	α-helix	trans	-57.3	-43.4	174.6	175.1	86.1	0	0	0	112.7	V761 M763 H772 L774 L794 M795 A796 F800 S801 R802	V761-W798 HydrophobicContact CB-CH2 4.19Å; V761-W798 HydrophobicContact CB-CZ2 4.34Å; V761-W798 HydrophobicContact CB-CZ3 4.41Å; V761-W798 HydrophobicContact CG1-CD2 3.68Å; V761-W798 HydrophobicContact CG1-CE3 3.96Å; V761-W798 HydrophobicContact CG1-CG 4.31Å; V761-W798 HydrophobicContact CG1-CH2 3.7Å; V761-W798 HydrophobicContact CG1-CZ2 3.43Å; V761-W798 VanDerWaalsContact CG1-CZ2 3.43Å; V761-W798 HydrophobicContact CG1-CZ3 3.97Å; V761-W798 HydrophobicContact CG2-CE3 4.34Å; V761-W798 HydrophobicContact CG2-CH2 3.39Å; V761-W798 HydrophobicContact CG2-CZ2 4Å; V761-W798 HydrophobicContact CG2-CZ3 3.61Å; M763-W798 HydrophobicContact CB-CZ2 4.03Å; M763-W798 HydrophobicContact CG-CZ2 4.25Å; M763-W798 HydrophobicContact SD-CZ2 4.2Å; H772-W798 AromaticContact CG-NE1 3.88Å; H772-W798 AromaticContact ND1-CD1 3.88Å; H772-W798 AromaticContact ND1-NE1 3.93Å; L774-W798 HydrophobicContact CD2-CB 3.96Å; L774-W798 HydrophobicContact CD2-CG 4.04Å; L794-W798 WeakPolarHBondContact O-CB 3.18Å; L794-W798 PolarHBondContact O-N 2.89Å; M795-W798 HydrophobicContact SD-CE3 4.45Å; A796-W798 PolarHBondContact O-N 2.66Å; W798-F800 PolarHBondContact O-N 3.06Å; W798-S801 WeakPolarHBondContact CA-OG 3.45Å; W798-S801 PolarHBondContact O-N 3.01Å; W798-S801 PolarHBondContact O-OG 3.03Å; W798-R802 HydrophobicContact CD2-CB 4.3Å; W798-R802 HydrophobicContact CZ2-CB 4.35Å; W798-R802 WeakPolarHBondContact O-CB 3.28Å; W798-R802 VanDerWaalsContact O-CG 3.25Å; W798-R802 WeakPolarHBondContact O-CG 3.37Å; W798-R802 PolarHBondContact O-N 3.48Å
799	R	88.8	Confident	91	Very high	15 Å²	15	44.2 Å²	44.2	6%	0.057	23%	0.232	C	C	.	.	H	α-helix	trans	-65.8	-22.3	179.4	176.6	55.7	-172.4	89.2	-2.8	113.2	Q677 L731 D735 F738 M795 A796 E797 R802	Q677-R799 VanDerWaalsContact OE1-NH1 3.16Å; Q677-R799 VanDerWaalsContact OE1-NH2 3.16Å; L731-R799 HydrophobicContact CD1-CB 4.39Å; L731-R799 HydrophobicContact CD1-CG 3.56Å; D735-R799 IonicContact OD2-CZ 3.9Å; D735-R799 VanDerWaalsContact OD2-CZ 3.23Å; D735-R799 IonicContact OD2-NE 2.74Å; D735-R799 PolarHBondContact OD2-NE 3.43Å; D735-R799 IonicContact OD2-NH2 3.23Å; D735-R799 PolarHBondContact OD2-NH2 2.96Å; F738-R799 HydrophobicContact CD1-CB 4.22Å; F738-R799 HydrophobicContact CD1-CG 3.82Å; F738-R799 HydrophobicContact CE1-CB 3.56Å; F738-R799 HydrophobicContact CE1-CG 3.69Å; F738-R799 HydrophobicContact CZ-CB 4.12Å; F738-R799 HydrophobicContact CZ-CG 4.43Å; M795-R799 VanDerWaalsContact O-CB 3.24Å; M795-R799 WeakPolarHBondContact O-CB 3.38Å; M795-R799 PolarHBondContact O-N 2.79Å; A796-R799 PolarHBondContact O-N 3.07Å; E797-R799 PolarHBondContact O-N 3.22Å; R799-R802 VanDerWaalsContact CD-CZ 3.43Å
800	F	86.4	Confident	91.1	Very high	27 Å²	27	39.9 Å²	39.9	12%	0.118	21%	0.214	C	C	.	.	H	α-helix	trans	-88.7	-30.4	172.5	-65.4	-61.8	0	0	0	114.2	P716 L726 D730 L731 I734 A796 E797 W798 V804	P716-F800 HydrophobicContact CB-CE1 4.42Å; L726-F800 HydrophobicContact CB-CD1 4.49Å; L726-F800 HydrophobicContact CB-CD2 3.64Å; L726-F800 HydrophobicContact CB-CE2 3.68Å; L726-F800 HydrophobicContact CB-CG 4.08Å; L726-F800 HydrophobicContact CB-CZ 4.13Å; L726-F800 HydrophobicContact CD1-CB 3.67Å; L726-F800 HydrophobicContact CD1-CD1 3.7Å; L726-F800 HydrophobicContact CD1-CD2 4.02Å; L726-F800 HydrophobicContact CD1-CE1 4.29Å; L726-F800 HydrophobicContact CD1-CG 3.55Å; L726-F800 HydrophobicContact CG-CD2 4.48Å; L726-F800 HydrophobicContact CG-CG 4.45Å; D730-F800 HydrophobicContact CB-CE1 4.26Å; D730-F800 HydrophobicContact CB-CZ 3.74Å; L731-F800 HydrophobicContact CB-CE1 4.44Å; L731-F800 HydrophobicContact CB-CZ 3.81Å; L731-F800 HydrophobicContact CD1-CE1 4.09Å; L731-F800 HydrophobicContact CD1-CZ 4.13Å; L731-F800 HydrophobicContact CG-CZ 4.47Å; I734-F800 HydrophobicContact CD1-CD1 3.98Å; I734-F800 HydrophobicContact CD1-CE1 3.76Å; A796-F800 WeakPolarHBondContact O-CD2 3.45Å; A796-F800 PolarHBondContact O-N 3.47Å; E797-F800 PolarHBondContact O-N 2.91Å; E797-F800 VanDerWaalsContact O-N 3.13Å; W798-F800 PolarHBondContact O-N 3.06Å; F800-V804 WeakPolarHBondContact O-CG2 3.46Å
801	S	84.8	Confident	91.1	Very high	33 Å²	33	36 Å²	36	23%	0.231	20%	0.195	C	C	.	.	H	α-helix	trans	-87.4	-40	-178.3	56.8	0	0	0	0	113.9	E797 W798 G803 V804 E805	E797-S801 PolarHBondContact O-N 2.93Å; E797-S801 PolarHBondContact O-OG 3.45Å; W798-S801 WeakPolarHBondContact CA-OG 3.45Å; W798-S801 PolarHBondContact O-N 3.01Å; W798-S801 PolarHBondContact O-OG 3.03Å; S801-G803 PolarHBondContact O-N 2.98Å; S801-G803 VanDerWaalsContact O-N 3.1Å; S801-V804 WeakPolarHBondContact O-CG2 3.49Å; S801-V804 PolarHBondContact O-N 2.99Å; S801-E805 WeakPolarHBondContact O-CG 3.41Å
802	R	85.3	Confident	91.1	Very high	59 Å²	59	36.6 Å²	36.6	22%	0.223	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.9	106.8	-161.1	60.7	-179.8	-160.7	178	6.4	115.1	M763 W798 R799 V804	M763-R802 HydrophobicContact CE-CB 3.89Å; M763-R802 HydrophobicContact CE-CG 3.68Å; M763-R802 HydrophobicContact SD-CB 3.85Å; M763-R802 HydrophobicContact SD-CG 4.17Å; W798-R802 HydrophobicContact CD2-CB 4.3Å; W798-R802 HydrophobicContact CZ2-CB 4.35Å; W798-R802 WeakPolarHBondContact O-CB 3.28Å; W798-R802 VanDerWaalsContact O-CG 3.25Å; W798-R802 WeakPolarHBondContact O-CG 3.37Å; W798-R802 PolarHBondContact O-N 3.48Å; R799-R802 VanDerWaalsContact CD-CZ 3.43Å; R802-V804 PolarHBondContact O-N 2.83Å
803	G	82.9	Confident	91.2	Very high	24 Å²	24	39.8 Å²	39.8	25%	0.247	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	69	13.1	172.5	0	0	0	0	0	114.7	S801 E805 Q807	S801-G803 PolarHBondContact O-N 2.98Å; S801-G803 VanDerWaalsContact O-N 3.1Å; G803-E805 WeakPolarHBondContact CA-OE2 3.27Å; G803-E805 PolarHBondContact N-OE1 3.01Å; G803-E805 PolarHBondContact N-OE2 3.1Å; G803-Q807 PolarHBondContact O-NE2 2.89Å; G803-Q807 PolarHBondContact O-OE1 3.3Å
804	V	90.1	Very high	91.5	Very high	18 Å²	18	36.4 Å²	36.4	11%	0.109	19%	0.193	C	C	.	.			trans	-117.8	6.5	174.5	-59	0	0	0	0	112.7	I678 P680 F800 S801 R802 Q807 T808	I678-V804 HydrophobicContact CB-CB 4.11Å; I678-V804 HydrophobicContact CB-CG1 3.88Å; I678-V804 HydrophobicContact CG2-CB 3.89Å; I678-V804 HydrophobicContact CG2-CG1 3.66Å; P680-V804 HydrophobicContact CB-CG1 4.18Å; P680-V804 HydrophobicContact CG-CG1 3.93Å; F800-V804 WeakPolarHBondContact O-CG2 3.46Å; S801-V804 WeakPolarHBondContact O-CG2 3.49Å; S801-V804 PolarHBondContact O-N 2.99Å; R802-V804 PolarHBondContact O-N 2.83Å; V804-Q807 VanDerWaalsContact C-OE1 3.26Å; V804-Q807 VanDerWaalsContact CA-OE1 3.29Å; V804-T808 VanDerWaalsContact O-CB 3.26Å; V804-T808 WeakPolarHBondContact O-CB 3.33Å; V804-T808 PolarHBondContact O-N 2.69Å; V804-T808 PolarHBondContact O-OG1 3.36Å
805	E	89.9	Confident	91.6	Very high	90 Å²	90	34.1 Å²	34.1	42%	0.421	18%	0.181	S	C	.	.	H	α-helix	trans	-67.4	-45.4	-173.8	-52.4	87.1	164.6	0	0	112.1	S801 G803 T808 K809	S801-E805 WeakPolarHBondContact O-CG 3.41Å; G803-E805 WeakPolarHBondContact CA-OE2 3.27Å; G803-E805 PolarHBondContact N-OE1 3.01Å; G803-E805 PolarHBondContact N-OE2 3.1Å; E805-T808 PolarHBondContact O-N 3.23Å; E805-K809 WeakPolarHBondContact O-CB 3.49Å; E805-K809 PolarHBondContact O-N 3.28Å
806	G	93.7	Very high	91.8	Very high	34 Å²	34	37.2 Å²	37.2	35%	0.351	20%	0.198	S	C	.	.	H	α-helix	trans	-67.9	-39.7	179.5	0	0	0	0	0	112.6	K809 A810	G806-K809 PolarHBondContact O-N 3.2Å; G806-A810 WeakPolarHBondContact O-CB 3.42Å; G806-A810 PolarHBondContact O-N 3.21Å
807	Q	94.5	Very high	92	Very high	12 Å²	12	40.7 Å²	40.7	6%	0.056	21%	0.213	C	C	.	.	H	α-helix	trans	-63.3	-48.1	175.1	-61.3	88.5	-35.2	0	0	110.7	I678 S682 L689 F692 G803 V804 K809 A810 F811	I678-Q807 HydrophobicContact CD1-CB 4.28Å; I678-Q807 HydrophobicContact CG2-CB 3.74Å; I678-Q807 HydrophobicContact CG2-CG 3.98Å; S682-Q807 WeakPolarHBondContact OG-CG 3.4Å; S682-Q807 PolarHBondContact OG-NE2 3.47Å; L689-Q807 HydrophobicContact CD2-CG 4.29Å; F692-Q807 HydrophobicContact CD1-CB 4.4Å; F692-Q807 HydrophobicContact CD2-CB 3.61Å; F692-Q807 HydrophobicContact CD2-CG 3.67Å; F692-Q807 HydrophobicContact CE1-CB 4.36Å; F692-Q807 HydrophobicContact CE2-CB 3.59Å; F692-Q807 HydrophobicContact CE2-CG 3.33Å; F692-Q807 HydrophobicContact CG-CB 4.05Å; F692-Q807 HydrophobicContact CZ-CB 3.98Å; F692-Q807 HydrophobicContact CZ-CG 4Å; G803-Q807 PolarHBondContact O-NE2 2.89Å; G803-Q807 PolarHBondContact O-OE1 3.3Å; V804-Q807 VanDerWaalsContact C-OE1 3.26Å; V804-Q807 VanDerWaalsContact CA-OE1 3.29Å; Q807-K809 PolarHBondContact O-N 3.38Å; Q807-A810 PolarHBondContact O-N 2.85Å; Q807-F811 WeakPolarHBondContact O-CB 3.28Å; Q807-F811 PolarHBondContact O-N 3.12Å
808	T	92.6	Very high	92.4	Very high	14 Å²	14	35.1 Å²	35.1	9%	0.086	19%	0.187	C	C	.	.	H	α-helix	trans	-59.7	-45.9	175	-58.9	0	0	0	0	110.7	R720 V804 E805 F811 L812	R720-T808 HydrophobicContact CG-CG2 3.62Å; V804-T808 VanDerWaalsContact O-CB 3.26Å; V804-T808 WeakPolarHBondContact O-CB 3.33Å; V804-T808 PolarHBondContact O-N 2.69Å; V804-T808 PolarHBondContact O-OG1 3.36Å; E805-T808 PolarHBondContact O-N 3.23Å; T808-F811 PolarHBondContact O-N 3.49Å; T808-L812 HydrophobicContact CG2-CD1 3.9Å; T808-L812 HydrophobicContact CG2-CG 4.34Å; T808-L812 WeakPolarHBondContact O-CB 3.36Å; T808-L812 VanDerWaalsContact O-CG 3.29Å; T808-L812 WeakPolarHBondContact O-CG 3.38Å; T808-L812 PolarHBondContact O-N 3.35Å
809	K	94.3	Very high	92.7	Very high	122 Å²	122	34.3 Å²	34.3	53%	0.53	18%	0.184	S	C	.	.	H	α-helix	trans	-61	-49.1	177.7	-165.9	-156.2	178.9	-59	0	111.2	E805 G806 Q807 F811 L812 D813	E805-K809 WeakPolarHBondContact O-CB 3.49Å; E805-K809 PolarHBondContact O-N 3.28Å; G806-K809 PolarHBondContact O-N 3.2Å; Q807-K809 PolarHBondContact O-N 3.38Å; K809-F811 VanDerWaalsContact C-N 3.3Å; K809-F811 PolarHBondContact O-N 2.93Å; K809-L812 PolarHBondContact O-N 2.88Å; K809-L812 VanDerWaalsContact O-N 3.12Å; K809-D813 IonicContact NZ-OD1 2.8Å; K809-D813 PolarHBondContact NZ-OD1 3.29Å; K809-D813 IonicContact NZ-OD2 2.74Å; K809-D813 PolarHBondContact NZ-OD2 2.84Å; K809-D813 WeakPolarHBondContact O-CB 3.32Å; K809-D813 PolarHBondContact O-N 2.97Å
810	A	97.4	Very high	93	Very high	11 Å²	11	35.2 Å²	35.2	9%	0.091	19%	0.191	C	C	.	.	H	α-helix	trans	-60.3	-39.3	179.9	0	0	0	0	0	112.4	L689 F692 C693 G806 Q807 G814	L689-A810 HydrophobicContact CB-CB 4.15Å; L689-A810 HydrophobicContact CD2-CB 4.29Å; L689-A810 WeakPolarHBondContact O-CB 3.37Å; F692-A810 HydrophobicContact CB-CB 4.04Å; C693-A810 VanDerWaalsContact CA-O 3.27Å; C693-A810 WeakPolarHBondContact CA-O 3.46Å; G806-A810 WeakPolarHBondContact O-CB 3.42Å; G806-A810 PolarHBondContact O-N 3.21Å; Q807-A810 PolarHBondContact O-N 2.85Å; A810-G814 PolarHBondContact O-N 3.37Å; A810-G814 VanDerWaalsContact O-N 3.1Å
811	F	95.6	Very high	93.2	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.018	20%	0.198	C	C	.	.	H	α-helix	trans	-61.9	-49.3	171.5	174.6	-81.1	0	0	0	112.1	F692 I695 G696 I699 F717 M721 Q807 T808 K809 D813 G814 F815	F692-F811 HydrophobicContact CB-CB 4.36Å; F692-F811 WeakPolarHBondContact O-CA 3.28Å; I695-F811 HydrophobicContact CB-CD2 4.45Å; I695-F811 HydrophobicContact CG2-CD2 4.1Å; I695-F811 HydrophobicContact CG2-CE2 3.95Å; G696-F811 WeakPolarHBondContact CA-O 3.36Å; I699-F811 HydrophobicContact CB-CE2 4.43Å; I699-F811 HydrophobicContact CB-CZ 4.3Å; I699-F811 HydrophobicContact CG1-CE2 3.99Å; I699-F811 HydrophobicContact CG1-CZ 4.27Å; I699-F811 HydrophobicContact CG2-CZ 4.42Å; F717-F811 HydrophobicContact CE1-CE1 4.32Å; F717-F811 HydrophobicContact CE1-CE2 4.22Å; F717-F811 AromaticContact CE1-CZ 3.89Å; F717-F811 HydrophobicContact CE1-CZ 3.89Å; F717-F811 HydrophobicContact CZ-CD1 4.41Å; F717-F811 HydrophobicContact CZ-CD2 4.13Å; F717-F811 HydrophobicContact CZ-CE1 4.14Å; F717-F811 AromaticContact CZ-CE2 3.77Å; F717-F811 HydrophobicContact CZ-CE2 3.77Å; F717-F811 HydrophobicContact CZ-CG 4.44Å; F717-F811 AromaticContact CZ-CZ 3.8Å; F717-F811 HydrophobicContact CZ-CZ 3.8Å; M721-F811 HydrophobicContact CE-CE1 3.94Å; M721-F811 HydrophobicContact CE-CZ 3.87Å; M721-F811 HydrophobicContact CG-CE1 3.8Å; M721-F811 HydrophobicContact CG-CZ 4.3Å; M721-F811 HydrophobicContact SD-CE1 4.02Å; M721-F811 HydrophobicContact SD-CZ 3.93Å; Q807-F811 WeakPolarHBondContact O-CB 3.28Å; Q807-F811 PolarHBondContact O-N 3.12Å; T808-F811 PolarHBondContact O-N 3.49Å; K809-F811 VanDerWaalsContact C-N 3.3Å; K809-F811 PolarHBondContact O-N 2.93Å; F811-D813 PolarHBondContact O-N 3.15Å; F811-G814 PolarHBondContact O-N 3.24Å; F811-F815 HydrophobicContact CE1-CB 4.46Å; F811-F815 HydrophobicContact CE1-CD2 4.42Å; F811-F815 HydrophobicContact CZ-CD2 4.42Å; F811-F815 VanDerWaalsContact O-CB 3.31Å; F811-F815 WeakPolarHBondContact O-CB 3.08Å; F811-F815 PolarHBondContact O-N 3.43Å
812	L	94.6	Very high	93.4	Very high	31 Å²	31	40.7 Å²	40.7	16%	0.162	22%	0.215	C	C	.	.	H	α-helix	trans	-65.5	-37.9	-179	-69.9	174	0	0	0	112.2	T808 K809 N816 L821	T808-L812 HydrophobicContact CG2-CD1 3.9Å; T808-L812 HydrophobicContact CG2-CG 4.34Å; T808-L812 WeakPolarHBondContact O-CB 3.36Å; T808-L812 VanDerWaalsContact O-CG 3.29Å; T808-L812 WeakPolarHBondContact O-CG 3.38Å; T808-L812 PolarHBondContact O-N 3.35Å; K809-L812 PolarHBondContact O-N 2.88Å; K809-L812 VanDerWaalsContact O-N 3.12Å; L812-N816 WeakPolarHBondContact O-CB 3.41Å; L812-N816 PolarHBondContact O-N 2.68Å; L812-L821 HydrophobicContact CD2-CD1 4.23Å; L812-L821 HydrophobicContact CD2-CD2 4.44Å
813	D	96.4	Very high	93.6	Very high	71 Å²	71	40 Å²	40	38%	0.38	21%	0.212	S	C	.	.	H	α-helix	trans	-58.3	-58.5	173.4	-66.8	-27.9	0	0	0	109.9	K809 F811 F815 N816 E817	K809-D813 IonicContact NZ-OD1 2.8Å; K809-D813 PolarHBondContact NZ-OD1 3.29Å; K809-D813 IonicContact NZ-OD2 2.74Å; K809-D813 PolarHBondContact NZ-OD2 2.84Å; K809-D813 WeakPolarHBondContact O-CB 3.32Å; K809-D813 PolarHBondContact O-N 2.97Å; F811-D813 PolarHBondContact O-N 3.15Å; D813-F815 VanDerWaalsContact C-N 3.28Å; D813-F815 PolarHBondContact O-N 2.88Å; D813-N816 PolarHBondContact O-N 2.82Å; D813-N816 VanDerWaalsContact O-N 3.15Å; D813-E817 WeakPolarHBondContact O-CG 3.39Å; D813-E817 PolarHBondContact O-N 3.33Å
814	G	97.4	Very high	94	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.5	-30.3	-178.5	0	0	0	0	0	113.9	R697 A810 F811	R697-G814 WeakPolarHBondContact CA-O 3.3Å; R697-G814 WeakPolarHBondContact CG-O 3.46Å; R697-G814 PolarHBondContact N-O 3.09Å; A810-G814 PolarHBondContact O-N 3.37Å; A810-G814 VanDerWaalsContact O-N 3.1Å; F811-G814 PolarHBondContact O-N 3.24Å
