A0A087Y254_POEFO Loading...

PMS1 homolog 1, mismatch repair system component

AlphaFold DB , UniProt , Accession A0A087Y254, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 842 aa.

						>A0A087Y254_POEFO|A0A087Y254
MKQLPADTVRLLSSSQVVTSVVSVVKELMENSLDAGASSVDVKLENFGLDRTEVRDNGCGIKVADAPVMAVRHFTSKISSHEDLERLETYGFRGEALGSICAVAEVTVTTKTEEDDVSTQYTLDSSGAIVSQRPSHLGGGTSVSVAKLFGKLPVRRQFFSSVRKRKEEVRKVQDLLMAFAIIKPELRLTLAHNKVVVWQKARAADHRRALVATLGASTVTNLLPVHQEQPEMVLDGFLPKPGADLSLTSSSTSDKTFIFINKRPVQQKDILKLLRQHHSAQYPDDAARHRFPVLLLNITVCPSSLDVNVTPDKTQVLLHNKEAVLAAIEALLVSLYGFRPEKPPDPETLPPAAGCVETDENMESRKVSDEDAGQSAALQRQASSCSSSSSMADDWIVNQSGFSLCDDEATRNRPQSTEPGPQEPRWPQVSAEAWSRGTALTDPVSGEPLRPVVIHRPDPEVKRSGNAITEKRAALTAYDMISSRALRVPPSAASLFEKETRSEVLMERPAASLQEVSAAVQNRWENLGDEGRKRFEEKARKSQDLHDQRTRLAAAGATADRPLRAAKLQAQKRKAPLSNQQLLDELFSAQPQKKQKAPPPKPWRPLPCSMAALRLRLQRLSAQSGAAGPRGLCPVGRLASQNAWLILCGGRRLMLLNPFRAEEALLFQRLQQDHILPAVRLQNPLLLTDRNLGAAEFETLCSLEKGEAEPDGSVFFSDPRLVANGFRIKLSPVLTSAERHLEATAVADCVPFLGLEDLKEVLTAVLQRKAATVPQSRPLKVTNYLKAEAVRLARQLPSDLCGEEVKELLERTERRLGGTDRTCIHGRLFLQHLADVPSTQQE
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	71.9	Confident	88.4	Confident	243 Å²	243	113.1 Å²	113.1	100%	1.197	59%	0.592	S	S	*	*				0	174.8	0	-55.4	178.6	-159.7	0	0	108.9
2	K	88	Confident	88.3	Confident	207 Å²	207	111.2 Å²	111.2	90%	0.9	58%	0.582	S	S	*	*			trans	-138.7	145.4	174.1	-67.4	-172.2	179.3	-176.4	0	110.2
3	Q	92.5	Very high	88.2	Confident	193 Å²	193	105 Å²	105	90%	0.902	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-69.2	142.1	174.4	-170.3	177.2	8.8	0	0	110.4
4	L	93.9	Very high	88.2	Confident	95 Å²	95	97.5 Å²	97.5	50%	0.497	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-81.7	144.5	174.4	-67.6	177.1	0	0	0	110.9	T8 V9 L12	L4-T8 HydrophobicContact CD2-CG2 4.49Å; L4-V9 HydrophobicContact CB-CG2 3.69Å; L4-L12 HydrophobicContact CD1-CD1 4.06Å
5	P	93.7	Very high	88	Confident	84 Å²	84	92 Å²	92	55%	0.545	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-57.1	145.6	171.9	-23.9	33.8	0	0	0	112.2	D7 T8 V9	P5-D7 VanDerWaalsContact C-N 3.26Å; P5-D7 PolarHBondContact O-N 2.56Å; P5-T8 WeakPolarHBondContact O-CA 3.34Å; P5-T8 WeakPolarHBondContact O-CB 3.16Å; P5-T8 PolarHBondContact O-N 2.98Å; P5-V9 PolarHBondContact O-N 3.44Å
6	A	89.4	Confident	87.8	Confident	79 Å²	79	95 Å²	95	65%	0.653	50%	0.497	S	S	*	.	H	α-helix	trans	-56.3	-38.4	-177.5	0	0	0	0	0	113	T8 V9 R10	A6-T8 VanDerWaalsContact C-N 3.33Å; A6-T8 PolarHBondContact O-N 2.67Å; A6-V9 PolarHBondContact O-N 3.33Å; A6-R10 VanDerWaalsContact O-CB 3.25Å; A6-R10 WeakPolarHBondContact O-CB 3.45Å; A6-R10 PolarHBondContact O-N 2.99Å
7	D	88	Confident	87.5	Confident	97 Å²	97	91 Å²	91	52%	0.519	48%	0.478	S	S	.	.	H	α-helix	trans	-61.7	-38.3	173.2	-78.3	-44	0	0	0	113.3	P5 R10 L11	P5-D7 VanDerWaalsContact C-N 3.26Å; P5-D7 PolarHBondContact O-N 2.56Å; D7-R10 IonicContact OD1-CZ 2.91Å; D7-R10 IonicContact OD1-NE 2.69Å; D7-R10 IonicContact OD1-NH2 3.74Å; D7-R10 PolarHBondContact OD1-NH2 3Å; D7-L11 VanDerWaalsContact O-CB 3.24Å; D7-L11 WeakPolarHBondContact O-CB 3.3Å; D7-L11 PolarHBondContact O-N 3.35Å
8	T	88.2	Confident	87.7	Confident	55 Å²	55	86.2 Å²	86.2	34%	0.337	45%	0.453	S	S	.	.	H	α-helix	trans	-69.1	-44.9	177.2	-51.2	0	0	0	0	110.7	L4 P5 A6 R10 L11 L12	L4-T8 HydrophobicContact CD2-CG2 4.49Å; P5-T8 WeakPolarHBondContact O-CA 3.34Å; P5-T8 WeakPolarHBondContact O-CB 3.16Å; P5-T8 PolarHBondContact O-N 2.98Å; A6-T8 VanDerWaalsContact C-N 3.33Å; A6-T8 PolarHBondContact O-N 2.67Å; T8-R10 PolarHBondContact O-N 3.37Å; T8-L11 PolarHBondContact O-N 2.88Å; T8-L12 HydrophobicContact CG2-CD1 3.9Å; T8-L12 HydrophobicContact CG2-CG 4.4Å; T8-L12 WeakPolarHBondContact O-CB 3.24Å; T8-L12 WeakPolarHBondContact O-CG 3.43Å; T8-L12 PolarHBondContact O-N 3.33Å
9	V	89.9	Confident	87.9	Confident	74 Å²	74	85.2 Å²	85.2	45%	0.448	45%	0.451	S	S	.	.	H	α-helix	trans	-60.4	-45.6	175.1	178.4	0	0	0	0	110.9	L4 P5 A6 S13	L4-V9 HydrophobicContact CB-CG2 3.69Å; P5-V9 PolarHBondContact O-N 3.44Å; A6-V9 PolarHBondContact O-N 3.33Å; V9-S13 WeakPolarHBondContact O-CB 3.36Å; V9-S13 PolarHBondContact O-N 2.83Å; V9-S13 PolarHBondContact O-OG 3.2Å
10	R	89	Confident	88.1	Confident	70 Å²	70	82 Å²	82	26%	0.264	44%	0.435	S	S	.	.	H	α-helix	trans	-59.9	-52.3	175.6	173.8	160.2	55.8	-150.9	3.2	111.4	A6 D7 T8 L12 S13 S14 R72 A102 S125 S126	A6-R10 VanDerWaalsContact O-CB 3.25Å; A6-R10 WeakPolarHBondContact O-CB 3.45Å; A6-R10 PolarHBondContact O-N 2.99Å; D7-R10 IonicContact OD1-CZ 2.91Å; D7-R10 IonicContact OD1-NE 2.69Å; D7-R10 IonicContact OD1-NH2 3.74Å; D7-R10 PolarHBondContact OD1-NH2 3Å; T8-R10 PolarHBondContact O-N 3.37Å; R10-L12 PolarHBondContact O-N 2.87Å; R10-S13 PolarHBondContact O-OG 2.96Å; R10-S14 VanDerWaalsContact O-CB 3.24Å; R10-S14 WeakPolarHBondContact O-CB 3.43Å; R10-S14 PolarHBondContact O-N 2.7Å; R10-S14 PolarHBondContact O-OG 2.71Å; R10-R72 PolarHBondContact O-NH2 3.43Å; R10-A102 HydrophobicContact CG-CB 4Å; R10-S125 WeakPolarHBondContact CD-O 3.08Å; R10-S125 PolarHBondContact NE-O 3.49Å; R10-S126 VanDerWaalsContact NH1-CB 3.29Å
11	L	88.1	Confident	88.5	Confident	47 Å²	47	78.1 Å²	78.1	25%	0.246	42%	0.415	C	S	.	.	H	α-helix	trans	-61.4	-43.3	-179.6	-177.7	61.4	0	0	0	112.4	D7 T8 S15 V103 L152	D7-L11 VanDerWaalsContact O-CB 3.24Å; D7-L11 WeakPolarHBondContact O-CB 3.3Å; D7-L11 PolarHBondContact O-N 3.35Å; T8-L11 PolarHBondContact O-N 2.88Å; L11-S15 VanDerWaalsContact O-CB 3.29Å; L11-S15 WeakPolarHBondContact O-CB 3.48Å; L11-S15 PolarHBondContact O-N 2.91Å; L11-V103 HydrophobicContact CD1-CG1 4.07Å; L11-L152 HydrophobicContact CD1-CD1 4.25Å; L11-L152 HydrophobicContact CD1-CD2 4.09Å; L11-L152 HydrophobicContact CD1-CG 4.14Å; L11-L152 HydrophobicContact CD2-CD2 4.02Å; L11-L152 HydrophobicContact CG-CD2 4.08Å
12	L	87.4	Confident	89.6	Confident	90 Å²	90	67.7 Å²	67.7	47%	0.471	37%	0.365	S	S	.	.	H	α-helix	trans	-62.6	-53.5	178.9	-73.4	170	0	0	0	111.5	L4 T8 R10 S15 Q16	L4-L12 HydrophobicContact CD1-CD1 4.06Å; T8-L12 HydrophobicContact CG2-CD1 3.9Å; T8-L12 HydrophobicContact CG2-CG 4.4Å; T8-L12 WeakPolarHBondContact O-CB 3.24Å; T8-L12 WeakPolarHBondContact O-CG 3.43Å; T8-L12 PolarHBondContact O-N 3.33Å; R10-L12 PolarHBondContact O-N 2.87Å; L12-S15 WeakPolarHBondContact O-CB 3.25Å; L12-S15 PolarHBondContact O-N 2.9Å; L12-S15 VanDerWaalsContact O-N 3.09Å; L12-S15 PolarHBondContact O-OG 3.38Å; L12-Q16 PolarHBondContact O-N 2.71Å
13	S	86.2	Confident	89.8	Confident	31 Å²	31	58.5 Å²	58.5	22%	0.217	33%	0.326	C	S	.	.	H	α-helix	trans	-63.7	-42.7	179.5	49	0	0	0	0	112.4	V9 R10 S15 Q16 V17 R72	V9-S13 WeakPolarHBondContact O-CB 3.36Å; V9-S13 PolarHBondContact O-N 2.83Å; V9-S13 PolarHBondContact O-OG 3.2Å; R10-S13 PolarHBondContact O-OG 2.96Å; S13-S15 PolarHBondContact O-N 3.35Å; S13-Q16 WeakPolarHBondContact O-CB 3.33Å; S13-Q16 PolarHBondContact O-N 2.78Å; S13-V17 PolarHBondContact O-N 2.73Å; S13-R72 PolarHBondContact OG-NH1 3.43Å; S13-R72 PolarHBondContact OG-NH2 3.16Å
14	S	88.5	Confident	90	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.2	-33.7	172.9	-67.6	0	0	0	0	112.3	R10 Q16 V17 V18 R72 S99 A102	R10-S14 VanDerWaalsContact O-CB 3.24Å; R10-S14 WeakPolarHBondContact O-CB 3.43Å; R10-S14 PolarHBondContact O-N 2.7Å; R10-S14 PolarHBondContact O-OG 2.71Å; S14-Q16 VanDerWaalsContact C-N 3.28Å; S14-Q16 PolarHBondContact O-N 2.9Å; S14-V17 PolarHBondContact O-N 2.8Å; S14-V18 PolarHBondContact O-N 2.93Å; S14-R72 PolarHBondContact OG-NH2 3.1Å; S14-S99 WeakPolarHBondContact CB-O 3.49Å; S14-S99 WeakPolarHBondContact OG-CA 3.32Å; S14-A102 WeakPolarHBondContact OG-CB 3.4Å
15	S	85.8	Confident	90.1	Very high	15 Å²	15	44.8 Å²	44.8	11%	0.105	26%	0.26	C	S	.	.	H	α-helix	trans	-76.6	-9.4	177.1	84.9	0	0	0	0	114.1	L11 L12 S13 R155	L11-S15 VanDerWaalsContact O-CB 3.29Å; L11-S15 WeakPolarHBondContact O-CB 3.48Å; L11-S15 PolarHBondContact O-N 2.91Å; L12-S15 WeakPolarHBondContact O-CB 3.25Å; L12-S15 PolarHBondContact O-N 2.9Å; L12-S15 VanDerWaalsContact O-N 3.09Å; L12-S15 PolarHBondContact O-OG 3.38Å; S13-S15 PolarHBondContact O-N 3.35Å; S15-R155 VanDerWaalsContact O-CZ 3.26Å; S15-R155 PolarHBondContact O-NH1 3.19Å; S15-R155 PolarHBondContact O-NH2 2.85Å
16	Q	83.9	Confident	90.2	Very high	140 Å²	140	41.5 Å²	41.5	65%	0.654	24%	0.237	S	C	*	.	H	α-helix	trans	-85.7	-34.9	170.3	-68.5	170.7	-22.3	0	0	111.1	L12 S13 S14 T19	L12-Q16 PolarHBondContact O-N 2.71Å; S13-Q16 WeakPolarHBondContact O-CB 3.33Å; S13-Q16 PolarHBondContact O-N 2.78Å; S14-Q16 VanDerWaalsContact C-N 3.28Å; S14-Q16 PolarHBondContact O-N 2.9Å; Q16-T19 WeakPolarHBondContact O-CG2 3.29Å
17	V	83.6	Confident	90.4	Very high	27 Å²	27	38.8 Å²	38.8	16%	0.164	21%	0.211	C	C	.	.	H	α-helix	trans	-75.8	-54.8	173.6	-177	0	0	0	0	111.2	S13 S14 T19	S13-V17 PolarHBondContact O-N 2.73Å; S14-V17 PolarHBondContact O-N 2.8Å; V17-T19 PolarHBondContact O-N 2.74Å
18	V	90.9	Very high	90.8	Very high	5 Å²	5	34.6 Å²	34.6	3%	0.03	19%	0.188	C	C	.	.			trans	-90	87.4	-176.4	-171.9	0	0	0	0	110.3	S14 V24 I100 V103 L148 F149 R155	S14-V18 PolarHBondContact O-N 2.93Å; V18-V24 HydrophobicContact CG1-CG2 3.53Å; V18-I100 HydrophobicContact CG2-CG1 4Å; V18-V103 HydrophobicContact CB-CG2 4.02Å; V18-V103 HydrophobicContact CG1-CG2 3.83Å; V18-V103 HydrophobicContact CG2-CG2 4.4Å; V18-L148 HydrophobicContact CG1-CD1 4.27Å; V18-F149 HydrophobicContact CG1-CE1 4.19Å; V18-F149 HydrophobicContact CG1-CZ 4.45Å; V18-F149 WeakPolarHBondContact O-CE1 3.18Å; V18-R155 PolarHBondContact O-NH1 3.17Å
19	T	90.3	Very high	91.2	Very high	67 Å²	67	32 Å²	32	41%	0.411	17%	0.173	S	C	.	.			trans	-90.3	-30	-175.5	59.6	0	0	0	0	113.9	Q16 V17 S23	Q16-T19 WeakPolarHBondContact O-CG2 3.29Å; V17-T19 PolarHBondContact O-N 2.74Å; T19-S23 PolarHBondContact N-OG 3.43Å; T19-S23 VanDerWaalsContact N-OG 3.15Å
20	S	93.3	Very high	91.4	Very high	20 Å²	20	28.8 Å²	28.8	14%	0.14	15%	0.152	C	C	.	.	S	Bend	trans	-152.2	165.8	-159.4	53.2	0	0	0	0	112.2	V22 S23 V24 E168	S20-V22 PolarHBondContact O-N 3.42Å; S20-S23 PolarHBondContact N-OG 2.87Å; S20-S23 PolarHBondContact O-N 3.18Å; S20-S23 PolarHBondContact O-OG 3.45Å; S20-S23 WeakPolarHBondContact OG-CB 3.47Å; S20-S23 PolarHBondContact OG-N 3.3Å; S20-S23 PolarHBondContact OG-OG 2.81Å; S20-S23 VanDerWaalsContact OG-OG 3.13Å; S20-V24 PolarHBondContact O-N 3.48Å; S20-E168 VanDerWaalsContact CB-OE2 3.28Å; S20-E168 WeakPolarHBondContact CB-OE2 3.33Å
21	V	95.3	Very high	91.7	Very high	1 Å²	1	28 Å²	28	1%	0.006	15%	0.154	C	C	.	.	H	α-helix	trans	-63.6	-37.1	170.2	174.6	0	0	0	0	109.5	S23 V24 V25 L44 L49 L148 E168 V172	V21-S23 PolarHBondContact O-N 3.04Å; V21-V24 PolarHBondContact O-N 2.98Å; V21-V25 PolarHBondContact O-N 2.97Å; V21-V25 VanDerWaalsContact O-N 3.07Å; V21-L44 HydrophobicContact CG1-CD2 4.27Å; V21-L49 HydrophobicContact CG2-CD2 3.93Å; V21-L148 HydrophobicContact CG2-CD2 3.99Å; V21-E168 HydrophobicContact CB-CB 4.36Å; V21-E168 PolarHBondContact N-OE2 3.02Å; V21-E168 VanDerWaalsContact N-OE2 3.1Å; V21-V172 HydrophobicContact CG1-CG2 4.29Å
22	V	94.9	Very high	92.1	Very high	24 Å²	24	26 Å²	26	15%	0.145	14%	0.143	C	C	.	.	H	α-helix	trans	-58.9	-44.5	176.9	-165.5	0	0	0	0	111.7	S20 V24 V25 K26 K171 V172 L175	S20-V22 PolarHBondContact O-N 3.42Å; V22-V24 VanDerWaalsContact C-N 3.31Å; V22-V24 PolarHBondContact O-N 3.27Å; V22-V25 PolarHBondContact O-N 2.87Å; V22-K26 WeakPolarHBondContact O-CB 3.37Å; V22-K26 PolarHBondContact O-N 3.16Å; V22-K171 HydrophobicContact CG1-CB 4.22Å; V22-K171 HydrophobicContact CG2-CB 3.45Å; V22-K171 VanDerWaalsContact CG2-CB 3.45Å; V22-K171 HydrophobicContact CG2-CD 3.74Å; V22-K171 HydrophobicContact CG2-CG 4.31Å; V22-V172 HydrophobicContact CB-CG2 4.47Å; V22-V172 HydrophobicContact CG2-CG2 4.13Å; V22-L175 HydrophobicContact CG1-CD2 4.06Å
23	S	93.4	Very high	92.4	Very high	14 Å²	14	22.8 Å²	22.8	10%	0.098	13%	0.127	C	C	.	.	H	α-helix	trans	-62.1	-35.7	177.5	56.1	0	0	0	0	113.2	T19 S20 V21 E27	T19-S23 PolarHBondContact N-OG 3.43Å; T19-S23 VanDerWaalsContact N-OG 3.15Å; S20-S23 PolarHBondContact N-OG 2.87Å; S20-S23 PolarHBondContact O-N 3.18Å; S20-S23 PolarHBondContact O-OG 3.45Å; S20-S23 WeakPolarHBondContact OG-CB 3.47Å; S20-S23 PolarHBondContact OG-N 3.3Å; S20-S23 PolarHBondContact OG-OG 2.81Å; S20-S23 VanDerWaalsContact OG-OG 3.13Å; V21-S23 PolarHBondContact O-N 3.04Å; S23-E27 PolarHBondContact O-N 3.46Å; S23-E27 VanDerWaalsContact O-N 3.15Å
24	V	95.8	Very high	92.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-67	-47.4	175.4	178.7	0	0	0	0	110.3	V18 S20 V21 V22 K26 L28 T52 I100 V145 L148	V18-V24 HydrophobicContact CG1-CG2 3.53Å; S20-V24 PolarHBondContact O-N 3.48Å; V21-V24 PolarHBondContact O-N 2.98Å; V22-V24 VanDerWaalsContact C-N 3.31Å; V22-V24 PolarHBondContact O-N 3.27Å; V24-K26 VanDerWaalsContact C-N 3.34Å; V24-K26 PolarHBondContact O-N 3.02Å; V24-L28 HydrophobicContact CG1-CD1 3.9Å; V24-L28 WeakPolarHBondContact O-CB 3.32Å; V24-L28 VanDerWaalsContact O-CG 3.26Å; V24-L28 WeakPolarHBondContact O-CG 3.32Å; V24-L28 PolarHBondContact O-N 2.78Å; V24-L28 VanDerWaalsContact O-N 3.14Å; V24-T52 HydrophobicContact CG1-CG2 4.25Å; V24-I100 HydrophobicContact CG1-CD1 4.16Å; V24-I100 HydrophobicContact CG1-CG2 4.5Å; V24-I100 HydrophobicContact CG2-CG1 4.49Å; V24-V145 HydrophobicContact CG1-CB 4.4Å; V24-V145 HydrophobicContact CG1-CG1 4.34Å; V24-V145 HydrophobicContact CG1-CG2 4.03Å; V24-L148 HydrophobicContact CG2-CD1 3.97Å; V24-L148 HydrophobicContact CG2-CD2 3.95Å
25	V	97.2	Very high	93.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.7	-37	178.9	177.7	0	0	0	0	111.6	V21 V22 M29 V42 L44 T52 V172 L176	V21-V25 PolarHBondContact O-N 2.97Å; V21-V25 VanDerWaalsContact O-N 3.07Å; V22-V25 PolarHBondContact O-N 2.87Å; V25-M29 HydrophobicContact CG1-CG 3.9Å; V25-M29 VanDerWaalsContact O-CB 3.23Å; V25-M29 WeakPolarHBondContact O-CB 3.32Å; V25-M29 WeakPolarHBondContact O-CG 3.45Å; V25-M29 PolarHBondContact O-N 3.26Å; V25-V42 HydrophobicContact CG1-CG1 3.96Å; V25-V42 HydrophobicContact CG1-CG2 4.26Å; V25-V42 HydrophobicContact CG2-CG1 4.19Å; V25-L44 HydrophobicContact CG2-CD2 4.21Å; V25-T52 HydrophobicContact CG2-CG2 3.76Å; V25-V172 HydrophobicContact CB-CG1 4.47Å; V25-V172 HydrophobicContact CB-CG2 4.37Å; V25-V172 HydrophobicContact CG1-CG1 4.04Å; V25-V172 HydrophobicContact CG2-CG1 4.33Å; V25-V172 HydrophobicContact CG2-CG2 4.16Å; V25-L176 HydrophobicContact CG1-CD1 4.06Å
26	K	94.4	Very high	93.6	Very high	15 Å²	15	26.5 Å²	26.5	7%	0.065	16%	0.16	C	C	.	.	H	α-helix	trans	-60.5	-57.4	177.2	-174.6	176.1	-178.7	-67.5	0	111.9	V22 V24 L28 M29 E30 L175 D312	V22-K26 WeakPolarHBondContact O-CB 3.37Å; V22-K26 PolarHBondContact O-N 3.16Å; V24-K26 VanDerWaalsContact C-N 3.34Å; V24-K26 PolarHBondContact O-N 3.02Å; K26-L28 VanDerWaalsContact C-N 3.29Å; K26-L28 PolarHBondContact O-N 3.2Å; K26-M29 PolarHBondContact O-N 3.27Å; K26-E30 WeakPolarHBondContact CE-OE1 3.38Å; K26-E30 WeakPolarHBondContact CG-OE1 3.36Å; K26-E30 IonicContact NZ-OE1 3.73Å; K26-E30 PolarHBondContact NZ-OE1 3.3Å; K26-E30 IonicContact NZ-OE2 3.27Å; K26-E30 PolarHBondContact NZ-OE2 3.1Å; K26-E30 WeakPolarHBondContact O-CB 2.84Å; K26-E30 WeakPolarHBondContact O-CG 3.32Å; K26-E30 PolarHBondContact O-N 2.88Å; K26-L175 HydrophobicContact CB-CD2 3.74Å; K26-L175 HydrophobicContact CG-CD1 4.4Å; K26-L175 HydrophobicContact CG-CD2 4.3Å; K26-D312 WeakPolarHBondContact CE-O 3.5Å; K26-D312 PolarHBondContact NZ-O 2.94Å
27	E	94	Very high	94.2	Very high	22 Å²	22	20.2 Å²	20.2	10%	0.103	13%	0.132	C	C	.	.	H	α-helix	trans	-64.9	-33.2	-178.3	-66.3	-59.3	126.7	0	0	112.2	S23 N31 A96 K313	S23-E27 PolarHBondContact O-N 3.46Å; S23-E27 VanDerWaalsContact O-N 3.15Å; E27-N31 WeakPolarHBondContact O-CB 3.24Å; E27-N31 PolarHBondContact O-N 3.41Å; E27-N31 PolarHBondContact O-ND2 3.3Å; E27-A96 HydrophobicContact CB-CB 3.93Å; E27-A96 HydrophobicContact CG-CB 4.15Å; E27-K313 WeakPolarHBondContact OE1-CE 3.33Å; E27-K313 IonicContact OE1-NZ 3.82Å; E27-K313 PolarHBondContact OE1-NZ 3.3Å; E27-K313 WeakPolarHBondContact OE2-CE 3.48Å; E27-K313 IonicContact OE2-NZ 2.88Å; E27-K313 PolarHBondContact OE2-NZ 3.28Å
28	L	96.6	Very high	94.8	Very high	9 Å²	9	20.9 Å²	20.9	5%	0.047	14%	0.138	C	C	.	.	H	α-helix	trans	-71.3	-43.5	175.2	-66.8	178.6	0	0	0	112.4	V24 K26 E30 N31 S32 V54 I100 V143 V145	V24-L28 HydrophobicContact CG1-CD1 3.9Å; V24-L28 WeakPolarHBondContact O-CB 3.32Å; V24-L28 VanDerWaalsContact O-CG 3.26Å; V24-L28 WeakPolarHBondContact O-CG 3.32Å; V24-L28 PolarHBondContact O-N 2.78Å; V24-L28 VanDerWaalsContact O-N 3.14Å; K26-L28 VanDerWaalsContact C-N 3.29Å; K26-L28 PolarHBondContact O-N 3.2Å; L28-E30 VanDerWaalsContact C-N 3.34Å; L28-E30 PolarHBondContact O-N 3.17Å; L28-N31 PolarHBondContact O-N 2.9Å; L28-S32 PolarHBondContact O-N 3.42Å; L28-S32 PolarHBondContact O-OG 2.95Å; L28-V54 HydrophobicContact CB-CB 3.94Å; L28-V54 HydrophobicContact CB-CG1 4.13Å; L28-V54 HydrophobicContact CB-CG2 3.79Å; L28-V54 HydrophobicContact CD1-CB 4.18Å; L28-V54 HydrophobicContact CD1-CG2 3.84Å; L28-V54 HydrophobicContact CG-CG2 4.5Å; L28-I100 HydrophobicContact CD2-CD1 4.15Å; L28-I100 HydrophobicContact CG-CD1 4.22Å; L28-V143 HydrophobicContact CD1-CB 4.23Å; L28-V143 HydrophobicContact CD1-CG1 4.13Å; L28-V143 HydrophobicContact CD2-CB 3.96Å; L28-V143 HydrophobicContact CD2-CG1 3.84Å; L28-V143 HydrophobicContact CD2-CG2 4.07Å; L28-V145 HydrophobicContact CD1-CG2 3.97Å
29	M	95.8	Very high	95.2	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.01	14%	0.143	C	C	.	.	H	α-helix	trans	-58.9	-43.9	172.8	-76.1	-98.7	-63.2	0	0	111.9	V25 K26 S32 L33 V40 V42 L176 F179 L188	V25-M29 HydrophobicContact CG1-CG 3.9Å; V25-M29 VanDerWaalsContact O-CB 3.23Å; V25-M29 WeakPolarHBondContact O-CB 3.32Å; V25-M29 WeakPolarHBondContact O-CG 3.45Å; V25-M29 PolarHBondContact O-N 3.26Å; K26-M29 PolarHBondContact O-N 3.27Å; M29-S32 PolarHBondContact O-N 3Å; M29-L33 WeakPolarHBondContact O-CG 3.4Å; M29-L33 PolarHBondContact O-N 2.8Å; M29-V40 HydrophobicContact SD-CB 4.49Å; M29-V40 HydrophobicContact SD-CG1 4.02Å; M29-V42 HydrophobicContact CG-CG2 4.43Å; M29-V42 HydrophobicContact SD-CG2 3.95Å; M29-L176 HydrophobicContact CE-CD1 4.32Å; M29-L176 HydrophobicContact CE-CG 3.8Å; M29-L176 HydrophobicContact SD-CD1 4.37Å; M29-L176 HydrophobicContact SD-CD2 4.49Å; M29-L176 HydrophobicContact SD-CG 4.09Å; M29-F179 HydrophobicContact CE-CB 3.88Å; M29-F179 HydrophobicContact CE-CD2 3.55Å; M29-F179 HydrophobicContact CE-CE2 4.36Å; M29-F179 HydrophobicContact CE-CG 3.96Å; M29-L188 HydrophobicContact CE-CD1 3.97Å; M29-L188 HydrophobicContact CE-CD2 4.15Å; M29-L188 HydrophobicContact SD-CD2 4.08Å
30	E	94.4	Very high	95.6	Very high	5 Å²	5	18.4 Å²	18.4	2%	0.023	12%	0.124	C	C	.	.	H	α-helix	trans	-63.9	-39.8	178.1	-78.1	178.5	-170.3	0	0	112	K26 L28 L33 D34 Y90 F179 K313	K26-E30 WeakPolarHBondContact CE-OE1 3.38Å; K26-E30 WeakPolarHBondContact CG-OE1 3.36Å; K26-E30 IonicContact NZ-OE1 3.73Å; K26-E30 PolarHBondContact NZ-OE1 3.3Å; K26-E30 IonicContact NZ-OE2 3.27Å; K26-E30 PolarHBondContact NZ-OE2 3.1Å; K26-E30 WeakPolarHBondContact O-CB 2.84Å; K26-E30 WeakPolarHBondContact O-CG 3.32Å; K26-E30 PolarHBondContact O-N 2.88Å; L28-E30 VanDerWaalsContact C-N 3.34Å; L28-E30 PolarHBondContact O-N 3.17Å; E30-L33 PolarHBondContact O-N 3.13Å; E30-D34 VanDerWaalsContact O-CG 3.31Å; E30-D34 PolarHBondContact O-N 2.95Å; E30-Y90 HydrophobicContact CB-CG 4.32Å; E30-Y90 HydrophobicContact CG-CD1 4.09Å; E30-Y90 HydrophobicContact CG-CG 4.02Å; E30-F179 HydrophobicContact CG-CZ 3.89Å; E30-K313 IonicContact OE2-NZ 3.06Å; E30-K313 PolarHBondContact OE2-NZ 3.2Å
31	N	94.9	Very high	95.8	Very high	55 Å²	55	19.2 Å²	19.2	29%	0.294	13%	0.126	S	C	.	.	H	α-helix	trans	-66.4	-37.6	172.7	-75.3	-56.3	0	0	0	112.7	E27 L28 D34 A35 K77	E27-N31 WeakPolarHBondContact O-CB 3.24Å; E27-N31 PolarHBondContact O-N 3.41Å; E27-N31 PolarHBondContact O-ND2 3.3Å; L28-N31 PolarHBondContact O-N 2.9Å; N31-D34 PolarHBondContact O-N 3.37Å; N31-A35 WeakPolarHBondContact O-CB 3.45Å; N31-A35 PolarHBondContact O-N 3.38Å; N31-K77 PolarHBondContact OD1-NZ 3.36Å
32	S	96.6	Very high	96	Very high	4 Å²	4	19.1 Å²	19.1	3%	0.028	13%	0.126	C	C	.	.	H	α-helix	trans	-64.7	-37.5	172.9	-61.6	0	0	0	0	112.3	L28 M29 A35 G36 A37 D56	L28-S32 PolarHBondContact O-N 3.42Å; L28-S32 PolarHBondContact O-OG 2.95Å; M29-S32 PolarHBondContact O-N 3Å; S32-A35 CarbonylContact O-C 3.57Å; S32-A35 PolarHBondContact O-N 2.83Å; S32-G36 PolarHBondContact O-N 2.83Å; S32-A37 WeakPolarHBondContact O-CB 3.3Å; S32-A37 PolarHBondContact O-N 3.42Å; S32-D56 WeakPolarHBondContact CB-OD2 3.23Å; S32-D56 WeakPolarHBondContact OG-CB 3.41Å; S32-D56 PolarHBondContact OG-OD2 2.94Å
33	L	95.3	Very high	96.1	Very high	23 Å²	23	22 Å²	22	12%	0.12	14%	0.136	C	C	.	.	H	α-helix	trans	-67.9	-43.2	175.7	-72.5	170.7	0	0	0	112.2	M29 E30 A35 G36 Y90 F179 L186	M29-L33 WeakPolarHBondContact O-CG 3.4Å; M29-L33 PolarHBondContact O-N 2.8Å; E30-L33 PolarHBondContact O-N 3.13Å; L33-A35 PolarHBondContact O-N 2.86Å; L33-G36 PolarHBondContact O-N 3.31Å; L33-Y90 HydrophobicContact CB-CD2 3.91Å; L33-Y90 HydrophobicContact CB-CE2 3.92Å; L33-Y90 HydrophobicContact CD1-CD2 4.36Å; L33-Y90 HydrophobicContact CD1-CE2 3.99Å; L33-F179 HydrophobicContact CD1-CD1 3.47Å; L33-F179 VanDerWaalsContact CD1-CD1 3.47Å; L33-F179 HydrophobicContact CD1-CE1 3.47Å; L33-F179 VanDerWaalsContact CD1-CE1 3.47Å; L33-F179 HydrophobicContact CD1-CG 4.22Å; L33-F179 HydrophobicContact CD1-CZ 4.2Å; L33-L186 HydrophobicContact CD2-CD1 4.22Å; L33-L186 HydrophobicContact CD2-CD2 3.75Å
34	D	94.6	Very high	96.4	Very high	41 Å²	41	21.3 Å²	21.3	22%	0.219	13%	0.132	C	C	.	.	H	α-helix	trans	-64.8	-27.1	174	-69.7	-25.4	0	0	0	112.2	E30 N31 G36 K77 T89 Y90 G91	E30-D34 VanDerWaalsContact O-CG 3.31Å; E30-D34 PolarHBondContact O-N 2.95Å; N31-D34 PolarHBondContact O-N 3.37Å; D34-G36 PolarHBondContact O-N 3.09Å; D34-K77 HydrophobicContact CB-CD 4.41Å; D34-K77 VanDerWaalsContact CB-NZ 3.35Å; D34-K77 WeakPolarHBondContact OD2-CE 3.47Å; D34-K77 IonicContact OD2-NZ 2.77Å; D34-K77 PolarHBondContact OD2-NZ 2.92Å; D34-T89 WeakPolarHBondContact OD1-CA 3.47Å; D34-T89 WeakPolarHBondContact OD1-CB 3.36Å; D34-Y90 WeakPolarHBondContact OD1-CD2 3.47Å; D34-Y90 PolarHBondContact OD1-N 3.46Å; D34-Y90 PolarHBondContact OD2-N 2.77Å; D34-G91 PolarHBondContact OD2-N 2.88Å
35	A	94.9	Very high	96.4	Very high	21 Å²	21	24.4 Å²	24.4	17%	0.174	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	10.4	171.9	0	0	0	0	0	113.9	N31 S32 L33 A37 G58 C59	N31-A35 WeakPolarHBondContact O-CB 3.45Å; N31-A35 PolarHBondContact O-N 3.38Å; S32-A35 CarbonylContact O-C 3.57Å; S32-A35 PolarHBondContact O-N 2.83Å; L33-A35 PolarHBondContact O-N 2.86Å; A35-A37 VanDerWaalsContact C-N 3.34Å; A35-A37 PolarHBondContact O-N 2.83Å; A35-G58 CarbonylContact O-C 3.58Å; A35-G58 WeakPolarHBondContact O-CA 3.49Å; A35-C59 PolarHBondContact O-N 2.92Å
36	G	95.1	Very high	96.3	Very high	61 Å²	61	26.7 Å²	26.7	63%	0.629	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.4	17.7	176.5	0	0	0	0	0	115.2	S32 L33 D34 S38	S32-G36 PolarHBondContact O-N 2.83Å; L33-G36 PolarHBondContact O-N 3.31Å; D34-G36 PolarHBondContact O-N 3.09Å; G36-S38 PolarHBondContact O-N 2.82Å
37	A	97.1	Very high	96.3	Very high	9 Å²	9	27.2 Å²	27.2	7%	0.074	16%	0.161	C	C	.	.			trans	-62.6	134.4	-175.1	0	0	0	0	0	113.2	S32 A35 V40 D56 L186	S32-A37 WeakPolarHBondContact O-CB 3.3Å; S32-A37 PolarHBondContact O-N 3.42Å; A35-A37 VanDerWaalsContact C-N 3.34Å; A35-A37 PolarHBondContact O-N 2.83Å; A37-V40 HydrophobicContact CB-CG2 3.97Å; A37-D56 HydrophobicContact CB-CB 3.7Å; A37-L186 WeakPolarHBondContact O-CD1 3.41Å
38	S	96.8	Very high	96.3	Very high	41 Å²	41	26.1 Å²	26.1	29%	0.287	16%	0.156	S	C	.	.	S	Bend	trans	-108.5	5.8	178.3	56	0	0	0	0	112.9	G36 N57 R187 R202	G36-S38 PolarHBondContact O-N 2.82Å; S38-N57 PolarHBondContact N-OD1 2.93Å; S38-N57 PolarHBondContact OG-ND2 3.15Å; S38-R187 PolarHBondContact O-N 2.88Å; S38-R202 PolarHBondContact O-NE 2.99Å; S38-R202 VanDerWaalsContact O-NE 3.09Å; S38-R202 PolarHBondContact O-NH2 2.93Å; S38-R202 PolarHBondContact OG-NH2 3.21Å
39	S	97.9	Very high	96.2	Very high	18 Å²	18	26.1 Å²	26.1	13%	0.126	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	123.9	174.5	173.5	0	0	0	0	109.8	D56 N57 R187	S39-D56 WeakPolarHBondContact O-CA 3.37Å; S39-N57 PolarHBondContact N-OD1 3.45Å; S39-N57 PolarHBondContact O-N 3.47Å; S39-N57 PolarHBondContact O-OD1 2.8Å; S39-R187 CarbonylContact C-O 3.54Å; S39-R187 WeakPolarHBondContact CA-O 3.43Å; S39-R187 PolarHBondContact OG-NH1 2.75Å
40	V	98.5	Very high	96.2	Very high	1 Å²	1	29 Å²	29	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	128.2	173.5	-174.2	0	0	0	0	111.2	M29 A37 V42 V54 R55 D56 L186 R187 L188 T189	M29-V40 HydrophobicContact SD-CB 4.49Å; M29-V40 HydrophobicContact SD-CG1 4.02Å; A37-V40 HydrophobicContact CB-CG2 3.97Å; V40-V42 HydrophobicContact CG1-CG2 4.31Å; V40-V54 HydrophobicContact CG1-CG1 3.68Å; V40-R55 CarbonylContact C-O 3.43Å; V40-R55 WeakPolarHBondContact CA-O 3.44Å; V40-D56 HydrophobicContact CG2-CB 4.02Å; V40-L186 HydrophobicContact CG2-CD1 4.29Å; V40-R187 PolarHBondContact N-O 2.7Å; V40-L188 HydrophobicContact CB-CD2 3.73Å; V40-L188 HydrophobicContact CG2-CD2 4.45Å; V40-L188 WeakPolarHBondContact O-CA 3.48Å; V40-T189 PolarHBondContact O-N 3.47Å; V40-T189 VanDerWaalsContact O-N 3.14Å
41	D	98.3	Very high	96.3	Very high	37 Å²	37	33 Å²	33	20%	0.198	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	113.6	176.6	-72.9	-63.6	0	0	0	110	R55 R187 T189	D41-R55 PolarHBondContact N-O 2.87Å; D41-R55 PolarHBondContact O-N 3.32Å; D41-R187 VanDerWaalsContact CG-NH1 3.28Å; D41-R187 IonicContact OD1-CZ 2.65Å; D41-R187 VanDerWaalsContact OD1-CZ 3.31Å; D41-R187 IonicContact OD1-NH1 3.06Å; D41-R187 PolarHBondContact OD1-NH1 3.44Å; D41-R187 IonicContact OD1-NH2 3.94Å; D41-R187 PolarHBondContact OD1-NH2 3.03Å; D41-R187 IonicContact OD2-CZ 3.95Å; D41-R187 IonicContact OD2-NH1 3.66Å; D41-R187 PolarHBondContact OD2-NH1 3.39Å; D41-R187 IonicContact OD2-NH2 2.78Å; D41-T189 WeakPolarHBondContact OD1-CB 3.45Å
42	V	98.7	Very high	96.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	127.3	176.6	-178.9	0	0	0	0	109.8	V25 M29 V40 L44 E53 V54 L176 T189 L190 A191	V25-V42 HydrophobicContact CG1-CG1 3.96Å; V25-V42 HydrophobicContact CG1-CG2 4.26Å; V25-V42 HydrophobicContact CG2-CG1 4.19Å; M29-V42 HydrophobicContact CG-CG2 4.43Å; M29-V42 HydrophobicContact SD-CG2 3.95Å; V40-V42 HydrophobicContact CG1-CG2 4.31Å; V42-L44 HydrophobicContact CG1-CD2 4.34Å; V42-E53 CarbonylContact C-O 3.5Å; V42-E53 WeakPolarHBondContact CA-O 3.37Å; V42-V54 HydrophobicContact CG1-CG2 4.38Å; V42-V54 HydrophobicContact CG2-CG1 4.38Å; V42-V54 HydrophobicContact CG2-CG2 4.24Å; V42-L176 HydrophobicContact CB-CD2 4.35Å; V42-L176 HydrophobicContact CG2-CD1 4.31Å; V42-L176 HydrophobicContact CG2-CD2 4.03Å; V42-T189 PolarHBondContact N-O 2.65Å; V42-L190 HydrophobicContact CB-CD1 4.13Å; V42-L190 HydrophobicContact CG1-CD1 3.84Å; V42-L190 CarbonylContact O-C 3.58Å; V42-L190 WeakPolarHBondContact O-CA 3.07Å; V42-A191 PolarHBondContact O-N 2.83Å
43	K	98.4	Very high	96.6	Very high	83 Å²	83	31.3 Å²	31.3	36%	0.361	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	130.8	179.8	-48.5	177.6	-158	150.3	0	110.9	E53 A191	K43-E53 HydrophobicContact CB-CB 4.36Å; K43-E53 WeakPolarHBondContact CD-OE2 3.33Å; K43-E53 WeakPolarHBondContact CE-OE2 3.49Å; K43-E53 PolarHBondContact N-O 3.47Å; K43-E53 IonicContact NZ-OE2 3.39Å; K43-E53 PolarHBondContact NZ-OE2 2.99Å; K43-E53 PolarHBondContact O-N 2.9Å; K43-A191 CarbonylContact C-O 3.57Å; K43-A191 WeakPolarHBondContact CA-O 3.4Å; K43-A191 HydrophobicContact CG-CB 4.36Å
44	L	98.3	Very high	96.7	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	123.2	-178.3	-56.5	-178.7	0	0	0	110.7	V21 V25 V42 T52 V169 V172 L190 A191 H192 N193	V21-L44 HydrophobicContact CG1-CD2 4.27Å; V25-L44 HydrophobicContact CG2-CD2 4.21Å; V42-L44 HydrophobicContact CG1-CD2 4.34Å; L44-T52 HydrophobicContact CD2-CG2 3.8Å; L44-T52 WeakPolarHBondContact CD2-OG1 3.29Å; L44-V169 HydrophobicContact CD1-CG2 4Å; L44-V172 HydrophobicContact CD1-CB 4.5Å; L44-V172 HydrophobicContact CD1-CG1 4.24Å; L44-V172 HydrophobicContact CD1-CG2 4.47Å; L44-L190 HydrophobicContact CD1-CD1 4.11Å; L44-L190 HydrophobicContact CG-CD1 4.26Å; L44-A191 PolarHBondContact N-O 2.76Å; L44-H192 CarbonylContact O-C 3.54Å; L44-H192 WeakPolarHBondContact O-CA 3.49Å; L44-H192 PolarHBondContact O-CD2 3.15Å; L44-N193 PolarHBondContact O-N 2.75Å
45	E	96.9	Very high	96.9	Very high	65 Å²	65	32.5 Å²	32.5	30%	0.304	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	134.5	170.8	-54.4	-171.2	127.2	0	0	109.4	F47 G48 D50 R51	E45-F47 VanDerWaalsContact C-N 3.26Å; E45-F47 PolarHBondContact O-N 3.48Å; E45-G48 PolarHBondContact O-N 3.3Å; E45-D50 PolarHBondContact O-N 2.96Å; E45-R51 HydrophobicContact CB-CB 4.02Å; E45-R51 HydrophobicContact CG-CB 4.24Å; E45-R51 PolarHBondContact N-O 2.9Å; E45-R51 PolarHBondContact O-N 2.93Å; E45-R51 WeakPolarHBondContact OE2-CD 3.49Å; E45-R51 IonicContact OE2-NH1 2.9Å
46	N	93.9	Very high	97	Very high	48 Å²	48	32 Å²	32	26%	0.257	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	45.8	50.1	-168.3	-168	10.1	0	0	0	112.5	G48 L49 D50 R165 N193	N46-G48 PolarHBondContact O-N 2.65Å; N46-L49 PolarHBondContact O-N 2.78Å; N46-D50 HydrophobicContact CB-CB 3.98Å; N46-D50 WeakPolarHBondContact CB-OD2 3.39Å; N46-D50 PolarHBondContact ND2-OD2 2.91Å; N46-R165 PolarHBondContact OD1-NH1 2.78Å; N46-N193 PolarHBondContact N-OD1 2.84Å
47	F	94.8	Very high	97.1	Very high	25 Å²	25	32.1 Å²	32.1	11%	0.11	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	63.7	22.5	178.1	-46.2	-96.5	0	0	0	113.8	E45 R165 K166 V169 H192	E45-F47 VanDerWaalsContact C-N 3.26Å; E45-F47 PolarHBondContact O-N 3.48Å; F47-R165 HydrophobicContact CB-CB 3.93Å; F47-R165 HydrophobicContact CB-CG 4.15Å; F47-R165 HydrophobicContact CD1-CB 4.01Å; F47-R165 WeakPolarHBondContact CD1-O 3.39Å; F47-R165 HydrophobicContact CD2-CB 3.85Å; F47-R165 HydrophobicContact CD2-CG 4.21Å; F47-R165 HydrophobicContact CE2-CB 4.36Å; F47-R165 HydrophobicContact CG-CB 3.67Å; F47-R165 HydrophobicContact CG-CG 4.25Å; F47-K166 HydrophobicContact CD1-CG 4.29Å; F47-K166 HydrophobicContact CE1-CG 3.64Å; F47-K166 HydrophobicContact CZ-CG 4.42Å; F47-V169 HydrophobicContact CB-CG2 3.89Å; F47-V169 HydrophobicContact CD1-CG2 3.76Å; F47-V169 HydrophobicContact CG-CG2 4.31Å; F47-H192 WeakPolarHBondContact CA-NE2 3.35Å; F47-H192 AromaticContact CD1-CE1 3.46Å; F47-H192 VanDerWaalsContact CD1-CE1 3.46Å; F47-H192 WeakPolarHBondContact CD1-CE1 3.41Å; F47-H192 AromaticContact CD1-NE2 3.34Å; F47-H192 VanDerWaalsContact CD1-NE2 3.34Å; F47-H192 WeakPolarHBondContact CD1-NE2 3.44Å; F47-H192 AromaticContact CD2-NE2 3.95Å; F47-H192 AromaticContact CE1-CE1 3.37Å; F47-H192 WeakPolarHBondContact CE1-CE1 3.45Å; F47-H192 AromaticContact CE1-NE2 3.74Å; F47-H192 AromaticContact CG-CE1 3.96Å; F47-H192 AromaticContact CG-NE2 3.44Å; F47-H192 WeakPolarHBondContact CG-NE2 3.32Å; F47-H192 AromaticContact CZ-CE1 3.84Å; F47-H192 PolarHBondContact N-NE2 2.95Å; F47-H192 VanDerWaalsContact N-NE2 3.13Å
48	G	94.3	Very high	97.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	93.8	-5.4	177.5	0	0	0	0	0	114.8	E45 N46 R51 T52	E45-G48 PolarHBondContact O-N 3.3Å; N46-G48 PolarHBondContact O-N 2.65Å; G48-R51 WeakPolarHBondContact CA-O 3.35Å; G48-T52 WeakPolarHBondContact CA-OG1 3.41Å; G48-T52 PolarHBondContact O-OG1 3.49Å
49	L	94.3	Very high	97.1	Very high	9 Å²	9	34.3 Å²	34.3	5%	0.047	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-34.3	-179.5	-64	-178.6	0	0	0	113.6	V21 N46 K147 L148 F149 F159 R165	V21-L49 HydrophobicContact CG2-CD2 3.93Å; N46-L49 PolarHBondContact O-N 2.78Å; L49-K147 CarbonylContact O-C 3.57Å; L49-K147 WeakPolarHBondContact O-CA 3.09Å; L49-L148 PolarHBondContact O-N 2.91Å; L49-F149 HydrophobicContact CD2-CD2 4.35Å; L49-F159 HydrophobicContact CD1-CB 3.74Å; L49-F159 HydrophobicContact CD1-CG 4.44Å; L49-F159 HydrophobicContact CD2-CB 4.47Å; L49-F159 HydrophobicContact CD2-CD2 4.18Å; L49-F159 HydrophobicContact CD2-CG 4.31Å; L49-R165 HydrophobicContact CD1-CG 4.05Å
50	D	95.5	Very high	96.9	Very high	62 Å²	62	34.1 Å²	34.1	33%	0.332	17%	0.173	S	C	.	.	S	Bend	trans	-93.3	-37.1	-179.8	-66.2	-18.4	0	0	0	110.9	E45 N46 A146 K147 R156	E45-D50 PolarHBondContact O-N 2.96Å; N46-D50 HydrophobicContact CB-CB 3.98Å; N46-D50 WeakPolarHBondContact CB-OD2 3.39Å; N46-D50 PolarHBondContact ND2-OD2 2.91Å; D50-A146 CarbonylContact O-C 3.49Å; D50-A146 VanDerWaalsContact O-CA 3.28Å; D50-A146 WeakPolarHBondContact O-CA 3.43Å; D50-K147 PolarHBondContact O-N 2.69Å; D50-R156 IonicContact OD1-CZ 2.83Å; D50-R156 IonicContact OD1-NH2 3.78Å; D50-R156 PolarHBondContact OD1-NH2 2.97Å
51	R	97.6	Very high	96.8	Very high	90 Å²	90	35.9 Å²	35.9	34%	0.34	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	136.7	165.9	-167	-178.4	-179.9	179	-3	112	E45 G48 E53 S144 V145	E45-R51 HydrophobicContact CB-CB 4.02Å; E45-R51 HydrophobicContact CG-CB 4.24Å; E45-R51 PolarHBondContact N-O 2.9Å; E45-R51 PolarHBondContact O-N 2.93Å; E45-R51 WeakPolarHBondContact OE2-CD 3.49Å; E45-R51 IonicContact OE2-NH1 2.9Å; G48-R51 WeakPolarHBondContact CA-O 3.35Å; R51-E53 IonicContact CZ-OE1 2.71Å; R51-E53 IonicContact NE-OE1 3.64Å; R51-E53 IonicContact NH2-OE1 3.53Å; R51-E53 PolarHBondContact NH2-OE1 2.81Å; R51-S144 PolarHBondContact NE-OG 2.88Å; R51-V145 CarbonylContact C-O 3.59Å; R51-V145 VanDerWaalsContact CA-O 3.31Å; R51-V145 WeakPolarHBondContact CA-O 3.45Å
52	T	98.4	Very high	96.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	120.6	163.2	-68.4	0	0	0	0	107.1	V24 V25 L44 G48 V54 V145	V24-T52 HydrophobicContact CG1-CG2 4.25Å; V25-T52 HydrophobicContact CG2-CG2 3.76Å; L44-T52 HydrophobicContact CD2-CG2 3.8Å; L44-T52 WeakPolarHBondContact CD2-OG1 3.29Å; G48-T52 WeakPolarHBondContact CA-OG1 3.41Å; G48-T52 PolarHBondContact O-OG1 3.49Å; T52-V54 HydrophobicContact CG2-CG2 4.49Å; T52-V145 PolarHBondContact N-O 2.85Å; T52-V145 PolarHBondContact O-N 3.25Å
53	E	98.4	Very high	96.4	Very high	23 Å²	23	42.3 Å²	42.3	11%	0.107	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	125.8	176.2	177.7	173.4	-85.2	0	0	109.3	V42 K43 R51 V143	V42-E53 CarbonylContact C-O 3.5Å; V42-E53 WeakPolarHBondContact CA-O 3.37Å; K43-E53 HydrophobicContact CB-CB 4.36Å; K43-E53 WeakPolarHBondContact CD-OE2 3.33Å; K43-E53 WeakPolarHBondContact CE-OE2 3.49Å; K43-E53 PolarHBondContact N-O 3.47Å; K43-E53 IonicContact NZ-OE2 3.39Å; K43-E53 PolarHBondContact NZ-OE2 2.99Å; K43-E53 PolarHBondContact O-N 2.9Å; R51-E53 IonicContact CZ-OE1 2.71Å; R51-E53 IonicContact NE-OE1 3.64Å; R51-E53 IonicContact NH2-OE1 3.53Å; R51-E53 PolarHBondContact NH2-OE1 2.81Å; E53-V143 WeakPolarHBondContact CA-O 3.46Å
54	V	98.6	Very high	96.1	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.012	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	121	171.5	-178.9	0	0	0	0	107.1	L28 V40 V42 T52 S142 V143	L28-V54 HydrophobicContact CB-CB 3.94Å; L28-V54 HydrophobicContact CB-CG1 4.13Å; L28-V54 HydrophobicContact CB-CG2 3.79Å; L28-V54 HydrophobicContact CD1-CB 4.18Å; L28-V54 HydrophobicContact CD1-CG2 3.84Å; L28-V54 HydrophobicContact CG-CG2 4.5Å; V40-V54 HydrophobicContact CG1-CG1 3.68Å; V42-V54 HydrophobicContact CG1-CG2 4.38Å; V42-V54 HydrophobicContact CG2-CG1 4.38Å; V42-V54 HydrophobicContact CG2-CG2 4.24Å; T52-V54 HydrophobicContact CG2-CG2 4.49Å; V54-S142 CarbonylContact O-C 3.5Å; V54-S142 WeakPolarHBondContact O-CA 3.13Å; V54-V143 PolarHBondContact N-O 2.93Å; V54-V143 PolarHBondContact O-N 3.1Å
55	R	98.1	Very high	95.9	Very high	86 Å²	86	46.1 Å²	46.1	33%	0.325	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	135	177.1	177.6	179.3	179.1	-165.9	0.7	110.3	V40 D41 T141	V40-R55 CarbonylContact C-O 3.43Å; V40-R55 WeakPolarHBondContact CA-O 3.44Å; D41-R55 PolarHBondContact N-O 2.87Å; D41-R55 PolarHBondContact O-N 3.32Å; R55-T141 CarbonylContact C-O 3.6Å; R55-T141 WeakPolarHBondContact CA-O 3.29Å
56	D	98.2	Very high	95.8	Very high	11 Å²	11	43.2 Å²	43.2	6%	0.059	24%	0.238	C	C	.	.			trans	-123.1	-177.7	176.7	64.5	62.7	0	0	0	112.8	S32 A37 S39 V40 G58 T141	S32-D56 WeakPolarHBondContact CB-OD2 3.23Å; S32-D56 WeakPolarHBondContact OG-CB 3.41Å; S32-D56 PolarHBondContact OG-OD2 2.94Å; A37-D56 HydrophobicContact CB-CB 3.7Å; S39-D56 WeakPolarHBondContact O-CA 3.37Å; V40-D56 HydrophobicContact CG2-CB 4.02Å; D56-G58 PolarHBondContact OD1-N 3.36Å; D56-T141 PolarHBondContact N-O 2.87Å; D56-T141 PolarHBondContact OD1-N 3.06Å
57	N	97.1	Very high	95.8	Very high	63 Å²	63	44.7 Å²	44.7	34%	0.337	25%	0.251	S	S	.	.			trans	-126.5	37.1	169.7	74.4	-38.1	0	0	0	111.3	S38 S39	S38-N57 PolarHBondContact N-OD1 2.93Å; S38-N57 PolarHBondContact OG-ND2 3.15Å; S39-N57 PolarHBondContact N-OD1 3.45Å; S39-N57 PolarHBondContact O-N 3.47Å; S39-N57 PolarHBondContact O-OD1 2.8Å
58	G	96.4	Very high	95.7	Very high	12 Å²	12	45.8 Å²	45.8	12%	0.124	26%	0.259	C	S	.	.	S	Bend	trans	-74.7	-167.7	177.1	0	0	0	0	0	113.3	A35 D56 G60 G140	A35-G58 CarbonylContact O-C 3.58Å; A35-G58 WeakPolarHBondContact O-CA 3.49Å; D56-G58 PolarHBondContact OD1-N 3.36Å; G58-G60 PolarHBondContact O-N 3.25Å; G58-G140 VanDerWaalsContact O-CA 3.24Å; G58-G140 WeakPolarHBondContact O-CA 3.5Å; G58-G140 PolarHBondContact O-N 2.89Å
59	C	95.9	Very high	95.7	Very high	85 Å²	85	47.5 Å²	47.5	57%	0.574	27%	0.268	S	S	*	.			trans	-67.4	-12	-178.9	58	0	0	0	0	115.7	A35 T112	A35-C59 PolarHBondContact O-N 2.92Å; C59-T112 WeakPolarHBondContact O-CA 3.45Å
60	G	95.3	Very high	95.6	Very high	13 Å²	13	47.2 Å²	47.2	13%	0.134	27%	0.267	C	S	.	.			trans	85.9	-167	-175.4	0	0	0	0	0	113.3	G58 T110	G58-G60 PolarHBondContact O-N 3.25Å; G60-T110 WeakPolarHBondContact CA-OG1 3.46Å
61	I	95.8	Very high	95.4	Very high	39 Å²	39	46.7 Å²	46.7	20%	0.2	27%	0.266	C	S	.	.			trans	-125.3	125	172.4	-54.5	171.2	0	0	0	106.9	D65 M69 V108 T110 T141	I61-D65 HydrophobicContact CG2-CB 3.98Å; I61-M69 HydrophobicContact CD1-CB 4.47Å; I61-M69 HydrophobicContact CD1-CE 4.28Å; I61-M69 HydrophobicContact CD1-SD 4.16Å; I61-M69 HydrophobicContact CG2-CB 4.45Å; I61-M69 HydrophobicContact CG2-CE 4.41Å; I61-V108 HydrophobicContact CD1-CG1 4.13Å; I61-T110 HydrophobicContact CB-CG2 4.1Å; I61-T110 PolarHBondContact N-OG1 3.46Å; I61-T141 HydrophobicContact CD1-CG2 4.37Å
62	K	94.8	Very high	94.9	Very high	92 Å²	92	45 Å²	45	40%	0.4	26%	0.259	S	S	.	.			trans	-66.7	149.6	-178.9	-69.4	176.7	172	-96.1	0	110.9	A64 D65 A66 T112 E114	K62-A64 PolarHBondContact O-N 3.06Å; K62-A64 VanDerWaalsContact O-N 3.15Å; K62-D65 PolarHBondContact O-N 3.06Å; K62-A66 PolarHBondContact O-N 3.02Å; K62-A66 VanDerWaalsContact O-N 3.14Å; K62-T112 HydrophobicContact CG-CG2 4.2Å; K62-E114 IonicContact NZ-OE1 3.77Å; K62-E114 PolarHBondContact NZ-OE1 2.89Å; K62-E114 IonicContact NZ-OE2 2.7Å; K62-E114 PolarHBondContact NZ-OE2 3.26Å
63	V	93.2	Very high	94.3	Very high	80 Å²	80	51.2 Å²	51.2	49%	0.485	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-31.9	179.6	179.9	0	0	0	0	112.3	A66	V63-A66 PolarHBondContact O-N 3.23Å
64	A	93.1	Very high	93.7	Very high	89 Å²	89	55.5 Å²	55.5	74%	0.736	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-34.4	175.4	0	0	0	0	0	113.7	K62 P67	K62-A64 PolarHBondContact O-N 3.06Å; K62-A64 VanDerWaalsContact O-N 3.15Å; A64-P67 WeakPolarHBondContact O-CD 3.36Å
65	D	94.2	Very high	93.3	Very high	75 Å²	75	58 Å²	58	40%	0.401	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-18.7	179.3	-57.3	-44.9	0	0	0	112.2	I61 K62 P67 V68 M69	I61-D65 HydrophobicContact CG2-CB 3.98Å; K62-D65 PolarHBondContact O-N 3.06Å; D65-P67 VanDerWaalsContact C-CD 3.47Å; D65-V68 CarbonylContact O-C 3.55Å; D65-V68 WeakPolarHBondContact O-CG2 3.39Å; D65-V68 PolarHBondContact O-N 3.47Å; D65-M69 PolarHBondContact O-N 2.88Å
66	A	93.6	Very high	92.8	Very high	3 Å²	3	59.3 Å²	59.3	3%	0.025	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-40.1	-174.5	0	0	0	0	0	114.7	K62 V63 V68 M69 Y121	K62-A66 PolarHBondContact O-N 3.02Å; K62-A66 VanDerWaalsContact O-N 3.14Å; V63-A66 PolarHBondContact O-N 3.23Å; A66-V68 PolarHBondContact O-N 3.11Å; A66-M69 HydrophobicContact CB-CE 3.69Å; A66-M69 WeakPolarHBondContact O-CG 3.47Å; A66-M69 PolarHBondContact O-N 2.99Å; A66-Y121 HydrophobicContact CB-CE1 3.86Å; A66-Y121 HydrophobicContact CB-CE2 4.06Å; A66-Y121 WeakPolarHBondContact CB-OH 3.4Å
67	P	93.6	Very high	92.3	Very high	80 Å²	80	61.1 Å²	61.1	52%	0.519	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-23.5	175.7	-23	35.4	0	0	0	114.5	A64 D65	A64-P67 WeakPolarHBondContact O-CD 3.36Å; D65-P67 VanDerWaalsContact C-CD 3.47Å
68	V	93.2	Very high	91.9	Very high	48 Å²	48	60 Å²	60	29%	0.291	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-5.9	-177.7	-64.1	0	0	0	0	114	D65 A66 A70 V71 F74	D65-V68 CarbonylContact O-C 3.55Å; D65-V68 WeakPolarHBondContact O-CG2 3.39Å; D65-V68 PolarHBondContact O-N 3.47Å; A66-V68 PolarHBondContact O-N 3.11Å; V68-A70 PolarHBondContact O-N 3.39Å; V68-V71 PolarHBondContact O-N 2.89Å; V68-F74 HydrophobicContact CB-CB 4.2Å; V68-F74 HydrophobicContact CB-CD1 3.76Å; V68-F74 HydrophobicContact CB-CE1 4.3Å; V68-F74 HydrophobicContact CB-CG 3.92Å; V68-F74 HydrophobicContact CG1-CD1 3.83Å; V68-F74 HydrophobicContact CG1-CE1 3.84Å; V68-F74 HydrophobicContact CG1-CG 4.29Å; V68-F74 HydrophobicContact CG1-CZ 4.31Å; V68-F74 HydrophobicContact CG2-CD1 4.11Å
69	M	93.8	Very high	91.6	Very high	35 Å²	35	65.1 Å²	65.1	17%	0.172	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-28	-172.4	75.4	167.6	71.3	0	0	115.4	I61 D65 A66 L97 V108 Y121 L123	I61-M69 HydrophobicContact CD1-CB 4.47Å; I61-M69 HydrophobicContact CD1-CE 4.28Å; I61-M69 HydrophobicContact CD1-SD 4.16Å; I61-M69 HydrophobicContact CG2-CB 4.45Å; I61-M69 HydrophobicContact CG2-CE 4.41Å; D65-M69 PolarHBondContact O-N 2.88Å; A66-M69 HydrophobicContact CB-CE 3.69Å; A66-M69 WeakPolarHBondContact O-CG 3.47Å; A66-M69 PolarHBondContact O-N 2.99Å; M69-L97 HydrophobicContact CG-CD2 4.1Å; M69-L97 HydrophobicContact SD-CD2 4.17Å; M69-V108 HydrophobicContact CE-CG1 4.48Å; M69-V108 HydrophobicContact SD-CB 3.93Å; M69-V108 HydrophobicContact SD-CG1 3.95Å; M69-V108 HydrophobicContact SD-CG2 3.84Å; M69-Y121 HydrophobicContact CE-CD2 3.73Å; M69-Y121 HydrophobicContact CE-CE2 4.03Å; M69-Y121 HydrophobicContact CE-CG 4.1Å; M69-L123 HydrophobicContact SD-CD1 4.32Å
70	A	93.5	Very high	91.1	Very high	3 Å²	3	63.3 Å²	63.3	3%	0.025	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.8	8.9	-179.5	0	0	0	0	0	113.3	V68 L97 G98 L123	V68-A70 PolarHBondContact O-N 3.39Å; A70-L97 HydrophobicContact CB-CB 4.19Å; A70-L97 HydrophobicContact CB-CD2 3.88Å; A70-L97 HydrophobicContact CB-CG 3.79Å; A70-G98 WeakPolarHBondContact O-CA 3.39Å; A70-L123 HydrophobicContact CB-CD1 3.69Å
71	V	90.1	Very high	90.6	Very high	52 Å²	52	69.7 Å²	69.7	32%	0.315	39%	0.394	S	S	.	.	S	Bend	trans	-77.6	135.9	170.8	-176.6	0	0	0	0	107.9	V68 F74	V68-V71 PolarHBondContact O-N 2.89Å; V71-F74 HydrophobicContact CB-CD2 3.82Å; V71-F74 HydrophobicContact CB-CE2 4.28Å; V71-F74 HydrophobicContact CG1-CD2 3.56Å; V71-F74 HydrophobicContact CG1-CE2 3.62Å
72	R	86.9	Confident	90.1	Very high	53 Å²	53	74 Å²	74	20%	0.2	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	147.2	-178.6	-71.8	-173.1	175.8	-174.9	-0.3	111.9	R10 S13 S14 F74 G94	R10-R72 PolarHBondContact O-NH2 3.43Å; S13-R72 PolarHBondContact OG-NH1 3.43Å; S13-R72 PolarHBondContact OG-NH2 3.16Å; S14-R72 PolarHBondContact OG-NH2 3.1Å; R72-F74 WeakPolarHBondContact O-CD2 3.43Å; R72-F74 PolarHBondContact O-N 3.38Å; R72-G94 CarbonylContact C-O 3.27Å; R72-G94 WeakPolarHBondContact CA-O 3.39Å
73	H	86.8	Confident	89.6	Confident	131 Å²	131	72.1 Å²	72.1	61%	0.606	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	13.6	178.2	-38.8	-63	0	0	0	113.9	G94 E95	H73-G94 PolarHBondContact N-O 2.84Å; H73-E95 IonicContact CE1-OE1 3.39Å; H73-E95 PolarHBondContact CE1-OE1 2.96Å; H73-E95 IonicContact ND1-OE1 3.31Å
74	F	86.8	Confident	89	Confident	113 Å²	113	71.3 Å²	71.3	50%	0.496	40%	0.4	S	S	.	.			trans	-98.6	131.6	166.7	-76	-98.4	0	0	0	110.1	V68 V71 R72 G94	V68-F74 HydrophobicContact CB-CB 4.2Å; V68-F74 HydrophobicContact CB-CD1 3.76Å; V68-F74 HydrophobicContact CB-CE1 4.3Å; V68-F74 HydrophobicContact CB-CG 3.92Å; V68-F74 HydrophobicContact CG1-CD1 3.83Å; V68-F74 HydrophobicContact CG1-CE1 3.84Å; V68-F74 HydrophobicContact CG1-CG 4.29Å; V68-F74 HydrophobicContact CG1-CZ 4.31Å; V68-F74 HydrophobicContact CG2-CD1 4.11Å; V71-F74 HydrophobicContact CB-CD2 3.82Å; V71-F74 HydrophobicContact CB-CE2 4.28Å; V71-F74 HydrophobicContact CG1-CD2 3.56Å; V71-F74 HydrophobicContact CG1-CE2 3.62Å; R72-F74 WeakPolarHBondContact O-CD2 3.43Å; R72-F74 PolarHBondContact O-N 3.38Å; F74-G94 WeakPolarHBondContact O-CA 3.32Å
75	T	89.8	Confident	88.4	Confident	55 Å²	55	72.3 Å²	72.3	34%	0.337	39%	0.389	S	S	.	.			trans	-154.3	154.6	176.1	-161.3	0	0	0	0	110.7	K77 I78 F92	T75-K77 PolarHBondContact OG1-N 3.21Å; T75-I78 HydrophobicContact CG2-CG1 3.75Å; T75-I78 WeakPolarHBondContact CG2-O 3.39Å; T75-F92 WeakPolarHBondContact CG2-O 3.35Å
76	S	87	Confident	87.8	Confident	114 Å²	114	77.3 Å²	77.3	80%	0.797	40%	0.402	S	S	*	.	S	Bend	trans	-100.5	6.4	172	51.7	0	0	0	0	113
77	K	88.3	Confident	87.3	Confident	49 Å²	49	78 Å²	78	21%	0.213	41%	0.406	C	S	.	.	S	Bend	trans	-107	-21.7	-164.5	-59	178.5	-175.5	-179.9	0	114.5	N31 D34 T75 G91	N31-K77 PolarHBondContact OD1-NZ 3.36Å; D34-K77 HydrophobicContact CB-CD 4.41Å; D34-K77 VanDerWaalsContact CB-NZ 3.35Å; D34-K77 WeakPolarHBondContact OD2-CE 3.47Å; D34-K77 IonicContact OD2-NZ 2.77Å; D34-K77 PolarHBondContact OD2-NZ 2.92Å; T75-K77 PolarHBondContact OG1-N 3.21Å; K77-G91 WeakPolarHBondContact CD-O 3.35Å
78	I	88.4	Confident	86.8	Confident	40 Å²	40	82.4 Å²	82.4	21%	0.205	42%	0.419	C	S	.	.			trans	-144.2	153.6	170.7	58.5	169.5	0	0	0	108.4	T75 D83 L84 L87 F92	T75-I78 HydrophobicContact CG2-CG1 3.75Å; T75-I78 WeakPolarHBondContact CG2-O 3.39Å; I78-D83 HydrophobicContact CB-CB 3.86Å; I78-D83 HydrophobicContact CG2-CB 3.71Å; I78-L84 HydrophobicContact CD1-CD2 3.79Å; I78-L87 HydrophobicContact CG2-CD1 3.89Å; I78-F92 HydrophobicContact CD1-CB 4.16Å; I78-F92 HydrophobicContact CD1-CD2 4.43Å; I78-F92 HydrophobicContact CG1-CB 4.4Å; I78-F92 HydrophobicContact CG2-CB 4.28Å
79	S	88.9	Confident	86.6	Confident	119 Å²	119	82 Å²	82	83%	0.832	42%	0.417	S	S	*	.	S	Bend	trans	-131.5	-21.9	179	65.3	0	0	0	0	113.5	D83	S79-D83 WeakPolarHBondContact CA-OD2 3.4Å; S79-D83 PolarHBondContact N-OD2 3.27Å; S79-D83 PolarHBondContact OG-OD2 2.9Å
80	S	87.1	Confident	86.3	Confident	47 Å²	47	81 Å²	81	33%	0.329	41%	0.411	S	S	.	.	S	Bend	trans	-131.2	178	-176.2	73.5	0	0	0	0	111.7	E82 D83	S80-E82 PolarHBondContact OG-N 3.35Å; S80-D83 PolarHBondContact N-OD2 2.77Å; S80-D83 PolarHBondContact OG-N 3.21Å; S80-D83 PolarHBondContact OG-OD1 3.35Å; S80-D83 PolarHBondContact OG-OD2 3.29Å
81	H	83.4	Confident	85.8	Confident	147 Å²	147	81.1 Å²	81.1	68%	0.681	41%	0.413	S	S	*	.	S	Bend	trans	-73.2	-36.6	168.8	-174.9	59.2	0	0	0	112	D83 L84	H81-D83 PolarHBondContact O-N 3.21Å; H81-L84 VanDerWaalsContact O-CB 3.29Å; H81-L84 WeakPolarHBondContact O-CB 3.34Å; H81-L84 PolarHBondContact O-N 3Å
82	E	85.3	Confident	85.4	Confident	128 Å²	128	79.2 Å²	79.2	60%	0.598	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-62.4	-29.9	-178.3	-61.6	173.9	-150.3	0	0	112.3	S80 L84 E85	S80-E82 PolarHBondContact OG-N 3.35Å; E82-L84 PolarHBondContact O-N 3.41Å; E82-E85 PolarHBondContact O-N 2.74Å; E82-E85 VanDerWaalsContact O-N 3.14Å
83	D	85.4	Confident	85.2	Confident	53 Å²	53	80 Å²	80	28%	0.283	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-62.4	-22.4	176.1	-58.4	-34.2	0	0	0	112.7	I78 S79 S80 H81 R86 L87	I78-D83 HydrophobicContact CB-CB 3.86Å; I78-D83 HydrophobicContact CG2-CB 3.71Å; S79-D83 WeakPolarHBondContact CA-OD2 3.4Å; S79-D83 PolarHBondContact N-OD2 3.27Å; S79-D83 PolarHBondContact OG-OD2 2.9Å; S80-D83 PolarHBondContact N-OD2 2.77Å; S80-D83 PolarHBondContact OG-N 3.21Å; S80-D83 PolarHBondContact OG-OD1 3.35Å; S80-D83 PolarHBondContact OG-OD2 3.29Å; H81-D83 PolarHBondContact O-N 3.21Å; D83-R86 CarbonylContact O-C 3.54Å; D83-R86 PolarHBondContact O-N 3.04Å; D83-L87 PolarHBondContact O-N 3.06Å