815	F	96.4	Very high	93.8	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-66	-54.2	170.6	-174.5	-77	0	0	0	111	G696 I699 A700 L703 M721 F811 D813 E817 V818 V819 L821 L824	G696-F815 WeakPolarHBondContact O-CA 3.11Å; I699-F815 HydrophobicContact CB-CD2 4.41Å; I699-F815 HydrophobicContact CG2-CD2 4.35Å; I699-F815 HydrophobicContact CG2-CE2 4.09Å; A700-F815 HydrophobicContact CB-CB 4.49Å; A700-F815 HydrophobicContact CB-CD1 4.35Å; A700-F815 HydrophobicContact CB-CD2 3.7Å; A700-F815 HydrophobicContact CB-CE1 4.48Å; A700-F815 HydrophobicContact CB-CE2 3.87Å; A700-F815 HydrophobicContact CB-CG 3.95Å; A700-F815 HydrophobicContact CB-CZ 4.25Å; A700-F815 WeakPolarHBondContact CB-O 3.46Å; L703-F815 HydrophobicContact CD1-CE2 3.72Å; L703-F815 HydrophobicContact CD1-CZ 3.56Å; M721-F815 HydrophobicContact CE-CD2 3.74Å; M721-F815 HydrophobicContact CE-CE2 3.42Å; M721-F815 VanDerWaalsContact CE-CE2 3.42Å; M721-F815 HydrophobicContact CE-CZ 4.11Å; F811-F815 HydrophobicContact CE1-CB 4.46Å; F811-F815 HydrophobicContact CE1-CD2 4.42Å; F811-F815 HydrophobicContact CZ-CD2 4.42Å; F811-F815 VanDerWaalsContact O-CB 3.31Å; F811-F815 WeakPolarHBondContact O-CB 3.08Å; F811-F815 PolarHBondContact O-N 3.43Å; D813-F815 VanDerWaalsContact C-N 3.28Å; D813-F815 PolarHBondContact O-N 2.88Å; F815-E817 VanDerWaalsContact C-N 3.27Å; F815-E817 PolarHBondContact O-N 3.14Å; F815-V818 PolarHBondContact O-N 3.29Å; F815-V819 WeakPolarHBondContact CD1-O 3.49Å; F815-V819 HydrophobicContact CE1-CB 3.85Å; F815-V819 HydrophobicContact CE1-CG1 3.91Å; F815-V819 VanDerWaalsContact CE1-O 3.31Å; F815-V819 WeakPolarHBondContact CE1-O 3.36Å; F815-V819 HydrophobicContact CZ-CB 4.16Å; F815-V819 HydrophobicContact CZ-CG1 4.19Å; F815-V819 PolarHBondContact O-N 3.48Å; F815-L821 HydrophobicContact CD1-CD2 3.44Å; F815-L821 VanDerWaalsContact CD1-CD2 3.44Å; F815-L821 HydrophobicContact CD1-CG 4.16Å; F815-L821 HydrophobicContact CE1-CD2 3.66Å; F815-L821 HydrophobicContact CG-CD2 4.36Å; F815-L824 HydrophobicContact CE1-CD1 4Å; F815-L824 HydrophobicContact CZ-CD1 3.83Å
816	N	96.2	Very high	93.4	Very high	75 Å²	75	39.2 Å²	39.2	40%	0.401	20%	0.2	S	C	.	.	H	α-helix	trans	-65	-28.8	-174.5	-172.1	73.6	0	0	0	113.1	L812 D813 V818 V819 P820 L821	L812-N816 WeakPolarHBondContact O-CB 3.41Å; L812-N816 PolarHBondContact O-N 2.68Å; D813-N816 PolarHBondContact O-N 2.82Å; D813-N816 VanDerWaalsContact O-N 3.15Å; N816-V818 PolarHBondContact O-N 3.21Å; N816-V819 WeakPolarHBondContact CA-O 3.04Å; N816-P820 WeakPolarHBondContact OD1-CA 3.45Å; N816-L821 HydrophobicContact CB-CD1 4.17Å; N816-L821 HydrophobicContact CB-CG 4.09Å; N816-L821 PolarHBondContact OD1-N 2.77Å
817	E	96.4	Very high	93.1	Very high	80 Å²	80	38 Å²	38	37%	0.374	19%	0.186	S	C	.	.	H	α-helix	trans	-56.4	-33.5	169.6	-78.8	-175.4	160.4	0	0	113.2	P624 R628 R697 D813 F815	P624-E817 HydrophobicContact CB-CB 3.69Å; P624-E817 HydrophobicContact CB-CG 4.49Å; P624-E817 WeakPolarHBondContact CB-O 3.43Å; P624-E817 HydrophobicContact CG-CB 3.8Å; P624-E817 HydrophobicContact CG-CG 4.09Å; P624-E817 WeakPolarHBondContact CG-OE2 3.46Å; R628-E817 PolarHBondContact NH2-O 3.22Å; R697-E817 IonicContact CZ-OE2 3.65Å; R697-E817 IonicContact NE-OE2 3.38Å; R697-E817 PolarHBondContact NE-OE2 3.27Å; R697-E817 IonicContact NH2-OE1 3.3Å; R697-E817 IonicContact NH2-OE2 3.5Å; R697-E817 PolarHBondContact NH2-OE2 3.2Å; D813-E817 WeakPolarHBondContact O-CG 3.39Å; D813-E817 PolarHBondContact O-N 3.33Å; F815-E817 VanDerWaalsContact C-N 3.27Å; F815-E817 PolarHBondContact O-N 3.14Å
818	V	97.3	Very high	92.7	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-102.8	-50.9	-176.3	180	0	0	0	0	111.6	P624 L627 R628 R697 A700 M701 F815 N816	P624-V818 HydrophobicContact CB-CG2 4.14Å; L627-V818 HydrophobicContact CB-CG1 4.44Å; L627-V818 HydrophobicContact CB-CG2 4.43Å; L627-V818 HydrophobicContact CD1-CG2 3.79Å; R628-V818 VanDerWaalsContact CZ-O 3.25Å; R628-V818 PolarHBondContact NE-O 2.89Å; R628-V818 PolarHBondContact NH2-O 3.09Å; R697-V818 HydrophobicContact CB-CG2 4.14Å; R697-V818 HydrophobicContact CG-CG2 3.94Å; A700-V818 HydrophobicContact CB-CB 3.71Å; A700-V818 HydrophobicContact CB-CG1 3.97Å; M701-V818 HydrophobicContact CG-CG1 4.18Å; F815-V818 PolarHBondContact O-N 3.29Å; N816-V818 PolarHBondContact O-N 3.21Å
819	V	95.8	Very high	92.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.183	C	C	.	.	S	Bend	trans	-120.3	110.9	174.6	172.3	0	0	0	0	108.3	F589 A700 F704 F815 N816 L821 W823	F589-V819 HydrophobicContact CE2-CG1 3.93Å; F589-V819 HydrophobicContact CZ-CG1 4.02Å; A700-V819 HydrophobicContact CB-CB 4Å; A700-V819 HydrophobicContact CB-CG2 3.94Å; A700-V819 VanDerWaalsContact O-CG2 3.31Å; A700-V819 WeakPolarHBondContact O-CG2 3.24Å; F704-V819 HydrophobicContact CB-CG2 3.89Å; F704-V819 HydrophobicContact CD2-CG2 4.08Å; F704-V819 HydrophobicContact CG-CG2 4.48Å; F815-V819 WeakPolarHBondContact CD1-O 3.49Å; F815-V819 HydrophobicContact CE1-CB 3.85Å; F815-V819 HydrophobicContact CE1-CG1 3.91Å; F815-V819 VanDerWaalsContact CE1-O 3.31Å; F815-V819 WeakPolarHBondContact CE1-O 3.36Å; F815-V819 HydrophobicContact CZ-CB 4.16Å; F815-V819 HydrophobicContact CZ-CG1 4.19Å; F815-V819 PolarHBondContact O-N 3.48Å; N816-V819 WeakPolarHBondContact CA-O 3.04Å; V819-L821 PolarHBondContact O-N 3.38Å; V819-W823 HydrophobicContact CG1-CE3 4.08Å
820	P	94.6	Very high	92.1	Very high	34 Å²	34	32.4 Å²	32.4	22%	0.221	16%	0.16	C	C	.	.			trans	-56.3	129	176.8	-25.6	35	0	0	0	111.6	N816 Q822 W823	N816-P820 WeakPolarHBondContact OD1-CA 3.45Å; P820-Q822 PolarHBondContact O-N 2.64Å; P820-Q822 VanDerWaalsContact O-N 3.09Å; P820-W823 HydrophobicContact CB-CG 4.45Å; P820-W823 HydrophobicContact CG-CD2 4.33Å; P820-W823 HydrophobicContact CG-CZ2 4Å; P820-W823 WeakPolarHBondContact O-CB 3.33Å; P820-W823 PolarHBondContact O-N 3.17Å
821	L	90.4	Very high	91.6	Very high	50 Å²	50	32 Å²	32	26%	0.262	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-59	-27.3	-176.8	-69.8	169.3	0	0	0	112.7	L812 F815 N816 V819 W823 L824	L812-L821 HydrophobicContact CD2-CD1 4.23Å; L812-L821 HydrophobicContact CD2-CD2 4.44Å; F815-L821 HydrophobicContact CD1-CD2 3.44Å; F815-L821 VanDerWaalsContact CD1-CD2 3.44Å; F815-L821 HydrophobicContact CD1-CG 4.16Å; F815-L821 HydrophobicContact CE1-CD2 3.66Å; F815-L821 HydrophobicContact CG-CD2 4.36Å; N816-L821 HydrophobicContact CB-CD1 4.17Å; N816-L821 HydrophobicContact CB-CG 4.09Å; N816-L821 PolarHBondContact OD1-N 2.77Å; V819-L821 PolarHBondContact O-N 3.38Å; L821-W823 PolarHBondContact O-N 2.88Å; L821-L824 WeakPolarHBondContact O-CB 3.24Å; L821-L824 PolarHBondContact O-N 2.7Å
822	Q	89.3	Confident	91.3	Very high	126 Å²	126	31.8 Å²	31.8	59%	0.589	16%	0.155	S	C	*	.	G	3₁₀ helix	trans	-56.6	-32.8	174.6	-160.1	70.9	26.6	0	0	113.1	P820 L824 Q825	P820-Q822 PolarHBondContact O-N 2.64Å; P820-Q822 VanDerWaalsContact O-N 3.09Å; Q822-L824 PolarHBondContact O-N 3.1Å; Q822-L824 VanDerWaalsContact O-N 3.12Å; Q822-Q825 VanDerWaalsContact O-CB 3.28Å; Q822-Q825 WeakPolarHBondContact O-CB 3.34Å; Q822-Q825 VanDerWaalsContact O-CG 3.27Å; Q822-Q825 WeakPolarHBondContact O-CG 3.23Å; Q822-Q825 PolarHBondContact O-N 2.96Å
823	W	90.3	Very high	91.1	Very high	43 Å²	43	30.4 Å²	30.4	16%	0.163	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-66.8	-13.1	178.1	-62.2	-2.6	0	0	0	112.9	F589 L592 N596 F704 V819 P820 L821	F589-W823 HydrophobicContact CD2-CB 4.09Å; F589-W823 HydrophobicContact CE2-CB 4.04Å; F589-W823 HydrophobicContact CE2-CE3 4.35Å; L592-W823 HydrophobicContact CB-CD2 4.17Å; L592-W823 HydrophobicContact CB-CE3 4.16Å; L592-W823 HydrophobicContact CB-CZ3 4.49Å; L592-W823 HydrophobicContact CD1-CB 4.08Å; L592-W823 HydrophobicContact CD1-CD2 4.27Å; L592-W823 HydrophobicContact CD1-CG 3.88Å; N596-W823 HydrophobicContact CB-CH2 3.63Å; N596-W823 HydrophobicContact CB-CZ2 4.26Å; F704-W823 HydrophobicContact CD2-CZ3 4.27Å; F704-W823 HydrophobicContact CE2-CH2 4.44Å; F704-W823 HydrophobicContact CE2-CZ3 4.12Å; V819-W823 HydrophobicContact CG1-CE3 4.08Å; P820-W823 HydrophobicContact CB-CG 4.45Å; P820-W823 HydrophobicContact CG-CD2 4.33Å; P820-W823 HydrophobicContact CG-CZ2 4Å; P820-W823 WeakPolarHBondContact O-CB 3.33Å; P820-W823 PolarHBondContact O-N 3.17Å; L821-W823 PolarHBondContact O-N 2.88Å
824	L	90.4	Very high	90.6	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.01	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-95.3	1.1	175.2	-58	-178.4	0	0	0	113.7	F589 L722 F815 L821 Q822 Y826 F827 L832 M835	F589-L824 HydrophobicContact CD2-CD2 4.02Å; F589-L824 HydrophobicContact CE2-CD2 3.62Å; F589-L824 HydrophobicContact CZ-CD2 4.27Å; L722-L824 HydrophobicContact CD2-CB 3.63Å; L722-L824 HydrophobicContact CD2-CD1 4.21Å; F815-L824 HydrophobicContact CE1-CD1 4Å; F815-L824 HydrophobicContact CZ-CD1 3.83Å; L821-L824 WeakPolarHBondContact O-CB 3.24Å; L821-L824 PolarHBondContact O-N 2.7Å; Q822-L824 PolarHBondContact O-N 3.1Å; Q822-L824 VanDerWaalsContact O-N 3.12Å; L824-Y826 PolarHBondContact O-N 3.43Å; L824-F827 HydrophobicContact CB-CD2 4.5Å; L824-F827 HydrophobicContact CD2-CD2 4.17Å; L824-F827 HydrophobicContact CD2-CE2 4.38Å; L824-F827 PolarHBondContact O-N 2.98Å; L824-L832 HydrophobicContact CD1-CD1 4.02Å; L824-L832 HydrophobicContact CD1-CD2 4.45Å; L824-L832 HydrophobicContact CD2-CD1 4.38Å; L824-M835 HydrophobicContact CD2-CE 4.49Å
825	Q	85.8	Confident	90.2	Very high	84 Å²	84	27.7 Å²	27.7	39%	0.393	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-29.5	-171.8	69.6	-174	-12.2	0	0	115.1	E536 Q822	E536-Q825 PolarHBondContact OE1-NE2 3.27Å; Q822-Q825 VanDerWaalsContact O-CB 3.28Å; Q822-Q825 WeakPolarHBondContact O-CB 3.34Å; Q822-Q825 VanDerWaalsContact O-CG 3.27Å; Q822-Q825 WeakPolarHBondContact O-CG 3.23Å; Q822-Q825 PolarHBondContact O-N 2.96Å
826	Y	82.8	Confident	89.9	Confident	30 Å²	30	27.7 Å²	27.7	12%	0.118	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-10.4	-178.8	-61.1	-59.9	0	0	0	114	G537 H553 N554 W584 K585 L824	G537-Y826 VanDerWaalsContact CA-OH 3.24Å; G537-Y826 WeakPolarHBondContact CA-OH 3.19Å; G537-Y826 PolarHBondContact N-OH 3.44Å; H553-Y826 HydrophobicContact CB-CD1 4.13Å; H553-Y826 HydrophobicContact CB-CE1 4.28Å; N554-Y826 WeakPolarHBondContact OD1-CE1 3.25Å; N554-Y826 PolarHBondContact OD1-OH 3Å; W584-Y826 HydrophobicContact CZ3-CD2 4.37Å; K585-Y826 WeakPolarHBondContact CD-O 3.39Å; K585-Y826 WeakPolarHBondContact CE-O 3.44Å; K585-Y826 PolarHBondContact NZ-O 2.99Å; L824-Y826 PolarHBondContact O-N 3.43Å
827	F	86.5	Confident	89.5	Confident	10 Å²	10	24.1 Å²	24.1	4%	0.044	12%	0.115	C	C	.	.			trans	-93.2	148.7	-172.6	-65.1	-86.5	0	0	0	113.2	F582 K585 F589 L824 E831 M835	F582-F827 HydrophobicContact CD2-CD1 4.32Å; F582-F827 HydrophobicContact CD2-CE1 4.18Å; F582-F827 HydrophobicContact CE2-CD1 4.3Å; F582-F827 HydrophobicContact CE2-CE1 4.08Å; K585-F827 VanDerWaalsContact C-CZ 3.41Å; K585-F827 HydrophobicContact CB-CD1 3.98Å; K585-F827 HydrophobicContact CB-CE1 3.38Å; K585-F827 HydrophobicContact CB-CE2 4.25Å; K585-F827 HydrophobicContact CB-CZ 3.58Å; K585-F827 HydrophobicContact CD-CD1 4.03Å; K585-F827 HydrophobicContact CD-CE1 4.27Å; K585-F827 HydrophobicContact CG-CE1 4.48Å; K585-F827 VanDerWaalsContact O-CZ 3.29Å; K585-F827 WeakPolarHBondContact O-CZ 3.45Å; F589-F827 HydrophobicContact CB-CE2 3.94Å; F589-F827 HydrophobicContact CB-CZ 3.79Å; F589-F827 HydrophobicContact CD2-CE2 4.25Å; F589-F827 HydrophobicContact CG-CE2 4.27Å; F589-F827 HydrophobicContact CG-CZ 4.34Å; L824-F827 HydrophobicContact CB-CD2 4.5Å; L824-F827 HydrophobicContact CD2-CD2 4.17Å; L824-F827 HydrophobicContact CD2-CE2 4.38Å; L824-F827 PolarHBondContact O-N 2.98Å; F827-E831 WeakPolarHBondContact CA-OE2 3.2Å; F827-E831 HydrophobicContact CB-CB 4.34Å; F827-E831 HydrophobicContact CD1-CB 3.87Å; F827-M835 HydrophobicContact CD1-SD 3.54Å; F827-M835 VanDerWaalsContact CD1-SD 3.54Å; F827-M835 HydrophobicContact CD2-SD 4.29Å; F827-M835 HydrophobicContact CE1-CE 3.85Å; F827-M835 HydrophobicContact CE1-CG 4.38Å; F827-M835 HydrophobicContact CE1-SD 3.32Å; F827-M835 WeakPolarHBondContact CE1-SD 3.39Å; F827-M835 HydrophobicContact CE2-CE 3.97Å; F827-M835 HydrophobicContact CE2-SD 4.11Å; F827-M835 HydrophobicContact CG-SD 4Å; F827-M835 HydrophobicContact CZ-CE 3.49Å; F827-M835 VanDerWaalsContact CZ-CE 3.49Å; F827-M835 HydrophobicContact CZ-SD 3.6Å; F827-M835 VanDerWaalsContact CZ-SD 3.6Å
828	D	86.8	Confident	88.9	Confident	12 Å²	12	20.5 Å²	20.5	6%	0.064	10%	0.099	C	C	.	.			trans	-94.3	164.7	164.2	72.7	59.4	0	0	0	112.7	K830 E831 L832 R880	D828-K830 PolarHBondContact O-N 3.21Å; D828-K830 WeakPolarHBondContact OD1-CA 3.44Å; D828-K830 VanDerWaalsContact OD1-CB 3.27Å; D828-K830 WeakPolarHBondContact OD1-CB 3.26Å; D828-K830 PolarHBondContact OD1-N 2.82Å; D828-E831 PolarHBondContact N-OE2 2.99Å; D828-E831 WeakPolarHBondContact O-CB 3.15Å; D828-E831 PolarHBondContact O-N 3.4Å; D828-E831 VanDerWaalsContact O-N 3.1Å; D828-E831 PolarHBondContact OD1-N 2.86Å; D828-E831 VanDerWaalsContact OD2-CD 3.29Å; D828-E831 WeakPolarHBondContact OD2-CG 3.44Å; D828-L832 PolarHBondContact O-N 3.19Å; D828-R880 VanDerWaalsContact CG-NH1 3.35Å; D828-R880 IonicContact OD1-CZ 3.52Å; D828-R880 IonicContact OD1-NH1 3.81Å; D828-R880 PolarHBondContact OD1-NH1 2.99Å; D828-R880 IonicContact OD1-NH2 3.73Å; D828-R880 IonicContact OD2-CZ 2.76Å; D828-R880 IonicContact OD2-NH1 3.68Å; D828-R880 PolarHBondContact OD2-NH1 3.42Å; D828-R880 IonicContact OD2-NH2 3.61Å; D828-R880 PolarHBondContact OD2-NH2 3.34Å
829	E	86.9	Confident	88	Confident	7 Å²	7	21 Å²	21	3%	0.033	10%	0.101	C	C	.	.	H	α-helix	trans	-60.9	-25.8	-174.7	56.3	-86.6	-162.4	0	0	113.8	K719 L722 K724 E833	K719-E829 HydrophobicContact CD-CG 4.46Å; K719-E829 WeakPolarHBondContact CE-OE1 3.08Å; K719-E829 HydrophobicContact CG-CB 3.75Å; K719-E829 HydrophobicContact CG-CG 3.72Å; K719-E829 IonicContact NZ-OE1 3.04Å; L722-E829 HydrophobicContact CD1-CB 4.18Å; L722-E829 VanDerWaalsContact CD1-N 3.32Å; K724-E829 WeakPolarHBondContact CD-OE2 3.36Å; K724-E829 WeakPolarHBondContact CE-OE2 3.5Å; K724-E829 IonicContact NZ-OE2 2.69Å; K724-E829 PolarHBondContact NZ-OE2 3.33Å; E829-E833 PolarHBondContact O-N 3.43Å; E829-E833 VanDerWaalsContact O-N 3.14Å
830	K	85.8	Confident	87.3	Confident	10 Å²	10	22.6 Å²	22.6	4%	0.043	11%	0.109	C	C	.	.	H	α-helix	trans	-84.9	-34.1	176.4	-71.1	170	-175.6	169.8	0	111.5	L715 D828 E833 V834 Q883 T951	L715-K830 HydrophobicContact CD1-CG 4.37Å; L715-K830 HydrophobicContact CD2-CG 3.89Å; D828-K830 PolarHBondContact O-N 3.21Å; D828-K830 WeakPolarHBondContact OD1-CA 3.44Å; D828-K830 VanDerWaalsContact OD1-CB 3.27Å; D828-K830 WeakPolarHBondContact OD1-CB 3.26Å; D828-K830 PolarHBondContact OD1-N 2.82Å; K830-E833 PolarHBondContact O-N 2.89Å; K830-V834 WeakPolarHBondContact O-CG2 3.48Å; K830-V834 PolarHBondContact O-N 2.96Å; K830-Q883 VanDerWaalsContact CB-NE2 3.34Å; K830-Q883 HydrophobicContact CD-CB 4.05Å; K830-Q883 HydrophobicContact CG-CB 4.22Å; K830-Q883 PolarHBondContact O-NE2 3.49Å; K830-T951 VanDerWaalsContact NZ-CB 3.27Å; K830-T951 VanDerWaalsContact NZ-CG2 3.34Å; K830-T951 PolarHBondContact NZ-OG1 2.91Å
831	E	87.4	Confident	86.7	Confident	2 Å²	2	27.2 Å²	27.2	1%	0.009	13%	0.128	C	C	.	.	H	α-helix	trans	-64.6	-43.5	169.7	-67.2	172.6	151	0	0	110.6	F582 K585 F827 D828 E833 V834 M835 R880	F582-E831 HydrophobicContact CB-CG 4.45Å; F582-E831 HydrophobicContact CD2-CB 3.65Å; F582-E831 HydrophobicContact CD2-CG 3.52Å; F582-E831 HydrophobicContact CE2-CB 3.68Å; F582-E831 HydrophobicContact CE2-CG 4.06Å; F582-E831 HydrophobicContact CG-CG 4.18Å; K585-E831 IonicContact NZ-OE1 2.66Å; K585-E831 PolarHBondContact NZ-OE1 3.48Å; K585-E831 IonicContact NZ-OE2 3.56Å; K585-E831 PolarHBondContact NZ-OE2 3.27Å; F827-E831 WeakPolarHBondContact CA-OE2 3.2Å; F827-E831 HydrophobicContact CB-CB 4.34Å; F827-E831 HydrophobicContact CD1-CB 3.87Å; D828-E831 PolarHBondContact N-OE2 2.99Å; D828-E831 WeakPolarHBondContact O-CB 3.15Å; D828-E831 PolarHBondContact O-N 3.4Å; D828-E831 VanDerWaalsContact O-N 3.1Å; D828-E831 PolarHBondContact OD1-N 2.86Å; D828-E831 VanDerWaalsContact OD2-CD 3.29Å; D828-E831 WeakPolarHBondContact OD2-CG 3.44Å; E831-E833 VanDerWaalsContact C-N 3.34Å; E831-E833 PolarHBondContact O-N 3.42Å; E831-V834 PolarHBondContact O-N 3.03Å; E831-V834 VanDerWaalsContact O-N 3.13Å; E831-M835 VanDerWaalsContact O-CG 3.28Å; E831-M835 WeakPolarHBondContact O-CG 3.38Å; E831-M835 PolarHBondContact O-N 3.43Å; E831-R880 VanDerWaalsContact CD-NH2 3.32Å; E831-R880 IonicContact OE1-NH2 3Å; E831-R880 PolarHBondContact OE1-NH2 2.98Å