84	L	80.8	Confident	85.1	Confident	64 Å²	64	74.6 Å²	74.6	34%	0.335	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-69	-35	176	-62.8	174.8	0	0	0	112.1	I78 H81 E82 R86 L87 F92	I78-L84 HydrophobicContact CD1-CD2 3.79Å; H81-L84 VanDerWaalsContact O-CB 3.29Å; H81-L84 WeakPolarHBondContact O-CB 3.34Å; H81-L84 PolarHBondContact O-N 3Å; E82-L84 PolarHBondContact O-N 3.41Å; L84-R86 PolarHBondContact O-N 2.99Å; L84-L87 WeakPolarHBondContact O-CB 3.37Å; L84-L87 PolarHBondContact O-N 2.98Å; L84-F92 HydrophobicContact CD2-CD2 3.95Å; L84-F92 HydrophobicContact CD2-CE2 4.35Å
85	E	78.9	Confident	85.1	Confident	109 Å²	109	71.3 Å²	71.3	51%	0.509	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-69.8	-12.7	177.4	-57.6	-171.4	163.7	0	0	112.8	E82 P302 S303	E82-E85 PolarHBondContact O-N 2.74Å; E82-E85 VanDerWaalsContact O-N 3.14Å; E85-P302 CarbonylContact O-C 3.58Å; E85-P302 WeakPolarHBondContact O-CB 3.48Å; E85-S303 PolarHBondContact O-N 2.63Å; E85-S303 VanDerWaalsContact O-N 3.11Å
86	R	83.1	Confident	85.1	Confident	180 Å²	180	69.5 Å²	69.5	68%	0.679	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-123.4	20.4	-175.8	-55	-175.7	-171	170.2	7.9	112.2	D83 L84 E88	D83-R86 CarbonylContact O-C 3.54Å; D83-R86 PolarHBondContact O-N 3.04Å; L84-R86 PolarHBondContact O-N 2.99Å; R86-E88 PolarHBondContact O-N 2.97Å
87	L	82.8	Confident	85.5	Confident	18 Å²	18	65.2 Å²	65.2	9%	0.094	33%	0.328	C	S	.	.			trans	-73.8	99.4	-166.1	-178.3	65.4	0	0	0	113.9	I78 D83 L84 T89 F92 R263 V307	I78-L87 HydrophobicContact CG2-CD1 3.89Å; D83-L87 PolarHBondContact O-N 3.06Å; L84-L87 WeakPolarHBondContact O-CB 3.37Å; L84-L87 PolarHBondContact O-N 2.98Å; L87-T89 WeakPolarHBondContact CD1-OG1 3.44Å; L87-F92 HydrophobicContact CD1-CB 3.91Å; L87-F92 HydrophobicContact CD1-CG 4.47Å; L87-F92 HydrophobicContact CD2-CB 4.03Å; L87-F92 HydrophobicContact CD2-CD1 3.51Å; L87-F92 HydrophobicContact CD2-CD2 4.22Å; L87-F92 HydrophobicContact CD2-CE1 3.93Å; L87-F92 HydrophobicContact CD2-CG 3.67Å; L87-F92 HydrophobicContact CD2-CZ 4.45Å; L87-R263 PolarHBondContact O-NH2 3.27Å; L87-V307 HydrophobicContact CD2-CG2 3.68Å
88	E	83.4	Confident	85.7	Confident	172 Å²	172	63 Å²	63	80%	0.804	32%	0.32	S	S	*	.			trans	-85.2	-26	174.3	-59.2	-161.9	157.7	0	0	114.1	R86 R263	R86-E88 PolarHBondContact O-N 2.97Å; E88-R263 PolarHBondContact O-NH2 3.26Å
89	T	87.6	Confident	86	Confident	39 Å²	39	61.2 Å²	61.2	24%	0.239	31%	0.311	C	S	.	.	S	Bend	trans	-80.6	148	-172.6	56.4	0	0	0	0	114	D34 L87 G91 R263	D34-T89 WeakPolarHBondContact OD1-CA 3.47Å; D34-T89 WeakPolarHBondContact OD1-CB 3.36Å; L87-T89 WeakPolarHBondContact CD1-OG1 3.44Å; T89-G91 PolarHBondContact OG1-O 3.14Å; T89-R263 VanDerWaalsContact O-CZ 3.25Å; T89-R263 PolarHBondContact O-NH1 2.98Å; T89-R263 PolarHBondContact O-NH2 3.09Å
90	Y	87	Confident	86.3	Confident	14 Å²	14	55.6 Å²	55.6	6%	0.055	27%	0.272	C	S	.	.	S	Bend	trans	-69	-38.6	-178.7	-68.4	-82.6	0	0	0	112.8	E30 L33 D34 F179 K183 K262 R263 K313	E30-Y90 HydrophobicContact CB-CG 4.32Å; E30-Y90 HydrophobicContact CG-CD1 4.09Å; E30-Y90 HydrophobicContact CG-CG 4.02Å; L33-Y90 HydrophobicContact CB-CD2 3.91Å; L33-Y90 HydrophobicContact CB-CE2 3.92Å; L33-Y90 HydrophobicContact CD1-CD2 4.36Å; L33-Y90 HydrophobicContact CD1-CE2 3.99Å; D34-Y90 WeakPolarHBondContact OD1-CD2 3.47Å; D34-Y90 PolarHBondContact OD1-N 3.46Å; D34-Y90 PolarHBondContact OD2-N 2.77Å; Y90-F179 HydrophobicContact CD1-CE1 4.36Å; Y90-F179 AromaticContact CE1-CE1 3.83Å; Y90-F179 HydrophobicContact CE1-CE1 3.83Å; Y90-K183 WeakPolarHBondContact OH-CE 3.49Å; Y90-K262 PolarHBondContact OH-O 3.49Å; Y90-R263 HydrophobicContact CD1-CG 4.2Å; Y90-R263 HydrophobicContact CE1-CB 4.45Å; Y90-R263 HydrophobicContact CE1-CG 4.04Å; Y90-K313 PolarHBondContact O-NZ 2.99Å
91	G	83.8	Confident	86.7	Confident	6 Å²	6	53.4 Å²	53.4	6%	0.062	26%	0.256	C	S	.	.			trans	-99.6	153.6	170	0	0	0	0	0	113	D34 K77 T89	D34-G91 PolarHBondContact OD2-N 2.88Å; K77-G91 WeakPolarHBondContact CD-O 3.35Å; T89-G91 PolarHBondContact OG1-O 3.14Å
92	F	82.8	Confident	87.2	Confident	12 Å²	12	46.6 Å²	46.6	5%	0.053	23%	0.225	C	C	.	.			trans	-158.1	-34.7	174.5	59.5	-80.4	0	0	0	113.5	T75 I78 L84 L87 G94 V307 N308	T75-F92 WeakPolarHBondContact CG2-O 3.35Å; I78-F92 HydrophobicContact CD1-CB 4.16Å; I78-F92 HydrophobicContact CD1-CD2 4.43Å; I78-F92 HydrophobicContact CG1-CB 4.4Å; I78-F92 HydrophobicContact CG2-CB 4.28Å; L84-F92 HydrophobicContact CD2-CD2 3.95Å; L84-F92 HydrophobicContact CD2-CE2 4.35Å; L87-F92 HydrophobicContact CD1-CB 3.91Å; L87-F92 HydrophobicContact CD1-CG 4.47Å; L87-F92 HydrophobicContact CD2-CB 4.03Å; L87-F92 HydrophobicContact CD2-CD1 3.51Å; L87-F92 HydrophobicContact CD2-CD2 4.22Å; L87-F92 HydrophobicContact CD2-CE1 3.93Å; L87-F92 HydrophobicContact CD2-CG 3.67Å; L87-F92 HydrophobicContact CD2-CZ 4.45Å; F92-G94 VanDerWaalsContact C-N 3.25Å; F92-G94 PolarHBondContact O-N 2.84Å; F92-G94 VanDerWaalsContact O-N 3.09Å; F92-V307 HydrophobicContact CE1-CG2 3.68Å; F92-V307 HydrophobicContact CZ-CG2 3.89Å; F92-N308 HydrophobicContact CZ-CB 4.32Å
93	R	82.8	Confident	87.7	Confident	69 Å²	69	40.5 Å²	40.5	26%	0.26	20%	0.197	S	C	.	.	S	Bend	trans	-62.6	-18.2	-174.9	-62.7	-173.5	178.5	-180	2.1	116.9	E95 N308	R93-E95 VanDerWaalsContact C-N 3.3Å; R93-E95 HydrophobicContact CB-CB 4.47Å; R93-E95 HydrophobicContact CB-CG 4.22Å; R93-E95 PolarHBondContact O-N 3.2Å; R93-N308 VanDerWaalsContact CZ-OD1 3.23Å; R93-N308 PolarHBondContact NE-OD1 2.93Å; R93-N308 PolarHBondContact NH2-O 2.99Å; R93-N308 PolarHBondContact NH2-OD1 3.26Å
94	G	83.8	Confident	88.2	Confident	19 Å²	19	38.4 Å²	38.4	20%	0.196	19%	0.187	C	C	.	.	S	Bend	trans	66.6	24.3	-175.4	0	0	0	0	0	115.1	R72 H73 F74 F92	R72-G94 CarbonylContact C-O 3.27Å; R72-G94 WeakPolarHBondContact CA-O 3.39Å; H73-G94 PolarHBondContact N-O 2.84Å; F74-G94 WeakPolarHBondContact O-CA 3.32Å; F92-G94 VanDerWaalsContact C-N 3.25Å; F92-G94 PolarHBondContact O-N 2.84Å; F92-G94 VanDerWaalsContact O-N 3.09Å
95	E	87.6	Confident	88.9	Confident	44 Å²	44	40 Å²	40	21%	0.206	19%	0.192	C	C	.	.			trans	-112.7	-19.5	-172.6	-68.8	-177.4	136.4	0	0	115	H73 R93 S99	H73-E95 IonicContact CE1-OE1 3.39Å; H73-E95 PolarHBondContact CE1-OE1 2.96Å; H73-E95 IonicContact ND1-OE1 3.31Å; R93-E95 VanDerWaalsContact C-N 3.3Å; R93-E95 HydrophobicContact CB-CB 4.47Å; R93-E95 HydrophobicContact CB-CG 4.22Å; R93-E95 PolarHBondContact O-N 3.2Å; E95-S99 WeakPolarHBondContact O-CB 3.36Å; E95-S99 PolarHBondContact O-N 2.78Å; E95-S99 PolarHBondContact O-OG 2.99Å
96	A	89.8	Confident	89.9	Confident	17 Å²	17	34.9 Å²	34.9	14%	0.14	17%	0.169	C	C	.	.	H	α-helix	trans	-61.4	-57.2	-163.6	0	0	0	0	0	113.8	E27 S99 I100	E27-A96 HydrophobicContact CB-CB 3.93Å; E27-A96 HydrophobicContact CG-CB 4.15Å; A96-S99 WeakPolarHBondContact O-CB 3.42Å; A96-S99 PolarHBondContact O-N 2.93Å; A96-S99 VanDerWaalsContact O-N 3.16Å; A96-I100 WeakPolarHBondContact O-CG1 3.34Å; A96-I100 PolarHBondContact O-N 3.01Å
97	L	93.8	Very high	90.6	Very high	23 Å²	23	28 Å²	28	12%	0.12	15%	0.147	C	C	.	.	H	α-helix	trans	-66.3	-44.5	-174.6	-170.7	61	0	0	0	111.7	M69 A70 S99 I100 C101 V106 V108 L123 V143	M69-L97 HydrophobicContact CG-CD2 4.1Å; M69-L97 HydrophobicContact SD-CD2 4.17Å; A70-L97 HydrophobicContact CB-CB 4.19Å; A70-L97 HydrophobicContact CB-CD2 3.88Å; A70-L97 HydrophobicContact CB-CG 3.79Å; L97-S99 VanDerWaalsContact C-N 3.26Å; L97-S99 PolarHBondContact O-N 3.38Å; L97-I100 WeakPolarHBondContact O-CB 3.41Å; L97-I100 PolarHBondContact O-N 2.89Å; L97-I100 VanDerWaalsContact O-N 3.15Å; L97-C101 PolarHBondContact O-N 2.88Å; L97-C101 PolarHBondContact O-SG 2.9Å; L97-V106 HydrophobicContact CD1-CG1 3.99Å; L97-V108 HydrophobicContact CD2-CG2 4.04Å; L97-L123 HydrophobicContact CD2-CD1 4.23Å; L97-L123 HydrophobicContact CG-CD1 4.44Å; L97-V143 HydrophobicContact CD1-CG1 4.01Å
98	G	93.6	Very high	91.3	Very high	4 Å²	4	27.1 Å²	27.1	4%	0.041	14%	0.142	C	C	.	.	H	α-helix	trans	-61.2	-31.5	172.7	0	0	0	0	0	113.9	A70 A102	A70-G98 WeakPolarHBondContact O-CA 3.39Å; G98-A102 PolarHBondContact O-N 2.88Å
99	S	93.9	Very high	92	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.007	11%	0.106	C	C	.	.	H	α-helix	trans	-70.1	-39.7	174	-62.8	0	0	0	0	112.3	S14 E95 A96 L97 A102	S14-S99 WeakPolarHBondContact CB-O 3.49Å; S14-S99 WeakPolarHBondContact OG-CA 3.32Å; E95-S99 WeakPolarHBondContact O-CB 3.36Å; E95-S99 PolarHBondContact O-N 2.78Å; E95-S99 PolarHBondContact O-OG 2.99Å; A96-S99 WeakPolarHBondContact O-CB 3.42Å; A96-S99 PolarHBondContact O-N 2.93Å; A96-S99 VanDerWaalsContact O-N 3.16Å; L97-S99 VanDerWaalsContact C-N 3.26Å; L97-S99 PolarHBondContact O-N 3.38Å; S99-A102 PolarHBondContact O-N 2.67Å
100	I	95.8	Very high	92.5	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.01	10%	0.096	C	C	.	.	H	α-helix	trans	-64	-45.7	173.3	-62.8	162.9	0	0	0	110.3	V18 V24 L28 A96 L97 A102 V103 A104 V106 V145	V18-I100 HydrophobicContact CG2-CG1 4Å; V24-I100 HydrophobicContact CG1-CD1 4.16Å; V24-I100 HydrophobicContact CG1-CG2 4.5Å; V24-I100 HydrophobicContact CG2-CG1 4.49Å; L28-I100 HydrophobicContact CD2-CD1 4.15Å; L28-I100 HydrophobicContact CG-CD1 4.22Å; A96-I100 WeakPolarHBondContact O-CG1 3.34Å; A96-I100 PolarHBondContact O-N 3.01Å; L97-I100 WeakPolarHBondContact O-CB 3.41Å; L97-I100 PolarHBondContact O-N 2.89Å; L97-I100 VanDerWaalsContact O-N 3.15Å; I100-A102 PolarHBondContact O-N 3.4Å; I100-V103 WeakPolarHBondContact O-CG2 3.3Å; I100-V103 PolarHBondContact O-N 2.74Å; I100-A104 HydrophobicContact CG2-CB 4.38Å; I100-A104 WeakPolarHBondContact O-CB 3.49Å; I100-A104 PolarHBondContact O-N 3.18Å; I100-V106 HydrophobicContact CG2-CG2 3.78Å; I100-V145 HydrophobicContact CG2-CB 4.27Å; I100-V145 HydrophobicContact CG2-CG1 3.5Å; I100-V145 HydrophobicContact CG2-CG2 3.69Å
101	C	95.6	Very high	92.9	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.007	10%	0.103	C	C	.	.	H	α-helix	trans	-53.6	-36.9	175.4	-73.5	0	0	0	0	113.5	L97 V103 V106 D124 S125	L97-C101 PolarHBondContact O-N 2.88Å; L97-C101 PolarHBondContact O-SG 2.9Å; C101-V103 VanDerWaalsContact C-N 3.31Å; C101-V103 PolarHBondContact O-N 2.87Å; C101-V106 HydrophobicContact CB-CG2 4.41Å; C101-D124 WeakPolarHBondContact CB-O 3.37Å; C101-S125 VanDerWaalsContact O-CA 3.26Å; C101-S125 WeakPolarHBondContact O-CA 3.18Å; C101-S125 VanDerWaalsContact O-CB 3.29Å; C101-S125 WeakPolarHBondContact O-CB 3.42Å
102	A	94.3	Very high	93.5	Very high	4 Å²	4	19.4 Å²	19.4	3%	0.033	10%	0.103	C	C	.	.	H	α-helix	trans	-66.7	-29.4	178.2	0	0	0	0	0	113.7	R10 S14 G98 S99 I100	R10-A102 HydrophobicContact CG-CB 4Å; S14-A102 WeakPolarHBondContact OG-CB 3.4Å; G98-A102 PolarHBondContact O-N 2.88Å; S99-A102 PolarHBondContact O-N 2.67Å; I100-A102 PolarHBondContact O-N 3.4Å
103	V	94.4	Very high	93.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-110.8	-4.3	-171.7	-59.3	0	0	0	0	114.8	L11 V18 I100 C101 L148 F149 L152	L11-V103 HydrophobicContact CD1-CG1 4.07Å; V18-V103 HydrophobicContact CB-CG2 4.02Å; V18-V103 HydrophobicContact CG1-CG2 3.83Å; V18-V103 HydrophobicContact CG2-CG2 4.4Å; I100-V103 WeakPolarHBondContact O-CG2 3.3Å; I100-V103 PolarHBondContact O-N 2.74Å; C101-V103 VanDerWaalsContact C-N 3.31Å; C101-V103 PolarHBondContact O-N 2.87Å; V103-L148 HydrophobicContact CG2-CD1 3.97Å; V103-F149 HydrophobicContact CB-CD1 4.45Å; V103-F149 WeakPolarHBondContact O-CA 3.27Å; V103-F149 PolarHBondContact O-N 2.93Å; V103-L152 HydrophobicContact CG1-CD1 3.95Å
104	A	96.3	Very high	94.4	Very high	9 Å²	9	31.9 Å²	31.9	7%	0.074	17%	0.165	C	C	.	.	S	Bend	trans	-147.7	174.4	-175.5	0	0	0	0	0	111.3	I100 V145 A146 L148	I100-A104 HydrophobicContact CG2-CB 4.38Å; I100-A104 WeakPolarHBondContact O-CB 3.49Å; I100-A104 PolarHBondContact O-N 3.18Å; A104-V145 HydrophobicContact CB-CG1 3.45Å; A104-V145 VanDerWaalsContact CB-CG1 3.45Å; A104-A146 WeakPolarHBondContact CB-O 3.36Å; A104-L148 HydrophobicContact CB-CD1 4.07Å
105	E	97	Very high	94.8	Very high	96 Å²	96	32.5 Å²	32.5	45%	0.449	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	130.5	166.1	-66.7	167.8	-175.1	0	0	108.4	V145 A146 K147	E105-V145 CarbonylContact O-C 3.58Å; E105-A146 HydrophobicContact CB-CB 4.32Å; E105-A146 PolarHBondContact N-O 3.39Å; E105-A146 PolarHBondContact O-N 3.22Å; E105-K147 WeakPolarHBondContact OE1-CD 3.23Å; E105-K147 IonicContact OE1-NZ 3.16Å; E105-K147 PolarHBondContact OE1-NZ 2.82Å; E105-K147 IonicContact OE2-NZ 3.37Å; E105-K147 PolarHBondContact OE2-NZ 3.28Å
106	V	98.2	Very high	94.9	Very high	2 Å²	2	38 Å²	38	1%	0.012	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	136.7	-171.8	-178.7	0	0	0	0	111.6	L97 I100 C101 V108 L123 V143	L97-V106 HydrophobicContact CD1-CG1 3.99Å; I100-V106 HydrophobicContact CG2-CG2 3.78Å; C101-V106 HydrophobicContact CB-CG2 4.41Å; V106-V108 HydrophobicContact CG1-CG2 4.26Å; V106-L123 HydrophobicContact CB-CB 4.41Å; V106-L123 HydrophobicContact CG1-CD1 4.04Å; V106-L123 PolarHBondContact O-N 2.85Å; V106-V143 HydrophobicContact CG1-CG1 4.14Å
107	T	98.1	Very high	95.1	Very high	35 Å²	35	40.7 Å²	40.7	22%	0.215	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	123.9	172.3	-56	0	0	0	0	108.9	Q120 Y121 S144	T107-Q120 VanDerWaalsContact CG2-CD 3.49Å; T107-Q120 HydrophobicContact CG2-CG 3.47Å; T107-Q120 VanDerWaalsContact CG2-CG 3.47Å; T107-Y121 CarbonylContact C-O 3.55Å; T107-Y121 WeakPolarHBondContact CA-O 3.24Å; T107-S144 PolarHBondContact N-O 3.3Å; T107-S144 PolarHBondContact O-N 2.91Å
108	V	98.2	Very high	95.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	127.9	176.5	-179.3	0	0	0	0	107.9	I61 M69 L97 V106 Q120 Y121 L123 T141 V143	I61-V108 HydrophobicContact CD1-CG1 4.13Å; M69-V108 HydrophobicContact CE-CG1 4.48Å; M69-V108 HydrophobicContact SD-CB 3.93Å; M69-V108 HydrophobicContact SD-CG1 3.95Å; M69-V108 HydrophobicContact SD-CG2 3.84Å; L97-V108 HydrophobicContact CD2-CG2 4.04Å; V106-V108 HydrophobicContact CG1-CG2 4.26Å; V108-Q120 CarbonylContact O-C 3.54Å; V108-Q120 WeakPolarHBondContact O-CA 3.4Å; V108-Y121 PolarHBondContact N-O 3.32Å; V108-Y121 PolarHBondContact O-N 3.04Å; V108-L123 HydrophobicContact CG2-CD1 3.97Å; V108-T141 HydrophobicContact CG1-CG2 3.92Å; V108-V143 HydrophobicContact CG1-CG2 4.43Å; V108-V143 HydrophobicContact CG2-CG1 4.3Å; V108-V143 HydrophobicContact CG2-CG2 4.25Å
109	T	97.8	Very high	95.3	Very high	9 Å²	9	40.4 Å²	40.4	6%	0.055	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	129.7	166.9	-46.6	0	0	0	0	107.8	T119 Q120 L137 T141 S142	T109-T119 CarbonylContact C-O 3.59Å; T109-T119 WeakPolarHBondContact CA-O 3.19Å; T109-Q120 HydrophobicContact CG2-CB 4.1Å; T109-Q120 WeakPolarHBondContact OG1-CG 3.4Å; T109-Q120 PolarHBondContact OG1-NE2 3.13Å; T109-L137 HydrophobicContact CG2-CB 3.89Å; T109-L137 HydrophobicContact CG2-CD2 4.03Å; T109-L137 HydrophobicContact CG2-CG 4.43Å; T109-T141 CarbonylContact O-C 3.57Å; T109-T141 WeakPolarHBondContact O-CA 3.46Å; T109-S142 PolarHBondContact N-O 3.48Å; T109-S142 PolarHBondContact O-N 2.9Å
110	T	97.6	Very high	95.5	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.018	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	154	-175.9	-164.7	0	0	0	0	111.2	G60 I61 S118 T119 Y121 G140 T141	G60-T110 WeakPolarHBondContact CA-OG1 3.46Å; I61-T110 HydrophobicContact CB-CG2 4.1Å; I61-T110 PolarHBondContact N-OG1 3.46Å; T110-S118 CarbonylContact O-C 3.55Å; T110-S118 VanDerWaalsContact O-CA 3.32Å; T110-S118 WeakPolarHBondContact O-CA 3.43Å; T110-S118 WeakPolarHBondContact O-CB 3.5Å; T110-T119 PolarHBondContact N-O 3.1Å; T110-T119 PolarHBondContact O-N 2.99Å; T110-Y121 HydrophobicContact CG2-CE2 4.14Å; T110-G140 WeakPolarHBondContact CA-O 3.39Å; T110-T141 PolarHBondContact OG1-OG1 2.99Å
111	K	96	Very high	95.6	Very high	47 Å²	47	41.9 Å²	41.9	20%	0.204	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	122.5	170.7	-164	-165.5	150.8	150.8	0	109.5	D115 D116 G140	K111-D115 WeakPolarHBondContact CE-O 3.39Å; K111-D115 HydrophobicContact CG-CB 3.82Å; K111-D115 PolarHBondContact NZ-O 3.34Å; K111-D116 PolarHBondContact NZ-O 2.82Å; K111-G140 PolarHBondContact N-O 2.88Å; K111-G140 PolarHBondContact O-N 3.46Å
112	T	95.7	Very high	95.7	Very high	10 Å²	10	43.8 Å²	43.8	6%	0.061	23%	0.226	C	C	.	.			trans	-82.1	176.7	168.3	70.2	0	0	0	0	111.1	C59 K62 E114 D115	C59-T112 WeakPolarHBondContact O-CA 3.45Å; K62-T112 HydrophobicContact CG-CG2 4.2Å; T112-E114 VanDerWaalsContact C-N 3.29Å; T112-E114 PolarHBondContact OG1-N 3.35Å; T112-D115 WeakPolarHBondContact CB-OD2 3.06Å; T112-D115 PolarHBondContact N-OD2 3.08Å; T112-D115 VanDerWaalsContact OG1-CG 3.27Å; T112-D115 PolarHBondContact OG1-N 3.07Å; T112-D115 PolarHBondContact OG1-OD2 2.85Å
113	E	93	Very high	95.8	Very high	197 Å²	197	44 Å²	44	92%	0.921	23%	0.226	S	C	*	.	S	Bend	trans	-71.5	-25.5	171.4	-171.3	165	-161.8	0	0	112.5
114	E	91.9	Very high	95.8	Very high	147 Å²	147	46.8 Å²	46.8	69%	0.687	24%	0.241	S	C	*	.	S	Bend	trans	-78.9	-16.9	179.8	-65.9	161.9	-160.5	0	0	113.2	K62 T112	K62-E114 IonicContact NZ-OE1 3.77Å; K62-E114 PolarHBondContact NZ-OE1 2.89Å; K62-E114 IonicContact NZ-OE2 2.7Å; K62-E114 PolarHBondContact NZ-OE2 3.26Å; T112-E114 VanDerWaalsContact C-N 3.29Å; T112-E114 PolarHBondContact OG1-N 3.35Å
115	D	92.2	Very high	95.6	Very high	32 Å²	32	47.9 Å²	47.9	17%	0.171	25%	0.248	C	C	.	.			trans	-83.9	142	-179.2	-64.9	-63.4	0	0	0	112.4	K111 T112	K111-D115 WeakPolarHBondContact CE-O 3.39Å; K111-D115 HydrophobicContact CG-CB 3.82Å; K111-D115 PolarHBondContact NZ-O 3.34Å; T112-D115 WeakPolarHBondContact CB-OD2 3.06Å; T112-D115 PolarHBondContact N-OD2 3.08Å; T112-D115 VanDerWaalsContact OG1-CG 3.27Å; T112-D115 PolarHBondContact OG1-N 3.07Å; T112-D115 PolarHBondContact OG1-OD2 2.85Å
116	D	90.8	Very high	95.3	Very high	159 Å²	159	45 Å²	45	85%	0.85	24%	0.239	S	C	*	.	S	Bend	trans	-71.5	-47.2	164.6	-76	-52.4	0	0	0	111.5	K111	K111-D116 PolarHBondContact NZ-O 2.82Å
117	V	93.4	Very high	95	Very high	73 Å²	73	45 Å²	45	44%	0.442	24%	0.239	S	C	.	.	S	Bend	trans	-129.8	134.5	-167.9	-177.9	0	0	0	0	110.1	P134 S135	V117-P134 HydrophobicContact CG1-CB 3.99Å; V117-S135 WeakPolarHBondContact CG1-O 3.41Å
118	S	95	Very high	94.8	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.007	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	139.9	177.1	74.4	0	0	0	0	111.5	T110 S135 H136 L137	T110-S118 CarbonylContact O-C 3.55Å; T110-S118 VanDerWaalsContact O-CA 3.32Å; T110-S118 WeakPolarHBondContact O-CA 3.43Å; T110-S118 WeakPolarHBondContact O-CB 3.5Å; S118-S135 PolarHBondContact O-N 2.86Å; S118-S135 WeakPolarHBondContact OG-CB 3.34Å; S118-S135 PolarHBondContact OG-O 3.43Å; S118-H136 PolarHBondContact OG-N 3.29Å; S118-L137 WeakPolarHBondContact OG-CB 3.41Å; S118-L137 PolarHBondContact OG-N 3.18Å
119	T	96.8	Very high	94.8	Very high	21 Å²	21	47.9 Å²	47.9	13%	0.129	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	136.6	177.6	-65.8	0	0	0	0	110.7	T109 T110 Y121 Q132	T109-T119 CarbonylContact C-O 3.59Å; T109-T119 WeakPolarHBondContact CA-O 3.19Å; T110-T119 PolarHBondContact N-O 3.1Å; T110-T119 PolarHBondContact O-N 2.99Å; T119-Y121 HydrophobicContact CG2-CD1 4.36Å; T119-Y121 HydrophobicContact CG2-CD2 4.07Å; T119-Y121 HydrophobicContact CG2-CE1 3.85Å; T119-Y121 HydrophobicContact CG2-CE2 3.5Å; T119-Y121 HydrophobicContact CG2-CG 4.48Å; T119-Q132 HydrophobicContact CG2-CG 3.42Å; T119-Q132 VanDerWaalsContact CG2-CG 3.42Å
120	Q	97.8	Very high	94.7	Very high	31 Å²	31	52 Å²	52	15%	0.145	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	125.6	172	-178	170.2	98.7	0	0	111.2	T107 V108 T109 Q132 R133	T107-Q120 VanDerWaalsContact CG2-CD 3.49Å; T107-Q120 HydrophobicContact CG2-CG 3.47Å; T107-Q120 VanDerWaalsContact CG2-CG 3.47Å; V108-Q120 CarbonylContact O-C 3.54Å; V108-Q120 WeakPolarHBondContact O-CA 3.4Å; T109-Q120 HydrophobicContact CG2-CB 4.1Å; T109-Q120 WeakPolarHBondContact OG1-CG 3.4Å; T109-Q120 PolarHBondContact OG1-NE2 3.13Å; Q120-Q132 CarbonylContact O-C 3.59Å; Q120-Q132 WeakPolarHBondContact O-CA 3.38Å; Q120-R133 HydrophobicContact CB-CG 4.09Å; Q120-R133 PolarHBondContact N-O 2.73Å; Q120-R133 PolarHBondContact O-N 3.46Å; Q120-R133 VanDerWaalsContact OE1-CZ 3.24Å
121	Y	97.9	Very high	94.7	Very high	3 Å²	3	54.4 Å²	54.4	1%	0.012	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	129.1	176.3	-56.3	-87	0	0	0	110	A66 M69 T107 V108 T110 T119 I129 S131 Q132	A66-Y121 HydrophobicContact CB-CE1 3.86Å; A66-Y121 HydrophobicContact CB-CE2 4.06Å; A66-Y121 WeakPolarHBondContact CB-OH 3.4Å; M69-Y121 HydrophobicContact CE-CD2 3.73Å; M69-Y121 HydrophobicContact CE-CE2 4.03Å; M69-Y121 HydrophobicContact CE-CG 4.1Å; T107-Y121 CarbonylContact C-O 3.55Å; T107-Y121 WeakPolarHBondContact CA-O 3.24Å; V108-Y121 PolarHBondContact N-O 3.32Å; V108-Y121 PolarHBondContact O-N 3.04Å; T110-Y121 HydrophobicContact CG2-CE2 4.14Å; T119-Y121 HydrophobicContact CG2-CD1 4.36Å; T119-Y121 HydrophobicContact CG2-CD2 4.07Å; T119-Y121 HydrophobicContact CG2-CE1 3.85Å; T119-Y121 HydrophobicContact CG2-CE2 3.5Å; T119-Y121 HydrophobicContact CG2-CG 4.48Å; Y121-I129 HydrophobicContact CD1-CD1 3.57Å; Y121-I129 HydrophobicContact CD1-CG1 3.98Å; Y121-I129 HydrophobicContact CD1-CG2 4Å; Y121-I129 HydrophobicContact CE1-CD1 3.88Å; Y121-I129 HydrophobicContact CG-CD1 4.46Å; Y121-S131 CarbonylContact C-O 3.55Å; Y121-S131 WeakPolarHBondContact CA-O 3.41Å; Y121-Q132 HydrophobicContact CD1-CB 4.17Å; Y121-Q132 HydrophobicContact CD1-CG 3.89Å; Y121-Q132 HydrophobicContact CE1-CB 4.33Å; Y121-Q132 VanDerWaalsContact CE1-CD 3.45Å; Y121-Q132 HydrophobicContact CE1-CG 3.65Å
122	T	97.8	Very high	94.7	Very high	41 Å²	41	57.6 Å²	57.6	25%	0.252	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	129.7	165.6	-50.8	0	0	0	0	108.6	V130 S131	T122-V130 HydrophobicContact CG2-CG2 3.95Å; T122-V130 WeakPolarHBondContact O-CG2 3.35Å; T122-V130 PolarHBondContact O-N 3.28Å; T122-S131 WeakPolarHBondContact CB-OG 3.43Å; T122-S131 PolarHBondContact N-O 3.31Å; T122-S131 PolarHBondContact O-N 3.04Å; T122-S131 PolarHBondContact OG1-OG 2.91Å
123	L	97.2	Very high	94.7	Very high	9 Å²	9	64.4 Å²	64.4	5%	0.047	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	142.1	-176.5	-53.9	178	0	0	0	111	M69 A70 L97 V106 V108 A128 I129	M69-L123 HydrophobicContact SD-CD1 4.32Å; A70-L123 HydrophobicContact CB-CD1 3.69Å; L97-L123 HydrophobicContact CD2-CD1 4.23Å; L97-L123 HydrophobicContact CG-CD1 4.44Å; V106-L123 HydrophobicContact CB-CB 4.41Å; V106-L123 HydrophobicContact CG1-CD1 4.04Å; V106-L123 PolarHBondContact O-N 2.85Å; V108-L123 HydrophobicContact CG2-CD1 3.97Å; L123-A128 WeakPolarHBondContact CA-O 3.44Å; L123-I129 HydrophobicContact CD2-CG1 3.81Å
124	D	94.4	Very high	94.8	Very high	58 Å²	58	59.9 Å²	59.9	31%	0.31	33%	0.328	S	S	.	.			trans	-84	-175.6	169.4	84.1	-11.3	0	0	0	112.2	C101 S126 G127 A128 V130	C101-D124 WeakPolarHBondContact CB-O 3.37Å; D124-S126 VanDerWaalsContact C-N 3.26Å; D124-S126 VanDerWaalsContact CG-OG 3.29Å; D124-S126 PolarHBondContact O-N 3.33Å; D124-S126 WeakPolarHBondContact OD1-CA 3.36Å; D124-S126 WeakPolarHBondContact OD1-CB 3.37Å; D124-S126 PolarHBondContact OD1-N 2.98Å; D124-S126 PolarHBondContact OD1-OG 2.84Å; D124-S126 PolarHBondContact OD2-OG 3.07Å; D124-G127 PolarHBondContact O-N 2.8Å; D124-G127 PolarHBondContact OD1-N 3.5Å; D124-A128 PolarHBondContact N-O 3.27Å; D124-A128 PolarHBondContact OD1-N 3.17Å; D124-V130 HydrophobicContact CB-CG1 3.78Å
125	S	91.8	Very high	94.8	Very high	31 Å²	31	54.2 Å²	54.2	22%	0.217	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	4.9	178.3	50.7	0	0	0	0	116	R10 C101 K151	R10-S125 WeakPolarHBondContact CD-O 3.08Å; R10-S125 PolarHBondContact NE-O 3.49Å; C101-S125 VanDerWaalsContact O-CA 3.26Å; C101-S125 WeakPolarHBondContact O-CA 3.18Å; C101-S125 VanDerWaalsContact O-CB 3.29Å; C101-S125 WeakPolarHBondContact O-CB 3.42Å; S125-K151 PolarHBondContact OG-NZ 3.28Å
126	S	90.5	Very high	94.6	Very high	37 Å²	37	61.7 Å²	61.7	26%	0.259	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-19.8	163	77.7	0	0	0	0	112.6	R10 D124 A128	R10-S126 VanDerWaalsContact NH1-CB 3.29Å; D124-S126 VanDerWaalsContact C-N 3.26Å; D124-S126 VanDerWaalsContact CG-OG 3.29Å; D124-S126 PolarHBondContact O-N 3.33Å; D124-S126 WeakPolarHBondContact OD1-CA 3.36Å; D124-S126 WeakPolarHBondContact OD1-CB 3.37Å; D124-S126 PolarHBondContact OD1-N 2.98Å; D124-S126 PolarHBondContact OD1-OG 2.84Å; D124-S126 PolarHBondContact OD2-OG 3.07Å; S126-A128 WeakPolarHBondContact OG-CB 3.41Å; S126-A128 PolarHBondContact OG-N 2.93Å
127	G	91.8	Very high	94.2	Very high	2 Å²	2	55.6 Å²	55.6	2%	0.021	31%	0.305	C	S	.	.	S	Bend	trans	98.3	0	-169.6	0	0	0	0	0	113.1	D124	D124-G127 PolarHBondContact O-N 2.8Å; D124-G127 PolarHBondContact OD1-N 3.5Å
128	A	94.3	Very high	93.8	Very high	40 Å²	40	54 Å²	54	33%	0.331	30%	0.303	S	S	.	.			trans	-77.7	146	179.8	0	0	0	0	0	111.9	L123 D124 S126 V130	L123-A128 WeakPolarHBondContact CA-O 3.44Å; D124-A128 PolarHBondContact N-O 3.27Å; D124-A128 PolarHBondContact OD1-N 3.17Å; S126-A128 WeakPolarHBondContact OG-CB 3.41Å; S126-A128 PolarHBondContact OG-N 2.93Å; A128-V130 PolarHBondContact O-N 3.19Å
129	I	96.8	Very high	93.6	Very high	55 Å²	55	56 Å²	56	28%	0.282	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	119.3	175	-61.3	163.7	0	0	0	109.3	Y121 L123 Q132	Y121-I129 HydrophobicContact CD1-CD1 3.57Å; Y121-I129 HydrophobicContact CD1-CG1 3.98Å; Y121-I129 HydrophobicContact CD1-CG2 4Å; Y121-I129 HydrophobicContact CE1-CD1 3.88Å; Y121-I129 HydrophobicContact CG-CD1 4.46Å; L123-I129 HydrophobicContact CD2-CG1 3.81Å; I129-Q132 HydrophobicContact CG2-CB 4.45Å
130	V	96.8	Very high	93.5	Very high	94 Å²	94	55 Å²	55	57%	0.57	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.6	-16.7	173.9	-71.1	0	0	0	0	113.8	T122 D124 A128	T122-V130 HydrophobicContact CG2-CG2 3.95Å; T122-V130 WeakPolarHBondContact O-CG2 3.35Å; T122-V130 PolarHBondContact O-N 3.28Å; D124-V130 HydrophobicContact CB-CG1 3.78Å; A128-V130 PolarHBondContact O-N 3.19Å
131	S	96.3	Very high	93.6	Very high	54 Å²	54	54 Å²	54	38%	0.378	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	149	162.2	69.1	0	0	0	0	111.9	Y121 T122	Y121-S131 CarbonylContact C-O 3.55Å; Y121-S131 WeakPolarHBondContact CA-O 3.41Å; T122-S131 WeakPolarHBondContact CB-OG 3.43Å; T122-S131 PolarHBondContact N-O 3.31Å; T122-S131 PolarHBondContact O-N 3.04Å; T122-S131 PolarHBondContact OG1-OG 2.91Å
132	Q	96.1	Very high	93.6	Very high	114 Å²	114	54.3 Å²	54.3	53%	0.533	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	136.8	174.2	-177.2	178.6	-17.5	0	0	108.4	T119 Q120 Y121 I129	T119-Q132 HydrophobicContact CG2-CG 3.42Å; T119-Q132 VanDerWaalsContact CG2-CG 3.42Å; Q120-Q132 CarbonylContact O-C 3.59Å; Q120-Q132 WeakPolarHBondContact O-CA 3.38Å; Y121-Q132 HydrophobicContact CD1-CB 4.17Å; Y121-Q132 HydrophobicContact CD1-CG 3.89Å; Y121-Q132 HydrophobicContact CE1-CB 4.33Å; Y121-Q132 VanDerWaalsContact CE1-CD 3.45Å; Y121-Q132 HydrophobicContact CE1-CG 3.65Å; I129-Q132 HydrophobicContact CG2-CB 4.45Å
133	R	96.1	Very high	93.6	Very high	153 Å²	153	53 Å²	53	58%	0.577	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-150.5	150.1	175.3	61.9	-180	177	177	-2.1	112.2	Q120	Q120-R133 HydrophobicContact CB-CG 4.09Å; Q120-R133 PolarHBondContact N-O 2.73Å; Q120-R133 PolarHBondContact O-N 3.46Å; Q120-R133 VanDerWaalsContact OE1-CZ 3.24Å
134	P	94.9	Very high	93.6	Very high	102 Å²	102	53.4 Å²	53.4	66%	0.662	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.5	155.2	169.8	28.4	-35.3	0	0	0	111.3	V117	V117-P134 HydrophobicContact CG1-CB 3.99Å
135	S	93	Very high	93.8	Very high	29 Å²	29	50.7 Å²	50.7	20%	0.203	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	167.8	-175.9	-175.8	0	0	0	0	110.3	V117 S118	V117-S135 WeakPolarHBondContact CG1-O 3.41Å; S118-S135 PolarHBondContact O-N 2.86Å; S118-S135 WeakPolarHBondContact OG-CB 3.34Å; S118-S135 PolarHBondContact OG-O 3.43Å
136	H	87.3	Confident	94.1	Very high	188 Å²	188	50.4 Å²	50.4	87%	0.87	30%	0.297	S	S	*	.			trans	-113.1	42.2	-177.4	-53.7	-60.5	0	0	0	112.8	S118	S118-H136 PolarHBondContact OG-N 3.29Å
137	L	83.5	Confident	94.3	Very high	32 Å²	32	53.5 Å²	53.5	17%	0.168	31%	0.306	C	S	.	.			trans	-75.9	146.5	168	-155.4	76.3	0	0	0	109.8	T109 S118	T109-L137 HydrophobicContact CG2-CB 3.89Å; T109-L137 HydrophobicContact CG2-CD2 4.03Å; T109-L137 HydrophobicContact CG2-CG 4.43Å; S118-L137 WeakPolarHBondContact OG-CB 3.41Å; S118-L137 PolarHBondContact OG-N 3.18Å
138	G	82.9	Confident	94.5	Very high	38 Å²	38	53.4 Å²	53.4	39%	0.392	31%	0.305	S	S	.	.			trans	-72.3	176.9	160.9	0	0	0	0	0	111.5
139	G	91.2	Very high	94.5	Very high	44 Å²	44	51.5 Å²	51.5	45%	0.454	29%	0.29	S	S	.	.	S	Bend	trans	-51	148.5	178.2	0	0	0	0	0	114.3
140	G	96.1	Very high	94.1	Very high	1 Å²	1	51 Å²	51	1%	0.01	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	98.8	-169	-173.9	0	0	0	0	0	113.6	G58 T110 K111	G58-G140 VanDerWaalsContact O-CA 3.24Å; G58-G140 WeakPolarHBondContact O-CA 3.5Å; G58-G140 PolarHBondContact O-N 2.89Å; T110-G140 WeakPolarHBondContact CA-O 3.39Å; K111-G140 PolarHBondContact N-O 2.88Å; K111-G140 PolarHBondContact O-N 3.46Å
141	T	98.1	Very high	93.7	Very high	10 Å²	10	51.8 Å²	51.8	6%	0.061	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	151.4	-174.3	-60	0	0	0	0	111.9	R55 D56 I61 V108 T109 T110 V143	R55-T141 CarbonylContact C-O 3.6Å; R55-T141 WeakPolarHBondContact CA-O 3.29Å; D56-T141 PolarHBondContact N-O 2.87Å; D56-T141 PolarHBondContact OD1-N 3.06Å; I61-T141 HydrophobicContact CD1-CG2 4.37Å; V108-T141 HydrophobicContact CG1-CG2 3.92Å; T109-T141 CarbonylContact O-C 3.57Å; T109-T141 WeakPolarHBondContact O-CA 3.46Å; T110-T141 PolarHBondContact OG1-OG1 2.99Å; T141-V143 HydrophobicContact CG2-CG2 3.94Å
142	S	97.9	Very high	93.4	Very high	8 Å²	8	50.9 Å²	50.9	6%	0.056	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	104.1	175.3	-173.6	0	0	0	0	109	V54 T109	V54-S142 CarbonylContact O-C 3.5Å; V54-S142 WeakPolarHBondContact O-CA 3.13Å; T109-S142 PolarHBondContact N-O 3.48Å; T109-S142 PolarHBondContact O-N 2.9Å
143	V	98.4	Very high	93.1	Very high	15 Å²	15	50 Å²	50	9%	0.091	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	118.2	177.2	-173.2	0	0	0	0	109.3	L28 E53 V54 L97 V106 V108 T141 V145	L28-V143 HydrophobicContact CD1-CB 4.23Å; L28-V143 HydrophobicContact CD1-CG1 4.13Å; L28-V143 HydrophobicContact CD2-CB 3.96Å; L28-V143 HydrophobicContact CD2-CG1 3.84Å; L28-V143 HydrophobicContact CD2-CG2 4.07Å; E53-V143 WeakPolarHBondContact CA-O 3.46Å; V54-V143 PolarHBondContact N-O 2.93Å; V54-V143 PolarHBondContact O-N 3.1Å; L97-V143 HydrophobicContact CD1-CG1 4.01Å; V106-V143 HydrophobicContact CG1-CG1 4.14Å; V108-V143 HydrophobicContact CG1-CG2 4.43Å; V108-V143 HydrophobicContact CG2-CG1 4.3Å; V108-V143 HydrophobicContact CG2-CG2 4.25Å; T141-V143 HydrophobicContact CG2-CG2 3.94Å; V143-V145 HydrophobicContact CG1-CG2 4.1Å
144	S	98.1	Very high	92.8	Very high	17 Å²	17	48.1 Å²	48.1	12%	0.119	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	116.1	175	177.6	0	0	0	0	109.8	R51 T107	R51-S144 PolarHBondContact NE-OG 2.88Å; T107-S144 PolarHBondContact N-O 3.3Å; T107-S144 PolarHBondContact O-N 2.91Å
145	V	98.3	Very high	92.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	112.7	-179.8	-176.5	0	0	0	0	108.5	V24 L28 R51 T52 I100 A104 E105 V143	V24-V145 HydrophobicContact CG1-CB 4.4Å; V24-V145 HydrophobicContact CG1-CG1 4.34Å; V24-V145 HydrophobicContact CG1-CG2 4.03Å; L28-V145 HydrophobicContact CD1-CG2 3.97Å; R51-V145 CarbonylContact C-O 3.59Å; R51-V145 VanDerWaalsContact CA-O 3.31Å; R51-V145 WeakPolarHBondContact CA-O 3.45Å; T52-V145 PolarHBondContact N-O 2.85Å; T52-V145 PolarHBondContact O-N 3.25Å; I100-V145 HydrophobicContact CG2-CB 4.27Å; I100-V145 HydrophobicContact CG2-CG1 3.5Å; I100-V145 HydrophobicContact CG2-CG2 3.69Å; A104-V145 HydrophobicContact CB-CG1 3.45Å; A104-V145 VanDerWaalsContact CB-CG1 3.45Å; E105-V145 CarbonylContact O-C 3.58Å; V143-V145 HydrophobicContact CG1-CG2 4.1Å
146	A	97.6	Very high	92.3	Very high	25 Å²	25	50 Å²	50	21%	0.207	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	154.5	-177.6	0	0	0	0	0	112.7	D50 A104 E105 L148	D50-A146 CarbonylContact O-C 3.49Å; D50-A146 VanDerWaalsContact O-CA 3.28Å; D50-A146 WeakPolarHBondContact O-CA 3.43Å; A104-A146 WeakPolarHBondContact CB-O 3.36Å; E105-A146 HydrophobicContact CB-CB 4.32Å; E105-A146 PolarHBondContact N-O 3.39Å; E105-A146 PolarHBondContact O-N 3.22Å; A146-L148 PolarHBondContact O-N 3.04Å
147	K	95.4	Very high	92.4	Very high	103 Å²	103	47.6 Å²	47.6	45%	0.448	27%	0.272	S	S	.	.	S	Bend	trans	49.5	47.6	178.3	-49.6	-163	-170.6	87.5	0	114	L49 D50 E105 F149 G150	L49-K147 CarbonylContact O-C 3.57Å; L49-K147 WeakPolarHBondContact O-CA 3.09Å; D50-K147 PolarHBondContact O-N 2.69Å; E105-K147 WeakPolarHBondContact OE1-CD 3.23Å; E105-K147 IonicContact OE1-NZ 3.16Å; E105-K147 PolarHBondContact OE1-NZ 2.82Å; E105-K147 IonicContact OE2-NZ 3.37Å; E105-K147 PolarHBondContact OE2-NZ 3.28Å; K147-F149 PolarHBondContact O-N 3.39Å; K147-G150 WeakPolarHBondContact O-CA 3.41Å; K147-G150 PolarHBondContact O-N 2.95Å
148	L	95.4	Very high	92.6	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	132.9	-179.4	-176.4	63.8	0	0	0	111.3	V18 V21 V24 L49 V103 A104 A146 G150	V18-L148 HydrophobicContact CG1-CD1 4.27Å; V21-L148 HydrophobicContact CG2-CD2 3.99Å; V24-L148 HydrophobicContact CG2-CD1 3.97Å; V24-L148 HydrophobicContact CG2-CD2 3.95Å; L49-L148 PolarHBondContact O-N 2.91Å; V103-L148 HydrophobicContact CG2-CD1 3.97Å; A104-L148 HydrophobicContact CB-CD1 4.07Å; A146-L148 PolarHBondContact O-N 3.04Å; L148-G150 PolarHBondContact O-N 2.96Å
149	F	93.7	Very high	92.8	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	61	18.9	-171.8	-47.1	-51.2	0	0	0	114.6	V18 L49 V103 K147 K151 L152 R155 R156 F159	V18-F149 HydrophobicContact CG1-CE1 4.19Å; V18-F149 HydrophobicContact CG1-CZ 4.45Å; V18-F149 WeakPolarHBondContact O-CE1 3.18Å; L49-F149 HydrophobicContact CD2-CD2 4.35Å; V103-F149 HydrophobicContact CB-CD1 4.45Å; V103-F149 WeakPolarHBondContact O-CA 3.27Å; V103-F149 PolarHBondContact O-N 2.93Å; K147-F149 PolarHBondContact O-N 3.39Å; F149-K151 PolarHBondContact O-N 3.37Å; F149-L152 HydrophobicContact CB-CB 4.31Å; F149-L152 HydrophobicContact CD1-CD1 4.37Å; F149-L152 CarbonylContact O-C 3.55Å; F149-L152 PolarHBondContact O-N 3.49Å; F149-R155 HydrophobicContact CB-CB 4.5Å; F149-R155 HydrophobicContact CD1-CG 4.17Å; F149-R155 HydrophobicContact CD2-CG 4.1Å; F149-R155 HydrophobicContact CE1-CG 4.42Å; F149-R155 HydrophobicContact CE2-CG 4.35Å; F149-R155 HydrophobicContact CG-CB 4.44Å; F149-R155 HydrophobicContact CG-CG 4.01Å; F149-R156 HydrophobicContact CB-CB 4.02Å; F149-R156 HydrophobicContact CB-CG 4.47Å; F149-F159 HydrophobicContact CD2-CD2 4.22Å; F149-F159 AromaticContact CD2-CE2 3.82Å; F149-F159 HydrophobicContact CD2-CE2 3.82Å; F149-F159 HydrophobicContact CE2-CD2 4.33Å; F149-F159 AromaticContact CE2-CE2 3.55Å; F149-F159 HydrophobicContact CE2-CE2 3.55Å; F149-F159 HydrophobicContact CE2-CZ 4.19Å
150	G	89.9	Confident	92.4	Very high	43 Å²	43	51.8 Å²	51.8	44%	0.443	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-32.8	176	0	0	0	0	0	113.5	K147 L148	K147-G150 WeakPolarHBondContact O-CA 3.41Å; K147-G150 PolarHBondContact O-N 2.95Å; L148-G150 PolarHBondContact O-N 2.96Å
151	K	87.6	Confident	92.1	Very high	111 Å²	111	54.5 Å²	54.5	48%	0.483	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-2.8	174.6	-58.8	-173.4	-178	-172.9	0	114.3	S125 F149	S125-K151 PolarHBondContact OG-NZ 3.28Å; F149-K151 PolarHBondContact O-N 3.37Å
152	L	90.1	Very high	91.6	Very high	36 Å²	36	57.6 Å²	57.6	19%	0.188	31%	0.313	C	S	.	.			trans	-127.9	70.6	-175.8	-66.9	175.8	0	0	0	109.9	L11 V103 F149 V154 R155 R156	L11-L152 HydrophobicContact CD1-CD1 4.25Å; L11-L152 HydrophobicContact CD1-CD2 4.09Å; L11-L152 HydrophobicContact CD1-CG 4.14Å; L11-L152 HydrophobicContact CD2-CD2 4.02Å; L11-L152 HydrophobicContact CG-CD2 4.08Å; V103-L152 HydrophobicContact CG1-CD1 3.95Å; F149-L152 HydrophobicContact CB-CB 4.31Å; F149-L152 HydrophobicContact CD1-CD1 4.37Å; F149-L152 CarbonylContact O-C 3.55Å; F149-L152 PolarHBondContact O-N 3.49Å; L152-V154 VanDerWaalsContact C-N 3.33Å; L152-V154 PolarHBondContact O-N 3.42Å; L152-R155 HydrophobicContact CB-CB 4.09Å; L152-R155 WeakPolarHBondContact O-CA 3.11Å; L152-R155 PolarHBondContact O-N 2.97Å; L152-R156 PolarHBondContact O-N 3.18Å
153	P	88.6	Confident	91.3	Very high	94 Å²	94	66.8 Å²	66.8	61%	0.61	35%	0.347	S	S	*	.	H	α-helix	trans	-58.2	-39.4	-167.5	21	-33.1	0	0	0	113.5	R155 R156 Q157	P153-R155 VanDerWaalsContact C-N 3.32Å; P153-R155 PolarHBondContact O-N 3.31Å; P153-R156 PolarHBondContact O-N 2.63Å; P153-Q157 VanDerWaalsContact O-CB 3.31Å; P153-Q157 WeakPolarHBondContact O-CB 3.37Å; P153-Q157 PolarHBondContact O-N 2.71Å
154	V	90.1	Very high	90.9	Very high	115 Å²	115	69.8 Å²	69.8	70%	0.697	36%	0.358	S	S	*	.	H	α-helix	trans	-61.7	-39.3	176.2	-176.4	0	0	0	0	111.4	L152 Q157 F158	L152-V154 VanDerWaalsContact C-N 3.33Å; L152-V154 PolarHBondContact O-N 3.42Å; V154-Q157 PolarHBondContact O-N 2.78Å; V154-F158 PolarHBondContact O-N 3.09Å
155	R	89.4	Confident	90.7	Very high	72 Å²	72	71.2 Å²	71.2	27%	0.272	36%	0.361	S	S	.	.	H	α-helix	trans	-72.6	-37.6	175.7	-171.3	172.7	-67.8	-173.4	1.2	111.8	S15 V18 F149 L152 P153 Q157 F158 F159	S15-R155 VanDerWaalsContact O-CZ 3.26Å; S15-R155 PolarHBondContact O-NH1 3.19Å; S15-R155 PolarHBondContact O-NH2 2.85Å; V18-R155 PolarHBondContact O-NH1 3.17Å; F149-R155 HydrophobicContact CB-CB 4.5Å; F149-R155 HydrophobicContact CD1-CG 4.17Å; F149-R155 HydrophobicContact CD2-CG 4.1Å; F149-R155 HydrophobicContact CE1-CG 4.42Å; F149-R155 HydrophobicContact CE2-CG 4.35Å; F149-R155 HydrophobicContact CG-CB 4.44Å; F149-R155 HydrophobicContact CG-CG 4.01Å; L152-R155 HydrophobicContact CB-CB 4.09Å; L152-R155 WeakPolarHBondContact O-CA 3.11Å; L152-R155 PolarHBondContact O-N 2.97Å; P153-R155 VanDerWaalsContact C-N 3.32Å; P153-R155 PolarHBondContact O-N 3.31Å; R155-Q157 VanDerWaalsContact C-N 3.3Å; R155-Q157 PolarHBondContact O-N 3.36Å; R155-F158 VanDerWaalsContact O-CB 3.27Å; R155-F158 WeakPolarHBondContact O-CB 3.35Å; R155-F158 PolarHBondContact O-N 3.04Å; R155-F159 HydrophobicContact CG-CE2 4.3Å; R155-F159 WeakPolarHBondContact O-CD2 3.34Å
156	R	89.6	Confident	90.4	Very high	99 Å²	99	76.6 Å²	76.6	37%	0.374	39%	0.385	S	S	.	.	H	α-helix	trans	-64.1	-37.5	172.2	-156.9	167.7	179	-122.8	-1.1	111.3	D50 F149 L152 P153 F158 F159	D50-R156 IonicContact OD1-CZ 2.83Å; D50-R156 IonicContact OD1-NH2 3.78Å; D50-R156 PolarHBondContact OD1-NH2 2.97Å; F149-R156 HydrophobicContact CB-CB 4.02Å; F149-R156 HydrophobicContact CB-CG 4.47Å; L152-R156 PolarHBondContact O-N 3.18Å; P153-R156 PolarHBondContact O-N 2.63Å; R156-F158 VanDerWaalsContact C-N 3.33Å; R156-F158 PolarHBondContact O-N 3.02Å; R156-F159 PolarHBondContact O-N 3.44Å
157	Q	88.7	Confident	90.2	Very high	136 Å²	136	79.4 Å²	79.4	64%	0.636	39%	0.393	S	S	*	.	H	α-helix	trans	-67.2	-27.9	174.3	-169.3	-177.4	13.1	0	0	113.1	P153 V154 R155 F159 S160	P153-Q157 VanDerWaalsContact O-CB 3.31Å; P153-Q157 WeakPolarHBondContact O-CB 3.37Å; P153-Q157 PolarHBondContact O-N 2.71Å; V154-Q157 PolarHBondContact O-N 2.78Å; R155-Q157 VanDerWaalsContact C-N 3.3Å; R155-Q157 PolarHBondContact O-N 3.36Å; Q157-F159 PolarHBondContact O-N 3.22Å; Q157-F159 VanDerWaalsContact O-N 3.17Å; Q157-S160 WeakPolarHBondContact O-CB 3.36Å; Q157-S160 PolarHBondContact O-N 2.94Å; Q157-S160 PolarHBondContact O-OG 2.91Å
158	F	87.6	Confident	90.2	Very high	116 Å²	116	75 Å²	75	51%	0.509	37%	0.374	S	S	.	.	H	α-helix	trans	-53.9	-35.4	171.3	-179.5	-89	0	0	0	111.6	V154 R155 R156 K164	V154-F158 PolarHBondContact O-N 3.09Å; R155-F158 VanDerWaalsContact O-CB 3.27Å; R155-F158 WeakPolarHBondContact O-CB 3.35Å; R155-F158 PolarHBondContact O-N 3.04Å; R156-F158 VanDerWaalsContact C-N 3.33Å; R156-F158 PolarHBondContact O-N 3.02Å; F158-K164 HydrophobicContact CD1-CD 4.04Å; F158-K164 HydrophobicContact CE1-CD 3.84Å; F158-K164 HydrophobicContact CZ-CD 4.26Å; F158-K164 VanDerWaalsContact CZ-NZ 3.26Å; F158-K164 WeakPolarHBondContact O-CD 3.38Å; F158-K164 PolarHBondContact O-NZ 3.38Å
159	F	88	Confident	90.2	Very high	9 Å²	9	75.7 Å²	75.7	4%	0.039	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	9.2	178.3	-57	-79.4	0	0	0	114.6	L49 F149 R155 R156 Q157 S161 R165 E168	L49-F159 HydrophobicContact CD1-CB 3.74Å; L49-F159 HydrophobicContact CD1-CG 4.44Å; L49-F159 HydrophobicContact CD2-CB 4.47Å; L49-F159 HydrophobicContact CD2-CD2 4.18Å; L49-F159 HydrophobicContact CD2-CG 4.31Å; F149-F159 HydrophobicContact CD2-CD2 4.22Å; F149-F159 AromaticContact CD2-CE2 3.82Å; F149-F159 HydrophobicContact CD2-CE2 3.82Å; F149-F159 HydrophobicContact CE2-CD2 4.33Å; F149-F159 AromaticContact CE2-CE2 3.55Å; F149-F159 HydrophobicContact CE2-CE2 3.55Å; F149-F159 HydrophobicContact CE2-CZ 4.19Å; R155-F159 HydrophobicContact CG-CE2 4.3Å; R155-F159 WeakPolarHBondContact O-CD2 3.34Å; R156-F159 PolarHBondContact O-N 3.44Å; Q157-F159 PolarHBondContact O-N 3.22Å; Q157-F159 VanDerWaalsContact O-N 3.17Å; F159-S161 VanDerWaalsContact C-N 3.28Å; F159-S161 PolarHBondContact O-N 3.18Å; F159-R165 HydrophobicContact CB-CG 4.09Å; F159-R165 WeakPolarHBondContact O-CD 3.44Å; F159-R165 WeakPolarHBondContact O-CG 3.06Å; F159-R165 PolarHBondContact O-NE 2.93Å; F159-E168 HydrophobicContact CD1-CG 4Å; F159-E168 HydrophobicContact CE1-CG 3.65Å
160	S	81.8	Confident	90.2	Very high	78 Å²	78	80.8 Å²	80.8	55%	0.545	40%	0.398	S	S	.	.			trans	-49.5	-47.6	174.4	51.8	0	0	0	0	112.5	Q157 V162 R165	Q157-S160 WeakPolarHBondContact O-CB 3.36Å; Q157-S160 PolarHBondContact O-N 2.94Å; Q157-S160 PolarHBondContact O-OG 2.91Å; S160-V162 PolarHBondContact O-N 2.82Å; S160-R165 PolarHBondContact O-NH2 2.85Å
161	S	90	Very high	90.5	Very high	57 Å²	57	82.8 Å²	82.8	40%	0.399	39%	0.394	S	S	.	.	S	Bend	trans	-63.3	124.5	177.5	-179.2	0	0	0	0	112.8	F159 R163 K164 R165	F159-S161 VanDerWaalsContact C-N 3.28Å; F159-S161 PolarHBondContact O-N 3.18Å; S161-R163 PolarHBondContact O-N 2.9Å; S161-R163 VanDerWaalsContact O-N 3.17Å; S161-R163 PolarHBondContact OG-N 2.91Å; S161-K164 PolarHBondContact O-N 3.41Å; S161-K164 VanDerWaalsContact O-N 3.1Å; S161-R165 PolarHBondContact O-N 2.84Å
162	V	88.4	Confident	90.9	Very high	76 Å²	76	77.5 Å²	77.5	46%	0.461	37%	0.371	S	S	.	.	H	α-helix	trans	-58.2	-27.5	175.2	-179.8	0	0	0	0	112.1	S160 K166	S160-V162 PolarHBondContact O-N 2.82Å; V162-K166 HydrophobicContact CG1-CD 4.34Å; V162-K166 WeakPolarHBondContact O-CG 3.38Å; V162-K166 PolarHBondContact O-N 3.06Å; V162-K166 VanDerWaalsContact O-N 3.08Å
163	R	91.4	Very high	91.2	Very high	201 Å²	201	78.3 Å²	78.3	76%	0.758	37%	0.374	S	S	*	.	H	α-helix	trans	-62.3	-50.6	174.4	-178.8	176.8	173.7	179.8	-2.7	110.9	S161 R165 K166 E167	S161-R163 PolarHBondContact O-N 2.9Å; S161-R163 VanDerWaalsContact O-N 3.17Å; S161-R163 PolarHBondContact OG-N 2.91Å; R163-R165 PolarHBondContact O-N 2.95Å; R163-K166 PolarHBondContact O-N 2.88Å; R163-E167 PolarHBondContact O-N 2.79Å
164	K	89.9	Confident	91.5	Very high	77 Å²	77	75.6 Å²	75.6	34%	0.335	35%	0.354	S	S	.	.	H	α-helix	trans	-63	-42.6	178.9	-70.8	178.1	173.1	-171.7	0	111.9	F158 S161 K166 E167 E168	F158-K164 HydrophobicContact CD1-CD 4.04Å; F158-K164 HydrophobicContact CE1-CD 3.84Å; F158-K164 HydrophobicContact CZ-CD 4.26Å; F158-K164 VanDerWaalsContact CZ-NZ 3.26Å; F158-K164 WeakPolarHBondContact O-CD 3.38Å; F158-K164 PolarHBondContact O-NZ 3.38Å; S161-K164 PolarHBondContact O-N 3.41Å; S161-K164 VanDerWaalsContact O-N 3.1Å; K164-K166 VanDerWaalsContact C-N 3.27Å; K164-K166 PolarHBondContact O-N 2.82Å; K164-E167 VanDerWaalsContact O-CB 3.3Å; K164-E167 WeakPolarHBondContact O-CB 3.16Å; K164-E167 PolarHBondContact O-N 2.86Å; K164-E167 VanDerWaalsContact O-N 3.14Å; K164-E168 WeakPolarHBondContact O-CG 3.41Å; K164-E168 PolarHBondContact O-N 2.93Å
165	R	92.4	Very high	91.8	Very high	48 Å²	48	71.2 Å²	71.2	18%	0.181	33%	0.327	C	S	.	.	H	α-helix	trans	-60.8	-32.4	175.6	-86.4	-175.9	-75.6	157.7	-5.3	113.7	N46 F47 L49 F159 S160 S161 R163 V169	N46-R165 PolarHBondContact OD1-NH1 2.78Å; F47-R165 HydrophobicContact CB-CB 3.93Å; F47-R165 HydrophobicContact CB-CG 4.15Å; F47-R165 HydrophobicContact CD1-CB 4.01Å; F47-R165 WeakPolarHBondContact CD1-O 3.39Å; F47-R165 HydrophobicContact CD2-CB 3.85Å; F47-R165 HydrophobicContact CD2-CG 4.21Å; F47-R165 HydrophobicContact CE2-CB 4.36Å; F47-R165 HydrophobicContact CG-CB 3.67Å; F47-R165 HydrophobicContact CG-CG 4.25Å; L49-R165 HydrophobicContact CD1-CG 4.05Å; F159-R165 HydrophobicContact CB-CG 4.09Å; F159-R165 WeakPolarHBondContact O-CD 3.44Å; F159-R165 WeakPolarHBondContact O-CG 3.06Å; F159-R165 PolarHBondContact O-NE 2.93Å; S160-R165 PolarHBondContact O-NH2 2.85Å; S161-R165 PolarHBondContact O-N 2.84Å; R163-R165 PolarHBondContact O-N 2.95Å; R165-V169 PolarHBondContact O-N 2.66Å
166	K	93.3	Very high	92.1	Very high	113 Å²	113	67.8 Å²	67.8	49%	0.491	31%	0.314	S	S	.	.	H	α-helix	trans	-76.4	-34.8	173.1	-74	-173.8	175.4	-160.5	0	113	F47 V162 R163 K164 E168 V169 R170	F47-K166 HydrophobicContact CD1-CG 4.29Å; F47-K166 HydrophobicContact CE1-CG 3.64Å; F47-K166 HydrophobicContact CZ-CG 4.42Å; V162-K166 HydrophobicContact CG1-CD 4.34Å; V162-K166 WeakPolarHBondContact O-CG 3.38Å; V162-K166 PolarHBondContact O-N 3.06Å; V162-K166 VanDerWaalsContact O-N 3.08Å; R163-K166 PolarHBondContact O-N 2.88Å; K164-K166 VanDerWaalsContact C-N 3.27Å; K164-K166 PolarHBondContact O-N 2.82Å; K166-E168 VanDerWaalsContact C-N 3.31Å; K166-E168 PolarHBondContact O-N 2.67Å; K166-V169 PolarHBondContact O-N 2.78Å; K166-R170 PolarHBondContact O-N 2.68Å
167	E	93.8	Very high	92.5	Very high	84 Å²	84	63.8 Å²	63.8	39%	0.393	30%	0.3	S	S	.	.	H	α-helix	trans	-58.7	-43.2	172.4	-159.1	67.8	-158.7	0	0	111.5	R163 K164 V169 R170 K171	R163-E167 PolarHBondContact O-N 2.79Å; K164-E167 VanDerWaalsContact O-CB 3.3Å; K164-E167 WeakPolarHBondContact O-CB 3.16Å; K164-E167 PolarHBondContact O-N 2.86Å; K164-E167 VanDerWaalsContact O-N 3.14Å; E167-V169 PolarHBondContact O-N 2.6Å; E167-R170 PolarHBondContact O-N 2.91Å; E167-K171 WeakPolarHBondContact O-CG 3.41Å; E167-K171 PolarHBondContact O-N 3.19Å
168	E	93.8	Very high	92.8	Very high	9 Å²	9	57.8 Å²	57.8	4%	0.042	27%	0.273	C	S	.	.	H	α-helix	trans	-62.5	-42.1	177.1	-66	-66.3	103.9	0	0	112.6	S20 V21 F159 K164 K166 R170 K171 V172	S20-E168 VanDerWaalsContact CB-OE2 3.28Å; S20-E168 WeakPolarHBondContact CB-OE2 3.33Å; V21-E168 HydrophobicContact CB-CB 4.36Å; V21-E168 PolarHBondContact N-OE2 3.02Å; V21-E168 VanDerWaalsContact N-OE2 3.1Å; F159-E168 HydrophobicContact CD1-CG 4Å; F159-E168 HydrophobicContact CE1-CG 3.65Å; K164-E168 WeakPolarHBondContact O-CG 3.41Å; K164-E168 PolarHBondContact O-N 2.93Å; K166-E168 VanDerWaalsContact C-N 3.31Å; K166-E168 PolarHBondContact O-N 2.67Å; E168-R170 VanDerWaalsContact C-N 3.34Å; E168-R170 PolarHBondContact O-N 2.7Å; E168-K171 PolarHBondContact O-N 3.33Å; E168-K171 IonicContact OE1-NZ 2.71Å; E168-K171 PolarHBondContact OE1-NZ 3.3Å; E168-V172 VanDerWaalsContact O-CG2 3.28Å; E168-V172 WeakPolarHBondContact O-CG2 3.37Å; E168-V172 PolarHBondContact O-N 3.39Å
169	V	95.8	Very high	93.2	Very high	15 Å²	15	52.2 Å²	52.2	9%	0.091	25%	0.249	C	C	.	.	H	α-helix	trans	-66.8	-35.1	175.5	176.8	0	0	0	0	111.6	L44 F47 R165 K166 E167 V172 Q173	L44-V169 HydrophobicContact CD1-CG2 4Å; F47-V169 HydrophobicContact CB-CG2 3.89Å; F47-V169 HydrophobicContact CD1-CG2 3.76Å; F47-V169 HydrophobicContact CG-CG2 4.31Å; R165-V169 PolarHBondContact O-N 2.66Å; K166-V169 PolarHBondContact O-N 2.78Å; E167-V169 PolarHBondContact O-N 2.6Å; V169-V172 PolarHBondContact O-N 3.47Å; V169-Q173 PolarHBondContact O-N 2.79Å
170	R	95.2	Very high	93.6	Very high	107 Å²	107	51.8 Å²	51.8	40%	0.404	25%	0.247	S	C	.	.	H	α-helix	trans	-62.9	-52.9	172.3	-172.6	-169.2	177	163.5	1.6	110.8	K166 E167 E168 V172 Q173 D174 D254	K166-R170 PolarHBondContact O-N 2.68Å; E167-R170 PolarHBondContact O-N 2.91Å; E168-R170 VanDerWaalsContact C-N 3.34Å; E168-R170 PolarHBondContact O-N 2.7Å; R170-V172 PolarHBondContact O-N 2.87Å; R170-Q173 CarbonylContact O-C 3.56Å; R170-Q173 WeakPolarHBondContact O-CA 3.37Å; R170-Q173 VanDerWaalsContact O-CB 3.27Å; R170-Q173 WeakPolarHBondContact O-CB 3.33Å; R170-Q173 PolarHBondContact O-N 3.23Å; R170-D174 IonicContact NE-OD1 3.68Å; R170-D174 IonicContact NE-OD2 3.27Å; R170-D174 PolarHBondContact O-N 2.81Å; R170-D254 IonicContact CZ-OD2 2.82Å; R170-D254 IonicContact NH2-OD2 3.15Å; R170-D254 PolarHBondContact NH2-OD2 2.82Å
171	K	94.4	Very high	94.2	Very high	86 Å²	86	48.1 Å²	48.1	37%	0.374	22%	0.221	S	C	.	.	H	α-helix	trans	-57.7	-35.8	177.8	-67.5	171.9	-172.1	170	0	113	V22 E167 E168 D174 L175	V22-K171 HydrophobicContact CG1-CB 4.22Å; V22-K171 HydrophobicContact CG2-CB 3.45Å; V22-K171 VanDerWaalsContact CG2-CB 3.45Å; V22-K171 HydrophobicContact CG2-CD 3.74Å; V22-K171 HydrophobicContact CG2-CG 4.31Å; E167-K171 WeakPolarHBondContact O-CG 3.41Å; E167-K171 PolarHBondContact O-N 3.19Å; E168-K171 PolarHBondContact O-N 3.33Å; E168-K171 IonicContact OE1-NZ 2.71Å; E168-K171 PolarHBondContact OE1-NZ 3.3Å; K171-D174 PolarHBondContact O-N 2.73Å; K171-L175 VanDerWaalsContact O-CB 3.27Å; K171-L175 WeakPolarHBondContact O-CB 3.42Å; K171-L175 PolarHBondContact O-N 3.11Å
172	V	96.8	Very high	94.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-63	-45.1	171.3	169.4	0	0	0	0	110.6	V21 V22 V25 L44 E168 V169 R170 L175 L176 L190	V21-V172 HydrophobicContact CG1-CG2 4.29Å; V22-V172 HydrophobicContact CB-CG2 4.47Å; V22-V172 HydrophobicContact CG2-CG2 4.13Å; V25-V172 HydrophobicContact CB-CG1 4.47Å; V25-V172 HydrophobicContact CB-CG2 4.37Å; V25-V172 HydrophobicContact CG1-CG1 4.04Å; V25-V172 HydrophobicContact CG2-CG1 4.33Å; V25-V172 HydrophobicContact CG2-CG2 4.16Å; L44-V172 HydrophobicContact CD1-CB 4.5Å; L44-V172 HydrophobicContact CD1-CG1 4.24Å; L44-V172 HydrophobicContact CD1-CG2 4.47Å; E168-V172 VanDerWaalsContact O-CG2 3.28Å; E168-V172 WeakPolarHBondContact O-CG2 3.37Å; E168-V172 PolarHBondContact O-N 3.39Å; V169-V172 PolarHBondContact O-N 3.47Å; R170-V172 PolarHBondContact O-N 2.87Å; V172-L175 PolarHBondContact O-N 3.32Å; V172-L176 HydrophobicContact CG1-CD1 3.65Å; V172-L176 WeakPolarHBondContact O-CD1 3.47Å; V172-L176 PolarHBondContact O-N 3.08Å; V172-L190 HydrophobicContact CG1-CD1 3.77Å; V172-L190 HydrophobicContact CG1-CD2 4.12Å
173	Q	96.7	Very high	94.9	Very high	53 Å²	53	44.7 Å²	44.7	25%	0.248	19%	0.193	C	C	.	.	H	α-helix	trans	-60	-48.5	173.5	-170.4	-172.4	-44.1	0	0	111.8	V169 R170 L175 L176 M177 L190 W198	V169-Q173 PolarHBondContact O-N 2.79Å; R170-Q173 CarbonylContact O-C 3.56Å; R170-Q173 WeakPolarHBondContact O-CA 3.37Å; R170-Q173 VanDerWaalsContact O-CB 3.27Å; R170-Q173 WeakPolarHBondContact O-CB 3.33Å; R170-Q173 PolarHBondContact O-N 3.23Å; Q173-L175 VanDerWaalsContact C-N 3.27Å; Q173-L175 PolarHBondContact O-N 3.06Å; Q173-L176 PolarHBondContact O-N 3.02Å; Q173-L176 VanDerWaalsContact O-N 3.15Å; Q173-M177 HydrophobicContact CG-CG 4.37Å; Q173-M177 HydrophobicContact CG-SD 3.97Å; Q173-M177 WeakPolarHBondContact O-CB 3.36Å; Q173-M177 VanDerWaalsContact O-CG 3.25Å; Q173-M177 WeakPolarHBondContact O-CG 3.44Å; Q173-M177 PolarHBondContact O-N 3.08Å; Q173-L190 HydrophobicContact CB-CD2 3.8Å; Q173-L190 HydrophobicContact CG-CD2 4.3Å; Q173-W198 HydrophobicContact CG-CB 3.97Å; Q173-W198 HydrophobicContact CG-CD2 4.4Å; Q173-W198 HydrophobicContact CG-CG 3.93Å
174	D	94.9	Very high	95.1	Very high	36 Å²	36	35.5 Å²	35.5	19%	0.193	16%	0.16	C	C	.	.	H	α-helix	trans	-59	-39.2	-180	-53.6	-28.9	0	0	0	111.3	R170 K171 M177 A178	R170-D174 IonicContact NE-OD1 3.68Å; R170-D174 IonicContact NE-OD2 3.27Å; R170-D174 PolarHBondContact O-N 2.81Å; K171-D174 PolarHBondContact O-N 2.73Å; D174-M177 PolarHBondContact O-N 3.16Å; D174-A178 PolarHBondContact O-N 3.14Å
175	L	95.4	Very high	95.4	Very high	24 Å²	24	36.5 Å²	36.5	13%	0.126	17%	0.166	C	C	.	.	H	α-helix	trans	-65.3	-46.5	173.7	179.8	70.5	0	0	0	112.6	V22 K26 K171 V172 Q173 M177 A178 F179	V22-L175 HydrophobicContact CG1-CD2 4.06Å; K26-L175 HydrophobicContact CB-CD2 3.74Å; K26-L175 HydrophobicContact CG-CD1 4.4Å; K26-L175 HydrophobicContact CG-CD2 4.3Å; K171-L175 VanDerWaalsContact O-CB 3.27Å; K171-L175 WeakPolarHBondContact O-CB 3.42Å; K171-L175 PolarHBondContact O-N 3.11Å; V172-L175 PolarHBondContact O-N 3.32Å; Q173-L175 VanDerWaalsContact C-N 3.27Å; Q173-L175 PolarHBondContact O-N 3.06Å; L175-M177 VanDerWaalsContact C-N 3.29Å; L175-M177 PolarHBondContact O-N 3.3Å; L175-A178 PolarHBondContact O-N 2.94Å; L175-F179 HydrophobicContact CD1-CD2 4.17Å; L175-F179 HydrophobicContact CD1-CE2 3.78Å; L175-F179 HydrophobicContact CG-CD2 4.21Å; L175-F179 HydrophobicContact CG-CE2 4.15Å; L175-F179 WeakPolarHBondContact O-CD2 3.2Å; L175-F179 PolarHBondContact O-N 2.96Å; L175-F179 VanDerWaalsContact O-N 3.15Å
176	L	97	Very high	95.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-64.3	-34.9	174.7	-88.7	86.8	0	0	0	111.5	V25 M29 V42 V172 Q173 F179 A180 L188 L190 W198	V25-L176 HydrophobicContact CG1-CD1 4.06Å; M29-L176 HydrophobicContact CE-CD1 4.32Å; M29-L176 HydrophobicContact CE-CG 3.8Å; M29-L176 HydrophobicContact SD-CD1 4.37Å; M29-L176 HydrophobicContact SD-CD2 4.49Å; M29-L176 HydrophobicContact SD-CG 4.09Å; V42-L176 HydrophobicContact CB-CD2 4.35Å; V42-L176 HydrophobicContact CG2-CD1 4.31Å; V42-L176 HydrophobicContact CG2-CD2 4.03Å; V172-L176 HydrophobicContact CG1-CD1 3.65Å; V172-L176 WeakPolarHBondContact O-CD1 3.47Å; V172-L176 PolarHBondContact O-N 3.08Å; Q173-L176 PolarHBondContact O-N 3.02Å; Q173-L176 VanDerWaalsContact O-N 3.15Å; L176-F179 PolarHBondContact O-N 3.05Å; L176-A180 VanDerWaalsContact O-CB 3.25Å; L176-A180 WeakPolarHBondContact O-CB 3.38Å; L176-A180 PolarHBondContact O-N 3.39Å; L176-L188 HydrophobicContact CB-CD1 4.03Å; L176-L188 HydrophobicContact CD2-CB 4.29Å; L176-L188 HydrophobicContact CD2-CD1 4.22Å; L176-L188 HydrophobicContact CG-CD1 4.1Å; L176-L188 WeakPolarHBondContact O-CD1 3.09Å; L176-L190 HydrophobicContact CD2-CB 4.16Å; L176-W198 HydrophobicContact CB-CE3 4.32Å; L176-W198 HydrophobicContact CB-CH2 4.35Å; L176-W198 HydrophobicContact CB-CZ3 3.79Å; L176-W198 HydrophobicContact CD2-CE3 4.46Å; L176-W198 HydrophobicContact CD2-CZ3 4.12Å
177	M	96.5	Very high	95.8	Very high	15 Å²	15	32.6 Å²	32.6	7%	0.074	15%	0.148	C	C	.	.	H	α-helix	trans	-63	-45.1	174.7	-72.1	173.3	58.7	0	0	111	Q173 D174 L175 F179 A180 I181 W198 T213 L214 F257	Q173-M177 HydrophobicContact CG-CG 4.37Å; Q173-M177 HydrophobicContact CG-SD 3.97Å; Q173-M177 WeakPolarHBondContact O-CB 3.36Å; Q173-M177 VanDerWaalsContact O-CG 3.25Å; Q173-M177 WeakPolarHBondContact O-CG 3.44Å; Q173-M177 PolarHBondContact O-N 3.08Å; D174-M177 PolarHBondContact O-N 3.16Å; L175-M177 VanDerWaalsContact C-N 3.29Å; L175-M177 PolarHBondContact O-N 3.3Å; M177-F179 PolarHBondContact O-N 3.19Å; M177-A180 PolarHBondContact O-N 3.4Å; M177-I181 WeakPolarHBondContact O-CD1 3.44Å; M177-I181 VanDerWaalsContact O-CG1 3.26Å; M177-I181 WeakPolarHBondContact O-CG1 2.9Å; M177-I181 PolarHBondContact O-N 3.22Å; M177-I181 VanDerWaalsContact O-N 3.15Å; M177-W198 HydrophobicContact CB-CZ2 4.48Å; M177-W198 HydrophobicContact CG-CD2 4.47Å; M177-W198 HydrophobicContact CG-CH2 4.37Å; M177-W198 HydrophobicContact CG-CZ2 3.66Å; M177-T213 HydrophobicContact CB-CG2 3.65Å; M177-T213 HydrophobicContact CE-CG2 3.71Å; M177-T213 HydrophobicContact CG-CG2 3.69Å; M177-T213 HydrophobicContact SD-CG2 4.49Å; M177-L214 HydrophobicContact CE-CD2 3.8Å; M177-F257 HydrophobicContact CB-CE1 4.39Å; M177-F257 HydrophobicContact CB-CZ 4.47Å; M177-F257 HydrophobicContact CE-CZ 4.48Å
178	A	95.8	Very high	96	Very high	9 Å²	9	28.6 Å²	28.6	7%	0.074	13%	0.129	C	C	.	.	H	α-helix	trans	-57.5	-50.3	175.3	0	0	0	0	0	112	D174 L175 A180 I181 I182 F257 F259 P264	D174-A178 PolarHBondContact O-N 3.14Å; L175-A178 PolarHBondContact O-N 2.94Å; A178-A180 PolarHBondContact O-N 2.91Å; A178-I181 PolarHBondContact O-N 3.29Å; A178-I182 WeakPolarHBondContact O-CG2 3.36Å; A178-I182 PolarHBondContact O-N 2.85Å; A178-F257 HydrophobicContact CB-CD1 3.86Å; A178-F257 HydrophobicContact CB-CE1 4.15Å; A178-F259 HydrophobicContact CB-CE1 4.17Å; A178-F259 HydrophobicContact CB-CZ 4.26Å; A178-F259 WeakPolarHBondContact O-CE1 3.16Å; A178-F259 WeakPolarHBondContact O-CZ 3.4Å; A178-P264 HydrophobicContact CB-CB 4.25Å; A178-P264 HydrophobicContact CB-CG 4.33Å
179	F	96.1	Very high	96.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-64.1	-39.2	177.5	-79.3	-64.6	0	0	0	113.2	M29 E30 L33 Y90 L175 L176 M177 I181 K183 L188 P264	M29-F179 HydrophobicContact CE-CB 3.88Å; M29-F179 HydrophobicContact CE-CD2 3.55Å; M29-F179 HydrophobicContact CE-CE2 4.36Å; M29-F179 HydrophobicContact CE-CG 3.96Å; E30-F179 HydrophobicContact CG-CZ 3.89Å; L33-F179 HydrophobicContact CD1-CD1 3.47Å; L33-F179 VanDerWaalsContact CD1-CD1 3.47Å; L33-F179 HydrophobicContact CD1-CE1 3.47Å; L33-F179 VanDerWaalsContact CD1-CE1 3.47Å; L33-F179 HydrophobicContact CD1-CG 4.22Å; L33-F179 HydrophobicContact CD1-CZ 4.2Å; Y90-F179 HydrophobicContact CD1-CE1 4.36Å; Y90-F179 AromaticContact CE1-CE1 3.83Å; Y90-F179 HydrophobicContact CE1-CE1 3.83Å; L175-F179 HydrophobicContact CD1-CD2 4.17Å; L175-F179 HydrophobicContact CD1-CE2 3.78Å; L175-F179 HydrophobicContact CG-CD2 4.21Å; L175-F179 HydrophobicContact CG-CE2 4.15Å; L175-F179 WeakPolarHBondContact O-CD2 3.2Å; L175-F179 PolarHBondContact O-N 2.96Å; L175-F179 VanDerWaalsContact O-N 3.15Å; L176-F179 PolarHBondContact O-N 3.05Å; M177-F179 PolarHBondContact O-N 3.19Å; F179-I181 VanDerWaalsContact C-N 3.27Å; F179-I181 PolarHBondContact O-N 3.06Å; F179-K183 WeakPolarHBondContact O-CB 3.34Å; F179-K183 PolarHBondContact O-N 2.84Å; F179-L188 HydrophobicContact CB-CD1 4.25Å; F179-P264 HydrophobicContact CD1-CG 4.27Å; F179-P264 HydrophobicContact CE1-CG 3.93Å; F179-P264 HydrophobicContact CE2-CG 4.27Å; F179-P264 HydrophobicContact CZ-CG 3.93Å
180	A	96.1	Very high	96.4	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62	-31.6	177.4	0	0	0	0	0	114.1	L176 M177 A178 L188 W198 K200	L176-A180 VanDerWaalsContact O-CB 3.25Å; L176-A180 WeakPolarHBondContact O-CB 3.38Å; L176-A180 PolarHBondContact O-N 3.39Å; M177-A180 PolarHBondContact O-N 3.4Å; A178-A180 PolarHBondContact O-N 2.91Å; A180-L188 HydrophobicContact CB-CD1 3.97Å; A180-W198 HydrophobicContact CB-CH2 3.65Å; A180-W198 HydrophobicContact CB-CZ2 4.23Å; A180-K200 HydrophobicContact CB-CB 4.17Å; A180-K200 HydrophobicContact CB-CD 3.62Å; A180-K200 HydrophobicContact CB-CG 3.92Å; A180-K200 WeakPolarHBondContact O-CE 3.34Å; A180-K200 PolarHBondContact O-NZ 3.48Å
181	I	95.4	Very high	96.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-81	-47.7	179.8	-56.3	157.9	0	0	0	110.6	M177 A178 F179 K183 H206 L210 T213 F257 L295	M177-I181 WeakPolarHBondContact O-CD1 3.44Å; M177-I181 VanDerWaalsContact O-CG1 3.26Å; M177-I181 WeakPolarHBondContact O-CG1 2.9Å; M177-I181 PolarHBondContact O-N 3.22Å; M177-I181 VanDerWaalsContact O-N 3.15Å; A178-I181 PolarHBondContact O-N 3.29Å; F179-I181 VanDerWaalsContact C-N 3.27Å; F179-I181 PolarHBondContact O-N 3.06Å; I181-K183 VanDerWaalsContact C-N 3.26Å; I181-K183 PolarHBondContact O-N 2.83Å; I181-H206 PolarHBondContact O-CD2 2.81Å; I181-L210 HydrophobicContact CD1-CD2 4Å; I181-L210 HydrophobicContact CG1-CD2 4.26Å; I181-L210 HydrophobicContact CG2-CD2 3.62Å; I181-L210 HydrophobicContact CG2-CG 3.66Å; I181-T213 HydrophobicContact CD1-CG2 3.77Å; I181-T213 HydrophobicContact CG1-CG2 3.81Å; I181-F257 HydrophobicContact CD1-CD1 4.24Å; I181-F257 HydrophobicContact CD1-CD2 3.8Å; I181-F257 HydrophobicContact CD1-CE1 4.12Å; I181-F257 HydrophobicContact CD1-CE2 3.68Å; I181-F257 HydrophobicContact CD1-CG 4.1Å; I181-F257 HydrophobicContact CD1-CZ 3.85Å; I181-L295 HydrophobicContact CB-CD1 4.22Å; I181-L295 HydrophobicContact CG2-CD1 3.28Å
182	I	95.6	Very high	96.7	Very high	11 Å²	11	20.9 Å²	20.9	6%	0.056	10%	0.101	C	C	.	.	H	α-helix	trans	-71	-20.3	-177.9	-165.5	60.2	0	0	0	113.5	A178 P184 H206 F259 K262 N297	A178-I182 WeakPolarHBondContact O-CG2 3.36Å; A178-I182 PolarHBondContact O-N 2.85Å; I182-P184 WeakPolarHBondContact O-CD 3.35Å; I182-H206 PolarHBondContact O-NE2 3.38Å; I182-F259 HydrophobicContact CB-CD1 3.81Å; I182-F259 HydrophobicContact CB-CD2 4.4Å; I182-F259 HydrophobicContact CB-CE1 3.56Å; I182-F259 HydrophobicContact CB-CE2 4.19Å; I182-F259 HydrophobicContact CB-CG 4.23Å; I182-F259 HydrophobicContact CB-CZ 3.77Å; I182-F259 HydrophobicContact CD1-CB 4.26Å; I182-F259 HydrophobicContact CD1-CD1 4.33Å; I182-F259 HydrophobicContact CD1-CD2 4Å; I182-F259 HydrophobicContact CD1-CE2 4.45Å; I182-F259 HydrophobicContact CD1-CG 3.94Å; I182-F259 HydrophobicContact CG1-CB 4.44Å; I182-F259 HydrophobicContact CG1-CD1 3.82Å; I182-F259 HydrophobicContact CG1-CD2 4.35Å; I182-F259 HydrophobicContact CG1-CE1 4.14Å; I182-F259 HydrophobicContact CG1-CG 3.95Å; I182-F259 HydrophobicContact CG2-CD1 3.94Å; I182-F259 HydrophobicContact CG2-CE1 3.58Å; I182-F259 HydrophobicContact CG2-CZ 4.19Å; I182-K262 HydrophobicContact CD1-CG 4.48Å; I182-K262 HydrophobicContact CG1-CB 4.04Å; I182-K262 HydrophobicContact CG1-CG 4.34Å; I182-N297 HydrophobicContact CD1-CB 4.12Å
183	K	95.7	Very high	96.5	Very high	51 Å²	51	24.8 Å²	24.8	22%	0.222	12%	0.122	C	C	.	.			trans	-117	81.7	172.1	-61.9	-78	179.7	164.5	0	110.7	Y90 F179 I181 E185 L186 K200	Y90-K183 WeakPolarHBondContact OH-CE 3.49Å; F179-K183 WeakPolarHBondContact O-CB 3.34Å; F179-K183 PolarHBondContact O-N 2.84Å; I181-K183 VanDerWaalsContact C-N 3.26Å; I181-K183 PolarHBondContact O-N 2.83Å; K183-E185 VanDerWaalsContact C-N 3.27Å; K183-E185 WeakPolarHBondContact CB-OE1 3.27Å; K183-E185 WeakPolarHBondContact CD-OE1 3.45Å; K183-E185 PolarHBondContact O-N 3.4Å; K183-L186 HydrophobicContact CB-CB 3.75Å; K183-L186 HydrophobicContact CB-CD2 4.15Å; K183-L186 WeakPolarHBondContact O-CB 3.5Å; K183-L186 PolarHBondContact O-N 2.75Å; K183-K200 PolarHBondContact O-NZ 2.71Å
184	P	95.9	Very high	96.3	Very high	8 Å²	8	31.1 Å²	31.1	5%	0.052	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-39.9	179.8	-27.9	36.1	0	0	0	114.1	I182 L186 K200 A203 H206 A209	I182-P184 WeakPolarHBondContact O-CD 3.35Å; P184-L186 VanDerWaalsContact C-N 3.27Å; P184-L186 PolarHBondContact O-N 2.88Å; P184-K200 VanDerWaalsContact C-NZ 3.34Å; P184-K200 PolarHBondContact O-NZ 3.06Å; P184-A203 CarbonylContact C-O 3.53Å; P184-A203 HydrophobicContact CB-CB 4.35Å; P184-A203 WeakPolarHBondContact CB-O 3.38Å; P184-A203 PolarHBondContact O-N 3.16Å; P184-A203 VanDerWaalsContact O-O 3.08Å; P184-H206 HydrophobicContact CG-CB 4.36Å; P184-A209 HydrophobicContact CB-CB 4.21Å; P184-A209 HydrophobicContact CG-CB 4.37Å
185	E	96.3	Very high	96.3	Very high	98 Å²	98	34.1 Å²	34.1	46%	0.458	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-19.9	-179.2	70.7	-69	164.1	0	0	114.5	K183 R202	K183-E185 VanDerWaalsContact C-N 3.27Å; K183-E185 WeakPolarHBondContact CB-OE1 3.27Å; K183-E185 WeakPolarHBondContact CD-OE1 3.45Å; K183-E185 PolarHBondContact O-N 3.4Å; E185-R202 WeakPolarHBondContact O-CD 3.13Å; E185-R202 WeakPolarHBondContact O-CG 3.32Å; E185-R202 PolarHBondContact O-NE 2.69Å
186	L	97.2	Very high	96.4	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	18%	0.184	C	C	.	.			trans	-77.2	123	-176.6	-177	65.6	0	0	0	111.8	L33 A37 V40 K183 P184 L188 K200	L33-L186 HydrophobicContact CD2-CD1 4.22Å; L33-L186 HydrophobicContact CD2-CD2 3.75Å; A37-L186 WeakPolarHBondContact O-CD1 3.41Å; V40-L186 HydrophobicContact CG2-CD1 4.29Å; K183-L186 HydrophobicContact CB-CB 3.75Å; K183-L186 HydrophobicContact CB-CD2 4.15Å; K183-L186 WeakPolarHBondContact O-CB 3.5Å; K183-L186 PolarHBondContact O-N 2.75Å; P184-L186 VanDerWaalsContact C-N 3.27Å; P184-L186 PolarHBondContact O-N 2.88Å; L186-L188 HydrophobicContact CD1-CD2 4.42Å; L186-L188 HydrophobicContact CD2-CD1 4.11Å; L186-L188 HydrophobicContact CD2-CD2 3.74Å; L186-L188 HydrophobicContact CD2-CG 3.85Å; L186-L188 HydrophobicContact CG-CD2 3.9Å; L186-L188 HydrophobicContact CG-CG 3.96Å; L186-K200 WeakPolarHBondContact O-CD 3.32Å; L186-K200 PolarHBondContact O-NZ 2.7Å
187	R	97.9	Very high	96.3	Very high	77 Å²	77	39.8 Å²	39.8	29%	0.291	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	131.6	162.9	170.6	-177.5	170.5	-90.2	-14.5	109	S38 S39 V40 D41 T189 K200 R202	S38-R187 PolarHBondContact O-N 2.88Å; S39-R187 CarbonylContact C-O 3.54Å; S39-R187 WeakPolarHBondContact CA-O 3.43Å; S39-R187 PolarHBondContact OG-NH1 2.75Å; V40-R187 PolarHBondContact N-O 2.7Å; D41-R187 VanDerWaalsContact CG-NH1 3.28Å; D41-R187 IonicContact OD1-CZ 2.65Å; D41-R187 VanDerWaalsContact OD1-CZ 3.31Å; D41-R187 IonicContact OD1-NH1 3.06Å; D41-R187 PolarHBondContact OD1-NH1 3.44Å; D41-R187 IonicContact OD1-NH2 3.94Å; D41-R187 PolarHBondContact OD1-NH2 3.03Å; D41-R187 IonicContact OD2-CZ 3.95Å; D41-R187 IonicContact OD2-NH1 3.66Å; D41-R187 PolarHBondContact OD2-NH1 3.39Å; D41-R187 IonicContact OD2-NH2 2.78Å; R187-T189 PolarHBondContact NH2-OG1 3.31Å; R187-K200 WeakPolarHBondContact CA-O 3.21Å; R187-R202 HydrophobicContact CB-CG 4.05Å
188	L	98.4	Very high	96.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	148.8	171.3	-72.3	-171.9	0	0	0	112.1	M29 V40 L176 F179 A180 L186 W198 Q199 K200	M29-L188 HydrophobicContact CE-CD1 3.97Å; M29-L188 HydrophobicContact CE-CD2 4.15Å; M29-L188 HydrophobicContact SD-CD2 4.08Å; V40-L188 HydrophobicContact CB-CD2 3.73Å; V40-L188 HydrophobicContact CG2-CD2 4.45Å; V40-L188 WeakPolarHBondContact O-CA 3.48Å; L176-L188 HydrophobicContact CB-CD1 4.03Å; L176-L188 HydrophobicContact CD2-CB 4.29Å; L176-L188 HydrophobicContact CD2-CD1 4.22Å; L176-L188 HydrophobicContact CG-CD1 4.1Å; L176-L188 WeakPolarHBondContact O-CD1 3.09Å; F179-L188 HydrophobicContact CB-CD1 4.25Å; A180-L188 HydrophobicContact CB-CD1 3.97Å; L186-L188 HydrophobicContact CD1-CD2 4.42Å; L186-L188 HydrophobicContact CD2-CD1 4.11Å; L186-L188 HydrophobicContact CD2-CD2 3.74Å; L186-L188 HydrophobicContact CD2-CG 3.85Å; L186-L188 HydrophobicContact CG-CD2 3.9Å; L186-L188 HydrophobicContact CG-CG 3.96Å; L188-W198 HydrophobicContact CB-CH2 4.24Å; L188-W198 HydrophobicContact CB-CZ3 3.8Å; L188-W198 HydrophobicContact CD1-CH2 4.49Å; L188-W198 HydrophobicContact CD1-CZ3 4.42Å; L188-Q199 WeakPolarHBondContact O-CA 3.4Å; L188-K200 PolarHBondContact N-O 3.03Å; L188-K200 PolarHBondContact O-N 3.06Å
189	T	98.4	Very high	96.5	Very high	11 Å²	11	45.9 Å²	45.9	7%	0.067	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	134.6	171.7	-65.4	0	0	0	0	110.4	V40 D41 V42 R187 V196 Q199	V40-T189 PolarHBondContact O-N 3.47Å; V40-T189 VanDerWaalsContact O-N 3.14Å; D41-T189 WeakPolarHBondContact OD1-CB 3.45Å; V42-T189 PolarHBondContact N-O 2.65Å; R187-T189 PolarHBondContact NH2-OG1 3.31Å; T189-V196 HydrophobicContact CG2-CG1 4.09Å; T189-V196 HydrophobicContact CG2-CG2 4.25Å; T189-Q199 HydrophobicContact CG2-CB 4.27Å
190	L	98.6	Very high	96.5	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	118	175.3	178.8	59.6	0	0	0	109.8	V42 L44 V172 Q173 L176 V197 W198	V42-L190 HydrophobicContact CB-CD1 4.13Å; V42-L190 HydrophobicContact CG1-CD1 3.84Å; V42-L190 CarbonylContact O-C 3.58Å; V42-L190 WeakPolarHBondContact O-CA 3.07Å; L44-L190 HydrophobicContact CD1-CD1 4.11Å; L44-L190 HydrophobicContact CG-CD1 4.26Å; V172-L190 HydrophobicContact CG1-CD1 3.77Å; V172-L190 HydrophobicContact CG1-CD2 4.12Å; Q173-L190 HydrophobicContact CB-CD2 3.8Å; Q173-L190 HydrophobicContact CG-CD2 4.3Å; L176-L190 HydrophobicContact CD2-CB 4.16Å; L190-V197 PolarHBondContact O-N 2.82Å; L190-W198 HydrophobicContact CB-CB 4.49Å; L190-W198 HydrophobicContact CB-CE3 4.46Å; L190-W198 PolarHBondContact N-O 2.78Å; L190-W198 PolarHBondContact O-N 3.34Å
191	A	98.2	Very high	96.5	Very high	13 Å²	13	49.6 Å²	49.6	11%	0.107	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	140	172.7	0	0	0	0	0	111.9	V42 K43 L44 V195	V42-A191 PolarHBondContact O-N 2.83Å; K43-A191 CarbonylContact C-O 3.57Å; K43-A191 WeakPolarHBondContact CA-O 3.4Å; K43-A191 HydrophobicContact CG-CB 4.36Å; L44-A191 PolarHBondContact N-O 2.76Å; A191-V195 CarbonylContact C-O 3.57Å; A191-V195 WeakPolarHBondContact CA-O 3.35Å
192	H	97.1	Very high	96.6	Very high	30 Å²	30	56.7 Å²	56.7	14%	0.139	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	127.4	172.6	-180	-126.1	0	0	0	109.3	L44 F47 K194 V195 V197	L44-H192 CarbonylContact O-C 3.54Å; L44-H192 WeakPolarHBondContact O-CA 3.49Å; L44-H192 PolarHBondContact O-CD2 3.15Å; F47-H192 WeakPolarHBondContact CA-NE2 3.35Å; F47-H192 AromaticContact CD1-CE1 3.46Å; F47-H192 VanDerWaalsContact CD1-CE1 3.46Å; F47-H192 WeakPolarHBondContact CD1-CE1 3.41Å; F47-H192 AromaticContact CD1-NE2 3.34Å; F47-H192 VanDerWaalsContact CD1-NE2 3.34Å; F47-H192 WeakPolarHBondContact CD1-NE2 3.44Å; F47-H192 AromaticContact CD2-NE2 3.95Å; F47-H192 AromaticContact CE1-CE1 3.37Å; F47-H192 WeakPolarHBondContact CE1-CE1 3.45Å; F47-H192 AromaticContact CE1-NE2 3.74Å; F47-H192 AromaticContact CG-CE1 3.96Å; F47-H192 AromaticContact CG-NE2 3.44Å; F47-H192 WeakPolarHBondContact CG-NE2 3.32Å; F47-H192 AromaticContact CZ-CE1 3.84Å; F47-H192 PolarHBondContact N-NE2 2.95Å; F47-H192 VanDerWaalsContact N-NE2 3.13Å; H192-K194 PolarHBondContact O-N 2.8Å; H192-V195 PolarHBondContact N-O 3.29Å; H192-V195 PolarHBondContact O-N 3.28Å; H192-V197 HydrophobicContact CB-CG2 3.46Å; H192-V197 VanDerWaalsContact CB-CG2 3.46Å
193	N	94	Very high	96.6	Very high	82 Å²	82	57 Å²	57	44%	0.439	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.6	46	-178.9	-61.7	-18.7	0	0	0	113	L44 N46 V195	L44-N193 PolarHBondContact O-N 2.75Å; N46-N193 PolarHBondContact N-OD1 2.84Å; N193-V195 PolarHBondContact O-N 3.02Å
194	K	92.1	Very high	96.5	Very high	187 Å²	187	58.7 Å²	58.7	81%	0.813	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	1.8	-177.8	-50.3	174.2	-176.4	175.3	0	116.5	H192	H192-K194 PolarHBondContact O-N 2.8Å
195	V	95.6	Very high	96.4	Very high	99 Å²	99	60.6 Å²	60.6	60%	0.6	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.8	131.2	173.2	-177.2	0	0	0	0	109.5	A191 H192 N193 V197	A191-V195 CarbonylContact C-O 3.57Å; A191-V195 WeakPolarHBondContact CA-O 3.35Å; H192-V195 PolarHBondContact N-O 3.29Å; H192-V195 PolarHBondContact O-N 3.28Å; N193-V195 PolarHBondContact O-N 3.02Å; V195-V197 PolarHBondContact O-N 3.38Å
196	V	96.8	Very high	96.3	Very high	75 Å²	75	59.4 Å²	59.4	46%	0.455	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	120.5	170.8	178.8	0	0	0	0	108.8	T189 Q199	T189-V196 HydrophobicContact CG2-CG1 4.09Å; T189-V196 HydrophobicContact CG2-CG2 4.25Å; V196-Q199 HydrophobicContact CG1-CB 4.14Å; V196-Q199 HydrophobicContact CG1-CG 4.33Å
197	V	95.6	Very high	96.2	Very high	67 Å²	67	65.2 Å²	65.2	41%	0.406	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-41.3	179.5	177.9	0	0	0	0	110.1	L190 H192 V195	L190-V197 PolarHBondContact O-N 2.82Å; H192-V197 HydrophobicContact CB-CG2 3.46Å; H192-V197 VanDerWaalsContact CB-CG2 3.46Å; V195-V197 PolarHBondContact O-N 3.38Å
198	W	97.8	Very high	96.1	Very high	28 Å²	28	69 Å²	69	11%	0.106	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	147.5	-177	177.7	92.5	0	0	0	109.6	Q173 L176 M177 A180 L188 L190 K200 T213	Q173-W198 HydrophobicContact CG-CB 3.97Å; Q173-W198 HydrophobicContact CG-CD2 4.4Å; Q173-W198 HydrophobicContact CG-CG 3.93Å; L176-W198 HydrophobicContact CB-CE3 4.32Å; L176-W198 HydrophobicContact CB-CH2 4.35Å; L176-W198 HydrophobicContact CB-CZ3 3.79Å; L176-W198 HydrophobicContact CD2-CE3 4.46Å; L176-W198 HydrophobicContact CD2-CZ3 4.12Å; M177-W198 HydrophobicContact CB-CZ2 4.48Å; M177-W198 HydrophobicContact CG-CD2 4.47Å; M177-W198 HydrophobicContact CG-CH2 4.37Å; M177-W198 HydrophobicContact CG-CZ2 3.66Å; A180-W198 HydrophobicContact CB-CH2 3.65Å; A180-W198 HydrophobicContact CB-CZ2 4.23Å; L188-W198 HydrophobicContact CB-CH2 4.24Å; L188-W198 HydrophobicContact CB-CZ3 3.8Å; L188-W198 HydrophobicContact CD1-CH2 4.49Å; L188-W198 HydrophobicContact CD1-CZ3 4.42Å; L190-W198 HydrophobicContact CB-CB 4.49Å; L190-W198 HydrophobicContact CB-CE3 4.46Å; L190-W198 PolarHBondContact N-O 2.78Å; L190-W198 PolarHBondContact O-N 3.34Å; W198-K200 HydrophobicContact CH2-CB 3.58Å; W198-K200 HydrophobicContact CZ2-CB 3.8Å; W198-K200 HydrophobicContact CZ3-CB 4.27Å; W198-T213 HydrophobicContact CZ2-CG2 4.23Å
199	Q	97.2	Very high	96	Very high	124 Å²	124	69 Å²	69	58%	0.579	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-153.6	150.7	176.6	63.2	179.1	22.2	0	0	110.8	L188 T189 V196	L188-Q199 WeakPolarHBondContact O-CA 3.4Å; T189-Q199 HydrophobicContact CG2-CB 4.27Å; V196-Q199 HydrophobicContact CG1-CB 4.14Å; V196-Q199 HydrophobicContact CG1-CG 4.33Å
200	K	96.7	Very high	95.8	Very high	4 Å²	4	68.5 Å²	68.5	2%	0.017	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	119.6	174.3	175.2	-99.9	-177.6	166.3	0	109.2	A180 K183 P184 L186 R187 L188 W198 A212	A180-K200 HydrophobicContact CB-CB 4.17Å; A180-K200 HydrophobicContact CB-CD 3.62Å; A180-K200 HydrophobicContact CB-CG 3.92Å; A180-K200 WeakPolarHBondContact O-CE 3.34Å; A180-K200 PolarHBondContact O-NZ 3.48Å; K183-K200 PolarHBondContact O-NZ 2.71Å; P184-K200 VanDerWaalsContact C-NZ 3.34Å; P184-K200 PolarHBondContact O-NZ 3.06Å; L186-K200 WeakPolarHBondContact O-CD 3.32Å; L186-K200 PolarHBondContact O-NZ 2.7Å; R187-K200 WeakPolarHBondContact CA-O 3.21Å; L188-K200 PolarHBondContact N-O 3.03Å; L188-K200 PolarHBondContact O-N 3.06Å; W198-K200 HydrophobicContact CH2-CB 3.58Å; W198-K200 HydrophobicContact CZ2-CB 3.8Å; W198-K200 HydrophobicContact CZ3-CB 4.27Å; K200-A212 HydrophobicContact CG-CB 4.37Å
201	A	96.4	Very high	95.7	Very high	74 Å²	74	71 Å²	71	61%	0.612	37%	0.365	S	S	*	.			trans	-72.3	165.4	171.4	0	0	0	0	0	110.7	A203	A201-A203 PolarHBondContact O-N 2.84Å
202	R	97	Very high	95.5	Very high	149 Å²	149	73 Å²	73	56%	0.562	38%	0.382	S	S	*	.			trans	-59.4	138.2	173.6	-57	-164.5	171.6	155.7	1	110.1	S38 E185 R187	S38-R202 PolarHBondContact O-NE 2.99Å; S38-R202 VanDerWaalsContact O-NE 3.09Å; S38-R202 PolarHBondContact O-NH2 2.93Å; S38-R202 PolarHBondContact OG-NH2 3.21Å; E185-R202 WeakPolarHBondContact O-CD 3.13Å; E185-R202 WeakPolarHBondContact O-CG 3.32Å; E185-R202 PolarHBondContact O-NE 2.69Å; R187-R202 HydrophobicContact CB-CG 4.05Å
203	A	95.8	Very high	95.4	Very high	17 Å²	17	72.3 Å²	72.3	14%	0.14	38%	0.38	C	S	.	.			trans	-121.3	149.2	176.3	0	0	0	0	0	109.4	P184 A201 D205 R208 A209	P184-A203 CarbonylContact C-O 3.53Å; P184-A203 HydrophobicContact CB-CB 4.35Å; P184-A203 WeakPolarHBondContact CB-O 3.38Å; P184-A203 PolarHBondContact O-N 3.16Å; P184-A203 VanDerWaalsContact O-O 3.08Å; A201-A203 PolarHBondContact O-N 2.84Å; A203-D205 VanDerWaalsContact C-N 3.34Å; A203-R208 HydrophobicContact CB-CB 3.96Å; A203-A209 HydrophobicContact CB-CB 4.06Å
204	A	93.6	Very high	95.4	Very high	87 Å²	87	69.7 Å²	69.7	72%	0.719	37%	0.366	S	S	*	.	S	Bend	trans	-78.5	-18.4	-179.3	0	0	0	0	0	113.7
205	D	94.3	Very high	95.4	Very high	48 Å²	48	62.1 Å²	62.1	26%	0.257	34%	0.341	S	S	.	.	S	Bend	trans	-158.1	159.7	-170.7	59.1	81.9	0	0	0	111.2	A203 R207 R208 A209	A203-D205 VanDerWaalsContact C-N 3.34Å; D205-R207 PolarHBondContact O-N 3.28Å; D205-R207 WeakPolarHBondContact OD1-CA 3.5Å; D205-R207 VanDerWaalsContact OD1-CB 3.31Å; D205-R207 WeakPolarHBondContact OD1-CB 3.36Å; D205-R207 PolarHBondContact OD1-N 2.91Å; D205-R207 VanDerWaalsContact OD1-N 3.09Å; D205-R208 PolarHBondContact O-N 3.16Å; D205-R208 PolarHBondContact OD1-N 2.93Å; D205-R208 WeakPolarHBondContact OD2-CD 3.49Å; D205-R208 VanDerWaalsContact OD2-CG 3.3Å; D205-R208 WeakPolarHBondContact OD2-CG 3.09Å; D205-R208 IonicContact OD2-CZ 2.7Å; D205-R208 IonicContact OD2-NE 3.22Å; D205-R208 IonicContact OD2-NH1 2.92Å; D205-R208 PolarHBondContact OD2-NH1 3.19Å; D205-A209 PolarHBondContact O-N 2.86Å
206	H	93.9	Very high	95.3	Very high	74 Å²	74	60.1 Å²	60.1	34%	0.343	34%	0.335	S	S	.	.	H	α-helix	trans	-60.7	-28.9	-179.6	-63.5	77.4	0	0	0	113.5	I181 I182 P184 A209 L210 F237	I181-H206 PolarHBondContact O-CD2 2.81Å; I182-H206 PolarHBondContact O-NE2 3.38Å; P184-H206 HydrophobicContact CG-CB 4.36Å; H206-A209 PolarHBondContact O-N 3.34Å; H206-L210 WeakPolarHBondContact O-CB 3.4Å; H206-L210 WeakPolarHBondContact O-CG 3.35Å; H206-L210 PolarHBondContact O-N 2.68Å; H206-F237 HydrophobicContact CB-CE2 3.91Å
207	R	94.7	Very high	95	Very high	123 Å²	123	59.9 Å²	59.9	46%	0.464	34%	0.336	S	S	.	.	H	α-helix	trans	-70.4	-44.1	178.2	-167.7	178.1	-178.4	-88.5	-4.9	111.2	D205 A209 L210 V211 V219 F237	D205-R207 PolarHBondContact O-N 3.28Å; D205-R207 WeakPolarHBondContact OD1-CA 3.5Å; D205-R207 VanDerWaalsContact OD1-CB 3.31Å; D205-R207 WeakPolarHBondContact OD1-CB 3.36Å; D205-R207 PolarHBondContact OD1-N 2.91Å; D205-R207 VanDerWaalsContact OD1-N 3.09Å; R207-A209 VanDerWaalsContact C-N 3.34Å; R207-L210 PolarHBondContact O-N 3.48Å; R207-V211 WeakPolarHBondContact O-CG2 3.38Å; R207-V211 PolarHBondContact O-N 3.46Å; R207-V219 HydrophobicContact CG-CG1 3.96Å; R207-F237 HydrophobicContact CB-CE1 3.93Å; R207-F237 HydrophobicContact CB-CZ 3.75Å; R207-F237 HydrophobicContact CG-CE1 3.93Å; R207-F237 HydrophobicContact CG-CZ 4.28Å
208	R	95.4	Very high	94.8	Very high	157 Å²	157	57.1 Å²	57.1	59%	0.592	32%	0.32	S	S	*	.	H	α-helix	trans	-65.3	-37.4	171.8	-73.7	-176.7	176.2	118.8	-14.2	111.4	A203 D205 V211 A212	A203-R208 HydrophobicContact CB-CB 3.96Å; D205-R208 PolarHBondContact O-N 3.16Å; D205-R208 PolarHBondContact OD1-N 2.93Å; D205-R208 WeakPolarHBondContact OD2-CD 3.49Å; D205-R208 VanDerWaalsContact OD2-CG 3.3Å; D205-R208 WeakPolarHBondContact OD2-CG 3.09Å; D205-R208 IonicContact OD2-CZ 2.7Å; D205-R208 IonicContact OD2-NE 3.22Å; D205-R208 IonicContact OD2-NH1 2.92Å; D205-R208 PolarHBondContact OD2-NH1 3.19Å; R208-V211 PolarHBondContact O-N 3.36Å; R208-A212 WeakPolarHBondContact O-CB 3.44Å; R208-A212 PolarHBondContact O-N 3.37Å
209	A	96.1	Very high	94.6	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-63.4	-42.2	174	0	0	0	0	0	112	P184 A203 D205 H206 R207 A212 T213	P184-A209 HydrophobicContact CB-CB 4.21Å; P184-A209 HydrophobicContact CG-CB 4.37Å; A203-A209 HydrophobicContact CB-CB 4.06Å; D205-A209 PolarHBondContact O-N 2.86Å; H206-A209 PolarHBondContact O-N 3.34Å; R207-A209 VanDerWaalsContact C-N 3.34Å; A209-A212 PolarHBondContact O-N 2.99Å; A209-T213 VanDerWaalsContact O-CB 3.29Å; A209-T213 WeakPolarHBondContact O-CB 3.34Å; A209-T213 PolarHBondContact O-N 3.31Å; A209-T213 VanDerWaalsContact O-N 3.13Å; A209-T213 PolarHBondContact O-OG1 2.82Å
210	L	95.4	Very high	94.4	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-60.9	-46.8	171.2	-79	167.4	0	0	0	111.8	I181 H206 R207 A212 T213 L214 V219 L222 F237	I181-L210 HydrophobicContact CD1-CD2 4Å; I181-L210 HydrophobicContact CG1-CD2 4.26Å; I181-L210 HydrophobicContact CG2-CD2 3.62Å; I181-L210 HydrophobicContact CG2-CG 3.66Å; H206-L210 WeakPolarHBondContact O-CB 3.4Å; H206-L210 WeakPolarHBondContact O-CG 3.35Å; H206-L210 PolarHBondContact O-N 2.68Å; R207-L210 PolarHBondContact O-N 3.48Å; L210-A212 VanDerWaalsContact C-N 3.33Å; L210-A212 PolarHBondContact O-N 3.24Å; L210-T213 PolarHBondContact O-N 2.93Å; L210-L214 HydrophobicContact CD2-CD1 3.75Å; L210-L214 PolarHBondContact O-N 2.77Å; L210-V219 HydrophobicContact CB-CG1 4.29Å; L210-V219 HydrophobicContact CB-CG2 3.72Å; L210-L222 HydrophobicContact CD1-CD1 4.46Å; L210-F237 HydrophobicContact CD1-CB 3.69Å; L210-F237 HydrophobicContact CD1-CD1 3.99Å; L210-F237 HydrophobicContact CD1-CD2 3.36Å; L210-F237 HydrophobicContact CD1-CE1 4.49Å; L210-F237 HydrophobicContact CD1-CE2 3.96Å; L210-F237 HydrophobicContact CD1-CG 3.39Å; L210-F237 HydrophobicContact CD1-CZ 4.48Å
211	V	95.8	Very high	94.2	Very high	52 Å²	52	55 Å²	55	32%	0.315	32%	0.318	S	S	.	.	H	α-helix	trans	-60.3	-43.4	179.1	169.3	0	0	0	0	111.3	R207 R208 T213 G215 A216 V219	R207-V211 WeakPolarHBondContact O-CG2 3.38Å; R207-V211 PolarHBondContact O-N 3.46Å; R208-V211 PolarHBondContact O-N 3.36Å; V211-T213 PolarHBondContact O-N 2.68Å; V211-G215 VanDerWaalsContact O-CA 3.28Å; V211-G215 WeakPolarHBondContact O-CA 3.44Å; V211-G215 PolarHBondContact O-N 3.33Å; V211-A216 HydrophobicContact CG1-CB 4.2Å; V211-V219 HydrophobicContact CG2-CB 3.79Å; V211-V219 HydrophobicContact CG2-CG1 3.85Å; V211-V219 HydrophobicContact CG2-CG2 4.01Å
212	A	94.8	Very high	94.1	Very high	57 Å²	57	51.8 Å²	51.8	47%	0.471	29%	0.29	S	S	.	.	H	α-helix	trans	-66.8	-21.1	176.4	0	0	0	0	0	113.8	K200 R208 A209 L210	K200-A212 HydrophobicContact CG-CB 4.37Å; R208-A212 WeakPolarHBondContact O-CB 3.44Å; R208-A212 PolarHBondContact O-N 3.37Å; A209-A212 PolarHBondContact O-N 2.99Å; L210-A212 VanDerWaalsContact C-N 3.33Å; L210-A212 PolarHBondContact O-N 3.24Å
213	T	94.8	Very high	94	Very high	15 Å²	15	47.9 Å²	47.9	9%	0.092	28%	0.28	C	S	.	.	H	α-helix	trans	-103	-37.7	-173.1	-55.6	0	0	0	0	113.3	M177 I181 W198 A209 L210 V211	M177-T213 HydrophobicContact CB-CG2 3.65Å; M177-T213 HydrophobicContact CE-CG2 3.71Å; M177-T213 HydrophobicContact CG-CG2 3.69Å; M177-T213 HydrophobicContact SD-CG2 4.49Å; I181-T213 HydrophobicContact CD1-CG2 3.77Å; I181-T213 HydrophobicContact CG1-CG2 3.81Å; W198-T213 HydrophobicContact CZ2-CG2 4.23Å; A209-T213 VanDerWaalsContact O-CB 3.29Å; A209-T213 WeakPolarHBondContact O-CB 3.34Å; A209-T213 PolarHBondContact O-N 3.31Å; A209-T213 VanDerWaalsContact O-N 3.13Å; A209-T213 PolarHBondContact O-OG1 2.82Å; L210-T213 PolarHBondContact O-N 2.93Å; V211-T213 PolarHBondContact O-N 2.68Å
214	L	93	Very high	93.9	Very high	26 Å²	26	51 Å²	51	14%	0.136	30%	0.299	C	S	.	.	H	α-helix	trans	-115	-11.9	-174.4	-58	179.9	0	0	0	114	M177 L210 T218 F257 V293	M177-L214 HydrophobicContact CE-CD2 3.8Å; L210-L214 HydrophobicContact CD2-CD1 3.75Å; L210-L214 PolarHBondContact O-N 2.77Å; L214-T218 HydrophobicContact CB-CG2 4.25Å; L214-T218 HydrophobicContact CD1-CG2 4.4Å; L214-F257 HydrophobicContact CD1-CE2 4.12Å; L214-F257 HydrophobicContact CD2-CE2 3.99Å; L214-F257 HydrophobicContact CD2-CZ 4.3Å; L214-V293 HydrophobicContact CD1-CG1 3.94Å
215	G	93.1	Very high	94	Very high	29 Å²	29	47.8 Å²	47.8	30%	0.299	27%	0.27	S	S	.	.			trans	89.6	152.1	-175.9	0	0	0	0	0	113.6	V211 S217 T218 V219	V211-G215 VanDerWaalsContact O-CA 3.28Å; V211-G215 WeakPolarHBondContact O-CA 3.44Å; V211-G215 PolarHBondContact O-N 3.33Å; G215-S217 PolarHBondContact O-N 2.91Å; G215-T218 PolarHBondContact O-N 3.23Å; G215-V219 PolarHBondContact O-N 2.97Å
216	A	92.6	Very high	94	Very high	57 Å²	57	51 Å²	51	47%	0.471	28%	0.284	S	S	.	.	H	α-helix	trans	-62.7	-40.1	-172.6	0	0	0	0	0	113.8	V211 T218 V219 T220	V211-A216 HydrophobicContact CG1-CB 4.2Å; A216-T218 VanDerWaalsContact C-N 3.31Å; A216-T218 PolarHBondContact O-N 2.74Å; A216-V219 PolarHBondContact O-N 3.31Å; A216-V219 VanDerWaalsContact O-N 3.09Å; A216-T220 PolarHBondContact O-N 3.15Å; A216-T220 PolarHBondContact O-OG1 3.04Å
217	S	91.2	Very high	93.9	Very high	69 Å²	69	49.7 Å²	49.7	48%	0.483	28%	0.277	S	S	.	.	H	α-helix	trans	-63.7	-31.1	-177.5	49.9	0	0	0	0	113.9	G215 T220 N221	G215-S217 PolarHBondContact O-N 2.91Å; S217-T220 PolarHBondContact O-OG1 3.39Å; S217-N221 PolarHBondContact O-ND2 3.47Å
218	T	92.1	Very high	93.8	Very high	9 Å²	9	50.4 Å²	50.4	6%	0.055	29%	0.286	C	S	.	.	H	α-helix	trans	-68.8	-50.1	169.9	-63.7	0	0	0	0	110.1	L214 G215 A216 T220 N221 V293	L214-T218 HydrophobicContact CB-CG2 4.25Å; L214-T218 HydrophobicContact CD1-CG2 4.4Å; G215-T218 PolarHBondContact O-N 3.23Å; A216-T218 VanDerWaalsContact C-N 3.31Å; A216-T218 PolarHBondContact O-N 2.74Å; T218-T220 PolarHBondContact O-N 3.33Å; T218-N221 WeakPolarHBondContact O-CB 3.3Å; T218-N221 PolarHBondContact O-N 3.21Å; T218-V293 HydrophobicContact CG2-CB 4.46Å; T218-V293 HydrophobicContact CG2-CG1 3.58Å
219	V	93.1	Very high	93.5	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.006	28%	0.275	C	S	.	.	H	α-helix	trans	-73.9	-23.3	-171.5	-174.1	0	0	0	0	113.5	R207 L210 V211 G215 A216 N221 L222	R207-V219 HydrophobicContact CG-CG1 3.96Å; L210-V219 HydrophobicContact CB-CG1 4.29Å; L210-V219 HydrophobicContact CB-CG2 3.72Å; V211-V219 HydrophobicContact CG2-CB 3.79Å; V211-V219 HydrophobicContact CG2-CG1 3.85Å; V211-V219 HydrophobicContact CG2-CG2 4.01Å; G215-V219 PolarHBondContact O-N 2.97Å; A216-V219 PolarHBondContact O-N 3.31Å; A216-V219 VanDerWaalsContact O-N 3.09Å; V219-N221 PolarHBondContact O-N 3.29Å; V219-L222 PolarHBondContact O-N 2.91Å
220	T	93.1	Very high	92.9	Very high	75 Å²	75	52.8 Å²	52.8	46%	0.46	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-25.5	168.4	44.9	0	0	0	0	112.9	A216 S217 T218 K240	A216-T220 PolarHBondContact O-N 3.15Å; A216-T220 PolarHBondContact O-OG1 3.04Å; S217-T220 PolarHBondContact O-OG1 3.39Å; T218-T220 PolarHBondContact O-N 3.33Å; T220-K240 PolarHBondContact O-NZ 3.21Å
221	N	92.7	Very high	92.5	Very high	36 Å²	36	58.8 Å²	58.8	19%	0.193	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	3	177.5	-72.5	-70.9	0	0	0	113.7	S217 T218 V219 K240 A243 T248	S217-N221 PolarHBondContact O-ND2 3.47Å; T218-N221 WeakPolarHBondContact O-CB 3.3Å; T218-N221 PolarHBondContact O-N 3.21Å; V219-N221 PolarHBondContact O-N 3.29Å; N221-K240 PolarHBondContact O-N 2.84Å; N221-A243 HydrophobicContact CB-CB 4.18Å; N221-T248 HydrophobicContact CB-CG2 3.53Å
222	L	94.1	Very high	92.4	Very high	6 Å²	6	57 Å²	57	3%	0.031	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	147.8	172.5	-54.1	-178.6	0	0	0	111.4	L210 V219 F237 L238 P239 K240 V293	L210-L222 HydrophobicContact CD1-CD1 4.46Å; V219-L222 PolarHBondContact O-N 2.91Å; L222-F237 HydrophobicContact CB-CB 4.25Å; L222-F237 HydrophobicContact CD1-CB 4.07Å; L222-L238 CarbonylContact C-O 3.52Å; L222-L238 VanDerWaalsContact CA-O 3.24Å; L222-L238 WeakPolarHBondContact CA-O 3.48Å; L222-P239 HydrophobicContact CD2-CG 4.32Å; L222-K240 WeakPolarHBondContact O-CE 3.39Å; L222-V293 WeakPolarHBondContact CD2-O 3.45Å
223	L	94.1	Very high	92.5	Very high	67 Å²	67	56.2 Å²	56.2	35%	0.351	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	131.4	171.5	-167.9	75.6	0	0	0	108.8	F237 L238 K240 L335	L223-F237 VanDerWaalsContact O-CA 3.29Å; L223-F237 WeakPolarHBondContact O-CA 3.42Å; L223-L238 PolarHBondContact N-O 2.79Å; L223-L238 PolarHBondContact O-N 3.23Å; L223-K240 HydrophobicContact CB-CG 3.95Å; L223-L335 HydrophobicContact CD2-CD1 3.58Å
224	P	95.1	Very high	92.6	Very high	83 Å²	83	55.5 Å²	55.5	54%	0.539	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	141.8	168.2	29.7	-33.5	0	0	0	110.1	G236 F237	P224-G236 CarbonylContact C-O 3.47Å; P224-G236 VanDerWaalsContact CA-O 3.31Å; P224-G236 WeakPolarHBondContact CA-O 3.12Å; P224-F237 HydrophobicContact CB-CD1 4.14Å; P224-F237 HydrophobicContact CB-CE1 3.78Å; P224-F237 HydrophobicContact CB-CZ 4.26Å
225	V	94.2	Very high	92.7	Very high	20 Å²	20	56.4 Å²	56.4	12%	0.121	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	147.5	171.3	-58.3	0	0	0	0	110.1	G236 L238 L331	V225-G236 PolarHBondContact N-O 2.93Å; V225-G236 PolarHBondContact O-N 3.39Å; V225-L238 HydrophobicContact CG1-CD1 4.21Å; V225-L238 HydrophobicContact CG2-CD1 3.6Å; V225-L331 HydrophobicContact CB-CD1 4.13Å; V225-L331 HydrophobicContact CG1-CD1 4.32Å; V225-L331 HydrophobicContact CG2-CD1 4.41Å; V225-L331 HydrophobicContact CG2-CD2 4.26Å
226	H	94.6	Very high	92.8	Very high	115 Å²	115	55.2 Å²	55.2	53%	0.532	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	121.4	173.3	-172.4	76.4	0	0	0	107.6	E228 L234 D235	H226-E228 IonicContact CD2-OE1 2.88Å; H226-E228 IonicContact CE1-OE1 3.71Å; H226-E228 IonicContact NE2-OE1 4Å; H226-E228 PolarHBondContact NE2-OE1 3.18Å; H226-L234 WeakPolarHBondContact CA-O 3.45Å; H226-D235 IonicContact CE1-OD1 3.82Å; H226-D235 IonicContact ND1-OD1 2.85Å
227	Q	93.1	Very high	92.9	Very high	46 Å²	46	53.7 Å²	53.7	22%	0.215	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	119.1	177.1	-178.4	173.5	-4.4	0	0	110.4	L234	Q227-L234 HydrophobicContact CB-CB 4.42Å; Q227-L234 PolarHBondContact N-O 2.79Å; Q227-L234 PolarHBondContact O-N 3.31Å
228	E	92.4	Very high	93.1	Very high	139 Å²	139	50.5 Å²	50.5	65%	0.65	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.5	140	173.1	-71.9	164.8	-152.2	0	0	110	H226 V233	H226-E228 IonicContact CD2-OE1 2.88Å; H226-E228 IonicContact CE1-OE1 3.71Å; H226-E228 IonicContact NE2-OE1 4Å; H226-E228 PolarHBondContact NE2-OE1 3.18Å; E228-V233 HydrophobicContact CG-CG1 3.9Å; E228-V233 HydrophobicContact CG-CG2 4.17Å
229	Q	87.8	Confident	93.2	Very high	75 Å²	75	50 Å²	50	35%	0.35	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	158.5	174.1	-69.5	-75	2.2	0	0	108	E231 M232 A327	Q229-E231 PolarHBondContact O-N 2.75Å; Q229-M232 CarbonylContact C-O 3.42Å; Q229-M232 WeakPolarHBondContact CA-O 3.25Å; Q229-M232 HydrophobicContact CB-CG 3.8Å; Q229-M232 WeakPolarHBondContact CB-O 3.25Å; Q229-M232 HydrophobicContact CG-CG 4.36Å; Q229-M232 PolarHBondContact N-O 3.28Å; Q229-M232 PolarHBondContact O-N 2.83Å; Q229-A327 HydrophobicContact CG-CB 4.31Å
230	P	84.5	Confident	93.1	Very high	132 Å²	132	53.8 Å²	53.8	86%	0.857	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-29	-173.5	-28.1	36.2	0	0	0	115.8
231	E	87.5	Confident	92.7	Very high	126 Å²	126	53.3 Å²	53.3	59%	0.589	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.6	-7.4	-178.5	-60	-174.2	163.8	0	0	113.9	Q229 N320	Q229-E231 PolarHBondContact O-N 2.75Å; E231-N320 PolarHBondContact OE2-ND2 3.32Å
232	M	93.6	Very high	92.1	Very high	14 Å²	14	55 Å²	55	7%	0.069	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	158.4	-170.1	69.3	-172.3	79.7	0	0	114.3	Q229 T299 V300 A323 V324 A327	Q229-M232 CarbonylContact C-O 3.42Å; Q229-M232 WeakPolarHBondContact CA-O 3.25Å; Q229-M232 HydrophobicContact CB-CG 3.8Å; Q229-M232 WeakPolarHBondContact CB-O 3.25Å; Q229-M232 HydrophobicContact CG-CG 4.36Å; Q229-M232 PolarHBondContact N-O 3.28Å; Q229-M232 PolarHBondContact O-N 2.83Å; M232-T299 CarbonylContact C-O 3.51Å; M232-T299 WeakPolarHBondContact CA-O 3.37Å; M232-T299 WeakPolarHBondContact CB-O 3.33Å; M232-V300 HydrophobicContact CB-CG1 3.85Å; M232-A323 HydrophobicContact CE-CB 4.23Å; M232-V324 HydrophobicContact CE-CB 4.39Å; M232-V324 HydrophobicContact CE-CG2 3.65Å; M232-V324 HydrophobicContact SD-CB 4.33Å; M232-V324 HydrophobicContact SD-CG2 3.92Å; M232-A327 HydrophobicContact SD-CB 3.71Å
233	V	95.6	Very high	91.5	Very high	40 Å²	40	55.2 Å²	55.2	24%	0.242	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	135.6	171.9	-168.5	0	0	0	0	110.1	E228 D235 T299	E228-V233 HydrophobicContact CG-CG1 3.9Å; E228-V233 HydrophobicContact CG-CG2 4.17Å; V233-D235 WeakPolarHBondContact CG1-OD1 3.46Å; V233-T299 PolarHBondContact N-O 2.86Å; V233-T299 PolarHBondContact O-N 2.88Å
234	L	96.2	Very high	90.8	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	105.3	177.8	-58	-179.1	0	0	0	109.8	H226 Q227 L296 I298 A327 I328 L331	H226-L234 WeakPolarHBondContact CA-O 3.45Å; Q227-L234 HydrophobicContact CB-CB 4.42Å; Q227-L234 PolarHBondContact N-O 2.79Å; Q227-L234 PolarHBondContact O-N 3.31Å; L234-L296 HydrophobicContact CB-CD1 4.42Å; L234-I298 HydrophobicContact CD2-CB 4.24Å; L234-I298 HydrophobicContact CD2-CG1 3.91Å; L234-I298 HydrophobicContact CD2-CG2 3.93Å; L234-A327 HydrophobicContact CD1-CB 4Å; L234-I328 HydrophobicContact CD1-CG1 4.06Å; L234-I328 HydrophobicContact CD2-CG1 4.17Å; L234-L331 HydrophobicContact CB-CD2 4.23Å; L234-L331 HydrophobicContact CD1-CB 4.42Å; L234-L331 HydrophobicContact CD1-CD2 4.05Å
235	D	95.5	Very high	90.2	Very high	45 Å²	45	52.6 Å²	52.6	24%	0.241	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	139.9	178.5	-17.3	-95.2	0	0	0	110	H226 V233 N297	H226-D235 IonicContact CE1-OD1 3.82Å; H226-D235 IonicContact ND1-OD1 2.85Å; V233-D235 WeakPolarHBondContact CG1-OD1 3.46Å; D235-N297 PolarHBondContact N-O 3.01Å; D235-N297 PolarHBondContact O-N 3.03Å; D235-N297 PolarHBondContact OD2-ND2 3.48Å
236	G	95.3	Very high	89.5	Confident	5 Å²	5	55.5 Å²	55.5	5%	0.052	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.3	-163.5	174.2	0	0	0	0	0	119.1	P224 V225 L295	P224-G236 CarbonylContact C-O 3.47Å; P224-G236 VanDerWaalsContact CA-O 3.31Å; P224-G236 WeakPolarHBondContact CA-O 3.12Å; V225-G236 PolarHBondContact N-O 2.93Å; V225-G236 PolarHBondContact O-N 3.39Å; G236-L295 CarbonylContact C-O 3.56Å; G236-L295 VanDerWaalsContact CA-O 3.31Å; G236-L295 WeakPolarHBondContact CA-O 3.21Å
237	F	96.1	Very high	89	Confident	24 Å²	24	52.6 Å²	52.6	11%	0.105	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	106.3	178.5	-70.1	-93.8	0	0	0	109.4	H206 R207 L210 L222 L223 P224 L294 L295	H206-F237 HydrophobicContact CB-CE2 3.91Å; R207-F237 HydrophobicContact CB-CE1 3.93Å; R207-F237 HydrophobicContact CB-CZ 3.75Å; R207-F237 HydrophobicContact CG-CE1 3.93Å; R207-F237 HydrophobicContact CG-CZ 4.28Å; L210-F237 HydrophobicContact CD1-CB 3.69Å; L210-F237 HydrophobicContact CD1-CD1 3.99Å; L210-F237 HydrophobicContact CD1-CD2 3.36Å; L210-F237 HydrophobicContact CD1-CE1 4.49Å; L210-F237 HydrophobicContact CD1-CE2 3.96Å; L210-F237 HydrophobicContact CD1-CG 3.39Å; L210-F237 HydrophobicContact CD1-CZ 4.48Å; L222-F237 HydrophobicContact CB-CB 4.25Å; L222-F237 HydrophobicContact CD1-CB 4.07Å; L223-F237 VanDerWaalsContact O-CA 3.29Å; L223-F237 WeakPolarHBondContact O-CA 3.42Å; P224-F237 HydrophobicContact CB-CD1 4.14Å; P224-F237 HydrophobicContact CB-CE1 3.78Å; P224-F237 HydrophobicContact CB-CZ 4.26Å; F237-L294 CarbonylContact O-C 3.34Å; F237-L294 VanDerWaalsContact O-CA 3.24Å; F237-L294 WeakPolarHBondContact O-CA 3.08Å; F237-L294 VanDerWaalsContact O-CB 3.31Å; F237-L294 WeakPolarHBondContact O-CB 3.39Å; F237-L295 PolarHBondContact N-O 3.44Å; F237-L295 PolarHBondContact O-N 2.93Å
238	L	94.9	Very high	88.6	Confident	2 Å²	2	50.4 Å²	50.4	1%	0.01	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	158	179.4	-79.1	74.5	0	0	0	110.7	L222 L223 V225 L294 L332 L335 Y336	L222-L238 CarbonylContact C-O 3.52Å; L222-L238 VanDerWaalsContact CA-O 3.24Å; L222-L238 WeakPolarHBondContact CA-O 3.48Å; L223-L238 PolarHBondContact N-O 2.79Å; L223-L238 PolarHBondContact O-N 3.23Å; V225-L238 HydrophobicContact CG1-CD1 4.21Å; V225-L238 HydrophobicContact CG2-CD1 3.6Å; L238-L294 HydrophobicContact CG-CB 4.49Å; L238-L294 HydrophobicContact CG-CD2 4.32Å; L238-L332 HydrophobicContact CD2-CD2 3.7Å; L238-L335 HydrophobicContact CB-CD2 3.68Å; L238-L335 HydrophobicContact CD2-CD2 3.75Å; L238-L335 HydrophobicContact CG-CD2 4.34Å; L238-Y336 HydrophobicContact CD2-CE2 4.36Å
239	P	93.4	Very high	88.4	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.3	141.1	168.8	-28.5	35.7	0	0	0	112.6	L222 T248 P292 V293 Y336	L222-P239 HydrophobicContact CD2-CG 4.32Å; P239-T248 HydrophobicContact CB-CG2 4.18Å; P239-P292 HydrophobicContact CG-CB 4.05Å; P239-V293 WeakPolarHBondContact CD-O 3.46Å; P239-Y336 WeakPolarHBondContact CD-OH 3.45Å; P239-Y336 PolarHBondContact O-OH 3.14Å; P239-Y336 VanDerWaalsContact O-OH 3.08Å
240	K	91.4	Very high	88.4	Confident	80 Å²	80	41.5 Å²	41.5	35%	0.348	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-68.6	144.9	168.7	-70.9	168.6	177.3	173.5	0	110	T220 N221 L222 L223 G242 A243	T220-K240 PolarHBondContact O-NZ 3.21Å; N221-K240 PolarHBondContact O-N 2.84Å; L222-K240 WeakPolarHBondContact O-CE 3.39Å; L223-K240 HydrophobicContact CB-CG 3.95Å; K240-G242 PolarHBondContact O-N 2.8Å; K240-A243 HydrophobicContact CB-CB 4.24Å; K240-A243 WeakPolarHBondContact O-CB 3.04Å; K240-A243 PolarHBondContact O-N 2.84Å; K240-A243 VanDerWaalsContact O-N 3.15Å
241	P	85.1	Confident	88.5	Confident	65 Å²	65	39.9 Å²	39.9	42%	0.422	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	133.9	164.7	-24.9	34.8	0	0	0	110.6	A243 L335 Y336	P241-A243 VanDerWaalsContact C-N 3.28Å; P241-A243 PolarHBondContact O-N 2.91Å; P241-L335 HydrophobicContact CG-CD1 4.33Å; P241-L335 WeakPolarHBondContact CG-O 3.34Å; P241-Y336 HydrophobicContact CG-CD1 4.06Å; P241-Y336 HydrophobicContact CG-CE1 4.39Å