832	L	90.1	Very high	86.5	Confident	0 Å²	0	25 Å²	25	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-61.9	-40	175.2	-178.5	60	0	0	0	112.1	L703 Y718 M721 L722 L824 D828 M835 L836	L703-L832 HydrophobicContact CD1-CD1 3.93Å; L703-L832 HydrophobicContact CD2-CD1 4.32Å; Y718-L832 HydrophobicContact CD1-CD2 3.98Å; Y718-L832 HydrophobicContact CD1-CG 4Å; M721-L832 HydrophobicContact CB-CD2 3.88Å; M721-L832 HydrophobicContact CE-CD2 4.2Å; M721-L832 HydrophobicContact SD-CD2 4.15Å; L722-L832 HydrophobicContact CD1-CB 4.35Å; L722-L832 HydrophobicContact CD1-CD2 4.22Å; L722-L832 HydrophobicContact CD2-CD2 3.95Å; L722-L832 HydrophobicContact CG-CD2 3.79Å; L824-L832 HydrophobicContact CD1-CD1 4.02Å; L824-L832 HydrophobicContact CD1-CD2 4.45Å; L824-L832 HydrophobicContact CD2-CD1 4.38Å; D828-L832 PolarHBondContact O-N 3.19Å; L832-M835 PolarHBondContact O-N 3.42Å; L832-L836 HydrophobicContact CD1-CD1 4.24Å; L832-L836 HydrophobicContact CG-CD1 4.35Å; L832-L836 PolarHBondContact O-N 3.47Å
833	E	89.8	Confident	86.6	Confident	2 Å²	2	23.2 Å²	23.2	1%	0.009	11%	0.11	C	C	.	.	H	α-helix	trans	-57.2	-50.4	169.8	-171.7	-164.6	-169.4	0	0	110.9	Y718 E829 K830 E831 M835 L836 C837 Q883 T888 C889	Y718-E833 HydrophobicContact CD2-CB 4.01Å; Y718-E833 HydrophobicContact CD2-CG 4.4Å; Y718-E833 HydrophobicContact CE2-CB 3.69Å; Y718-E833 HydrophobicContact CE2-CG 3.65Å; E829-E833 PolarHBondContact O-N 3.43Å; E829-E833 VanDerWaalsContact O-N 3.14Å; K830-E833 PolarHBondContact O-N 2.89Å; E831-E833 VanDerWaalsContact C-N 3.34Å; E831-E833 PolarHBondContact O-N 3.42Å; E833-M835 VanDerWaalsContact C-N 3.34Å; E833-M835 PolarHBondContact O-N 3.36Å; E833-L836 PolarHBondContact O-N 3.2Å; E833-L836 VanDerWaalsContact O-N 3.1Å; E833-C837 WeakPolarHBondContact O-CB 3.48Å; E833-C837 PolarHBondContact O-N 2.73Å; E833-Q883 PolarHBondContact OE2-NE2 2.9Å; E833-T888 WeakPolarHBondContact OE1-CA 3.29Å; E833-T888 WeakPolarHBondContact OE1-CB 3.49Å; E833-T888 PolarHBondContact OE1-OG1 2.97Å; E833-C889 VanDerWaalsContact CD-N 3.27Å; E833-C889 PolarHBondContact OE1-N 3.3Å; E833-C889 PolarHBondContact OE2-N 2.89Å
834	V	86.9	Confident	86.7	Confident	10 Å²	10	22.5 Å²	22.5	6%	0.061	11%	0.11	C	C	.	.	H	α-helix	trans	-63.9	-35.5	-179.8	172.4	0	0	0	0	112.5	F582 K830 E831 L836 G838 M839 C889	F582-V834 HydrophobicContact CE1-CB 4.49Å; F582-V834 HydrophobicContact CE1-CG1 3.73Å; F582-V834 HydrophobicContact CZ-CB 4.13Å; F582-V834 HydrophobicContact CZ-CG1 3.71Å; K830-V834 WeakPolarHBondContact O-CG2 3.48Å; K830-V834 PolarHBondContact O-N 2.96Å; E831-V834 PolarHBondContact O-N 3.03Å; E831-V834 VanDerWaalsContact O-N 3.13Å; V834-L836 VanDerWaalsContact C-N 3.26Å; V834-L836 PolarHBondContact O-N 3.39Å; V834-G838 VanDerWaalsContact O-CA 3.3Å; V834-G838 WeakPolarHBondContact O-CA 3.44Å; V834-G838 PolarHBondContact O-N 2.87Å; V834-M839 HydrophobicContact CG1-CG 3.36Å; V834-M839 HydrophobicContact CG1-SD 4.19Å; V834-C889 HydrophobicContact CG2-CB 3.77Å
835	M	88.1	Confident	86.9	Confident	5 Å²	5	29 Å²	29	3%	0.025	14%	0.14	C	C	.	.	H	α-helix	trans	-63.7	-30.7	174.4	-68.8	171.9	83.1	0	0	113	F582 L586 F589 L703 L824 F827 E831 L832 E833	F582-M835 HydrophobicContact CE2-CG 3.86Å; F582-M835 HydrophobicContact CZ-CG 4.05Å; L586-M835 HydrophobicContact CD1-CE 4.11Å; L586-M835 HydrophobicContact CD1-CG 4.28Å; F589-M835 HydrophobicContact CB-CE 4.22Å; F589-M835 HydrophobicContact CD1-CE 3.39Å; F589-M835 HydrophobicContact CD2-CE 4.23Å; F589-M835 HydrophobicContact CE1-CE 3.74Å; F589-M835 HydrophobicContact CG-CE 3.67Å; F589-M835 HydrophobicContact CZ-CE 4.31Å; L703-M835 HydrophobicContact CD2-CB 3.59Å; L703-M835 HydrophobicContact CD2-CE 4.08Å; L703-M835 HydrophobicContact CD2-SD 4.49Å; L824-M835 HydrophobicContact CD2-CE 4.49Å; F827-M835 HydrophobicContact CD1-SD 3.54Å; F827-M835 VanDerWaalsContact CD1-SD 3.54Å; F827-M835 HydrophobicContact CD2-SD 4.29Å; F827-M835 HydrophobicContact CE1-CE 3.85Å; F827-M835 HydrophobicContact CE1-CG 4.38Å; F827-M835 HydrophobicContact CE1-SD 3.32Å; F827-M835 WeakPolarHBondContact CE1-SD 3.39Å; F827-M835 HydrophobicContact CE2-CE 3.97Å; F827-M835 HydrophobicContact CE2-SD 4.11Å; F827-M835 HydrophobicContact CG-SD 4Å; F827-M835 HydrophobicContact CZ-CE 3.49Å; F827-M835 VanDerWaalsContact CZ-CE 3.49Å; F827-M835 HydrophobicContact CZ-SD 3.6Å; F827-M835 VanDerWaalsContact CZ-SD 3.6Å; E831-M835 VanDerWaalsContact O-CG 3.28Å; E831-M835 WeakPolarHBondContact O-CG 3.38Å; E831-M835 PolarHBondContact O-N 3.43Å; L832-M835 PolarHBondContact O-N 3.42Å; E833-M835 VanDerWaalsContact C-N 3.34Å; E833-M835 PolarHBondContact O-N 3.36Å
836	L	90.1	Very high	87.4	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-91.8	-43.6	-178.8	-80.1	167.7	0	0	0	112.9	I699 A702 L703 F708 I709 Y718 L832 E833 V834	I699-L836 HydrophobicContact CG2-CD1 3.83Å; I699-L836 HydrophobicContact CG2-CD2 3.72Å; I699-L836 HydrophobicContact CG2-CG 4.46Å; A702-L836 HydrophobicContact CB-CD2 4.15Å; L703-L836 HydrophobicContact CD1-CD2 4.19Å; L703-L836 HydrophobicContact CD1-CG 4.36Å; L703-L836 HydrophobicContact CD2-CD2 4.05Å; L703-L836 HydrophobicContact CD2-CG 3.96Å; L703-L836 HydrophobicContact CG-CD2 3.66Å; L703-L836 HydrophobicContact CG-CG 4.05Å; F708-L836 CarbonylContact C-O 3.47Å; F708-L836 WeakPolarHBondContact CA-O 3.31Å; F708-L836 WeakPolarHBondContact CB-O 3.36Å; I709-L836 HydrophobicContact CD1-CB 4.14Å; I709-L836 HydrophobicContact CD1-CD2 3.86Å; I709-L836 HydrophobicContact CD1-CG 4.42Å; I709-L836 HydrophobicContact CG1-CB 4.03Å; I709-L836 HydrophobicContact CG1-CD2 4.15Å; I709-L836 WeakPolarHBondContact CG1-O 3.17Å; I709-L836 PolarHBondContact N-O 2.81Å; Y718-L836 HydrophobicContact CD1-CD1 4.35Å; Y718-L836 HydrophobicContact CE1-CD1 3.62Å; L832-L836 HydrophobicContact CD1-CD1 4.24Å; L832-L836 HydrophobicContact CG-CD1 4.35Å; L832-L836 PolarHBondContact O-N 3.47Å; E833-L836 PolarHBondContact O-N 3.2Å; E833-L836 VanDerWaalsContact O-N 3.1Å; V834-L836 VanDerWaalsContact C-N 3.26Å; V834-L836 PolarHBondContact O-N 3.39Å
837	C	88.1	Confident	88	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-84.2	-22	-177.4	-62.7	0	0	0	0	113.3	R476 I709 E833 R890	R476-C837 WeakPolarHBondContact CD-O 3.26Å; R476-C837 PolarHBondContact NH1-O 2.78Å; I709-C837 WeakPolarHBondContact O-CA 3.18Å; E833-C837 WeakPolarHBondContact O-CB 3.48Å; E833-C837 PolarHBondContact O-N 2.73Å; C837-R890 HydrophobicContact CB-CG 3.94Å
838	G	83.5	Confident	88.5	Confident	3 Å²	3	26.6 Å²	26.6	3%	0.031	13%	0.131	C	C	.	.			trans	82.9	161.2	-173.4	0	0	0	0	0	113.2	F708 V834	F708-G838 VanDerWaalsContact CD1-CA 3.45Å; V834-G838 VanDerWaalsContact O-CA 3.3Å; V834-G838 WeakPolarHBondContact O-CA 3.44Å; V834-G838 PolarHBondContact O-N 2.87Å
839	M	79	Confident	89	Confident	11 Å²	11	33.3 Å²	33.3	5%	0.054	16%	0.155	C	C	.	.			trans	-87.9	136.9	175.1	-63.8	177	81.7	0	0	110.2	R476 Y479 S480 M483 F582 V834 E876 L879	R476-M839 WeakPolarHBondContact CA-O 3.42Å; Y479-M839 HydrophobicContact CD1-CB 4.02Å; Y479-M839 HydrophobicContact CE1-CB 4.39Å; S480-M839 PolarHBondContact OG-N 3.42Å; M483-M839 HydrophobicContact CE-CE 3.83Å; M483-M839 HydrophobicContact CE-SD 4.35Å; M483-M839 HydrophobicContact SD-CE 3.68Å; M483-M839 HydrophobicContact SD-SD 3.65Å; M483-M839 VanDerWaalsContact SD-SD 3.65Å; F582-M839 HydrophobicContact CE1-SD 4.18Å; V834-M839 HydrophobicContact CG1-CG 3.36Å; V834-M839 HydrophobicContact CG1-SD 4.19Å; M839-E876 HydrophobicContact CE-CB 4.18Å; M839-E876 HydrophobicContact CE-CG 4.18Å; M839-L879 HydrophobicContact CB-CD1 3.98Å; M839-L879 HydrophobicContact CE-CD1 3.84Å; M839-L879 HydrophobicContact CG-CD1 4.07Å
840	Q	80	Confident	89.5	Confident	34 Å²	34	34 Å²	34	16%	0.159	16%	0.159	C	C	.	.			trans	-119	147.2	171.4	54.3	174.8	96.2	0	0	110.5	R476 N875 L879	R476-Q840 HydrophobicContact CG-CB 4.31Å; Q840-N875 PolarHBondContact O-ND2 3.05Å; Q840-L879 HydrophobicContact CG-CD2 4.26Å
841	E	82.6	Confident	90.1	Very high	131 Å²	131	33.8 Å²	33.8	61%	0.612	16%	0.159	S	C	*	.			trans	-68.4	134.9	170.9	-170.6	165.2	-161.1	0	0	110.1	Y479	Y479-E841 HydrophobicContact CD2-CB 3.92Å; Y479-E841 HydrophobicContact CE2-CB 3.74Å; Y479-E841 HydrophobicContact CE2-CG 4.12Å
842	V	87	Confident	90.6	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.018	18%	0.177	C	C	.	.			trans	-96.2	108.9	-178.6	-174.6	0	0	0	0	109.9	L844 W847 N875 R878 L879 F896	V842-L844 PolarHBondContact O-N 3.44Å; V842-W847 HydrophobicContact CG1-CD2 4.37Å; V842-W847 HydrophobicContact CG1-CE3 3.5Å; V842-W847 HydrophobicContact CG1-CZ3 3.78Å; V842-N875 PolarHBondContact N-OD1 3.26Å; V842-R878 HydrophobicContact CB-CB 4.34Å; V842-R878 HydrophobicContact CG2-CB 4.16Å; V842-L879 HydrophobicContact CG2-CD2 3.75Å; V842-L879 HydrophobicContact CG2-CG 4.09Å; V842-F896 HydrophobicContact CG1-CE2 3.91Å; V842-F896 HydrophobicContact CG1-CZ 3.87Å
843	D	90.3	Very high	91	Very high	88 Å²	88	39.1 Å²	39.1	47%	0.471	19%	0.186	S	C	.	.			trans	-64.8	103.4	174.3	-178.1	-5.3	0	0	0	110.7	Q845 D846 W847	D843-Q845 VanDerWaalsContact C-N 3.27Å; D843-Q845 PolarHBondContact O-N 2.88Å; D843-Q845 WeakPolarHBondContact OD1-CA 3.48Å; D843-Q845 VanDerWaalsContact OD1-CB 3.3Å; D843-Q845 WeakPolarHBondContact OD1-CB 3.43Å; D843-Q845 PolarHBondContact OD1-N 3.43Å; D843-D846 HydrophobicContact CB-CB 4.07Å; D843-D846 PolarHBondContact O-N 3.24Å; D843-D846 PolarHBondContact OD1-N 2.88Å; D843-D846 VanDerWaalsContact OD1-N 3.15Å; D843-W847 WeakPolarHBondContact O-CB 3.4Å; D843-W847 PolarHBondContact O-N 2.58Å
844	L	93.6	Very high	91.3	Very high	29 Å²	29	44.7 Å²	44.7	15%	0.152	21%	0.207	C	C	.	.	H	α-helix	trans	-65.6	-27.2	178.1	-61	-170.1	0	0	0	113.3	V842 W847 Q848 V870 K871 R878	V842-L844 PolarHBondContact O-N 3.44Å; L844-W847 HydrophobicContact CD2-CE3 4.09Å; L844-Q848 WeakPolarHBondContact O-CB 3.19Å; L844-Q848 PolarHBondContact O-N 2.79Å; L844-V870 HydrophobicContact CD2-CG1 3.49Å; L844-V870 VanDerWaalsContact CD2-CG1 3.49Å; L844-K871 HydrophobicContact CD1-CB 4.43Å; L844-K871 HydrophobicContact CD1-CG 3.75Å; L844-R878 HydrophobicContact CD2-CG 4.47Å
845	Q	94.2	Very high	91.8	Very high	138 Å²	138	51.7 Å²	51.7	65%	0.645	24%	0.239	S	C	*	.	H	α-helix	trans	-73.6	-43.8	176.5	-56.5	-166.3	32.9	0	0	110.7	D843 R849	D843-Q845 VanDerWaalsContact C-N 3.27Å; D843-Q845 PolarHBondContact O-N 2.88Å; D843-Q845 WeakPolarHBondContact OD1-CA 3.48Å; D843-Q845 VanDerWaalsContact OD1-CB 3.3Å; D843-Q845 WeakPolarHBondContact OD1-CB 3.43Å; D843-Q845 PolarHBondContact OD1-N 3.43Å; Q845-R849 WeakPolarHBondContact O-CB 3.44Å; Q845-R849 PolarHBondContact O-N 2.88Å
846	D	95.4	Very high	92.3	Very high	27 Å²	27	52.3 Å²	52.3	14%	0.144	24%	0.241	C	C	.	.	H	α-helix	trans	-63.7	-47.9	174.5	-175.3	42.9	0	0	0	111.7	D843 Q848 R849 N850 F896	D843-D846 HydrophobicContact CB-CB 4.07Å; D843-D846 PolarHBondContact O-N 3.24Å; D843-D846 PolarHBondContact OD1-N 2.88Å; D843-D846 VanDerWaalsContact OD1-N 3.15Å; D846-Q848 PolarHBondContact O-N 3.06Å; D846-R849 WeakPolarHBondContact O-CB 3.31Å; D846-R849 PolarHBondContact O-N 3.4Å; D846-R849 VanDerWaalsContact O-N 3.14Å; D846-N850 WeakPolarHBondContact O-CB 3.34Å; D846-N850 PolarHBondContact O-N 2.83Å; D846-N850 PolarHBondContact OD1-ND2 3.15Å; D846-F896 HydrophobicContact CB-CD2 4.45Å; D846-F896 WeakPolarHBondContact OD2-CB 3.5Å; D846-F896 WeakPolarHBondContact OD2-CD2 3.35Å; D846-F896 PolarHBondContact OD2-N 2.93Å
847	W	96.6	Very high	92.7	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-56.8	-47.1	177.3	-163.4	2.4	0	0	0	111.9	V842 D843 L844 R849 N850 T851 W867 V870 R878 L881 M882 F896 F908	V842-W847 HydrophobicContact CG1-CD2 4.37Å; V842-W847 HydrophobicContact CG1-CE3 3.5Å; V842-W847 HydrophobicContact CG1-CZ3 3.78Å; D843-W847 WeakPolarHBondContact O-CB 3.4Å; D843-W847 PolarHBondContact O-N 2.58Å; L844-W847 HydrophobicContact CD2-CE3 4.09Å; W847-R849 PolarHBondContact O-N 3.26Å; W847-N850 PolarHBondContact O-N 2.91Å; W847-T851 WeakPolarHBondContact O-CB 3.33Å; W847-T851 PolarHBondContact O-N 2.92Å; W847-T851 PolarHBondContact O-OG1 2.91Å; W847-W867 HydrophobicContact CB-CH2 4.06Å; W847-W867 HydrophobicContact CB-CZ3 4.24Å; W847-W867 AromaticContact CD1-CH2 3.72Å; W847-W867 AromaticContact CD2-CH2 4Å; W847-W867 HydrophobicContact CD2-CH2 4Å; W847-W867 HydrophobicContact CD2-CZ3 4.1Å; W847-W867 HydrophobicContact CE3-CZ3 4.39Å; W847-W867 AromaticContact CG-CH2 3.63Å; W847-W867 HydrophobicContact CG-CH2 3.63Å; W847-W867 HydrophobicContact CG-CZ3 4.02Å; W847-V870 HydrophobicContact CE3-CG1 4.17Å; W847-V870 HydrophobicContact CZ3-CG1 4.01Å; W847-R878 HydrophobicContact CZ3-CB 4.31Å; W847-L881 HydrophobicContact CH2-CB 4.46Å; W847-L881 HydrophobicContact CH2-CD2 3.9Å; W847-L881 HydrophobicContact CH2-CG 4.05Å; W847-L881 HydrophobicContact CZ2-CD2 4.41Å; W847-L881 HydrophobicContact CZ2-CG 4.43Å; W847-M882 HydrophobicContact CH2-CB 4.48Å; W847-F896 HydrophobicContact CB-CD1 4.4Å; W847-F896 HydrophobicContact CB-CD2 3.7Å; W847-F896 HydrophobicContact CB-CE1 4.25Å; W847-F896 HydrophobicContact CB-CE2 3.52Å; W847-F896 HydrophobicContact CB-CG 4.14Å; W847-F896 HydrophobicContact CB-CZ 3.81Å; W847-F896 AromaticContact CD1-CD1 3.54Å; W847-F896 AromaticContact CD1-CE1 3.37Å; W847-F896 AromaticContact CD1-CZ 3.75Å; W847-F896 AromaticContact CD2-CE1 3.86Å; W847-F896 HydrophobicContact CD2-CE1 3.86Å; W847-F896 HydrophobicContact CD2-CE2 4.18Å; W847-F896 AromaticContact CD2-CZ 3.56Å; W847-F896 HydrophobicContact CD2-CZ 3.56Å; W847-F896 AromaticContact CE2-CE1 3.81Å; W847-F896 AromaticContact CE2-CZ 3.94Å; W847-F896 HydrophobicContact CE3-CZ 4.06Å; W847-F896 AromaticContact CG-CD1 4Å; W847-F896 HydrophobicContact CG-CD1 4Å; W847-F896 HydrophobicContact CG-CD2 4.12Å; W847-F896 AromaticContact CG-CE1 3.6Å; W847-F896 HydrophobicContact CG-CE1 3.6Å; W847-F896 AromaticContact CG-CE2 3.73Å; W847-F896 HydrophobicContact CG-CE2 3.73Å; W847-F896 HydrophobicContact CG-CG 4.24Å; W847-F896 AromaticContact CG-CZ 3.45Å; W847-F896 HydrophobicContact CG-CZ 3.45Å; W847-F896 VanDerWaalsContact CG-CZ 3.45Å; W847-F896 AromaticContact NE1-CE1 3.53Å; W847-F908 AromaticContact CE2-CE2 3.78Å; W847-F908 AromaticContact CE2-CZ 3.86Å; W847-F908 HydrophobicContact CZ2-CD2 4.32Å; W847-F908 HydrophobicContact CZ2-CE1 4.46Å; W847-F908 AromaticContact CZ2-CE2 3.57Å; W847-F908 HydrophobicContact CZ2-CE2 3.57Å; W847-F908 AromaticContact CZ2-CZ 3.67Å; W847-F908 HydrophobicContact CZ2-CZ 3.67Å; W847-F908 AromaticContact NE1-CD1 3.46Å; W847-F908 AromaticContact NE1-CD2 3.33Å; W847-F908 VanDerWaalsContact NE1-CD2 3.33Å; W847-F908 AromaticContact NE1-CE1 3.52Å; W847-F908 AromaticContact NE1-CE2 3.37Å; W847-F908 AromaticContact NE1-CG 3.37Å; W847-F908 AromaticContact NE1-CZ 3.48Å
848	Q	96.6	Very high	93	Very high	46 Å²	46	62.5 Å²	62.5	22%	0.215	29%	0.289	C	S	.	.	H	α-helix	trans	-71.5	-27.4	179.3	-173.8	166.2	42.6	0	0	113.4	L844 D846 R858 W867	L844-Q848 WeakPolarHBondContact O-CB 3.19Å; L844-Q848 PolarHBondContact O-N 2.79Å; D846-Q848 PolarHBondContact O-N 3.06Å; Q848-R858 PolarHBondContact O-NH2 3.01Å; Q848-W867 HydrophobicContact CB-CD2 4.08Å; Q848-W867 HydrophobicContact CB-CE3 4.01Å; Q848-W867 HydrophobicContact CB-CH2 4.02Å; Q848-W867 HydrophobicContact CB-CZ2 4.08Å; Q848-W867 HydrophobicContact CB-CZ3 3.97Å; Q848-W867 HydrophobicContact CG-CD2 3.87Å; Q848-W867 HydrophobicContact CG-CE3 4.29Å; Q848-W867 HydrophobicContact CG-CG 4.21Å; Q848-W867 HydrophobicContact CG-CZ2 4.26Å; Q848-W867 VanDerWaalsContact NE2-CB 3.35Å
849	R	97.1	Very high	93.7	Very high	154 Å²	154	68.9 Å²	68.9	58%	0.581	32%	0.322	S	S	*	.	H	α-helix	trans	-72.8	-41.5	175.5	-173.8	-166.9	-40.6	-90.9	-3.3	111.6	Q845 D846 W847	Q845-R849 WeakPolarHBondContact O-CB 3.44Å; Q845-R849 PolarHBondContact O-N 2.88Å; D846-R849 WeakPolarHBondContact O-CB 3.31Å; D846-R849 PolarHBondContact O-N 3.4Å; D846-R849 VanDerWaalsContact O-N 3.14Å; W847-R849 PolarHBondContact O-N 3.26Å
850	N	97.3	Very high	94.6	Very high	20 Å²	20	69.6 Å²	69.6	11%	0.107	33%	0.328	C	S	.	.	H	α-helix	trans	-95.7	-8.2	-174.1	-82.4	-64.8	0	0	0	115.3	D846 W847 F896 A897 K907	D846-N850 WeakPolarHBondContact O-CB 3.34Å; D846-N850 PolarHBondContact O-N 2.83Å; D846-N850 PolarHBondContact OD1-ND2 3.15Å; W847-N850 PolarHBondContact O-N 2.91Å; N850-F896 HydrophobicContact CB-CB 3.83Å; N850-A897 WeakPolarHBondContact OD1-CA 3.05Å; N850-K907 HydrophobicContact CB-CD 4.42Å; N850-K907 WeakPolarHBondContact O-CD 3.48Å; N850-K907 PolarHBondContact OD1-NZ 3.48Å
851	T	98.1	Very high	95.5	Very high	7 Å²	7	74.8 Å²	74.8	4%	0.043	35%	0.35	C	S	.	.			trans	-67.7	130.7	172.9	-66.7	0	0	0	0	112.7	W847 Y853 W867 F908 I910	W847-T851 WeakPolarHBondContact O-CB 3.33Å; W847-T851 PolarHBondContact O-N 2.92Å; W847-T851 PolarHBondContact O-OG1 2.91Å; T851-Y853 HydrophobicContact CG2-CD1 4.38Å; T851-Y853 HydrophobicContact CG2-CE1 3.69Å; T851-Y853 HydrophobicContact CG2-CE2 4.25Å; T851-Y853 WeakPolarHBondContact O-CE2 3.48Å; T851-W867 HydrophobicContact CG2-CZ2 4.06Å; T851-W867 WeakPolarHBondContact OG1-CZ2 3.39Å; T851-F908 WeakPolarHBondContact CA-O 3.17Å; T851-F908 HydrophobicContact CG2-CD1 3.8Å; T851-F908 HydrophobicContact CG2-CE1 4.36Å; T851-F908 WeakPolarHBondContact OG1-CD1 3.2Å; T851-I910 HydrophobicContact CG2-CD1 4.26Å; T851-I910 HydrophobicContact CG2-CG1 4.1Å
852	V	97.6	Very high	96.2	Very high	66 Å²	66	70 Å²	70	40%	0.4	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	158.2	171.6	-60	0	0	0	0	111.9	F908 C909 I910	V852-F908 WeakPolarHBondContact CG2-O 3.29Å; V852-F908 PolarHBondContact N-O 2.87Å; V852-C909 HydrophobicContact CG2-CB 3.74Å; V852-C909 WeakPolarHBondContact O-CA 3.44Å; V852-I910 PolarHBondContact O-N 2.9Å
853	Y	98.1	Very high	96.8	Very high	48 Å²	48	69.8 Å²	69.8	19%	0.188	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	138.7	-174.9	-53.6	-81.7	0	0	0	111.1	T851 Y856 R858 I863 W867 I910	T851-Y853 HydrophobicContact CG2-CD1 4.38Å; T851-Y853 HydrophobicContact CG2-CE1 3.69Å; T851-Y853 HydrophobicContact CG2-CE2 4.25Å; T851-Y853 WeakPolarHBondContact O-CE2 3.48Å; Y853-Y856 WeakPolarHBondContact CB-O 3.33Å; Y853-R858 HydrophobicContact CE2-CB 4.36Å; Y853-I863 HydrophobicContact CD1-CD1 3.7Å; Y853-I863 HydrophobicContact CD1-CG1 3.92Å; Y853-I863 HydrophobicContact CD1-CG2 4.01Å; Y853-I863 HydrophobicContact CE1-CB 4.34Å; Y853-I863 HydrophobicContact CE1-CD1 3.85Å; Y853-I863 HydrophobicContact CE1-CG1 4.07Å; Y853-I863 HydrophobicContact CE1-CG2 3.33Å; Y853-W867 AromaticContact CZ-NE1 3.97Å; Y853-W867 PolarHBondContact OH-NE1 3.09Å; Y853-I910 WeakPolarHBondContact CA-O 3.48Å; Y853-I910 HydrophobicContact CD1-CB 4.22Å; Y853-I910 HydrophobicContact CE1-CD1 4.26Å
854	R	97.4	Very high	97.2	Very high	119 Å²	119	69.9 Å²	69.9	45%	0.449	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	127.2	175.3	-72.4	177	175.2	-173.1	1.8	110	Y856 I910 E911 K912	R854-Y856 PolarHBondContact O-N 3.12Å; R854-I910 PolarHBondContact N-O 3.35Å; R854-E911 HydrophobicContact CB-CB 3.91Å; R854-E911 HydrophobicContact CB-CG 3.6Å; R854-E911 WeakPolarHBondContact CD-OE2 3.29Å; R854-E911 IonicContact CZ-OE2 3.11Å; R854-E911 IonicContact NE-OE2 3.41Å; R854-E911 IonicContact NH1-OE2 2.67Å; R854-E911 PolarHBondContact NH1-OE2 3.01Å; R854-E911 WeakPolarHBondContact O-CA 3.49Å; R854-K912 PolarHBondContact O-N 3.08Å
855	H	97.7	Very high	97.4	Very high	156 Å²	156	70.7 Å²	70.7	72%	0.722	33%	0.327	S	S	*	.	S	Bend	trans	55.1	13.9	-172.4	-55.9	-62.6	0	0	0	114.9	K912	H855-K912 HydrophobicContact CB-CB 3.85Å
856	Y	98.3	Very high	97.6	Very high	18 Å²	18	64.1 Å²	64.1	7%	0.071	30%	0.297	C	S	.	.			trans	-132.1	168	169.1	-80.4	-51.9	0	0	0	109.3	Y853 R854 Q862 I863 I910 K912 L931 P932 P933	Y853-Y856 WeakPolarHBondContact CB-O 3.33Å; R854-Y856 PolarHBondContact O-N 3.12Å; Y856-Q862 HydrophobicContact CE1-CB 4.01Å; Y856-Q862 HydrophobicContact CE1-CG 4.29Å; Y856-I863 HydrophobicContact CD1-CG1 4.32Å; Y856-I863 HydrophobicContact CD2-CD1 3.82Å; Y856-I863 HydrophobicContact CD2-CG1 4.31Å; Y856-I863 HydrophobicContact CE2-CD1 4.38Å; Y856-I863 HydrophobicContact CG-CD1 3.98Å; Y856-I863 HydrophobicContact CG-CG1 3.94Å; Y856-I910 HydrophobicContact CD2-CG2 4.22Å; Y856-I910 HydrophobicContact CE2-CG2 4.43Å; Y856-K912 HydrophobicContact CD1-CB 4.21Å; Y856-K912 HydrophobicContact CD1-CD 4.32Å; Y856-K912 HydrophobicContact CD2-CB 3.66Å; Y856-K912 HydrophobicContact CE1-CB 4.03Å; Y856-K912 HydrophobicContact CE1-CD 3.92Å; Y856-K912 HydrophobicContact CE1-CG 3.99Å; Y856-K912 VanDerWaalsContact CE2-CA 3.46Å; Y856-K912 HydrophobicContact CE2-CB 3.44Å; Y856-K912 VanDerWaalsContact CE2-CB 3.44Å; Y856-K912 HydrophobicContact CE2-CG 4.03Å; Y856-K912 HydrophobicContact CG-CB 4.03Å; Y856-L931 HydrophobicContact CE2-CB 4.17Å; Y856-L931 HydrophobicContact CE2-CD2 4.43Å; Y856-L931 HydrophobicContact CE2-CG 4.45Å; Y856-L931 VanDerWaalsContact CE2-O 3.27Å; Y856-L931 WeakPolarHBondContact CE2-O 3.31Å; Y856-L931 PolarHBondContact OH-O 3.5Å; Y856-P932 PolarHBondContact OH-O 2.74Å; Y856-P933 WeakPolarHBondContact OH-CA 3.49Å
857	T	97.3	Very high	97.7	Very high	80 Å²	80	63.1 Å²	63.1	49%	0.491	29%	0.291	S	S	.	.			trans	-131.8	164.4	169.9	62.8	0	0	0	0	109.6	N859 S860 I863	T857-N859 PolarHBondContact O-N 3.32Å; T857-S860 PolarHBondContact N-OG 2.89Å; T857-S860 VanDerWaalsContact O-CB 3.27Å; T857-S860 WeakPolarHBondContact O-CB 3.4Å; T857-S860 PolarHBondContact O-N 2.79Å; T857-S860 PolarHBondContact O-OG 2.73Å; T857-S860 PolarHBondContact OG1-N 2.92Å; T857-S860 PolarHBondContact OG1-OG 2.69Å; T857-S860 VanDerWaalsContact OG1-OG 3.05Å; T857-I863 WeakPolarHBondContact O-CG1 3.27Å
858	R	96	Very high	97.8	Very high	135 Å²	135	66.8 Å²	66.8	51%	0.509	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-24.7	174.2	-172.7	178	-78.6	165.9	-4.9	113.2	Q848 Y853	Q848-R858 PolarHBondContact O-NH2 3.01Å; Y853-R858 HydrophobicContact CE2-CB 4.36Å
859	N	97.6	Very high	97.8	Very high	136 Å²	136	64.9 Å²	64.9	73%	0.727	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-0.6	179.2	-57	76	0	0	0	113.9	T857	T857-N859 PolarHBondContact O-N 3.32Å
860	S	98.3	Very high	97.8	Very high	26 Å²	26	57.5 Å²	57.5	18%	0.182	27%	0.271	C	S	.	.	S	Bend	trans	-71	137.7	177	-63.8	0	0	0	0	110.5	T857 Q862 I863 I864	T857-S860 PolarHBondContact N-OG 2.89Å; T857-S860 VanDerWaalsContact O-CB 3.27Å; T857-S860 WeakPolarHBondContact O-CB 3.4Å; T857-S860 PolarHBondContact O-N 2.79Å; T857-S860 PolarHBondContact O-OG 2.73Å; T857-S860 PolarHBondContact OG1-N 2.92Å; T857-S860 PolarHBondContact OG1-OG 2.69Å; T857-S860 VanDerWaalsContact OG1-OG 3.05Å; S860-Q862 VanDerWaalsContact C-N 3.3Å; S860-Q862 PolarHBondContact O-N 3.49Å; S860-I863 WeakPolarHBondContact O-CA 3.32Å; S860-I863 WeakPolarHBondContact O-CB 3.01Å; S860-I863 PolarHBondContact O-N 2.66Å; S860-I864 PolarHBondContact O-N 3.43Å
861	K	98.1	Very high	97.6	Very high	143 Å²	143	62 Å²	62	62%	0.622	29%	0.29	S	S	*	.	H	α-helix	trans	-50.7	-47.3	-173.8	-67.6	-173.1	178	-175.5	0	112.9	I863 I864 W865	K861-I863 VanDerWaalsContact C-N 3.27Å; K861-I863 PolarHBondContact O-N 3.19Å; K861-I864 PolarHBondContact O-N 3.43Å; K861-W865 HydrophobicContact CB-CD2 4.4Å; K861-W865 HydrophobicContact CB-CE3 4.31Å; K861-W865 HydrophobicContact CB-CH2 3.95Å; K861-W865 HydrophobicContact CB-CZ2 4.05Å; K861-W865 HydrophobicContact CB-CZ3 4.08Å; K861-W865 HydrophobicContact CD-CH2 4.15Å; K861-W865 HydrophobicContact CD-CZ2 4.25Å; K861-W865 WeakPolarHBondContact O-CB 3.49Å; K861-W865 PolarHBondContact O-N 3.2Å
862	Q	98.3	Very high	97.4	Very high	30 Å²	30	66.2 Å²	66.2	14%	0.14	31%	0.309	C	S	.	.	H	α-helix	trans	-64.2	-29.7	-179.8	-62.6	79	7.3	0	0	113	Y856 S860 W865 F866 L931 Y934 L940	Y856-Q862 HydrophobicContact CE1-CB 4.01Å; Y856-Q862 HydrophobicContact CE1-CG 4.29Å; S860-Q862 VanDerWaalsContact C-N 3.3Å; S860-Q862 PolarHBondContact O-N 3.49Å; Q862-W865 HydrophobicContact CG-CE3 4.22Å; Q862-W865 HydrophobicContact CG-CZ3 4.32Å; Q862-F866 VanDerWaalsContact O-CB 3.28Å; Q862-F866 WeakPolarHBondContact O-CB 3.3Å; Q862-F866 PolarHBondContact O-N 2.97Å; Q862-L931 HydrophobicContact CB-CD2 4.32Å; Q862-Y934 PolarHBondContact NE2-O 3.16Å; Q862-L940 HydrophobicContact CB-CD1 4.09Å; Q862-L940 WeakPolarHBondContact O-CD1 3.44Å
863	I	98.6	Very high	97	Very high	0 Å²	0	64 Å²	64	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-77.5	-38.8	176	-59.5	-53.3	0	0	0	111.2	Y853 Y856 T857 S860 K861 W865 F866 W867 I910 L931	Y853-I863 HydrophobicContact CD1-CD1 3.7Å; Y853-I863 HydrophobicContact CD1-CG1 3.92Å; Y853-I863 HydrophobicContact CD1-CG2 4.01Å; Y853-I863 HydrophobicContact CE1-CB 4.34Å; Y853-I863 HydrophobicContact CE1-CD1 3.85Å; Y853-I863 HydrophobicContact CE1-CG1 4.07Å; Y853-I863 HydrophobicContact CE1-CG2 3.33Å; Y856-I863 HydrophobicContact CD1-CG1 4.32Å; Y856-I863 HydrophobicContact CD2-CD1 3.82Å; Y856-I863 HydrophobicContact CD2-CG1 4.31Å; Y856-I863 HydrophobicContact CE2-CD1 4.38Å; Y856-I863 HydrophobicContact CG-CD1 3.98Å; Y856-I863 HydrophobicContact CG-CG1 3.94Å; T857-I863 WeakPolarHBondContact O-CG1 3.27Å; S860-I863 WeakPolarHBondContact O-CA 3.32Å; S860-I863 WeakPolarHBondContact O-CB 3.01Å; S860-I863 PolarHBondContact O-N 2.66Å; K861-I863 VanDerWaalsContact C-N 3.27Å; K861-I863 PolarHBondContact O-N 3.19Å; I863-W865 VanDerWaalsContact C-N 3.34Å; I863-F866 PolarHBondContact O-N 3.44Å; I863-W867 PolarHBondContact O-N 2.66Å; I863-I910 HydrophobicContact CD1-CB 4.07Å; I863-I910 HydrophobicContact CD1-CD1 4.13Å; I863-I910 HydrophobicContact CD1-CG2 3.67Å; I863-L931 HydrophobicContact CD1-CD2 4.3Å
864	I	98.4	Very high	96.4	Very high	90 Å²	90	64.7 Å²	64.7	46%	0.462	30%	0.302	S	S	.	.	H	α-helix	trans	-61.8	-46.1	172.7	-62.1	169.4	0	0	0	109.6	S860 K861 W867 Q868	S860-I864 PolarHBondContact O-N 3.43Å; K861-I864 PolarHBondContact O-N 3.43Å; I864-W867 PolarHBondContact O-N 2.84Å; I864-Q868 WeakPolarHBondContact O-CB 3.35Å; I864-Q868 PolarHBondContact O-N 2.83Å
865	W	98.6	Very high	95.8	Very high	46 Å²	46	59.3 Å²	59.3	17%	0.174	28%	0.283	C	S	.	.	H	α-helix	trans	-62.1	-43.3	175.3	-69.5	-23.1	0	0	0	113.4	K861 Q862 I863 W867 Q868 L869 Y934 K935 Y937 L940	K861-W865 HydrophobicContact CB-CD2 4.4Å; K861-W865 HydrophobicContact CB-CE3 4.31Å; K861-W865 HydrophobicContact CB-CH2 3.95Å; K861-W865 HydrophobicContact CB-CZ2 4.05Å; K861-W865 HydrophobicContact CB-CZ3 4.08Å; K861-W865 HydrophobicContact CD-CH2 4.15Å; K861-W865 HydrophobicContact CD-CZ2 4.25Å; K861-W865 WeakPolarHBondContact O-CB 3.49Å; K861-W865 PolarHBondContact O-N 3.2Å; Q862-W865 HydrophobicContact CG-CE3 4.22Å; Q862-W865 HydrophobicContact CG-CZ3 4.32Å; I863-W865 VanDerWaalsContact C-N 3.34Å; W865-W867 PolarHBondContact O-N 2.93Å; W865-Q868 WeakPolarHBondContact O-CB 3.39Å; W865-Q868 PolarHBondContact O-N 3.44Å; W865-L869 PolarHBondContact O-N 2.69Å; W865-Y934 WeakPolarHBondContact CZ3-O 3.37Å; W865-K935 WeakPolarHBondContact CH2-O 3.35Å; W865-Y937 HydrophobicContact CB-CD2 3.76Å; W865-Y937 HydrophobicContact CB-CE2 4.4Å; W865-Y937 AromaticContact CD1-CD2 3.81Å; W865-Y937 AromaticContact CG-CD2 3.86Å; W865-Y937 HydrophobicContact CG-CD2 3.86Å; W865-Y937 WeakPolarHBondContact O-CE2 3.36Å; W865-L940 HydrophobicContact CB-CD1 3.95Å
866	F	98.5	Very high	95.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-56.7	-49.7	173.5	175.5	-90.3	0	0	0	111.5	Q862 I863 Q868 L869 V870 L881 F908 I910 L929 L931 L944	Q862-F866 VanDerWaalsContact O-CB 3.28Å; Q862-F866 WeakPolarHBondContact O-CB 3.3Å; Q862-F866 PolarHBondContact O-N 2.97Å; I863-F866 PolarHBondContact O-N 3.44Å; F866-Q868 VanDerWaalsContact C-N 3.31Å; F866-Q868 PolarHBondContact O-N 2.89Å; F866-L869 PolarHBondContact O-N 3.07Å; F866-V870 HydrophobicContact CD1-CG2 4.29Å; F866-V870 HydrophobicContact CE1-CG2 3.92Å; F866-V870 HydrophobicContact CE2-CG2 4.31Å; F866-V870 HydrophobicContact CZ-CG2 3.94Å; F866-V870 WeakPolarHBondContact O-CG2 3.34Å; F866-V870 PolarHBondContact O-N 3.19Å; F866-L881 HydrophobicContact CE2-CD1 4.49Å; F866-L881 HydrophobicContact CE2-CD2 3.99Å; F866-L881 HydrophobicContact CZ-CD2 3.98Å; F866-F908 HydrophobicContact CZ-CE1 4.22Å; F866-F908 HydrophobicContact CZ-CZ 4.17Å; F866-I910 HydrophobicContact CD1-CD1 3.64Å; F866-I910 HydrophobicContact CD2-CD1 4.23Å; F866-I910 HydrophobicContact CE1-CD1 3.61Å; F866-I910 HydrophobicContact CE2-CD1 4.19Å; F866-I910 HydrophobicContact CG-CD1 3.96Å; F866-I910 HydrophobicContact CZ-CD1 3.89Å; F866-L929 HydrophobicContact CD2-CD2 4.05Å; F866-L929 HydrophobicContact CE2-CD2 3.51Å; F866-L929 HydrophobicContact CZ-CD2 4.27Å; F866-L931 HydrophobicContact CB-CD2 4.39Å; F866-L944 HydrophobicContact CD2-CD2 3.71Å; F866-L944 HydrophobicContact CE2-CD2 3.89Å
867	W	98.2	Very high	94.5	Very high	6 Å²	6	54.3 Å²	54.3	2%	0.023	26%	0.263	C	S	.	.	H	α-helix	trans	-74.8	-16.5	179.5	-69.7	117.1	0	0	0	114.7	W847 Q848 T851 Y853 I863 I864 W865 V870 K871	W847-W867 HydrophobicContact CB-CH2 4.06Å; W847-W867 HydrophobicContact CB-CZ3 4.24Å; W847-W867 AromaticContact CD1-CH2 3.72Å; W847-W867 AromaticContact CD2-CH2 4Å; W847-W867 HydrophobicContact CD2-CH2 4Å; W847-W867 HydrophobicContact CD2-CZ3 4.1Å; W847-W867 HydrophobicContact CE3-CZ3 4.39Å; W847-W867 AromaticContact CG-CH2 3.63Å; W847-W867 HydrophobicContact CG-CH2 3.63Å; W847-W867 HydrophobicContact CG-CZ3 4.02Å; Q848-W867 HydrophobicContact CB-CD2 4.08Å; Q848-W867 HydrophobicContact CB-CE3 4.01Å; Q848-W867 HydrophobicContact CB-CH2 4.02Å; Q848-W867 HydrophobicContact CB-CZ2 4.08Å; Q848-W867 HydrophobicContact CB-CZ3 3.97Å; Q848-W867 HydrophobicContact CG-CD2 3.87Å; Q848-W867 HydrophobicContact CG-CE3 4.29Å; Q848-W867 HydrophobicContact CG-CG 4.21Å; Q848-W867 HydrophobicContact CG-CZ2 4.26Å; Q848-W867 VanDerWaalsContact NE2-CB 3.35Å; T851-W867 HydrophobicContact CG2-CZ2 4.06Å; T851-W867 WeakPolarHBondContact OG1-CZ2 3.39Å; Y853-W867 AromaticContact CZ-NE1 3.97Å; Y853-W867 PolarHBondContact OH-NE1 3.09Å; I863-W867 PolarHBondContact O-N 2.66Å; I864-W867 PolarHBondContact O-N 2.84Å; W865-W867 PolarHBondContact O-N 2.93Å; W867-V870 HydrophobicContact CE3-CB 4.24Å; W867-V870 HydrophobicContact CE3-CG1 4.08Å; W867-V870 HydrophobicContact CZ3-CG1 4.02Å; W867-K871 VanDerWaalsContact O-CD 3.27Å; W867-K871 WeakPolarHBondContact O-CD 3.44Å; W867-K871 VanDerWaalsContact O-CG 3.27Å; W867-K871 WeakPolarHBondContact O-CG 3.33Å