242	G	78.9	Confident	88.5	Confident	71 Å²	71	36.8 Å²	36.8	73%	0.732	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.7	14.1	-178.2	0	0	0	0	0	116.2	K240	K240-G242 PolarHBondContact O-N 2.8Å
243	A	82.4	Confident	88.3	Confident	10 Å²	10	38.2 Å²	38.2	8%	0.083	25%	0.245	C	C	.	.			trans	-67.5	160.2	175.8	0	0	0	0	0	113.4	N221 K240 P241 L245 T248 Y282	N221-A243 HydrophobicContact CB-CB 4.18Å; K240-A243 HydrophobicContact CB-CB 4.24Å; K240-A243 WeakPolarHBondContact O-CB 3.04Å; K240-A243 PolarHBondContact O-N 2.84Å; K240-A243 VanDerWaalsContact O-N 3.15Å; P241-A243 VanDerWaalsContact C-N 3.28Å; P241-A243 PolarHBondContact O-N 2.91Å; A243-L245 PolarHBondContact O-N 2.8Å; A243-T248 HydrophobicContact CB-CG2 3.7Å; A243-Y282 PolarHBondContact O-OH 3.31Å; A243-Y282 VanDerWaalsContact O-OH 3.13Å
244	D	80.1	Confident	87.9	Confident	76 Å²	76	37.9 Å²	37.9	41%	0.406	24%	0.242	S	C	.	.			trans	-63.7	105.8	173.5	177.9	-3.4	0	0	0	111.3	S246 L247 T248	D244-S246 PolarHBondContact O-N 3.39Å; D244-S246 VanDerWaalsContact O-N 3.11Å; D244-S246 WeakPolarHBondContact OD1-CA 3.39Å; D244-S246 WeakPolarHBondContact OD1-CB 3.32Å; D244-S246 PolarHBondContact OD1-N 2.94Å; D244-S246 PolarHBondContact OD1-OG 2.86Å; D244-S246 PolarHBondContact OD2-OG 2.87Å; D244-S246 VanDerWaalsContact OD2-OG 3.07Å; D244-L247 HydrophobicContact CB-CB 4.47Å; D244-L247 HydrophobicContact CB-CD1 4.21Å; D244-L247 HydrophobicContact CB-CG 4.35Å; D244-L247 PolarHBondContact O-N 2.88Å; D244-L247 WeakPolarHBondContact OD2-CG 3.09Å; D244-T248 PolarHBondContact O-N 2.81Å; D244-T248 PolarHBondContact O-OG1 2.86Å; D244-T248 VanDerWaalsContact O-OG1 3.06Å
245	L	80.8	Confident	87.7	Confident	19 Å²	19	41 Å²	41	10%	0.099	26%	0.256	C	S	.	.	H	α-helix	trans	-57.2	-24.3	179.4	-171.4	66.4	0	0	0	113.1	A243 L247 S249 H278 Y282 D285 A287	A243-L245 PolarHBondContact O-N 2.8Å; L245-L247 VanDerWaalsContact C-N 3.3Å; L245-S249 VanDerWaalsContact O-CB 3.3Å; L245-S249 WeakPolarHBondContact O-CB 3.44Å; L245-S249 PolarHBondContact O-N 3.31Å; L245-S249 PolarHBondContact O-OG 2.82Å; L245-H278 VanDerWaalsContact CD1-CE1 3.5Å; L245-H278 WeakPolarHBondContact CD1-CE1 3.39Å; L245-Y282 HydrophobicContact CB-CE1 4.34Å; L245-Y282 HydrophobicContact CD1-CD2 3.86Å; L245-Y282 HydrophobicContact CD1-CE2 3.84Å; L245-Y282 HydrophobicContact CD1-CG 4.3Å; L245-Y282 HydrophobicContact CD2-CD1 4.37Å; L245-Y282 HydrophobicContact CD2-CD2 4.48Å; L245-Y282 HydrophobicContact CD2-CG 4.15Å; L245-D285 HydrophobicContact CD2-CB 4.34Å; L245-D285 WeakPolarHBondContact CD2-OD2 3.48Å; L245-A287 HydrophobicContact CD2-CB 3.82Å
246	S	80.8	Confident	87.7	Confident	82 Å²	82	39.5 Å²	39.5	57%	0.573	25%	0.248	S	C	*	.	H	α-helix	trans	-71.6	-24.7	175.3	81.3	0	0	0	0	113.2	D244	D244-S246 PolarHBondContact O-N 3.39Å; D244-S246 VanDerWaalsContact O-N 3.11Å; D244-S246 WeakPolarHBondContact OD1-CA 3.39Å; D244-S246 WeakPolarHBondContact OD1-CB 3.32Å; D244-S246 PolarHBondContact OD1-N 2.94Å; D244-S246 PolarHBondContact OD1-OG 2.86Å; D244-S246 PolarHBondContact OD2-OG 2.87Å; D244-S246 VanDerWaalsContact OD2-OG 3.07Å
247	L	82.9	Confident	87.7	Confident	54 Å²	54	39.9 Å²	39.9	28%	0.283	25%	0.248	S	C	.	.	H	α-helix	trans	-98.6	-31.5	178.3	-61.6	177	0	0	0	112.9	D244 L245	D244-L247 HydrophobicContact CB-CB 4.47Å; D244-L247 HydrophobicContact CB-CD1 4.21Å; D244-L247 HydrophobicContact CB-CG 4.35Å; D244-L247 PolarHBondContact O-N 2.88Å; D244-L247 WeakPolarHBondContact OD2-CG 3.09Å; L245-L247 VanDerWaalsContact C-N 3.3Å
248	T	85.6	Confident	87.7	Confident	0 Å²	0	39 Å²	39	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-98.4	2	-176.7	58.4	0	0	0	0	115	N221 P239 A243 D244 V293	N221-T248 HydrophobicContact CB-CG2 3.53Å; P239-T248 HydrophobicContact CB-CG2 4.18Å; A243-T248 HydrophobicContact CB-CG2 3.7Å; D244-T248 PolarHBondContact O-N 2.81Å; D244-T248 PolarHBondContact O-OG1 2.86Å; D244-T248 VanDerWaalsContact O-OG1 3.06Å; T248-V293 WeakPolarHBondContact O-CB 3.39Å; T248-V293 PolarHBondContact O-N 2.99Å
249	S	87.4	Confident	87.8	Confident	10 Å²	10	38.9 Å²	38.9	7%	0.07	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	158.6	175.7	77.4	0	0	0	0	114.6	L245 R290 F291	L245-S249 VanDerWaalsContact O-CB 3.3Å; L245-S249 WeakPolarHBondContact O-CB 3.44Å; L245-S249 PolarHBondContact O-N 3.31Å; L245-S249 PolarHBondContact O-OG 2.82Å; S249-R290 WeakPolarHBondContact OG-CD 3.37Å; S249-R290 PolarHBondContact OG-NH1 2.83Å; S249-R290 VanDerWaalsContact OG-NH1 3.15Å; S249-F291 CarbonylContact C-O 3.5Å; S249-F291 VanDerWaalsContact CA-O 3.28Å; S249-F291 WeakPolarHBondContact CA-O 3.4Å
250	S	89.1	Confident	87.8	Confident	16 Å²	16	38.9 Å²	38.9	11%	0.112	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	151.6	172	-177.2	0	0	0	0	110.2	T252 D254 R290 F291	S250-T252 WeakPolarHBondContact CB-O 3.29Å; S250-T252 PolarHBondContact O-N 3.47Å; S250-T252 PolarHBondContact OG-N 2.83Å; S250-T252 PolarHBondContact OG-O 3.04Å; S250-T252 VanDerWaalsContact OG-O 3.07Å; S250-T252 PolarHBondContact OG-OG1 3.47Å; S250-D254 PolarHBondContact OG-OD1 2.75Å; S250-R290 CarbonylContact O-C 3.59Å; S250-R290 WeakPolarHBondContact O-CA 3.48Å; S250-R290 WeakPolarHBondContact O-CB 3.5Å; S250-F291 PolarHBondContact N-O 3.07Å; S250-F291 PolarHBondContact O-N 3.35Å
251	S	86.2	Confident	87.9	Confident	99 Å²	99	36.7 Å²	36.7	69%	0.692	24%	0.236	S	C	*	.	S	Bend	trans	-73.4	-11.4	170.5	52.7	0	0	0	0	112.8
252	T	87.4	Confident	88.2	Confident	61 Å²	61	39.1 Å²	39.1	37%	0.374	24%	0.24	S	C	.	.	S	Bend	trans	-125.4	157.8	177.4	38	0	0	0	0	111	S250 D254	S250-T252 WeakPolarHBondContact CB-O 3.29Å; S250-T252 PolarHBondContact O-N 3.47Å; S250-T252 PolarHBondContact OG-N 2.83Å; S250-T252 PolarHBondContact OG-O 3.04Å; S250-T252 VanDerWaalsContact OG-O 3.07Å; S250-T252 PolarHBondContact OG-OG1 3.47Å; T252-D254 WeakPolarHBondContact CB-OD1 3.26Å; T252-D254 PolarHBondContact O-N 3.29Å; T252-D254 VanDerWaalsContact O-N 3.14Å; T252-D254 VanDerWaalsContact O-OD1 3.05Å; T252-D254 VanDerWaalsContact OG1-CG 3.24Å; T252-D254 PolarHBondContact OG1-OD1 3.31Å
253	S	89.1	Confident	88.8	Confident	43 Å²	43	36.6 Å²	36.6	30%	0.301	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-77.1	15.3	175.7	56.5	0	0	0	0	113.6	K255 T256	S253-K255 PolarHBondContact O-N 2.95Å; S253-K255 VanDerWaalsContact O-N 3.16Å; S253-T256 PolarHBondContact O-N 3.28Å; S253-T256 VanDerWaalsContact O-N 3.15Å
254	D	88	Confident	89.3	Confident	34 Å²	34	37.2 Å²	37.2	18%	0.182	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-68.5	-11.1	-175.4	65.3	-48.1	0	0	0	113.9	R170 S250 T252	R170-D254 IonicContact CZ-OD2 2.82Å; R170-D254 IonicContact NH2-OD2 3.15Å; R170-D254 PolarHBondContact NH2-OD2 2.82Å; S250-D254 PolarHBondContact OG-OD1 2.75Å; T252-D254 WeakPolarHBondContact CB-OD1 3.26Å; T252-D254 PolarHBondContact O-N 3.29Å; T252-D254 VanDerWaalsContact O-N 3.14Å; T252-D254 VanDerWaalsContact O-OD1 3.05Å; T252-D254 VanDerWaalsContact OG1-CG 3.24Å; T252-D254 PolarHBondContact OG1-OD1 3.31Å
255	K	92.3	Very high	89.9	Confident	66 Å²	66	34.1 Å²	34.1	29%	0.287	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-120.8	12.1	175.7	-61.2	-176.2	-179.9	-178.9	0	113.3	S253 F257 V293 L294	S253-K255 PolarHBondContact O-N 2.95Å; S253-K255 VanDerWaalsContact O-N 3.16Å; K255-F257 HydrophobicContact CB-CE2 4.41Å; K255-V293 HydrophobicContact CB-CB 4.29Å; K255-V293 HydrophobicContact CB-CG1 4.04Å; K255-V293 HydrophobicContact CB-CG2 3.82Å; K255-V293 HydrophobicContact CD-CG1 4.4Å; K255-V293 HydrophobicContact CD-CG2 3.73Å; K255-V293 HydrophobicContact CG-CG2 4.47Å; K255-V293 WeakPolarHBondContact O-CA 3.31Å; K255-L294 PolarHBondContact O-N 3.27Å; K255-L294 VanDerWaalsContact O-N 3.12Å
256	T	94.8	Very high	90.4	Very high	12 Å²	12	39 Å²	39	7%	0.074	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	82.1	-179	-47.9	0	0	0	0	108.1	S253 I258 L271 L274 F291 P292 L294	S253-T256 PolarHBondContact O-N 3.28Å; S253-T256 VanDerWaalsContact O-N 3.15Å; T256-I258 PolarHBondContact O-N 2.95Å; T256-L271 HydrophobicContact CG2-CD2 3.69Å; T256-L274 HydrophobicContact CG2-CD1 4.47Å; T256-F291 WeakPolarHBondContact OG1-CB 3.46Å; T256-P292 PolarHBondContact OG1-O 3.43Å; T256-L294 HydrophobicContact CG2-CD1 3.83Å; T256-L294 HydrophobicContact CG2-CD2 4.47Å; T256-L294 HydrophobicContact CG2-CG 4.01Å
257	F	95.9	Very high	90.8	Very high	14 Å²	14	36.5 Å²	36.5	6%	0.061	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	108.3	-171	-57.2	-81	0	0	0	110.9	M177 A178 I181 L214 K255 F259 L294 L295 L296	M177-F257 HydrophobicContact CB-CE1 4.39Å; M177-F257 HydrophobicContact CB-CZ 4.47Å; M177-F257 HydrophobicContact CE-CZ 4.48Å; A178-F257 HydrophobicContact CB-CD1 3.86Å; A178-F257 HydrophobicContact CB-CE1 4.15Å; I181-F257 HydrophobicContact CD1-CD1 4.24Å; I181-F257 HydrophobicContact CD1-CD2 3.8Å; I181-F257 HydrophobicContact CD1-CE1 4.12Å; I181-F257 HydrophobicContact CD1-CE2 3.68Å; I181-F257 HydrophobicContact CD1-CG 4.1Å; I181-F257 HydrophobicContact CD1-CZ 3.85Å; L214-F257 HydrophobicContact CD1-CE2 4.12Å; L214-F257 HydrophobicContact CD2-CE2 3.99Å; L214-F257 HydrophobicContact CD2-CZ 4.3Å; K255-F257 HydrophobicContact CB-CE2 4.41Å; F257-F259 HydrophobicContact CB-CE2 3.57Å; F257-F259 HydrophobicContact CB-CZ 3.86Å; F257-L294 WeakPolarHBondContact CD2-O 3.3Å; F257-L294 PolarHBondContact N-O 2.86Å; F257-L295 CarbonylContact O-C 3.59Å; F257-L295 WeakPolarHBondContact O-CA 3.3Å; F257-L296 PolarHBondContact O-N 3.18Å
258	I	95.8	Very high	91.2	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.021	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	130.8	175.5	-54.3	167.4	0	0	0	108.5	T256 V265 I270 L271 L274 L296 I298	T256-I258 PolarHBondContact O-N 2.95Å; I258-V265 HydrophobicContact CB-CG2 4.24Å; I258-V265 HydrophobicContact CG2-CG2 3.79Å; I258-V265 PolarHBondContact O-N 3.39Å; I258-I270 HydrophobicContact CD1-CB 4.3Å; I258-I270 HydrophobicContact CD1-CG2 3.86Å; I258-I270 HydrophobicContact CG2-CG2 4.44Å; I258-L271 HydrophobicContact CD1-CD2 3.62Å; I258-L271 HydrophobicContact CD1-CG 3.68Å; I258-L274 HydrophobicContact CD1-CD1 3.84Å; I258-L274 HydrophobicContact CG1-CD1 4.07Å; I258-L296 CarbonylContact C-O 3.58Å; I258-L296 WeakPolarHBondContact CA-O 3.44Å; I258-I298 HydrophobicContact CG2-CD1 4.25Å
259	F	95.4	Very high	91.6	Very high	1 Å²	1	44.8 Å²	44.8	0%	0.004	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	140.2	175.9	-51.2	-90.2	0	0	0	110.3	A178 I182 F257 R263 P264 L295 L296 N297 I298	A178-F259 HydrophobicContact CB-CE1 4.17Å; A178-F259 HydrophobicContact CB-CZ 4.26Å; A178-F259 WeakPolarHBondContact O-CE1 3.16Å; A178-F259 WeakPolarHBondContact O-CZ 3.4Å; I182-F259 HydrophobicContact CB-CD1 3.81Å; I182-F259 HydrophobicContact CB-CD2 4.4Å; I182-F259 HydrophobicContact CB-CE1 3.56Å; I182-F259 HydrophobicContact CB-CE2 4.19Å; I182-F259 HydrophobicContact CB-CG 4.23Å; I182-F259 HydrophobicContact CB-CZ 3.77Å; I182-F259 HydrophobicContact CD1-CB 4.26Å; I182-F259 HydrophobicContact CD1-CD1 4.33Å; I182-F259 HydrophobicContact CD1-CD2 4Å; I182-F259 HydrophobicContact CD1-CE2 4.45Å; I182-F259 HydrophobicContact CD1-CG 3.94Å; I182-F259 HydrophobicContact CG1-CB 4.44Å; I182-F259 HydrophobicContact CG1-CD1 3.82Å; I182-F259 HydrophobicContact CG1-CD2 4.35Å; I182-F259 HydrophobicContact CG1-CE1 4.14Å; I182-F259 HydrophobicContact CG1-CG 3.95Å; I182-F259 HydrophobicContact CG2-CD1 3.94Å; I182-F259 HydrophobicContact CG2-CE1 3.58Å; I182-F259 HydrophobicContact CG2-CZ 4.19Å; F257-F259 HydrophobicContact CB-CE2 3.57Å; F257-F259 HydrophobicContact CB-CZ 3.86Å; F259-R263 CarbonylContact C-O 3.56Å; F259-R263 WeakPolarHBondContact CA-O 3.49Å; F259-P264 HydrophobicContact CD1-CB 4.12Å; F259-P264 HydrophobicContact CD1-CG 4.08Å; F259-P264 HydrophobicContact CE1-CB 4.04Å; F259-P264 HydrophobicContact CE1-CG 3.93Å; F259-L295 HydrophobicContact CD2-CD1 4.27Å; F259-L295 HydrophobicContact CD2-CG 4.17Å; F259-L295 HydrophobicContact CE2-CD1 3.61Å; F259-L295 HydrophobicContact CE2-CG 3.82Å; F259-L295 HydrophobicContact CZ-CD1 4.47Å; F259-L296 PolarHBondContact N-O 3.44Å; F259-N297 HydrophobicContact CB-CB 4.36Å; F259-I298 PolarHBondContact O-N 2.85Å
260	I	94.3	Very high	91.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	124.7	166.7	-64.9	168.2	0	0	0	107.2	K262 R263 V265 Q267 I298 V300 L305 V316 L318	I260-K262 VanDerWaalsContact C-N 3.25Å; I260-K262 PolarHBondContact O-N 2.73Å; I260-R263 PolarHBondContact N-O 2.94Å; I260-R263 VanDerWaalsContact O-CB 3.27Å; I260-R263 WeakPolarHBondContact O-CB 3.26Å; I260-R263 PolarHBondContact O-N 2.72Å; I260-V265 HydrophobicContact CB-CG1 4.49Å; I260-V265 HydrophobicContact CB-CG2 4.44Å; I260-V265 HydrophobicContact CD1-CG2 3.93Å; I260-V265 HydrophobicContact CG1-CG2 3.91Å; I260-Q267 HydrophobicContact CD1-CG 4.22Å; I260-I298 CarbonylContact C-O 3.59Å; I260-I298 WeakPolarHBondContact CA-O 3.47Å; I260-I298 HydrophobicContact CG1-CB 4.12Å; I260-I298 HydrophobicContact CG1-CD1 4.08Å; I260-V300 HydrophobicContact CG2-CG2 4.02Å; I260-L305 HydrophobicContact CG2-CD1 3.69Å; I260-L305 HydrophobicContact CG2-CD2 3.87Å; I260-L305 HydrophobicContact CG2-CG 4.44Å; I260-V316 HydrophobicContact CD1-CG2 3.59Å; I260-L318 HydrophobicContact CD1-CD1 4.14Å; I260-L318 HydrophobicContact CG2-CD2 4.5Å
261	N	92.8	Very high	92	Very high	34 Å²	34	44.9 Å²	44.9	18%	0.182	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.3	48.6	-172.8	-70	-0.1	0	0	0	112.7	R263 I298 T299 V300 L305	N261-R263 PolarHBondContact O-N 2.7Å; N261-R263 VanDerWaalsContact O-N 3.15Å; N261-I298 PolarHBondContact N-O 3.27Å; N261-T299 WeakPolarHBondContact OD1-CA 3.43Å; N261-V300 PolarHBondContact ND2-O 2.84Å; N261-V300 PolarHBondContact OD1-N 3.45Å; N261-V300 PolarHBondContact OD1-O 3.46Å; N261-L305 HydrophobicContact CB-CD2 4.17Å
262	K	92.5	Very high	92.3	Very high	116 Å²	116	46.3 Å²	46.3	50%	0.504	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	13.4	-178.9	-53.4	158.9	-172.3	161.9	0	115	Y90 I182 I260 N297	Y90-K262 PolarHBondContact OH-O 3.49Å; I182-K262 HydrophobicContact CD1-CG 4.48Å; I182-K262 HydrophobicContact CG1-CB 4.04Å; I182-K262 HydrophobicContact CG1-CG 4.34Å; I260-K262 VanDerWaalsContact C-N 3.25Å; I260-K262 PolarHBondContact O-N 2.73Å; K262-N297 PolarHBondContact N-OD1 2.85Å
263	R	92	Very high	92.6	Very high	18 Å²	18	44.4 Å²	44.4	7%	0.068	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	127	173.6	-53.9	173.5	-172.4	-98.7	-1.9	110.4	L87 E88 T89 Y90 F259 I260 N261 V265	L87-R263 PolarHBondContact O-NH2 3.27Å; E88-R263 PolarHBondContact O-NH2 3.26Å; T89-R263 VanDerWaalsContact O-CZ 3.25Å; T89-R263 PolarHBondContact O-NH1 2.98Å; T89-R263 PolarHBondContact O-NH2 3.09Å; Y90-R263 HydrophobicContact CD1-CG 4.2Å; Y90-R263 HydrophobicContact CE1-CB 4.45Å; Y90-R263 HydrophobicContact CE1-CG 4.04Å; F259-R263 CarbonylContact C-O 3.56Å; F259-R263 WeakPolarHBondContact CA-O 3.49Å; I260-R263 PolarHBondContact N-O 2.94Å; I260-R263 VanDerWaalsContact O-CB 3.27Å; I260-R263 WeakPolarHBondContact O-CB 3.26Å; I260-R263 PolarHBondContact O-N 2.72Å; N261-R263 PolarHBondContact O-N 2.7Å; N261-R263 VanDerWaalsContact O-N 3.15Å; R263-V265 PolarHBondContact O-N 2.93Å
264	P	93.1	Very high	92.7	Very high	23 Å²	23	42.4 Å²	42.4	15%	0.149	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	127.4	175.6	-13.2	25.9	0	0	0	111.2	A178 F179 F259	A178-P264 HydrophobicContact CB-CB 4.25Å; A178-P264 HydrophobicContact CB-CG 4.33Å; F179-P264 HydrophobicContact CD1-CG 4.27Å; F179-P264 HydrophobicContact CE1-CG 3.93Å; F179-P264 HydrophobicContact CE2-CG 4.27Å; F179-P264 HydrophobicContact CZ-CG 3.93Å; F259-P264 HydrophobicContact CD1-CB 4.12Å; F259-P264 HydrophobicContact CD1-CG 4.08Å; F259-P264 HydrophobicContact CE1-CB 4.04Å; F259-P264 HydrophobicContact CE1-CG 3.93Å
265	V	92.5	Very high	92.8	Very high	10 Å²	10	44.1 Å²	44.1	6%	0.061	20%	0.203	C	C	.	.			trans	-131.8	157.5	-175.6	-67.5	0	0	0	0	112.8	I258 I260 R263 Q267 T314 V316	I258-V265 HydrophobicContact CB-CG2 4.24Å; I258-V265 HydrophobicContact CG2-CG2 3.79Å; I258-V265 PolarHBondContact O-N 3.39Å; I260-V265 HydrophobicContact CB-CG1 4.49Å; I260-V265 HydrophobicContact CB-CG2 4.44Å; I260-V265 HydrophobicContact CD1-CG2 3.93Å; I260-V265 HydrophobicContact CG1-CG2 3.91Å; R263-V265 PolarHBondContact O-N 2.93Å; V265-Q267 HydrophobicContact CG2-CG 4.37Å; V265-T314 CarbonylContact C-O 3.55Å; V265-T314 WeakPolarHBondContact CA-O 3.49Å; V265-V316 HydrophobicContact CG1-CG1 4.09Å; V265-V316 HydrophobicContact CG1-CG2 4.26Å
266	Q	89.8	Confident	92.6	Very high	122 Å²	122	44.1 Å²	44.1	57%	0.57	20%	0.204	S	C	*	.			trans	-121.6	67.2	176.1	-65.2	-165.3	-5.1	0	0	111.7	K268 T314	Q266-K268 PolarHBondContact O-N 3.5Å; Q266-T314 PolarHBondContact N-O 2.74Å
267	Q	90.8	Very high	92.3	Very high	29 Å²	29	44.6 Å²	44.6	14%	0.136	21%	0.206	C	C	.	.			trans	-77	115.9	176.7	-68.9	-64.2	1.3	0	0	111.8	I260 V265 D269 I270 L271 V316	I260-Q267 HydrophobicContact CD1-CG 4.22Å; V265-Q267 HydrophobicContact CG2-CG 4.37Å; Q267-D269 VanDerWaalsContact C-N 3.34Å; Q267-D269 PolarHBondContact O-N 3.14Å; Q267-I270 HydrophobicContact CB-CB 4.07Å; Q267-I270 HydrophobicContact CB-CD1 3.85Å; Q267-I270 HydrophobicContact CB-CG1 3.95Å; Q267-I270 HydrophobicContact CG-CD1 4.09Å; Q267-L271 WeakPolarHBondContact O-CB 3.4Å; Q267-L271 VanDerWaalsContact O-CG 3.27Å; Q267-L271 WeakPolarHBondContact O-CG 3.49Å; Q267-L271 PolarHBondContact O-N 3.14Å; Q267-V316 VanDerWaalsContact NE2-CG2 3.26Å; Q267-V316 PolarHBondContact NE2-O 3.33Å
268	K	91.3	Very high	91.8	Very high	157 Å²	157	44 Å²	44	68%	0.683	20%	0.203	S	C	*	.	H	α-helix	trans	-62	-39.6	-176	-66.5	-178.9	-174.3	170.1	0	113	Q266 L271 K272	Q266-K268 PolarHBondContact O-N 3.5Å; K268-L271 CarbonylContact O-C 3.5Å; K268-L271 PolarHBondContact O-N 3.24Å; K268-K272 PolarHBondContact O-N 3.39Å
269	D	92.6	Very high	91.3	Very high	72 Å²	72	44.8 Å²	44.8	39%	0.385	21%	0.209	S	C	.	.	H	α-helix	trans	-74	-42.9	-174.2	-57	-22.8	0	0	0	111	Q267 L271 K272 L273 K321 L325	Q267-D269 VanDerWaalsContact C-N 3.34Å; Q267-D269 PolarHBondContact O-N 3.14Å; D269-L271 VanDerWaalsContact C-N 3.33Å; D269-L271 PolarHBondContact O-N 2.69Å; D269-K272 WeakPolarHBondContact O-CB 3.32Å; D269-K272 PolarHBondContact O-N 3Å; D269-K272 VanDerWaalsContact O-N 3.12Å; D269-L273 WeakPolarHBondContact O-CB 3.28Å; D269-L273 PolarHBondContact O-N 3.25Å; D269-K321 WeakPolarHBondContact OD2-CE 3.38Å; D269-K321 IonicContact OD2-NZ 2.7Å; D269-K321 PolarHBondContact OD2-NZ 2.84Å; D269-L325 HydrophobicContact CB-CD1 4.26Å; D269-L325 HydrophobicContact CB-CD2 4.24Å
270	I	93.9	Very high	90.7	Very high	6 Å²	6	46.7 Å²	46.7	3%	0.031	22%	0.224	C	C	.	.	H	α-helix	trans	-61.2	-42.9	171.4	-55.2	179.3	0	0	0	110.1	I258 Q267 K272 L273 L274 I298 L325 I328	I258-I270 HydrophobicContact CD1-CB 4.3Å; I258-I270 HydrophobicContact CD1-CG2 3.86Å; I258-I270 HydrophobicContact CG2-CG2 4.44Å; Q267-I270 HydrophobicContact CB-CB 4.07Å; Q267-I270 HydrophobicContact CB-CD1 3.85Å; Q267-I270 HydrophobicContact CB-CG1 3.95Å; Q267-I270 HydrophobicContact CG-CD1 4.09Å; I270-K272 VanDerWaalsContact C-N 3.32Å; I270-K272 PolarHBondContact O-N 3.13Å; I270-L273 PolarHBondContact O-N 3.25Å; I270-L274 HydrophobicContact CG2-CD1 3.74Å; I270-L274 HydrophobicContact CG2-CG 4.17Å; I270-L274 WeakPolarHBondContact O-CB 3.42Å; I270-L274 VanDerWaalsContact O-CG 3.23Å; I270-L274 WeakPolarHBondContact O-CG 3.47Å; I270-L274 PolarHBondContact O-N 2.84Å; I270-I298 HydrophobicContact CD1-CD1 3.81Å; I270-L325 HydrophobicContact CG1-CD2 3.84Å; I270-I328 HydrophobicContact CD1-CD1 4.14Å; I270-I328 HydrophobicContact CG1-CD1 4.28Å; I270-I328 HydrophobicContact CG2-CD1 3.98Å
271	L	92.5	Very high	90.1	Very high	21 Å²	21	48.7 Å²	48.7	11%	0.11	23%	0.234	C	C	.	.	H	α-helix	trans	-64	-31.6	174.1	-76	168.1	0	0	0	113.4	T256 I258 Q267 K268 D269 R275	T256-L271 HydrophobicContact CG2-CD2 3.69Å; I258-L271 HydrophobicContact CD1-CD2 3.62Å; I258-L271 HydrophobicContact CD1-CG 3.68Å; Q267-L271 WeakPolarHBondContact O-CB 3.4Å; Q267-L271 VanDerWaalsContact O-CG 3.27Å; Q267-L271 WeakPolarHBondContact O-CG 3.49Å; Q267-L271 PolarHBondContact O-N 3.14Å; K268-L271 CarbonylContact O-C 3.5Å; K268-L271 PolarHBondContact O-N 3.24Å; D269-L271 VanDerWaalsContact C-N 3.33Å; D269-L271 PolarHBondContact O-N 2.69Å; L271-R275 WeakPolarHBondContact O-CB 3.17Å; L271-R275 PolarHBondContact O-N 2.95Å
272	K	91.7	Very high	89.4	Confident	129 Å²	129	49 Å²	49	56%	0.561	23%	0.233	S	C	*	.	H	α-helix	trans	-67.8	-53.6	173	-174.2	-160.2	170.1	-158.4	0	109.7	K268 D269 I270 R275 Q276	K268-K272 PolarHBondContact O-N 3.39Å; D269-K272 WeakPolarHBondContact O-CB 3.32Å; D269-K272 PolarHBondContact O-N 3Å; D269-K272 VanDerWaalsContact O-N 3.12Å; I270-K272 VanDerWaalsContact C-N 3.32Å; I270-K272 PolarHBondContact O-N 3.13Å; K272-R275 PolarHBondContact O-N 3.03Å; K272-Q276 VanDerWaalsContact O-CB 3.31Å; K272-Q276 WeakPolarHBondContact O-CB 3.5Å; K272-Q276 PolarHBondContact O-N 2.62Å
273	L	92.9	Very high	88.2	Confident	21 Å²	21	46 Å²	46	11%	0.11	23%	0.225	C	C	.	.	H	α-helix	trans	-57.7	-51.4	-178.4	-174.5	66.7	0	0	0	111.7	D269 I270 R275 Q276 H277 L325 I328 E329 L332	D269-L273 WeakPolarHBondContact O-CB 3.28Å; D269-L273 PolarHBondContact O-N 3.25Å; I270-L273 PolarHBondContact O-N 3.25Å; L273-R275 VanDerWaalsContact C-N 3.3Å; L273-R275 PolarHBondContact O-N 2.86Å; L273-Q276 WeakPolarHBondContact O-CB 3.31Å; L273-Q276 PolarHBondContact O-N 3.38Å; L273-Q276 VanDerWaalsContact O-N 3.09Å; L273-H277 WeakPolarHBondContact CD1-NE2 3.46Å; L273-H277 PolarHBondContact O-CD2 3.44Å; L273-H277 PolarHBondContact O-N 3.38Å; L273-H277 VanDerWaalsContact O-N 3.12Å; L273-L325 HydrophobicContact CD2-CD2 4.14Å; L273-I328 HydrophobicContact CD2-CB 4.06Å; L273-I328 HydrophobicContact CD2-CG2 3.79Å; L273-E329 HydrophobicContact CD1-CB 4.28Å; L273-E329 HydrophobicContact CD1-CG 4.46Å; L273-E329 HydrophobicContact CD2-CB 4.24Å; L273-L332 HydrophobicContact CD2-CD1 4.4Å; L273-L332 HydrophobicContact CG-CD1 3.95Å
274	L	91.9	Very high	87	Confident	2 Å²	2	52.5 Å²	52.5	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-59	-38.9	177.3	-69.5	170.2	0	0	0	112.7	T256 I258 I270 H278 P292 L294 L296 I328 L332	T256-L274 HydrophobicContact CG2-CD1 4.47Å; I258-L274 HydrophobicContact CD1-CD1 3.84Å; I258-L274 HydrophobicContact CG1-CD1 4.07Å; I270-L274 HydrophobicContact CG2-CD1 3.74Å; I270-L274 HydrophobicContact CG2-CG 4.17Å; I270-L274 WeakPolarHBondContact O-CB 3.42Å; I270-L274 VanDerWaalsContact O-CG 3.23Å; I270-L274 WeakPolarHBondContact O-CG 3.47Å; I270-L274 PolarHBondContact O-N 2.84Å; L274-H278 VanDerWaalsContact O-CB 3.23Å; L274-H278 WeakPolarHBondContact O-CB 3.44Å; L274-H278 PolarHBondContact O-N 3.46Å; L274-P292 HydrophobicContact CB-CG 4.36Å; L274-L294 HydrophobicContact CB-CD2 4.41Å; L274-L294 HydrophobicContact CD1-CD1 4.25Å; L274-L294 HydrophobicContact CD1-CD2 4.14Å; L274-L294 HydrophobicContact CD2-CD2 3.87Å; L274-L294 HydrophobicContact CG-CD2 4.37Å; L274-L296 HydrophobicContact CD1-CD2 4.48Å; L274-L296 HydrophobicContact CD2-CD2 4.4Å; L274-I328 HydrophobicContact CD2-CG2 4.23Å; L274-L332 HydrophobicContact CD2-CD1 4.14Å; L274-L332 HydrophobicContact CD2-CD2 4.1Å
275	R	90	Very high	85.7	Confident	69 Å²	69	54.7 Å²	54.7	26%	0.26	27%	0.272	S	S	.	.	H	α-helix	trans	-68.5	-41.6	175.2	-163.7	-142.5	-54.2	-77.2	-10.8	111.3	L271 K272 L273 H278 S279 H289 R290	L271-R275 WeakPolarHBondContact O-CB 3.17Å; L271-R275 PolarHBondContact O-N 2.95Å; K272-R275 PolarHBondContact O-N 3.03Å; L273-R275 VanDerWaalsContact C-N 3.3Å; L273-R275 PolarHBondContact O-N 2.86Å; R275-H278 PolarHBondContact O-N 2.91Å; R275-S279 WeakPolarHBondContact O-CB 3.38Å; R275-S279 PolarHBondContact O-N 3.29Å; R275-S279 PolarHBondContact O-OG 3.07Å; R275-H289 PolarHBondContact NH1-O 2.7Å; R275-R290 WeakPolarHBondContact CG-O 3.46Å
276	Q	88.8	Confident	84.2	Confident	66 Å²	66	59 Å²	59	31%	0.308	31%	0.308	S	S	.	.	H	α-helix	trans	-62.2	-55.2	-175.2	175.8	160.5	-24.7	0	0	112	K272 L273 H278 S279 A280 E341	K272-Q276 VanDerWaalsContact O-CB 3.31Å; K272-Q276 WeakPolarHBondContact O-CB 3.5Å; K272-Q276 PolarHBondContact O-N 2.62Å; L273-Q276 WeakPolarHBondContact O-CB 3.31Å; L273-Q276 PolarHBondContact O-N 3.38Å; L273-Q276 VanDerWaalsContact O-N 3.09Å; Q276-H278 VanDerWaalsContact C-N 3.32Å; Q276-H278 PolarHBondContact O-N 3.18Å; Q276-S279 PolarHBondContact O-N 2.92Å; Q276-A280 WeakPolarHBondContact O-CB 3.21Å; Q276-A280 PolarHBondContact O-N 3.18Å; Q276-E341 PolarHBondContact NE2-OE1 2.84Å
277	H	88.3	Confident	82.7	Confident	23 Å²	23	53.9 Å²	53.9	11%	0.106	29%	0.287	C	S	.	.	H	α-helix	trans	-64.6	-36.6	178.1	-70.9	-99.8	0	0	0	112.4	L273 A280 L332 Y336	L273-H277 WeakPolarHBondContact CD1-NE2 3.46Å; L273-H277 PolarHBondContact O-CD2 3.44Å; L273-H277 PolarHBondContact O-N 3.38Å; L273-H277 VanDerWaalsContact O-N 3.12Å; H277-A280 PolarHBondContact O-N 2.93Å; H277-L332 HydrophobicContact CB-CB 4Å; H277-L332 HydrophobicContact CB-CD1 4.09Å; H277-L332 HydrophobicContact CB-CD2 4.29Å; H277-L332 HydrophobicContact CB-CG 4.36Å; H277-Y336 HydrophobicContact CB-CD2 4.45Å
278	H	85.8	Confident	81.4	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.009	31%	0.307	C	S	.	.	H	α-helix	trans	-65.9	-47.2	176.9	-179.6	-98.4	0	0	0	112.3	L245 L274 R275 Q276 A280 Q281 Y282 P292	L245-H278 VanDerWaalsContact CD1-CE1 3.5Å; L245-H278 WeakPolarHBondContact CD1-CE1 3.39Å; L274-H278 VanDerWaalsContact O-CB 3.23Å; L274-H278 WeakPolarHBondContact O-CB 3.44Å; L274-H278 PolarHBondContact O-N 3.46Å; R275-H278 PolarHBondContact O-N 2.91Å; Q276-H278 VanDerWaalsContact C-N 3.32Å; Q276-H278 PolarHBondContact O-N 3.18Å; H278-A280 VanDerWaalsContact C-N 3.28Å; H278-A280 PolarHBondContact O-N 3.41Å; H278-Q281 WeakPolarHBondContact O-CB 3.33Å; H278-Q281 PolarHBondContact O-N 2.95Å; H278-Y282 WeakPolarHBondContact O-CD2 3.47Å; H278-P292 HydrophobicContact CB-CB 4.15Å; H278-P292 HydrophobicContact CB-CG 4.18Å
279	S	84.6	Confident	80.5	Confident	20 Å²	20	59.6 Å²	59.6	14%	0.14	31%	0.309	C	S	.	.	H	α-helix	trans	-65.3	-31.1	176.1	-69.5	0	0	0	0	112.6	R275 Q276 Q281 Y282 R288	R275-S279 WeakPolarHBondContact O-CB 3.38Å; R275-S279 PolarHBondContact O-N 3.29Å; R275-S279 PolarHBondContact O-OG 3.07Å; Q276-S279 PolarHBondContact O-N 2.92Å; S279-Q281 PolarHBondContact O-N 2.92Å; S279-Y282 CarbonylContact O-C 3.58Å; S279-Y282 PolarHBondContact O-N 2.93Å; S279-R288 WeakPolarHBondContact CB-O 3.47Å; S279-R288 PolarHBondContact OG-O 3.31Å
280	A	83.8	Confident	80.1	Confident	40 Å²	40	60.4 Å²	60.4	33%	0.331	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-15.3	175.9	0	0	0	0	0	113.9	Q276 H277 H278 R339	Q276-A280 WeakPolarHBondContact O-CB 3.21Å; Q276-A280 PolarHBondContact O-N 3.18Å; H277-A280 PolarHBondContact O-N 2.93Å; H278-A280 VanDerWaalsContact C-N 3.28Å; H278-A280 PolarHBondContact O-N 3.41Å; A280-R339 PolarHBondContact O-NH1 2.98Å
281	Q	80.4	Confident	79.9	Confident	42 Å²	42	61.5 Å²	61.5	20%	0.196	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-25.5	172.1	-65.3	-66.4	-80	0	0	113.3	H278 S279 P283 Y336	H278-Q281 WeakPolarHBondContact O-CB 3.33Å; H278-Q281 PolarHBondContact O-N 2.95Å; S279-Q281 PolarHBondContact O-N 2.92Å; Q281-P283 VanDerWaalsContact C-CD 3.41Å; Q281-P283 VanDerWaalsContact O-CD 3.24Å; Q281-P283 WeakPolarHBondContact O-CD 3.18Å; Q281-Y336 HydrophobicContact CG-CD1 3.72Å; Q281-Y336 HydrophobicContact CG-CE1 4.34Å; Q281-Y336 HydrophobicContact CG-CG 4.08Å; Q281-Y336 PolarHBondContact NE2-O 3.16Å
282	Y	78.6	Confident	79.9	Confident	42 Å²	42	60.6 Å²	60.6	17%	0.165	31%	0.307	C	S	.	.			trans	-121.5	64.3	-173	-52.2	-86.5	0	0	0	111	A243 L245 H278 S279 D284 D285	A243-Y282 PolarHBondContact O-OH 3.31Å; A243-Y282 VanDerWaalsContact O-OH 3.13Å; L245-Y282 HydrophobicContact CB-CE1 4.34Å; L245-Y282 HydrophobicContact CD1-CD2 3.86Å; L245-Y282 HydrophobicContact CD1-CE2 3.84Å; L245-Y282 HydrophobicContact CD1-CG 4.3Å; L245-Y282 HydrophobicContact CD2-CD1 4.37Å; L245-Y282 HydrophobicContact CD2-CD2 4.48Å; L245-Y282 HydrophobicContact CD2-CG 4.15Å; H278-Y282 WeakPolarHBondContact O-CD2 3.47Å; S279-Y282 CarbonylContact O-C 3.58Å; S279-Y282 PolarHBondContact O-N 2.93Å; Y282-D284 VanDerWaalsContact C-N 3.31Å; Y282-D284 PolarHBondContact O-N 3.32Å; Y282-D285 PolarHBondContact O-N 3.38Å
283	P	67.5	Low	80.1	Confident	51 Å²	51	54.5 Å²	54.5	33%	0.331	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-36.7	-172.9	24.7	-33.7	0	0	0	112.9	Q281 R288	Q281-P283 VanDerWaalsContact C-CD 3.41Å; Q281-P283 VanDerWaalsContact O-CD 3.24Å; Q281-P283 WeakPolarHBondContact O-CD 3.18Å; P283-R288 PolarHBondContact O-NE 2.93Å; P283-R288 PolarHBondContact O-NH2 3.32Å
284	D	65.8	Low	80.2	Confident	155 Å²	155	53.6 Å²	53.6	83%	0.829	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-7.1	-171.6	-51.4	-58.6	0	0	0	114.2	Y282	Y282-D284 VanDerWaalsContact C-N 3.31Å; Y282-D284 PolarHBondContact O-N 3.32Å
285	D	66.3	Low	80.3	Confident	70 Å²	70	53.7 Å²	53.7	37%	0.374	28%	0.276	S	S	.	.	S	Bend	trans	-85.3	134.1	176.7	-165.1	-37.1	0	0	0	110.9	L245 Y282 A287 R288	L245-D285 HydrophobicContact CD2-CB 4.34Å; L245-D285 WeakPolarHBondContact CD2-OD2 3.48Å; Y282-D285 PolarHBondContact O-N 3.38Å; D285-A287 HydrophobicContact CB-CB 4.37Å; D285-A287 PolarHBondContact O-N 3.31Å; D285-A287 WeakPolarHBondContact OD1-CB 3.46Å; D285-A287 PolarHBondContact OD1-N 3.21Å; D285-R288 WeakPolarHBondContact O-CG 3.49Å
286	A	60.6	Low	80.7	Confident	100 Å²	100	50.4 Å²	50.4	83%	0.826	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-11.1	171.8	0	0	0	0	0	113.7	R288	A286-R288 PolarHBondContact O-N 2.84Å
287	A	59.2	Low	81	Confident	14 Å²	14	47.7 Å²	47.7	12%	0.116	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	8.9	178.1	0	0	0	0	0	116	L245 D285 H289 R290	L245-A287 HydrophobicContact CD2-CB 3.82Å; D285-A287 HydrophobicContact CB-CB 4.37Å; D285-A287 PolarHBondContact O-N 3.31Å; D285-A287 WeakPolarHBondContact OD1-CB 3.46Å; D285-A287 PolarHBondContact OD1-N 3.21Å; A287-H289 PolarHBondContact O-N 3.26Å; A287-R290 HydrophobicContact CB-CG 4.16Å; A287-R290 WeakPolarHBondContact O-CG 3.42Å; A287-R290 PolarHBondContact O-N 2.99Å
288	R	62.7	Low	81.4	Confident	151 Å²	151	46.6 Å²	46.6	57%	0.57	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.6	-16.4	-174.8	-55.2	-168.9	-179.9	161.2	-0.7	117.1	S279 P283 D285 A286	S279-R288 WeakPolarHBondContact CB-O 3.47Å; S279-R288 PolarHBondContact OG-O 3.31Å; P283-R288 PolarHBondContact O-NE 2.93Å; P283-R288 PolarHBondContact O-NH2 3.32Å; D285-R288 WeakPolarHBondContact O-CG 3.49Å; A286-R288 PolarHBondContact O-N 2.84Å
289	H	71.8	Confident	81.8	Confident	156 Å²	156	49 Å²	49	72%	0.722	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-2.5	179.4	-57.2	-50.9	0	0	0	115.4	R275 A287	R275-H289 PolarHBondContact NH1-O 2.7Å; A287-H289 PolarHBondContact O-N 3.26Å
290	R	86	Confident	82.3	Confident	89 Å²	89	48.6 Å²	48.6	34%	0.336	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-68.2	154.1	179.1	-66.9	-171.7	-165.8	175.8	11.2	112.4	S249 S250 R275 A287	S249-R290 WeakPolarHBondContact OG-CD 3.37Å; S249-R290 PolarHBondContact OG-NH1 2.83Å; S249-R290 VanDerWaalsContact OG-NH1 3.15Å; S250-R290 CarbonylContact O-C 3.59Å; S250-R290 WeakPolarHBondContact O-CA 3.48Å; S250-R290 WeakPolarHBondContact O-CB 3.5Å; R275-R290 WeakPolarHBondContact CG-O 3.46Å; A287-R290 HydrophobicContact CB-CG 4.16Å; A287-R290 WeakPolarHBondContact O-CG 3.42Å; A287-R290 PolarHBondContact O-N 2.99Å
291	F	89.8	Confident	82.6	Confident	29 Å²	29	50.1 Å²	50.1	13%	0.127	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	145.5	173.3	-62	-98.9	0	0	0	110.6	S249 S250 T256	S249-F291 CarbonylContact C-O 3.5Å; S249-F291 VanDerWaalsContact CA-O 3.28Å; S249-F291 WeakPolarHBondContact CA-O 3.4Å; S250-F291 PolarHBondContact N-O 3.07Å; S250-F291 PolarHBondContact O-N 3.35Å; T256-F291 WeakPolarHBondContact OG1-CB 3.46Å
292	P	92.4	Very high	82.9	Confident	2 Å²	2	50 Å²	50	1%	0.013	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	143.4	169.9	27.7	-34.2	0	0	0	112.1	P239 T256 L274 H278 L294	P239-P292 HydrophobicContact CG-CB 4.05Å; T256-P292 PolarHBondContact OG1-O 3.43Å; L274-P292 HydrophobicContact CB-CG 4.36Å; H278-P292 HydrophobicContact CB-CB 4.15Å; H278-P292 HydrophobicContact CB-CG 4.18Å; P292-L294 HydrophobicContact CB-CD2 3.9Å; P292-L294 HydrophobicContact CB-CG 4.36Å; P292-L294 HydrophobicContact CG-CD2 3.59Å; P292-L294 HydrophobicContact CG-CG 4.25Å
293	V	94.2	Very high	83.3	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.286	C	S	.	.			trans	-81.1	111.8	163.5	178.5	0	0	0	0	107.6	L214 T218 L222 P239 T248 K255	L214-V293 HydrophobicContact CD1-CG1 3.94Å; T218-V293 HydrophobicContact CG2-CB 4.46Å; T218-V293 HydrophobicContact CG2-CG1 3.58Å; L222-V293 WeakPolarHBondContact CD2-O 3.45Å; P239-V293 WeakPolarHBondContact CD-O 3.46Å; T248-V293 WeakPolarHBondContact O-CB 3.39Å; T248-V293 PolarHBondContact O-N 2.99Å; K255-V293 HydrophobicContact CB-CB 4.29Å; K255-V293 HydrophobicContact CB-CG1 4.04Å; K255-V293 HydrophobicContact CB-CG2 3.82Å; K255-V293 HydrophobicContact CD-CG1 4.4Å; K255-V293 HydrophobicContact CD-CG2 3.73Å; K255-V293 HydrophobicContact CG-CG2 4.47Å; K255-V293 WeakPolarHBondContact O-CA 3.31Å
294	L	94.8	Very high	84.2	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.01	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	165.9	-176.2	59.5	74.4	0	0	0	112.6	F237 L238 K255 T256 F257 L274 P292 L296	F237-L294 CarbonylContact O-C 3.34Å; F237-L294 VanDerWaalsContact O-CA 3.24Å; F237-L294 WeakPolarHBondContact O-CA 3.08Å; F237-L294 VanDerWaalsContact O-CB 3.31Å; F237-L294 WeakPolarHBondContact O-CB 3.39Å; L238-L294 HydrophobicContact CG-CB 4.49Å; L238-L294 HydrophobicContact CG-CD2 4.32Å; K255-L294 PolarHBondContact O-N 3.27Å; K255-L294 VanDerWaalsContact O-N 3.12Å; T256-L294 HydrophobicContact CG2-CD1 3.83Å; T256-L294 HydrophobicContact CG2-CD2 4.47Å; T256-L294 HydrophobicContact CG2-CG 4.01Å; F257-L294 WeakPolarHBondContact CD2-O 3.3Å; F257-L294 PolarHBondContact N-O 2.86Å; L274-L294 HydrophobicContact CB-CD2 4.41Å; L274-L294 HydrophobicContact CD1-CD1 4.25Å; L274-L294 HydrophobicContact CD1-CD2 4.14Å; L274-L294 HydrophobicContact CD2-CD2 3.87Å; L274-L294 HydrophobicContact CG-CD2 4.37Å; P292-L294 HydrophobicContact CB-CD2 3.9Å; P292-L294 HydrophobicContact CB-CG 4.36Å; P292-L294 HydrophobicContact CG-CD2 3.59Å; P292-L294 HydrophobicContact CG-CG 4.25Å; L294-L296 HydrophobicContact CD1-CB 4.32Å
295	L	96.1	Very high	85.3	Confident	4 Å²	4	44.4 Å²	44.4	2%	0.021	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	136.7	156.6	178.7	147.8	0	0	0	109.3	I181 G236 F237 F257 F259	I181-L295 HydrophobicContact CB-CD1 4.22Å; I181-L295 HydrophobicContact CG2-CD1 3.28Å; G236-L295 CarbonylContact C-O 3.56Å; G236-L295 VanDerWaalsContact CA-O 3.31Å; G236-L295 WeakPolarHBondContact CA-O 3.21Å; F237-L295 PolarHBondContact N-O 3.44Å; F237-L295 PolarHBondContact O-N 2.93Å; F257-L295 CarbonylContact O-C 3.59Å; F257-L295 WeakPolarHBondContact O-CA 3.3Å; F259-L295 HydrophobicContact CD2-CD1 4.27Å; F259-L295 HydrophobicContact CD2-CG 4.17Å; F259-L295 HydrophobicContact CE2-CD1 3.61Å; F259-L295 HydrophobicContact CE2-CG 3.82Å; F259-L295 HydrophobicContact CZ-CD1 4.47Å
296	L	96.7	Very high	86.3	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	117.3	166.4	179.4	63.9	0	0	0	108.8	L234 F257 I258 F259 L274 L294 I298 I328 L331	L234-L296 HydrophobicContact CB-CD1 4.42Å; F257-L296 PolarHBondContact O-N 3.18Å; I258-L296 CarbonylContact C-O 3.58Å; I258-L296 WeakPolarHBondContact CA-O 3.44Å; F259-L296 PolarHBondContact N-O 3.44Å; L274-L296 HydrophobicContact CD1-CD2 4.48Å; L274-L296 HydrophobicContact CD2-CD2 4.4Å; L294-L296 HydrophobicContact CD1-CB 4.32Å; L296-I298 HydrophobicContact CD2-CD1 4.26Å; L296-I298 HydrophobicContact CD2-CG1 4.25Å; L296-I298 HydrophobicContact CG-CG1 4.04Å; L296-I328 HydrophobicContact CD2-CD1 4.03Å; L296-I328 HydrophobicContact CD2-CG1 4.18Å; L296-I328 HydrophobicContact CD2-CG2 4.34Å; L296-L331 HydrophobicContact CD1-CD2 4.32Å
297	N	96.8	Very high	87.5	Confident	9 Å²	9	40.3 Å²	40.3	5%	0.048	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	135.6	165	179.5	73.9	0	0	0	109	I182 D235 F259 K262 T299	I182-N297 HydrophobicContact CD1-CB 4.12Å; D235-N297 PolarHBondContact N-O 3.01Å; D235-N297 PolarHBondContact O-N 3.03Å; D235-N297 PolarHBondContact OD2-ND2 3.48Å; F259-N297 HydrophobicContact CB-CB 4.36Å; K262-N297 PolarHBondContact N-OD1 2.85Å; N297-T299 PolarHBondContact ND2-OG1 3.44Å
298	I	95.7	Very high	88.5	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	111.8	179.9	-54.1	167.6	0	0	0	105.9	L234 I258 F259 I260 N261 I270 L296 V300 V324 I328	L234-I298 HydrophobicContact CD2-CB 4.24Å; L234-I298 HydrophobicContact CD2-CG1 3.91Å; L234-I298 HydrophobicContact CD2-CG2 3.93Å; I258-I298 HydrophobicContact CG2-CD1 4.25Å; F259-I298 PolarHBondContact O-N 2.85Å; I260-I298 CarbonylContact C-O 3.59Å; I260-I298 WeakPolarHBondContact CA-O 3.47Å; I260-I298 HydrophobicContact CG1-CB 4.12Å; I260-I298 HydrophobicContact CG1-CD1 4.08Å; N261-I298 PolarHBondContact N-O 3.27Å; I270-I298 HydrophobicContact CD1-CD1 3.81Å; L296-I298 HydrophobicContact CD2-CD1 4.26Å; L296-I298 HydrophobicContact CD2-CG1 4.25Å; L296-I298 HydrophobicContact CG-CG1 4.04Å; I298-V300 HydrophobicContact CG2-CG1 4.08Å; I298-V324 HydrophobicContact CD1-CG1 4.36Å; I298-V324 HydrophobicContact CG2-CG1 4.12Å; I298-I328 HydrophobicContact CD1-CD1 3.75Å; I298-I328 HydrophobicContact CG1-CD1 4.48Å
299	T	94.8	Very high	89.5	Confident	52 Å²	52	39.7 Å²	39.7	32%	0.319	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	120.9	177.3	-54.2	0	0	0	0	108.8	M232 V233 N261 N297	M232-T299 CarbonylContact C-O 3.51Å; M232-T299 WeakPolarHBondContact CA-O 3.37Å; M232-T299 WeakPolarHBondContact CB-O 3.33Å; V233-T299 PolarHBondContact N-O 2.86Å; V233-T299 PolarHBondContact O-N 2.88Å; N261-T299 WeakPolarHBondContact OD1-CA 3.43Å; N297-T299 PolarHBondContact ND2-OG1 3.44Å
300	V	93.4	Very high	89.8	Confident	12 Å²	12	33.2 Å²	33.2	7%	0.073	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	157.2	-179	-68.6	0	0	0	0	110.4	M232 I260 N261 I298 L305 L318 V324	M232-V300 HydrophobicContact CB-CG1 3.85Å; I260-V300 HydrophobicContact CG2-CG2 4.02Å; N261-V300 PolarHBondContact ND2-O 2.84Å; N261-V300 PolarHBondContact OD1-N 3.45Å; N261-V300 PolarHBondContact OD1-O 3.46Å; I298-V300 HydrophobicContact CG2-CG1 4.08Å; V300-L305 HydrophobicContact CG2-CB 4.34Å; V300-L305 HydrophobicContact CG2-CD2 4.46Å; V300-L318 HydrophobicContact CG2-CD2 4.33Å; V300-V324 HydrophobicContact CG1-CG2 4.48Å
301	C	90.4	Very high	89	Confident	72 Å²	72	32 Å²	32	49%	0.486	20%	0.195	S	C	.	.			trans	-57.3	128.6	174.2	-170.9	0	0	0	0	110.8	S303 S304	C301-S303 PolarHBondContact O-N 3.27Å; C301-S303 VanDerWaalsContact O-N 3.15Å; C301-S303 PolarHBondContact SG-OG 3.42Å; C301-S303 VanDerWaalsContact SG-OG 3.41Å; C301-S304 WeakPolarHBondContact O-CB 3.31Å; C301-S304 PolarHBondContact O-N 3.11Å; C301-S304 PolarHBondContact O-OG 3.25Å
302	P	87.1	Confident	88.2	Confident	38 Å²	38	33.6 Å²	33.6	25%	0.247	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-55	-33	-176.2	-29.4	37	0	0	0	114.9	E85 S304 L305	E85-P302 CarbonylContact O-C 3.58Å; E85-P302 WeakPolarHBondContact O-CB 3.48Å; P302-S304 PolarHBondContact O-N 3.31Å; P302-L305 PolarHBondContact O-N 3.16Å; P302-L305 VanDerWaalsContact O-N 3.11Å
303	S	87.1	Confident	87.5	Confident	80 Å²	80	34.6 Å²	34.6	56%	0.559	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-67.8	-15.3	176.6	58.6	0	0	0	0	114.4	E85 C301 L305	E85-S303 PolarHBondContact O-N 2.63Å; E85-S303 VanDerWaalsContact O-N 3.11Å; C301-S303 PolarHBondContact O-N 3.27Å; C301-S303 VanDerWaalsContact O-N 3.15Å; C301-S303 PolarHBondContact SG-OG 3.42Å; C301-S303 VanDerWaalsContact SG-OG 3.41Å; S303-L305 VanDerWaalsContact C-N 3.32Å
304	S	87.4	Confident	86.8	Confident	33 Å²	33	36 Å²	36	23%	0.231	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-87.2	1	174.1	73.9	0	0	0	0	113.9	C301 P302 H319	C301-S304 WeakPolarHBondContact O-CB 3.31Å; C301-S304 PolarHBondContact O-N 3.11Å; C301-S304 PolarHBondContact O-OG 3.25Å; P302-S304 PolarHBondContact O-N 3.31Å; S304-H319 PolarHBondContact O-N 3.43Å
305	L	88.8	Confident	86.4	Confident	18 Å²	18	39.6 Å²	39.6	9%	0.094	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	104	-166	178.1	69.4	0	0	0	111.9	I260 N261 V300 P302 S303 V307 V316 L318	I260-L305 HydrophobicContact CG2-CD1 3.69Å; I260-L305 HydrophobicContact CG2-CD2 3.87Å; I260-L305 HydrophobicContact CG2-CG 4.44Å; N261-L305 HydrophobicContact CB-CD2 4.17Å; V300-L305 HydrophobicContact CG2-CB 4.34Å; V300-L305 HydrophobicContact CG2-CD2 4.46Å; P302-L305 PolarHBondContact O-N 3.16Å; P302-L305 VanDerWaalsContact O-N 3.11Å; S303-L305 VanDerWaalsContact C-N 3.32Å; L305-V307 HydrophobicContact CD2-CG1 4.03Å; L305-V307 HydrophobicContact CG-CG1 3.96Å; L305-V316 HydrophobicContact CD1-CB 3.7Å; L305-V316 HydrophobicContact CD1-CG1 4.26Å; L305-V316 HydrophobicContact CD1-CG2 3.65Å; L305-L318 HydrophobicContact CD1-CD2 3.74Å
306	D	87.3	Confident	86.1	Confident	73 Å²	73	39.9 Å²	39.9	39%	0.39	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	115.5	168.1	173.2	30.2	0	0	0	110.7	N308 V316 L317	D306-N308 WeakPolarHBondContact OD1-CA 3.49Å; D306-N308 WeakPolarHBondContact OD1-CB 3.42Å; D306-N308 PolarHBondContact OD1-N 3.22Å; D306-V316 CarbonylContact O-C 3.47Å; D306-V316 WeakPolarHBondContact O-CA 3.44Å; D306-V316 WeakPolarHBondContact O-CB 3.38Å; D306-L317 HydrophobicContact CB-CB 4.23Å; D306-L317 PolarHBondContact N-O 3.16Å; D306-L317 PolarHBondContact O-N 3.34Å
307	V	84.5	Confident	85.8	Confident	12 Å²	12	44.8 Å²	44.8	7%	0.073	26%	0.262	C	S	.	.			trans	-93.2	-0.4	176.4	-59.3	0	0	0	0	113.6	L87 F92 L305 V316	L87-V307 HydrophobicContact CD2-CG2 3.68Å; F92-V307 HydrophobicContact CE1-CG2 3.68Å; F92-V307 HydrophobicContact CZ-CG2 3.89Å; L305-V307 HydrophobicContact CD2-CG1 4.03Å; L305-V307 HydrophobicContact CG-CG1 3.96Å; V307-V316 HydrophobicContact CB-CG1 4.35Å; V307-V316 HydrophobicContact CG1-CG1 3.98Å
308	N	80.5	Confident	85.5	Confident	79 Å²	79	45.1 Å²	45.1	42%	0.422	26%	0.264	S	S	.	.			trans	-87.6	-3.5	-171.3	-156.4	30.8	0	0	0	113.8	F92 R93 D306 T310	F92-N308 HydrophobicContact CZ-CB 4.32Å; R93-N308 VanDerWaalsContact CZ-OD1 3.23Å; R93-N308 PolarHBondContact NE-OD1 2.93Å; R93-N308 PolarHBondContact NH2-O 2.99Å; R93-N308 PolarHBondContact NH2-OD1 3.26Å; D306-N308 WeakPolarHBondContact OD1-CA 3.49Å; D306-N308 WeakPolarHBondContact OD1-CB 3.42Å; D306-N308 PolarHBondContact OD1-N 3.22Å; N308-T310 PolarHBondContact O-N 3.43Å
309	V	83.1	Confident	85.2	Confident	72 Å²	72	53.4 Å²	53.4	44%	0.436	30%	0.302	S	S	.	.	S	Bend	trans	-56.4	-43.7	-173.3	-169.7	0	0	0	0	114.2	L317	V309-L317 HydrophobicContact CG2-CB 3.66Å
310	T	78.9	Confident	84.9	Confident	20 Å²	20	54 Å²	54	12%	0.123	30%	0.304	C	S	.	.	S	Bend	trans	-124.7	139	-171.8	47.3	0	0	0	0	112	N308 D312 K313 T314 Q315	N308-T310 PolarHBondContact O-N 3.43Å; T310-D312 PolarHBondContact O-N 3.34Å; T310-D312 PolarHBondContact OG1-OD1 3.26Å; T310-K313 PolarHBondContact O-N 3.06Å; T310-T314 PolarHBondContact OG1-N 2.85Å; T310-Q315 HydrophobicContact CG2-CB 3.91Å; T310-Q315 HydrophobicContact CG2-CG 4.48Å; T310-Q315 PolarHBondContact OG1-N 2.83Å; T310-Q315 PolarHBondContact OG1-O 3.3Å; T310-Q315 VanDerWaalsContact OG1-O 3.13Å
311	P	70.3	Confident	84.8	Confident	64 Å²	64	56.9 Å²	56.9	42%	0.416	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-24.6	178.7	-25	34.7	0	0	0	114.7
312	D	71.4	Confident	84.9	Confident	62 Å²	62	59 Å²	59	33%	0.332	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-1.5	175.5	68.8	6.6	0	0	0	113.6	K26 T310 T314	K26-D312 WeakPolarHBondContact CE-O 3.5Å; K26-D312 PolarHBondContact NZ-O 2.94Å; T310-D312 PolarHBondContact O-N 3.34Å; T310-D312 PolarHBondContact OG1-OD1 3.26Å; D312-T314 HydrophobicContact CB-CG2 4.2Å; D312-T314 VanDerWaalsContact CG-CG2 3.43Å; D312-T314 VanDerWaalsContact CG-OG1 3.29Å; D312-T314 PolarHBondContact O-N 3.26Å; D312-T314 VanDerWaalsContact O-N 3.16Å; D312-T314 WeakPolarHBondContact OD1-CB 3.08Å; D312-T314 WeakPolarHBondContact OD1-CG2 3.17Å; D312-T314 PolarHBondContact OD1-N 2.8Å; D312-T314 PolarHBondContact OD1-OG1 3.3Å; D312-T314 WeakPolarHBondContact OD2-CG2 3.39Å; D312-T314 PolarHBondContact OD2-OG1 3.06Å
313	K	78.5	Confident	85.1	Confident	23 Å²	23	58.7 Å²	58.7	10%	0.1	32%	0.318	C	S	.	.			trans	53.6	26.2	-177.7	-37.9	169	-149.4	154.2	0	113.7	E27 E30 Y90 T310	E27-K313 WeakPolarHBondContact OE1-CE 3.33Å; E27-K313 IonicContact OE1-NZ 3.82Å; E27-K313 PolarHBondContact OE1-NZ 3.3Å; E27-K313 WeakPolarHBondContact OE2-CE 3.48Å; E27-K313 IonicContact OE2-NZ 2.88Å; E27-K313 PolarHBondContact OE2-NZ 3.28Å; E30-K313 IonicContact OE2-NZ 3.06Å; E30-K313 PolarHBondContact OE2-NZ 3.2Å; Y90-K313 PolarHBondContact O-NZ 2.99Å; T310-K313 PolarHBondContact O-N 3.06Å
314	T	79.7	Confident	85.4	Confident	31 Å²	31	55.1 Å²	55.1	19%	0.19	29%	0.293	C	S	.	.			trans	-80.6	-20	178.6	58.6	0	0	0	0	112.9	V265 Q266 T310 D312	V265-T314 CarbonylContact C-O 3.55Å; V265-T314 WeakPolarHBondContact CA-O 3.49Å; Q266-T314 PolarHBondContact N-O 2.74Å; T310-T314 PolarHBondContact OG1-N 2.85Å; D312-T314 HydrophobicContact CB-CG2 4.2Å; D312-T314 VanDerWaalsContact CG-CG2 3.43Å; D312-T314 VanDerWaalsContact CG-OG1 3.29Å; D312-T314 PolarHBondContact O-N 3.26Å; D312-T314 VanDerWaalsContact O-N 3.16Å; D312-T314 WeakPolarHBondContact OD1-CB 3.08Å; D312-T314 WeakPolarHBondContact OD1-CG2 3.17Å; D312-T314 PolarHBondContact OD1-N 2.8Å; D312-T314 PolarHBondContact OD1-OG1 3.3Å; D312-T314 WeakPolarHBondContact OD2-CG2 3.39Å; D312-T314 PolarHBondContact OD2-OG1 3.06Å
315	Q	86.2	Confident	85.7	Confident	77 Å²	77	54.7 Å²	54.7	36%	0.36	29%	0.288	S	S	.	.			trans	-121.7	144.8	175	-66.2	165.4	49.4	0	0	109.7	T310	T310-Q315 HydrophobicContact CG2-CB 3.91Å; T310-Q315 HydrophobicContact CG2-CG 4.48Å; T310-Q315 PolarHBondContact OG1-N 2.83Å; T310-Q315 PolarHBondContact OG1-O 3.3Å; T310-Q315 VanDerWaalsContact OG1-O 3.13Å
316	V	90.2	Very high	85.9	Confident	10 Å²	10	56.5 Å²	56.5	6%	0.061	31%	0.305	C	S	.	.			trans	-128	155.7	177.5	-60.2	0	0	0	0	108.7	I260 V265 Q267 L305 D306 V307	I260-V316 HydrophobicContact CD1-CG2 3.59Å; V265-V316 HydrophobicContact CG1-CG1 4.09Å; V265-V316 HydrophobicContact CG1-CG2 4.26Å; Q267-V316 VanDerWaalsContact NE2-CG2 3.26Å; Q267-V316 PolarHBondContact NE2-O 3.33Å; L305-V316 HydrophobicContact CD1-CB 3.7Å; L305-V316 HydrophobicContact CD1-CG1 4.26Å; L305-V316 HydrophobicContact CD1-CG2 3.65Å; D306-V316 CarbonylContact O-C 3.47Å; D306-V316 WeakPolarHBondContact O-CA 3.44Å; D306-V316 WeakPolarHBondContact O-CB 3.38Å; V307-V316 HydrophobicContact CB-CG1 4.35Å; V307-V316 HydrophobicContact CG1-CG1 3.98Å
317	L	90.8	Very high	86.2	Confident	104 Å²	104	53.4 Å²	53.4	55%	0.545	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	133	171.8	178.7	65.3	0	0	0	108.5	D306 V309	D306-L317 HydrophobicContact CB-CB 4.23Å; D306-L317 PolarHBondContact N-O 3.16Å; D306-L317 PolarHBondContact O-N 3.34Å; V309-L317 HydrophobicContact CG2-CB 3.66Å
318	L	90.5	Very high	86.7	Confident	15 Å²	15	52.9 Å²	52.9	8%	0.079	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	129.2	178.6	-70.1	165.7	0	0	0	108.2	I260 V300 L305 K321 V324	I260-L318 HydrophobicContact CD1-CD1 4.14Å; I260-L318 HydrophobicContact CG2-CD2 4.5Å; V300-L318 HydrophobicContact CG2-CD2 4.33Å; L305-L318 HydrophobicContact CD1-CD2 3.74Å; L318-K321 HydrophobicContact CB-CB 4.16Å; L318-V324 HydrophobicContact CD1-CB 4.37Å; L318-V324 HydrophobicContact CD1-CG1 4.24Å; L318-V324 HydrophobicContact CD1-CG2 4.27Å
319	H	88.4	Confident	87.3	Confident	174 Å²	174	53 Å²	53	81%	0.806	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-54.7	178.3	-174.2	85.8	0	0	0	111	S304 K321	S304-H319 PolarHBondContact O-N 3.43Å; H319-K321 PolarHBondContact O-N 2.89Å