868	Q	97.2	Very high	94.2	Very high	76 Å²	76	52.4 Å²	52.4	36%	0.355	25%	0.247	S	C	.	.	H	α-helix	trans	-71.3	-52	166	179.4	-175.8	-21.3	0	0	109.7	I864 W865 F866 V870 K871 E872 Y937	I864-Q868 WeakPolarHBondContact O-CB 3.35Å; I864-Q868 PolarHBondContact O-N 2.83Å; W865-Q868 WeakPolarHBondContact O-CB 3.39Å; W865-Q868 PolarHBondContact O-N 3.44Å; F866-Q868 VanDerWaalsContact C-N 3.31Å; F866-Q868 PolarHBondContact O-N 2.89Å; Q868-V870 PolarHBondContact O-N 3.34Å; Q868-K871 WeakPolarHBondContact O-CB 3.31Å; Q868-K871 PolarHBondContact O-N 2.82Å; Q868-E872 WeakPolarHBondContact CG-OE1 3.26Å; Q868-E872 PolarHBondContact NE2-OE1 2.98Å; Q868-E872 PolarHBondContact O-N 2.81Å; Q868-Y937 HydrophobicContact CB-CE2 4.08Å; Q868-Y937 HydrophobicContact CG-CE2 3.99Å
869	L	97	Very high	93.7	Very high	6 Å²	6	46.1 Å²	46.1	3%	0.031	22%	0.223	C	C	.	.	H	α-helix	trans	-58.3	-47.8	179.9	-178.2	64.7	0	0	0	112	W865 F866 K871 E872 V873 Y937 L940 K941 L944	W865-L869 PolarHBondContact O-N 2.69Å; F866-L869 PolarHBondContact O-N 3.07Å; L869-K871 PolarHBondContact O-N 2.82Å; L869-K871 VanDerWaalsContact O-N 3.1Å; L869-E872 PolarHBondContact O-N 2.9Å; L869-V873 HydrophobicContact CD1-CG1 3.69Å; L869-V873 HydrophobicContact CG-CG1 4.09Å; L869-V873 WeakPolarHBondContact O-CG1 3.41Å; L869-V873 WeakPolarHBondContact O-CG2 3.34Å; L869-V873 PolarHBondContact O-N 2.99Å; L869-Y937 VanDerWaalsContact CA-OH 3.32Å; L869-Y937 WeakPolarHBondContact CA-OH 3.35Å; L869-Y937 HydrophobicContact CB-CE2 4.13Å; L869-Y937 PolarHBondContact N-OH 2.84Å; L869-L940 HydrophobicContact CD2-CD2 4.28Å; L869-K941 HydrophobicContact CD1-CB 4.26Å; L869-K941 HydrophobicContact CD1-CD 3.78Å; L869-K941 HydrophobicContact CD1-CG 3.63Å; L869-L944 HydrophobicContact CD2-CB 4.43Å; L869-L944 HydrophobicContact CD2-CD2 4.09Å
870	V	96.3	Very high	93.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-59.9	-22.7	179.5	169.5	0	0	0	0	112.8	L844 W847 F866 W867 Q868 R878 L881	L844-V870 HydrophobicContact CD2-CG1 3.49Å; L844-V870 VanDerWaalsContact CD2-CG1 3.49Å; W847-V870 HydrophobicContact CE3-CG1 4.17Å; W847-V870 HydrophobicContact CZ3-CG1 4.01Å; F866-V870 HydrophobicContact CD1-CG2 4.29Å; F866-V870 HydrophobicContact CE1-CG2 3.92Å; F866-V870 HydrophobicContact CE2-CG2 4.31Å; F866-V870 HydrophobicContact CZ-CG2 3.94Å; F866-V870 WeakPolarHBondContact O-CG2 3.34Å; F866-V870 PolarHBondContact O-N 3.19Å; W867-V870 HydrophobicContact CE3-CB 4.24Å; W867-V870 HydrophobicContact CE3-CG1 4.08Å; W867-V870 HydrophobicContact CZ3-CG1 4.02Å; Q868-V870 PolarHBondContact O-N 3.34Å; V870-R878 PolarHBondContact O-NE 2.95Å; V870-L881 HydrophobicContact CG2-CD2 3.66Å
871	K	95.1	Very high	92.8	Very high	113 Å²	113	40.3 Å²	40.3	49%	0.491	19%	0.188	S	C	.	.	H	α-helix	trans	-87.5	-35.1	172.5	-69.4	171.3	-170.8	-179.5	0	113.1	L844 W867 Q868 L869	L844-K871 HydrophobicContact CD1-CB 4.43Å; L844-K871 HydrophobicContact CD1-CG 3.75Å; W867-K871 VanDerWaalsContact O-CD 3.27Å; W867-K871 WeakPolarHBondContact O-CD 3.44Å; W867-K871 VanDerWaalsContact O-CG 3.27Å; W867-K871 WeakPolarHBondContact O-CG 3.33Å; Q868-K871 WeakPolarHBondContact O-CB 3.31Å; Q868-K871 PolarHBondContact O-N 2.82Å; L869-K871 PolarHBondContact O-N 2.82Å; L869-K871 VanDerWaalsContact O-N 3.1Å
872	E	93.6	Very high	92.4	Very high	96 Å²	96	33.5 Å²	33.5	45%	0.449	16%	0.158	S	C	.	.	H	α-helix	trans	-69.8	-35.7	177	-77.2	178.2	-157.5	0	0	113.3	Q868 L869 Y937 K941	Q868-E872 WeakPolarHBondContact CG-OE1 3.26Å; Q868-E872 PolarHBondContact NE2-OE1 2.98Å; Q868-E872 PolarHBondContact O-N 2.81Å; L869-E872 PolarHBondContact O-N 2.9Å; E872-Y937 PolarHBondContact OE1-OH 2.75Å; E872-Y937 VanDerWaalsContact OE1-OH 3.05Å; E872-Y937 PolarHBondContact OE2-OH 3.34Å; E872-K941 IonicContact OE2-NZ 3.44Å; E872-K941 PolarHBondContact OE2-NZ 2.75Å
873	V	89.6	Confident	91.8	Very high	21 Å²	21	32.1 Å²	32.1	13%	0.127	15%	0.152	C	C	.	.	S	Bend	trans	-82.5	157.9	-178	-56.5	0	0	0	0	112.6	L869 V877 R878 L945	L869-V873 HydrophobicContact CD1-CG1 3.69Å; L869-V873 HydrophobicContact CG-CG1 4.09Å; L869-V873 WeakPolarHBondContact O-CG1 3.41Å; L869-V873 WeakPolarHBondContact O-CG2 3.34Å; L869-V873 PolarHBondContact O-N 2.99Å; V873-V877 HydrophobicContact CB-CB 3.82Å; V873-V877 HydrophobicContact CB-CG1 3.73Å; V873-V877 HydrophobicContact CB-CG2 4.33Å; V873-V877 HydrophobicContact CG1-CG1 3.99Å; V873-V877 HydrophobicContact CG2-CB 3.88Å; V873-V877 HydrophobicContact CG2-CG1 3.67Å; V873-R878 HydrophobicContact CG2-CG 4.21Å; V873-R878 PolarHBondContact O-NE 3.36Å; V873-R878 PolarHBondContact O-NH2 3.39Å; V873-L945 HydrophobicContact CG1-CD2 4.36Å
874	D	85.4	Confident	91.3	Very high	61 Å²	61	32.6 Å²	32.6	33%	0.326	15%	0.154	S	C	.	.			trans	-76	179.2	179.5	92.6	-17.6	0	0	0	113	R583 E876 V877 R878	R583-D874 IonicContact NH1-OD2 3.95Å; R583-D874 PolarHBondContact NH1-OD2 3.21Å; R583-D874 IonicContact NH2-OD2 3.54Å; D874-E876 VanDerWaalsContact C-N 3.34Å; D874-E876 WeakPolarHBondContact OD1-CA 3.36Å; D874-E876 VanDerWaalsContact OD1-CB 3.3Å; D874-E876 WeakPolarHBondContact OD1-CB 3.37Å; D874-E876 PolarHBondContact OD1-N 2.89Å; D874-V877 PolarHBondContact OD1-N 2.89Å; D874-R878 VanDerWaalsContact O-CG 3.29Å; D874-R878 WeakPolarHBondContact O-CG 3.34Å; D874-R878 PolarHBondContact O-N 2.77Å; D874-R878 VanDerWaalsContact O-N 3.15Å
875	N	84.6	Confident	90.9	Very high	7 Å²	7	28.3 Å²	28.3	4%	0.037	13%	0.132	C	C	.	.	H	α-helix	trans	-74.7	-21.5	-177.8	-161.3	72.9	0	0	0	114	Y479 Q840 V842 R878 L879	Y479-N875 WeakPolarHBondContact OH-CB 3.2Å; Q840-N875 PolarHBondContact O-ND2 3.05Å; V842-N875 PolarHBondContact N-OD1 3.26Å; N875-R878 PolarHBondContact O-N 3.43Å; N875-L879 WeakPolarHBondContact O-CG 3.39Å; N875-L879 PolarHBondContact O-N 3.1Å
876	E	82.5	Confident	90.3	Very high	28 Å²	28	26.2 Å²	26.2	13%	0.131	12%	0.124	C	C	.	.	H	α-helix	trans	-66.3	-48.8	173.5	-164.9	179	139.8	0	0	109.5	M483 F582 R583 M839 D874 R878 L879 R880	M483-E876 HydrophobicContact CE-CB 4.4Å; F582-E876 WeakPolarHBondContact CB-OE1 3.41Å; R583-E876 IonicContact CZ-OE2 3.85Å; R583-E876 IonicContact NH1-OE2 2.91Å; R583-E876 PolarHBondContact NH1-OE2 3.39Å; M839-E876 HydrophobicContact CE-CB 4.18Å; M839-E876 HydrophobicContact CE-CG 4.18Å; D874-E876 VanDerWaalsContact C-N 3.34Å; D874-E876 WeakPolarHBondContact OD1-CA 3.36Å; D874-E876 VanDerWaalsContact OD1-CB 3.3Å; D874-E876 WeakPolarHBondContact OD1-CB 3.37Å; D874-E876 PolarHBondContact OD1-N 2.89Å; E876-R878 VanDerWaalsContact C-N 3.34Å; E876-R878 PolarHBondContact O-N 2.96Å; E876-L879 PolarHBondContact O-N 2.8Å; E876-R880 WeakPolarHBondContact O-CG 3.36Å; E876-R880 PolarHBondContact O-N 3.12Å
877	V	86.4	Confident	89.4	Confident	41 Å²	41	26.9 Å²	26.9	25%	0.248	13%	0.131	C	C	.	.	H	α-helix	trans	-62.7	-37.9	175.7	-178.5	0	0	0	0	111.9	V873 D874 R880 L881 L945 I948	V873-V877 HydrophobicContact CB-CB 3.82Å; V873-V877 HydrophobicContact CB-CG1 3.73Å; V873-V877 HydrophobicContact CB-CG2 4.33Å; V873-V877 HydrophobicContact CG1-CG1 3.99Å; V873-V877 HydrophobicContact CG2-CB 3.88Å; V873-V877 HydrophobicContact CG2-CG1 3.67Å; D874-V877 PolarHBondContact OD1-N 2.89Å; V877-R880 PolarHBondContact O-N 2.93Å; V877-L881 WeakPolarHBondContact O-CB 3.31Å; V877-L881 PolarHBondContact O-N 3.34Å; V877-L945 HydrophobicContact CG1-CD2 3.82Å; V877-I948 HydrophobicContact CG1-CD1 3.68Å
878	R	90.2	Very high	88.6	Confident	39 Å²	39	27.2 Å²	27.2	15%	0.147	13%	0.134	C	C	.	.	H	α-helix	trans	-61.7	-44	174.1	-69.4	167.8	-161.2	159.3	11.1	112.2	V842 L844 W847 V870 V873 D874 N875 E876 L881 M882	V842-R878 HydrophobicContact CB-CB 4.34Å; V842-R878 HydrophobicContact CG2-CB 4.16Å; L844-R878 HydrophobicContact CD2-CG 4.47Å; W847-R878 HydrophobicContact CZ3-CB 4.31Å; V870-R878 PolarHBondContact O-NE 2.95Å; V873-R878 HydrophobicContact CG2-CG 4.21Å; V873-R878 PolarHBondContact O-NE 3.36Å; V873-R878 PolarHBondContact O-NH2 3.39Å; D874-R878 VanDerWaalsContact O-CG 3.29Å; D874-R878 WeakPolarHBondContact O-CG 3.34Å; D874-R878 PolarHBondContact O-N 2.77Å; D874-R878 VanDerWaalsContact O-N 3.15Å; N875-R878 PolarHBondContact O-N 3.43Å; E876-R878 VanDerWaalsContact C-N 3.34Å; E876-R878 PolarHBondContact O-N 2.96Å; R878-L881 PolarHBondContact O-N 2.95Å; R878-M882 WeakPolarHBondContact O-CB 3.4Å; R878-M882 PolarHBondContact O-N 2.87Å
879	L	85.3	Confident	87.9	Confident	3 Å²	3	23.6 Å²	23.6	2%	0.016	12%	0.117	C	C	.	.	H	α-helix	trans	-66.8	-41.3	177.3	-72.9	169.7	0	0	0	111.7	M839 Q840 V842 N875 E876 L881 M882 Q883	M839-L879 HydrophobicContact CB-CD1 3.98Å; M839-L879 HydrophobicContact CE-CD1 3.84Å; M839-L879 HydrophobicContact CG-CD1 4.07Å; Q840-L879 HydrophobicContact CG-CD2 4.26Å; V842-L879 HydrophobicContact CG2-CD2 3.75Å; V842-L879 HydrophobicContact CG2-CG 4.09Å; N875-L879 WeakPolarHBondContact O-CG 3.39Å; N875-L879 PolarHBondContact O-N 3.1Å; E876-L879 PolarHBondContact O-N 2.8Å; L879-L881 PolarHBondContact O-N 3.29Å; L879-M882 HydrophobicContact CD2-CE 4.04Å; L879-M882 WeakPolarHBondContact O-CB 3.39Å; L879-M882 PolarHBondContact O-N 2.94Å; L879-Q883 WeakPolarHBondContact O-CG 3.45Å; L879-Q883 PolarHBondContact O-N 3.42Å
880	R	85.6	Confident	87.1	Confident	34 Å²	34	26 Å²	26	13%	0.128	13%	0.126	C	C	.	.	H	α-helix	trans	-61	-41.4	173.8	-68.4	-61.2	-147.7	152.5	16	112.4	D828 E831 E876 V877 F884	D828-R880 VanDerWaalsContact CG-NH1 3.35Å; D828-R880 IonicContact OD1-CZ 3.52Å; D828-R880 IonicContact OD1-NH1 3.81Å; D828-R880 PolarHBondContact OD1-NH1 2.99Å; D828-R880 IonicContact OD1-NH2 3.73Å; D828-R880 IonicContact OD2-CZ 2.76Å; D828-R880 IonicContact OD2-NH1 3.68Å; D828-R880 PolarHBondContact OD2-NH1 3.42Å; D828-R880 IonicContact OD2-NH2 3.61Å; D828-R880 PolarHBondContact OD2-NH2 3.34Å; E831-R880 VanDerWaalsContact CD-NH2 3.32Å; E831-R880 IonicContact OE1-NH2 3Å; E831-R880 PolarHBondContact OE1-NH2 2.98Å; E876-R880 WeakPolarHBondContact O-CG 3.36Å; E876-R880 PolarHBondContact O-N 3.12Å; V877-R880 PolarHBondContact O-N 2.93Å; R880-F884 WeakPolarHBondContact O-CB 3.49Å; R880-F884 PolarHBondContact O-N 2.92Å
881	L	91.3	Very high	86.4	Confident	7 Å²	7	27.3 Å²	27.3	4%	0.037	13%	0.132	C	C	.	.	H	α-helix	trans	-65.2	-38.5	173.6	175.4	62	0	0	0	112.2	W847 F866 V870 V877 R878 L879 F884 V885 L944 I948	W847-L881 HydrophobicContact CH2-CB 4.46Å; W847-L881 HydrophobicContact CH2-CD2 3.9Å; W847-L881 HydrophobicContact CH2-CG 4.05Å; W847-L881 HydrophobicContact CZ2-CD2 4.41Å; W847-L881 HydrophobicContact CZ2-CG 4.43Å; F866-L881 HydrophobicContact CE2-CD1 4.49Å; F866-L881 HydrophobicContact CE2-CD2 3.99Å; F866-L881 HydrophobicContact CZ-CD2 3.98Å; V870-L881 HydrophobicContact CG2-CD2 3.66Å; V877-L881 WeakPolarHBondContact O-CB 3.31Å; V877-L881 PolarHBondContact O-N 3.34Å; R878-L881 PolarHBondContact O-N 2.95Å; L879-L881 PolarHBondContact O-N 3.29Å; L881-F884 PolarHBondContact O-N 2.81Å; L881-V885 HydrophobicContact CD1-CG2 4.28Å; L881-V885 WeakPolarHBondContact O-CG2 3.4Å; L881-V885 PolarHBondContact O-N 2.9Å; L881-L944 HydrophobicContact CD1-CD1 3.99Å; L881-L944 HydrophobicContact CD1-CG 4.45Å; L881-I948 HydrophobicContact CB-CD1 4.43Å; L881-I948 HydrophobicContact CB-CG2 4.24Å; L881-I948 HydrophobicContact CD1-CG2 3.79Å
882	M	90	Very high	85.6	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-63.5	-52.2	174.8	-165.7	171.6	78.9	0	0	110.6	W847 R878 L879 F884 V885 T886 C889 L891 F896	W847-M882 HydrophobicContact CH2-CB 4.48Å; R878-M882 WeakPolarHBondContact O-CB 3.4Å; R878-M882 PolarHBondContact O-N 2.87Å; L879-M882 HydrophobicContact CD2-CE 4.04Å; L879-M882 WeakPolarHBondContact O-CB 3.39Å; L879-M882 PolarHBondContact O-N 2.94Å; M882-F884 VanDerWaalsContact C-N 3.25Å; M882-F884 PolarHBondContact O-N 2.89Å; M882-V885 PolarHBondContact O-N 3.3Å; M882-T886 HydrophobicContact CG-CG2 4.14Å; M882-T886 PolarHBondContact O-N 2.95Å; M882-T886 PolarHBondContact O-OG1 3.46Å; M882-C889 WeakPolarHBondContact CE-O 3.44Å; M882-L891 HydrophobicContact CE-CD2 4.21Å; M882-L891 HydrophobicContact CE-CG 4Å; M882-L891 HydrophobicContact SD-CD1 4.19Å; M882-L891 HydrophobicContact SD-CD2 3.55Å; M882-L891 VanDerWaalsContact SD-CD2 3.55Å; M882-L891 HydrophobicContact SD-CG 3.78Å; M882-F896 HydrophobicContact SD-CE1 4.07Å; M882-F896 HydrophobicContact SD-CZ 3.78Å
883	Q	86.6	Confident	84.6	Confident	1 Å²	1	23.1 Å²	23.1	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-54.9	-38	174.1	-74.1	176.1	-51.6	0	0	113	K830 E833 L879 V885 G887 C889	K830-Q883 VanDerWaalsContact CB-NE2 3.34Å; K830-Q883 HydrophobicContact CD-CB 4.05Å; K830-Q883 HydrophobicContact CG-CB 4.22Å; K830-Q883 PolarHBondContact O-NE2 3.49Å; E833-Q883 PolarHBondContact OE2-NE2 2.9Å; L879-Q883 WeakPolarHBondContact O-CG 3.45Å; L879-Q883 PolarHBondContact O-N 3.42Å; Q883-V885 VanDerWaalsContact C-N 3.34Å; Q883-V885 PolarHBondContact O-N 2.8Å; Q883-G887 VanDerWaalsContact O-CA 3.25Å; Q883-G887 WeakPolarHBondContact O-CA 3.27Å; Q883-G887 PolarHBondContact O-N 3.34Å; Q883-C889 HydrophobicContact CG-CB 3.73Å
884	F	88.2	Confident	84	Confident	9 Å²	9	23.7 Å²	23.7	4%	0.039	13%	0.131	C	C	.	.	H	α-helix	trans	-61.7	-40.6	175.6	178.1	-107.1	0	0	0	112.1	R880 L881 M882 S922 L929 A947 I948 T951 F954	R880-F884 WeakPolarHBondContact O-CB 3.49Å; R880-F884 PolarHBondContact O-N 2.92Å; L881-F884 PolarHBondContact O-N 2.81Å; M882-F884 VanDerWaalsContact C-N 3.25Å; M882-F884 PolarHBondContact O-N 2.89Å; F884-S922 WeakPolarHBondContact O-CB 3.44Å; F884-S922 PolarHBondContact O-OG 2.87Å; F884-L929 HydrophobicContact CD1-CD1 4.26Å; F884-L929 HydrophobicContact CE1-CD1 3.78Å; F884-A947 WeakPolarHBondContact CD2-O 3.45Å; F884-A947 WeakPolarHBondContact CE2-O 3.48Å; F884-A947 HydrophobicContact CZ-CB 4.2Å; F884-I948 HydrophobicContact CB-CB 4.48Å; F884-I948 HydrophobicContact CB-CG2 3.9Å; F884-I948 HydrophobicContact CD1-CG2 4.01Å; F884-I948 HydrophobicContact CG-CG2 3.92Å; F884-T951 HydrophobicContact CD2-CG2 3.74Å; F884-T951 HydrophobicContact CE2-CG2 4.07Å; F884-F954 HydrophobicContact CE2-CE2 4.43Å
885	V	89.8	Confident	84	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-92.6	-31.3	-173.5	-179.6	0	0	0	0	114	L881 M882 Q883 F908 T924 N927 L929	L881-V885 HydrophobicContact CD1-CG2 4.28Å; L881-V885 WeakPolarHBondContact O-CG2 3.4Å; L881-V885 PolarHBondContact O-N 2.9Å; M882-V885 PolarHBondContact O-N 3.3Å; Q883-V885 VanDerWaalsContact C-N 3.34Å; Q883-V885 PolarHBondContact O-N 2.8Å; V885-F908 HydrophobicContact CB-CD2 4.41Å; V885-F908 HydrophobicContact CB-CE2 3.62Å; V885-F908 HydrophobicContact CB-CZ 4.19Å; V885-F908 HydrophobicContact CG1-CD2 3.84Å; V885-F908 HydrophobicContact CG1-CE2 3.37Å; V885-F908 HydrophobicContact CG1-CZ 3.88Å; V885-F908 HydrophobicContact CG2-CE2 4.02Å; V885-F908 HydrophobicContact CG2-CZ 4.1Å; V885-T924 WeakPolarHBondContact O-CA 3.27Å; V885-N927 WeakPolarHBondContact CG1-O 3.34Å; V885-N927 WeakPolarHBondContact O-CA 3.21Å; V885-L929 HydrophobicContact CG1-CB 4.24Å; V885-L929 HydrophobicContact CG2-CB 3.96Å; V885-L929 HydrophobicContact CG2-CD1 4.05Å; V885-L929 HydrophobicContact CG2-CG 4.43Å