320	N	87.7	Confident	87.8	Confident	66 Å²	66	51.7 Å²	51.7	35%	0.353	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	54.8	177.4	-162	0.2	0	0	0	111.7	E231 E322 A323 V324	E231-N320 PolarHBondContact OE2-ND2 3.32Å; N320-E322 VanDerWaalsContact C-N 3.29Å; N320-E322 PolarHBondContact O-N 3.09Å; N320-A323 HydrophobicContact CB-CB 4.41Å; N320-A323 VanDerWaalsContact ND2-CB 3.33Å; N320-A323 WeakPolarHBondContact ND2-CB 3.31Å; N320-A323 PolarHBondContact O-N 3.37Å; N320-A323 VanDerWaalsContact OD1-CB 3.24Å; N320-A323 WeakPolarHBondContact OD1-CB 3.42Å; N320-V324 PolarHBondContact O-N 2.71Å
321	K	91.5	Very high	88.5	Confident	71 Å²	71	51.4 Å²	51.4	31%	0.309	28%	0.279	S	S	.	.	H	α-helix	trans	-52.6	-43.7	-176.2	178.3	-174.1	168.1	-106.3	0	113.1	D269 L318 H319 V324 L325	D269-K321 WeakPolarHBondContact OD2-CE 3.38Å; D269-K321 IonicContact OD2-NZ 2.7Å; D269-K321 PolarHBondContact OD2-NZ 2.84Å; L318-K321 HydrophobicContact CB-CB 4.16Å; H319-K321 PolarHBondContact O-N 2.89Å; K321-V324 WeakPolarHBondContact O-CB 3.35Å; K321-V324 PolarHBondContact O-N 2.89Å; K321-L325 HydrophobicContact CG-CD1 4.36Å; K321-L325 PolarHBondContact O-N 2.77Å
322	E	92.3	Very high	89.5	Confident	116 Å²	116	48.4 Å²	48.4	54%	0.542	26%	0.26	S	S	.	.	H	α-helix	trans	-74	-30.8	-173.2	-55.9	-52.6	133.2	0	0	112	N320 V324 L325 A326	N320-E322 VanDerWaalsContact C-N 3.29Å; N320-E322 PolarHBondContact O-N 3.09Å; E322-V324 VanDerWaalsContact C-N 3.35Å; E322-L325 PolarHBondContact O-N 3.01Å; E322-L325 WeakPolarHBondContact OE2-CD1 3.27Å; E322-A326 WeakPolarHBondContact O-CB 3.21Å; E322-A326 PolarHBondContact O-N 2.94Å
323	A	92	Very high	90.5	Very high	32 Å²	32	47.3 Å²	47.3	26%	0.264	26%	0.255	S	S	.	.	H	α-helix	trans	-66	-35.9	169	0	0	0	0	0	112.4	M232 N320 A326 A327	M232-A323 HydrophobicContact CE-CB 4.23Å; N320-A323 HydrophobicContact CB-CB 4.41Å; N320-A323 VanDerWaalsContact ND2-CB 3.33Å; N320-A323 WeakPolarHBondContact ND2-CB 3.31Å; N320-A323 PolarHBondContact O-N 3.37Å; N320-A323 VanDerWaalsContact OD1-CB 3.24Å; N320-A323 WeakPolarHBondContact OD1-CB 3.42Å; A323-A326 PolarHBondContact O-N 2.68Å; A323-A327 VanDerWaalsContact O-CB 3.3Å; A323-A327 WeakPolarHBondContact O-CB 3.24Å; A323-A327 PolarHBondContact O-N 2.78Å
324	V	93	Very high	91.1	Very high	5 Å²	5	51.3 Å²	51.3	3%	0.03	29%	0.286	C	S	.	.	H	α-helix	trans	-65	-41.3	173.8	177.3	0	0	0	0	110.8	M232 I298 V300 L318 N320 K321 E322 I328	M232-V324 HydrophobicContact CE-CB 4.39Å; M232-V324 HydrophobicContact CE-CG2 3.65Å; M232-V324 HydrophobicContact SD-CB 4.33Å; M232-V324 HydrophobicContact SD-CG2 3.92Å; I298-V324 HydrophobicContact CD1-CG1 4.36Å; I298-V324 HydrophobicContact CG2-CG1 4.12Å; V300-V324 HydrophobicContact CG1-CG2 4.48Å; L318-V324 HydrophobicContact CD1-CB 4.37Å; L318-V324 HydrophobicContact CD1-CG1 4.24Å; L318-V324 HydrophobicContact CD1-CG2 4.27Å; N320-V324 PolarHBondContact O-N 2.71Å; K321-V324 WeakPolarHBondContact O-CB 3.35Å; K321-V324 PolarHBondContact O-N 2.89Å; E322-V324 VanDerWaalsContact C-N 3.35Å; V324-I328 HydrophobicContact CG1-CD1 3.93Å; V324-I328 WeakPolarHBondContact O-CD1 3.33Å; V324-I328 VanDerWaalsContact O-CG1 3.22Å; V324-I328 WeakPolarHBondContact O-CG1 3.26Å; V324-I328 PolarHBondContact O-N 2.86Å; V324-I328 VanDerWaalsContact O-N 3.12Å
325	L	94.4	Very high	91.5	Very high	25 Å²	25	51.2 Å²	51.2	13%	0.131	28%	0.284	C	S	.	.	H	α-helix	trans	-65	-45.8	174.4	-70.6	173.6	0	0	0	111.8	D269 I270 L273 K321 E322 A327 I328 E329	D269-L325 HydrophobicContact CB-CD1 4.26Å; D269-L325 HydrophobicContact CB-CD2 4.24Å; I270-L325 HydrophobicContact CG1-CD2 3.84Å; L273-L325 HydrophobicContact CD2-CD2 4.14Å; K321-L325 HydrophobicContact CG-CD1 4.36Å; K321-L325 PolarHBondContact O-N 2.77Å; E322-L325 PolarHBondContact O-N 3.01Å; E322-L325 WeakPolarHBondContact OE2-CD1 3.27Å; L325-A327 PolarHBondContact O-N 3.02Å; L325-I328 PolarHBondContact O-N 3.5Å; L325-E329 WeakPolarHBondContact O-CB 3.43Å; L325-E329 PolarHBondContact O-N 2.84Å
326	A	93.5	Very high	91.6	Very high	55 Å²	55	48.4 Å²	48.4	46%	0.455	27%	0.271	S	S	.	.	H	α-helix	trans	-63.5	-37.1	177.8	0	0	0	0	0	113	E322 A323 E329 A330	E322-A326 WeakPolarHBondContact O-CB 3.21Å; E322-A326 PolarHBondContact O-N 2.94Å; A323-A326 PolarHBondContact O-N 2.68Å; A326-E329 PolarHBondContact O-N 2.8Å; A326-A330 WeakPolarHBondContact O-CB 3.35Å; A326-A330 PolarHBondContact O-N 3.38Å
327	A	93.7	Very high	91.3	Very high	8 Å²	8	49.7 Å²	49.7	7%	0.066	29%	0.286	C	S	.	.	H	α-helix	trans	-66.5	-40.2	174.8	0	0	0	0	0	111.9	Q229 M232 L234 A323 L325 L331	Q229-A327 HydrophobicContact CG-CB 4.31Å; M232-A327 HydrophobicContact SD-CB 3.71Å; L234-A327 HydrophobicContact CD1-CB 4Å; A323-A327 VanDerWaalsContact O-CB 3.3Å; A323-A327 WeakPolarHBondContact O-CB 3.24Å; A323-A327 PolarHBondContact O-N 2.78Å; L325-A327 PolarHBondContact O-N 3.02Å; A327-L331 WeakPolarHBondContact O-CB 3.25Å; A327-L331 PolarHBondContact O-N 2.92Å
328	I	94.3	Very high	90.4	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-69.3	-38	174.8	-65.5	166.6	0	0	0	110.9	L234 I270 L273 L274 L296 I298 V324 L325 L331 L332	L234-I328 HydrophobicContact CD1-CG1 4.06Å; L234-I328 HydrophobicContact CD2-CG1 4.17Å; I270-I328 HydrophobicContact CD1-CD1 4.14Å; I270-I328 HydrophobicContact CG1-CD1 4.28Å; I270-I328 HydrophobicContact CG2-CD1 3.98Å; L273-I328 HydrophobicContact CD2-CB 4.06Å; L273-I328 HydrophobicContact CD2-CG2 3.79Å; L274-I328 HydrophobicContact CD2-CG2 4.23Å; L296-I328 HydrophobicContact CD2-CD1 4.03Å; L296-I328 HydrophobicContact CD2-CG1 4.18Å; L296-I328 HydrophobicContact CD2-CG2 4.34Å; I298-I328 HydrophobicContact CD1-CD1 3.75Å; I298-I328 HydrophobicContact CG1-CD1 4.48Å; V324-I328 HydrophobicContact CG1-CD1 3.93Å; V324-I328 WeakPolarHBondContact O-CD1 3.33Å; V324-I328 VanDerWaalsContact O-CG1 3.22Å; V324-I328 WeakPolarHBondContact O-CG1 3.26Å; V324-I328 PolarHBondContact O-N 2.86Å; V324-I328 VanDerWaalsContact O-N 3.12Å; L325-I328 PolarHBondContact O-N 3.5Å; I328-L331 WeakPolarHBondContact O-CB 3.39Å; I328-L331 PolarHBondContact O-N 3.46Å; I328-L332 HydrophobicContact CG2-CD1 3.9Å; I328-L332 HydrophobicContact CG2-CG 4.41Å; I328-L332 WeakPolarHBondContact O-CB 3.41Å; I328-L332 WeakPolarHBondContact O-CD1 3.27Å; I328-L332 WeakPolarHBondContact O-CG 3.44Å; I328-L332 PolarHBondContact O-N 2.99Å
329	E	93.7	Very high	89.1	Confident	81 Å²	81	57.6 Å²	57.6	38%	0.379	31%	0.312	S	S	.	.	H	α-helix	trans	-64.2	-45.7	174.1	-176.7	167.3	-174.4	0	0	111.2	L273 L325 A326 L331 L332 V333	L273-E329 HydrophobicContact CD1-CB 4.28Å; L273-E329 HydrophobicContact CD1-CG 4.46Å; L273-E329 HydrophobicContact CD2-CB 4.24Å; L325-E329 WeakPolarHBondContact O-CB 3.43Å; L325-E329 PolarHBondContact O-N 2.84Å; A326-E329 PolarHBondContact O-N 2.8Å; E329-L331 VanDerWaalsContact C-N 3.32Å; E329-L331 PolarHBondContact O-N 2.9Å; E329-L332 PolarHBondContact O-N 3.31Å; E329-L332 VanDerWaalsContact O-N 3.13Å; E329-V333 HydrophobicContact CG-CG2 4.21Å; E329-V333 WeakPolarHBondContact O-CB 3.43Å; E329-V333 VanDerWaalsContact O-CG2 3.31Å; E329-V333 WeakPolarHBondContact O-CG2 3.2Å; E329-V333 PolarHBondContact O-N 2.82Å
330	A	92.3	Very high	87.4	Confident	46 Å²	46	53.6 Å²	53.6	38%	0.38	30%	0.301	S	S	.	.	H	α-helix	trans	-59.2	-41.6	175.2	0	0	0	0	0	112.2	A326 V333 S334	A326-A330 WeakPolarHBondContact O-CB 3.35Å; A326-A330 PolarHBondContact O-N 3.38Å; A330-V333 PolarHBondContact O-N 2.88Å; A330-S334 VanDerWaalsContact O-CB 3.26Å; A330-S334 WeakPolarHBondContact O-CB 3.25Å; A330-S334 PolarHBondContact O-N 3.15Å
331	L	93.4	Very high	85.5	Confident	13 Å²	13	56.8 Å²	56.8	7%	0.068	31%	0.314	C	S	.	.	H	α-helix	trans	-59.9	-46.6	172.8	175.3	60.6	0	0	0	111.8	V225 L234 L296 A327 I328 E329 S334 L335	V225-L331 HydrophobicContact CB-CD1 4.13Å; V225-L331 HydrophobicContact CG1-CD1 4.32Å; V225-L331 HydrophobicContact CG2-CD1 4.41Å; V225-L331 HydrophobicContact CG2-CD2 4.26Å; L234-L331 HydrophobicContact CB-CD2 4.23Å; L234-L331 HydrophobicContact CD1-CB 4.42Å; L234-L331 HydrophobicContact CD1-CD2 4.05Å; L296-L331 HydrophobicContact CD1-CD2 4.32Å; A327-L331 WeakPolarHBondContact O-CB 3.25Å; A327-L331 PolarHBondContact O-N 2.92Å; I328-L331 WeakPolarHBondContact O-CB 3.39Å; I328-L331 PolarHBondContact O-N 3.46Å; E329-L331 VanDerWaalsContact C-N 3.32Å; E329-L331 PolarHBondContact O-N 2.9Å; L331-S334 PolarHBondContact O-N 3.21Å; L331-L335 WeakPolarHBondContact O-CB 3.45Å; L331-L335 PolarHBondContact O-N 3.34Å
332	L	92.4	Very high	83	Confident	2 Å²	2	60.3 Å²	60.3	1%	0.01	33%	0.33	C	S	.	.	H	α-helix	trans	-67.3	-40.8	179.6	-69.8	165.8	0	0	0	112.2	L238 L273 L274 H277 I328 E329 L335 Y336	L238-L332 HydrophobicContact CD2-CD2 3.7Å; L273-L332 HydrophobicContact CD2-CD1 4.4Å; L273-L332 HydrophobicContact CG-CD1 3.95Å; L274-L332 HydrophobicContact CD2-CD1 4.14Å; L274-L332 HydrophobicContact CD2-CD2 4.1Å; H277-L332 HydrophobicContact CB-CB 4Å; H277-L332 HydrophobicContact CB-CD1 4.09Å; H277-L332 HydrophobicContact CB-CD2 4.29Å; H277-L332 HydrophobicContact CB-CG 4.36Å; I328-L332 HydrophobicContact CG2-CD1 3.9Å; I328-L332 HydrophobicContact CG2-CG 4.41Å; I328-L332 WeakPolarHBondContact O-CB 3.41Å; I328-L332 WeakPolarHBondContact O-CD1 3.27Å; I328-L332 WeakPolarHBondContact O-CG 3.44Å; I328-L332 PolarHBondContact O-N 2.99Å; E329-L332 PolarHBondContact O-N 3.31Å; E329-L332 VanDerWaalsContact O-N 3.13Å; L332-L335 PolarHBondContact O-N 3.3Å; L332-Y336 HydrophobicContact CB-CD2 4.4Å; L332-Y336 HydrophobicContact CD2-CD2 3.93Å; L332-Y336 HydrophobicContact CD2-CE2 3.63Å; L332-Y336 VanDerWaalsContact O-CB 3.3Å; L332-Y336 WeakPolarHBondContact O-CB 3.43Å; L332-Y336 WeakPolarHBondContact O-CD2 3.32Å; L332-Y336 PolarHBondContact O-N 3.01Å
333	V	91.6	Very high	80.1	Confident	38 Å²	38	59.3 Å²	59.3	23%	0.23	33%	0.333	C	S	.	.	H	α-helix	trans	-66.6	-38.6	176.1	167.4	0	0	0	0	111.2	E329 A330 L335 G337 F338	E329-V333 HydrophobicContact CG-CG2 4.21Å; E329-V333 WeakPolarHBondContact O-CB 3.43Å; E329-V333 VanDerWaalsContact O-CG2 3.31Å; E329-V333 WeakPolarHBondContact O-CG2 3.2Å; E329-V333 PolarHBondContact O-N 2.82Å; A330-V333 PolarHBondContact O-N 2.88Å; V333-L335 VanDerWaalsContact C-N 3.34Å; V333-G337 CarbonylContact O-C 3.57Å; V333-G337 WeakPolarHBondContact O-CA 3.41Å; V333-G337 PolarHBondContact O-N 3.39Å; V333-F338 HydrophobicContact CG1-CB 3.87Å; V333-F338 HydrophobicContact CG1-CD2 4.29Å; V333-F338 HydrophobicContact CG2-CD2 4.06Å
334	S	90.8	Very high	77.5	Confident	107 Å²	107	63.3 Å²	63.3	75%	0.748	36%	0.356	S	S	*	.	H	α-helix	trans	-65.9	-34.9	174.1	-171.4	0	0	0	0	112.7	A330 L331	A330-S334 VanDerWaalsContact O-CB 3.26Å; A330-S334 WeakPolarHBondContact O-CB 3.25Å; A330-S334 PolarHBondContact O-N 3.15Å; L331-S334 PolarHBondContact O-N 3.21Å
335	L	89.6	Confident	74.8	Confident	29 Å²	29	68.5 Å²	68.5	15%	0.152	38%	0.384	C	S	.	.	H	α-helix	trans	-82.2	-39.9	-179.8	-179.3	60.3	0	0	0	114	L223 L238 P241 L331 L332 V333	L223-L335 HydrophobicContact CD2-CD1 3.58Å; L238-L335 HydrophobicContact CB-CD2 3.68Å; L238-L335 HydrophobicContact CD2-CD2 3.75Å; L238-L335 HydrophobicContact CG-CD2 4.34Å; P241-L335 HydrophobicContact CG-CD1 4.33Å; P241-L335 WeakPolarHBondContact CG-O 3.34Å; L331-L335 WeakPolarHBondContact O-CB 3.45Å; L331-L335 PolarHBondContact O-N 3.34Å; L332-L335 PolarHBondContact O-N 3.3Å; V333-L335 VanDerWaalsContact C-N 3.34Å
336	Y	87.9	Confident	72.2	Confident	18 Å²	18	73.8 Å²	73.8	7%	0.071	42%	0.42	C	S	.	.	H	α-helix	trans	-114.8	-4.8	-168.2	-64.1	-58.9	0	0	0	114.2	L238 P239 P241 H277 Q281 L332	L238-Y336 HydrophobicContact CD2-CE2 4.36Å; P239-Y336 WeakPolarHBondContact CD-OH 3.45Å; P239-Y336 PolarHBondContact O-OH 3.14Å; P239-Y336 VanDerWaalsContact O-OH 3.08Å; P241-Y336 HydrophobicContact CG-CD1 4.06Å; P241-Y336 HydrophobicContact CG-CE1 4.39Å; H277-Y336 HydrophobicContact CB-CD2 4.45Å; Q281-Y336 HydrophobicContact CG-CD1 3.72Å; Q281-Y336 HydrophobicContact CG-CE1 4.34Å; Q281-Y336 HydrophobicContact CG-CG 4.08Å; Q281-Y336 PolarHBondContact NE2-O 3.16Å; L332-Y336 HydrophobicContact CB-CD2 4.4Å; L332-Y336 HydrophobicContact CD2-CD2 3.93Å; L332-Y336 HydrophobicContact CD2-CE2 3.63Å; L332-Y336 VanDerWaalsContact O-CB 3.3Å; L332-Y336 WeakPolarHBondContact O-CB 3.43Å; L332-Y336 WeakPolarHBondContact O-CD2 3.32Å; L332-Y336 PolarHBondContact O-N 3.01Å
337	G	82.6	Confident	69.7	Low	38 Å²	38	79.5 Å²	79.5	39%	0.392	44%	0.437	S	S	.	.			trans	80.8	155.7	-171.7	0	0	0	0	0	113.3	V333	V333-G337 CarbonylContact O-C 3.57Å; V333-G337 WeakPolarHBondContact O-CA 3.41Å; V333-G337 PolarHBondContact O-N 3.39Å
338	F	72.6	Confident	66.9	Low	141 Å²	141	85.9 Å²	85.9	62%	0.618	48%	0.475	S	S	*	.			trans	-76.1	123.2	170.8	-172.3	-105.6	0	0	0	109.9	V333 P340	V333-F338 HydrophobicContact CG1-CB 3.87Å; V333-F338 HydrophobicContact CG1-CD2 4.29Å; V333-F338 HydrophobicContact CG2-CD2 4.06Å; F338-P340 HydrophobicContact CE1-CB 3.8Å; F338-P340 HydrophobicContact CE1-CG 4.17Å; F338-P340 HydrophobicContact CZ-CB 4.17Å
339	R	62.8	Low	63.8	Low	144 Å²	144	93.7 Å²	93.7	54%	0.543	52%	0.516	S	S	.	.			trans	-122.8	110.2	164.3	-75.7	-175.1	168.8	-178.9	-5	106.9	A280	A280-R339 PolarHBondContact O-NH1 2.98Å
340	P	52.3	Low	60.9	Low	90 Å²	90	95.1 Å²	95.1	58%	0.584	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-61.9	146.5	176.3	26.3	-32.8	0	0	0	109.5	F338 K342	F338-P340 HydrophobicContact CE1-CB 3.8Å; F338-P340 HydrophobicContact CE1-CG 4.17Å; F338-P340 HydrophobicContact CZ-CB 4.17Å; P340-K342 PolarHBondContact O-N 2.88Å; P340-K342 VanDerWaalsContact O-N 3.16Å
341	E	48	Very low	58.1	Low	133 Å²	133	99 Å²	99	62%	0.621	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-59.2	121	162.9	-70	-169.7	154.3	0	0	107.9	Q276	Q276-E341 PolarHBondContact NE2-OE1 2.84Å
342	K	39	Very low	55	Low	145 Å²	145	103.1 Å²	103.1	63%	0.63	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-61.2	123.1	154.6	-175.4	178.7	-177.2	-80.3	0	104.9	P340 D345	P340-K342 PolarHBondContact O-N 2.88Å; P340-K342 VanDerWaalsContact O-N 3.16Å; K342-D345 IonicContact NZ-OD1 2.63Å; K342-D345 PolarHBondContact NZ-OD1 3.41Å; K342-D345 IonicContact NZ-OD2 2.76Å; K342-D345 PolarHBondContact NZ-OD2 2.71Å
343	P	33	Very low	51.9	Low	94 Å²	94	108 Å²	108	61%	0.61	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-56.3	145.3	-178.7	23.6	-33.8	0	0	0	109.3	D345	P343-D345 PolarHBondContact O-N 3.44Å; P343-D345 VanDerWaalsContact O-N 3.13Å
344	P	36.7	Very low	48.8	Very low	116 Å²	116	109.6 Å²	109.6	75%	0.753	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-58	122.3	179.3	24.4	-33.3	0	0	0	109.1
345	D	35.2	Very low	45.6	Very low	114 Å²	114	110.8 Å²	110.8	61%	0.61	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-56.4	129	176.5	-65.6	-61.3	0	0	0	108.4	K342 P343 E347	K342-D345 IonicContact NZ-OD1 2.63Å; K342-D345 PolarHBondContact NZ-OD1 3.41Å; K342-D345 IonicContact NZ-OD2 2.76Å; K342-D345 PolarHBondContact NZ-OD2 2.71Å; P343-D345 PolarHBondContact O-N 3.44Å; P343-D345 VanDerWaalsContact O-N 3.13Å; D345-E347 PolarHBondContact O-N 2.86Å
346	P	40	Very low	42.8	Very low	136 Å²	136	116.1 Å²	116.1	88%	0.883	70%	0.695	S	S	*	*	S	Bend	trans	-80.7	44.2	-156	32.7	-38.9	0	0	0	114.5
347	E	42.4	Very low	39.8	Very low	176 Å²	176	123.9 Å²	123.9	82%	0.822	73%	0.732	S	S	*	*			trans	-146.9	67.3	-172.2	-151.4	170.3	-113.8	0	0	113.6	D345	D345-E347 PolarHBondContact O-N 2.86Å
348	T	34	Very low	37.2	Very low	142 Å²	142	128.5 Å²	128.5	87%	0.871	75%	0.752	S	S	*	*			trans	-169.8	54.5	145.7	15.3	0	0	0	0	113.2
349	L	30.3	Very low	34.9	Very low	165 Å²	165	129.3 Å²	129.3	86%	0.864	76%	0.763	S	S	*	*	S	Bend	trans	-78.6	133.6	149.3	-77.8	172	0	0	0	108
350	P	32.9	Very low	33.3	Very low	110 Å²	110	131 Å²	131	71%	0.714	78%	0.777	S	S	*	*			trans	-63.8	136.7	170.9	28.4	-33.3	0	0	0	108.6	A352	P350-A352 PolarHBondContact O-N 3.27Å
351	P	32.4	Very low	32.1	Very low	128 Å²	128	133 Å²	133	83%	0.831	78%	0.783	S	S	*	*			trans	-64.9	114.6	-171.7	24.4	-33.7	0	0	0	111.1	A353	P351-A353 PolarHBondContact O-N 3.28Å
352	A	29.2	Very low	31.1	Very low	100 Å²	100	133.2 Å²	133.2	83%	0.826	79%	0.786	S	S	*	*			trans	-67	121.7	155.6	0	0	0	0	0	107.2	P350 G354	P350-A352 PolarHBondContact O-N 3.27Å; A352-G354 PolarHBondContact O-N 2.95Å
353	A	27	Very low	30.5	Very low	104 Å²	104	134.1 Å²	134.1	86%	0.86	79%	0.792	S	S	*	*			trans	-72.7	101.4	-178.7	0	0	0	0	0	110.3	P351	P351-A353 PolarHBondContact O-N 3.28Å
354	G	27	Very low	30.1	Very low	71 Å²	71	134.9 Å²	134.9	73%	0.732	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-83.7	131.9	159.7	0	0	0	0	0	109.7	A352	A352-G354 PolarHBondContact O-N 2.95Å
355	C	23.8	Very low	29.6	Very low	133 Å²	133	140.7 Å²	140.7	90%	0.899	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-71.9	150.6	167.7	-67.8	0	0	0	0	110.2
356	V	30.9	Very low	29.2	Very low	140 Å²	140	144.5 Å²	144.5	85%	0.848	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-77.9	148.9	174.3	178.8	0	0	0	0	109.9
357	E	24.4	Very low	28.5	Very low	182 Å²	182	144.6 Å²	144.6	85%	0.85	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-68	154.3	178.7	-61.1	163.8	130.7	0	0	112.6
358	T	26.8	Very low	27.7	Very low	135 Å²	135	140.9 Å²	140.9	83%	0.828	81%	0.809	S	S	*	*			trans	-138.7	127.7	156.8	52.4	0	0	0	0	108.4
359	D	26	Very low	27.3	Very low	157 Å²	157	141.4 Å²	141.4	84%	0.84	81%	0.806	S	S	*	*			trans	-60.1	145.6	175.8	-59.6	-88.4	0	0	0	112.8
360	E	28.3	Very low	27	Very low	180 Å²	180	142.7 Å²	142.7	84%	0.841	81%	0.808	S	S	*	*				-177.5	123.9	98.6	-94.6	-164.8	162.8	0	0	113.9
361	N	27.6	Very low	26.6	Very low	132 Å²	132	145 Å²	145	71%	0.706	81%	0.814	S	S	*	*			trans	71.1	138.5	133.1	-146.4	11.1	0	0	0	124.1
362	M	26.2	Very low	26.2	Very low	138 Å²	138	143.4 Å²	143.4	68%	0.68	81%	0.811	S	S	*	*			trans	70.6	121.4	149.5	-134	71.6	99.7	0	0	124.3
363	E	26.2	Very low	25.9	Very low	164 Å²	164	142.2 Å²	142.2	77%	0.766	81%	0.809	S	S	*	*			trans	57.8	107.1	143.2	-75.5	177.8	130.3	0	0	125.3
364	S	25.7	Very low	25.8	Very low	109 Å²	109	146.2 Å²	146.2	76%	0.762	81%	0.81	S	S	*	*				90.8	111.5	122.3	80.1	0	0	0	0	123
365	R	26.1	Very low	25.7	Very low	239 Å²	239	148.3 Å²	148.3	90%	0.902	81%	0.814	S	S	*	*			trans	44.9	113.8	139.4	-84.3	-178.8	167.1	165.6	-2.4	122.2
366	K	25.6	Very low	25.8	Very low	194 Å²	194	147 Å²	147	84%	0.843	81%	0.812	S	S	*	*			trans	114.7	104.6	139.5	-70.8	-177	173	-175.8	0	119
367	V	25.5	Very low	25.5	Very low	138 Å²	138	144.4 Å²	144.4	84%	0.836	81%	0.805	S	S	*	*				34.1	108.8	123.7	-172.9	0	0	0	0	119.8
368	S	25.3	Very low	25.6	Very low	97 Å²	97	143 Å²	143	68%	0.678	80%	0.803	S	S	*	*				166	127.9	110.2	60.5	0	0	0	0	115.3
369	D	25.7	Very low	25.5	Very low	154 Å²	154	142.5 Å²	142.5	82%	0.824	79%	0.791	S	S	*	*			trans	57.2	137.2	140.4	-52.7	-30.2	0	0	0	126.8
370	E	25.3	Very low	25.4	Very low	192 Å²	192	144.3 Å²	144.3	90%	0.897	79%	0.786	S	S	*	*			trans	72	113	144.6	-70.6	-174.9	169.3	0	0	127
371	D	23.8	Very low	25.2	Very low	159 Å²	159	143.5 Å²	143.5	85%	0.85	78%	0.783	S	S	*	*				90.2	138.2	127.1	-138.2	11.9	0	0	0	127.1
372	A	24.3	Very low	24.9	Very low	93 Å²	93	141.8 Å²	141.8	77%	0.769	79%	0.786	S	S	*	*			trans	45.8	140.2	156.2	0	0	0	0	0	127.3
373	G	21.9	Very low	24.7	Very low	76 Å²	76	140.5 Å²	140.5	78%	0.784	79%	0.791	S	S	*	*			trans	152	61.3	144.4	0	0	0	0	0	127.3
374	Q	24.8	Very low	24.6	Very low	188 Å²	188	137.6 Å²	137.6	88%	0.879	79%	0.789	S	S	*	*			trans	39.9	122.4	144	-58.5	-172.6	18.6	0	0	127.7
375	S	24.8	Very low	24.3	Very low	115 Å²	115	137.8 Å²	137.8	80%	0.804	79%	0.789	S	S	*	*				102.5	140.2	119.7	77.1	0	0	0	0	127.3
376	A	26.4	Very low	24.2	Very low	105 Å²	105	131.6 Å²	131.6	87%	0.868	78%	0.782	S	S	*	*			trans	71.4	151.7	149.8	0	0	0	0	0	123.3
377	A	25	Very low	24.1	Very low	85 Å²	85	127.7 Å²	127.7	70%	0.702	78%	0.78	S	S	*	*			cis	-173.3	168.9	-25.4	0	0	0	0	0	113.9
378	L	25.7	Very low	24	Very low	154 Å²	154	126.7 Å²	126.7	81%	0.806	78%	0.779	S	S	*	*			trans	80.4	159.5	160.7	-58.2	-176.1	0	0	0	120
379	Q	25.2	Very low	23.9	Very low	123 Å²	123	127.4 Å²	127.4	58%	0.575	78%	0.783	S	S	*	*			cis	-178.8	130.6	-22.5	173	176.2	-128.7	0	0	116.7
380	R	23.5	Very low	23.8	Very low	196 Å²	196	125.2 Å²	125.2	74%	0.74	78%	0.78	S	S	*	*			trans	69	159.7	155.8	-70.6	177	-142.4	-165.5	8.5	120.8
381	Q	23.9	Very low	23.7	Very low	163 Å²	163	124.4 Å²	124.4	76%	0.762	78%	0.779	S	S	*	*			cis	-162	159.1	-4.9	-124	170	-52.1	0	0	115.3
382	A	21.8	Very low	23.7	Very low	95 Å²	95	119.9 Å²	119.9	79%	0.785	76%	0.764	S	S	*	*			trans	73	168.1	156.9	0	0	0	0	0	119
383	S	22.8	Very low	23.6	Very low	112 Å²	112	122.9 Å²	122.9	78%	0.783	77%	0.767	S	S	*	*			cis	-178	162.4	-21.1	46.5	0	0	0	0	109.9
384	S	22.8	Very low	23.7	Very low	103 Å²	103	127 Å²	127	72%	0.72	77%	0.77	S	S	*	*			cis	-174.4	167.1	-12.6	50.3	0	0	0	0	113.3
385	C	20.6	Very low	23.6	Very low	112 Å²	112	127.9 Å²	127.9	76%	0.757	77%	0.766	S	S	*	*			trans	58.4	129.1	155.2	66	0	0	0	0	126.1
386	S	22.6	Very low	23.5	Very low	109 Å²	109	127.7 Å²	127.7	76%	0.762	76%	0.755	S	S	*	*				152	117.9	114.9	-64.4	0	0	0	0	120
387	S	24.3	Very low	23.4	Very low	113 Å²	113	128.2 Å²	128.2	79%	0.79	75%	0.747	S	S	*	*			trans	55.5	148.3	131	-52.2	0	0	0	0	129.4
388	S	22.8	Very low	23.2	Very low	117 Å²	117	131.8 Å²	131.8	82%	0.818	75%	0.754	S	S	*	*			trans	83.6	156.5	147.9	-66	0	0	0	0	122.4
389	S	23.7	Very low	23.3	Very low	111 Å²	111	132.6 Å²	132.6	78%	0.776	75%	0.754	S	S	*	*			cis	-175.5	-171.5	-27	63.2	0	0	0	0	112.5
390	S	24.6	Very low	23.2	Very low	109 Å²	109	132.9 Å²	132.9	76%	0.762	77%	0.77	S	S	*	*			trans	87.6	126.2	170.1	-135.2	0	0	0	0	117.8
391	M	23	Very low	23.2	Very low	174 Å²	174	126.4 Å²	126.4	86%	0.857	76%	0.764	S	S	*	*			cis	97.1	141	36.5	-65	-104.1	77.4	0	0	113.2
392	A	23.3	Very low	23.2	Very low	65 Å²	65	124.8 Å²	124.8	54%	0.537	76%	0.755	S	S	.	*			cis	-164.6	-166.1	-5.3	0	0	0	0	0	113.1
393	D	23.2	Very low	23.4	Very low	156 Å²	156	125.7 Å²	125.7	83%	0.834	76%	0.755	S	S	*	*			trans	69.7	151	155.9	-51.2	-19.4	0	0	0	123.7
394	D	23.1	Very low	23.7	Very low	161 Å²	161	125.7 Å²	125.7	86%	0.861	75%	0.745	S	S	*	*			cis	-166.2	-176.9	-38.9	-156.8	-1.3	0	0	0	112.2
395	W	22	Very low	24.2	Very low	208 Å²	208	126 Å²	126	79%	0.788	75%	0.747	S	S	*	*			trans	107.8	94.6	165	177.3	-87.4	0	0	0	121.7
396	I	23.8	Very low	24.7	Very low	110 Å²	110	125.5 Å²	125.5	56%	0.564	74%	0.737	S	S	*	*				56.3	102.1	129.2	-51.2	-155.3	0	0	0	124.8
397	V	22.9	Very low	25.3	Very low	116 Å²	116	127.8 Å²	127.8	70%	0.703	74%	0.74	S	S	*	*				42.9	126.6	119.1	-175.9	0	0	0	0	123.5	Q399	V397-Q399 HydrophobicContact CG1-CG 4.4Å
398	N	22.6	Very low	25.6	Very low	161 Å²	161	131.2 Å²	131.2	86%	0.861	74%	0.743	S	S	*	*				-150.9	164.4	123.8	-143.4	-21.8	0	0	0	112.7
399	Q	25.9	Very low	26.1	Very low	171 Å²	171	129.8 Å²	129.8	80%	0.799	74%	0.739	S	S	*	*			trans	-114	147.9	-156.6	-60.6	-175.5	4.9	0	0	118.1	V397	V397-Q399 HydrophobicContact CG1-CG 4.4Å
400	S	23.5	Very low	26.4	Very low	129 Å²	129	131.3 Å²	131.3	90%	0.902	74%	0.744	S	S	*	*			trans	-169.5	163.9	156.3	51.7	0	0	0	0	109.5
401	G	23.7	Very low	26.7	Very low	60 Å²	60	137.4 Å²	137.4	62%	0.619	75%	0.75	S	S	*	*			cis	148.5	108.9	-8.7	0	0	0	0	0	112.1
402	F	23.3	Very low	26.9	Very low	129 Å²	129	136.9 Å²	136.9	57%	0.566	75%	0.751	S	S	*	*			trans	-157.6	155.2	177.8	-105.5	-87.3	0	0	0	111.8	E423	F402-E423 HydrophobicContact CE1-CG 4.19Å; F402-E423 WeakPolarHBondContact CE1-OE1 3.47Å; F402-E423 WeakPolarHBondContact CE1-OE2 3.47Å; F402-E423 HydrophobicContact CE2-CG 4.28Å; F402-E423 HydrophobicContact CZ-CB 3.92Å; F402-E423 HydrophobicContact CZ-CG 3.65Å
403	S	26.8	Very low	26.9	Very low	114 Å²	114	145.4 Å²	145.4	80%	0.797	77%	0.769	S	S	*	*			trans	-134	168.1	-171.3	-164.9	0	0	0	0	115.5
404	L	30.3	Very low	27.3	Very low	111 Å²	111	143.6 Å²	143.6	58%	0.581	77%	0.765	S	S	*	*			trans	-110.6	134	173.4	-75.6	166.5	0	0	0	110.1
405	C	32.5	Very low	27.8	Very low	110 Å²	110	145.3 Å²	145.3	74%	0.743	77%	0.768	S	S	*	*			trans	-83.6	145	-177.2	-59	0	0	0	0	113.2	R616	C405-R616 PolarHBondContact O-NH1 3.31Å; C405-R616 PolarHBondContact O-NH2 2.84Å
406	D	30	Very low	27.9	Very low	102 Å²	102	141 Å²	141	55%	0.545	77%	0.77	S	S	.	*			trans	-110.9	141.9	163.8	-78.9	-52.8	0	0	0	108.4	R616	D406-R616 IonicContact OD1-CZ 2.96Å; D406-R616 IonicContact OD1-NE 3.64Å; D406-R616 PolarHBondContact OD1-NE 3.35Å; D406-R616 IonicContact OD1-NH1 3.48Å; D406-R616 PolarHBondContact OD1-NH1 3.32Å; D406-R616 IonicContact OD1-NH2 2.71Å; D406-R616 PolarHBondContact OD1-NH2 3.05Å; D406-R616 VanDerWaalsContact OD1-NH2 3.15Å; D406-R616 IonicContact OD2-NH1 3.54Å
407	D	35.6	Very low	28.3	Very low	156 Å²	156	142.2 Å²	142.2	83%	0.834	78%	0.783	S	S	*	*	S	Bend	trans	-90.6	-1.6	-168.8	-93	-59.5	0	0	0	115	A409	D407-A409 PolarHBondContact O-N 2.81Å
408	E	31.2	Very low	28.4	Very low	185 Å²	185	145.4 Å²	145.4	86%	0.864	79%	0.79	S	S	*	*	S	Bend	trans	-100.2	47.1	-173.6	-70.7	-155.8	115.9	0	0	115.4
409	A	32.5	Very low	28.8	Very low	88 Å²	88	143.3 Å²	143.3	73%	0.727	79%	0.785	S	S	*	*			trans	-168.3	79.1	160.9	0	0	0	0	0	114.9	D407	D407-A409 PolarHBondContact O-N 2.81Å
410	T	30.8	Very low	28.6	Very low	142 Å²	142	138.1 Å²	138.1	87%	0.871	78%	0.778	S	S	*	*			trans	-154	49.2	162.1	-11.6	0	0	0	0	115.8
411	R	29.9	Very low	28.8	Very low	238 Å²	238	138.4 Å²	138.4	90%	0.898	78%	0.777	S	S	*	*	S	Bend	trans	-129	71.6	162.4	-81	-172	172.4	177.7	-1.2	111.5
412	N	28.2	Very low	29.2	Very low	162 Å²	162	145 Å²	145	87%	0.866	79%	0.791	S	S	*	*	S	Bend	trans	172.1	155.5	142.3	-91.4	-33.4	0	0	0	113.4
413	R	23.1	Very low	29.3	Very low	245 Å²	245	145 Å²	145	93%	0.925	79%	0.793	S	S	*	*			trans	74.5	158.5	165.4	-83.6	-163.6	164	-173.4	-4.5	118.3
414	P	30.5	Very low	29.5	Very low	117 Å²	117	143.2 Å²	143.2	76%	0.76	78%	0.779	S	S	*	*			trans	-119.9	-171.1	-131.2	44.8	-35.7	0	0	0	115.4
415	Q	35.3	Very low	29.4	Very low	197 Å²	197	149.7 Å²	149.7	92%	0.921	80%	0.795	S	S	*	*			trans	-54.1	135.1	-173.3	-64.8	170.4	-28.5	0	0	115.7
416	S	23.2	Very low	29.1	Very low	119 Å²	119	149.4 Å²	149.4	83%	0.832	78%	0.779	S	S	*	*			trans	-137.9	147.9	144.9	55.9	0	0	0	0	108.8
417	T	32.8	Very low	29.3	Very low	135 Å²	135	149.9 Å²	149.9	83%	0.828	79%	0.787	S	S	*	*			trans	-102.2	134.1	-176.9	43.7	0	0	0	0	111.7
418	E	23.7	Very low	29.5	Very low	183 Å²	183	151.4 Å²	151.4	86%	0.855	79%	0.789	S	S	*	*			trans	-169.8	146.6	151.5	-96.5	-66	107.3	0	0	107.3
419	P	31.1	Very low	30	Very low	117 Å²	117	145.2 Å²	145.2	76%	0.76	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-100	126.7	-173.9	35.2	-31.1	0	0	0	115
420	G	23.7	Very low	30.4	Very low	62 Å²	62	144.3 Å²	144.3	64%	0.639	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-101.9	166.4	172.1	0	0	0	0	0	114.7
421	P	27.5	Very low	30.9	Very low	135 Å²	135	140.5 Å²	140.5	88%	0.877	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-67	150.6	-176.1	-20	33.4	0	0	0	114.4
422	Q	31.1	Very low	31.5	Very low	198 Å²	198	131.6 Å²	131.6	93%	0.925	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-90.5	132.2	-178	-66.4	-172.8	-0.6	0	0	113.6
423	E	25.9	Very low	32.3	Very low	128 Å²	128	124.8 Å²	124.8	60%	0.598	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-82.9	149.2	178.5	-70.6	-179.7	167.6	0	0	114	F402 R425	F402-E423 HydrophobicContact CE1-CG 4.19Å; F402-E423 WeakPolarHBondContact CE1-OE1 3.47Å; F402-E423 WeakPolarHBondContact CE1-OE2 3.47Å; F402-E423 HydrophobicContact CE2-CG 4.28Å; F402-E423 HydrophobicContact CZ-CB 3.92Å; F402-E423 HydrophobicContact CZ-CG 3.65Å; E423-R425 PolarHBondContact O-N 3.49Å
424	P	29.6	Very low	33.3	Very low	78 Å²	78	114.2 Å²	114.2	51%	0.506	63%	0.631	S	S	.	*	P	Polyproline II helix	trans	-77.9	118.9	-175.4	30	-35	0	0	0	113.8
425	R	28.9	Very low	33.7	Very low	246 Å²	246	109.5 Å²	109.5	93%	0.928	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-65.9	147.7	178.3	-70.2	-179.3	171.9	172.7	-1.2	113.8	E423	E423-R425 PolarHBondContact O-N 3.49Å
426	W	27.1	Very low	34.2	Very low	105 Å²	105	106.5 Å²	106.5	40%	0.398	58%	0.58	S	S	.	*			trans	-105.1	153.1	-178.8	-72.4	52.7	0	0	0	112.3	R604 L606	W426-R604 HydrophobicContact CH2-CB 3.57Å; W426-R604 HydrophobicContact CZ2-CB 4.13Å; W426-R604 HydrophobicContact CZ3-CB 3.86Å; W426-L606 HydrophobicContact CH2-CD2 3.5Å; W426-L606 VanDerWaalsContact CH2-CD2 3.5Å; W426-L606 HydrophobicContact CH2-CG 3.97Å; W426-L606 HydrophobicContact CZ2-CD2 4Å; W426-L606 HydrophobicContact CZ3-CD2 4Å; W426-L606 HydrophobicContact CZ3-CG 4.4Å
427	P	33.9	Very low	35.2	Very low	111 Å²	111	102 Å²	102	72%	0.721	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-73.9	137.1	176.4	30	-34.6	0	0	0	112.8
428	Q	39.4	Very low	36	Very low	188 Å²	188	98.5 Å²	98.5	88%	0.879	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-76.3	122.9	179.5	-101	-179.9	-14.4	0	0	112.6
429	V	41.3	Very low	37.1	Very low	55 Å²	55	90.9 Å²	90.9	33%	0.333	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-86.6	122.7	172.9	-178.1	0	0	0	0	109.5	A433 W434 A439	V429-A433 HydrophobicContact CG1-CB 4.35Å; V429-W434 HydrophobicContact CG1-CE3 4.34Å; V429-A439 HydrophobicContact CG1-CB 4.08Å
430	S	42.2	Very low	37.7	Very low	69 Å²	69	90.1 Å²	90.1	48%	0.483	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-71.8	145.3	-178	81.1	0	0	0	0	112.8	E432 A433 W434	S430-E432 PolarHBondContact O-N 3.31Å; S430-E432 VanDerWaalsContact O-N 3.08Å; S430-A433 PolarHBondContact O-N 2.86Å; S430-A433 PolarHBondContact OG-N 3.14Å; S430-W434 PolarHBondContact O-N 3.33Å
431	A	40.9	Very low	38.8	Very low	63 Å²	63	89.9 Å²	89.9	52%	0.521	48%	0.475	S	S	.	.	H	α-helix	trans	-55.7	-27.4	176.8	0	0	0	0	0	113	S435	A431-S435 VanDerWaalsContact O-CB 3.23Å; A431-S435 WeakPolarHBondContact O-CB 3.36Å; A431-S435 PolarHBondContact O-N 3.38Å
432	E	41.8	Very low	39.5	Very low	51 Å²	51	85.6 Å²	85.6	24%	0.238	44%	0.444	C	S	.	.	H	α-helix	trans	-77.4	-26.6	175.2	-54.3	-162.7	143.2	0	0	114.3	S430 R436 R794	S430-E432 PolarHBondContact O-N 3.31Å; S430-E432 VanDerWaalsContact O-N 3.08Å; E432-R436 VanDerWaalsContact O-CB 3.28Å; E432-R436 WeakPolarHBondContact O-CB 3.34Å; E432-R436 WeakPolarHBondContact O-CG 3.36Å; E432-R436 PolarHBondContact O-N 2.82Å; E432-R436 PolarHBondContact O-NE 3.47Å; E432-R436 IonicContact OE2-CZ 3.71Å; E432-R436 IonicContact OE2-NH2 3.72Å; E432-R436 PolarHBondContact OE2-NH2 3.07Å; E432-R794 IonicContact OE1-CZ 3.8Å; E432-R794 IonicContact OE1-NH1 2.67Å; E432-R794 PolarHBondContact OE1-NH1 2.9Å; E432-R794 VanDerWaalsContact OE1-NH1 3.16Å; E432-R794 IonicContact OE1-NH2 2.66Å; E432-R794 PolarHBondContact OE1-NH2 3.12Å
433	A	44.6	Very low	39.8	Very low	18 Å²	18	81 Å²	81	15%	0.149	43%	0.432	C	S	.	.	H	α-helix	trans	-76.6	-39.4	172	0	0	0	0	0	110.1	V429 S430 R436 G437 T438	V429-A433 HydrophobicContact CG1-CB 4.35Å; S430-A433 PolarHBondContact O-N 2.86Å; S430-A433 PolarHBondContact OG-N 3.14Å; A433-R436 CarbonylContact O-C 3.41Å; A433-R436 PolarHBondContact O-N 3.33Å; A433-G437 PolarHBondContact O-N 3.26Å; A433-T438 PolarHBondContact O-N 2.71Å; A433-T438 PolarHBondContact O-OG1 3.48Å
434	W	44.2	Very low	40.5	Very low	24 Å²	24	81.4 Å²	81.4	9%	0.091	44%	0.442	C	S	.	.	H	α-helix	trans	-62.9	-52	172.7	-163.4	-86.9	0	0	0	112.2	V429 S430 R436 G437 A439 L440 L655 N657 R660	V429-W434 HydrophobicContact CG1-CE3 4.34Å; S430-W434 PolarHBondContact O-N 3.33Å; W434-R436 PolarHBondContact O-N 2.96Å; W434-G437 WeakPolarHBondContact O-CA 3.49Å; W434-G437 PolarHBondContact O-N 3.45Å; W434-A439 HydrophobicContact CD2-CB 4.15Å; W434-A439 HydrophobicContact CE3-CB 3.37Å; W434-A439 HydrophobicContact CZ3-CB 3.72Å; W434-L440 HydrophobicContact CH2-CD1 4.04Å; W434-L440 HydrophobicContact CZ3-CD1 4.47Å; W434-L655 HydrophobicContact CH2-CD2 4.09Å; W434-L655 HydrophobicContact CZ2-CD2 3.67Å; W434-N657 VanDerWaalsContact CD1-ND2 3.26Å; W434-R660 PolarHBondContact O-NH2 3.2Å
435	S	40	Very low	41.2	Very low	17 Å²	17	81.3 Å²	81.3	12%	0.119	44%	0.444	C	S	.	.	H	α-helix	trans	-65.5	-26.2	179.2	-165.2	0	0	0	0	112.2	A431 G437 R660 R827	A431-S435 VanDerWaalsContact O-CB 3.23Å; A431-S435 WeakPolarHBondContact O-CB 3.36Å; A431-S435 PolarHBondContact O-N 3.38Å; S435-G437 VanDerWaalsContact C-N 3.3Å; S435-G437 PolarHBondContact O-N 2.97Å; S435-R660 VanDerWaalsContact C-NH2 3.29Å; S435-R660 PolarHBondContact O-NE 2.75Å; S435-R660 PolarHBondContact O-NH2 3.4Å; S435-R827 WeakPolarHBondContact O-CD 3.26Å
436	R	46	Very low	42.1	Very low	135 Å²	135	71.1 Å²	71.1	51%	0.509	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	2.9	167.9	-75.7	179.9	-78.2	-154	-7.7	115.5	E432 A433 W434 T438 R827	E432-R436 VanDerWaalsContact O-CB 3.28Å; E432-R436 WeakPolarHBondContact O-CB 3.34Å; E432-R436 WeakPolarHBondContact O-CG 3.36Å; E432-R436 PolarHBondContact O-N 2.82Å; E432-R436 PolarHBondContact O-NE 3.47Å; E432-R436 IonicContact OE2-CZ 3.71Å; E432-R436 IonicContact OE2-NH2 3.72Å; E432-R436 PolarHBondContact OE2-NH2 3.07Å; A433-R436 CarbonylContact O-C 3.41Å; A433-R436 PolarHBondContact O-N 3.33Å; W434-R436 PolarHBondContact O-N 2.96Å; R436-T438 PolarHBondContact O-N 3.13Å; R436-R827 VanDerWaalsContact C-CZ 3.48Å; R436-R827 PolarHBondContact O-NH1 2.56Å; R436-R827 PolarHBondContact O-NH2 2.71Å
437	G	43.6	Very low	42.9	Very low	24 Å²	24	71.3 Å²	71.3	25%	0.247	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.5	20.6	173.7	0	0	0	0	0	114.2	A433 W434 S435	A433-G437 PolarHBondContact O-N 3.26Å; W434-G437 WeakPolarHBondContact O-CA 3.49Å; W434-G437 PolarHBondContact O-N 3.45Å; S435-G437 VanDerWaalsContact C-N 3.3Å; S435-G437 PolarHBondContact O-N 2.97Å
438	T	48.6	Very low	43.5	Very low	61 Å²	61	68.7 Å²	68.7	37%	0.374	40%	0.404	S	S	.	.			trans	-108.2	28.2	179.9	51.5	0	0	0	0	111.2	A433 R436 K601	A433-T438 PolarHBondContact O-N 2.71Å; A433-T438 PolarHBondContact O-OG1 3.48Å; R436-T438 PolarHBondContact O-N 3.13Å; T438-K601 PolarHBondContact O-NZ 3.08Å
439	A	47.8	Very low	43.7	Very low	23 Å²	23	64.2 Å²	64.2	19%	0.19	39%	0.385	C	S	.	.	S	Bend	trans	-91.1	-31	178.8	0	0	0	0	0	113.1	V429 W434	V429-A439 HydrophobicContact CG1-CB 4.08Å; W434-A439 HydrophobicContact CD2-CB 4.15Å; W434-A439 HydrophobicContact CE3-CB 3.37Å; W434-A439 HydrophobicContact CZ3-CB 3.72Å
440	L	43.8	Very low	43.4	Very low	101 Å²	101	72.5 Å²	72.5	53%	0.529	41%	0.41	S	S	.	.			trans	-135.8	134.8	-179.4	-60.2	172.6	0	0	0	109.3	W434 L449	W434-L440 HydrophobicContact CH2-CD1 4.04Å; W434-L440 HydrophobicContact CZ3-CD1 4.47Å; L440-L449 HydrophobicContact CB-CD1 4.21Å
441	T	46.2	Very low	43.1	Very low	57 Å²	57	75 Å²	75	35%	0.35	43%	0.425	S	S	.	.	B	Isolated β-bridge	trans	-143.2	153.5	-176.4	49.1	0	0	0	0	109.4	E447	T441-E447 CarbonylContact C-O 3.58Å; T441-E447 VanDerWaalsContact CA-O 3.26Å; T441-E447 WeakPolarHBondContact CA-O 3.36Å; T441-E447 WeakPolarHBondContact CB-O 3.15Å
442	D	41.6	Very low	42.4	Very low	45 Å²	45	78.1 Å²	78.1	24%	0.241	44%	0.437	C	S	.	.			trans	-64.7	127.8	173.7	167	23.4	0	0	0	110.4	V444 S445 G446 E447 L449	D442-V444 PolarHBondContact O-N 3.22Å; D442-V444 PolarHBondContact OD1-N 3.41Å; D442-S445 WeakPolarHBondContact CB-OG 3.24Å; D442-S445 WeakPolarHBondContact OD2-CB 3.4Å; D442-S445 PolarHBondContact OD2-N 3.26Å; D442-S445 PolarHBondContact OD2-OG 3.36Å; D442-G446 WeakPolarHBondContact O-CA 3.24Å; D442-G446 PolarHBondContact O-N 2.91Å; D442-E447 PolarHBondContact N-O 3.29Å; D442-L449 HydrophobicContact CB-CD2 3.85Å
443	P	39.3	Very low	41.7	Very low	102 Å²	102	82.5 Å²	82.5	66%	0.662	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-17.1	177.5	27.1	-36.3	0	0	0	114.7
444	V	40.1	Very low	41.1	Very low	136 Å²	136	88 Å²	88	82%	0.824	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-51.8	180	-173.6	0	0	0	0	112.2	D442	D442-V444 PolarHBondContact O-N 3.22Å; D442-V444 PolarHBondContact OD1-N 3.41Å
445	S	42.9	Very low	40.2	Very low	77 Å²	77	96.2 Å²	96.2	54%	0.538	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-20.7	-178.3	66.8	0	0	0	0	115.2	D442 E447	D442-S445 WeakPolarHBondContact CB-OG 3.24Å; D442-S445 WeakPolarHBondContact OD2-CB 3.4Å; D442-S445 PolarHBondContact OD2-N 3.26Å; D442-S445 PolarHBondContact OD2-OG 3.36Å; S445-E447 PolarHBondContact O-N 3.13Å
446	G	48.8	Very low	39.4	Very low	31 Å²	31	106.8 Å²	106.8	32%	0.32	57%	0.569	S	S	.	*			trans	75	-1.4	-177.3	0	0	0	0	0	115.8	D442	D442-G446 WeakPolarHBondContact O-CA 3.24Å; D442-G446 PolarHBondContact O-N 2.91Å
447	E	43.8	Very low	38.9	Very low	109 Å²	109	105.7 Å²	105.7	51%	0.509	58%	0.579	S	S	.	*	S	Bend	trans	-77.3	157	175.3	-78.3	-68.1	146.3	0	0	112.2	T441 D442 S445 L449	T441-E447 CarbonylContact C-O 3.58Å; T441-E447 VanDerWaalsContact CA-O 3.26Å; T441-E447 WeakPolarHBondContact CA-O 3.36Å; T441-E447 WeakPolarHBondContact CB-O 3.15Å; D442-E447 PolarHBondContact N-O 3.29Å; S445-E447 PolarHBondContact O-N 3.13Å; E447-L449 PolarHBondContact O-N 3.25Å
448	P	47	Very low	38.1	Very low	57 Å²	57	112.1 Å²	112.1	37%	0.37	61%	0.608	S	S	.	*	B	Isolated β-bridge	trans	-63.4	128.5	171.7	-18.8	33	0	0	0	111.2	R450	P448-R450 PolarHBondContact O-N 2.99Å
449	L	42.2	Very low	37.6	Very low	93 Å²	93	114.5 Å²	114.5	49%	0.487	63%	0.625	S	S	.	*	P	Polyproline II helix	trans	-54.7	124.2	-170.2	-77.5	164.2	0	0	0	113.6	L440 D442 E447	L440-L449 HydrophobicContact CB-CD1 4.21Å; D442-L449 HydrophobicContact CB-CD2 3.85Å; E447-L449 PolarHBondContact O-N 3.25Å
450	R	36.8	Very low	36.5	Very low	229 Å²	229	121.6 Å²	121.6	86%	0.864	65%	0.654	S	S	*	*			trans	-112.3	157.9	160.5	-72.8	-171.4	178	-157.8	-0	108.3	P448	P448-R450 PolarHBondContact O-N 2.99Å
451	P	34.3	Very low	35.6	Very low	122 Å²	122	121.4 Å²	121.4	79%	0.792	66%	0.657	S	S	*	*			trans	-62.9	156.5	-168.8	22.9	-33.9	0	0	0	114.4
452	V	27.1	Very low	34.5	Very low	129 Å²	129	127.2 Å²	127.2	78%	0.782	68%	0.677	S	S	*	*			trans	-63	133.2	-164.3	179.9	0	0	0	0	114	I454	V452-I454 HydrophobicContact CG1-CG1 4.05Å
453	V	26.1	Very low	33.8	Very low	142 Å²	142	136.3 Å²	136.3	86%	0.861	71%	0.708	S	S	*	*			trans	-136.4	143.7	155.7	-176.2	0	0	0	0	107.1
454	I	34	Very low	33.2	Very low	135 Å²	135	135.5 Å²	135.5	69%	0.692	71%	0.705	S	S	*	*			trans	-110.9	135.5	-170.9	-59.4	170.7	0	0	0	110	V452	V452-I454 HydrophobicContact CG1-CG1 4.05Å
455	H	24.8	Very low	32.5	Very low	196 Å²	196	132 Å²	132	91%	0.907	70%	0.696	S	S	*	*			trans	-175.5	176.9	146.4	-95.3	-60.2	0	0	0	111.7
456	R	23.3	Very low	31.9	Very low	239 Å²	239	135.6 Å²	135.6	90%	0.902	71%	0.709	S	S	*	*			trans	-130	175	-173.5	-75.5	176.9	163.3	172.7	-6.1	109.9
457	P	33.7	Very low	30.9	Very low	111 Å²	111	137 Å²	137	72%	0.721	72%	0.718	S	S	*	*			cis	-137.7	147.8	-47.8	38	-21.4	0	0	0	115.5
458	D	27.5	Very low	30.3	Very low	160 Å²	160	139.5 Å²	139.5	86%	0.856	73%	0.733	S	S	*	*			trans	57.8	166.7	157.4	-96.6	-19.3	0	0	0	120.7
459	P	39.4	Very low	29.3	Very low	111 Å²	111	142.2 Å²	142.2	72%	0.721	75%	0.749	S	S	*	*			cis	-128.8	-176.2	4.9	42.4	-26.5	0	0	0	117.6
460	E	23.6	Very low	28.7	Very low	172 Å²	172	145.8 Å²	145.8	80%	0.804	76%	0.763	S	S	*	*			trans	102.1	122.7	151.3	-82.3	-151.7	-176.8	0	0	123.9
461	V	24.6	Very low	28.4	Very low	97 Å²	97	143.9 Å²	143.9	59%	0.588	76%	0.761	S	S	*	*			trans	97.3	106.5	131.9	164.4	0	0	0	0	123.3
462	K	23.2	Very low	28.1	Very low	178 Å²	178	149.8 Å²	149.8	77%	0.774	77%	0.768	S	S	*	*			trans	67.6	108.6	142.2	-67.1	170.6	-165	155.2	0	123
463	R	27.6	Very low	28.5	Very low	236 Å²	236	148.2 Å²	148.2	89%	0.891	77%	0.768	S	S	*	*				48.4	125.5	129	-62.7	-179.6	175.5	179.2	0.1	119.8
464	S	25.9	Very low	28.9	Very low	85 Å²	85	144.3 Å²	144.3	59%	0.594	75%	0.751	S	S	*	*				165.8	119.2	103.3	41.8	0	0	0	0	117.4	K596	S464-K596 PolarHBondContact OG-NZ 3.16Å
465	G	26.8	Very low	28.8	Very low	63 Å²	63	144 Å²	144	65%	0.649	75%	0.749	S	S	*	*				73.8	107.2	124.1	0	0	0	0	0	122.8
466	N	28.3	Very low	29.5	Very low	152 Å²	152	136.3 Å²	136.3	81%	0.813	72%	0.716	S	S	*	*			trans	45.2	126.3	133	-53.4	-0.3	0	0	0	121.4
467	A	29.8	Very low	30.1	Very low	61 Å²	61	128.5 Å²	128.5	50%	0.504	70%	0.703	S	S	.	*				159.8	127.4	106	0	0	0	0	0	116.4
468	I	29.7	Very low	30.3	Very low	161 Å²	161	125 Å²	125	83%	0.826	68%	0.676	S	S	*	*			trans	63.5	101.5	130.7	-56.9	172.3	0	0	0	118.6
469	T	26.9	Very low	30.9	Very low	114 Å²	114	120.3 Å²	120.3	70%	0.699	65%	0.651	S	S	*	*			trans	-72.4	154.8	131.6	48.2	0	0	0	0	108.7
470	E	29.1	Very low	30.9	Very low	168 Å²	168	121.9 Å²	121.9	79%	0.785	65%	0.65	S	S	*	*			cis	-153.9	164.7	21.3	-145.2	153.8	-98.8	0	0	110.8
471	K	29.6	Very low	31.7	Very low	189 Å²	189	119 Å²	119	82%	0.822	64%	0.64	S	S	*	*			trans	-145.6	135.9	170.9	-77.7	-176	-173.1	142.6	0	112.2
472	R	29	Very low	32.3	Very low	247 Å²	247	116.1 Å²	116.1	93%	0.932	62%	0.624	S	S	*	*			trans	-70.2	160.7	162.4	-71.2	-178.7	171.8	177.1	-3.5	110.9
473	A	35.7	Very low	33.1	Very low	95 Å²	95	113.6 Å²	113.6	79%	0.785	63%	0.628	S	S	*	*			trans	-35	129.1	-168.9	0	0	0	0	0	116.1
474	A	33.9	Very low	33.8	Very low	60 Å²	60	110.1 Å²	110.1	50%	0.496	62%	0.615	S	S	.	*	P	Polyproline II helix	trans	-80.2	117.2	165.3	0	0	0	0	0	109.8
475	L	32.1	Very low	34.5	Very low	128 Å²	128	110.3 Å²	110.3	67%	0.67	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-53.4	138.7	157.2	-80.2	156.1	0	0	0	108.9	D479	L475-D479 HydrophobicContact CD2-CB 4Å
476	T	39.3	Very low	35.2	Very low	35 Å²	35	112.1 Å²	112.1	22%	0.215	62%	0.616	C	S	.	*	P	Polyproline II helix	trans	-75.6	154.2	171.1	72.6	0	0	0	0	109.3	Y478 D479	T476-Y478 PolarHBondContact O-N 3.35Å; T476-Y478 VanDerWaalsContact O-N 3.13Å; T476-D479 WeakPolarHBondContact CB-OD2 3.21Å; T476-D479 PolarHBondContact N-OD2 2.96Å; T476-D479 PolarHBondContact O-N 2.93Å; T476-D479 PolarHBondContact OG1-N 2.88Å; T476-D479 PolarHBondContact OG1-OD2 2.64Å
477	A	36.7	Very low	36.3	Very low	76 Å²	76	115.5 Å²	115.5	63%	0.628	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.8	-22.5	176.1	0	0	0	0	0	112.3	I481	A477-I481 WeakPolarHBondContact O-CD1 3.1Å; A477-I481 WeakPolarHBondContact O-CG1 3.39Å
478	Y	37.8	Very low	37.7	Very low	38 Å²	38	118.6 Å²	118.6	15%	0.149	63%	0.63	C	S	.	*	T	Hydrogen-bonded Turn	trans	-73.6	-41	178.6	-175.6	-118.8	0	0	0	112.8	T476 M480 I481 S482 Y784 E788	T476-Y478 PolarHBondContact O-N 3.35Å; T476-Y478 VanDerWaalsContact O-N 3.13Å; Y478-M480 PolarHBondContact O-N 2.85Å; Y478-M480 VanDerWaalsContact O-N 3.08Å; Y478-I481 PolarHBondContact O-N 3.41Å; Y478-S482 PolarHBondContact O-N 3.07Å; Y478-S482 VanDerWaalsContact O-N 3.08Å; Y478-S482 PolarHBondContact O-OG 3.43Å; Y478-Y784 HydrophobicContact CD2-CE2 4.48Å; Y478-Y784 HydrophobicContact CE1-CE2 4.38Å; Y478-Y784 HydrophobicContact CE2-CD2 4.06Å; Y478-Y784 AromaticContact CE2-CE2 3.57Å; Y478-Y784 HydrophobicContact CE2-CE2 3.57Å; Y478-Y784 AromaticContact CZ-CE2 3.51Å; Y478-Y784 WeakPolarHBondContact OH-CE2 3.3Å; Y478-Y784 PolarHBondContact OH-OH 2.88Å; Y478-E788 WeakPolarHBondContact CE1-OE2 3.15Å
479	D	39.1	Very low	39.7	Very low	61 Å²	61	112 Å²	112	33%	0.326	60%	0.597	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61.1	-17.9	175.5	-54.4	-54.7	0	0	0	113.1	L475 T476 R791	L475-D479 HydrophobicContact CD2-CB 4Å; T476-D479 WeakPolarHBondContact CB-OD2 3.21Å; T476-D479 PolarHBondContact N-OD2 2.96Å; T476-D479 PolarHBondContact O-N 2.93Å; T476-D479 PolarHBondContact OG1-N 2.88Å; T476-D479 PolarHBondContact OG1-OD2 2.64Å; D479-R791 WeakPolarHBondContact OD1-CD 3.41Å
480	M	40.4	Very low	42	Very low	144 Å²	144	109.2 Å²	109.2	71%	0.709	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	-7.7	178.8	-63.2	-172.5	61.2	0	0	113.8	Y478	Y478-M480 PolarHBondContact O-N 2.85Å; Y478-M480 VanDerWaalsContact O-N 3.08Å
481	I	40.8	Very low	44.7	Very low	112 Å²	112	104.6 Å²	104.6	57%	0.574	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.9	-39.2	-174.9	-65.9	170.5	0	0	0	110.9	A477 Y478 S483	A477-I481 WeakPolarHBondContact O-CD1 3.1Å; A477-I481 WeakPolarHBondContact O-CG1 3.39Å; Y478-I481 PolarHBondContact O-N 3.41Å; I481-S483 PolarHBondContact O-N 3.46Å
482	S	36.8	Very low	47.4	Very low	36 Å²	36	96.3 Å²	96.3	25%	0.252	53%	0.534	S	S	.	.			trans	-81.3	97.9	175.7	56.9	0	0	0	0	111.3	Y478 R484	Y478-S482 PolarHBondContact O-N 3.07Å; Y478-S482 VanDerWaalsContact O-N 3.08Å; Y478-S482 PolarHBondContact O-OG 3.43Å; S482-R484 PolarHBondContact O-N 3.32Å
483	S	40.8	Very low	50	Low	125 Å²	125	86.2 Å²	86.2	87%	0.874	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	28.2	-178.5	52.7	0	0	0	0	115.1	I481	I481-S483 PolarHBondContact O-N 3.46Å
484	R	41.6	Very low	52.1	Low	163 Å²	163	84.2 Å²	84.2	62%	0.615	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.8	2.2	-174.2	-61.5	-167.7	-172.4	-157.3	8.9	115	S482 L486 D748	S482-R484 PolarHBondContact O-N 3.32Å; R484-L486 PolarHBondContact O-N 3.33Å; R484-D748 IonicContact NH2-OD1 3.78Å; R484-D748 IonicContact NH2-OD2 2.73Å; R484-D748 PolarHBondContact NH2-OD2 3.35Å
485	A	39.6	Very low	54.4	Low	89 Å²	89	82.8 Å²	82.8	74%	0.736	47%	0.468	S	S	*	.			trans	-75.7	62.5	178.7	0	0	0	0	0	113.4	R487	A485-R487 PolarHBondContact O-N 3.07Å; A485-R487 VanDerWaalsContact O-N 3.08Å
486	L	42.4	Very low	57.1	Low	101 Å²	101	77.2 Å²	77.2	53%	0.529	44%	0.438	S	S	.	.			trans	-65.6	104.3	169	-74.2	175.5	0	0	0	109.5	R484	R484-L486 PolarHBondContact O-N 3.33Å
487	R	52.2	Low	59.1	Low	222 Å²	222	78.8 Å²	78.8	84%	0.838	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-70.5	134.3	173.2	-65.7	-175.7	-178.5	-179.7	-0.1	110	A485 H546	A485-R487 PolarHBondContact O-N 3.07Å; A485-R487 VanDerWaalsContact O-N 3.08Å; R487-H546 PolarHBondContact O-CE1 3.22Å; R487-H546 VanDerWaalsContact O-CE1 3.23Å; R487-H546 PolarHBondContact O-ND1 3.41Å
488	V	58.4	Low	61.1	Low	127 Å²	127	83.3 Å²	83.3	77%	0.77	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-55.8	134.5	167.3	-175.4	0	0	0	0	108.8
489	P	70.8	Confident	63.2	Low	21 Å²	21	85.5 Å²	85.5	14%	0.136	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-65.4	142.7	176.2	27.8	-34.3	0	0	0	110.7	Q543 H546	P489-Q543 HydrophobicContact CG-CB 4.5Å; P489-H546 HydrophobicContact CG-CB 4.23Å
490	P	75.4	Confident	65.2	Low	56 Å²	56	83.1 Å²	83.1	36%	0.364	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-72	142.3	180	30.5	-35.7	0	0	0	111.7	L495	P490-L495 HydrophobicContact CB-CD2 4.13Å; P490-L495 HydrophobicContact CB-CG 4.09Å; P490-L495 HydrophobicContact CG-CD1 4.33Å; P490-L495 HydrophobicContact CG-CD2 3.53Å; P490-L495 HydrophobicContact CG-CG 3.81Å
491	S	85.9	Confident	67	Low	71 Å²	71	78.6 Å²	78.6	50%	0.497	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-67.8	163.2	174.7	66.8	0	0	0	0	112.3	A493 S494 L495	S491-A493 VanDerWaalsContact C-N 3.31Å; S491-A493 PolarHBondContact O-N 2.94Å; S491-S494 PolarHBondContact O-N 3.4Å; S491-S494 WeakPolarHBondContact OG-CB 3.49Å; S491-S494 PolarHBondContact OG-N 3.1Å; S491-L495 PolarHBondContact O-N 3.13Å
492	A	86.3	Confident	68.7	Low	15 Å²	15	76.3 Å²	76.3	12%	0.124	42%	0.417	C	S	.	.	H	α-helix	trans	-54.1	-46.1	177.2	0	0	0	0	0	112.4	L495 F496 W524 F535 E536 A539	A492-L495 PolarHBondContact O-N 3.14Å; A492-F496 PolarHBondContact O-N 3.05Å; A492-W524 HydrophobicContact CB-CH2 3.89Å; A492-W524 HydrophobicContact CB-CZ2 4.36Å; A492-F535 HydrophobicContact CB-CB 4.12Å; A492-E536 HydrophobicContact CB-CG 3.99Å; A492-A539 HydrophobicContact CB-CB 4.17Å
493	A	83.4	Confident	70.7	Confident	35 Å²	35	78.7 Å²	78.7	29%	0.289	42%	0.424	S	S	.	.	H	α-helix	trans	-64.8	-37.1	176.1	0	0	0	0	0	112.8	S491 F496 E497 W524	S491-A493 VanDerWaalsContact C-N 3.31Å; S491-A493 PolarHBondContact O-N 2.94Å; A493-F496 PolarHBondContact O-N 3.2Å; A493-E497 WeakPolarHBondContact O-CB 3.23Å; A493-E497 PolarHBondContact O-N 3.12Å; A493-W524 HydrophobicContact CB-CD2 4.26Å; A493-W524 HydrophobicContact CB-CZ2 3.88Å
494	S	80.4	Confident	72.4	Confident	53 Å²	53	72.9 Å²	72.9	37%	0.371	38%	0.384	S	S	.	.	H	α-helix	trans	-70.8	-34.3	176.6	-176.7	0	0	0	0	112.6	S491 K498	S491-S494 PolarHBondContact O-N 3.4Å; S491-S494 WeakPolarHBondContact OG-CB 3.49Å; S491-S494 PolarHBondContact OG-N 3.1Å; S494-K498 WeakPolarHBondContact O-CB 3.42Å; S494-K498 PolarHBondContact O-N 3.18Å