886	T	85.4	Confident	84.3	Confident	2 Å²	2	21.1 Å²	21.1	1%	0.012	12%	0.12	C	C	.	.	H	α-helix	trans	-106.4	-22.9	-176.6	68.7	0	0	0	0	113.4	Y674 M882 T888 L899 F908 T924 N927	Y674-T886 PolarHBondContact OH-O 3.36Å; Y674-T886 VanDerWaalsContact OH-O 3.05Å; M882-T886 HydrophobicContact CG-CG2 4.14Å; M882-T886 PolarHBondContact O-N 2.95Å; M882-T886 PolarHBondContact O-OG1 3.46Å; T886-T888 PolarHBondContact OG1-N 3.37Å; T886-T888 PolarHBondContact OG1-O 2.83Å; T886-L899 HydrophobicContact CG2-CD2 4.14Å; T886-F908 HydrophobicContact CG2-CD2 4.47Å; T886-T924 WeakPolarHBondContact O-CB 3.28Å; T886-N927 VanDerWaalsContact CA-OD1 3.29Å; T886-N927 WeakPolarHBondContact CA-OD1 3.3Å; T886-N927 VanDerWaalsContact CB-OD1 3.25Å; T886-N927 WeakPolarHBondContact CB-OD1 3.07Å; T886-N927 HydrophobicContact CG2-CB 4.5Å; T886-N927 WeakPolarHBondContact CG2-OD1 3.46Å
887	G	79.6	Confident	84.7	Confident	15 Å²	15	21.8 Å²	21.8	16%	0.155	13%	0.13	C	C	.	.	S	Bend	trans	84.4	7	-173.5	0	0	0	0	0	114.9	L715 Q883	L715-G887 WeakPolarHBondContact CG-O 3.44Å; Q883-G887 VanDerWaalsContact O-CA 3.25Å; Q883-G887 WeakPolarHBondContact O-CA 3.27Å; Q883-G887 PolarHBondContact O-N 3.34Å
888	T	80.8	Confident	84.7	Confident	12 Å²	12	24.6 Å²	24.6	7%	0.074	14%	0.14	C	C	.	.			trans	-149.2	152.2	177.3	-178.3	0	0	0	0	112.7	Y674 E833 T886 R890	Y674-T888 WeakPolarHBondContact OH-CG2 3.39Å; E833-T888 WeakPolarHBondContact OE1-CA 3.29Å; E833-T888 WeakPolarHBondContact OE1-CB 3.49Å; E833-T888 PolarHBondContact OE1-OG1 2.97Å; T886-T888 PolarHBondContact OG1-N 3.37Å; T886-T888 PolarHBondContact OG1-O 2.83Å; T888-R890 PolarHBondContact OG1-N 3.31Å
889	C	81.9	Confident	84.5	Confident	1 Å²	1	23 Å²	23	1%	0.007	14%	0.135	C	C	.	.	S	Bend	trans	-86.5	-3.5	173.2	71	0	0	0	0	114	E833 V834 M882 Q883	E833-C889 VanDerWaalsContact CD-N 3.27Å; E833-C889 PolarHBondContact OE1-N 3.3Å; E833-C889 PolarHBondContact OE2-N 2.89Å; V834-C889 HydrophobicContact CG2-CB 3.77Å; M882-C889 WeakPolarHBondContact CE-O 3.44Å; Q883-C889 HydrophobicContact CG-CB 3.73Å
890	R	82	Confident	84.2	Confident	57 Å²	57	26 Å²	26	22%	0.215	15%	0.15	C	C	.	.			trans	-92.9	148.8	-179.4	-57.7	-179.8	-60.1	136.5	17.4	111.7	D710 G712 C837 T888	D710-R890 PolarHBondContact O-NH1 3.38Å; D710-R890 WeakPolarHBondContact OD1-CD 3.28Å; G712-R890 VanDerWaalsContact CA-NH2 3.27Å; C837-R890 HydrophobicContact CB-CG 3.94Å; T888-R890 PolarHBondContact OG1-N 3.31Å
891	L	81.3	Confident	83.8	Confident	26 Å²	26	24.4 Å²	24.4	14%	0.136	14%	0.143	C	C	.	.			trans	-111.2	153.3	166.1	-71.3	174.8	0	0	0	112	M882 F896 L899	M882-L891 HydrophobicContact CE-CD2 4.21Å; M882-L891 HydrophobicContact CE-CG 4Å; M882-L891 HydrophobicContact SD-CD1 4.19Å; M882-L891 HydrophobicContact SD-CD2 3.55Å; M882-L891 VanDerWaalsContact SD-CD2 3.55Å; M882-L891 HydrophobicContact SD-CG 3.78Å; L891-F896 HydrophobicContact CD1-CD2 3.98Å; L891-F896 HydrophobicContact CD1-CE2 3.46Å; L891-F896 VanDerWaalsContact CD1-CE2 3.46Å; L891-F896 HydrophobicContact CD1-CZ 3.81Å; L891-F896 HydrophobicContact CD2-CD1 4.05Å; L891-F896 HydrophobicContact CD2-CD2 4.35Å; L891-F896 HydrophobicContact CD2-CE1 3.78Å; L891-F896 HydrophobicContact CD2-CE2 4.1Å; L891-F896 HydrophobicContact CD2-CG 4.33Å; L891-F896 HydrophobicContact CD2-CZ 3.81Å; L891-F896 HydrophobicContact CG-CE2 4.44Å; L891-F896 HydrophobicContact CG-CZ 4.41Å; L891-L899 HydrophobicContact CD2-CD1 3.94Å
892	P	78.2	Confident	82.8	Confident	40 Å²	40	25 Å²	25	26%	0.26	15%	0.149	S	C	.	.			trans	-60.6	163.3	165.8	-19.9	32.4	0	0	0	112.7	G894 G895 E898 L899	P892-G894 VanDerWaalsContact C-N 3.34Å; P892-G894 PolarHBondContact O-N 2.98Å; P892-G895 WeakPolarHBondContact O-CA 3.37Å; P892-G895 PolarHBondContact O-N 2.93Å; P892-E898 HydrophobicContact CB-CB 3.94Å; P892-E898 HydrophobicContact CG-CB 4.41Å; P892-E898 WeakPolarHBondContact CG-O 3.33Å; P892-L899 HydrophobicContact CG-CD1 4.46Å
893	L	72.3	Confident	81.9	Confident	81 Å²	81	31.7 Å²	31.7	42%	0.424	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-35.3	-176	-55.7	179.7	0	0	0	113.2	A469 Q472 G895	A469-L893 HydrophobicContact CB-CD1 3.94Å; A469-L893 HydrophobicContact CB-CD2 3.59Å; A469-L893 HydrophobicContact CB-CG 4.44Å; Q472-L893 PolarHBondContact NE2-O 3.09Å; Q472-L893 VanDerWaalsContact OE1-CD2 3.24Å; L893-G895 VanDerWaalsContact C-N 3.32Å
894	G	76.8	Confident	81.4	Confident	34 Å²	34	32.3 Å²	32.3	35%	0.351	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	19.8	169.9	0	0	0	0	0	114.8	P892 E898	P892-G894 VanDerWaalsContact C-N 3.34Å; P892-G894 PolarHBondContact O-N 2.98Å; G894-E898 VanDerWaalsContact CA-OE2 3.23Å; G894-E898 WeakPolarHBondContact CA-OE2 3.28Å; G894-E898 PolarHBondContact N-OE2 2.79Å
895	G	86	Confident	81.2	Confident	12 Å²	12	37.3 Å²	37.3	12%	0.124	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	69	-149.3	172.3	0	0	0	0	0	114.8	P892 L893 A897 E898	P892-G895 WeakPolarHBondContact O-CA 3.37Å; P892-G895 PolarHBondContact O-N 2.93Å; L893-G895 VanDerWaalsContact C-N 3.32Å; G895-A897 PolarHBondContact O-N 3.23Å; G895-E898 PolarHBondContact O-N 2.95Å
896	F	91.1	Very high	81	Confident	1 Å²	1	39.7 Å²	39.7	0%	0.004	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-68.4	-12.4	-178.4	-69.5	-86.9	0	0	0	113.3	V842 D846 W847 N850 M882 L891 E898	V842-F896 HydrophobicContact CG1-CE2 3.91Å; V842-F896 HydrophobicContact CG1-CZ 3.87Å; D846-F896 HydrophobicContact CB-CD2 4.45Å; D846-F896 WeakPolarHBondContact OD2-CB 3.5Å; D846-F896 WeakPolarHBondContact OD2-CD2 3.35Å; D846-F896 PolarHBondContact OD2-N 2.93Å; W847-F896 HydrophobicContact CB-CD1 4.4Å; W847-F896 HydrophobicContact CB-CD2 3.7Å; W847-F896 HydrophobicContact CB-CE1 4.25Å; W847-F896 HydrophobicContact CB-CE2 3.52Å; W847-F896 HydrophobicContact CB-CG 4.14Å; W847-F896 HydrophobicContact CB-CZ 3.81Å; W847-F896 AromaticContact CD1-CD1 3.54Å; W847-F896 AromaticContact CD1-CE1 3.37Å; W847-F896 AromaticContact CD1-CZ 3.75Å; W847-F896 AromaticContact CD2-CE1 3.86Å; W847-F896 HydrophobicContact CD2-CE1 3.86Å; W847-F896 HydrophobicContact CD2-CE2 4.18Å; W847-F896 AromaticContact CD2-CZ 3.56Å; W847-F896 HydrophobicContact CD2-CZ 3.56Å; W847-F896 AromaticContact CE2-CE1 3.81Å; W847-F896 AromaticContact CE2-CZ 3.94Å; W847-F896 HydrophobicContact CE3-CZ 4.06Å; W847-F896 AromaticContact CG-CD1 4Å; W847-F896 HydrophobicContact CG-CD1 4Å; W847-F896 HydrophobicContact CG-CD2 4.12Å; W847-F896 AromaticContact CG-CE1 3.6Å; W847-F896 HydrophobicContact CG-CE1 3.6Å; W847-F896 AromaticContact CG-CE2 3.73Å; W847-F896 HydrophobicContact CG-CE2 3.73Å; W847-F896 HydrophobicContact CG-CG 4.24Å; W847-F896 AromaticContact CG-CZ 3.45Å; W847-F896 HydrophobicContact CG-CZ 3.45Å; W847-F896 VanDerWaalsContact CG-CZ 3.45Å; W847-F896 AromaticContact NE1-CE1 3.53Å; N850-F896 HydrophobicContact CB-CB 3.83Å; M882-F896 HydrophobicContact SD-CE1 4.07Å; M882-F896 HydrophobicContact SD-CZ 3.78Å; L891-F896 HydrophobicContact CD1-CD2 3.98Å; L891-F896 HydrophobicContact CD1-CE2 3.46Å; L891-F896 VanDerWaalsContact CD1-CE2 3.46Å; L891-F896 HydrophobicContact CD1-CZ 3.81Å; L891-F896 HydrophobicContact CD2-CD1 4.05Å; L891-F896 HydrophobicContact CD2-CD2 4.35Å; L891-F896 HydrophobicContact CD2-CE1 3.78Å; L891-F896 HydrophobicContact CD2-CE2 4.1Å; L891-F896 HydrophobicContact CD2-CG 4.33Å; L891-F896 HydrophobicContact CD2-CZ 3.81Å; L891-F896 HydrophobicContact CG-CE2 4.44Å; L891-F896 HydrophobicContact CG-CZ 4.41Å; F896-E898 VanDerWaalsContact C-N 3.32Å
897	A	90.4	Very high	81.4	Confident	42 Å²	42	43.3 Å²	43.3	35%	0.347	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-66.6	-34.4	171.9	0	0	0	0	0	112.6	N850 G895 K907	N850-A897 WeakPolarHBondContact OD1-CA 3.05Å; G895-A897 PolarHBondContact O-N 3.23Å; A897-K907 VanDerWaalsContact O-CE 3.25Å; A897-K907 WeakPolarHBondContact O-CE 3.39Å
898	E	86.4	Confident	82.2	Confident	100 Å²	100	42.7 Å²	42.7	47%	0.467	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-105.7	17.9	-174.1	-63.2	-177.5	163.5	0	0	112.6	P892 G894 G895 F896 M900	P892-E898 HydrophobicContact CB-CB 3.94Å; P892-E898 HydrophobicContact CG-CB 4.41Å; P892-E898 WeakPolarHBondContact CG-O 3.33Å; G894-E898 VanDerWaalsContact CA-OE2 3.23Å; G894-E898 WeakPolarHBondContact CA-OE2 3.28Å; G894-E898 PolarHBondContact N-OE2 2.79Å; G895-E898 PolarHBondContact O-N 2.95Å; F896-E898 VanDerWaalsContact C-N 3.32Å; E898-M900 WeakPolarHBondContact O-CE 3.31Å; E898-M900 PolarHBondContact O-N 2.99Å
899	L	85.8	Confident	83	Confident	5 Å²	5	42.2 Å²	42.2	3%	0.026	24%	0.241	C	C	.	.			trans	-60.4	128.6	-178.3	-156.1	72.9	0	0	0	111	T886 L891 P892 Q906 F908 N927	T886-L899 HydrophobicContact CG2-CD2 4.14Å; L891-L899 HydrophobicContact CD2-CD1 3.94Å; P892-L899 HydrophobicContact CG-CD1 4.46Å; L899-Q906 CarbonylContact O-C 3.53Å; L899-Q906 VanDerWaalsContact O-C 3.31Å; L899-Q906 PolarHBondContact O-N 3.06Å; L899-F908 HydrophobicContact CD2-CB 3.99Å; L899-N927 HydrophobicContact CD2-CB 3.74Å
900	M	79.1	Confident	83.8	Confident	67 Å²	67	42.1 Å²	42.1	33%	0.33	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	151.4	-178.9	-64.5	-66	125.8	0	0	111.1	Y674 E898 P905 N927	Y674-M900 HydrophobicContact CD2-CB 3.82Å; Y674-M900 HydrophobicContact CE2-CB 4.25Å; Y674-M900 VanDerWaalsContact CE2-O 3.29Å; Y674-M900 WeakPolarHBondContact CE2-O 3.4Å; E898-M900 WeakPolarHBondContact O-CE 3.31Å; E898-M900 PolarHBondContact O-N 2.99Å; M900-P905 HydrophobicContact CE-CB 3.85Å; M900-P905 HydrophobicContact CE-CG 3.87Å; M900-P905 HydrophobicContact SD-CB 4.32Å; M900-P905 HydrophobicContact SD-CG 4.06Å; M900-N927 PolarHBondContact O-ND2 2.87Å
901	G	77.3	Confident	84.6	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	-171	168.4	0	0	0	0	0	110.4	S672 N903 G904 C925	S672-G901 PolarHBondContact OG-O 3.12Å; G901-N903 PolarHBondContact O-N 2.86Å; G901-N903 VanDerWaalsContact O-N 3.08Å; G901-G904 PolarHBondContact N-O 2.9Å; G901-G904 PolarHBondContact O-N 3.25Å; G901-C925 WeakPolarHBondContact CA-O 3.46Å
902	S	70.4	Confident	85.3	Confident	21 Å²	21	44.2 Å²	44.2	15%	0.147	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-33.1	-171.5	59.2	0	0	0	0	113.9	S672 C925	S672-S902 PolarHBondContact OG-O 3.06Å; S902-C925 PolarHBondContact N-O 2.9Å; S902-C925 PolarHBondContact OG-O 3.2Å
903	N	70.2	Confident	86	Confident	139 Å²	139	44.1 Å²	44.1	74%	0.743	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.5	16.7	-179.3	-65.4	-32.4	0	0	0	114	G901	G901-N903 PolarHBondContact O-N 2.86Å; G901-N903 VanDerWaalsContact O-N 3.08Å
904	G	76	Confident	87	Confident	14 Å²	14	41.9 Å²	41.9	14%	0.144	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	98	-144.2	-178.9	0	0	0	0	0	113.3	G901 Q906	G901-G904 PolarHBondContact N-O 2.9Å; G901-G904 PolarHBondContact O-N 3.25Å; G904-Q906 WeakPolarHBondContact O-CB 3.16Å; G904-Q906 PolarHBondContact O-N 3.38Å; G904-Q906 VanDerWaalsContact O-N 3.14Å
905	P	83.5	Confident	87.7	Confident	114 Å²	114	46.6 Å²	46.6	74%	0.74	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.2	115	-173.6	-22.8	32	0	0	0	113	M900	M900-P905 HydrophobicContact CE-CB 3.85Å; M900-P905 HydrophobicContact CE-CG 3.87Å; M900-P905 HydrophobicContact SD-CB 4.32Å; M900-P905 HydrophobicContact SD-CG 4.06Å
906	Q	86.2	Confident	87.9	Confident	51 Å²	51	47.7 Å²	47.7	24%	0.238	26%	0.26	C	S	.	.			trans	-149.9	93.8	-167.8	177.8	50.1	67.3	0	0	110.6	L899 G904 F926 N927	L899-Q906 CarbonylContact O-C 3.53Å; L899-Q906 VanDerWaalsContact O-C 3.31Å; L899-Q906 PolarHBondContact O-N 3.06Å; G904-Q906 WeakPolarHBondContact O-CB 3.16Å; G904-Q906 PolarHBondContact O-N 3.38Å; G904-Q906 VanDerWaalsContact O-N 3.14Å; Q906-F926 WeakPolarHBondContact CG-O 3.42Å; Q906-F926 PolarHBondContact NE2-O 3.21Å; Q906-F926 VanDerWaalsContact NE2-O 3.1Å; Q906-N927 PolarHBondContact O-ND2 2.82Å
907	K	93.8	Very high	87.9	Confident	78 Å²	78	52.6 Å²	52.6	34%	0.339	29%	0.29	S	S	.	.			trans	-65	155.6	-178.5	-61.3	-163.6	178.4	-167	0	113	N850 A897 C909	N850-K907 HydrophobicContact CB-CD 4.42Å; N850-K907 WeakPolarHBondContact O-CD 3.48Å; N850-K907 PolarHBondContact OD1-NZ 3.48Å; A897-K907 VanDerWaalsContact O-CE 3.25Å; A897-K907 WeakPolarHBondContact O-CE 3.39Å; K907-C909 PolarHBondContact O-N 2.97Å
908	F	97.1	Very high	87.9	Confident	1 Å²	1	55.7 Å²	55.7	0%	0.004	29%	0.292	C	S	.	.			trans	-54.6	127.6	173.5	-171	-84.2	0	0	0	110.7	W847 T851 V852 F866 V885 T886 L899 I910 N927	W847-F908 AromaticContact CE2-CE2 3.78Å; W847-F908 AromaticContact CE2-CZ 3.86Å; W847-F908 HydrophobicContact CZ2-CD2 4.32Å; W847-F908 HydrophobicContact CZ2-CE1 4.46Å; W847-F908 AromaticContact CZ2-CE2 3.57Å; W847-F908 HydrophobicContact CZ2-CE2 3.57Å; W847-F908 AromaticContact CZ2-CZ 3.67Å; W847-F908 HydrophobicContact CZ2-CZ 3.67Å; W847-F908 AromaticContact NE1-CD1 3.46Å; W847-F908 AromaticContact NE1-CD2 3.33Å; W847-F908 VanDerWaalsContact NE1-CD2 3.33Å; W847-F908 AromaticContact NE1-CE1 3.52Å; W847-F908 AromaticContact NE1-CE2 3.37Å; W847-F908 AromaticContact NE1-CG 3.37Å; W847-F908 AromaticContact NE1-CZ 3.48Å; T851-F908 WeakPolarHBondContact CA-O 3.17Å; T851-F908 HydrophobicContact CG2-CD1 3.8Å; T851-F908 HydrophobicContact CG2-CE1 4.36Å; T851-F908 WeakPolarHBondContact OG1-CD1 3.2Å; V852-F908 WeakPolarHBondContact CG2-O 3.29Å; V852-F908 PolarHBondContact N-O 2.87Å; F866-F908 HydrophobicContact CZ-CE1 4.22Å; F866-F908 HydrophobicContact CZ-CZ 4.17Å; V885-F908 HydrophobicContact CB-CD2 4.41Å; V885-F908 HydrophobicContact CB-CE2 3.62Å; V885-F908 HydrophobicContact CB-CZ 4.19Å; V885-F908 HydrophobicContact CG1-CD2 3.84Å; V885-F908 HydrophobicContact CG1-CE2 3.37Å; V885-F908 HydrophobicContact CG1-CZ 3.88Å; V885-F908 HydrophobicContact CG2-CE2 4.02Å; V885-F908 HydrophobicContact CG2-CZ 4.1Å; T886-F908 HydrophobicContact CG2-CD2 4.47Å; L899-F908 HydrophobicContact CD2-CB 3.99Å; F908-I910 HydrophobicContact CD1-CG1 4.41Å; F908-I910 HydrophobicContact CE1-CD1 4.14Å; F908-I910 HydrophobicContact CE1-CG1 3.84Å; F908-N927 WeakPolarHBondContact CA-O 3.16Å
909	C	97.4	Very high	88.1	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.014	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	133.2	-170.4	-179.2	0	0	0	0	111.5	V852 K907 N927 R928 L929	V852-C909 HydrophobicContact CG2-CB 3.74Å; V852-C909 WeakPolarHBondContact O-CA 3.44Å; K907-C909 PolarHBondContact O-N 2.97Å; C909-N927 PolarHBondContact N-O 2.95Å; C909-R928 HydrophobicContact CB-CB 4.37Å; C909-R928 HydrophobicContact CB-CG 4.28Å; C909-R928 CarbonylContact O-C 3.59Å; C909-R928 WeakPolarHBondContact O-CA 3.41Å; C909-L929 PolarHBondContact O-N 3.36Å
910	I	98.4	Very high	88.5	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	120.7	169.4	-51.5	-178	0	0	0	109.4	T851 V852 Y853 R854 Y856 I863 F866 F908 L929 L931	T851-I910 HydrophobicContact CG2-CD1 4.26Å; T851-I910 HydrophobicContact CG2-CG1 4.1Å; V852-I910 PolarHBondContact O-N 2.9Å; Y853-I910 WeakPolarHBondContact CA-O 3.48Å; Y853-I910 HydrophobicContact CD1-CB 4.22Å; Y853-I910 HydrophobicContact CE1-CD1 4.26Å; R854-I910 PolarHBondContact N-O 3.35Å; Y856-I910 HydrophobicContact CD2-CG2 4.22Å; Y856-I910 HydrophobicContact CE2-CG2 4.43Å; I863-I910 HydrophobicContact CD1-CB 4.07Å; I863-I910 HydrophobicContact CD1-CD1 4.13Å; I863-I910 HydrophobicContact CD1-CG2 3.67Å; F866-I910 HydrophobicContact CD1-CD1 3.64Å; F866-I910 HydrophobicContact CD2-CD1 4.23Å; F866-I910 HydrophobicContact CE1-CD1 3.61Å; F866-I910 HydrophobicContact CE2-CD1 4.19Å; F866-I910 HydrophobicContact CG-CD1 3.96Å; F866-I910 HydrophobicContact CZ-CD1 3.89Å; F908-I910 HydrophobicContact CD1-CG1 4.41Å; F908-I910 HydrophobicContact CE1-CD1 4.14Å; F908-I910 HydrophobicContact CE1-CG1 3.84Å; I910-L929 WeakPolarHBondContact CA-O 3.46Å; I910-L929 HydrophobicContact CG1-CB 4.48Å; I910-L929 HydrophobicContact CG1-CD2 4.45Å; I910-L931 HydrophobicContact CG2-CB 3.63Å; I910-L931 HydrophobicContact CG2-CD2 3.76Å; I910-L931 HydrophobicContact CG2-CG 4.36Å