495	L	82.9	Confident	73.8	Confident	31 Å²	31	68.8 Å²	68.8	16%	0.162	37%	0.373	C	S	.	.	H	α-helix	trans	-66.5	-44.1	170.8	-73.6	174.2	0	0	0	111.5	P490 S491 A492 K498 E499 F535 K538 A539	P490-L495 HydrophobicContact CB-CD2 4.13Å; P490-L495 HydrophobicContact CB-CG 4.09Å; P490-L495 HydrophobicContact CG-CD1 4.33Å; P490-L495 HydrophobicContact CG-CD2 3.53Å; P490-L495 HydrophobicContact CG-CG 3.81Å; S491-L495 PolarHBondContact O-N 3.13Å; A492-L495 PolarHBondContact O-N 3.14Å; L495-K498 PolarHBondContact O-N 3.16Å; L495-E499 PolarHBondContact O-N 3.19Å; L495-F535 HydrophobicContact CB-CD1 4.01Å; L495-K538 HydrophobicContact CD1-CB 3.89Å; L495-A539 HydrophobicContact CD1-CB 4.19Å
496	F	87.8	Confident	75.4	Confident	11 Å²	11	71.4 Å²	71.4	5%	0.048	37%	0.372	C	S	.	.	H	α-helix	trans	-61.8	-48.3	174.5	179	-95.8	0	0	0	111.8	A492 A493 K498 E499 T500 V520 R523 W524 L527 F535	A492-F496 PolarHBondContact O-N 3.05Å; A493-F496 PolarHBondContact O-N 3.2Å; F496-K498 VanDerWaalsContact C-N 3.28Å; F496-K498 PolarHBondContact O-N 3.44Å; F496-E499 PolarHBondContact O-N 3.26Å; F496-E499 VanDerWaalsContact O-N 3.11Å; F496-T500 HydrophobicContact CE1-CG2 4.21Å; F496-T500 HydrophobicContact CZ-CG2 4.09Å; F496-T500 PolarHBondContact O-N 2.82Å; F496-V520 HydrophobicContact CD1-CG1 4.34Å; F496-V520 HydrophobicContact CE1-CG1 4.3Å; F496-R523 HydrophobicContact CE1-CB 4.09Å; F496-R523 HydrophobicContact CZ-CB 3.95Å; F496-W524 HydrophobicContact CB-CE3 3.54Å; F496-W524 HydrophobicContact CB-CZ3 3.61Å; F496-W524 HydrophobicContact CD1-CB 3.84Å; F496-W524 HydrophobicContact CD1-CD2 4.19Å; F496-W524 AromaticContact CD1-CE3 3.57Å; F496-W524 HydrophobicContact CD1-CE3 3.57Å; F496-W524 HydrophobicContact CD1-CG 4.35Å; F496-W524 HydrophobicContact CD1-CZ3 4.46Å; F496-W524 AromaticContact CD2-CE3 3.86Å; F496-W524 HydrophobicContact CD2-CE3 3.86Å; F496-W524 HydrophobicContact CD2-CZ3 4.15Å; F496-W524 HydrophobicContact CE1-CB 3.72Å; F496-W524 HydrophobicContact CE1-CE3 4.19Å; F496-W524 HydrophobicContact CE2-CE3 4.44Å; F496-W524 HydrophobicContact CG-CD2 4.38Å; F496-W524 AromaticContact CG-CE3 3.37Å; F496-W524 HydrophobicContact CG-CE3 3.37Å; F496-W524 AromaticContact CG-CZ3 3.84Å; F496-W524 HydrophobicContact CG-CZ3 3.84Å; F496-L527 HydrophobicContact CD2-CD2 3.89Å; F496-L527 HydrophobicContact CE2-CD1 4.01Å; F496-L527 HydrophobicContact CE2-CD2 3.76Å; F496-L527 HydrophobicContact CE2-CG 4.43Å; F496-L527 HydrophobicContact CZ-CD2 4.46Å; F496-F535 HydrophobicContact CB-CD1 3.97Å; F496-F535 HydrophobicContact CB-CE1 4.08Å; F496-F535 HydrophobicContact CB-CG 4.2Å; F496-F535 HydrophobicContact CB-CZ 4.44Å; F496-F535 HydrophobicContact CD2-CD2 4.03Å; F496-F535 HydrophobicContact CD2-CE1 4.35Å; F496-F535 AromaticContact CD2-CE2 3.69Å; F496-F535 HydrophobicContact CD2-CE2 3.69Å; F496-F535 AromaticContact CD2-CZ 3.86Å; F496-F535 HydrophobicContact CD2-CZ 3.86Å; F496-F535 HydrophobicContact CE2-CE2 4.44Å
497	E	82.4	Confident	77	Confident	68 Å²	68	71.9 Å²	71.9	32%	0.318	37%	0.372	S	S	.	.	H	α-helix	trans	-54.5	-48.8	175.9	175.4	-176.8	-172.9	0	0	110.3	A493 E499 T500 R501 V520	A493-E497 WeakPolarHBondContact O-CB 3.23Å; A493-E497 PolarHBondContact O-N 3.12Å; E497-E499 PolarHBondContact O-N 3.44Å; E497-T500 PolarHBondContact O-N 2.8Å; E497-R501 HydrophobicContact CG-CB 4.26Å; E497-R501 WeakPolarHBondContact O-CA 3.31Å; E497-R501 WeakPolarHBondContact O-CB 3.43Å; E497-R501 PolarHBondContact O-N 3.45Å; E497-R501 IonicContact OE1-CZ 3.71Å; E497-R501 IonicContact OE1-NH1 3.45Å; E497-R501 PolarHBondContact OE1-NH1 2.77Å; E497-V520 HydrophobicContact CB-CG1 3.96Å; E497-V520 HydrophobicContact CG-CG1 3.99Å
498	K	77.8	Confident	78.2	Confident	171 Å²	171	69 Å²	69	74%	0.743	36%	0.361	S	S	*	.	H	α-helix	trans	-61.5	-31.1	-177.9	-169.8	-174.7	174.1	-164.8	0	113.5	S494 L495 F496	S494-K498 WeakPolarHBondContact O-CB 3.42Å; S494-K498 PolarHBondContact O-N 3.18Å; L495-K498 PolarHBondContact O-N 3.16Å; F496-K498 VanDerWaalsContact C-N 3.28Å; F496-K498 PolarHBondContact O-N 3.44Å
499	E	82.7	Confident	78.9	Confident	84 Å²	84	68.2 Å²	68.2	39%	0.393	36%	0.358	S	S	.	.	H	α-helix	trans	-76	-63.1	175.7	-137.6	154.8	128.5	0	0	109.1	L495 F496 E497 R501 S502 F535 K538	L495-E499 PolarHBondContact O-N 3.19Å; F496-E499 PolarHBondContact O-N 3.26Å; F496-E499 VanDerWaalsContact O-N 3.11Å; E497-E499 PolarHBondContact O-N 3.44Å; E499-R501 PolarHBondContact O-N 3.48Å; E499-S502 PolarHBondContact O-N 2.89Å; E499-S502 PolarHBondContact O-OG 3.12Å; E499-F535 HydrophobicContact CB-CE1 4.48Å; E499-F535 WeakPolarHBondContact OE2-CE1 3.29Å; E499-K538 IonicContact OE1-NZ 3.74Å; E499-K538 PolarHBondContact OE1-NZ 3.33Å; E499-K538 IonicContact OE2-NZ 3.69Å; E499-K538 PolarHBondContact OE2-NZ 3.01Å
500	T	81.4	Confident	79.1	Confident	10 Å²	10	72.1 Å²	72.1	6%	0.061	39%	0.392	C	S	.	.	H	α-helix	trans	-73.9	-22	-171	-61.5	0	0	0	0	115	F496 E497 S502 E503 V504 V520 R523	F496-T500 HydrophobicContact CE1-CG2 4.21Å; F496-T500 HydrophobicContact CZ-CG2 4.09Å; F496-T500 PolarHBondContact O-N 2.82Å; E497-T500 PolarHBondContact O-N 2.8Å; T500-S502 PolarHBondContact O-N 2.83Å; T500-E503 WeakPolarHBondContact CA-OE2 3.43Å; T500-E503 WeakPolarHBondContact O-CB 3.34Å; T500-E503 PolarHBondContact O-N 2.84Å; T500-E503 VanDerWaalsContact O-N 3.09Å; T500-E503 PolarHBondContact OG1-OE2 2.96Å; T500-V504 HydrophobicContact CG2-CG2 4.16Å; T500-V504 PolarHBondContact O-N 3.47Å; T500-V520 HydrophobicContact CG2-CG2 4.4Å; T500-R523 HydrophobicContact CG2-CB 4.39Å
501	R	76.8	Confident	78.9	Confident	49 Å²	49	70.4 Å²	70.4	19%	0.185	38%	0.383	C	S	.	.	H	α-helix	trans	-60.6	-29.2	173.1	-176.1	169.5	-164.1	103.7	24.6	112.5	E497 E499 L505 L513 V516 V520	E497-R501 HydrophobicContact CG-CB 4.26Å; E497-R501 WeakPolarHBondContact O-CA 3.31Å; E497-R501 WeakPolarHBondContact O-CB 3.43Å; E497-R501 PolarHBondContact O-N 3.45Å; E497-R501 IonicContact OE1-CZ 3.71Å; E497-R501 IonicContact OE1-NH1 3.45Å; E497-R501 PolarHBondContact OE1-NH1 2.77Å; E499-R501 PolarHBondContact O-N 3.48Å; R501-L505 HydrophobicContact CG-CD1 4.24Å; R501-L505 WeakPolarHBondContact O-CB 3.2Å; R501-L505 WeakPolarHBondContact O-CD1 3.04Å; R501-L505 VanDerWaalsContact O-CG 3.31Å; R501-L505 WeakPolarHBondContact O-CG 3.25Å; R501-L505 PolarHBondContact O-N 3.32Å; R501-L513 VanDerWaalsContact NH2-CD2 3.32Å; R501-L513 PolarHBondContact NH2-O 3.49Å; R501-L513 VanDerWaalsContact NH2-O 3.1Å; R501-V516 HydrophobicContact CG-CG1 3.76Å; R501-V520 HydrophobicContact CB-CG2 4.14Å
502	S	76.3	Confident	78.5	Confident	65 Å²	65	69.1 Å²	69.1	46%	0.455	37%	0.374	S	S	.	.	H	α-helix	trans	-71.3	-37.6	174.7	70.9	0	0	0	0	112.4	E499 T500 L505 M506	E499-S502 PolarHBondContact O-N 2.89Å; E499-S502 PolarHBondContact O-OG 3.12Å; T500-S502 PolarHBondContact O-N 2.83Å; S502-L505 PolarHBondContact O-N 3.4Å; S502-M506 WeakPolarHBondContact O-CG 3.28Å; S502-M506 PolarHBondContact O-N 2.85Å; S502-M506 VanDerWaalsContact O-N 3.14Å
503	E	79	Confident	77.4	Confident	85 Å²	85	75.1 Å²	75.1	40%	0.397	40%	0.403	S	S	.	.	H	α-helix	trans	-68.6	-49.3	178.5	-56.5	169	155.3	0	0	110.8	T500 L505 M506 E507	T500-E503 WeakPolarHBondContact CA-OE2 3.43Å; T500-E503 WeakPolarHBondContact O-CB 3.34Å; T500-E503 PolarHBondContact O-N 2.84Å; T500-E503 VanDerWaalsContact O-N 3.09Å; T500-E503 PolarHBondContact OG1-OE2 2.96Å; E503-L505 PolarHBondContact O-N 3.29Å; E503-M506 WeakPolarHBondContact O-CA 3.44Å; E503-M506 PolarHBondContact O-N 3Å; E503-E507 PolarHBondContact O-N 3.25Å
504	V	76.4	Confident	76.7	Confident	4 Å²	4	81.1 Å²	81.1	2%	0.024	43%	0.425	C	S	.	.	H	α-helix	trans	-59.7	-35.1	177	172.3	0	0	0	0	111.9	T500 R508 V516 A519 V520	T500-V504 HydrophobicContact CG2-CG2 4.16Å; T500-V504 PolarHBondContact O-N 3.47Å; V504-R508 PolarHBondContact O-N 3.4Å; V504-V516 HydrophobicContact CG1-CB 4.3Å; V504-V516 HydrophobicContact CG1-CG1 4.03Å; V504-V516 HydrophobicContact CG1-CG2 4.28Å; V504-A519 HydrophobicContact CG1-CB 3.81Å; V504-A519 HydrophobicContact CG2-CB 4.48Å; V504-V520 HydrophobicContact CB-CG2 4.14Å; V504-V520 HydrophobicContact CG2-CG2 3.8Å
505	L	72.1	Confident	76.4	Confident	76 Å²	76	83.1 Å²	83.1	40%	0.398	43%	0.429	S	S	.	.	H	α-helix	trans	-73.1	-23.7	173.4	-80.2	168.8	0	0	0	113.9	R501 S502 E503 P509 V516	R501-L505 HydrophobicContact CG-CD1 4.24Å; R501-L505 WeakPolarHBondContact O-CB 3.2Å; R501-L505 WeakPolarHBondContact O-CD1 3.04Å; R501-L505 VanDerWaalsContact O-CG 3.31Å; R501-L505 WeakPolarHBondContact O-CG 3.25Å; R501-L505 PolarHBondContact O-N 3.32Å; S502-L505 PolarHBondContact O-N 3.4Å; E503-L505 PolarHBondContact O-N 3.29Å; L505-P509 WeakPolarHBondContact O-CA 3.37Å; L505-V516 HydrophobicContact CD2-CG1 4.4Å; L505-V516 HydrophobicContact CD2-CG2 3.71Å; L505-V516 HydrophobicContact CG-CG1 4.05Å; L505-V516 HydrophobicContact CG-CG2 4.17Å
506	M	73.5	Confident	76	Confident	144 Å²	144	81.7 Å²	81.7	71%	0.709	42%	0.421	S	S	*	.	H	α-helix	trans	-81.3	-35.6	172.8	-72.9	-174.7	-67.1	0	0	112	S502 E503	S502-M506 WeakPolarHBondContact O-CG 3.28Å; S502-M506 PolarHBondContact O-N 2.85Å; S502-M506 VanDerWaalsContact O-N 3.14Å; E503-M506 WeakPolarHBondContact O-CA 3.44Å; E503-M506 PolarHBondContact O-N 3Å
507	E	75.4	Confident	75.4	Confident	112 Å²	112	83.8 Å²	83.8	52%	0.523	44%	0.437	S	S	.	.	H	α-helix	trans	-71.7	-38	174.8	-68.8	173.6	-126.8	0	0	112.7	E503 R523	E503-E507 PolarHBondContact O-N 3.25Å; E507-R523 IonicContact OE1-CZ 2.73Å; E507-R523 VanDerWaalsContact OE1-CZ 3.23Å; E507-R523 IonicContact OE1-NH1 2.86Å; E507-R523 PolarHBondContact OE1-NH1 3.4Å; E507-R523 IonicContact OE1-NH2 3.96Å; E507-R523 PolarHBondContact OE1-NH2 2.91Å; E507-R523 IonicContact OE2-CZ 2.64Å; E507-R523 IonicContact OE2-NH2 2.85Å; E507-R523 PolarHBondContact OE2-NH2 3.49Å
508	R	76.6	Confident	75.4	Confident	162 Å²	162	83.4 Å²	83.4	61%	0.611	45%	0.446	S	S	*	.			trans	-131.2	68.4	-177.2	-55.5	-174	73.1	158.1	1	110.9	V504 A510 A511	V504-R508 PolarHBondContact O-N 3.4Å; R508-A510 PolarHBondContact O-N 3.47Å; R508-A511 HydrophobicContact CB-CB 3.8Å; R508-A511 VanDerWaalsContact O-CB 3.26Å; R508-A511 WeakPolarHBondContact O-CB 3.46Å; R508-A511 PolarHBondContact O-N 2.85Å
509	P	73.6	Confident	75.6	Confident	109 Å²	109	76.9 Å²	76.9	71%	0.708	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-13.1	-173.9	26	-35.6	0	0	0	115.1	L505	L505-P509 WeakPolarHBondContact O-CA 3.37Å
510	A	74.8	Confident	75.7	Confident	104 Å²	104	73.1 Å²	73.1	86%	0.86	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-5.5	173.6	0	0	0	0	0	114.2	R508	R508-A510 PolarHBondContact O-N 3.47Å
511	A	72.1	Confident	75.9	Confident	19 Å²	19	77.1 Å²	77.1	16%	0.157	42%	0.424	C	S	.	.			trans	-67.5	144.8	-175	0	0	0	0	0	112.5	R508 E515 V516	R508-A511 HydrophobicContact CB-CB 3.8Å; R508-A511 VanDerWaalsContact O-CB 3.26Å; R508-A511 WeakPolarHBondContact O-CB 3.46Å; R508-A511 PolarHBondContact O-N 2.85Å; A511-E515 VanDerWaalsContact CA-OE2 3.27Å; A511-E515 WeakPolarHBondContact CA-OE2 3.41Å; A511-E515 HydrophobicContact CB-CB 4.07Å; A511-E515 WeakPolarHBondContact CB-OE2 3.28Å; A511-V516 HydrophobicContact CB-CG2 3.89Å
512	S	76.6	Confident	76.3	Confident	44 Å²	44	79 Å²	79	31%	0.308	44%	0.438	S	S	.	.			trans	-67.9	161.7	178.1	75.5	0	0	0	0	112.7	Q514 E515 V516	S512-Q514 PolarHBondContact O-N 2.79Å; S512-Q514 VanDerWaalsContact O-N 3.14Å; S512-E515 WeakPolarHBondContact CB-OE1 3.34Å; S512-E515 VanDerWaalsContact N-CD 3.3Å; S512-E515 PolarHBondContact N-OE1 3.35Å; S512-E515 PolarHBondContact N-OE2 3.19Å; S512-E515 VanDerWaalsContact N-OE2 3.12Å; S512-E515 PolarHBondContact O-N 2.84Å; S512-E515 VanDerWaalsContact O-N 3.13Å; S512-E515 WeakPolarHBondContact OG-CG 3.2Å; S512-E515 PolarHBondContact OG-N 3.36Å; S512-E515 PolarHBondContact OG-OE1 3.14Å; S512-V516 WeakPolarHBondContact O-CG2 3.49Å; S512-V516 PolarHBondContact O-N 3.06Å
513	L	64.5	Low	76.8	Confident	141 Å²	141	79.9 Å²	79.9	74%	0.738	43%	0.431	S	S	*	.	H	α-helix	trans	-59.6	-28.1	-179.6	-132.9	149.1	0	0	0	112.4	R501 S517	R501-L513 VanDerWaalsContact NH2-CD2 3.32Å; R501-L513 PolarHBondContact NH2-O 3.49Å; R501-L513 VanDerWaalsContact NH2-O 3.1Å; L513-S517 PolarHBondContact O-N 3.47Å
514	Q	68.6	Low	77.2	Confident	162 Å²	162	77.8 Å²	77.8	76%	0.757	42%	0.42	S	S	*	.	H	α-helix	trans	-79.7	-45.1	173.8	-73	177.2	-25.9	0	0	112.5	S512 V516 S517 A518	S512-Q514 PolarHBondContact O-N 2.79Å; S512-Q514 VanDerWaalsContact O-N 3.14Å; Q514-V516 VanDerWaalsContact C-N 3.31Å; Q514-V516 PolarHBondContact O-N 3.11Å; Q514-S517 WeakPolarHBondContact O-CA 3.45Å; Q514-S517 VanDerWaalsContact O-CB 3.31Å; Q514-S517 WeakPolarHBondContact O-CB 3.2Å; Q514-S517 PolarHBondContact O-N 3.23Å; Q514-S517 VanDerWaalsContact O-N 3.07Å; Q514-A518 PolarHBondContact O-N 2.81Å
515	E	73.1	Confident	77.6	Confident	95 Å²	95	82.7 Å²	82.7	44%	0.444	44%	0.442	S	S	.	.	H	α-helix	trans	-57.9	-43.5	174.5	-74.9	149.5	-118.4	0	0	111.8	A511 S512 S517 A518 A519	A511-E515 VanDerWaalsContact CA-OE2 3.27Å; A511-E515 WeakPolarHBondContact CA-OE2 3.41Å; A511-E515 HydrophobicContact CB-CB 4.07Å; A511-E515 WeakPolarHBondContact CB-OE2 3.28Å; S512-E515 WeakPolarHBondContact CB-OE1 3.34Å; S512-E515 VanDerWaalsContact N-CD 3.3Å; S512-E515 PolarHBondContact N-OE1 3.35Å; S512-E515 PolarHBondContact N-OE2 3.19Å; S512-E515 VanDerWaalsContact N-OE2 3.12Å; S512-E515 PolarHBondContact O-N 2.84Å; S512-E515 VanDerWaalsContact O-N 3.13Å; S512-E515 WeakPolarHBondContact OG-CG 3.2Å; S512-E515 PolarHBondContact OG-N 3.36Å; S512-E515 PolarHBondContact OG-OE1 3.14Å; E515-S517 VanDerWaalsContact C-N 3.3Å; E515-S517 PolarHBondContact O-N 3.17Å; E515-A518 PolarHBondContact O-N 3.29Å; E515-A519 VanDerWaalsContact O-CB 3.3Å; E515-A519 WeakPolarHBondContact O-CB 3.47Å; E515-A519 PolarHBondContact O-N 2.79Å
516	V	74.9	Confident	78.2	Confident	1 Å²	1	84.8 Å²	84.8	1%	0.006	45%	0.454	C	S	.	.	H	α-helix	trans	-61.6	-41.5	175	172.8	0	0	0	0	110.5	R501 V504 L505 A511 S512 Q514 V520	R501-V516 HydrophobicContact CG-CG1 3.76Å; V504-V516 HydrophobicContact CG1-CB 4.3Å; V504-V516 HydrophobicContact CG1-CG1 4.03Å; V504-V516 HydrophobicContact CG1-CG2 4.28Å; L505-V516 HydrophobicContact CD2-CG1 4.4Å; L505-V516 HydrophobicContact CD2-CG2 3.71Å; L505-V516 HydrophobicContact CG-CG1 4.05Å; L505-V516 HydrophobicContact CG-CG2 4.17Å; A511-V516 HydrophobicContact CB-CG2 3.89Å; S512-V516 WeakPolarHBondContact O-CG2 3.49Å; S512-V516 PolarHBondContact O-N 3.06Å; Q514-V516 VanDerWaalsContact C-N 3.31Å; Q514-V516 PolarHBondContact O-N 3.11Å; V516-V520 WeakPolarHBondContact O-CB 3.09Å; V516-V520 WeakPolarHBondContact O-CG2 3.33Å; V516-V520 PolarHBondContact O-N 2.96Å
517	S	75.4	Confident	78.8	Confident	54 Å²	54	79.7 Å²	79.7	38%	0.378	43%	0.43	S	S	.	.	H	α-helix	trans	-63.2	-45.3	176.4	-144.6	0	0	0	0	112	L513 Q514 E515 V520 Q521	L513-S517 PolarHBondContact O-N 3.47Å; Q514-S517 WeakPolarHBondContact O-CA 3.45Å; Q514-S517 VanDerWaalsContact O-CB 3.31Å; Q514-S517 WeakPolarHBondContact O-CB 3.2Å; Q514-S517 PolarHBondContact O-N 3.23Å; Q514-S517 VanDerWaalsContact O-N 3.07Å; E515-S517 VanDerWaalsContact C-N 3.3Å; E515-S517 PolarHBondContact O-N 3.17Å; S517-V520 PolarHBondContact O-N 3.22Å; S517-Q521 WeakPolarHBondContact O-CB 3.44Å; S517-Q521 PolarHBondContact O-N 3.15Å
518	A	82.4	Confident	79.3	Confident	61 Å²	61	76.7 Å²	76.7	50%	0.504	43%	0.429	S	S	.	.	H	α-helix	trans	-67.8	-40.2	179.8	0	0	0	0	0	112.3	Q514 E515 Q521 N522	Q514-A518 PolarHBondContact O-N 2.81Å; E515-A518 PolarHBondContact O-N 3.29Å; A518-Q521 PolarHBondContact O-N 3.17Å; A518-N522 VanDerWaalsContact O-CB 3.3Å; A518-N522 WeakPolarHBondContact O-CB 3.18Å; A518-N522 PolarHBondContact O-N 2.66Å
519	A	81.9	Confident	79.4	Confident	33 Å²	33	74 Å²	74	27%	0.273	43%	0.427	S	S	.	.	H	α-helix	trans	-66.8	-37.6	176.1	0	0	0	0	0	112.3	V504 E515 R523	V504-A519 HydrophobicContact CG1-CB 3.81Å; V504-A519 HydrophobicContact CG2-CB 4.48Å; E515-A519 VanDerWaalsContact O-CB 3.3Å; E515-A519 WeakPolarHBondContact O-CB 3.47Å; E515-A519 PolarHBondContact O-N 2.79Å; A519-R523 WeakPolarHBondContact O-CG 3.31Å; A519-R523 PolarHBondContact O-N 3.05Å
520	V	85.4	Confident	79.8	Confident	5 Å²	5	77 Å²	77	3%	0.03	43%	0.431	C	S	.	.	H	α-helix	trans	-68.6	-43.2	173	172.2	0	0	0	0	111.5	F496 E497 T500 R501 V504 V516 S517 N522 R523 W524	F496-V520 HydrophobicContact CD1-CG1 4.34Å; F496-V520 HydrophobicContact CE1-CG1 4.3Å; E497-V520 HydrophobicContact CB-CG1 3.96Å; E497-V520 HydrophobicContact CG-CG1 3.99Å; T500-V520 HydrophobicContact CG2-CG2 4.4Å; R501-V520 HydrophobicContact CB-CG2 4.14Å; V504-V520 HydrophobicContact CB-CG2 4.14Å; V504-V520 HydrophobicContact CG2-CG2 3.8Å; V516-V520 WeakPolarHBondContact O-CB 3.09Å; V516-V520 WeakPolarHBondContact O-CG2 3.33Å; V516-V520 PolarHBondContact O-N 2.96Å; S517-V520 PolarHBondContact O-N 3.22Å; V520-N522 PolarHBondContact O-N 3.38Å; V520-R523 WeakPolarHBondContact O-CB 3.39Å; V520-R523 PolarHBondContact O-N 2.64Å; V520-W524 PolarHBondContact O-N 3.16Å
521	Q	83.8	Confident	80	Confident	94 Å²	94	73 Å²	73	44%	0.439	40%	0.401	S	S	.	.	H	α-helix	trans	-60	-45.2	175.6	-179.9	63.1	21	0	0	111.4	S517 A518 R523 W524 E525	S517-Q521 WeakPolarHBondContact O-CB 3.44Å; S517-Q521 PolarHBondContact O-N 3.15Å; A518-Q521 PolarHBondContact O-N 3.17Å; Q521-R523 VanDerWaalsContact C-N 3.31Å; Q521-R523 PolarHBondContact O-N 2.77Å; Q521-W524 WeakPolarHBondContact O-CA 3.3Å; Q521-W524 WeakPolarHBondContact O-CB 3.26Å; Q521-W524 PolarHBondContact O-N 2.86Å; Q521-E525 WeakPolarHBondContact CG-OE1 3.26Å; Q521-E525 PolarHBondContact NE2-OE1 2.99Å; Q521-E525 WeakPolarHBondContact O-CG 3.4Å; Q521-E525 PolarHBondContact O-N 3.43Å
522	N	85.7	Confident	80.6	Confident	89 Å²	89	75.4 Å²	75.4	48%	0.476	41%	0.405	S	S	.	.	H	α-helix	trans	-62.6	-36.1	176	-173.3	-85.7	0	0	0	112.3	A518 V520 W524 E525 N526	A518-N522 VanDerWaalsContact O-CB 3.3Å; A518-N522 WeakPolarHBondContact O-CB 3.18Å; A518-N522 PolarHBondContact O-N 2.66Å; V520-N522 PolarHBondContact O-N 3.38Å; N522-W524 VanDerWaalsContact C-N 3.34Å; N522-E525 PolarHBondContact O-N 3.38Å; N522-N526 WeakPolarHBondContact O-CB 3.46Å; N522-N526 PolarHBondContact O-N 3.27Å; N522-N526 PolarHBondContact O-ND2 2.71Å; N522-N526 PolarHBondContact OD1-ND2 3.24Å; N522-N526 VanDerWaalsContact OD1-ND2 3.14Å
523	R	87.9	Confident	81	Confident	84 Å²	84	79.5 Å²	79.5	32%	0.317	42%	0.418	S	S	.	.	H	α-helix	trans	-67.5	-30.7	171.6	-75.8	178.1	178.9	-163.7	2.5	113.3	F496 T500 E507 A519 V520 Q521 L527	F496-R523 HydrophobicContact CE1-CB 4.09Å; F496-R523 HydrophobicContact CZ-CB 3.95Å; T500-R523 HydrophobicContact CG2-CB 4.39Å; E507-R523 IonicContact OE1-CZ 2.73Å; E507-R523 VanDerWaalsContact OE1-CZ 3.23Å; E507-R523 IonicContact OE1-NH1 2.86Å; E507-R523 PolarHBondContact OE1-NH1 3.4Å; E507-R523 IonicContact OE1-NH2 3.96Å; E507-R523 PolarHBondContact OE1-NH2 2.91Å; E507-R523 IonicContact OE2-CZ 2.64Å; E507-R523 IonicContact OE2-NH2 2.85Å; E507-R523 PolarHBondContact OE2-NH2 3.49Å; A519-R523 WeakPolarHBondContact O-CG 3.31Å; A519-R523 PolarHBondContact O-N 3.05Å; V520-R523 WeakPolarHBondContact O-CB 3.39Å; V520-R523 PolarHBondContact O-N 2.64Å; Q521-R523 VanDerWaalsContact C-N 3.31Å; Q521-R523 PolarHBondContact O-N 2.77Å; R523-L527 WeakPolarHBondContact O-CB 3.29Å; R523-L527 PolarHBondContact O-N 3.09Å; R523-L527 VanDerWaalsContact O-N 3.13Å
524	W	87.1	Confident	82.3	Confident	40 Å²	40	80.1 Å²	80.1	15%	0.152	41%	0.41	C	S	.	.	H	α-helix	trans	-74.7	-38.2	173.8	179	-108.3	0	0	0	112.2	A492 A493 F496 V520 Q521 N522 L527 R532 F535	A492-W524 HydrophobicContact CB-CH2 3.89Å; A492-W524 HydrophobicContact CB-CZ2 4.36Å; A493-W524 HydrophobicContact CB-CD2 4.26Å; A493-W524 HydrophobicContact CB-CZ2 3.88Å; F496-W524 HydrophobicContact CB-CE3 3.54Å; F496-W524 HydrophobicContact CB-CZ3 3.61Å; F496-W524 HydrophobicContact CD1-CB 3.84Å; F496-W524 HydrophobicContact CD1-CD2 4.19Å; F496-W524 AromaticContact CD1-CE3 3.57Å; F496-W524 HydrophobicContact CD1-CE3 3.57Å; F496-W524 HydrophobicContact CD1-CG 4.35Å; F496-W524 HydrophobicContact CD1-CZ3 4.46Å; F496-W524 AromaticContact CD2-CE3 3.86Å; F496-W524 HydrophobicContact CD2-CE3 3.86Å; F496-W524 HydrophobicContact CD2-CZ3 4.15Å; F496-W524 HydrophobicContact CE1-CB 3.72Å; F496-W524 HydrophobicContact CE1-CE3 4.19Å; F496-W524 HydrophobicContact CE2-CE3 4.44Å; F496-W524 HydrophobicContact CG-CD2 4.38Å; F496-W524 AromaticContact CG-CE3 3.37Å; F496-W524 HydrophobicContact CG-CE3 3.37Å; F496-W524 AromaticContact CG-CZ3 3.84Å; F496-W524 HydrophobicContact CG-CZ3 3.84Å; V520-W524 PolarHBondContact O-N 3.16Å; Q521-W524 WeakPolarHBondContact O-CA 3.3Å; Q521-W524 WeakPolarHBondContact O-CB 3.26Å; Q521-W524 PolarHBondContact O-N 2.86Å; N522-W524 VanDerWaalsContact C-N 3.34Å; W524-L527 HydrophobicContact CE3-CD2 3.68Å; W524-L527 HydrophobicContact CZ3-CD2 3.65Å; W524-L527 WeakPolarHBondContact O-CB 3.1Å; W524-L527 PolarHBondContact O-N 2.98Å; W524-R532 HydrophobicContact CH2-CG 4.39Å; W524-R532 PolarHBondContact O-NE 3.47Å; W524-R532 PolarHBondContact O-NH2 3.19Å; W524-F535 HydrophobicContact CH2-CB 4.2Å; W524-F535 HydrophobicContact CZ3-CB 4.07Å; W524-F535 HydrophobicContact CZ3-CG 4.39Å
525	E	84.8	Confident	83.2	Confident	107 Å²	107	73 Å²	73	50%	0.5	38%	0.377	S	S	.	.	H	α-helix	trans	-68.3	-33.2	176.1	-74.4	167.6	-176.5	0	0	112.5	Q521 N522 R532	Q521-E525 WeakPolarHBondContact CG-OE1 3.26Å; Q521-E525 PolarHBondContact NE2-OE1 2.99Å; Q521-E525 WeakPolarHBondContact O-CG 3.4Å; Q521-E525 PolarHBondContact O-N 3.43Å; N522-E525 PolarHBondContact O-N 3.38Å; E525-R532 PolarHBondContact O-NH2 3.44Å
526	N	84.6	Confident	84	Confident	120 Å²	120	73.2 Å²	73.2	64%	0.642	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	7.2	173.2	-66.6	-62.7	0	0	0	114.1	N522 G528	N522-N526 WeakPolarHBondContact O-CB 3.46Å; N522-N526 PolarHBondContact O-N 3.27Å; N522-N526 PolarHBondContact O-ND2 2.71Å; N522-N526 PolarHBondContact OD1-ND2 3.24Å; N522-N526 VanDerWaalsContact OD1-ND2 3.14Å; N526-G528 PolarHBondContact O-N 3.09Å
527	L	85.9	Confident	84.6	Confident	38 Å²	38	77 Å²	77	20%	0.199	40%	0.395	C	S	.	.			trans	-74.8	117.4	176.2	-168.6	68	0	0	0	110.3	F496 R523 W524 R532 F535	F496-L527 HydrophobicContact CD2-CD2 3.89Å; F496-L527 HydrophobicContact CE2-CD1 4.01Å; F496-L527 HydrophobicContact CE2-CD2 3.76Å; F496-L527 HydrophobicContact CE2-CG 4.43Å; F496-L527 HydrophobicContact CZ-CD2 4.46Å; R523-L527 WeakPolarHBondContact O-CB 3.29Å; R523-L527 PolarHBondContact O-N 3.09Å; R523-L527 VanDerWaalsContact O-N 3.13Å; W524-L527 HydrophobicContact CE3-CD2 3.68Å; W524-L527 HydrophobicContact CZ3-CD2 3.65Å; W524-L527 WeakPolarHBondContact O-CB 3.1Å; W524-L527 PolarHBondContact O-N 2.98Å; L527-R532 HydrophobicContact CB-CG 4.28Å; L527-R532 HydrophobicContact CD2-CG 4.07Å; L527-R532 HydrophobicContact CG-CG 4.29Å; L527-R532 VanDerWaalsContact O-CZ 3.22Å; L527-R532 PolarHBondContact O-NE 2.93Å; L527-F535 HydrophobicContact CD2-CD2 4.35Å
528	G	85.6	Confident	85.1	Confident	49 Å²	49	77 Å²	77	51%	0.505	39%	0.389	S	S	.	.			trans	-60.8	157.5	177	0	0	0	0	0	113.6	N526 E530 G531 R532	N526-G528 PolarHBondContact O-N 3.09Å; G528-E530 VanDerWaalsContact C-N 3.32Å; G528-E530 PolarHBondContact O-N 3.23Å; G528-G531 WeakPolarHBondContact O-CA 3.27Å; G528-G531 PolarHBondContact O-N 3.15Å; G528-R532 PolarHBondContact O-N 3.48Å; G528-R532 VanDerWaalsContact O-N 3.1Å
529	D	80.1	Confident	85.2	Confident	106 Å²	106	75 Å²	75	57%	0.567	37%	0.371	S	S	*	.	H	α-helix	trans	-61.2	-31.9	-164.5	-63.2	-34.3	0	0	0	114.9	G531 R532 K533	D529-G531 VanDerWaalsContact C-N 3.34Å; D529-R532 PolarHBondContact O-N 3.18Å; D529-R532 IonicContact OD1-NH1 3.23Å; D529-K533 WeakPolarHBondContact O-CB 3.44Å; D529-K533 VanDerWaalsContact O-CG 3.24Å; D529-K533 WeakPolarHBondContact O-CG 3.38Å; D529-K533 PolarHBondContact O-N 3.15Å
530	E	79.9	Confident	85.5	Confident	170 Å²	170	80.3 Å²	80.3	79%	0.794	39%	0.385	S	S	*	.	H	α-helix	trans	-66.7	-37.1	172.9	-61.9	-142.5	128.6	0	0	112.3	G528 R534	G528-E530 VanDerWaalsContact C-N 3.32Å; G528-E530 PolarHBondContact O-N 3.23Å; E530-R534 WeakPolarHBondContact O-CB 3.27Å; E530-R534 PolarHBondContact O-N 2.99Å
531	G	79.4	Confident	85.5	Confident	22 Å²	22	84.9 Å²	84.9	23%	0.227	40%	0.404	C	S	.	.	H	α-helix	trans	-62.1	-48	173.1	0	0	0	0	0	111.1	G528 D529 R534 F535	G528-G531 WeakPolarHBondContact O-CA 3.27Å; G528-G531 PolarHBondContact O-N 3.15Å; D529-G531 VanDerWaalsContact C-N 3.34Å; G531-R534 WeakPolarHBondContact O-CB 3.14Å; G531-R534 PolarHBondContact O-N 3.15Å; G531-F535 WeakPolarHBondContact O-CD2 3.34Å; G531-F535 PolarHBondContact O-N 3.34Å
532	R	84.4	Confident	85.3	Confident	68 Å²	68	82.4 Å²	82.4	26%	0.257	40%	0.397	S	S	.	.	H	α-helix	trans	-59.3	-51.9	175.9	-71.6	-178.3	173.9	141	4.9	112	W524 E525 L527 G528 D529 R534 F535 E536	W524-R532 HydrophobicContact CH2-CG 4.39Å; W524-R532 PolarHBondContact O-NE 3.47Å; W524-R532 PolarHBondContact O-NH2 3.19Å; E525-R532 PolarHBondContact O-NH2 3.44Å; L527-R532 HydrophobicContact CB-CG 4.28Å; L527-R532 HydrophobicContact CD2-CG 4.07Å; L527-R532 HydrophobicContact CG-CG 4.29Å; L527-R532 VanDerWaalsContact O-CZ 3.22Å; L527-R532 PolarHBondContact O-NE 2.93Å; G528-R532 PolarHBondContact O-N 3.48Å; G528-R532 VanDerWaalsContact O-N 3.1Å; D529-R532 PolarHBondContact O-N 3.18Å; D529-R532 IonicContact OD1-NH1 3.23Å; R532-R534 PolarHBondContact O-N 2.99Å; R532-F535 PolarHBondContact O-N 3.45Å; R532-E536 WeakPolarHBondContact O-CG 3.29Å; R532-E536 PolarHBondContact O-N 2.82Å
533	K	86.5	Confident	85.1	Confident	130 Å²	130	82.1 Å²	82.1	57%	0.565	39%	0.393	S	S	*	.	H	α-helix	trans	-53.6	-38.2	177.2	-75.1	168	-177.3	170.5	0	112.6	D529 E536 E537	D529-K533 WeakPolarHBondContact O-CB 3.44Å; D529-K533 VanDerWaalsContact O-CG 3.24Å; D529-K533 WeakPolarHBondContact O-CG 3.38Å; D529-K533 PolarHBondContact O-N 3.15Å; K533-E536 PolarHBondContact O-N 3.13Å; K533-E537 WeakPolarHBondContact O-CB 3.41Å; K533-E537 PolarHBondContact O-N 2.75Å
534	R	90.4	Very high	84.7	Confident	155 Å²	155	82 Å²	82	59%	0.585	40%	0.399	S	S	*	.	H	α-helix	trans	-63	-39.5	175.4	-172.7	-176.9	-179.1	-140.6	2.3	112.9	E530 G531 R532 K538	E530-R534 WeakPolarHBondContact O-CB 3.27Å; E530-R534 PolarHBondContact O-N 2.99Å; G531-R534 WeakPolarHBondContact O-CB 3.14Å; G531-R534 PolarHBondContact O-N 3.15Å; R532-R534 PolarHBondContact O-N 2.99Å; R534-K538 WeakPolarHBondContact O-CG 3.39Å; R534-K538 PolarHBondContact O-N 3.37Å; R534-K538 VanDerWaalsContact O-N 3.15Å
535	F	87.9	Confident	84.1	Confident	11 Å²	11	84.7 Å²	84.7	5%	0.048	42%	0.416	C	S	.	.	H	α-helix	trans	-79.5	-31.7	176.8	-77.8	-86.5	0	0	0	112.8	A492 L495 F496 E499 W524 L527 G531 R532 K538 A539	A492-F535 HydrophobicContact CB-CB 4.12Å; L495-F535 HydrophobicContact CB-CD1 4.01Å; F496-F535 HydrophobicContact CB-CD1 3.97Å; F496-F535 HydrophobicContact CB-CE1 4.08Å; F496-F535 HydrophobicContact CB-CG 4.2Å; F496-F535 HydrophobicContact CB-CZ 4.44Å; F496-F535 HydrophobicContact CD2-CD2 4.03Å; F496-F535 HydrophobicContact CD2-CE1 4.35Å; F496-F535 AromaticContact CD2-CE2 3.69Å; F496-F535 HydrophobicContact CD2-CE2 3.69Å; F496-F535 AromaticContact CD2-CZ 3.86Å; F496-F535 HydrophobicContact CD2-CZ 3.86Å; F496-F535 HydrophobicContact CE2-CE2 4.44Å; E499-F535 HydrophobicContact CB-CE1 4.48Å; E499-F535 WeakPolarHBondContact OE2-CE1 3.29Å; W524-F535 HydrophobicContact CH2-CB 4.2Å; W524-F535 HydrophobicContact CZ3-CB 4.07Å; W524-F535 HydrophobicContact CZ3-CG 4.39Å; L527-F535 HydrophobicContact CD2-CD2 4.35Å; G531-F535 WeakPolarHBondContact O-CD2 3.34Å; G531-F535 PolarHBondContact O-N 3.34Å; R532-F535 PolarHBondContact O-N 3.45Å; F535-K538 HydrophobicContact CD1-CD 3.82Å; F535-K538 HydrophobicContact CE1-CD 4.03Å; F535-K538 HydrophobicContact CG-CD 4.44Å; F535-K538 PolarHBondContact O-N 2.95Å; F535-A539 WeakPolarHBondContact O-CB 3.48Å; F535-A539 PolarHBondContact O-N 3.46Å
536	E	89.7	Confident	83.6	Confident	100 Å²	100	81.6 Å²	81.6	47%	0.467	40%	0.401	S	S	.	.	H	α-helix	trans	-63.1	-41.4	169.6	-69.9	165.5	179.4	0	0	111.6	A492 R532 K533 A539 R540	A492-E536 HydrophobicContact CB-CG 3.99Å; R532-E536 WeakPolarHBondContact O-CG 3.29Å; R532-E536 PolarHBondContact O-N 2.82Å; K533-E536 PolarHBondContact O-N 3.13Å; E536-A539 PolarHBondContact O-N 2.7Å; E536-R540 WeakPolarHBondContact O-CB 3.2Å; E536-R540 PolarHBondContact O-N 3.4Å
537	E	88.9	Confident	83.2	Confident	80 Å²	80	78.5 Å²	78.5	37%	0.374	39%	0.385	S	S	.	.	H	α-helix	trans	-70.8	-37.3	176.4	-152.1	-148.4	-176.6	0	0	112.4	K533 A539 R540 K541	K533-E537 WeakPolarHBondContact O-CB 3.41Å; K533-E537 PolarHBondContact O-N 2.75Å; E537-A539 VanDerWaalsContact C-N 3.31Å; E537-A539 PolarHBondContact O-N 2.9Å; E537-R540 PolarHBondContact O-N 2.81Å; E537-K541 VanDerWaalsContact CD-CE 3.42Å; E537-K541 WeakPolarHBondContact O-CB 3.47Å; E537-K541 WeakPolarHBondContact O-CG 3.29Å; E537-K541 PolarHBondContact O-N 3.38Å; E537-K541 WeakPolarHBondContact OE1-CE 3.47Å; E537-K541 IonicContact OE1-NZ 2.68Å; E537-K541 PolarHBondContact OE1-NZ 2.84Å; E537-K541 IonicContact OE2-NZ 2.67Å; E537-K541 PolarHBondContact OE2-NZ 3.41Å
538	K	84	Confident	82.4	Confident	56 Å²	56	82.2 Å²	82.2	24%	0.243	40%	0.401	C	S	.	.	H	α-helix	trans	-57.4	-43.8	168.4	-77.2	175.1	175.3	175.9	0	110.9	L495 E499 R534 F535 S542	L495-K538 HydrophobicContact CD1-CB 3.89Å; E499-K538 IonicContact OE1-NZ 3.74Å; E499-K538 PolarHBondContact OE1-NZ 3.33Å; E499-K538 IonicContact OE2-NZ 3.69Å; E499-K538 PolarHBondContact OE2-NZ 3.01Å; R534-K538 WeakPolarHBondContact O-CG 3.39Å; R534-K538 PolarHBondContact O-N 3.37Å; R534-K538 VanDerWaalsContact O-N 3.15Å; F535-K538 HydrophobicContact CD1-CD 3.82Å; F535-K538 HydrophobicContact CE1-CD 4.03Å; F535-K538 HydrophobicContact CG-CD 4.44Å; F535-K538 PolarHBondContact O-N 2.95Å; K538-S542 PolarHBondContact O-N 2.95Å; K538-S542 PolarHBondContact O-OG 3.23Å
539	A	86.1	Confident	81.3	Confident	17 Å²	17	88.1 Å²	88.1	14%	0.14	41%	0.408	C	S	.	.	H	α-helix	trans	-68.1	-46.2	178.9	0	0	0	0	0	111.6	A492 L495 F535 E536 E537 K541 S542 Q543	A492-A539 HydrophobicContact CB-CB 4.17Å; L495-A539 HydrophobicContact CD1-CB 4.19Å; F535-A539 WeakPolarHBondContact O-CB 3.48Å; F535-A539 PolarHBondContact O-N 3.46Å; E536-A539 PolarHBondContact O-N 2.7Å; E537-A539 VanDerWaalsContact C-N 3.31Å; E537-A539 PolarHBondContact O-N 2.9Å; A539-K541 PolarHBondContact O-N 2.97Å; A539-S542 CarbonylContact O-C 3.59Å; A539-S542 WeakPolarHBondContact O-CA 3.22Å; A539-S542 VanDerWaalsContact O-CB 3.32Å; A539-S542 WeakPolarHBondContact O-CB 3.34Å; A539-S542 PolarHBondContact O-N 3.47Å; A539-Q543 PolarHBondContact O-N 3.48Å
540	R	87.6	Confident	80.4	Confident	145 Å²	145	85.7 Å²	85.7	55%	0.547	40%	0.397	S	S	.	.	H	α-helix	trans	-58.4	-48.6	176.7	-165.9	-177.8	72	-151.6	-3.2	111.5	E536 E537 S542 Q543 D544	E536-R540 WeakPolarHBondContact O-CB 3.2Å; E536-R540 PolarHBondContact O-N 3.4Å; E537-R540 PolarHBondContact O-N 2.81Å; R540-S542 PolarHBondContact O-N 2.95Å; R540-S542 VanDerWaalsContact O-N 3.16Å; R540-Q543 CarbonylContact O-C 3.54Å; R540-Q543 WeakPolarHBondContact O-CA 3.04Å; R540-Q543 VanDerWaalsContact O-CB 3.3Å; R540-Q543 WeakPolarHBondContact O-CB 3.47Å; R540-Q543 PolarHBondContact O-N 3.1Å; R540-D544 PolarHBondContact O-N 3.15Å; R540-D544 VanDerWaalsContact O-OD2 3.1Å
541	K	85.5	Confident	79.7	Confident	102 Å²	102	86.3 Å²	86.3	44%	0.443	39%	0.392	S	S	.	.	H	α-helix	trans	-58.9	-29.9	175	-72.5	168.2	179.6	165.4	0	113.1	E537 A539 L545	E537-K541 VanDerWaalsContact CD-CE 3.42Å; E537-K541 WeakPolarHBondContact O-CB 3.47Å; E537-K541 WeakPolarHBondContact O-CG 3.29Å; E537-K541 PolarHBondContact O-N 3.38Å; E537-K541 WeakPolarHBondContact OE1-CE 3.47Å; E537-K541 IonicContact OE1-NZ 2.68Å; E537-K541 PolarHBondContact OE1-NZ 2.84Å; E537-K541 IonicContact OE2-NZ 2.67Å; E537-K541 PolarHBondContact OE2-NZ 3.41Å; A539-K541 PolarHBondContact O-N 2.97Å; K541-L545 WeakPolarHBondContact O-CB 3.48Å; K541-L545 PolarHBondContact O-N 3.33Å
542	S	78.4	Confident	78.6	Confident	42 Å²	42	91.7 Å²	91.7	29%	0.294	42%	0.415	S	S	.	.	H	α-helix	trans	-76.5	-34.1	174.6	-56.2	0	0	0	0	112.5	K538 A539 R540 H546	K538-S542 PolarHBondContact O-N 2.95Å; K538-S542 PolarHBondContact O-OG 3.23Å; A539-S542 CarbonylContact O-C 3.59Å; A539-S542 WeakPolarHBondContact O-CA 3.22Å; A539-S542 VanDerWaalsContact O-CB 3.32Å; A539-S542 WeakPolarHBondContact O-CB 3.34Å; A539-S542 PolarHBondContact O-N 3.47Å; R540-S542 PolarHBondContact O-N 2.95Å; R540-S542 VanDerWaalsContact O-N 3.16Å; S542-H546 WeakPolarHBondContact O-CB 3.35Å; S542-H546 PolarHBondContact O-N 2.95Å; S542-H546 VanDerWaalsContact O-N 3.17Å
543	Q	81.4	Confident	77.1	Confident	82 Å²	82	92.2 Å²	92.2	38%	0.383	43%	0.434	S	S	.	.	H	α-helix	trans	-67.1	-49.9	170.8	-169.6	72.7	50.2	0	0	110.8	P489 A539 R540 L545 H546 D547	P489-Q543 HydrophobicContact CG-CB 4.5Å; A539-Q543 PolarHBondContact O-N 3.48Å; R540-Q543 CarbonylContact O-C 3.54Å; R540-Q543 WeakPolarHBondContact O-CA 3.04Å; R540-Q543 VanDerWaalsContact O-CB 3.3Å; R540-Q543 WeakPolarHBondContact O-CB 3.47Å; R540-Q543 PolarHBondContact O-N 3.1Å; Q543-L545 VanDerWaalsContact C-N 3.28Å; Q543-L545 PolarHBondContact O-N 3.23Å; Q543-H546 CarbonylContact O-C 3.57Å; Q543-H546 WeakPolarHBondContact O-CA 3.34Å; Q543-H546 WeakPolarHBondContact O-CB 3.48Å; Q543-H546 PolarHBondContact O-N 2.95Å; Q543-D547 PolarHBondContact NE2-OD1 3.03Å; Q543-D547 PolarHBondContact O-N 3.45Å
544	D	80.8	Confident	75.2	Confident	83 Å²	83	90 Å²	90	44%	0.444	44%	0.44	S	S	.	.	H	α-helix	trans	-55.1	-42.8	178.9	-60.8	-37.5	0	0	0	111.4	R540 Q548	R540-D544 PolarHBondContact O-N 3.15Å; R540-D544 VanDerWaalsContact O-OD2 3.1Å; D544-Q548 VanDerWaalsContact O-CB 3.24Å; D544-Q548 WeakPolarHBondContact O-CB 3.41Å; D544-Q548 PolarHBondContact O-N 3.44Å
545	L	73.6	Confident	73	Confident	96 Å²	96	86.3 Å²	86.3	50%	0.503	44%	0.442	S	S	.	.	H	α-helix	trans	-70.1	-31	175	-85.8	167.4	0	0	0	114	K541 Q543 R549	K541-L545 WeakPolarHBondContact O-CB 3.48Å; K541-L545 PolarHBondContact O-N 3.33Å; Q543-L545 VanDerWaalsContact C-N 3.28Å; Q543-L545 PolarHBondContact O-N 3.23Å; L545-R549 WeakPolarHBondContact O-CG 3.43Å; L545-R549 PolarHBondContact O-N 2.8Å
546	H	75.3	Confident	71.4	Confident	42 Å²	42	89.5 Å²	89.5	19%	0.194	48%	0.478	C	S	.	.	H	α-helix	trans	-70.3	-50.4	173	-178.1	101.4	0	0	0	109.8	R487 P489 S542 Q543 Q548 R549 T550	R487-H546 PolarHBondContact O-CE1 3.22Å; R487-H546 VanDerWaalsContact O-CE1 3.23Å; R487-H546 PolarHBondContact O-ND1 3.41Å; P489-H546 HydrophobicContact CG-CB 4.23Å; S542-H546 WeakPolarHBondContact O-CB 3.35Å; S542-H546 PolarHBondContact O-N 2.95Å; S542-H546 VanDerWaalsContact O-N 3.17Å; Q543-H546 CarbonylContact O-C 3.57Å; Q543-H546 WeakPolarHBondContact O-CA 3.34Å; Q543-H546 WeakPolarHBondContact O-CB 3.48Å; Q543-H546 PolarHBondContact O-N 2.95Å; H546-Q548 VanDerWaalsContact C-N 3.35Å; H546-Q548 PolarHBondContact O-N 3.33Å; H546-R549 WeakPolarHBondContact O-CB 3.43Å; H546-R549 PolarHBondContact O-N 2.89Å; H546-R549 VanDerWaalsContact O-N 3.1Å; H546-T550 PolarHBondContact O-N 3Å; H546-T550 PolarHBondContact O-OG1 3.41Å; H546-T550 VanDerWaalsContact O-OG1 3.13Å
547	D	74.8	Confident	68.8	Low	55 Å²	55	89.2 Å²	89.2	29%	0.294	49%	0.493	S	S	.	.	H	α-helix	trans	-64	-37.5	-179.6	-69.3	9.8	0	0	0	111.8	Q543 T550 R551	Q543-D547 PolarHBondContact NE2-OD1 3.03Å; Q543-D547 PolarHBondContact O-N 3.45Å; D547-T550 PolarHBondContact O-N 3.44Å; D547-R551 WeakPolarHBondContact O-CB 3.26Å; D547-R551 VanDerWaalsContact O-CG 3.25Å; D547-R551 WeakPolarHBondContact O-CG 3.27Å; D547-R551 PolarHBondContact O-N 3.41Å
548	Q	70.4	Confident	66.6	Low	115 Å²	115	92.3 Å²	92.3	54%	0.537	52%	0.518	S	S	.	.	H	α-helix	trans	-62.4	-42.1	172.5	-171.3	-178.6	43.5	0	0	111.7	D544 H546 R551 L552	D544-Q548 VanDerWaalsContact O-CB 3.24Å; D544-Q548 WeakPolarHBondContact O-CB 3.41Å; D544-Q548 PolarHBondContact O-N 3.44Å; H546-Q548 VanDerWaalsContact C-N 3.35Å; H546-Q548 PolarHBondContact O-N 3.33Å; Q548-R551 PolarHBondContact O-N 2.81Å; Q548-L552 HydrophobicContact CG-CD1 4.33Å; Q548-L552 WeakPolarHBondContact O-CB 3.42Å; Q548-L552 VanDerWaalsContact O-CG 3.3Å; Q548-L552 WeakPolarHBondContact O-CG 3.36Å; Q548-L552 PolarHBondContact O-N 3.05Å
549	R	62.5	Low	64	Low	173 Å²	173	94.4 Å²	94.4	65%	0.653	55%	0.546	S	S	*	.	H	α-helix	trans	-66.3	-40.2	174.4	-77.6	175	170.5	170.4	-0.6	112.1	L545 H546 L552 A553	L545-R549 WeakPolarHBondContact O-CG 3.43Å; L545-R549 PolarHBondContact O-N 2.8Å; H546-R549 WeakPolarHBondContact O-CB 3.43Å; H546-R549 PolarHBondContact O-N 2.89Å; H546-R549 VanDerWaalsContact O-N 3.1Å; R549-L552 PolarHBondContact O-N 3.23Å; R549-A553 WeakPolarHBondContact O-CB 3.36Å; R549-A553 PolarHBondContact O-N 3Å
550	T	60.9	Low	61.2	Low	56 Å²	56	99.9 Å²	99.9	34%	0.344	57%	0.573	S	S	.	*	H	α-helix	trans	-66	-39.7	176.9	-61.8	0	0	0	0	111.5	H546 D547 A553 A554	H546-T550 PolarHBondContact O-N 3Å; H546-T550 PolarHBondContact O-OG1 3.41Å; H546-T550 VanDerWaalsContact O-OG1 3.13Å; D547-T550 PolarHBondContact O-N 3.44Å; T550-A553 PolarHBondContact O-N 3.49Å; T550-A554 WeakPolarHBondContact O-CB 3.25Å; T550-A554 PolarHBondContact O-N 3.49Å
551	R	64.8	Low	58.4	Low	182 Å²	182	103.4 Å²	103.4	69%	0.687	59%	0.586	S	S	*	*	H	α-helix	trans	-63.2	-44.5	172	-71.6	172	-165.2	-171.5	7.3	112.1	D547 Q548 A553 A554 A555	D547-R551 WeakPolarHBondContact O-CB 3.26Å; D547-R551 VanDerWaalsContact O-CG 3.25Å; D547-R551 WeakPolarHBondContact O-CG 3.27Å; D547-R551 PolarHBondContact O-N 3.41Å; Q548-R551 PolarHBondContact O-N 2.81Å; R551-A553 VanDerWaalsContact C-N 3.29Å; R551-A553 PolarHBondContact O-N 3.32Å; R551-A554 PolarHBondContact O-N 2.91Å; R551-A555 WeakPolarHBondContact O-CB 3.48Å; R551-A555 PolarHBondContact O-N 3.5Å
552	L	56.9	Low	56.1	Low	135 Å²	135	104.3 Å²	104.3	71%	0.707	60%	0.602	S	S	*	*	H	α-helix	trans	-65.2	-30	175.5	-72.3	168.5	0	0	0	113	Q548 R549	Q548-L552 HydrophobicContact CG-CD1 4.33Å; Q548-L552 WeakPolarHBondContact O-CB 3.42Å; Q548-L552 VanDerWaalsContact O-CG 3.3Å; Q548-L552 WeakPolarHBondContact O-CG 3.36Å; Q548-L552 PolarHBondContact O-N 3.05Å; R549-L552 PolarHBondContact O-N 3.23Å
553	A	52.8	Low	54	Low	80 Å²	80	109.2 Å²	109.2	66%	0.661	62%	0.624	S	S	*	*	H	α-helix	trans	-77.9	-26.7	173.6	0	0	0	0	0	113.3	R549 T550 R551	R549-A553 WeakPolarHBondContact O-CB 3.36Å; R549-A553 PolarHBondContact O-N 3Å; T550-A553 PolarHBondContact O-N 3.49Å; R551-A553 VanDerWaalsContact C-N 3.29Å; R551-A553 PolarHBondContact O-N 3.32Å
554	A	46.2	Very low	51.4	Low	83 Å²	83	117.3 Å²	117.3	69%	0.686	65%	0.651	S	S	*	*	H	α-helix	trans	-85.9	-31.9	179.1	0	0	0	0	0	113.7	T550 R551 G556	T550-A554 WeakPolarHBondContact O-CB 3.25Å; T550-A554 PolarHBondContact O-N 3.49Å; R551-A554 PolarHBondContact O-N 2.91Å; A554-G556 PolarHBondContact O-N 3.47Å
555	A	44.2	Very low	48.9	Very low	77 Å²	77	117.6 Å²	117.6	64%	0.636	67%	0.665	S	S	*	*			trans	-79.1	49.1	-174.9	0	0	0	0	0	113.8	R551 A557	R551-A555 WeakPolarHBondContact O-CB 3.48Å; R551-A555 PolarHBondContact O-N 3.5Å; A555-A557 VanDerWaalsContact C-N 3.34Å; A555-A557 PolarHBondContact O-N 3.04Å
556	G	54.7	Low	46.6	Very low	78 Å²	78	117.8 Å²	117.8	80%	0.804	68%	0.68	S	S	*	*			trans	-74.9	65	-170.1	0	0	0	0	0	116.2	A554	A554-G556 PolarHBondContact O-N 3.47Å
557	A	35.8	Very low	44.2	Very low	94 Å²	94	124.7 Å²	124.7	78%	0.777	71%	0.71	S	S	*	*			trans	-149.8	154.5	168	0	0	0	0	0	113.8	A555	A555-A557 VanDerWaalsContact C-N 3.34Å; A555-A557 PolarHBondContact O-N 3.04Å
558	T	42.8	Very low	41.9	Very low	145 Å²	145	129.7 Å²	129.7	89%	0.89	74%	0.736	S	S	*	*			trans	-71.7	147	-176.3	47.4	0	0	0	0	115
559	A	28.1	Very low	39.8	Very low	101 Å²	101	132.9 Å²	132.9	84%	0.835	75%	0.751	S	S	*	*			trans	-142.3	134.8	157.1	0	0	0	0	0	111.7
560	D	28.6	Very low	38.1	Very low	132 Å²	132	129.2 Å²	129.2	71%	0.706	76%	0.757	S	S	*	*			trans	-68.8	169.1	170.8	-108.3	-44.4	0	0	0	111.1
561	R	28.3	Very low	36.5	Very low	219 Å²	219	135.6 Å²	135.6	83%	0.826	78%	0.783	S	S	*	*			cis	-165.1	-179.5	25.9	-129.4	153.3	-179.2	-134.9	0.5	107.8
562	P	36.2	Very low	34.8	Very low	120 Å²	120	136.4 Å²	136.4	78%	0.779	79%	0.791	S	S	*	*			cis	-129.9	163.3	-0.6	40.2	-23.8	0	0	0	117.4
563	L	36	Very low	33.3	Very low	145 Å²	145	141.8 Å²	141.8	76%	0.759	80%	0.802	S	S	*	*			trans	-107.4	141	177.5	-76.9	148	0	0	0	112.7
564	R	25.5	Very low	32.1	Very low	253 Å²	253	147.3 Å²	147.3	96%	0.955	81%	0.812	S	S	*	*			trans	-157.4	100.5	149	-99.8	-176	177.5	-174.9	-1.4	107.1
565	A	28.9	Very low	31.2	Very low	89 Å²	89	147.6 Å²	147.6	74%	0.736	81%	0.814	S	S	*	*			cis	93.9	77.3	22.7	0	0	0	0	0	115.7
566	A	25.1	Very low	30.5	Very low	99 Å²	99	149.9 Å²	149.9	82%	0.818	82%	0.822	S	S	*	*			trans	-165	145.6	157.2	0	0	0	0	0	109.9
567	K	25.5	Very low	29.7	Very low	187 Å²	187	154.3 Å²	154.3	81%	0.813	83%	0.826	S	S	*	*			cis	-167.5	126.2	-28.5	-145.3	-179.1	-173.3	-179.1	0	108.6
568	L	26.8	Very low	30.1	Very low	161 Å²	161	152.6 Å²	152.6	84%	0.843	81%	0.808	S	S	*	*			trans	61.1	150	167	-63.2	155.2	0	0	0	116
569	Q	25.9	Very low	30.1	Very low	182 Å²	182	151.7 Å²	151.7	85%	0.85	80%	0.798	S	S	*	*			cis	-131.1	167.8	21.3	-67	-179.7	-9.2	0	0	112.9
570	A	27.1	Very low	30.8	Very low	95 Å²	95	151.6 Å²	151.6	79%	0.785	78%	0.78	S	S	*	*			trans	-101.1	136.2	173.7	0	0	0	0	0	112.1
571	Q	25.7	Very low	31.4	Very low	190 Å²	190	151.9 Å²	151.9	89%	0.888	78%	0.778	S	S	*	*			trans	-123.5	131	155.7	-76.9	-160.5	-3.6	0	0	110.9
572	K	29	Very low	32.1	Very low	199 Å²	199	146.3 Å²	146.3	87%	0.865	76%	0.764	S	S	*	*			trans	-71.4	131.4	-176.1	-62.1	164.7	-179.9	171.4	0	110.1
573	R	26.5	Very low	32.4	Very low	249 Å²	249	143.5 Å²	143.5	94%	0.94	74%	0.742	S	S	*	*			trans	-116.3	105.5	154.3	-74.7	-168.6	173.4	-171.9	-1.5	109.1
574	K	26.9	Very low	32.6	Very low	196 Å²	196	140.6 Å²	140.6	85%	0.852	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-64.5	131.6	173.3	-60.4	176.5	179.2	-179.9	0	108.5
575	A	28.1	Very low	33.2	Very low	88 Å²	88	134.7 Å²	134.7	73%	0.727	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-72.8	141.3	154.6	0	0	0	0	0	108.3
576	P	29.6	Very low	33.7	Very low	125 Å²	125	136.4 Å²	136.4	81%	0.812	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-69.7	150.2	171.9	30.1	-33.8	0	0	0	110.9
577	L	38.3	Very low	34.4	Very low	172 Å²	172	136.6 Å²	136.6	90%	0.901	69%	0.689	S	S	*	*	S	Bend	trans	-79.1	165	173.9	-72.8	162.4	0	0	0	111.3
578	S	43.5	Very low	35.1	Very low	57 Å²	57	132.3 Å²	132.3	40%	0.399	68%	0.683	S	S	.	*			trans	63.9	75.5	178.7	-154.4	0	0	0	0	117.1	Q580 Q581	S578-Q580 VanDerWaalsContact C-N 3.28Å; S578-Q581 WeakPolarHBondContact OG-CG 3.28Å; S578-Q581 PolarHBondContact OG-OE1 3.46Å
579	N	41.8	Very low	35.4	Very low	126 Å²	126	127.4 Å²	127.4	67%	0.674	67%	0.666	S	S	*	*	S	Bend	trans	-90.1	0.4	139.4	-83.7	-30.4	0	0	0	111.6	L582 L583	N579-L582 PolarHBondContact O-N 3.42Å; N579-L583 WeakPolarHBondContact O-CG 3.48Å; N579-L583 PolarHBondContact O-N 2.8Å; N579-L583 VanDerWaalsContact O-N 3.14Å
580	Q	42.7	Very low	35.8	Very low	99 Å²	99	127.6 Å²	127.6	46%	0.463	67%	0.667	S	S	.	*	H	α-helix	trans	-70.2	-51.5	-170.7	-151.7	160.2	-16.9	0	0	110.1	S578 L582 L583 D584	S578-Q580 VanDerWaalsContact C-N 3.28Å; Q580-L582 PolarHBondContact O-N 3.21Å; Q580-L582 VanDerWaalsContact O-N 3.16Å; Q580-L583 CarbonylContact O-C 3.57Å; Q580-L583 WeakPolarHBondContact O-CA 3.28Å; Q580-L583 WeakPolarHBondContact O-CB 3.47Å; Q580-L583 PolarHBondContact O-N 3.2Å; Q580-D584 VanDerWaalsContact O-CG 3.24Å; Q580-D584 PolarHBondContact O-N 3.46Å; Q580-D584 VanDerWaalsContact O-OD2 3.1Å
581	Q	42.3	Very low	36	Very low	138 Å²	138	127.2 Å²	127.2	65%	0.645	66%	0.656	S	S	*	*	H	α-helix	trans	-55	-35.9	173.3	-67.9	167	-54.5	0	0	113	S578 D584 E585	S578-Q581 WeakPolarHBondContact OG-CG 3.28Å; S578-Q581 PolarHBondContact OG-OE1 3.46Å; Q581-D584 PolarHBondContact O-N 3.49Å; Q581-E585 PolarHBondContact O-N 2.94Å
582	L	42.2	Very low	36.3	Very low	102 Å²	102	127.5 Å²	127.5	53%	0.534	66%	0.657	S	S	.	*	H	α-helix	trans	-72.2	-30.5	178.1	-158.7	81	0	0	0	112.6	N579 Q580 L586	N579-L582 PolarHBondContact O-N 3.42Å; Q580-L582 PolarHBondContact O-N 3.21Å; Q580-L582 VanDerWaalsContact O-N 3.16Å; L582-L586 WeakPolarHBondContact O-CB 3.27Å; L582-L586 WeakPolarHBondContact O-CD1 3.32Å; L582-L586 VanDerWaalsContact O-CG 3.28Å; L582-L586 WeakPolarHBondContact O-CG 3.33Å; L582-L586 PolarHBondContact O-N 3.08Å
583	L	42.2	Very low	36.3	Very low	62 Å²	62	126.3 Å²	126.3	33%	0.325	65%	0.652	S	S	.	*	H	α-helix	trans	-76.4	-38.9	171.6	-71.1	168.3	0	0	0	111	N579 Q580 L586 F587	N579-L583 WeakPolarHBondContact O-CG 3.48Å; N579-L583 PolarHBondContact O-N 2.8Å; N579-L583 VanDerWaalsContact O-N 3.14Å; Q580-L583 CarbonylContact O-C 3.57Å; Q580-L583 WeakPolarHBondContact O-CA 3.28Å; Q580-L583 WeakPolarHBondContact O-CB 3.47Å; Q580-L583 PolarHBondContact O-N 3.2Å; L583-L586 CarbonylContact O-C 3.17Å; L583-L586 WeakPolarHBondContact O-CA 3.21Å; L583-L586 WeakPolarHBondContact O-CB 3.39Å; L583-L586 PolarHBondContact O-N 3.21Å; L583-L586 VanDerWaalsContact O-N 3.07Å; L583-F587 HydrophobicContact CB-CD2 4.39Å; L583-F587 HydrophobicContact CB-CE2 4.31Å; L583-F587 HydrophobicContact CD2-CE2 4.35Å; L583-F587 WeakPolarHBondContact O-CD2 3.27Å; L583-F587 PolarHBondContact O-N 3.37Å
584	D	41.8	Very low	36.6	Very low	84 Å²	84	124.3 Å²	124.3	45%	0.449	65%	0.65	S	S	.	*	H	α-helix	trans	-67.7	-37.1	177.9	-60.2	-34.7	0	0	0	111.2	Q580 Q581 F587 S588	Q580-D584 VanDerWaalsContact O-CG 3.24Å; Q580-D584 PolarHBondContact O-N 3.46Å; Q580-D584 VanDerWaalsContact O-OD2 3.1Å; Q581-D584 PolarHBondContact O-N 3.49Å; D584-F587 PolarHBondContact O-N 2.96Å; D584-S588 WeakPolarHBondContact O-CB 3.31Å; D584-S588 PolarHBondContact O-N 3.2Å; D584-S588 PolarHBondContact O-OG 2.83Å
585	E	37.9	Very low	36.7	Very low	129 Å²	129	123 Å²	123	60%	0.603	65%	0.647	S	S	*	*	H	α-helix	trans	-58.8	-45.9	165	-80.3	-166.8	131.2	0	0	111.6	Q581 F587 A589	Q581-E585 PolarHBondContact O-N 2.94Å; E585-F587 VanDerWaalsContact C-N 3.3Å; E585-F587 PolarHBondContact O-N 3.06Å; E585-A589 WeakPolarHBondContact O-CB 3.45Å; E585-A589 PolarHBondContact O-N 3.27Å
586	L	39.5	Very low	36.8	Very low	125 Å²	125	126.9 Å²	126.9	65%	0.654	65%	0.647	S	S	*	*	H	α-helix	trans	-67	-24.8	-179.7	-80.4	167.6	0	0	0	114.3	L582 L583	L582-L586 WeakPolarHBondContact O-CB 3.27Å; L582-L586 WeakPolarHBondContact O-CD1 3.32Å; L582-L586 VanDerWaalsContact O-CG 3.28Å; L582-L586 WeakPolarHBondContact O-CG 3.33Å; L582-L586 PolarHBondContact O-N 3.08Å; L583-L586 CarbonylContact O-C 3.17Å; L583-L586 WeakPolarHBondContact O-CA 3.21Å; L583-L586 WeakPolarHBondContact O-CB 3.39Å; L583-L586 PolarHBondContact O-N 3.21Å; L583-L586 VanDerWaalsContact O-N 3.07Å
587	F	38.9	Very low	36.9	Very low	102 Å²	102	124 Å²	124	45%	0.447	63%	0.634	S	S	.	*	H	α-helix	trans	-98	-28.8	178	-69.6	-58.1	0	0	0	114	L583 D584 E585 L779	L583-F587 HydrophobicContact CB-CD2 4.39Å; L583-F587 HydrophobicContact CB-CE2 4.31Å; L583-F587 HydrophobicContact CD2-CE2 4.35Å; L583-F587 WeakPolarHBondContact O-CD2 3.27Å; L583-F587 PolarHBondContact O-N 3.37Å; D584-F587 PolarHBondContact O-N 2.96Å; E585-F587 VanDerWaalsContact C-N 3.3Å; E585-F587 PolarHBondContact O-N 3.06Å; F587-L779 HydrophobicContact CB-CD2 4.44Å
588	S	40.8	Very low	36.7	Very low	97 Å²	97	120.3 Å²	120.3	68%	0.678	62%	0.621	S	S	*	*	H	α-helix	trans	-84.8	-36.2	176.1	63.3	0	0	0	0	112.9	D584 Q590	D584-S588 WeakPolarHBondContact O-CB 3.31Å; D584-S588 PolarHBondContact O-N 3.2Å; D584-S588 PolarHBondContact O-OG 2.83Å; S588-Q590 PolarHBondContact O-N 2.92Å; S588-Q590 VanDerWaalsContact O-N 3.08Å
589	A	32.3	Very low	36.2	Very low	59 Å²	59	120.3 Å²	120.3	49%	0.488	62%	0.62	S	S	.	*			trans	-79.3	96.1	179.1	0	0	0	0	0	111.2	E585 P591	E585-A589 WeakPolarHBondContact O-CB 3.45Å; E585-A589 PolarHBondContact O-N 3.27Å; A589-P591 WeakPolarHBondContact O-CD 3.26Å
590	Q	34.1	Very low	35.8	Very low	186 Å²	186	120.2 Å²	120.2	87%	0.869	63%	0.626	S	S	*	*			trans	-86.7	87.7	144.7	-73.1	-158.6	13.6	0	0	109.5	S588 Q592	S588-Q590 PolarHBondContact O-N 2.92Å; S588-Q590 VanDerWaalsContact O-N 3.08Å; Q590-Q592 PolarHBondContact O-N 3.12Å; Q590-Q592 VanDerWaalsContact O-N 3.15Å
591	P	31.6	Very low	35.4	Very low	87 Å²	87	120.7 Å²	120.7	57%	0.565	63%	0.626	S	S	*	*			trans	-63.7	120.2	166.4	28.4	-33.4	0	0	0	107.9	A589 K593	A589-P591 WeakPolarHBondContact O-CD 3.26Å; P591-K593 PolarHBondContact O-N 2.73Å