911	E	98.1	Very high	89	Confident	26 Å²	26	54 Å²	54	12%	0.121	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	134.6	-177.4	-171.1	162.3	165.4	0	0	111.3	R854 V913 R928 L929 L931	R854-E911 HydrophobicContact CB-CB 3.91Å; R854-E911 HydrophobicContact CB-CG 3.6Å; R854-E911 WeakPolarHBondContact CD-OE2 3.29Å; R854-E911 IonicContact CZ-OE2 3.11Å; R854-E911 IonicContact NE-OE2 3.41Å; R854-E911 IonicContact NH1-OE2 2.67Å; R854-E911 PolarHBondContact NH1-OE2 3.01Å; R854-E911 WeakPolarHBondContact O-CA 3.49Å; E911-V913 HydrophobicContact CB-CG2 4.34Å; E911-V913 HydrophobicContact CG-CG2 3.94Å; E911-V913 PolarHBondContact O-N 3.36Å; E911-R928 HydrophobicContact CB-CG 4.19Å; E911-R928 VanDerWaalsContact CD-NH1 3.34Å; E911-R928 IonicContact OE1-NH1 3.24Å; E911-R928 WeakPolarHBondContact OE2-CD 3.4Å; E911-R928 IonicContact OE2-CZ 2.77Å; E911-R928 IonicContact OE2-NE 2.81Å; E911-R928 IonicContact OE2-NH1 2.73Å; E911-R928 PolarHBondContact OE2-NH1 2.69Å; E911-L929 PolarHBondContact N-O 3.21Å; E911-L931 PolarHBondContact O-N 3.02Å
912	K	97.6	Very high	89.5	Confident	101 Å²	101	54.4 Å²	54.4	44%	0.439	28%	0.284	S	S	.	.			trans	-78	105.6	176.9	-178.2	-178.4	164.3	178.1	0	110.6	R854 H855 Y856 P933	R854-K912 PolarHBondContact O-N 3.08Å; H855-K912 HydrophobicContact CB-CB 3.85Å; Y856-K912 HydrophobicContact CD1-CB 4.21Å; Y856-K912 HydrophobicContact CD1-CD 4.32Å; Y856-K912 HydrophobicContact CD2-CB 3.66Å; Y856-K912 HydrophobicContact CE1-CB 4.03Å; Y856-K912 HydrophobicContact CE1-CD 3.92Å; Y856-K912 HydrophobicContact CE1-CG 3.99Å; Y856-K912 VanDerWaalsContact CE2-CA 3.46Å; Y856-K912 HydrophobicContact CE2-CB 3.44Å; Y856-K912 VanDerWaalsContact CE2-CB 3.44Å; Y856-K912 HydrophobicContact CE2-CG 4.03Å; Y856-K912 HydrophobicContact CG-CB 4.03Å; K912-P933 HydrophobicContact CD-CB 4.49Å; K912-P933 HydrophobicContact CG-CB 4.48Å
913	V	92.8	Very high	90.1	Very high	37 Å²	37	55.2 Å²	55.2	22%	0.224	29%	0.286	C	S	.	.			trans	-130.9	145.9	-179.5	-173.5	0	0	0	0	110.3	E911 D930 P932	E911-V913 HydrophobicContact CB-CG2 4.34Å; E911-V913 HydrophobicContact CG-CG2 3.94Å; E911-V913 PolarHBondContact O-N 3.36Å; V913-D930 HydrophobicContact CB-CB 4.03Å; V913-D930 HydrophobicContact CG2-CB 4.1Å; V913-P932 VanDerWaalsContact O-CA 3.3Å; V913-P932 WeakPolarHBondContact O-CA 3.37Å
914	G	91.9	Very high	90.7	Very high	34 Å²	34	49.6 Å²	49.6	35%	0.351	26%	0.256	S	S	.	.	S	Bend	trans	81.1	-163.5	168	0	0	0	0	0	116.9	W918	G914-W918 VanDerWaalsContact CA-CZ3 3.48Å
915	K	92.1	Very high	90.8	Very high	134 Å²	134	49.3 Å²	49.3	58%	0.583	25%	0.252	S	S	*	.			trans	-111.3	157.7	-177.9	-61.7	176.1	-176	172	0	110.2	T917 W918 P932	K915-T917 PolarHBondContact O-N 2.86Å; K915-W918 HydrophobicContact CB-CG 4.49Å; K915-W918 WeakPolarHBondContact O-CB 3.37Å; K915-W918 PolarHBondContact O-N 3.41Å; K915-P932 WeakPolarHBondContact O-CB 3.31Å
916	D	90.9	Very high	90.8	Very high	35 Å²	35	47.5 Å²	47.5	19%	0.187	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-7.8	-179.4	68.2	-73.3	0	0	0	114.9	Y934 K935 Q939	D916-Y934 HydrophobicContact CB-CD1 4.26Å; D916-Y934 WeakPolarHBondContact O-CD1 3.26Å; D916-Y934 WeakPolarHBondContact O-CE1 3.33Å; D916-K935 IonicContact OD1-NZ 3.86Å; D916-K935 PolarHBondContact OD1-NZ 3.15Å; D916-K935 WeakPolarHBondContact OD2-CD 3.35Å; D916-K935 WeakPolarHBondContact OD2-CE 3.17Å; D916-K935 IonicContact OD2-NZ 2.65Å; D916-K935 PolarHBondContact OD2-NZ 3.15Å; D916-Q939 PolarHBondContact O-NE2 2.78Å
917	T	91.6	Very high	91	Very high	104 Å²	104	45 Å²	45	64%	0.638	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-18.8	169.7	53.6	0	0	0	0	113.8	K915	K915-T917 PolarHBondContact O-N 2.86Å
918	W	89.9	Confident	91	Very high	107 Å²	107	43.4 Å²	43.4	41%	0.405	21%	0.213	S	C	.	.	S	Bend	trans	-78.5	154.5	-176.2	-67.1	0.6	0	0	0	111.8	G914 K915 P932 Y934	G914-W918 VanDerWaalsContact CA-CZ3 3.48Å; K915-W918 HydrophobicContact CB-CG 4.49Å; K915-W918 WeakPolarHBondContact O-CB 3.37Å; K915-W918 PolarHBondContact O-N 3.41Å; W918-P932 HydrophobicContact CB-CG 4.22Å; W918-Y934 WeakPolarHBondContact O-CE1 3.34Å; W918-Y934 PolarHBondContact O-OH 2.95Å
919	L	90.8	Very high	91	Very high	52 Å²	52	43.4 Å²	43.4	27%	0.272	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-74.8	153.6	165.1	-74.5	166.9	0	0	0	110.3	K943 F946 A947 F954	L919-K943 HydrophobicContact CD2-CB 4.18Å; L919-K943 HydrophobicContact CD2-CD 3.66Å; L919-F946 HydrophobicContact CD1-CD1 3.95Å; L919-F946 HydrophobicContact CD1-CE1 3.92Å; L919-F946 HydrophobicContact CD2-CD1 3.73Å; L919-F946 HydrophobicContact CD2-CE1 4.47Å; L919-A947 HydrophobicContact CD2-CB 4.43Å; L919-F954 HydrophobicContact CD1-CE1 4.13Å
920	P	93.6	Very high	91	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-70.6	151.7	169.9	32.8	-31.9	0	0	0	109.7	L929 D930 L931 Y934 K943 L944 A947	P920-L929 HydrophobicContact CB-CD1 4.17Å; P920-D930 VanDerWaalsContact CA-O 3.27Å; P920-D930 WeakPolarHBondContact CA-O 3.28Å; P920-D930 WeakPolarHBondContact CB-O 3.35Å; P920-L931 HydrophobicContact CB-CD1 4.36Å; P920-Y934 VanDerWaalsContact CD-OH 3.27Å; P920-Y934 WeakPolarHBondContact CD-OH 3.48Å; P920-K943 VanDerWaalsContact CD-O 3.29Å; P920-K943 WeakPolarHBondContact CD-O 3.46Å; P920-L944 HydrophobicContact CB-CD1 4.32Å; P920-L944 HydrophobicContact CG-CB 4.39Å; P920-L944 HydrophobicContact CG-CD1 3.77Å; P920-A947 HydrophobicContact CG-CB 3.67Å
921	R	88.7	Confident	90.9	Very high	84 Å²	84	43.5 Å²	43.5	32%	0.317	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	159.7	-176.6	-52.9	-178.5	-54.4	-174.2	7.7	110.3	D930 E957	R921-D930 HydrophobicContact CB-CB 4.14Å; R921-D930 IonicContact CZ-OD2 3.09Å; R921-D930 PolarHBondContact N-O 2.64Å; R921-D930 IonicContact NE-OD2 2.73Å; R921-D930 IonicContact NH2-OD2 3.33Å; R921-D930 PolarHBondContact NH2-OD2 2.69Å; R921-D930 WeakPolarHBondContact O-CB 3.22Å; R921-D930 PolarHBondContact O-N 2.95Å; R921-E957 IonicContact NH1-OE1 2.85Å
922	S	87.6	Confident	90.9	Very high	8 Å²	8	42.4 Å²	42.4	6%	0.056	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	150.6	177.3	57.8	0	0	0	0	113.2	K729 F884 R928	K729-S922 PolarHBondContact NZ-O 3.3Å; K729-S922 VanDerWaalsContact NZ-O 3.09Å; F884-S922 WeakPolarHBondContact O-CB 3.44Å; F884-S922 PolarHBondContact O-OG 2.87Å; S922-R928 VanDerWaalsContact CA-O 3.29Å; S922-R928 WeakPolarHBondContact CA-O 3.24Å
923	H	84.6	Confident	90.9	Very high	39 Å²	39	39.1 Å²	39.1	18%	0.181	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	97.6	167.5	-60.3	-84.3	0	0	0	108.5	E732 C925 F926 N927 R928 D930	E732-H923 IonicContact OE1-CE1 2.77Å; E732-H923 IonicContact OE1-CG 3.23Å; E732-H923 IonicContact OE1-ND1 3.76Å; E732-H923 PolarHBondContact OE1-ND1 3.03Å; H923-C925 PolarHBondContact O-N 3.26Å; H923-F926 HydrophobicContact CB-CD2 3.95Å; H923-F926 PolarHBondContact O-N 2.74Å; H923-F926 VanDerWaalsContact O-N 3.12Å; H923-N927 PolarHBondContact O-N 3.2Å; H923-R928 HydrophobicContact CB-CB 4.44Å; H923-R928 PolarHBondContact CD2-NH2 3.09Å; H923-R928 PolarHBondContact N-O 3.47Å; H923-R928 PolarHBondContact NE2-NH2 2.91Å; H923-R928 PolarHBondContact O-N 3.19Å; H923-R928 VanDerWaalsContact O-N 3.15Å; H923-D930 IonicContact CD2-OD1 3.78Å; H923-D930 IonicContact NE2-OD1 2.74Å; H923-D930 IonicContact NE2-OD2 3.45Å
924	T	82.8	Confident	91.1	Very high	21 Å²	21	37.4 Å²	37.4	13%	0.129	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-61.9	-42.4	-171.6	52	0	0	0	0	112.4	V885 T886 F926 N927	V885-T924 WeakPolarHBondContact O-CA 3.27Å; T886-T924 WeakPolarHBondContact O-CB 3.28Å; T924-F926 PolarHBondContact O-N 2.87Å; T924-N927 PolarHBondContact O-N 3.22Å; T924-N927 PolarHBondContact O-OD1 3.38Å
925	C	77.3	Confident	91.4	Very high	8 Å²	8	43 Å²	43	5%	0.054	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-57.8	-18.3	176.4	-70.5	0	0	0	0	115.1	E732 P736 G901 S902 H923	E732-C925 PolarHBondContact O-SG 3.03Å; P736-C925 HydrophobicContact CG-CB 4.46Å; G901-C925 WeakPolarHBondContact CA-O 3.46Å; S902-C925 PolarHBondContact N-O 2.9Å; S902-C925 PolarHBondContact OG-O 3.2Å; H923-C925 PolarHBondContact O-N 3.26Å
926	F	84.6	Confident	91.7	Very high	75 Å²	75	39 Å²	39	33%	0.329	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-115.1	5.3	176.6	-54.6	-58.6	0	0	0	113.6	Q906 H923 T924 R928	Q906-F926 WeakPolarHBondContact CG-O 3.42Å; Q906-F926 PolarHBondContact NE2-O 3.21Å; Q906-F926 VanDerWaalsContact NE2-O 3.1Å; H923-F926 HydrophobicContact CB-CD2 3.95Å; H923-F926 PolarHBondContact O-N 2.74Å; H923-F926 VanDerWaalsContact O-N 3.12Å; T924-F926 PolarHBondContact O-N 2.87Å; F926-R928 HydrophobicContact CB-CB 4.19Å; F926-R928 PolarHBondContact O-N 2.92Å
927	N	90.1	Very high	92	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.1	38.9	-170.6	-62.7	-53.5	0	0	0	112.7	V885 T886 L899 M900 Q906 F908 C909 H923 T924	V885-N927 WeakPolarHBondContact CG1-O 3.34Å; V885-N927 WeakPolarHBondContact O-CA 3.21Å; T886-N927 VanDerWaalsContact CA-OD1 3.29Å; T886-N927 WeakPolarHBondContact CA-OD1 3.3Å; T886-N927 VanDerWaalsContact CB-OD1 3.25Å; T886-N927 WeakPolarHBondContact CB-OD1 3.07Å; T886-N927 HydrophobicContact CG2-CB 4.5Å; T886-N927 WeakPolarHBondContact CG2-OD1 3.46Å; L899-N927 HydrophobicContact CD2-CB 3.74Å; M900-N927 PolarHBondContact O-ND2 2.87Å; Q906-N927 PolarHBondContact O-ND2 2.82Å; F908-N927 WeakPolarHBondContact CA-O 3.16Å; C909-N927 PolarHBondContact N-O 2.95Å; H923-N927 PolarHBondContact O-N 3.2Å; T924-N927 PolarHBondContact O-N 3.22Å; T924-N927 PolarHBondContact O-OD1 3.38Å
928	R	94.1	Very high	92.3	Very high	44 Å²	44	39.2 Å²	39.2	17%	0.166	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	130.6	-170.9	-171.7	177.3	83.6	-169.1	-10.7	112.7	C909 E911 S922 H923 F926 D930	C909-R928 HydrophobicContact CB-CB 4.37Å; C909-R928 HydrophobicContact CB-CG 4.28Å; C909-R928 CarbonylContact O-C 3.59Å; C909-R928 WeakPolarHBondContact O-CA 3.41Å; E911-R928 HydrophobicContact CB-CG 4.19Å; E911-R928 VanDerWaalsContact CD-NH1 3.34Å; E911-R928 IonicContact OE1-NH1 3.24Å; E911-R928 WeakPolarHBondContact OE2-CD 3.4Å; E911-R928 IonicContact OE2-CZ 2.77Å; E911-R928 IonicContact OE2-NE 2.81Å; E911-R928 IonicContact OE2-NH1 2.73Å; E911-R928 PolarHBondContact OE2-NH1 2.69Å; S922-R928 VanDerWaalsContact CA-O 3.29Å; S922-R928 WeakPolarHBondContact CA-O 3.24Å; H923-R928 HydrophobicContact CB-CB 4.44Å; H923-R928 PolarHBondContact CD2-NH2 3.09Å; H923-R928 PolarHBondContact N-O 3.47Å; H923-R928 PolarHBondContact NE2-NH2 2.91Å; H923-R928 PolarHBondContact O-N 3.19Å; H923-R928 VanDerWaalsContact O-N 3.15Å; F926-R928 HydrophobicContact CB-CB 4.19Å; F926-R928 PolarHBondContact O-N 2.92Å; R928-D930 IonicContact CZ-OD1 3.2Å; R928-D930 VanDerWaalsContact CZ-OD1 3.27Å; R928-D930 IonicContact NE-OD1 2.76Å; R928-D930 PolarHBondContact NE-OD1 2.68Å; R928-D930 IonicContact NH2-OD1 3.63Å; R928-D930 PolarHBondContact NH2-OD1 2.83Å
929	L	96.4	Very high	92.6	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	112.6	164.4	-179	65.3	0	0	0	109.8	F866 F884 V885 C909 I910 E911 P920 L931 L944	F866-L929 HydrophobicContact CD2-CD2 4.05Å; F866-L929 HydrophobicContact CE2-CD2 3.51Å; F866-L929 HydrophobicContact CZ-CD2 4.27Å; F884-L929 HydrophobicContact CD1-CD1 4.26Å; F884-L929 HydrophobicContact CE1-CD1 3.78Å; V885-L929 HydrophobicContact CG1-CB 4.24Å; V885-L929 HydrophobicContact CG2-CB 3.96Å; V885-L929 HydrophobicContact CG2-CD1 4.05Å; V885-L929 HydrophobicContact CG2-CG 4.43Å; C909-L929 PolarHBondContact O-N 3.36Å; I910-L929 WeakPolarHBondContact CA-O 3.46Å; I910-L929 HydrophobicContact CG1-CB 4.48Å; I910-L929 HydrophobicContact CG1-CD2 4.45Å; E911-L929 PolarHBondContact N-O 3.21Å; P920-L929 HydrophobicContact CB-CD1 4.17Å; L929-L931 HydrophobicContact CD2-CB 4.47Å; L929-L931 HydrophobicContact CG-CB 4.31Å; L929-L931 PolarHBondContact O-N 3.15Å; L929-L944 HydrophobicContact CD1-CD1 4.4Å
930	D	96.3	Very high	92.9	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.021	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	106.8	162.7	-77.3	20.4	0	0	0	107.4	V913 P920 R921 H923 R928	V913-D930 HydrophobicContact CB-CB 4.03Å; V913-D930 HydrophobicContact CG2-CB 4.1Å; P920-D930 VanDerWaalsContact CA-O 3.27Å; P920-D930 WeakPolarHBondContact CA-O 3.28Å; P920-D930 WeakPolarHBondContact CB-O 3.35Å; R921-D930 HydrophobicContact CB-CB 4.14Å; R921-D930 IonicContact CZ-OD2 3.09Å; R921-D930 PolarHBondContact N-O 2.64Å; R921-D930 IonicContact NE-OD2 2.73Å; R921-D930 IonicContact NH2-OD2 3.33Å; R921-D930 PolarHBondContact NH2-OD2 2.69Å; R921-D930 WeakPolarHBondContact O-CB 3.22Å; R921-D930 PolarHBondContact O-N 2.95Å; H923-D930 IonicContact CD2-OD1 3.78Å; H923-D930 IonicContact NE2-OD1 2.74Å; H923-D930 IonicContact NE2-OD2 3.45Å; R928-D930 IonicContact CZ-OD1 3.2Å; R928-D930 VanDerWaalsContact CZ-OD1 3.27Å; R928-D930 IonicContact NE-OD1 2.76Å; R928-D930 PolarHBondContact NE-OD1 2.68Å; R928-D930 IonicContact NH2-OD1 3.63Å; R928-D930 PolarHBondContact NH2-OD1 2.83Å
931	L	97.6	Very high	93.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.171	C	C	.	.			trans	-113.2	107.6	-176.4	-178.3	65.4	0	0	0	111.3	Y856 Q862 I863 F866 I910 E911 P920 L929 Y934 L940	Y856-L931 HydrophobicContact CE2-CB 4.17Å; Y856-L931 HydrophobicContact CE2-CD2 4.43Å; Y856-L931 HydrophobicContact CE2-CG 4.45Å; Y856-L931 VanDerWaalsContact CE2-O 3.27Å; Y856-L931 WeakPolarHBondContact CE2-O 3.31Å; Y856-L931 PolarHBondContact OH-O 3.5Å; Q862-L931 HydrophobicContact CB-CD2 4.32Å; I863-L931 HydrophobicContact CD1-CD2 4.3Å; F866-L931 HydrophobicContact CB-CD2 4.39Å; I910-L931 HydrophobicContact CG2-CB 3.63Å; I910-L931 HydrophobicContact CG2-CD2 3.76Å; I910-L931 HydrophobicContact CG2-CG 4.36Å; E911-L931 PolarHBondContact O-N 3.02Å; P920-L931 HydrophobicContact CB-CD1 4.36Å; L929-L931 HydrophobicContact CD2-CB 4.47Å; L929-L931 HydrophobicContact CG-CB 4.31Å; L929-L931 PolarHBondContact O-N 3.15Å; L931-Y934 HydrophobicContact CD1-CD2 4.41Å; L931-Y934 HydrophobicContact CD1-CE2 4.03Å; L931-L940 HydrophobicContact CD1-CD1 4.24Å; L931-L940 HydrophobicContact CD1-CG 4.43Å; L931-L940 HydrophobicContact CD2-CD1 4.28Å
932	P	97.8	Very high	93.3	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.019	18%	0.181	C	C	.	.			trans	-61.6	154.2	-179.5	-26.1	35.4	0	0	0	114.6	Y856 V913 K915 W918 Y934	Y856-P932 PolarHBondContact OH-O 2.74Å; V913-P932 VanDerWaalsContact O-CA 3.3Å; V913-P932 WeakPolarHBondContact O-CA 3.37Å; K915-P932 WeakPolarHBondContact O-CB 3.31Å; W918-P932 HydrophobicContact CB-CG 4.22Å; P932-Y934 HydrophobicContact CB-CD1 4.42Å; P932-Y934 HydrophobicContact CB-CE1 3.89Å; P932-Y934 HydrophobicContact CB-CE2 4.19Å; P932-Y934 HydrophobicContact CG-CE1 4.36Å; P932-Y934 HydrophobicContact CG-CE2 4.38Å; P932-Y934 WeakPolarHBondContact CG-OH 3.14Å; P932-Y934 WeakPolarHBondContact O-CD2 3.44Å; P932-Y934 PolarHBondContact O-N 2.8Å