592	Q	32	Very low	34.8	Very low	196 Å²	196	120.3 Å²	120.3	92%	0.916	64%	0.636	S	S	*	*			trans	-64.4	85.5	170.8	-71.6	-168.6	0.1	0	0	109.5	Q590 K594	Q590-Q592 PolarHBondContact O-N 3.12Å; Q590-Q592 VanDerWaalsContact O-N 3.15Å; Q592-K594 PolarHBondContact O-N 3.27Å
593	K	29	Very low	34.5	Very low	174 Å²	174	124.8 Å²	124.8	76%	0.757	65%	0.646	S	S	*	*			trans	-67	104.4	175.7	-77.9	178.2	176.8	169.1	0	108.5	P591 Q595	P591-K593 PolarHBondContact O-N 2.73Å; K593-Q595 PolarHBondContact O-N 2.86Å
594	K	32.8	Very low	34	Very low	207 Å²	207	128.7 Å²	128.7	90%	0.9	66%	0.656	S	S	*	*			trans	-44.5	116.8	162.4	-74.6	-174.1	173.1	-176.4	0	107.9	Q592	Q592-K594 PolarHBondContact O-N 3.27Å
595	Q	28.6	Very low	33.8	Very low	168 Å²	168	129.5 Å²	129.5	79%	0.785	67%	0.666	S	S	*	*			trans	-73.8	146	-176.8	-58.7	-172.5	46.2	0	0	108.8	K593	K593-Q595 PolarHBondContact O-N 2.86Å
596	K	30.8	Very low	33.8	Very low	169 Å²	169	128.3 Å²	128.3	74%	0.735	66%	0.663	S	S	*	*			trans	-109.9	127.8	160.7	-119.2	-167.3	176	-166.9	0	106.5	S464	S464-K596 PolarHBondContact OG-NZ 3.16Å
597	A	31.7	Very low	33.8	Very low	65 Å²	65	127.3 Å²	127.3	54%	0.537	66%	0.664	S	S	.	*	P	Polyproline II helix	trans	-61.1	143.8	-173.9	0	0	0	0	0	111.9
598	P	34.1	Very low	34.1	Very low	94 Å²	94	127.2 Å²	127.2	61%	0.61	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-70.7	163.2	167.4	33.2	-35.1	0	0	0	110.6
599	P	34	Very low	34.8	Very low	58 Å²	58	125.7 Å²	125.7	38%	0.377	66%	0.664	S	S	.	*	P	Polyproline II helix	trans	-62	151.9	171	29.9	-38.1	0	0	0	111.5
600	P	32.3	Very low	36	Very low	124 Å²	124	126.5 Å²	126.5	81%	0.805	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-62.9	145.5	-179.4	26.6	-35	0	0	0	111.8
601	K	34.9	Very low	37.1	Very low	108 Å²	108	120.6 Å²	120.6	47%	0.47	64%	0.642	S	S	.	*	P	Polyproline II helix	trans	-95.5	150.5	173	-65.5	174.4	-177.5	174.4	0	109.8	T438 W603	T438-K601 PolarHBondContact O-NZ 3.08Å; K601-W603 PolarHBondContact O-N 2.57Å
602	P	29.9	Very low	38.5	Very low	130 Å²	130	118.5 Å²	118.5	84%	0.844	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-63.1	134	171	27.9	-34.3	0	0	0	110.2
603	W	34.5	Very low	39.9	Very low	196 Å²	196	110.8 Å²	110.8	74%	0.742	60%	0.597	S	S	*	*			trans	-113.4	158.5	171.6	59.8	-86.1	0	0	0	109.8	K601	K601-W603 PolarHBondContact O-N 2.57Å
604	R	33.6	Very low	41.5	Very low	145 Å²	145	105.1 Å²	105.1	55%	0.547	57%	0.571	S	S	.	*			trans	-135.7	139.1	169.9	-81.3	-174.1	168.4	-169.1	-5.1	108.6	W426	W426-R604 HydrophobicContact CH2-CB 3.57Å; W426-R604 HydrophobicContact CZ2-CB 4.13Å; W426-R604 HydrophobicContact CZ3-CB 3.86Å
605	P	36.6	Very low	42.9	Very low	100 Å²	100	99.9 Å²	99.9	65%	0.649	55%	0.552	S	S	*	*			trans	-64.6	141.1	168.9	28.8	-33.6	0	0	0	109.8
606	L	38.2	Very low	44.5	Very low	105 Å²	105	94.5 Å²	94.5	55%	0.55	52%	0.524	S	S	.	.			trans	-91	123.7	167.2	-76.8	166	0	0	0	108.1	W426 C608	W426-L606 HydrophobicContact CH2-CD2 3.5Å; W426-L606 VanDerWaalsContact CH2-CD2 3.5Å; W426-L606 HydrophobicContact CH2-CG 3.97Å; W426-L606 HydrophobicContact CZ2-CD2 4Å; W426-L606 HydrophobicContact CZ3-CD2 4Å; W426-L606 HydrophobicContact CZ3-CG 4.4Å; L606-C608 PolarHBondContact O-N 3.27Å; L606-C608 VanDerWaalsContact O-N 3.13Å
607	P	38.3	Very low	45.9	Very low	104 Å²	104	87.6 Å²	87.6	68%	0.675	50%	0.495	S	S	*	.			trans	-70.5	108.1	174.5	28.4	-32.4	0	0	0	109.6
608	C	46.3	Very low	47.4	Very low	99 Å²	99	90.1 Å²	90.1	67%	0.669	50%	0.496	S	S	*	.			trans	-115.5	125.8	174.4	58.3	0	0	0	0	110.8	L606	L606-C608 PolarHBondContact O-N 3.27Å; L606-C608 VanDerWaalsContact O-N 3.13Å
609	S	55.7	Low	48.7	Very low	65 Å²	65	93.2 Å²	93.2	46%	0.455	50%	0.496	S	S	.	.			trans	-88.9	112	170.7	173	0	0	0	0	109.5	A611 A612 L613	S609-A611 PolarHBondContact O-N 2.92Å; S609-A611 PolarHBondContact OG-N 2.7Å; S609-A612 PolarHBondContact O-N 2.8Å; S609-A612 VanDerWaalsContact O-N 3.12Å; S609-A612 PolarHBondContact OG-N 2.81Å; S609-L613 PolarHBondContact O-N 3.04Å
610	M	57.8	Low	49.9	Very low	77 Å²	77	92.8 Å²	92.8	38%	0.379	49%	0.49	S	S	.	.	H	α-helix	trans	-60.4	-28.2	174.3	-72	-64	-74.4	0	0	112.1	L613 R614 P837	M610-L613 HydrophobicContact SD-CD2 4.21Å; M610-R614 VanDerWaalsContact O-CB 3.31Å; M610-R614 WeakPolarHBondContact O-CB 3.03Å; M610-R614 VanDerWaalsContact O-CG 3.26Å; M610-R614 WeakPolarHBondContact O-CG 3.09Å; M610-R614 PolarHBondContact O-N 3.43Å; M610-P837 HydrophobicContact CE-CG 3.99Å
611	A	56.8	Low	51.1	Low	62 Å²	62	91.1 Å²	91.1	51%	0.512	48%	0.481	S	S	.	.	H	α-helix	trans	-69.2	-43.9	173.2	0	0	0	0	0	112	S609 R614 L615	S609-A611 PolarHBondContact O-N 2.92Å; S609-A611 PolarHBondContact OG-N 2.7Å; A611-R614 PolarHBondContact O-N 3.32Å; A611-L615 WeakPolarHBondContact O-CG 3.4Å; A611-L615 PolarHBondContact O-N 3.49Å
612	A	59.7	Low	51.9	Low	43 Å²	43	90.1 Å²	90.1	36%	0.355	49%	0.493	S	S	.	.	H	α-helix	trans	-64.9	-40.6	175.7	0	0	0	0	0	111.8	S609 L615 R616	S609-A612 PolarHBondContact O-N 2.8Å; S609-A612 VanDerWaalsContact O-N 3.12Å; S609-A612 PolarHBondContact OG-N 2.81Å; A612-L615 PolarHBondContact O-N 3.4Å; A612-R616 WeakPolarHBondContact O-CB 3.38Å; A612-R616 PolarHBondContact O-N 3.47Å
613	L	62.6	Low	53	Low	34 Å²	34	90.5 Å²	90.5	18%	0.178	48%	0.483	C	S	.	.	H	α-helix	trans	-61.8	-47.5	173.7	-177.7	62	0	0	0	111.3	S609 M610 L615 R616 L617 V635	S609-L613 PolarHBondContact O-N 3.04Å; M610-L613 HydrophobicContact SD-CD2 4.21Å; L613-L615 PolarHBondContact O-N 2.98Å; L613-R616 PolarHBondContact O-N 2.81Å; L613-L617 HydrophobicContact CD1-CD1 4.18Å; L613-L617 HydrophobicContact CD1-CG 4.22Å; L613-L617 HydrophobicContact CG-CD1 3.94Å; L613-L617 HydrophobicContact CG-CG 4.4Å; L613-L617 WeakPolarHBondContact O-CB 3.41Å; L613-L617 VanDerWaalsContact O-CG 3.24Å; L613-L617 WeakPolarHBondContact O-CG 3.27Å; L613-L617 PolarHBondContact O-N 3.5Å; L613-V635 HydrophobicContact CD1-CG1 4.31Å
614	R	62	Low	53.7	Low	55 Å²	55	83.8 Å²	83.8	21%	0.208	47%	0.467	C	S	.	.	H	α-helix	trans	-58.3	-45.8	176	-80.1	172.1	168.3	155.7	-1.3	112	M610 A611 R616 L617 Q618 P837 T839 E842	M610-R614 VanDerWaalsContact O-CB 3.31Å; M610-R614 WeakPolarHBondContact O-CB 3.03Å; M610-R614 VanDerWaalsContact O-CG 3.26Å; M610-R614 WeakPolarHBondContact O-CG 3.09Å; M610-R614 PolarHBondContact O-N 3.43Å; A611-R614 PolarHBondContact O-N 3.32Å; R614-R616 PolarHBondContact O-N 2.95Å; R614-L617 PolarHBondContact O-N 3.01Å; R614-Q618 WeakPolarHBondContact O-CB 3.36Å; R614-Q618 VanDerWaalsContact O-CG 3.28Å; R614-Q618 WeakPolarHBondContact O-CG 3.48Å; R614-Q618 PolarHBondContact O-N 3.4Å; R614-P837 PolarHBondContact NH2-O 3.25Å; R614-T839 PolarHBondContact NH1-O 3.07Å; R614-T839 PolarHBondContact NH2-O 2.76Å; R614-E842 PolarHBondContact NH2-OXT 3.43Å
615	L	61.8	Low	54.3	Low	97 Å²	97	81 Å²	81	51%	0.508	48%	0.483	S	S	.	.	H	α-helix	trans	-62.7	-40.7	176.9	-76	167.1	0	0	0	112.9	A611 A612 L613 Q618 R619	A611-L615 WeakPolarHBondContact O-CG 3.4Å; A611-L615 PolarHBondContact O-N 3.49Å; A612-L615 PolarHBondContact O-N 3.4Å; L613-L615 PolarHBondContact O-N 2.98Å; L615-Q618 PolarHBondContact O-N 3.08Å; L615-R619 WeakPolarHBondContact O-CG 3.48Å; L615-R619 PolarHBondContact O-N 3.07Å
616	R	62	Low	54.7	Low	55 Å²	55	80.2 Å²	80.2	21%	0.208	49%	0.485	C	S	.	.	H	α-helix	trans	-69.7	-40.1	177.5	-168.9	165.7	175.4	152.8	-9.4	111.9	C405 D406 A612 L613 R614 R619 L620	C405-R616 PolarHBondContact O-NH1 3.31Å; C405-R616 PolarHBondContact O-NH2 2.84Å; D406-R616 IonicContact OD1-CZ 2.96Å; D406-R616 IonicContact OD1-NE 3.64Å; D406-R616 PolarHBondContact OD1-NE 3.35Å; D406-R616 IonicContact OD1-NH1 3.48Å; D406-R616 PolarHBondContact OD1-NH1 3.32Å; D406-R616 IonicContact OD1-NH2 2.71Å; D406-R616 PolarHBondContact OD1-NH2 3.05Å; D406-R616 VanDerWaalsContact OD1-NH2 3.15Å; D406-R616 IonicContact OD2-NH1 3.54Å; A612-R616 WeakPolarHBondContact O-CB 3.38Å; A612-R616 PolarHBondContact O-N 3.47Å; L613-R616 PolarHBondContact O-N 2.81Å; R614-R616 PolarHBondContact O-N 2.95Å; R616-R619 PolarHBondContact O-N 3.03Å; R616-L620 HydrophobicContact CG-CD1 4.46Å; R616-L620 WeakPolarHBondContact O-CG 3.4Å; R616-L620 PolarHBondContact O-N 3.46Å
617	L	62.1	Low	55.1	Low	24 Å²	24	79.4 Å²	79.4	13%	0.126	49%	0.493	C	S	.	.	H	α-helix	trans	-63.2	-40	172.4	-69.8	173.1	0	0	0	112	L613 R614 L620 S621 V635 L647 V836	L613-L617 HydrophobicContact CD1-CD1 4.18Å; L613-L617 HydrophobicContact CD1-CG 4.22Å; L613-L617 HydrophobicContact CG-CD1 3.94Å; L613-L617 HydrophobicContact CG-CG 4.4Å; L613-L617 WeakPolarHBondContact O-CB 3.41Å; L613-L617 VanDerWaalsContact O-CG 3.24Å; L613-L617 WeakPolarHBondContact O-CG 3.27Å; L613-L617 PolarHBondContact O-N 3.5Å; R614-L617 PolarHBondContact O-N 3.01Å; L617-L620 PolarHBondContact O-N 3.21Å; L617-S621 WeakPolarHBondContact O-CB 3.47Å; L617-S621 PolarHBondContact O-N 2.68Å; L617-S621 PolarHBondContact O-OG 3.49Å; L617-V635 HydrophobicContact CD2-CG1 3.91Å; L617-V635 HydrophobicContact CD2-CG2 3.88Å; L617-L647 HydrophobicContact CD2-CD1 4.27Å; L617-L647 HydrophobicContact CD2-CD2 4.05Å; L617-V836 HydrophobicContact CD1-CG1 4.09Å; L617-V836 HydrophobicContact CD1-CG2 4.18Å
618	Q	63.2	Low	55.6	Low	118 Å²	118	75.6 Å²	75.6	55%	0.551	47%	0.473	S	S	*	.	H	α-helix	trans	-62.4	-46.4	174.3	-77.4	170	-19.1	0	0	111.7	R614 L615 S621 A622	R614-Q618 WeakPolarHBondContact O-CB 3.36Å; R614-Q618 VanDerWaalsContact O-CG 3.28Å; R614-Q618 WeakPolarHBondContact O-CG 3.48Å; R614-Q618 PolarHBondContact O-N 3.4Å; L615-Q618 PolarHBondContact O-N 3.08Å; Q618-S621 WeakPolarHBondContact CA-OG 3.22Å; Q618-S621 PolarHBondContact O-N 2.99Å; Q618-S621 PolarHBondContact O-OG 3.02Å; Q618-A622 PolarHBondContact O-N 3.4Å
619	R	61	Low	55.7	Low	159 Å²	159	74.1 Å²	74.1	60%	0.6	46%	0.462	S	S	*	.	H	α-helix	trans	-58.4	-48.7	174.5	-72.6	174.6	-177.2	177.5	0.4	112.1	L615 R616 S621 A622 Q623	L615-R619 WeakPolarHBondContact O-CG 3.48Å; L615-R619 PolarHBondContact O-N 3.07Å; R616-R619 PolarHBondContact O-N 3.03Å; R619-S621 VanDerWaalsContact C-N 3.29Å; R619-S621 PolarHBondContact O-N 2.84Å; R619-A622 PolarHBondContact O-N 3.17Å; R619-Q623 WeakPolarHBondContact O-CG 3.39Å; R619-Q623 PolarHBondContact O-N 3.44Å; R619-Q623 PolarHBondContact O-OE1 2.95Å
620	L	58	Low	55.6	Low	48 Å²	48	80.4 Å²	80.4	25%	0.251	48%	0.476	S	S	.	.	H	α-helix	trans	-60.2	-37.5	176.6	-70.7	169	0	0	0	112.1	R616 L617 A622 Q623 S624 V635	R616-L620 HydrophobicContact CG-CD1 4.46Å; R616-L620 WeakPolarHBondContact O-CG 3.4Å; R616-L620 PolarHBondContact O-N 3.46Å; L617-L620 PolarHBondContact O-N 3.21Å; L620-A622 VanDerWaalsContact C-N 3.33Å; L620-A622 PolarHBondContact O-N 2.83Å; L620-Q623 PolarHBondContact O-N 3.26Å; L620-S624 WeakPolarHBondContact O-CB 3.44Å; L620-S624 PolarHBondContact O-N 2.91Å; L620-V635 HydrophobicContact CD1-CG1 4.15Å
621	S	57.1	Low	55.7	Low	90 Å²	90	78 Å²	78	63%	0.629	47%	0.471	S	S	*	.	H	α-helix	trans	-69.7	-27.3	175.3	74.2	0	0	0	0	113.9	L617 Q618 R619	L617-S621 WeakPolarHBondContact O-CB 3.47Å; L617-S621 PolarHBondContact O-N 2.68Å; L617-S621 PolarHBondContact O-OG 3.49Å; Q618-S621 WeakPolarHBondContact CA-OG 3.22Å; Q618-S621 PolarHBondContact O-N 2.99Å; Q618-S621 PolarHBondContact O-OG 3.02Å; R619-S621 VanDerWaalsContact C-N 3.29Å; R619-S621 PolarHBondContact O-N 2.84Å
622	A	53.3	Low	56.3	Low	87 Å²	87	76 Å²	76	72%	0.719	45%	0.451	S	S	*	.	H	α-helix	trans	-83.9	-28.4	175.7	0	0	0	0	0	113	Q618 R619 L620	Q618-A622 PolarHBondContact O-N 3.4Å; R619-A622 PolarHBondContact O-N 3.17Å; L620-A622 VanDerWaalsContact C-N 3.33Å; L620-A622 PolarHBondContact O-N 2.83Å
623	Q	52.6	Low	56.8	Low	137 Å²	137	75.9 Å²	75.9	64%	0.64	45%	0.447	S	S	*	.	H	α-helix	trans	-81	-30.4	176	-71	169.2	-44.2	0	0	112.6	R619 L620 G625	R619-Q623 WeakPolarHBondContact O-CG 3.39Å; R619-Q623 PolarHBondContact O-N 3.44Å; R619-Q623 PolarHBondContact O-OE1 2.95Å; L620-Q623 PolarHBondContact O-N 3.26Å; Q623-G625 VanDerWaalsContact C-N 3.33Å; Q623-G625 PolarHBondContact O-N 3.23Å
624	S	48.1	Very low	57.5	Low	56 Å²	56	75.4 Å²	75.4	39%	0.392	45%	0.446	S	S	.	.			trans	-82.6	72.1	-174.9	-163.1	0	0	0	0	113	L620 A626	L620-S624 WeakPolarHBondContact O-CB 3.44Å; L620-S624 PolarHBondContact O-N 2.91Å; S624-A626 PolarHBondContact O-N 2.89Å; S624-A626 VanDerWaalsContact O-N 3.15Å; S624-A626 PolarHBondContact OG-O 3.24Å
625	G	46.6	Very low	58	Low	86 Å²	86	73.3 Å²	73.3	89%	0.887	44%	0.44	S	S	*	.	S	Bend	trans	-65.2	-6	170.9	0	0	0	0	0	114.7	Q623	Q623-G625 VanDerWaalsContact C-N 3.33Å; Q623-G625 PolarHBondContact O-N 3.23Å
626	A	44.7	Very low	58.4	Low	84 Å²	84	69.5 Å²	69.5	69%	0.694	42%	0.424	S	S	*	.	S	Bend	trans	-138.7	101.8	173.4	0	0	0	0	0	109.7	S624 G628	S624-A626 PolarHBondContact O-N 2.89Å; S624-A626 VanDerWaalsContact O-N 3.15Å; S624-A626 PolarHBondContact OG-O 3.24Å; A626-G628 PolarHBondContact O-N 2.89Å
627	A	46.8	Very low	59	Low	87 Å²	87	70.7 Å²	70.7	72%	0.719	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-62.8	126.2	174.8	0	0	0	0	0	110.6
628	G	50.1	Low	59.3	Low	24 Å²	24	71.9 Å²	71.9	25%	0.247	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-59.7	158.1	171	0	0	0	0	0	111.8	A626 R630 G631	A626-G628 PolarHBondContact O-N 2.89Å; G628-R630 PolarHBondContact O-N 3.36Å; G628-G631 PolarHBondContact O-N 3.38Å
629	P	47.9	Very low	58.8	Low	68 Å²	68	70.9 Å²	70.9	44%	0.442	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-46.7	130.3	-176.1	-30.5	36.9	0	0	0	113.2	G631 E810	P629-G631 PolarHBondContact O-N 3.41Å; P629-E810 WeakPolarHBondContact CD-OE1 3.48Å; P629-E810 HydrophobicContact CG-CG 4.05Å
630	R	52.9	Low	58.4	Low	198 Å²	198	66 Å²	66	75%	0.747	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	56.3	14.5	178.9	-53.7	-168.8	172.8	-150.2	-6.3	116	G628 E813	G628-R630 PolarHBondContact O-N 3.36Å; R630-E813 WeakPolarHBondContact CB-OE2 3.14Å; R630-E813 VanDerWaalsContact CD-OE2 3.27Å; R630-E813 WeakPolarHBondContact CD-OE2 3.35Å; R630-E813 WeakPolarHBondContact CG-OE2 3.44Å
631	G	60.1	Low	58.2	Low	27 Å²	27	66.3 Å²	66.3	28%	0.278	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	72.5	34	173.3	0	0	0	0	0	114.1	G628 P629 C648 G649	G628-G631 PolarHBondContact O-N 3.38Å; P629-G631 PolarHBondContact O-N 3.41Å; G631-C648 CarbonylContact O-C 3.43Å; G631-C648 WeakPolarHBondContact O-CA 3.46Å; G631-G649 PolarHBondContact O-N 2.79Å
632	L	69.2	Low	58.5	Low	19 Å²	19	64.1 Å²	64.1	10%	0.099	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	122.5	163.4	-66.8	174.5	0	0	0	109.5	I646 L647 C648 L809 E813 L830	L632-I646 HydrophobicContact CB-CG2 4.18Å; L632-I646 HydrophobicContact CD2-CG2 4.02Å; L632-L647 CarbonylContact C-O 3.57Å; L632-L647 WeakPolarHBondContact CA-O 3.48Å; L632-C648 HydrophobicContact CD2-CB 3.66Å; L632-L809 HydrophobicContact CB-CD1 4.36Å; L632-L809 HydrophobicContact CD1-CB 4.43Å; L632-L809 HydrophobicContact CD1-CD2 4.35Å; L632-E813 HydrophobicContact CD1-CG 4.08Å; L632-L830 HydrophobicContact CD2-CD2 4.42Å
633	C	71.6	Confident	59.6	Low	40 Å²	40	60 Å²	60	27%	0.27	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	124.6	-178.2	-176.9	0	0	0	0	111.1	V635 I646 L647	C633-V635 PolarHBondContact O-N 3.22Å; C633-I646 CarbonylContact O-C 3.57Å; C633-I646 WeakPolarHBondContact O-CA 3.41Å; C633-L647 PolarHBondContact N-O 3.11Å; C633-L647 PolarHBondContact O-N 2.78Å
634	P	75.9	Confident	60.9	Low	24 Å²	24	54.6 Å²	54.6	16%	0.156	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	126.7	174.2	29	-32.8	0	0	0	111	W644 I646	P634-W644 HydrophobicContact CB-CE3 4.05Å; P634-W644 HydrophobicContact CB-CZ3 4.13Å; P634-I646 HydrophobicContact CB-CD1 3.92Å
635	V	72.3	Confident	62.5	Low	12 Å²	12	53.5 Å²	53.5	7%	0.073	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	-32.5	-178.5	-174.2	0	0	0	0	111.6	L613 L617 L620 C633 L645 L647	L613-V635 HydrophobicContact CD1-CG1 4.31Å; L617-V635 HydrophobicContact CD2-CG1 3.91Å; L617-V635 HydrophobicContact CD2-CG2 3.88Å; L620-V635 HydrophobicContact CD1-CG1 4.15Å; C633-V635 PolarHBondContact O-N 3.22Å; V635-L645 HydrophobicContact CB-CB 4.31Å; V635-L645 PolarHBondContact N-O 2.84Å; V635-L647 HydrophobicContact CG2-CB 3.8Å
636	G	70.8	Confident	64.2	Low	16 Å²	16	49.4 Å²	49.4	17%	0.165	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.3	165.2	176.5	0	0	0	0	0	114.2	L645	G636-L645 PolarHBondContact O-N 2.85Å
637	R	75.2	Confident	65.7	Low	80 Å²	80	46.5 Å²	46.5	30%	0.302	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	136	177.7	-175.1	177.1	170.3	-169.7	-3.3	111	A639 N642 W644 S798 D799	R637-A639 PolarHBondContact O-N 2.65Å; R637-N642 PolarHBondContact NH2-OD1 2.94Å; R637-W644 HydrophobicContact CB-CD2 4.09Å; R637-W644 HydrophobicContact CB-CE3 4.42Å; R637-W644 HydrophobicContact CB-CH2 4.11Å; R637-W644 HydrophobicContact CB-CZ2 3.76Å; R637-W644 HydrophobicContact CB-CZ3 4.43Å; R637-W644 HydrophobicContact CG-CZ2 4.28Å; R637-S798 PolarHBondContact NH2-O 3.15Å; R637-D799 IonicContact CZ-OD1 3.65Å; R637-D799 IonicContact NH1-OD1 3.8Å; R637-D799 PolarHBondContact NH1-OD1 3.09Å; R637-D799 IonicContact NH2-OD1 2.75Å; R637-D799 PolarHBondContact NH2-OD1 2.87Å
638	L	68.1	Low	67.1	Low	49 Å²	49	43.5 Å²	43.5	26%	0.257	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	103.6	167.1	-64.7	178.9	0	0	0	109.2	S640 Q641 A643 L645 L655	L638-S640 PolarHBondContact O-N 2.76Å; L638-Q641 PolarHBondContact O-N 2.9Å; L638-Q641 VanDerWaalsContact O-N 3.09Å; L638-A643 PolarHBondContact N-O 2.85Å; L638-L645 HydrophobicContact CD2-CD1 4.1Å; L638-L645 HydrophobicContact CD2-CG 4.35Å; L638-L645 HydrophobicContact CG-CG 4.39Å; L638-L655 HydrophobicContact CD1-CD1 3.78Å
639	A	51.8	Low	67.9	Low	98 Å²	98	45.1 Å²	45.1	81%	0.81	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-22.1	-169.6	0	0	0	0	0	115.5	R637	R637-A639 PolarHBondContact O-N 2.65Å
640	S	53.4	Low	68.8	Low	57 Å²	57	44.4 Å²	44.4	40%	0.399	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-9.7	-177.9	53.8	0	0	0	0	115.5	L638	L638-S640 PolarHBondContact O-N 2.76Å
641	Q	53.8	Low	69.6	Low	54 Å²	54	42.7 Å²	42.7	25%	0.252	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.6	3.7	-161.9	-68.5	179.7	10.2	0	0	116.7	L638 A643	L638-Q641 PolarHBondContact O-N 2.9Å; L638-Q641 VanDerWaalsContact O-N 3.09Å; Q641-A643 PolarHBondContact O-N 3.17Å; Q641-A643 VanDerWaalsContact O-N 3.09Å
642	N	63.9	Low	70.3	Confident	44 Å²	44	48 Å²	48	24%	0.235	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	30.9	-178.7	-62.4	-0.8	0	0	0	114.1	R637 P658 F659 S798	R637-N642 PolarHBondContact NH2-OD1 2.94Å; N642-P658 WeakPolarHBondContact O-CD 3.39Å; N642-F659 HydrophobicContact CB-CE2 4.33Å; N642-S798 PolarHBondContact ND2-O 3.12Å
643	A	75.1	Confident	70.7	Confident	0 Å²	0	48 Å²	48	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	149.3	176.4	0	0	0	0	0	109.6	L638 Q641 L655 L656	L638-A643 PolarHBondContact N-O 2.85Å; Q641-A643 PolarHBondContact O-N 3.17Å; Q641-A643 VanDerWaalsContact O-N 3.09Å; A643-L655 HydrophobicContact CB-CD1 3.79Å; A643-L655 HydrophobicContact CB-CG 4.38Å; A643-L656 WeakPolarHBondContact CA-O 3.41Å
644	W	81.3	Confident	71.1	Confident	23 Å²	23	46.6 Å²	46.6	9%	0.087	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	132.8	-172.4	-84.2	83.4	0	0	0	111.1	P634 R637 I646 L656 L800 V805	P634-W644 HydrophobicContact CB-CE3 4.05Å; P634-W644 HydrophobicContact CB-CZ3 4.13Å; R637-W644 HydrophobicContact CB-CD2 4.09Å; R637-W644 HydrophobicContact CB-CE3 4.42Å; R637-W644 HydrophobicContact CB-CH2 4.11Å; R637-W644 HydrophobicContact CB-CZ2 3.76Å; R637-W644 HydrophobicContact CB-CZ3 4.43Å; R637-W644 HydrophobicContact CG-CZ2 4.28Å; W644-I646 HydrophobicContact CB-CD1 4.08Å; W644-L656 HydrophobicContact CB-CB 4.28Å; W644-L656 PolarHBondContact N-O 3.23Å; W644-L656 PolarHBondContact O-N 3.13Å; W644-L800 WeakPolarHBondContact CZ2-O 3.46Å; W644-V805 HydrophobicContact CB-CG1 4.28Å; W644-V805 HydrophobicContact CD2-CB 4.43Å; W644-V805 HydrophobicContact CD2-CG1 4.18Å; W644-V805 HydrophobicContact CD2-CG2 4.06Å; W644-V805 HydrophobicContact CE3-CG1 4.46Å; W644-V805 HydrophobicContact CG-CG1 4.1Å; W644-V805 HydrophobicContact CG-CG2 4.07Å; W644-V805 HydrophobicContact CZ2-CG2 4.37Å
645	L	81.8	Confident	71.5	Confident	33 Å²	33	46.2 Å²	46.2	17%	0.173	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	121.2	170.8	-69.2	174.9	0	0	0	108.7	V635 G636 L638 L653 M654 L655 L833	V635-L645 HydrophobicContact CB-CB 4.31Å; V635-L645 PolarHBondContact N-O 2.84Å; G636-L645 PolarHBondContact O-N 2.85Å; L638-L645 HydrophobicContact CD2-CD1 4.1Å; L638-L645 HydrophobicContact CD2-CG 4.35Å; L638-L645 HydrophobicContact CG-CG 4.39Å; L645-L653 HydrophobicContact CB-CD1 4.28Å; L645-L653 HydrophobicContact CD2-CD1 4.34Å; L645-L653 HydrophobicContact CD2-CD2 4.39Å; L645-L653 HydrophobicContact CD2-CG 4.34Å; L645-M654 WeakPolarHBondContact CA-O 3.05Å; L645-L655 HydrophobicContact CD2-CD1 4.1Å; L645-L833 HydrophobicContact CD2-CD1 3.64Å
646	I	80.9	Confident	72.1	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	125.6	-179.8	-50.1	-58	0	0	0	108.3	L632 C633 P634 W644 M654 L656 V805 L809 L830	L632-I646 HydrophobicContact CB-CG2 4.18Å; L632-I646 HydrophobicContact CD2-CG2 4.02Å; C633-I646 CarbonylContact O-C 3.57Å; C633-I646 WeakPolarHBondContact O-CA 3.41Å; P634-I646 HydrophobicContact CB-CD1 3.92Å; W644-I646 HydrophobicContact CB-CD1 4.08Å; I646-M654 HydrophobicContact CB-CB 4.39Å; I646-M654 PolarHBondContact N-O 2.85Å; I646-M654 WeakPolarHBondContact O-CA 3.48Å; I646-M654 WeakPolarHBondContact O-CB 3.47Å; I646-M654 PolarHBondContact O-N 2.91Å; I646-L656 HydrophobicContact CD1-CB 4.33Å; I646-L656 HydrophobicContact CD1-CD2 4.16Å; I646-L656 HydrophobicContact CG1-CB 3.65Å; I646-L656 HydrophobicContact CG1-CD2 4.19Å; I646-V805 HydrophobicContact CD1-CG1 4.04Å; I646-L809 HydrophobicContact CD1-CD1 3.82Å; I646-L809 HydrophobicContact CG1-CD1 4.06Å; I646-L809 HydrophobicContact CG2-CD1 3.89Å; I646-L830 HydrophobicContact CB-CD1 4.36Å; I646-L830 HydrophobicContact CG1-CD1 4.26Å
647	L	77.2	Confident	72.8	Confident	23 Å²	23	45.2 Å²	45.2	12%	0.12	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	130.9	168.3	-168.2	74.9	0	0	0	108.9	L617 L632 C633 V635 R652 V836	L617-L647 HydrophobicContact CD2-CD1 4.27Å; L617-L647 HydrophobicContact CD2-CD2 4.05Å; L632-L647 CarbonylContact C-O 3.57Å; L632-L647 WeakPolarHBondContact CA-O 3.48Å; C633-L647 PolarHBondContact N-O 3.11Å; C633-L647 PolarHBondContact O-N 2.78Å; V635-L647 HydrophobicContact CG2-CB 3.8Å; L647-R652 CarbonylContact C-O 3.46Å; L647-R652 WeakPolarHBondContact CA-O 3.28Å; L647-V836 HydrophobicContact CD1-CG2 4.23Å
648	C	75.1	Confident	73.2	Confident	24 Å²	24	41.5 Å²	41.5	16%	0.162	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	120.9	178.8	177.5	0	0	0	0	109.6	G631 L632 G650 R652 M654	G631-C648 CarbonylContact O-C 3.43Å; G631-C648 WeakPolarHBondContact O-CA 3.46Å; L632-C648 HydrophobicContact CD2-CB 3.66Å; C648-G650 VanDerWaalsContact C-N 3.29Å; C648-G650 PolarHBondContact O-N 3.35Å; C648-R652 HydrophobicContact CB-CB 4.13Å; C648-R652 PolarHBondContact N-O 2.76Å; C648-R652 WeakPolarHBondContact O-CB 3.42Å; C648-R652 PolarHBondContact O-N 2.85Å; C648-M654 HydrophobicContact CB-CG 3.7Å
649	G	68.3	Low	73.9	Confident	58 Å²	58	40.7 Å²	40.7	60%	0.598	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.3	33.1	178.7	0	0	0	0	0	113.8	G631 R651	G631-G649 PolarHBondContact O-N 2.79Å; G649-R651 PolarHBondContact O-N 2.72Å
650	G	65.6	Low	75.5	Confident	54 Å²	54	36.7 Å²	36.7	56%	0.557	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.5	-16.2	177.4	0	0	0	0	0	116.4	C648	C648-G650 VanDerWaalsContact C-N 3.29Å; C648-G650 PolarHBondContact O-N 3.35Å
651	R	69.4	Low	77	Confident	162 Å²	162	34 Å²	34	61%	0.611	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-125.2	-30.2	-176.7	-64.2	-173.3	-178	-166.2	-1.4	114.9	G649 D835 V836	G649-R651 PolarHBondContact O-N 2.72Å; R651-D835 CarbonylContact O-C 3.6Å; R651-V836 WeakPolarHBondContact O-CG2 3.48Å; R651-V836 PolarHBondContact O-N 3.22Å
652	R	75.1	Confident	78.6	Confident	137 Å²	137	32.4 Å²	32.4	52%	0.517	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	117.5	-173.3	-55.5	-140	157.6	125.4	-1.7	111.4	L647 C648 M654 D835	L647-R652 CarbonylContact C-O 3.46Å; L647-R652 WeakPolarHBondContact CA-O 3.28Å; C648-R652 HydrophobicContact CB-CB 4.13Å; C648-R652 PolarHBondContact N-O 2.76Å; C648-R652 WeakPolarHBondContact O-CB 3.42Å; C648-R652 PolarHBondContact O-N 2.85Å; R652-M654 HydrophobicContact CB-SD 4.28Å; R652-D835 WeakPolarHBondContact CA-OD1 3.44Å; R652-D835 WeakPolarHBondContact CB-OD1 3.39Å; R652-D835 WeakPolarHBondContact CD-OD1 3.37Å; R652-D835 WeakPolarHBondContact CG-OD1 3.16Å; R652-D835 IonicContact CZ-OD2 3.85Å; R652-D835 IonicContact NE-OD1 3.28Å; R652-D835 PolarHBondContact NE-OD1 2.72Å; R652-D835 IonicContact NE-OD2 3.04Å; R652-D835 PolarHBondContact NE-OD2 2.85Å; R652-D835 IonicContact NH2-OD2 3.72Å
653	L	78.3	Confident	79.8	Confident	20 Å²	20	30.9 Å²	30.9	11%	0.105	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	120	172.4	-169.4	65.7	0	0	0	109.6	L645 L833 A834 V836	L645-L653 HydrophobicContact CB-CD1 4.28Å; L645-L653 HydrophobicContact CD2-CD1 4.34Å; L645-L653 HydrophobicContact CD2-CD2 4.39Å; L645-L653 HydrophobicContact CD2-CG 4.34Å; L653-L833 HydrophobicContact CD2-CD1 4.45Å; L653-L833 HydrophobicContact CG-CD1 4.45Å; L653-L833 PolarHBondContact O-N 2.76Å; L653-A834 WeakPolarHBondContact CA-O 3.34Å; L653-A834 WeakPolarHBondContact CB-O 3.5Å; L653-A834 PolarHBondContact N-O 2.96Å; L653-A834 PolarHBondContact O-N 2.9Å; L653-V836 HydrophobicContact CB-CG2 4.28Å
654	M	80.1	Confident	80.4	Confident	11 Å²	11	31.1 Å²	31.1	5%	0.054	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	151.9	-178.3	-50.4	-67.5	-65.4	0	0	110.5	L645 I646 C648 R652 L830 Q831 H832	L645-M654 WeakPolarHBondContact CA-O 3.05Å; I646-M654 HydrophobicContact CB-CB 4.39Å; I646-M654 PolarHBondContact N-O 2.85Å; I646-M654 WeakPolarHBondContact O-CA 3.48Å; I646-M654 WeakPolarHBondContact O-CB 3.47Å; I646-M654 PolarHBondContact O-N 2.91Å; C648-M654 HydrophobicContact CB-CG 3.7Å; R652-M654 HydrophobicContact CB-SD 4.28Å; M654-L830 HydrophobicContact CB-CD1 3.84Å; M654-L830 HydrophobicContact CB-CG 4.02Å; M654-L830 HydrophobicContact CE-CD2 3.93Å; M654-L830 HydrophobicContact CE-CG 3.8Å; M654-L830 HydrophobicContact CG-CD2 4.44Å; M654-L830 HydrophobicContact CG-CG 4.41Å; M654-Q831 CarbonylContact C-O 3.54Å; M654-Q831 VanDerWaalsContact CA-O 3.23Å; M654-Q831 WeakPolarHBondContact CA-O 3.18Å; M654-H832 HydrophobicContact CE-CB 4.05Å; M654-H832 HydrophobicContact SD-CB 3.88Å
655	L	84	Confident	80.7	Confident	15 Å²	15	30.3 Å²	30.3	8%	0.079	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	116.1	171.9	-168.8	56.3	0	0	0	109.8	W434 L638 A643 L645 L830 Q831 L833	W434-L655 HydrophobicContact CH2-CD2 4.09Å; W434-L655 HydrophobicContact CZ2-CD2 3.67Å; L638-L655 HydrophobicContact CD1-CD1 3.78Å; A643-L655 HydrophobicContact CB-CD1 3.79Å; A643-L655 HydrophobicContact CB-CG 4.38Å; L645-L655 HydrophobicContact CD2-CD1 4.1Å; L655-L830 WeakPolarHBondContact O-CA 3.24Å; L655-Q831 PolarHBondContact N-O 2.92Å; L655-Q831 PolarHBondContact O-N 3.02Å; L655-L833 HydrophobicContact CB-CD1 3.95Å; L655-L833 HydrophobicContact CB-CD2 3.99Å; L655-L833 HydrophobicContact CB-CG 3.92Å; L655-L833 HydrophobicContact CD2-CD2 4.17Å
656	L	84.7	Confident	81	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	131.2	174.4	177.1	67.6	0	0	0	110.6	A643 W644 I646 A661 V805 L809 F829 L830	A643-L656 WeakPolarHBondContact CA-O 3.41Å; W644-L656 HydrophobicContact CB-CB 4.28Å; W644-L656 PolarHBondContact N-O 3.23Å; W644-L656 PolarHBondContact O-N 3.13Å; I646-L656 HydrophobicContact CD1-CB 4.33Å; I646-L656 HydrophobicContact CD1-CD2 4.16Å; I646-L656 HydrophobicContact CG1-CB 3.65Å; I646-L656 HydrophobicContact CG1-CD2 4.19Å; L656-A661 HydrophobicContact CD1-CB 4.41Å; L656-V805 HydrophobicContact CD2-CG1 3.63Å; L656-L809 HydrophobicContact CD1-CD2 4.02Å; L656-L809 HydrophobicContact CD2-CD1 4.29Å; L656-L809 HydrophobicContact CD2-CD2 3.92Å; L656-L809 HydrophobicContact CD2-CG 4.05Å; L656-F829 WeakPolarHBondContact CA-O 3.5Å; L656-F829 HydrophobicContact CD1-CD2 4.35Å; L656-L830 HydrophobicContact CB-CD1 3.96Å; L656-L830 HydrophobicContact CD1-CD1 4.17Å
657	N	85.4	Confident	81.5	Confident	7 Å²	7	31.3 Å²	31.3	4%	0.037	17%	0.168	C	C	.	.			trans	-102.4	110.3	158.4	-177.8	-92	0	0	0	109.3	W434 F659 R660 A661 F829	W434-N657 VanDerWaalsContact CD1-ND2 3.26Å; N657-F659 PolarHBondContact O-N 3.34Å; N657-R660 HydrophobicContact CB-CB 4.4Å; N657-R660 HydrophobicContact CB-CG 4.48Å; N657-R660 PolarHBondContact O-N 2.97Å; N657-R660 WeakPolarHBondContact OD1-CG 3.32Å; N657-R660 PolarHBondContact OD1-N 2.94Å; N657-A661 PolarHBondContact O-N 3.02Å; N657-F829 PolarHBondContact N-O 3.31Å
658	P	83.1	Confident	82	Confident	3 Å²	3	32.2 Å²	32.2	2%	0.019	17%	0.172	C	C	.	.	H	α-helix	trans	-67	-39	-172.8	24.7	-33.2	0	0	0	112.5	N642 R660 A661 E662 L800 L808	N642-P658 WeakPolarHBondContact O-CD 3.39Å; P658-R660 VanDerWaalsContact C-N 3.33Å; P658-R660 PolarHBondContact O-N 2.78Å; P658-A661 WeakPolarHBondContact O-CB 3.2Å; P658-A661 PolarHBondContact O-N 2.85Å; P658-E662 PolarHBondContact O-N 3.01Å; P658-L800 HydrophobicContact CB-CD1 3.59Å; P658-L800 HydrophobicContact CG-CD1 3.89Å; P658-L808 HydrophobicContact CB-CD2 3.53Å
659	F	83.3	Confident	82.7	Confident	32 Å²	32	37.2 Å²	37.2	14%	0.14	19%	0.188	C	C	.	.	H	α-helix	trans	-58	-41.2	178.7	-62.1	-78.5	0	0	0	113.1	N642 N657 A661 E662 E663 L796	N642-F659 HydrophobicContact CB-CE2 4.33Å; N657-F659 PolarHBondContact O-N 3.34Å; F659-A661 VanDerWaalsContact C-N 3.33Å; F659-A661 PolarHBondContact O-N 3.42Å; F659-E662 PolarHBondContact O-N 3.18Å; F659-E663 WeakPolarHBondContact O-CB 3.44Å; F659-E663 WeakPolarHBondContact O-CG 3.37Å; F659-E663 PolarHBondContact O-N 3Å; F659-L796 HydrophobicContact CE1-CB 4.48Å
660	R	85.6	Confident	83.8	Confident	14 Å²	14	35.5 Å²	35.5	5%	0.053	16%	0.164	C	C	.	.	H	α-helix	trans	-66.6	-31.6	175.3	-80.4	-172.8	176	151.4	3.5	113.2	W434 S435 N657 P658 A664 C823 L828 F829	W434-R660 PolarHBondContact O-NH2 3.2Å; S435-R660 VanDerWaalsContact C-NH2 3.29Å; S435-R660 PolarHBondContact O-NE 2.75Å; S435-R660 PolarHBondContact O-NH2 3.4Å; N657-R660 HydrophobicContact CB-CB 4.4Å; N657-R660 HydrophobicContact CB-CG 4.48Å; N657-R660 PolarHBondContact O-N 2.97Å; N657-R660 WeakPolarHBondContact OD1-CG 3.32Å; N657-R660 PolarHBondContact OD1-N 2.94Å; P658-R660 VanDerWaalsContact C-N 3.33Å; P658-R660 PolarHBondContact O-N 2.78Å; R660-A664 PolarHBondContact O-N 2.86Å; R660-C823 HydrophobicContact CB-CB 3.85Å; R660-C823 HydrophobicContact CG-CB 4.11Å; R660-C823 VanDerWaalsContact O-CB 3.22Å; R660-C823 WeakPolarHBondContact O-CB 3.42Å; R660-L828 WeakPolarHBondContact CD-O 3.42Å; R660-L828 PolarHBondContact NH1-O 3.49Å; R660-F829 HydrophobicContact CB-CB 3.54Å
661	A	86	Confident	84.9	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-73.5	-39.9	176.2	0	0	0	0	0	111	L656 N657 P658 F659 A664 L665 L808 F829	L656-A661 HydrophobicContact CD1-CB 4.41Å; N657-A661 PolarHBondContact O-N 3.02Å; P658-A661 WeakPolarHBondContact O-CB 3.2Å; P658-A661 PolarHBondContact O-N 2.85Å; F659-A661 VanDerWaalsContact C-N 3.33Å; F659-A661 PolarHBondContact O-N 3.42Å; A661-A664 WeakPolarHBondContact O-CB 3.42Å; A661-A664 PolarHBondContact O-N 2.89Å; A661-L665 PolarHBondContact O-N 2.91Å; A661-L808 HydrophobicContact CB-CD1 3.97Å; A661-L808 HydrophobicContact CB-CD2 4.29Å; A661-L808 HydrophobicContact CB-CG 4.27Å; A661-F829 HydrophobicContact CB-CB 4.14Å; A661-F829 HydrophobicContact CB-CD1 4.38Å; A661-F829 HydrophobicContact CB-CD2 4.02Å; A661-F829 HydrophobicContact CB-CG 3.94Å
662	E	86.4	Confident	85.7	Confident	20 Å²	20	31.4 Å²	31.4	9%	0.093	14%	0.138	C	C	.	.	H	α-helix	trans	-68.6	-38.5	172.4	-70.9	-74.7	-167	0	0	112.4	P658 F659 A664 L665 L666 L796 L808 R811	P658-E662 PolarHBondContact O-N 3.01Å; F659-E662 PolarHBondContact O-N 3.18Å; E662-A664 PolarHBondContact O-N 3.44Å; E662-L665 PolarHBondContact O-N 3.36Å; E662-L666 HydrophobicContact CB-CD1 4.45Å; E662-L666 WeakPolarHBondContact O-CB 3.5Å; E662-L666 VanDerWaalsContact O-CG 3.24Å; E662-L666 WeakPolarHBondContact O-CG 3.38Å; E662-L666 PolarHBondContact O-N 2.75Å; E662-L796 HydrophobicContact CB-CD1 3.64Å; E662-L796 HydrophobicContact CG-CD1 3.58Å; E662-L808 HydrophobicContact CG-CD1 3.72Å; E662-L808 HydrophobicContact CG-CD2 4.12Å; E662-R811 IonicContact OE1-CZ 2.68Å; E662-R811 VanDerWaalsContact OE1-CZ 3.27Å; E662-R811 IonicContact OE1-NH1 2.99Å; E662-R811 PolarHBondContact OE1-NH1 3.01Å; E662-R811 IonicContact OE1-NH2 2.76Å; E662-R811 PolarHBondContact OE1-NH2 2.69Å; E662-R811 IonicContact OE2-NH1 2.81Å; E662-R811 PolarHBondContact OE2-NH1 3.32Å
663	E	88.6	Confident	86.3	Confident	12 Å²	12	30.1 Å²	30.1	6%	0.056	14%	0.141	C	C	.	.	H	α-helix	trans	-50.9	-43.6	169.5	-83.2	179.2	-172.8	0	0	111.2	F659 F667 V790 A793 C823 H825	F659-E663 WeakPolarHBondContact O-CB 3.44Å; F659-E663 WeakPolarHBondContact O-CG 3.37Å; F659-E663 PolarHBondContact O-N 3Å; E663-F667 VanDerWaalsContact O-CB 3.26Å; E663-F667 WeakPolarHBondContact O-CB 3.42Å; E663-F667 PolarHBondContact O-N 2.85Å; E663-F667 VanDerWaalsContact O-N 3.12Å; E663-V790 HydrophobicContact CG-CG2 4.22Å; E663-A793 HydrophobicContact CG-CB 3.87Å; E663-C823 HydrophobicContact CB-CB 4.49Å; E663-H825 IonicContact OE1-CE1 2.6Å; E663-H825 IonicContact OE2-CE1 2.68Å; E663-H825 PolarHBondContact OE2-CE1 3.03Å; E663-H825 VanDerWaalsContact OE2-CE1 3.27Å; E663-H825 IonicContact OE2-ND1 2.7Å; E663-H825 PolarHBondContact OE2-ND1 3.2Å
664	A	87.9	Confident	86.9	Confident	5 Å²	5	31.6 Å²	31.6	4%	0.041	15%	0.147	C	C	.	.	H	α-helix	trans	-70.7	-48.7	179.4	0	0	0	0	0	112.4	R660 A661 E662 F667 Q668 L816 F829	R660-A664 PolarHBondContact O-N 2.86Å; A661-A664 WeakPolarHBondContact O-CB 3.42Å; A661-A664 PolarHBondContact O-N 2.89Å; E662-A664 PolarHBondContact O-N 3.44Å; A664-F667 PolarHBondContact O-N 3.22Å; A664-Q668 WeakPolarHBondContact O-CB 3.31Å; A664-Q668 PolarHBondContact O-N 3.34Å; A664-L816 HydrophobicContact CB-CD1 3.55Å; A664-L816 HydrophobicContact CB-CD2 4.45Å; A664-F829 HydrophobicContact CB-CD1 4.49Å; A664-F829 HydrophobicContact CB-CE1 4.3Å
665	L	87.8	Confident	87.4	Confident	6 Å²	6	36.3 Å²	36.3	3%	0.031	17%	0.172	C	C	.	.	H	α-helix	trans	-64.1	-41	-179.5	-79	171.4	0	0	0	113	A661 E662 R669 L808 R811 R815 L816	A661-L665 PolarHBondContact O-N 2.91Å; E662-L665 PolarHBondContact O-N 3.36Å; L665-R669 PolarHBondContact O-N 2.67Å; L665-R669 VanDerWaalsContact O-N 3.11Å; L665-L808 HydrophobicContact CD1-CD1 3.6Å; L665-R811 HydrophobicContact CD1-CB 3.91Å; L665-R815 HydrophobicContact CD2-CB 3.87Å; L665-R815 HydrophobicContact CD2-CG 4.44Å; L665-R815 PolarHBondContact O-NH1 2.94Å; L665-L816 HydrophobicContact CD2-CD1 4.15Å; L665-L816 HydrophobicContact CD2-CG 4.33Å; L665-L816 HydrophobicContact CG-CD1 4.14Å
666	L	88.5	Confident	87.7	Confident	28 Å²	28	35.7 Å²	35.7	15%	0.147	17%	0.168	C	C	.	.	H	α-helix	trans	-67.4	-45.9	176.3	-70.9	167.7	0	0	0	110.7	E662 Q668 R669 L670 A789 L792 A793	E662-L666 HydrophobicContact CB-CD1 4.45Å; E662-L666 WeakPolarHBondContact O-CB 3.5Å; E662-L666 VanDerWaalsContact O-CG 3.24Å; E662-L666 WeakPolarHBondContact O-CG 3.38Å; E662-L666 PolarHBondContact O-N 2.75Å; L666-Q668 PolarHBondContact O-N 2.8Å; L666-R669 PolarHBondContact O-N 2.91Å; L666-L670 WeakPolarHBondContact O-CB 3.29Å; L666-L670 VanDerWaalsContact O-CG 3.31Å; L666-L670 WeakPolarHBondContact O-CG 3.37Å; L666-L670 PolarHBondContact O-N 3.4Å; L666-A789 HydrophobicContact CB-CB 4.18Å; L666-L792 HydrophobicContact CD1-CB 3.98Å; L666-A793 HydrophobicContact CD1-CB 3.99Å
667	F	90.9	Very high	87.9	Confident	26 Å²	26	38.4 Å²	38.4	11%	0.114	19%	0.186	C	C	.	.	H	α-helix	trans	-60.4	-44.5	176.6	174.6	-114	0	0	0	112.3	E663 A664 R669 L670 Q671 T782 L785 K786 A789 I824	E663-F667 VanDerWaalsContact O-CB 3.26Å; E663-F667 WeakPolarHBondContact O-CB 3.42Å; E663-F667 PolarHBondContact O-N 2.85Å; E663-F667 VanDerWaalsContact O-N 3.12Å; A664-F667 PolarHBondContact O-N 3.22Å; F667-R669 VanDerWaalsContact C-N 3.34Å; F667-R669 PolarHBondContact O-N 3.14Å; F667-L670 PolarHBondContact O-N 3.17Å; F667-Q671 HydrophobicContact CZ-CB 4.47Å; F667-Q671 WeakPolarHBondContact O-CB 3.4Å; F667-Q671 PolarHBondContact O-N 3.01Å; F667-T782 HydrophobicContact CZ-CG2 4.19Å; F667-L785 HydrophobicContact CD2-CB 4.25Å; F667-L785 HydrophobicContact CE2-CB 4.06Å; F667-K786 HydrophobicContact CD2-CB 4.34Å; F667-K786 HydrophobicContact CD2-CG 3.65Å; F667-K786 HydrophobicContact CE1-CG 4.38Å; F667-K786 HydrophobicContact CE2-CB 4.35Å; F667-K786 HydrophobicContact CE2-CD 4.43Å; F667-K786 HydrophobicContact CE2-CG 3.38Å; F667-K786 HydrophobicContact CG-CG 4.28Å; F667-K786 HydrophobicContact CZ-CD 4.43Å; F667-K786 HydrophobicContact CZ-CG 3.79Å; F667-A789 HydrophobicContact CB-CB 3.68Å; F667-I824 HydrophobicContact CB-CG2 3.42Å; F667-I824 VanDerWaalsContact CB-CG2 3.42Å; F667-I824 HydrophobicContact CD1-CG2 3.67Å; F667-I824 HydrophobicContact CG-CG2 3.6Å
668	Q	88.5	Confident	88.1	Confident	43 Å²	43	40.3 Å²	40.3	20%	0.201	20%	0.203	C	C	.	.	H	α-helix	trans	-60.3	-43.6	177.4	-169.3	-172.7	23.5	0	0	111.8	A664 L666 Q671 Q672 R815 L816	A664-Q668 WeakPolarHBondContact O-CB 3.31Å; A664-Q668 PolarHBondContact O-N 3.34Å; L666-Q668 PolarHBondContact O-N 2.8Å; Q668-Q671 PolarHBondContact O-N 2.69Å; Q668-Q672 VanDerWaalsContact O-CG 3.25Å; Q668-Q672 WeakPolarHBondContact O-CG 3.31Å; Q668-Q672 PolarHBondContact O-N 3.21Å; Q668-Q672 VanDerWaalsContact O-N 3.16Å; Q668-Q672 PolarHBondContact O-OE1 3.36Å; Q668-R815 PolarHBondContact NE2-O 3.09Å; Q668-R815 PolarHBondContact OE1-O 3.04Å; Q668-L816 HydrophobicContact CB-CD2 4.3Å; Q668-L816 HydrophobicContact CG-CD2 4.48Å
669	R	89.4	Confident	88.4	Confident	129 Å²	129	43.1 Å²	43.1	49%	0.487	22%	0.22	S	C	.	.	H	α-helix	trans	-63	-46	175.1	-171.2	-175.7	-74.7	162.5	-4.6	111.4	L665 L666 F667 Q671 Q672 D673 R815	L665-R669 PolarHBondContact O-N 2.67Å; L665-R669 VanDerWaalsContact O-N 3.11Å; L666-R669 PolarHBondContact O-N 2.91Å; F667-R669 VanDerWaalsContact C-N 3.34Å; F667-R669 PolarHBondContact O-N 3.14Å; R669-Q671 VanDerWaalsContact C-N 3.34Å; R669-Q671 PolarHBondContact O-N 2.97Å; R669-Q672 PolarHBondContact O-N 3.32Å; R669-D673 VanDerWaalsContact CG-OD2 3.25Å; R669-D673 WeakPolarHBondContact CG-OD2 3.33Å; R669-D673 PolarHBondContact O-N 3.02Å; R669-R815 VanDerWaalsContact CA-NH2 3.32Å
670	L	90.3	Very high	88.8	Confident	21 Å²	21	52 Å²	52	11%	0.11	25%	0.253	C	S	.	.	H	α-helix	trans	-62.4	-40	178.4	-73.5	175.5	0	0	0	112.2	L666 F667 Q672 H674 L785 E788 A789 L792	L666-L670 WeakPolarHBondContact O-CB 3.29Å; L666-L670 VanDerWaalsContact O-CG 3.31Å; L666-L670 WeakPolarHBondContact O-CG 3.37Å; L666-L670 PolarHBondContact O-N 3.4Å; F667-L670 PolarHBondContact O-N 3.17Å; L670-Q672 VanDerWaalsContact C-N 3.32Å; L670-Q672 PolarHBondContact O-N 2.91Å; L670-H674 HydrophobicContact CB-CB 4.38Å; L670-H674 HydrophobicContact CD2-CB 3.86Å; L670-H674 WeakPolarHBondContact O-CB 3.41Å; L670-H674 PolarHBondContact O-N 2.85Å; L670-L785 HydrophobicContact CB-CB 4.27Å; L670-L785 HydrophobicContact CB-CD2 4.13Å; L670-E788 HydrophobicContact CD1-CB 4.11Å; L670-E788 HydrophobicContact CD1-CG 4.05Å; L670-A789 HydrophobicContact CD1-CB 4.09Å; L670-L792 HydrophobicContact CD1-CD1 4.23Å
671	Q	89.1	Confident	88.9	Confident	51 Å²	51	53.7 Å²	53.7	24%	0.238	26%	0.262	C	S	.	.	H	α-helix	trans	-64.3	-37.7	177.7	-166	177.4	-1	0	0	112.2	F667 Q668 R669 P774 R777	F667-Q671 HydrophobicContact CZ-CB 4.47Å; F667-Q671 WeakPolarHBondContact O-CB 3.4Å; F667-Q671 PolarHBondContact O-N 3.01Å; Q668-Q671 PolarHBondContact O-N 2.69Å; R669-Q671 VanDerWaalsContact C-N 3.34Å; R669-Q671 PolarHBondContact O-N 2.97Å; Q671-P774 HydrophobicContact CG-CB 4.06Å; Q671-P774 PolarHBondContact NE2-O 3.08Å; Q671-R777 HydrophobicContact CG-CG 4.19Å; Q671-R777 PolarHBondContact O-NE 3.18Å
672	Q	87.8	Confident	88.7	Confident	80 Å²	80	63 Å²	63	37%	0.374	31%	0.305	S	S	.	.	H	α-helix	trans	-70.7	-60.8	175.7	-69.8	170.8	-40.9	0	0	112	Q668 R669 L670 P774	Q668-Q672 VanDerWaalsContact O-CG 3.25Å; Q668-Q672 WeakPolarHBondContact O-CG 3.31Å; Q668-Q672 PolarHBondContact O-N 3.21Å; Q668-Q672 VanDerWaalsContact O-N 3.16Å; Q668-Q672 PolarHBondContact O-OE1 3.36Å; R669-Q672 PolarHBondContact O-N 3.32Å; L670-Q672 VanDerWaalsContact C-N 3.32Å; L670-Q672 PolarHBondContact O-N 2.91Å; Q672-P774 HydrophobicContact CG-CG 4.07Å
673	D	86.5	Confident	88.5	Confident	110 Å²	110	68.2 Å²	68.2	59%	0.588	33%	0.334	S	S	*	.	H	α-helix	trans	-109	-13.5	-155.8	-47	-43.7	0	0	0	114.5	R669 I675	R669-D673 VanDerWaalsContact CG-OD2 3.25Å; R669-D673 WeakPolarHBondContact CG-OD2 3.33Å; R669-D673 PolarHBondContact O-N 3.02Å; D673-I675 PolarHBondContact O-N 3.1Å
674	H	90.4	Very high	88.5	Confident	50 Å²	50	70.7 Å²	70.7	23%	0.231	35%	0.351	C	S	.	.			trans	-80.5	104.1	-169.1	-170.5	82.5	0	0	0	113	L670 L676 R777 L785	L670-H674 HydrophobicContact CB-CB 4.38Å; L670-H674 HydrophobicContact CD2-CB 3.86Å; L670-H674 WeakPolarHBondContact O-CB 3.41Å; L670-H674 PolarHBondContact O-N 2.85Å; H674-L676 PolarHBondContact O-N 3.39Å; H674-R777 PolarHBondContact O-NH2 2.99Å; H674-L785 HydrophobicContact CB-CD2 4.06Å
675	I	91.9	Very high	88.4	Confident	110 Å²	110	73.6 Å²	73.6	56%	0.564	37%	0.366	S	S	*	.			trans	-75.8	120.8	169.9	-62.9	173.7	0	0	0	109.2	D673 V722 A723	D673-I675 PolarHBondContact O-N 3.1Å; I675-V722 HydrophobicContact CG2-CG1 4.49Å; I675-A723 HydrophobicContact CG1-CB 4.07Å
676	L	90.6	Very high	88.4	Confident	2 Å²	2	77.2 Å²	77.2	1%	0.01	39%	0.385	C	S	.	.			trans	-72.3	130.9	174.2	-65.7	176.4	0	0	0	110.8	H674 A678 A723 A747 V750 V781 Y784	H674-L676 PolarHBondContact O-N 3.39Å; L676-A678 PolarHBondContact O-N 3.17Å; L676-A678 VanDerWaalsContact O-N 3.1Å; L676-A723 PolarHBondContact N-O 2.74Å; L676-A747 HydrophobicContact CB-CB 3.82Å; L676-A747 HydrophobicContact CD1-CB 4.47Å; L676-V750 HydrophobicContact CD1-CG2 3.77Å; L676-V750 HydrophobicContact CD2-CG2 4.24Å; L676-V781 HydrophobicContact CD1-CB 4.35Å; L676-V781 HydrophobicContact CD1-CG1 3.79Å; L676-V781 HydrophobicContact CD1-CG2 3.65Å; L676-Y784 HydrophobicContact CD2-CD1 3.91Å; L676-Y784 HydrophobicContact CD2-CE1 3.42Å; L676-Y784 VanDerWaalsContact CD2-CE1 3.42Å
677	P	88.9	Confident	88.5	Confident	58 Å²	58	76 Å²	76	38%	0.377	38%	0.378	S	S	.	.			trans	-70.2	107.7	-179.6	28	-34.5	0	0	0	111.2	A747	P677-A747 WeakPolarHBondContact O-CA 3.38Å; P677-A747 WeakPolarHBondContact O-CB 3.45Å
678	A	88.6	Confident	88.2	Confident	46 Å²	46	76.4 Å²	76.4	38%	0.38	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	127.9	176.2	0	0	0	0	0	111.4	L676 G725 A745	L676-A678 PolarHBondContact O-N 3.17Å; L676-A678 VanDerWaalsContact O-N 3.1Å; A678-G725 VanDerWaalsContact CB-O 3.27Å; A678-G725 WeakPolarHBondContact CB-O 3.3Å; A678-A745 HydrophobicContact CB-CB 3.86Å
679	V	90	Very high	88	Confident	63 Å²	63	78.2 Å²	78.2	38%	0.382	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	133.5	177.9	178.2	0	0	0	0	109.9	L681 A745 V746 D748	V679-L681 PolarHBondContact O-N 3.02Å; V679-A745 CarbonylContact O-C 3.58Å; V679-A745 WeakPolarHBondContact O-CA 2.97Å; V679-A745 VanDerWaalsContact O-CB 3.3Å; V679-A745 WeakPolarHBondContact O-CB 3.15Å; V679-V746 PolarHBondContact N-O 3.16Å; V679-V746 PolarHBondContact O-N 3.43Å; V679-D748 HydrophobicContact CB-CB 4.31Å; V679-D748 HydrophobicContact CG2-CB 3.88Å
680	R	91.3	Very high	87.7	Confident	219 Å²	219	82.5 Å²	82.5	83%	0.826	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.8	128.4	-176.9	-173.3	177.3	-178.9	168.8	2.4	110.9	T744	R680-T744 WeakPolarHBondContact CA-O 2.94Å
681	L	86.9	Confident	87.3	Confident	48 Å²	48	85.4 Å²	85.4	25%	0.251	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	145.2	176.3	-60.1	-175.7	0	0	0	110.8	V679 N683 L685 T744 V746	V679-L681 PolarHBondContact O-N 3.02Å; L681-N683 VanDerWaalsContact C-N 3.34Å; L681-N683 WeakPolarHBondContact CB-O 3.36Å; L681-L685 HydrophobicContact CD1-CD1 3.85Å; L681-L685 HydrophobicContact CD1-CG 3.76Å; L681-T744 PolarHBondContact N-O 2.93Å; L681-V746 HydrophobicContact CD1-CG2 4Å; L681-V746 HydrophobicContact CD2-CB 4.24Å; L681-V746 HydrophobicContact CD2-CG2 4.33Å; L681-V746 HydrophobicContact CG-CG2 4.37Å
682	Q	82	Confident	87	Confident	195 Å²	195	83 Å²	83	91%	0.911	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67	-38.1	173.7	-67.6	-179.2	-7.5	0	0	111.6
683	N	82.9	Confident	86.9	Confident	131 Å²	131	80.2 Å²	80.2	70%	0.701	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.6	120	170.1	-59.1	-41.4	0	0	0	107.3	L681	L681-N683 VanDerWaalsContact C-N 3.34Å; L681-N683 WeakPolarHBondContact CB-O 3.36Å
684	P	88.4	Confident	86.8	Confident	63 Å²	63	78.1 Å²	78.1	41%	0.409	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	146.9	171.8	-23	33.9	0	0	0	111.7	E742 A743	P684-E742 HydrophobicContact CB-CB 4.04Å; P684-E742 HydrophobicContact CB-CG 4.31Å; P684-E742 VanDerWaalsContact CB-OE2 3.29Å; P684-E742 WeakPolarHBondContact CB-OE2 3.23Å; P684-A743 WeakPolarHBondContact CA-O 3.28Å
685	L	86.3	Confident	86.6	Confident	67 Å²	67	78.2 Å²	78.2	35%	0.351	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	113	176.2	-63.7	170.3	0	0	0	109.5	L681 L687 E742 A743 L755	L681-L685 HydrophobicContact CD1-CD1 3.85Å; L681-L685 HydrophobicContact CD1-CG 3.76Å; L685-L687 PolarHBondContact O-N 3.08Å; L685-E742 WeakPolarHBondContact O-CA 3.08Å; L685-A743 HydrophobicContact CB-CB 4.27Å; L685-A743 PolarHBondContact N-O 3.27Å; L685-A743 PolarHBondContact O-N 3.21Å; L685-L755 HydrophobicContact CB-CD2 4.47Å; L685-L755 HydrophobicContact CD1-CD2 4.34Å; L685-L755 HydrophobicContact CD1-CG 4.48Å
686	L	88.1	Confident	86.4	Confident	82 Å²	82	74 Å²	74	43%	0.429	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	123.2	175.2	-173.9	66.1	0	0	0	110.6	T688 N691 H740 E742	L686-T688 HydrophobicContact CD2-CG2 4.34Å; L686-T688 HydrophobicContact CG-CG2 4.17Å; L686-N691 PolarHBondContact O-ND2 2.89Å; L686-N691 VanDerWaalsContact O-ND2 3.11Å; L686-H740 WeakPolarHBondContact CD1-CE1 3.37Å; L686-E742 HydrophobicContact CD1-CG 4.3Å
687	L	89.3	Confident	86.3	Confident	2 Å²	2	75 Å²	75	1%	0.01	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	129.5	179.1	-52.4	-178.7	0	0	0	108.9	L685 L692 L700 I728 L741 A743 L755 L758	L685-L687 PolarHBondContact O-N 3.08Å; L687-L692 HydrophobicContact CB-CD1 4.11Å; L687-L692 HydrophobicContact CD1-CD1 4.46Å; L687-L692 HydrophobicContact CD2-CD1 4.44Å; L687-L700 HydrophobicContact CD1-CD2 3.74Å; L687-I728 HydrophobicContact CD1-CD1 3.85Å; L687-I728 HydrophobicContact CD1-CG1 4.14Å; L687-I728 HydrophobicContact CD1-CG2 3.76Å; L687-L741 HydrophobicContact CB-CB 3.99Å; L687-L741 PolarHBondContact N-O 2.76Å; L687-A743 HydrophobicContact CD1-CB 4.42Å; L687-A743 HydrophobicContact CD2-CB 4.37Å; L687-L755 HydrophobicContact CD2-CD2 3.46Å; L687-L755 VanDerWaalsContact CD2-CD2 3.46Å; L687-L758 HydrophobicContact CD1-CD2 4.1Å; L687-L758 HydrophobicContact CD2-CD2 4.09Å
688	T	86.1	Confident	86.3	Confident	35 Å²	35	76.8 Å²	76.8	22%	0.215	40%	0.4	C	S	.	.			trans	-139.4	162.5	-179.6	61.7	0	0	0	0	110.4	L686 R690 N691 L692 F697	L686-T688 HydrophobicContact CD2-CG2 4.34Å; L686-T688 HydrophobicContact CG-CG2 4.17Å; T688-R690 PolarHBondContact O-N 3.15Å; T688-N691 PolarHBondContact O-N 3.43Å; T688-N691 VanDerWaalsContact O-N 3.1Å; T688-N691 WeakPolarHBondContact OG1-CB 3.43Å; T688-N691 PolarHBondContact OG1-N 2.8Å; T688-N691 VanDerWaalsContact OG1-N 3.16Å; T688-N691 PolarHBondContact OG1-ND2 2.79Å; T688-N691 PolarHBondContact OG1-OD1 3.26Å; T688-L692 PolarHBondContact O-N 3.46Å; T688-F697 VanDerWaalsContact C-CD2 3.41Å
689	D	83.6	Confident	86.3	Confident	80 Å²	80	75.2 Å²	75.2	43%	0.428	39%	0.386	S	S	.	.	H	α-helix	trans	-48.6	-41.2	168	67.8	-43.8	0	0	0	112.4	G693	D689-G693 CarbonylContact O-C 3.59Å; D689-G693 VanDerWaalsContact O-C 3.27Å; D689-G693 WeakPolarHBondContact O-CA 3.43Å; D689-G693 PolarHBondContact O-N 3.44Å