933	P	97.2	Very high	93.6	Very high	33 Å²	33	39.9 Å²	39.9	21%	0.214	19%	0.189	C	C	.	.			trans	-79.6	63.9	-176.9	33.6	-36.1	0	0	0	112.2	Y856 K912	Y856-P933 WeakPolarHBondContact OH-CA 3.49Å; K912-P933 HydrophobicContact CD-CB 4.49Å; K912-P933 HydrophobicContact CG-CB 4.48Å
934	Y	98.1	Very high	94	Very high	1 Å²	1	38.1 Å²	38.1	0%	0.004	18%	0.181	C	C	.	.			trans	-54	154	178.5	-60.4	-56.3	0	0	0	113.1	Q862 W865 D916 W918 P920 L931 P932 Q939 L940 K943	Q862-Y934 PolarHBondContact NE2-O 3.16Å; W865-Y934 WeakPolarHBondContact CZ3-O 3.37Å; D916-Y934 HydrophobicContact CB-CD1 4.26Å; D916-Y934 WeakPolarHBondContact O-CD1 3.26Å; D916-Y934 WeakPolarHBondContact O-CE1 3.33Å; W918-Y934 WeakPolarHBondContact O-CE1 3.34Å; W918-Y934 PolarHBondContact O-OH 2.95Å; P920-Y934 VanDerWaalsContact CD-OH 3.27Å; P920-Y934 WeakPolarHBondContact CD-OH 3.48Å; L931-Y934 HydrophobicContact CD1-CD2 4.41Å; L931-Y934 HydrophobicContact CD1-CE2 4.03Å; P932-Y934 HydrophobicContact CB-CD1 4.42Å; P932-Y934 HydrophobicContact CB-CE1 3.89Å; P932-Y934 HydrophobicContact CB-CE2 4.19Å; P932-Y934 HydrophobicContact CG-CE1 4.36Å; P932-Y934 HydrophobicContact CG-CE2 4.38Å; P932-Y934 WeakPolarHBondContact CG-OH 3.14Å; P932-Y934 WeakPolarHBondContact O-CD2 3.44Å; P932-Y934 PolarHBondContact O-N 2.8Å; Y934-Q939 HydrophobicContact CD1-CG 3.76Å; Y934-Q939 HydrophobicContact CG-CG 4.21Å; Y934-L940 HydrophobicContact CD2-CB 3.75Å; Y934-L940 HydrophobicContact CD2-CD1 4.19Å; Y934-L940 HydrophobicContact CD2-CG 3.94Å; Y934-L940 HydrophobicContact CG-CB 4.33Å; Y934-K943 HydrophobicContact CE1-CB 4.17Å; Y934-K943 HydrophobicContact CE1-CG 3.99Å; Y934-K943 HydrophobicContact CE2-CB 4.26Å
935	K	97.3	Very high	94.4	Very high	152 Å²	152	39.1 Å²	39.1	66%	0.661	19%	0.185	S	C	*	.	S	Bend	trans	-92.1	-20.9	-172.7	-69.4	167.1	-179.6	146.8	0	113.5	W865 D916	W865-K935 WeakPolarHBondContact CH2-O 3.35Å; D916-K935 IonicContact OD1-NZ 3.86Å; D916-K935 PolarHBondContact OD1-NZ 3.15Å; D916-K935 WeakPolarHBondContact OD2-CD 3.35Å; D916-K935 WeakPolarHBondContact OD2-CE 3.17Å; D916-K935 IonicContact OD2-NZ 2.65Å; D916-K935 PolarHBondContact OD2-NZ 3.15Å
936	S	98	Very high	95	Very high	49 Å²	49	44 Å²	44	34%	0.343	21%	0.206	S	C	.	.	S	Bend	trans	-140.8	166.6	179.4	69.1	0	0	0	0	112.8	Q939 L940	S936-Q939 WeakPolarHBondContact OG-CB 3.37Å; S936-Q939 PolarHBondContact OG-N 3.13Å; S936-L940 PolarHBondContact O-N 3.26Å
937	Y	97.9	Very high	95.2	Very high	24 Å²	24	40.4 Å²	40.4	9%	0.094	19%	0.19	C	C	.	.	H	α-helix	trans	-61.3	-50.5	172.1	179.1	-121.6	0	0	0	111.6	W865 Q868 L869 E872 Q939 L940 K941	W865-Y937 HydrophobicContact CB-CD2 3.76Å; W865-Y937 HydrophobicContact CB-CE2 4.4Å; W865-Y937 AromaticContact CD1-CD2 3.81Å; W865-Y937 AromaticContact CG-CD2 3.86Å; W865-Y937 HydrophobicContact CG-CD2 3.86Å; W865-Y937 WeakPolarHBondContact O-CE2 3.36Å; Q868-Y937 HydrophobicContact CB-CE2 4.08Å; Q868-Y937 HydrophobicContact CG-CE2 3.99Å; L869-Y937 VanDerWaalsContact CA-OH 3.32Å; L869-Y937 WeakPolarHBondContact CA-OH 3.35Å; L869-Y937 HydrophobicContact CB-CE2 4.13Å; L869-Y937 PolarHBondContact N-OH 2.84Å; E872-Y937 PolarHBondContact OE1-OH 2.75Å; E872-Y937 VanDerWaalsContact OE1-OH 3.05Å; E872-Y937 PolarHBondContact OE2-OH 3.34Å; Y937-Q939 VanDerWaalsContact C-N 3.32Å; Y937-Q939 PolarHBondContact O-N 2.93Å; Y937-L940 WeakPolarHBondContact O-CB 3.44Å; Y937-L940 PolarHBondContact O-N 3.34Å; Y937-L940 VanDerWaalsContact O-N 3.09Å; Y937-K941 HydrophobicContact CE1-CD 3.92Å; Y937-K941 WeakPolarHBondContact O-CB 3.47Å; Y937-K941 PolarHBondContact O-N 2.95Å
938	E	97.1	Very high	95	Very high	120 Å²	120	40.7 Å²	40.7	56%	0.561	19%	0.192	S	C	*	.	H	α-helix	trans	-61.1	-38	-178.3	-52.5	-49.5	144.8	0	0	112.8	L940 K941 E942	E938-L940 VanDerWaalsContact C-N 3.34Å; E938-L940 PolarHBondContact O-N 3.19Å; E938-K941 PolarHBondContact O-N 3.16Å; E938-E942 WeakPolarHBondContact O-CB 3.37Å; E938-E942 PolarHBondContact O-N 3.41Å
939	Q	96.9	Very high	94.3	Very high	40 Å²	40	42.7 Å²	42.7	19%	0.187	20%	0.203	C	C	.	.	H	α-helix	trans	-63.8	-39.7	175.9	-173	-175.1	25.6	0	0	111.6	D916 Y934 S936 Y937 K943	D916-Q939 PolarHBondContact O-NE2 2.78Å; Y934-Q939 HydrophobicContact CD1-CG 3.76Å; Y934-Q939 HydrophobicContact CG-CG 4.21Å; S936-Q939 WeakPolarHBondContact OG-CB 3.37Å; S936-Q939 PolarHBondContact OG-N 3.13Å; Y937-Q939 VanDerWaalsContact C-N 3.32Å; Y937-Q939 PolarHBondContact O-N 2.93Å; Q939-K943 VanDerWaalsContact O-CB 3.31Å; Q939-K943 WeakPolarHBondContact O-CB 3.3Å; Q939-K943 WeakPolarHBondContact O-CG 3.22Å; Q939-K943 PolarHBondContact O-N 3.05Å; Q939-K943 VanDerWaalsContact O-N 3.13Å
940	L	97.8	Very high	93	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-67.3	-41.8	174.6	-176.8	152	0	0	0	111	Q862 W865 L869 L931 Y934 S936 Y937 E938 L944	Q862-L940 HydrophobicContact CB-CD1 4.09Å; Q862-L940 WeakPolarHBondContact O-CD1 3.44Å; W865-L940 HydrophobicContact CB-CD1 3.95Å; L869-L940 HydrophobicContact CD2-CD2 4.28Å; L931-L940 HydrophobicContact CD1-CD1 4.24Å; L931-L940 HydrophobicContact CD1-CG 4.43Å; L931-L940 HydrophobicContact CD2-CD1 4.28Å; Y934-L940 HydrophobicContact CD2-CB 3.75Å; Y934-L940 HydrophobicContact CD2-CD1 4.19Å; Y934-L940 HydrophobicContact CD2-CG 3.94Å; Y934-L940 HydrophobicContact CG-CB 4.33Å; S936-L940 PolarHBondContact O-N 3.26Å; Y937-L940 WeakPolarHBondContact O-CB 3.44Å; Y937-L940 PolarHBondContact O-N 3.34Å; Y937-L940 VanDerWaalsContact O-N 3.09Å; E938-L940 VanDerWaalsContact C-N 3.34Å; E938-L940 PolarHBondContact O-N 3.19Å; L940-L944 HydrophobicContact CD2-CD2 4.31Å; L940-L944 WeakPolarHBondContact O-CB 3.3Å; L940-L944 PolarHBondContact O-N 3.37Å
941	K	96.1	Very high	91.2	Very high	58 Å²	58	47 Å²	47	25%	0.252	22%	0.224	S	C	.	.	H	α-helix	trans	-61.8	-53.7	179.2	-179.1	162.2	-172.6	171.9	0	111.9	L869 E872 Y937 E938 L945	L869-K941 HydrophobicContact CD1-CB 4.26Å; L869-K941 HydrophobicContact CD1-CD 3.78Å; L869-K941 HydrophobicContact CD1-CG 3.63Å; E872-K941 IonicContact OE2-NZ 3.44Å; E872-K941 PolarHBondContact OE2-NZ 2.75Å; Y937-K941 HydrophobicContact CE1-CD 3.92Å; Y937-K941 WeakPolarHBondContact O-CB 3.47Å; Y937-K941 PolarHBondContact O-N 2.95Å; E938-K941 PolarHBondContact O-N 3.16Å; K941-L945 HydrophobicContact CG-CD1 3.93Å; K941-L945 WeakPolarHBondContact O-CB 3.17Å; K941-L945 VanDerWaalsContact O-CG 3.24Å; K941-L945 WeakPolarHBondContact O-CG 3.41Å; K941-L945 PolarHBondContact O-N 3.23Å
942	E	93.2	Very high	88.7	Confident	112 Å²	112	50.6 Å²	50.6	52%	0.523	24%	0.241	S	C	.	.	H	α-helix	trans	-54.8	-55.7	175.2	-176.3	-151.3	123.3	0	0	111.3	E938 L944 F946	E938-E942 WeakPolarHBondContact O-CB 3.37Å; E938-E942 PolarHBondContact O-N 3.41Å; E942-L944 PolarHBondContact O-N 2.88Å; E942-F946 VanDerWaalsContact O-CB 3.29Å; E942-F946 WeakPolarHBondContact O-CB 3.3Å; E942-F946 PolarHBondContact O-N 2.87Å
943	K	94.3	Very high	85.9	Confident	55 Å²	55	53 Å²	53	24%	0.239	27%	0.267	C	S	.	.	H	α-helix	trans	-69	-31.5	-174	-65.1	-65.4	176.6	-140.2	0	113.4	L919 P920 Y934 Q939 A947	L919-K943 HydrophobicContact CD2-CB 4.18Å; L919-K943 HydrophobicContact CD2-CD 3.66Å; P920-K943 VanDerWaalsContact CD-O 3.29Å; P920-K943 WeakPolarHBondContact CD-O 3.46Å; Y934-K943 HydrophobicContact CE1-CB 4.17Å; Y934-K943 HydrophobicContact CE1-CG 3.99Å; Y934-K943 HydrophobicContact CE2-CB 4.26Å; Q939-K943 VanDerWaalsContact O-CB 3.31Å; Q939-K943 WeakPolarHBondContact O-CB 3.3Å; Q939-K943 WeakPolarHBondContact O-CG 3.22Å; Q939-K943 PolarHBondContact O-N 3.05Å; Q939-K943 VanDerWaalsContact O-N 3.13Å; K943-A947 VanDerWaalsContact O-CB 3.28Å; K943-A947 WeakPolarHBondContact O-CB 3.35Å; K943-A947 PolarHBondContact O-N 3.18Å
944	L	93.9	Very high	83.1	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-80.5	-39.5	178.4	-173.9	55.5	0	0	0	112.5	F866 L869 L881 P920 L929 L940 E942 A947 I948	F866-L944 HydrophobicContact CD2-CD2 3.71Å; F866-L944 HydrophobicContact CE2-CD2 3.89Å; L869-L944 HydrophobicContact CD2-CB 4.43Å; L869-L944 HydrophobicContact CD2-CD2 4.09Å; L881-L944 HydrophobicContact CD1-CD1 3.99Å; L881-L944 HydrophobicContact CD1-CG 4.45Å; P920-L944 HydrophobicContact CB-CD1 4.32Å; P920-L944 HydrophobicContact CG-CB 4.39Å; P920-L944 HydrophobicContact CG-CD1 3.77Å; L929-L944 HydrophobicContact CD1-CD1 4.4Å; L940-L944 HydrophobicContact CD2-CD2 4.31Å; L940-L944 WeakPolarHBondContact O-CB 3.3Å; L940-L944 PolarHBondContact O-N 3.37Å; E942-L944 PolarHBondContact O-N 2.88Å; L944-A947 PolarHBondContact O-N 2.81Å; L944-I948 HydrophobicContact CD1-CG2 4.37Å; L944-I948 PolarHBondContact O-N 3.12Å
945	L	91.4	Very high	79.9	Confident	41 Å²	41	59.2 Å²	59.2	22%	0.215	31%	0.311	C	S	.	.	H	α-helix	trans	-63.7	-46.6	173.8	-68.8	174.1	0	0	0	111	V873 V877 K941 A947 I948 E949	V873-L945 HydrophobicContact CG1-CD2 4.36Å; V877-L945 HydrophobicContact CG1-CD2 3.82Å; K941-L945 HydrophobicContact CG-CD1 3.93Å; K941-L945 WeakPolarHBondContact O-CB 3.17Å; K941-L945 VanDerWaalsContact O-CG 3.24Å; K941-L945 WeakPolarHBondContact O-CG 3.41Å; K941-L945 PolarHBondContact O-N 3.23Å; L945-A947 VanDerWaalsContact C-N 3.3Å; L945-A947 PolarHBondContact O-N 3.06Å; L945-I948 HydrophobicContact CD2-CD1 4.13Å; L945-I948 WeakPolarHBondContact O-CG1 3.35Å; L945-I948 PolarHBondContact O-N 3.46Å; L945-E949 PolarHBondContact O-N 3.38Å
946	F	89.2	Confident	76.6	Confident	110 Å²	110	61.2 Å²	61.2	48%	0.482	32%	0.323	S	S	.	.	H	α-helix	trans	-55.6	-44.1	174.8	-174.3	-88.6	0	0	0	112.3	L919 E942 I948 E949 E950	L919-F946 HydrophobicContact CD1-CD1 3.95Å; L919-F946 HydrophobicContact CD1-CE1 3.92Å; L919-F946 HydrophobicContact CD2-CD1 3.73Å; L919-F946 HydrophobicContact CD2-CE1 4.47Å; E942-F946 VanDerWaalsContact O-CB 3.29Å; E942-F946 WeakPolarHBondContact O-CB 3.3Å; E942-F946 PolarHBondContact O-N 2.87Å; F946-I948 PolarHBondContact O-N 2.73Å; F946-E949 PolarHBondContact O-N 3.05Å; F946-E950 HydrophobicContact CD1-CB 4.47Å; F946-E950 HydrophobicContact CD2-CG 4.44Å; F946-E950 HydrophobicContact CE1-CB 4.07Å; F946-E950 HydrophobicContact CE1-CG 4.24Å; F946-E950 HydrophobicContact CE2-CG 3.95Å; F946-E950 HydrophobicContact CZ-CB 4.16Å; F946-E950 HydrophobicContact CZ-CG 3.84Å; F946-E950 PolarHBondContact O-N 2.97Å
947	A	87.9	Confident	73.3	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-74.6	-21.1	-176.2	0	0	0	0	0	115.2	F884 L919 P920 K943 L944 L945 T951	F884-A947 WeakPolarHBondContact CD2-O 3.45Å; F884-A947 WeakPolarHBondContact CE2-O 3.48Å; F884-A947 HydrophobicContact CZ-CB 4.2Å; L919-A947 HydrophobicContact CD2-CB 4.43Å; P920-A947 HydrophobicContact CG-CB 3.67Å; K943-A947 VanDerWaalsContact O-CB 3.28Å; K943-A947 WeakPolarHBondContact O-CB 3.35Å; K943-A947 PolarHBondContact O-N 3.18Å; L944-A947 PolarHBondContact O-N 2.81Å; L945-A947 VanDerWaalsContact C-N 3.3Å; L945-A947 PolarHBondContact O-N 3.06Å; A947-T951 WeakPolarHBondContact O-CG2 3.44Å
948	I	87	Confident	72.1	Confident	6 Å²	6	72.9 Å²	72.9	3%	0.031	37%	0.374	C	S	.	.	H	α-helix	trans	-85.6	-25.8	173.2	62.7	176.2	0	0	0	112.3	V877 L881 F884 L944 L945 F946 T951	V877-I948 HydrophobicContact CG1-CD1 3.68Å; L881-I948 HydrophobicContact CB-CD1 4.43Å; L881-I948 HydrophobicContact CB-CG2 4.24Å; L881-I948 HydrophobicContact CD1-CG2 3.79Å; F884-I948 HydrophobicContact CB-CB 4.48Å; F884-I948 HydrophobicContact CB-CG2 3.9Å; F884-I948 HydrophobicContact CD1-CG2 4.01Å; F884-I948 HydrophobicContact CG-CG2 3.92Å; L944-I948 HydrophobicContact CD1-CG2 4.37Å; L944-I948 PolarHBondContact O-N 3.12Å; L945-I948 HydrophobicContact CD2-CD1 4.13Å; L945-I948 WeakPolarHBondContact O-CG1 3.35Å; L945-I948 PolarHBondContact O-N 3.46Å; F946-I948 PolarHBondContact O-N 2.73Å; I948-T951 WeakPolarHBondContact O-CG2 3.43Å
949	E	78	Confident	70.8	Confident	86 Å²	86	70.4 Å²	70.4	40%	0.402	36%	0.364	S	S	.	.	H	α-helix	trans	-83.8	-57.7	177	-69.7	177	-142.5	0	0	112.1	L945 F946 T951	L945-E949 PolarHBondContact O-N 3.38Å; F946-E949 PolarHBondContact O-N 3.05Å; E949-T951 VanDerWaalsContact C-N 3.27Å; E949-T951 PolarHBondContact O-N 2.7Å
950	E	70.5	Confident	69.3	Low	70 Å²	70	72.1 Å²	72.1	33%	0.327	37%	0.374	S	S	.	.			trans	-79.4	75.6	178.6	-67.9	-51.7	146.8	0	0	111.3	R580 F946 F954	R580-E950 IonicContact CZ-OE1 3.7Å; R580-E950 VanDerWaalsContact CZ-OE1 3.26Å; R580-E950 IonicContact CZ-OE2 3.42Å; R580-E950 IonicContact NH1-OE1 2.75Å; R580-E950 PolarHBondContact NH1-OE1 3.03Å; R580-E950 IonicContact NH1-OE2 2.78Å; R580-E950 IonicContact NH2-OE1 3.94Å; R580-E950 PolarHBondContact NH2-OE1 2.89Å; R580-E950 IonicContact NH2-OE2 2.7Å; R580-E950 PolarHBondContact NH2-OE2 2.96Å; F946-E950 HydrophobicContact CD1-CB 4.47Å; F946-E950 HydrophobicContact CD2-CG 4.44Å; F946-E950 HydrophobicContact CE1-CB 4.07Å; F946-E950 HydrophobicContact CE1-CG 4.24Å; F946-E950 HydrophobicContact CE2-CG 3.95Å; F946-E950 HydrophobicContact CZ-CB 4.16Å; F946-E950 HydrophobicContact CZ-CG 3.84Å; F946-E950 PolarHBondContact O-N 2.97Å; E950-F954 VanDerWaalsContact O-CE2 3.31Å; E950-F954 WeakPolarHBondContact O-CE2 3.09Å; E950-F954 VanDerWaalsContact O-CZ 3.3Å; E950-F954 WeakPolarHBondContact O-CZ 3.1Å
951	T	57.7	Low	67.6	Low	24 Å²	24	76.4 Å²	76.4	15%	0.147	40%	0.396	C	S	.	.			trans	-108.2	4.4	-178.1	52.7	0	0	0	0	114.2	K830 F884 A947 I948 E949 F954	K830-T951 VanDerWaalsContact NZ-CB 3.27Å; K830-T951 VanDerWaalsContact NZ-CG2 3.34Å; K830-T951 PolarHBondContact NZ-OG1 2.91Å; F884-T951 HydrophobicContact CD2-CG2 3.74Å; F884-T951 HydrophobicContact CE2-CG2 4.07Å; A947-T951 WeakPolarHBondContact O-CG2 3.44Å; I948-T951 WeakPolarHBondContact O-CG2 3.43Å; E949-T951 VanDerWaalsContact C-N 3.27Å; E949-T951 PolarHBondContact O-N 2.7Å; T951-F954 HydrophobicContact CG2-CE2 4.36Å
952	E	46.4	Very low	65.9	Low	76 Å²	76	77.5 Å²	77.5	36%	0.355	41%	0.405	S	S	.	.	S	Bend	trans	-90.5	95.4	167	-59.7	-172.1	120.7	0	0	110.2	R556 K724	R556-E952 IonicContact CZ-OE2 3.42Å; R556-E952 IonicContact NH1-OE2 3.49Å; R556-E952 PolarHBondContact NH1-OE2 2.77Å; R556-E952 IonicContact NH2-OE2 3.49Å; R556-E952 PolarHBondContact NH2-OE2 2.76Å; K724-E952 IonicContact NZ-OE1 2.77Å; K724-E952 PolarHBondContact NZ-OE1 3.13Å
953	G	38.6	Very low	64	Low	54 Å²	54	75.2 Å²	75.2	56%	0.557	40%	0.397	S	S	*	.			trans	96.1	62.8	163.9	0	0	0	0	0	117.6	G955	G953-G955 PolarHBondContact O-N 3.21Å
954	F	38	Very low	61.9	Low	93 Å²	93	76.6 Å²	76.6	41%	0.408	41%	0.409	S	S	.	.			trans	-71.4	78.3	161.4	-72.1	-79.2	0	0	0	110.9	F884 L919 E950 T951	F884-F954 HydrophobicContact CE2-CE2 4.43Å; L919-F954 HydrophobicContact CD1-CE1 4.13Å; E950-F954 VanDerWaalsContact O-CE2 3.31Å; E950-F954 WeakPolarHBondContact O-CE2 3.09Å; E950-F954 VanDerWaalsContact O-CZ 3.3Å; E950-F954 WeakPolarHBondContact O-CZ 3.1Å; T951-F954 HydrophobicContact CG2-CE2 4.36Å
955	G	31.3	Very low	59.4	Low	71 Å²	71	82.4 Å²	82.4	73%	0.732	44%	0.439	S	S	*	.			trans	-131.3	18.8	-177.2	0	0	0	0	0	114.5	G953	G953-G955 PolarHBondContact O-N 3.21Å
956	Q	26.7	Very low	56.7	Low	195 Å²	195	85.8 Å²	85.8	91%	0.911	46%	0.458	S	S	*	.			trans	-131.9	109.7	172.1	-71.8	-179.2	-18.5	0	0	108.9
957	E	29.6	Very low	53.8	Low	245 Å²	245	83.6 Å²	83.6	100%	1.145	46%	0.456	S	S	*	.			trans	-100.2	0	156.8	-68.5	-163.2	147	0	0	109.2	R921	R921-E957 IonicContact NH1-OE1 2.85Å

Retrieved 957 of 957 residues in 910.1 ms (Link to these results)

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