690	R	82.5	Confident	86.2	Confident	220 Å²	220	72.2 Å²	72.2	83%	0.83	37%	0.368	S	S	*	.	H	α-helix	trans	-72.4	-31.1	179.3	-62	179	-167.2	-167.1	2.8	113.3	T688	T688-R690 PolarHBondContact O-N 3.15Å
691	N	83.3	Confident	86.1	Confident	82 Å²	82	62.5 Å²	62.5	44%	0.439	33%	0.333	S	S	.	.	H	α-helix	trans	-86.1	-35.1	-177	-69.6	-3.8	0	0	0	112.4	L686 T688	L686-N691 PolarHBondContact O-ND2 2.89Å; L686-N691 VanDerWaalsContact O-ND2 3.11Å; T688-N691 PolarHBondContact O-N 3.43Å; T688-N691 VanDerWaalsContact O-N 3.1Å; T688-N691 WeakPolarHBondContact OG1-CB 3.43Å; T688-N691 PolarHBondContact OG1-N 2.8Å; T688-N691 VanDerWaalsContact OG1-N 3.16Å; T688-N691 PolarHBondContact OG1-ND2 2.79Å; T688-N691 PolarHBondContact OG1-OD1 3.26Å
692	L	82.6	Confident	86.1	Confident	1 Å²	1	64.6 Å²	64.6	1%	0.005	35%	0.352	C	S	.	.	H	α-helix	trans	-100.8	-31	-179.7	-67.2	176.6	0	0	0	113.3	L687 T688 E696 F697 L700 L758 K759 L762	L687-L692 HydrophobicContact CB-CD1 4.11Å; L687-L692 HydrophobicContact CD1-CD1 4.46Å; L687-L692 HydrophobicContact CD2-CD1 4.44Å; T688-L692 PolarHBondContact O-N 3.46Å; L692-E696 HydrophobicContact CB-CB 4.41Å; L692-F697 HydrophobicContact CD1-CD2 4.48Å; L692-L700 HydrophobicContact CD1-CD2 3.86Å; L692-L758 HydrophobicContact CD2-CD2 4.24Å; L692-L758 HydrophobicContact CD2-CG 4.38Å; L692-K759 WeakPolarHBondContact O-CD 3.48Å; L692-K759 WeakPolarHBondContact O-CE 3.45Å; L692-K759 PolarHBondContact O-NZ 3.24Å; L692-L762 HydrophobicContact CD1-CD1 4.08Å
693	G	84.7	Confident	86.5	Confident	20 Å²	20	55.9 Å²	55.9	21%	0.206	31%	0.312	C	S	.	.			trans	102.3	137.6	-161.5	0	0	0	0	0	110.4	D689 A695 E696 F697	D689-G693 CarbonylContact O-C 3.59Å; D689-G693 VanDerWaalsContact O-C 3.27Å; D689-G693 WeakPolarHBondContact O-CA 3.43Å; D689-G693 PolarHBondContact O-N 3.44Å; G693-A695 VanDerWaalsContact C-N 3.32Å; G693-A695 PolarHBondContact O-N 3.09Å; G693-E696 PolarHBondContact O-N 3.09Å; G693-F697 VanDerWaalsContact O-CB 3.29Å; G693-F697 WeakPolarHBondContact O-CB 3.43Å; G693-F697 PolarHBondContact O-N 3.29Å
694	A	84.1	Confident	86.9	Confident	66 Å²	66	55.1 Å²	55.1	55%	0.545	30%	0.304	S	S	.	.	H	α-helix	trans	-61.9	-36.6	-172.8	0	0	0	0	0	113.5	F697 E698	A694-F697 PolarHBondContact O-N 2.98Å; A694-E698 PolarHBondContact O-N 2.65Å
695	A	85.9	Confident	87	Confident	53 Å²	53	56.3 Å²	56.3	44%	0.438	30%	0.303	S	S	.	.	H	α-helix	trans	-71.9	-41.8	179.1	0	0	0	0	0	111.7	G693 F697 T699 L766	G693-A695 VanDerWaalsContact C-N 3.32Å; G693-A695 PolarHBondContact O-N 3.09Å; A695-F697 VanDerWaalsContact C-N 3.33Å; A695-T699 WeakPolarHBondContact O-CB 3.28Å; A695-T699 PolarHBondContact O-N 3.35Å; A695-T699 PolarHBondContact O-OG1 2.83Å; A695-L766 HydrophobicContact CB-CD2 3.73Å
696	E	89.3	Confident	87	Confident	21 Å²	21	55 Å²	55	10%	0.098	31%	0.305	C	S	.	.	H	α-helix	trans	-66.1	-33.7	172.6	-68	86	170.8	0	0	112.4	L692 G693 T699 L700 K759 L762 T763	L692-E696 HydrophobicContact CB-CB 4.41Å; G693-E696 PolarHBondContact O-N 3.09Å; E696-T699 WeakPolarHBondContact O-CB 3.48Å; E696-T699 PolarHBondContact O-N 2.81Å; E696-L700 WeakPolarHBondContact O-CB 3.4Å; E696-L700 PolarHBondContact O-N 2.87Å; E696-K759 HydrophobicContact CG-CG 4.26Å; E696-L762 HydrophobicContact CB-CB 4.03Å; E696-L762 HydrophobicContact CB-CD1 4.31Å; E696-L762 HydrophobicContact CG-CB 4.14Å; E696-T763 PolarHBondContact OE1-OG1 3.37Å
697	F	88.6	Confident	86.7	Confident	22 Å²	22	59.7 Å²	59.7	10%	0.096	33%	0.325	C	S	.	.	H	α-helix	trans	-69.1	-45.5	177	-175.1	-92.7	0	0	0	112.5	T688 L692 G693 A694 A695 T699 L700 C701 L741	T688-F697 VanDerWaalsContact C-CD2 3.41Å; L692-F697 HydrophobicContact CD1-CD2 4.48Å; G693-F697 VanDerWaalsContact O-CB 3.29Å; G693-F697 WeakPolarHBondContact O-CB 3.43Å; G693-F697 PolarHBondContact O-N 3.29Å; A694-F697 PolarHBondContact O-N 2.98Å; A695-F697 VanDerWaalsContact C-N 3.33Å; F697-T699 VanDerWaalsContact C-N 3.33Å; F697-L700 WeakPolarHBondContact O-CB 3.42Å; F697-L700 PolarHBondContact O-N 2.88Å; F697-C701 PolarHBondContact O-N 2.91Å; F697-C701 PolarHBondContact O-SG 3.29Å; F697-L741 HydrophobicContact CD2-CD1 4.4Å; F697-L741 HydrophobicContact CE2-CD1 3.66Å; F697-L741 HydrophobicContact CZ-CD1 3.75Å
698	E	87.1	Confident	86.4	Confident	96 Å²	96	63.1 Å²	63.1	45%	0.449	35%	0.353	S	S	.	.	H	α-helix	trans	-70.1	-30.2	172	-73	-55.3	125.6	0	0	112.3	A694 C701 S702 R739	A694-E698 PolarHBondContact O-N 2.65Å; E698-C701 PolarHBondContact O-N 2.97Å; E698-S702 PolarHBondContact O-N 3.36Å; E698-S702 PolarHBondContact O-OG 2.94Å; E698-R739 IonicContact OE1-CZ 2.85Å; E698-R739 IonicContact OE1-NH1 2.7Å; E698-R739 PolarHBondContact OE1-NH1 3.15Å; E698-R739 IonicContact OE2-CZ 2.7Å; E698-R739 IonicContact OE2-NH1 2.77Å; E698-R739 PolarHBondContact OE2-NH1 2.91Å; E698-R739 IonicContact OE2-NH2 2.74Å
699	T	89.3	Confident	86.2	Confident	13 Å²	13	65.3 Å²	65.3	8%	0.08	36%	0.361	C	S	.	.	H	α-helix	trans	-58.5	-51.9	168.7	-58.8	0	0	0	0	109.8	A695 E696 F697 C701 S702 L703 L762 V765 L766	A695-T699 WeakPolarHBondContact O-CB 3.28Å; A695-T699 PolarHBondContact O-N 3.35Å; A695-T699 PolarHBondContact O-OG1 2.83Å; E696-T699 WeakPolarHBondContact O-CB 3.48Å; E696-T699 PolarHBondContact O-N 2.81Å; F697-T699 VanDerWaalsContact C-N 3.33Å; T699-C701 VanDerWaalsContact C-N 3.31Å; T699-C701 PolarHBondContact O-N 3.02Å; T699-S702 PolarHBondContact O-N 3.15Å; T699-S702 PolarHBondContact O-OG 2.88Å; T699-L703 HydrophobicContact CG2-CD2 4.42Å; T699-L703 WeakPolarHBondContact O-CG 3.25Å; T699-L703 PolarHBondContact O-N 3.07Å; T699-L762 HydrophobicContact CG2-CD2 4.3Å; T699-V765 HydrophobicContact CG2-CB 4.28Å; T699-V765 HydrophobicContact CG2-CG1 3.92Å; T699-L766 HydrophobicContact CG2-CB 4.25Å
700	L	89.2	Confident	85.8	Confident	0 Å²	0	68 Å²	68	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-55.8	-44.4	175	177.3	59.1	0	0	0	111.6	L687 L692 E696 F697 S702 L703 F716 L721 I728 L741 L762	L687-L700 HydrophobicContact CD1-CD2 3.74Å; L692-L700 HydrophobicContact CD1-CD2 3.86Å; E696-L700 WeakPolarHBondContact O-CB 3.4Å; E696-L700 PolarHBondContact O-N 2.87Å; F697-L700 WeakPolarHBondContact O-CB 3.42Å; F697-L700 PolarHBondContact O-N 2.88Å; L700-S702 PolarHBondContact O-N 3.37Å; L700-L703 HydrophobicContact CD1-CD1 4.27Å; L700-L703 PolarHBondContact O-N 3.33Å; L700-F716 HydrophobicContact CD1-CD1 4.47Å; L700-F716 HydrophobicContact CD1-CE1 4.35Å; L700-F716 HydrophobicContact CD1-CZ 4.41Å; L700-F716 WeakPolarHBondContact O-CE1 3.42Å; L700-L721 HydrophobicContact CD1-CD1 3.86Å; L700-L721 HydrophobicContact CD1-CD2 4.5Å; L700-I728 HydrophobicContact CD1-CD1 3.81Å; L700-I728 HydrophobicContact CD2-CD1 4.2Å; L700-L741 HydrophobicContact CD2-CD1 4.32Å; L700-L762 HydrophobicContact CB-CD1 4.06Å; L700-L762 HydrophobicContact CB-CD2 3.82Å; L700-L762 HydrophobicContact CD1-CD2 4.28Å
701	C	87.1	Confident	85.3	Confident	15 Å²	15	62.3 Å²	62.3	10%	0.101	37%	0.369	C	S	.	.	H	α-helix	trans	-62.7	-23	178.1	-68.6	0	0	0	0	114.1	F697 E698 T699 K705 R739	F697-C701 PolarHBondContact O-N 2.91Å; F697-C701 PolarHBondContact O-SG 3.29Å; E698-C701 PolarHBondContact O-N 2.97Å; T699-C701 VanDerWaalsContact C-N 3.31Å; T699-C701 PolarHBondContact O-N 3.02Å; C701-K705 WeakPolarHBondContact O-CE 3.27Å; C701-K705 PolarHBondContact O-NZ 2.87Å; C701-R739 VanDerWaalsContact CB-NH1 3.34Å; C701-R739 PolarHBondContact SG-NH1 2.97Å; C701-R739 VanDerWaalsContact SG-NH1 3.36Å
702	S	87.9	Confident	85	Confident	93 Å²	93	60.4 Å²	60.4	65%	0.65	37%	0.368	S	S	*	.	H	α-helix	trans	-96.1	-3.6	178.6	63.7	0	0	0	0	114.8	E698 T699 L700	E698-S702 PolarHBondContact O-N 3.36Å; E698-S702 PolarHBondContact O-OG 2.94Å; T699-S702 PolarHBondContact O-N 3.15Å; T699-S702 PolarHBondContact O-OG 2.88Å; L700-S702 PolarHBondContact O-N 3.37Å
703	L	90.8	Very high	85.1	Confident	12 Å²	12	60.4 Å²	60.4	6%	0.063	37%	0.368	C	S	.	.	S	Bend	trans	-70.7	163.4	176.2	-59	-170.8	0	0	0	113.1	T699 L700 F716 D718 L721 L762 V765	T699-L703 HydrophobicContact CG2-CD2 4.42Å; T699-L703 WeakPolarHBondContact O-CG 3.25Å; T699-L703 PolarHBondContact O-N 3.07Å; L700-L703 HydrophobicContact CD1-CD1 4.27Å; L700-L703 PolarHBondContact O-N 3.33Å; L703-F716 HydrophobicContact CB-CD1 4.07Å; L703-F716 HydrophobicContact CB-CE1 4.34Å; L703-D718 HydrophobicContact CB-CB 4.15Å; L703-L721 HydrophobicContact CD1-CD1 3.76Å; L703-L721 HydrophobicContact CD1-CD2 4.15Å; L703-L721 HydrophobicContact CD1-CG 3.87Å; L703-L762 HydrophobicContact CD1-CD2 3.81Å; L703-V765 HydrophobicContact CD2-CG1 4.09Å
704	E	90.3	Very high	85.4	Confident	115 Å²	115	60.8 Å²	60.8	54%	0.537	37%	0.367	S	S	.	.			trans	-63.1	138.9	-178.5	-155	-159.6	112	0	0	112.3	F716 S717 D718	E704-F716 WeakPolarHBondContact O-CA 3.45Å; E704-F716 WeakPolarHBondContact O-CD1 3.46Å; E704-S717 VanDerWaalsContact C-OG 3.3Å; E704-S717 VanDerWaalsContact CD-OG 3.28Å; E704-S717 WeakPolarHBondContact CG-OG 3.24Å; E704-S717 PolarHBondContact O-N 2.72Å; E704-S717 PolarHBondContact O-OG 2.91Å; E704-S717 WeakPolarHBondContact OE1-CB 3.45Å; E704-S717 PolarHBondContact OE1-OG 3.15Å; E704-D718 HydrophobicContact CB-CB 4.06Å; E704-D718 PolarHBondContact O-N 3.14Å
705	K	90.9	Very high	85.7	Confident	88 Å²	88	59.4 Å²	59.4	38%	0.383	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	139.3	-174.8	-69.1	158.4	-161.3	160.2	0	108.9	C701 V714 F716 S717	C701-K705 WeakPolarHBondContact O-CE 3.27Å; C701-K705 PolarHBondContact O-NZ 2.87Å; K705-V714 HydrophobicContact CB-CG1 3.8Å; K705-V714 HydrophobicContact CG-CG1 4.43Å; K705-F716 HydrophobicContact CD-CE1 4.2Å; K705-F716 VanDerWaalsContact CE-CE1 3.42Å; K705-F716 HydrophobicContact CG-CD1 3.79Å; K705-F716 HydrophobicContact CG-CE1 3.74Å; K705-F716 HydrophobicContact CG-CG 4.43Å; K705-F716 HydrophobicContact CG-CZ 4.33Å; K705-S717 VanDerWaalsContact C-OG 3.26Å; K705-S717 PolarHBondContact N-OG 3.16Å
706	G	85.8	Confident	86.1	Confident	38 Å²	38	57.3 Å²	57.3	39%	0.392	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	-167.4	173.4	0	0	0	0	0	112.5	V714 F715 S717	G706-V714 VanDerWaalsContact O-CG1 3.23Å; G706-V714 WeakPolarHBondContact O-CG1 3.36Å; G706-F715 PolarHBondContact N-O 2.78Å; G706-S717 PolarHBondContact N-OG 3.23Å
707	E	82.9	Confident	86.2	Confident	182 Å²	182	58 Å²	58	85%	0.85	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.5	155.9	175.1	-61.7	179.4	168.8	0	0	111.7
708	A	81.8	Confident	86.4	Confident	74 Å²	74	57.2 Å²	57.2	61%	0.612	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.8	128.5	176	0	0	0	0	0	110.5	S713 V714	A708-S713 WeakPolarHBondContact CA-O 3.27Å; A708-V714 HydrophobicContact CB-CG2 4.2Å
709	E	81.8	Confident	86.6	Confident	81 Å²	81	56 Å²	56	38%	0.379	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-70	159.1	174.4	-68.3	-86.4	-164.4	0	0	110.5	D711 G712 S713 F715	E709-D711 WeakPolarHBondContact CB-OD1 3.33Å; E709-D711 PolarHBondContact O-N 2.92Å; E709-G712 PolarHBondContact O-N 2.85Å; E709-S713 PolarHBondContact N-O 2.79Å; E709-F715 HydrophobicContact CG-CD2 4.06Å; E709-F715 HydrophobicContact CG-CE2 4.03Å; E709-F715 WeakPolarHBondContact OE1-CE2 3.48Å
710	P	75.4	Confident	86.8	Confident	137 Å²	137	57.7 Å²	57.7	89%	0.89	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-12.6	-179.6	-25.1	35.3	0	0	0	115.7	G712	P710-G712 VanDerWaalsContact C-N 3.3Å
711	D	73.6	Confident	87	Confident	99 Å²	99	57.7 Å²	57.7	53%	0.529	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	6	172.3	73	-13.7	0	0	0	113.4	E709 S713 K729	E709-D711 WeakPolarHBondContact CB-OD1 3.33Å; E709-D711 PolarHBondContact O-N 2.92Å; D711-S713 PolarHBondContact O-N 2.93Å; D711-S713 WeakPolarHBondContact OD1-CB 3.35Å; D711-S713 PolarHBondContact OD1-N 2.74Å; D711-S713 PolarHBondContact OD1-OG 2.85Å; D711-S713 PolarHBondContact OD2-OG 3.42Å; D711-K729 IonicContact OD1-NZ 3.58Å; D711-K729 IonicContact OD2-NZ 2.68Å; D711-K729 PolarHBondContact OD2-NZ 3.04Å
712	G	76.5	Confident	87.2	Confident	42 Å²	42	59.6 Å²	59.6	43%	0.433	35%	0.35	S	S	.	.	S	Bend	trans	76.7	1.6	-177.2	0	0	0	0	0	114.4	E709 P710 P732	E709-G712 PolarHBondContact O-N 2.85Å; P710-G712 VanDerWaalsContact C-N 3.3Å; G712-P732 WeakPolarHBondContact O-CD 3.35Å; G712-P732 WeakPolarHBondContact O-CG 3.47Å
713	S	84.4	Confident	87.4	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.007	32%	0.322	C	S	.	.			trans	-84	163.9	176.4	76.6	0	0	0	0	112.5	A708 E709 D711 K729 L730	A708-S713 WeakPolarHBondContact CA-O 3.27Å; E709-S713 PolarHBondContact N-O 2.79Å; D711-S713 PolarHBondContact O-N 2.93Å; D711-S713 WeakPolarHBondContact OD1-CB 3.35Å; D711-S713 PolarHBondContact OD1-N 2.74Å; D711-S713 PolarHBondContact OD1-OG 2.85Å; D711-S713 PolarHBondContact OD2-OG 3.42Å; S713-K729 VanDerWaalsContact CB-CE 3.47Å; S713-K729 VanDerWaalsContact CB-NZ 3.26Å; S713-K729 WeakPolarHBondContact OG-CE 3.17Å; S713-K729 PolarHBondContact OG-NZ 3.03Å; S713-L730 CarbonylContact C-O 3.59Å; S713-L730 VanDerWaalsContact CA-O 3.32Å; S713-L730 WeakPolarHBondContact CA-O 3.46Å; S713-L730 WeakPolarHBondContact CB-O 3.48Å
714	V	90.4	Very high	87.5	Confident	28 Å²	28	55 Å²	55	17%	0.17	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	133.3	-178.5	-165	0	0	0	0	110.2	K705 G706 A708 L730	K705-V714 HydrophobicContact CB-CG1 3.8Å; K705-V714 HydrophobicContact CG-CG1 4.43Å; G706-V714 VanDerWaalsContact O-CG1 3.23Å; G706-V714 WeakPolarHBondContact O-CG1 3.36Å; A708-V714 HydrophobicContact CB-CG2 4.2Å; V714-L730 PolarHBondContact N-O 2.8Å; V714-L730 PolarHBondContact O-N 3.12Å
715	F	91.5	Very high	87.6	Confident	37 Å²	37	49.5 Å²	49.5	16%	0.162	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	145.9	171.2	-73.8	-79.1	0	0	0	111.1	G706 E709 R727 I728 K729 T744	G706-F715 PolarHBondContact N-O 2.78Å; E709-F715 HydrophobicContact CG-CD2 4.06Å; E709-F715 HydrophobicContact CG-CE2 4.03Å; E709-F715 WeakPolarHBondContact OE1-CE2 3.48Å; F715-R727 HydrophobicContact CD1-CG 3.71Å; F715-R727 VanDerWaalsContact CD1-NE 3.34Å; F715-R727 HydrophobicContact CE1-CG 3.94Å; F715-R727 VanDerWaalsContact CE2-NH2 3.31Å; F715-I728 WeakPolarHBondContact CA-O 3.45Å; F715-I728 WeakPolarHBondContact CD1-O 3.37Å; F715-K729 HydrophobicContact CD1-CB 4.04Å; F715-K729 HydrophobicContact CE1-CB 3.79Å; F715-K729 HydrophobicContact CE1-CG 4.32Å; F715-K729 HydrophobicContact CZ-CB 4.41Å; F715-K729 HydrophobicContact CZ-CD 4.4Å; F715-K729 HydrophobicContact CZ-CG 4.47Å; F715-T744 HydrophobicContact CE1-CG2 4.44Å
716	F	93.1	Very high	87.8	Confident	9 Å²	9	45.5 Å²	45.5	4%	0.039	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	128.4	171.6	-71.5	-93	0	0	0	110.9	L700 L703 E704 K705 L721 I728 L730 L741	L700-F716 HydrophobicContact CD1-CD1 4.47Å; L700-F716 HydrophobicContact CD1-CE1 4.35Å; L700-F716 HydrophobicContact CD1-CZ 4.41Å; L700-F716 WeakPolarHBondContact O-CE1 3.42Å; L703-F716 HydrophobicContact CB-CD1 4.07Å; L703-F716 HydrophobicContact CB-CE1 4.34Å; E704-F716 WeakPolarHBondContact O-CA 3.45Å; E704-F716 WeakPolarHBondContact O-CD1 3.46Å; K705-F716 HydrophobicContact CD-CE1 4.2Å; K705-F716 VanDerWaalsContact CE-CE1 3.42Å; K705-F716 HydrophobicContact CG-CD1 3.79Å; K705-F716 HydrophobicContact CG-CE1 3.74Å; K705-F716 HydrophobicContact CG-CG 4.43Å; K705-F716 HydrophobicContact CG-CZ 4.33Å; F716-L721 HydrophobicContact CB-CD1 3.71Å; F716-L721 HydrophobicContact CD1-CD1 4.35Å; F716-L721 HydrophobicContact CG-CD1 4.11Å; F716-I728 HydrophobicContact CD2-CB 3.81Å; F716-I728 HydrophobicContact CD2-CG2 3.72Å; F716-I728 HydrophobicContact CE2-CB 4.47Å; F716-I728 HydrophobicContact CE2-CG2 3.88Å; F716-I728 PolarHBondContact N-O 3.22Å; F716-I728 VanDerWaalsContact N-O 3.09Å; F716-L730 HydrophobicContact CE2-CB 4.12Å; F716-L741 HydrophobicContact CE2-CD2 3.48Å; F716-L741 VanDerWaalsContact CE2-CD2 3.48Å; F716-L741 HydrophobicContact CZ-CD2 3.87Å
717	S	91.8	Very high	88.1	Confident	37 Å²	37	49.4 Å²	49.4	26%	0.259	28%	0.279	S	S	.	.			trans	-93.4	-18.9	178.7	52.7	0	0	0	0	113	E704 K705 G706 P719	E704-S717 VanDerWaalsContact C-OG 3.3Å; E704-S717 VanDerWaalsContact CD-OG 3.28Å; E704-S717 WeakPolarHBondContact CG-OG 3.24Å; E704-S717 PolarHBondContact O-N 2.72Å; E704-S717 PolarHBondContact O-OG 2.91Å; E704-S717 WeakPolarHBondContact OE1-CB 3.45Å; E704-S717 PolarHBondContact OE1-OG 3.15Å; K705-S717 VanDerWaalsContact C-OG 3.26Å; K705-S717 PolarHBondContact N-OG 3.16Å; G706-S717 PolarHBondContact N-OG 3.23Å; S717-P719 WeakPolarHBondContact O-CD 3.31Å
718	D	93.3	Very high	88.7	Confident	5 Å²	5	40.8 Å²	40.8	3%	0.027	24%	0.239	C	C	.	.			trans	-46.8	118.1	-170.8	-166.8	-55.9	0	0	0	112.7	L703 E704 R720 L721 V722	L703-D718 HydrophobicContact CB-CB 4.15Å; E704-D718 HydrophobicContact CB-CB 4.06Å; E704-D718 PolarHBondContact O-N 3.14Å; D718-R720 PolarHBondContact O-N 3.26Å; D718-R720 WeakPolarHBondContact OD1-CB 3.24Å; D718-R720 WeakPolarHBondContact OD1-CG 3.47Å; D718-R720 IonicContact OD1-CZ 3.74Å; D718-R720 PolarHBondContact OD1-N 3.42Å; D718-R720 IonicContact OD1-NE 3.32Å; D718-R720 PolarHBondContact OD1-NE 2.79Å; D718-R720 IonicContact OD1-NH2 3.88Å; D718-R720 IonicContact OD2-CZ 2.94Å; D718-R720 IonicContact OD2-NE 2.68Å; D718-R720 PolarHBondContact OD2-NE 2.62Å; D718-R720 IonicContact OD2-NH2 2.7Å; D718-R720 PolarHBondContact OD2-NH2 2.92Å; D718-L721 HydrophobicContact CB-CD1 4.38Å; D718-L721 HydrophobicContact CB-CG 4.41Å; D718-L721 PolarHBondContact O-N 3Å; D718-V722 PolarHBondContact O-N 3.07Å
719	P	91.2	Very high	89.1	Confident	69 Å²	69	39 Å²	39	45%	0.448	22%	0.217	S	C	.	.	H	α-helix	trans	-54.9	-27.1	-177.2	-29.9	36.2	0	0	0	114	S717 L721 A723 V773	S717-P719 WeakPolarHBondContact O-CD 3.31Å; P719-L721 VanDerWaalsContact C-N 3.31Å; P719-L721 PolarHBondContact O-N 3.07Å; P719-A723 WeakPolarHBondContact O-CB 3.34Å; P719-A723 PolarHBondContact O-N 3.06Å; P719-V773 HydrophobicContact CB-CG2 3.77Å
720	R	93.5	Very high	89.5	Confident	49 Å²	49	37 Å²	37	19%	0.185	21%	0.209	C	C	.	.	H	α-helix	trans	-72.6	-24.4	-179.7	-58.5	170	-67.8	-172.4	-2.9	112.4	D718 N724 V761 A770 S776	D718-R720 PolarHBondContact O-N 3.26Å; D718-R720 WeakPolarHBondContact OD1-CB 3.24Å; D718-R720 WeakPolarHBondContact OD1-CG 3.47Å; D718-R720 IonicContact OD1-CZ 3.74Å; D718-R720 PolarHBondContact OD1-N 3.42Å; D718-R720 IonicContact OD1-NE 3.32Å; D718-R720 PolarHBondContact OD1-NE 2.79Å; D718-R720 IonicContact OD1-NH2 3.88Å; D718-R720 IonicContact OD2-CZ 2.94Å; D718-R720 IonicContact OD2-NE 2.68Å; D718-R720 PolarHBondContact OD2-NE 2.62Å; D718-R720 IonicContact OD2-NH2 2.7Å; D718-R720 PolarHBondContact OD2-NH2 2.92Å; R720-N724 PolarHBondContact O-ND2 3.19Å; R720-V761 WeakPolarHBondContact O-CG1 3.27Å; R720-A770 VanDerWaalsContact CD-O 3.25Å; R720-A770 WeakPolarHBondContact CD-O 3.3Å; R720-A770 PolarHBondContact NH1-O 3.3Å; R720-S776 VanDerWaalsContact CB-OG 3.3Å; R720-S776 WeakPolarHBondContact CB-OG 3.2Å; R720-S776 WeakPolarHBondContact CG-OG 3.42Å
721	L	92.7	Very high	90	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-84.6	-54.1	168.5	-65.2	177.6	0	0	0	110.8	L700 L703 F716 D718 P719 N724 G725 F726 I728 L758 V761	L700-L721 HydrophobicContact CD1-CD1 3.86Å; L700-L721 HydrophobicContact CD1-CD2 4.5Å; L703-L721 HydrophobicContact CD1-CD1 3.76Å; L703-L721 HydrophobicContact CD1-CD2 4.15Å; L703-L721 HydrophobicContact CD1-CG 3.87Å; F716-L721 HydrophobicContact CB-CD1 3.71Å; F716-L721 HydrophobicContact CD1-CD1 4.35Å; F716-L721 HydrophobicContact CG-CD1 4.11Å; D718-L721 HydrophobicContact CB-CD1 4.38Å; D718-L721 HydrophobicContact CB-CG 4.41Å; D718-L721 PolarHBondContact O-N 3Å; P719-L721 VanDerWaalsContact C-N 3.31Å; P719-L721 PolarHBondContact O-N 3.07Å; L721-N724 CarbonylContact O-C 3.56Å; L721-N724 PolarHBondContact O-N 2.72Å; L721-G725 PolarHBondContact O-N 3.18Å; L721-F726 PolarHBondContact O-N 2.85Å; L721-I728 HydrophobicContact CD1-CD1 4.25Å; L721-I728 HydrophobicContact CD2-CD1 4.33Å; L721-L758 HydrophobicContact CD2-CD1 3.6Å; L721-V761 HydrophobicContact CD2-CG1 4.21Å
722	V	92.7	Very high	89.8	Confident	55 Å²	55	31 Å²	31	33%	0.333	18%	0.176	S	C	.	.	H	α-helix	trans	-66.1	-44.9	-169.9	179.8	0	0	0	0	111.6	I675 D718 N724 G725	I675-V722 HydrophobicContact CG2-CG1 4.49Å; D718-V722 PolarHBondContact O-N 3.07Å; V722-N724 PolarHBondContact O-N 3.46Å; V722-G725 PolarHBondContact O-N 2.88Å
723	A	91.7	Very high	89.4	Confident	7 Å²	7	31.9 Å²	31.9	6%	0.058	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-23.6	178.9	0	0	0	0	0	113	I675 L676 P719 G725 V773 R777	I675-A723 HydrophobicContact CG1-CB 4.07Å; L676-A723 PolarHBondContact N-O 2.74Å; P719-A723 WeakPolarHBondContact O-CB 3.34Å; P719-A723 PolarHBondContact O-N 3.06Å; A723-G725 VanDerWaalsContact C-N 3.26Å; A723-V773 HydrophobicContact CB-CG1 3.66Å; A723-V773 HydrophobicContact CB-CG2 4.1Å; A723-R777 VanDerWaalsContact C-NH1 3.33Å; A723-R777 PolarHBondContact O-NH1 3Å
724	N	93.2	Very high	88.1	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	4.3	171.4	-77.6	-41.6	0	0	0	113.4	R720 L721 V722 F726 V761 S776 R777 P778	R720-N724 PolarHBondContact O-ND2 3.19Å; L721-N724 CarbonylContact O-C 3.56Å; L721-N724 PolarHBondContact O-N 2.72Å; V722-N724 PolarHBondContact O-N 3.46Å; N724-F726 HydrophobicContact CB-CD2 4.12Å; N724-F726 HydrophobicContact CB-CE2 4.32Å; N724-V761 HydrophobicContact CB-CG2 4.23Å; N724-V761 WeakPolarHBondContact ND2-CG2 3.45Å; N724-S776 PolarHBondContact ND2-O 2.91Å; N724-R777 WeakPolarHBondContact OD1-CD 3.42Å; N724-R777 PolarHBondContact OD1-NH1 2.83Å; N724-P778 WeakPolarHBondContact OD1-CD 3.49Å
725	G	91.9	Very high	86.3	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.1	16.7	170.1	0	0	0	0	0	115.1	A678 L721 V722 A723 V746 A747	A678-G725 VanDerWaalsContact CB-O 3.27Å; A678-G725 WeakPolarHBondContact CB-O 3.3Å; L721-G725 PolarHBondContact O-N 3.18Å; V722-G725 PolarHBondContact O-N 2.88Å; A723-G725 VanDerWaalsContact C-N 3.26Å; G725-V746 CarbonylContact O-C 3.52Å; G725-V746 VanDerWaalsContact O-CA 3.23Å; G725-V746 WeakPolarHBondContact O-CA 3.43Å; G725-A747 PolarHBondContact O-N 2.81Å
726	F	94.3	Very high	84.5	Confident	5 Å²	5	46.5 Å²	46.5	2%	0.022	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	127.9	176.3	-64	-77.8	0	0	0	111.4	L721 N724 V746 L753 D757 L758 V761	L721-F726 PolarHBondContact O-N 2.85Å; N724-F726 HydrophobicContact CB-CD2 4.12Å; N724-F726 HydrophobicContact CB-CE2 4.32Å; F726-V746 HydrophobicContact CD1-CG1 4.37Å; F726-V746 HydrophobicContact CD1-CG2 4.09Å; F726-V746 HydrophobicContact CE1-CG1 4.04Å; F726-V746 HydrophobicContact CE1-CG2 4.28Å; F726-L753 HydrophobicContact CE1-CG 4.37Å; F726-L753 HydrophobicContact CE2-CD1 4.43Å; F726-L753 HydrophobicContact CE2-CD2 4.46Å; F726-L753 HydrophobicContact CE2-CG 4.48Å; F726-L753 HydrophobicContact CZ-CD1 4.05Å; F726-L753 HydrophobicContact CZ-CD2 4.15Å; F726-L753 HydrophobicContact CZ-CG 3.83Å; F726-D757 HydrophobicContact CZ-CB 4.13Å; F726-L758 HydrophobicContact CD1-CB 4.24Å; F726-L758 HydrophobicContact CD1-CD1 4.45Å; F726-L758 HydrophobicContact CD2-CD1 4.25Å; F726-L758 HydrophobicContact CE1-CB 3.83Å; F726-L758 HydrophobicContact CE2-CB 4.2Å; F726-L758 HydrophobicContact CG-CD1 4.17Å; F726-L758 HydrophobicContact CZ-CB 3.81Å; F726-V761 HydrophobicContact CE2-CG2 4.47Å
727	R	93.3	Very high	82.7	Confident	120 Å²	120	51.1 Å²	51.1	45%	0.453	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	105.8	169.4	-170.5	177.5	175.4	152.9	0.2	110.4	F715 T744 A745	F715-R727 HydrophobicContact CD1-CG 3.71Å; F715-R727 VanDerWaalsContact CD1-NE 3.34Å; F715-R727 HydrophobicContact CE1-CG 3.94Å; F715-R727 VanDerWaalsContact CE2-NH2 3.31Å; R727-T744 PolarHBondContact O-N 2.97Å; R727-T744 PolarHBondContact O-OG1 3.46Å; R727-A745 HydrophobicContact CB-CB 3.88Å; R727-A745 PolarHBondContact N-O 2.8Å; R727-A745 PolarHBondContact O-N 2.87Å
728	I	93.9	Very high	81.2	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.005	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	136.3	-176	-57.9	173	0	0	0	109.5	L687 L700 F715 F716 L721 L741 E742 A743 L758	L687-I728 HydrophobicContact CD1-CD1 3.85Å; L687-I728 HydrophobicContact CD1-CG1 4.14Å; L687-I728 HydrophobicContact CD1-CG2 3.76Å; L700-I728 HydrophobicContact CD1-CD1 3.81Å; L700-I728 HydrophobicContact CD2-CD1 4.2Å; F715-I728 WeakPolarHBondContact CA-O 3.45Å; F715-I728 WeakPolarHBondContact CD1-O 3.37Å; F716-I728 HydrophobicContact CD2-CB 3.81Å; F716-I728 HydrophobicContact CD2-CG2 3.72Å; F716-I728 HydrophobicContact CE2-CB 4.47Å; F716-I728 HydrophobicContact CE2-CG2 3.88Å; F716-I728 PolarHBondContact N-O 3.22Å; F716-I728 VanDerWaalsContact N-O 3.09Å; L721-I728 HydrophobicContact CD1-CD1 4.25Å; L721-I728 HydrophobicContact CD2-CD1 4.33Å; I728-L741 HydrophobicContact CG2-CD2 4.15Å; I728-E742 CarbonylContact C-O 3.55Å; I728-E742 WeakPolarHBondContact CA-O 3.46Å; I728-A743 HydrophobicContact CG1-CB 4.25Å; I728-L758 HydrophobicContact CD1-CD1 3.88Å; I728-L758 HydrophobicContact CD1-CD2 3.87Å
729	K	91.4	Very high	80.1	Confident	36 Å²	36	62.4 Å²	62.4	16%	0.157	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	131.8	176.1	-180	-177.2	168.1	101.8	0	109.1	D711 S713 F715 S731 L741 E742 T744	D711-K729 IonicContact OD1-NZ 3.58Å; D711-K729 IonicContact OD2-NZ 2.68Å; D711-K729 PolarHBondContact OD2-NZ 3.04Å; S713-K729 VanDerWaalsContact CB-CE 3.47Å; S713-K729 VanDerWaalsContact CB-NZ 3.26Å; S713-K729 WeakPolarHBondContact OG-CE 3.17Å; S713-K729 PolarHBondContact OG-NZ 3.03Å; F715-K729 HydrophobicContact CD1-CB 4.04Å; F715-K729 HydrophobicContact CE1-CB 3.79Å; F715-K729 HydrophobicContact CE1-CG 4.32Å; F715-K729 HydrophobicContact CZ-CB 4.41Å; F715-K729 HydrophobicContact CZ-CD 4.4Å; F715-K729 HydrophobicContact CZ-CG 4.47Å; K729-S731 VanDerWaalsContact CE-OG 3.29Å; K729-S731 WeakPolarHBondContact CE-OG 3.49Å; K729-L741 WeakPolarHBondContact O-CA 3.32Å; K729-E742 PolarHBondContact N-O 2.78Å; K729-E742 PolarHBondContact O-N 2.88Å; K729-T744 HydrophobicContact CB-CG2 3.73Å; K729-T744 HydrophobicContact CD-CG2 4.38Å
730	L	89.8	Confident	79.6	Confident	39 Å²	39	62.2 Å²	62.2	20%	0.204	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	126.6	165.4	173.4	59.6	0	0	0	108	S713 V714 F716 R739 L741	S713-L730 CarbonylContact C-O 3.59Å; S713-L730 VanDerWaalsContact CA-O 3.32Å; S713-L730 WeakPolarHBondContact CA-O 3.46Å; S713-L730 WeakPolarHBondContact CB-O 3.48Å; V714-L730 PolarHBondContact N-O 2.8Å; V714-L730 PolarHBondContact O-N 3.12Å; F716-L730 HydrophobicContact CE2-CB 4.12Å; L730-R739 HydrophobicContact CD1-CB 4.2Å; L730-L741 HydrophobicContact CB-CD2 3.78Å; L730-L741 HydrophobicContact CD1-CD2 3.83Å; L730-L741 HydrophobicContact CD1-CG 4.01Å; L730-L741 HydrophobicContact CG-CD2 4.34Å
731	S	84.8	Confident	79.4	Confident	25 Å²	25	59.9 Å²	59.9	18%	0.175	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	135.3	178.6	-51.7	0	0	0	0	110.7	K729 H740	K729-S731 VanDerWaalsContact CE-OG 3.29Å; K729-S731 WeakPolarHBondContact CE-OG 3.49Å; S731-H740 PolarHBondContact N-O 2.97Å
732	P	71	Confident	79.3	Confident	84 Å²	84	62.1 Å²	62.1	55%	0.545	34%	0.338	S	S	.	.			trans	-71.7	131.3	175.5	29.6	-34	0	0	0	110.6	G712	G712-P732 WeakPolarHBondContact O-CD 3.35Å; G712-P732 WeakPolarHBondContact O-CG 3.47Å
733	V	66.9	Low	79.2	Confident	61 Å²	61	59.5 Å²	59.5	37%	0.37	32%	0.323	S	S	.	.			trans	-99.5	126	176.8	-177.8	0	0	0	0	109	T735 E738 H740	V733-T735 VanDerWaalsContact C-N 3.33Å; V733-T735 PolarHBondContact O-N 3.26Å; V733-E738 WeakPolarHBondContact CG2-O 3.45Å; V733-H740 HydrophobicContact CG2-CB 3.59Å
734	L	56.8	Low	79.2	Confident	173 Å²	173	60.2 Å²	60.2	91%	0.906	33%	0.326	S	S	*	.	S	Bend	trans	-79.4	-9.6	-173.8	-70.7	168.5	0	0	0	114.6
735	T	54.3	Low	79.1	Confident	137 Å²	137	60.5 Å²	60.5	84%	0.84	33%	0.329	S	S	*	.	S	Bend	trans	-141.7	9.2	-166.7	51.6	0	0	0	0	115.7	V733	V733-T735 VanDerWaalsContact C-N 3.33Å; V733-T735 PolarHBondContact O-N 3.26Å
736	S	52.8	Low	79.1	Confident	63 Å²	63	61.1 Å²	61.1	44%	0.441	33%	0.333	S	S	.	.			trans	-151.3	157	173.8	-174.8	0	0	0	0	110.8	E738	S736-E738 PolarHBondContact O-N 2.74Å
737	A	55	Low	78.9	Confident	106 Å²	106	61.1 Å²	61.1	88%	0.876	33%	0.333	S	S	*	.	S	Bend	trans	-78	0.3	177.6	0	0	0	0	0	113.9
738	E	59.9	Low	78.6	Confident	153 Å²	153	59.4 Å²	59.4	72%	0.715	33%	0.333	S	S	*	.			trans	-82.5	130.4	-176.9	-64.7	178.8	148.4	0	0	112	V733 S736 H740	V733-E738 WeakPolarHBondContact CG2-O 3.45Å; S736-E738 PolarHBondContact O-N 2.74Å; E738-H740 PolarHBondContact O-N 2.83Å
739	R	70.6	Confident	78	Confident	127 Å²	127	60.1 Å²	60.1	48%	0.479	34%	0.338	S	S	.	.			trans	-80.2	111.3	-179.5	-61.5	174.9	-174.8	153.9	1	110.4	E698 C701 L730 L741	E698-R739 IonicContact OE1-CZ 2.85Å; E698-R739 IonicContact OE1-NH1 2.7Å; E698-R739 PolarHBondContact OE1-NH1 3.15Å; E698-R739 IonicContact OE2-CZ 2.7Å; E698-R739 IonicContact OE2-NH1 2.77Å; E698-R739 PolarHBondContact OE2-NH1 2.91Å; E698-R739 IonicContact OE2-NH2 2.74Å; C701-R739 VanDerWaalsContact CB-NH1 3.34Å; C701-R739 PolarHBondContact SG-NH1 2.97Å; C701-R739 VanDerWaalsContact SG-NH1 3.36Å; L730-R739 HydrophobicContact CD1-CB 4.2Å; R739-L741 PolarHBondContact O-N 2.92Å
740	H	81.5	Confident	77.7	Confident	64 Å²	64	58.7 Å²	58.7	30%	0.296	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	107.1	-179	-166.2	83.3	0	0	0	112	L686 S731 V733 E738 E742	L686-H740 WeakPolarHBondContact CD1-CE1 3.37Å; S731-H740 PolarHBondContact N-O 2.97Å; V733-H740 HydrophobicContact CG2-CB 3.59Å; E738-H740 PolarHBondContact O-N 2.83Å; H740-E742 IonicContact CD2-OE1 3.96Å; H740-E742 IonicContact CE1-OE1 2.75Å; H740-E742 IonicContact NE2-OE1 3.71Å; H740-E742 PolarHBondContact NE2-OE1 3.15Å
741	L	88.6	Confident	77.2	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.005	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	127.1	-176.8	-78.6	166.6	0	0	0	111.6	L687 F697 L700 F716 I728 K729 L730 R739	L687-L741 HydrophobicContact CB-CB 3.99Å; L687-L741 PolarHBondContact N-O 2.76Å; F697-L741 HydrophobicContact CD2-CD1 4.4Å; F697-L741 HydrophobicContact CE2-CD1 3.66Å; F697-L741 HydrophobicContact CZ-CD1 3.75Å; L700-L741 HydrophobicContact CD2-CD1 4.32Å; F716-L741 HydrophobicContact CE2-CD2 3.48Å; F716-L741 VanDerWaalsContact CE2-CD2 3.48Å; F716-L741 HydrophobicContact CZ-CD2 3.87Å; I728-L741 HydrophobicContact CG2-CD2 4.15Å; K729-L741 WeakPolarHBondContact O-CA 3.32Å; L730-L741 HydrophobicContact CB-CD2 3.78Å; L730-L741 HydrophobicContact CD1-CD2 3.83Å; L730-L741 HydrophobicContact CD1-CG 4.01Å; L730-L741 HydrophobicContact CG-CD2 4.34Å; R739-L741 PolarHBondContact O-N 2.92Å
742	E	90.8	Very high	77.1	Confident	47 Å²	47	66.7 Å²	66.7	22%	0.22	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	131.3	179.7	-67.4	-174.7	173.8	0	0	112.3	P684 L685 L686 I728 K729 H740 T744	P684-E742 HydrophobicContact CB-CB 4.04Å; P684-E742 HydrophobicContact CB-CG 4.31Å; P684-E742 VanDerWaalsContact CB-OE2 3.29Å; P684-E742 WeakPolarHBondContact CB-OE2 3.23Å; L685-E742 WeakPolarHBondContact O-CA 3.08Å; L686-E742 HydrophobicContact CD1-CG 4.3Å; I728-E742 CarbonylContact C-O 3.55Å; I728-E742 WeakPolarHBondContact CA-O 3.46Å; K729-E742 PolarHBondContact N-O 2.78Å; K729-E742 PolarHBondContact O-N 2.88Å; H740-E742 IonicContact CD2-OE1 3.96Å; H740-E742 IonicContact CE1-OE1 2.75Å; H740-E742 IonicContact NE2-OE1 3.71Å; H740-E742 PolarHBondContact NE2-OE1 3.15Å; E742-T744 HydrophobicContact CB-CG2 4.4Å; E742-T744 PolarHBondContact O-N 2.81Å
743	A	91.1	Very high	77.9	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.008	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	111.8	162.3	0	0	0	0	0	109.3	P684 L685 L687 I728	P684-A743 WeakPolarHBondContact CA-O 3.28Å; L685-A743 HydrophobicContact CB-CB 4.27Å; L685-A743 PolarHBondContact N-O 3.27Å; L685-A743 PolarHBondContact O-N 3.21Å; L687-A743 HydrophobicContact CD1-CB 4.42Å; L687-A743 HydrophobicContact CD2-CB 4.37Å; I728-A743 HydrophobicContact CG1-CB 4.25Å
744	T	90.8	Very high	78.9	Confident	21 Å²	21	61.6 Å²	61.6	13%	0.129	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-24.5	-173.4	62.5	0	0	0	0	113.4	R680 L681 F715 R727 K729 E742	R680-T744 WeakPolarHBondContact CA-O 2.94Å; L681-T744 PolarHBondContact N-O 2.93Å; F715-T744 HydrophobicContact CE1-CG2 4.44Å; R727-T744 PolarHBondContact O-N 2.97Å; R727-T744 PolarHBondContact O-OG1 3.46Å; K729-T744 HydrophobicContact CB-CG2 3.73Å; K729-T744 HydrophobicContact CD-CG2 4.38Å; E742-T744 HydrophobicContact CB-CG2 4.4Å; E742-T744 PolarHBondContact O-N 2.81Å
745	A	90.7	Very high	80.4	Confident	7 Å²	7	55.7 Å²	55.7	6%	0.058	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	146.1	174	0	0	0	0	0	111	A678 V679 R727	A678-A745 HydrophobicContact CB-CB 3.86Å; V679-A745 CarbonylContact O-C 3.58Å; V679-A745 WeakPolarHBondContact O-CA 2.97Å; V679-A745 VanDerWaalsContact O-CB 3.3Å; V679-A745 WeakPolarHBondContact O-CB 3.15Å; R727-A745 HydrophobicContact CB-CB 3.88Å; R727-A745 PolarHBondContact N-O 2.8Å; R727-A745 PolarHBondContact O-N 2.87Å
746	V	91.9	Very high	82.1	Confident	13 Å²	13	53.9 Å²	53.9	8%	0.079	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	145.7	177	-178.7	0	0	0	0	108.2	V679 L681 G725 F726 D748 L753	V679-V746 PolarHBondContact N-O 3.16Å; V679-V746 PolarHBondContact O-N 3.43Å; L681-V746 HydrophobicContact CD1-CG2 4Å; L681-V746 HydrophobicContact CD2-CB 4.24Å; L681-V746 HydrophobicContact CD2-CG2 4.33Å; L681-V746 HydrophobicContact CG-CG2 4.37Å; G725-V746 CarbonylContact O-C 3.52Å; G725-V746 VanDerWaalsContact O-CA 3.23Å; G725-V746 WeakPolarHBondContact O-CA 3.43Å; F726-V746 HydrophobicContact CD1-CG1 4.37Å; F726-V746 HydrophobicContact CD1-CG2 4.09Å; F726-V746 HydrophobicContact CE1-CG1 4.04Å; F726-V746 HydrophobicContact CE1-CG2 4.28Å; V746-D748 PolarHBondContact O-N 2.78Å; V746-L753 HydrophobicContact CG1-CB 4.14Å; V746-L753 HydrophobicContact CG1-CD2 3.79Å; V746-L753 HydrophobicContact CG1-CG 3.98Å
747	A	90.6	Very high	84	Confident	5 Å²	5	51.2 Å²	51.2	4%	0.041	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	129.9	-179.3	0	0	0	0	0	113.2	L676 P677 G725 L753	L676-A747 HydrophobicContact CB-CB 3.82Å; L676-A747 HydrophobicContact CD1-CB 4.47Å; P677-A747 WeakPolarHBondContact O-CA 3.38Å; P677-A747 WeakPolarHBondContact O-CB 3.45Å; G725-A747 PolarHBondContact O-N 2.81Å; A747-L753 HydrophobicContact CB-CD2 3.99Å
748	D	87.9	Confident	85.8	Confident	83 Å²	83	46.2 Å²	46.2	44%	0.444	23%	0.23	S	C	.	.	S	Bend	trans	-79	-30.4	-179.6	65.6	-23.6	0	0	0	113.1	R484 V679 V746 V750	R484-D748 IonicContact NH2-OD1 3.78Å; R484-D748 IonicContact NH2-OD2 2.73Å; R484-D748 PolarHBondContact NH2-OD2 3.35Å; V679-D748 HydrophobicContact CB-CB 4.31Å; V679-D748 HydrophobicContact CG2-CB 3.88Å; V746-D748 PolarHBondContact O-N 2.78Å; D748-V750 VanDerWaalsContact C-N 3.26Å; D748-V750 PolarHBondContact O-N 3.46Å
749	C	81.6	Confident	87.3	Confident	17 Å²	17	42 Å²	42	12%	0.115	21%	0.209	C	C	.	.	S	Bend	trans	-66.4	-19.2	-176.7	56.6	0	0	0	0	114.7	P751 Y784	C749-P751 WeakPolarHBondContact O-CD 3.38Å; C749-Y784 HydrophobicContact CB-CE2 3.85Å; C749-Y784 WeakPolarHBondContact O-CD2 3.2Å; C749-Y784 VanDerWaalsContact O-CE2 3.27Å; C749-Y784 WeakPolarHBondContact O-CE2 3.24Å
750	V	85	Confident	88.4	Confident	5 Å²	5	38.8 Å²	38.8	3%	0.03	20%	0.199	C	C	.	.	S	Bend	trans	-103.6	108.7	175.9	-177.5	0	0	0	0	109.3	L676 D748 F752 L753 K780 V781 Y784	L676-V750 HydrophobicContact CD1-CG2 3.77Å; L676-V750 HydrophobicContact CD2-CG2 4.24Å; D748-V750 VanDerWaalsContact C-N 3.26Å; D748-V750 PolarHBondContact O-N 3.46Å; V750-F752 PolarHBondContact O-N 2.91Å; V750-L753 HydrophobicContact CB-CB 4.11Å; V750-L753 HydrophobicContact CB-CD2 4.35Å; V750-L753 HydrophobicContact CG1-CB 4.14Å; V750-L753 HydrophobicContact CG1-CD1 4.16Å; V750-L753 WeakPolarHBondContact O-CB 3.33Å; V750-L753 PolarHBondContact O-N 3.21Å; V750-K780 HydrophobicContact CG1-CB 3.98Å; V750-V781 HydrophobicContact CG1-CG2 4.49Å; V750-V781 HydrophobicContact CG2-CG2 4.35Å; V750-Y784 HydrophobicContact CG2-CD1 4.21Å; V750-Y784 HydrophobicContact CG2-CD2 3.83Å; V750-Y784 HydrophobicContact CG2-CE2 4.28Å; V750-Y784 HydrophobicContact CG2-CG 3.8Å
751	P	78.3	Confident	88.9	Confident	62 Å²	62	35.7 Å²	35.7	40%	0.403	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	128.2	-175	-26	35.5	0	0	0	112.8	C749 L753	C749-P751 WeakPolarHBondContact O-CD 3.38Å; P751-L753 VanDerWaalsContact C-N 3.29Å; P751-L753 PolarHBondContact O-N 3.5Å
752	F	83.4	Confident	89.1	Confident	170 Å²	170	35.7 Å²	35.7	75%	0.746	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.7	35.5	179.1	-43	-76.8	0	0	0	114.2	V750 K780	V750-F752 PolarHBondContact O-N 2.91Å; F752-K780 PolarHBondContact O-NZ 3.48Å
753	L	87.3	Confident	89.2	Confident	19 Å²	19	34.7 Å²	34.7	10%	0.099	18%	0.182	C	C	.	.			trans	-67.2	130.1	164.1	-169.8	73	0	0	0	109.7	F726 V746 A747 V750 P751 D757 V781	F726-L753 HydrophobicContact CE1-CG 4.37Å; F726-L753 HydrophobicContact CE2-CD1 4.43Å; F726-L753 HydrophobicContact CE2-CD2 4.46Å; F726-L753 HydrophobicContact CE2-CG 4.48Å; F726-L753 HydrophobicContact CZ-CD1 4.05Å; F726-L753 HydrophobicContact CZ-CD2 4.15Å; F726-L753 HydrophobicContact CZ-CG 3.83Å; V746-L753 HydrophobicContact CG1-CB 4.14Å; V746-L753 HydrophobicContact CG1-CD2 3.79Å; V746-L753 HydrophobicContact CG1-CG 3.98Å; A747-L753 HydrophobicContact CB-CD2 3.99Å; V750-L753 HydrophobicContact CB-CB 4.11Å; V750-L753 HydrophobicContact CB-CD2 4.35Å; V750-L753 HydrophobicContact CG1-CB 4.14Å; V750-L753 HydrophobicContact CG1-CD1 4.16Å; V750-L753 WeakPolarHBondContact O-CB 3.33Å; V750-L753 PolarHBondContact O-N 3.21Å; P751-L753 VanDerWaalsContact C-N 3.29Å; P751-L753 PolarHBondContact O-N 3.5Å; L753-D757 WeakPolarHBondContact CA-OD2 3.3Å; L753-D757 HydrophobicContact CD1-CB 3.54Å; L753-D757 HydrophobicContact CG-CB 4.44Å; L753-V781 HydrophobicContact CD1-CG2 3.97Å
754	G	88.2	Confident	89.2	Confident	19 Å²	19	34.7 Å²	34.7	20%	0.196	18%	0.183	C	C	.	.			trans	-165.4	-152.6	-174.3	0	0	0	0	0	114.4	E756 D757 L758	G754-E756 PolarHBondContact O-N 3.01Å; G754-D757 PolarHBondContact N-OD2 3.43Å; G754-D757 PolarHBondContact O-N 3.45Å; G754-D757 VanDerWaalsContact O-N 3.16Å; G754-L758 PolarHBondContact O-N 2.91Å
755	L	88.9	Confident	89.2	Confident	50 Å²	50	34.6 Å²	34.6	26%	0.262	18%	0.182	S	C	.	.	H	α-helix	trans	-63.2	-36.7	-170.6	-65.5	177.6	0	0	0	113.8	L685 L687 D757 L758 K759	L685-L755 HydrophobicContact CB-CD2 4.47Å; L685-L755 HydrophobicContact CD1-CD2 4.34Å; L685-L755 HydrophobicContact CD1-CG 4.48Å; L687-L755 HydrophobicContact CD2-CD2 3.46Å; L687-L755 VanDerWaalsContact CD2-CD2 3.46Å; L755-D757 VanDerWaalsContact C-N 3.32Å; L755-D757 PolarHBondContact O-N 2.96Å; L755-L758 PolarHBondContact O-N 3.03Å; L755-K759 WeakPolarHBondContact O-CB 3.41Å; L755-K759 PolarHBondContact O-N 3.28Å
756	E	88.8	Confident	89.1	Confident	99 Å²	99	37.7 Å²	37.7	46%	0.463	20%	0.197	S	C	.	.	H	α-helix	trans	-67.9	-32.3	176	-55.8	-51.3	147	0	0	112.6	G754 K759 E760	G754-E756 PolarHBondContact O-N 3.01Å; E756-K759 WeakPolarHBondContact O-CB 3.48Å; E756-K759 PolarHBondContact O-N 3.07Å; E756-E760 PolarHBondContact O-N 2.89Å
757	D	93.2	Very high	88.8	Confident	6 Å²	6	43.5 Å²	43.5	3%	0.032	22%	0.223	C	C	.	.	H	α-helix	trans	-74.2	-37.6	177.1	-48.4	-90.2	0	0	0	110.6	F726 L753 G754 L755 K759 E760 V761 P778 K780	F726-D757 HydrophobicContact CZ-CB 4.13Å; L753-D757 WeakPolarHBondContact CA-OD2 3.3Å; L753-D757 HydrophobicContact CD1-CB 3.54Å; L753-D757 HydrophobicContact CG-CB 4.44Å; G754-D757 PolarHBondContact N-OD2 3.43Å; G754-D757 PolarHBondContact O-N 3.45Å; G754-D757 VanDerWaalsContact O-N 3.16Å; L755-D757 VanDerWaalsContact C-N 3.32Å; L755-D757 PolarHBondContact O-N 2.96Å; D757-K759 VanDerWaalsContact C-N 3.29Å; D757-E760 PolarHBondContact O-N 3.36Å; D757-V761 WeakPolarHBondContact O-CG2 3.45Å; D757-V761 PolarHBondContact O-N 3.23Å; D757-P778 HydrophobicContact CB-CB 4.28Å; D757-P778 HydrophobicContact CB-CG 4.31Å; D757-K780 WeakPolarHBondContact OD1-CD 3.22Å; D757-K780 WeakPolarHBondContact OD1-CE 3.26Å; D757-K780 WeakPolarHBondContact OD1-CG 3.41Å; D757-K780 IonicContact OD1-NZ 3.32Å; D757-K780 PolarHBondContact OD1-NZ 3.3Å; D757-K780 IonicContact OD2-NZ 3.27Å; D757-K780 PolarHBondContact OD2-NZ 2.87Å
758	L	92.9	Very high	88.3	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-61.6	-39.3	168.7	175.5	59.2	0	0	0	111	L687 L692 L721 F726 I728 G754 L755 V761 L762	L687-L758 HydrophobicContact CD1-CD2 4.1Å; L687-L758 HydrophobicContact CD2-CD2 4.09Å; L692-L758 HydrophobicContact CD2-CD2 4.24Å; L692-L758 HydrophobicContact CD2-CG 4.38Å; L721-L758 HydrophobicContact CD2-CD1 3.6Å; F726-L758 HydrophobicContact CD1-CB 4.24Å; F726-L758 HydrophobicContact CD1-CD1 4.45Å; F726-L758 HydrophobicContact CD2-CD1 4.25Å; F726-L758 HydrophobicContact CE1-CB 3.83Å; F726-L758 HydrophobicContact CE2-CB 4.2Å; F726-L758 HydrophobicContact CG-CD1 4.17Å; F726-L758 HydrophobicContact CZ-CB 3.81Å; I728-L758 HydrophobicContact CD1-CD1 3.88Å; I728-L758 HydrophobicContact CD1-CD2 3.87Å; G754-L758 PolarHBondContact O-N 2.91Å; L755-L758 PolarHBondContact O-N 3.03Å; L758-V761 WeakPolarHBondContact O-CB 3.36Å; L758-V761 PolarHBondContact O-N 3.03Å; L758-L762 HydrophobicContact CD1-CD1 4.22Å; L758-L762 HydrophobicContact CD1-CG 4.42Å; L758-L762 HydrophobicContact CG-CD1 4.14Å; L758-L762 WeakPolarHBondContact O-CG 3.23Å; L758-L762 PolarHBondContact O-N 3.44Å
759	K	91.7	Very high	88.2	Confident	65 Å²	65	55.9 Å²	55.9	28%	0.283	27%	0.268	S	S	.	.	H	α-helix	trans	-63.4	-46.2	173	-173.9	172.4	-179.7	144.1	0	111.3	L692 E696 L755 E756 D757 V761 L762 T763	L692-K759 WeakPolarHBondContact O-CD 3.48Å; L692-K759 WeakPolarHBondContact O-CE 3.45Å; L692-K759 PolarHBondContact O-NZ 3.24Å; E696-K759 HydrophobicContact CG-CG 4.26Å; L755-K759 WeakPolarHBondContact O-CB 3.41Å; L755-K759 PolarHBondContact O-N 3.28Å; E756-K759 WeakPolarHBondContact O-CB 3.48Å; E756-K759 PolarHBondContact O-N 3.07Å; D757-K759 VanDerWaalsContact C-N 3.29Å; K759-V761 VanDerWaalsContact C-N 3.27Å; K759-V761 PolarHBondContact O-N 3.45Å; K759-L762 PolarHBondContact O-N 2.95Å; K759-T763 WeakPolarHBondContact O-CB 3.18Å; K759-T763 PolarHBondContact O-N 3.42Å; K759-T763 PolarHBondContact O-OG1 3.31Å
760	E	93	Very high	88.4	Confident	59 Å²	59	55.1 Å²	55.1	28%	0.276	26%	0.263	S	S	.	.	H	α-helix	trans	-57.6	-39.5	175.9	-171.6	-177.5	-177.3	0	0	111.8	E756 D757 A764 P778 L779	E756-E760 PolarHBondContact O-N 2.89Å; D757-E760 PolarHBondContact O-N 3.36Å; E760-A764 VanDerWaalsContact O-CB 3.27Å; E760-A764 WeakPolarHBondContact O-CB 3.46Å; E760-A764 PolarHBondContact O-N 3.12Å; E760-P778 HydrophobicContact CB-CB 4.04Å; E760-P778 VanDerWaalsContact CD-CA 3.45Å; E760-P778 HydrophobicContact CG-CB 4.11Å; E760-P778 WeakPolarHBondContact OE2-CA 3.23Å; E760-P778 WeakPolarHBondContact OE2-CB 3.44Å; E760-L779 PolarHBondContact OE1-N 2.81Å; E760-L779 PolarHBondContact OE2-N 3.11Å
761	V	92.9	Very high	88.4	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-59.3	-51	171.8	174.5	0	0	0	0	111.3	R720 L721 N724 F726 D757 L758 K759 A764 V765 S776 P778	R720-V761 WeakPolarHBondContact O-CG1 3.27Å; L721-V761 HydrophobicContact CD2-CG1 4.21Å; N724-V761 HydrophobicContact CB-CG2 4.23Å; N724-V761 WeakPolarHBondContact ND2-CG2 3.45Å; F726-V761 HydrophobicContact CE2-CG2 4.47Å; D757-V761 WeakPolarHBondContact O-CG2 3.45Å; D757-V761 PolarHBondContact O-N 3.23Å; L758-V761 WeakPolarHBondContact O-CB 3.36Å; L758-V761 PolarHBondContact O-N 3.03Å; K759-V761 VanDerWaalsContact C-N 3.27Å; K759-V761 PolarHBondContact O-N 3.45Å; V761-A764 PolarHBondContact O-N 3.04Å; V761-V765 PolarHBondContact O-N 3.34Å; V761-S776 WeakPolarHBondContact CG2-O 3.45Å; V761-P778 HydrophobicContact CG2-CG 4.1Å
762	L	92.9	Very high	88.9	Confident	0 Å²	0	59 Å²	59	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-67.2	-42	-177.7	-68.4	167.6	0	0	0	112.2	L692 E696 T699 L700 L703 L758 K759 A764 V765 L766	L692-L762 HydrophobicContact CD1-CD1 4.08Å; E696-L762 HydrophobicContact CB-CB 4.03Å; E696-L762 HydrophobicContact CB-CD1 4.31Å; E696-L762 HydrophobicContact CG-CB 4.14Å; T699-L762 HydrophobicContact CG2-CD2 4.3Å; L700-L762 HydrophobicContact CB-CD1 4.06Å; L700-L762 HydrophobicContact CB-CD2 3.82Å; L700-L762 HydrophobicContact CD1-CD2 4.28Å; L703-L762 HydrophobicContact CD1-CD2 3.81Å; L758-L762 HydrophobicContact CD1-CD1 4.22Å; L758-L762 HydrophobicContact CD1-CG 4.42Å; L758-L762 HydrophobicContact CG-CD1 4.14Å; L758-L762 WeakPolarHBondContact O-CG 3.23Å; L758-L762 PolarHBondContact O-N 3.44Å; K759-L762 PolarHBondContact O-N 2.95Å; L762-A764 VanDerWaalsContact C-N 3.31Å; L762-A764 PolarHBondContact O-N 3.42Å; L762-V765 PolarHBondContact O-N 3.13Å; L762-L766 WeakPolarHBondContact O-CB 3.35Å; L762-L766 PolarHBondContact O-N 3.39Å
763	T	91.8	Very high	89.3	Confident	26 Å²	26	51.9 Å²	51.9	16%	0.16	26%	0.264	C	S	.	.	H	α-helix	trans	-63.5	-35.1	173.7	-54.5	0	0	0	0	111.3	E696 K759 Q767	E696-T763 PolarHBondContact OE1-OG1 3.37Å; K759-T763 WeakPolarHBondContact O-CB 3.18Å; K759-T763 PolarHBondContact O-N 3.42Å; K759-T763 PolarHBondContact O-OG1 3.31Å; T763-Q767 HydrophobicContact CG2-CB 4.48Å; T763-Q767 VanDerWaalsContact CG2-CD 3.43Å; T763-Q767 HydrophobicContact CG2-CG 3.97Å; T763-Q767 WeakPolarHBondContact O-CB 3.35Å; T763-Q767 PolarHBondContact O-N 3.39Å
764	A	90.5	Very high	89.4	Confident	2 Å²	2	52.8 Å²	52.8	2%	0.017	27%	0.271	C	S	.	.	H	α-helix	trans	-67.7	-38.4	172.6	0	0	0	0	0	112.5	E760 V761 L762 R768 K769 A770	E760-A764 VanDerWaalsContact O-CB 3.27Å; E760-A764 WeakPolarHBondContact O-CB 3.46Å; E760-A764 PolarHBondContact O-N 3.12Å; V761-A764 PolarHBondContact O-N 3.04Å; L762-A764 VanDerWaalsContact C-N 3.31Å; L762-A764 PolarHBondContact O-N 3.42Å; A764-R768 CarbonylContact O-C 3.58Å; A764-R768 WeakPolarHBondContact O-CA 3.21Å; A764-R768 WeakPolarHBondContact O-CB 3.28Å; A764-R768 PolarHBondContact O-N 2.97Å; A764-K769 PolarHBondContact O-N 2.91Å; A764-A770 HydrophobicContact CB-CB 4.25Å; A764-A770 VanDerWaalsContact O-CB 3.27Å; A764-A770 WeakPolarHBondContact O-CB 3.05Å; A764-A770 PolarHBondContact O-N 3.4Å
765	V	91.1	Very high	89.5	Confident	18 Å²	18	57 Å²	57	11%	0.109	29%	0.285	C	S	.	.	H	α-helix	trans	-64.3	-49.4	172.3	173	0	0	0	0	111.2	T699 L703 V761 L762 K769	T699-V765 HydrophobicContact CG2-CB 4.28Å; T699-V765 HydrophobicContact CG2-CG1 3.92Å; L703-V765 HydrophobicContact CD2-CG1 4.09Å; V761-V765 PolarHBondContact O-N 3.34Å; L762-V765 PolarHBondContact O-N 3.13Å; V765-K769 VanDerWaalsContact O-CA 3.26Å; V765-K769 WeakPolarHBondContact O-CA 3.5Å; V765-K769 PolarHBondContact O-N 2.84Å
766	L	89.2	Confident	89.7	Confident	72 Å²	72	54.6 Å²	54.6	38%	0.377	27%	0.273	S	S	.	.	H	α-helix	trans	-69.9	-58.4	-175.5	177	61.2	0	0	0	113.1	A695 T699 L762	A695-L766 HydrophobicContact CB-CD2 3.73Å; T699-L766 HydrophobicContact CG2-CB 4.25Å; L762-L766 WeakPolarHBondContact O-CB 3.35Å; L762-L766 PolarHBondContact O-N 3.39Å
767	Q	85.2	Confident	89.9	Confident	136 Å²	136	50.5 Å²	50.5	64%	0.636	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-38.6	-169.8	-59.2	-177.4	-0.9	0	0	112.5	T763	T763-Q767 HydrophobicContact CG2-CB 4.48Å; T763-Q767 VanDerWaalsContact CG2-CD 3.43Å; T763-Q767 HydrophobicContact CG2-CG 3.97Å; T763-Q767 WeakPolarHBondContact O-CB 3.35Å; T763-Q767 PolarHBondContact O-N 3.39Å
768	R	80.8	Confident	89.9	Confident	169 Å²	169	50.2 Å²	50.2	64%	0.638	25%	0.252	S	S	*	.	S	Bend	trans	-93.7	-0.6	-178.4	-51.6	179.3	-176.1	154.2	3	113	A764 A770	A764-R768 CarbonylContact O-C 3.58Å; A764-R768 WeakPolarHBondContact O-CA 3.21Å; A764-R768 WeakPolarHBondContact O-CB 3.28Å; A764-R768 PolarHBondContact O-N 2.97Å; R768-A770 PolarHBondContact O-N 3.39Å
769	K	85.4	Confident	89.7	Confident	179 Å²	179	53.9 Å²	53.9	78%	0.778	27%	0.271	S	S	*	.			trans	50.3	41.1	-176.6	-62.1	-175	178.1	-177.7	0	112.6	A764 V765 A771	A764-K769 PolarHBondContact O-N 2.91Å; V765-K769 VanDerWaalsContact O-CA 3.26Å; V765-K769 WeakPolarHBondContact O-CA 3.5Å; V765-K769 PolarHBondContact O-N 2.84Å; K769-A771 PolarHBondContact O-N 3.4Å
770	A	86.3	Confident	89.6	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.008	27%	0.268	C	S	.	.			trans	-61.4	101	-177.2	0	0	0	0	0	111.7	R720 A764 R768 Q775	R720-A770 VanDerWaalsContact CD-O 3.25Å; R720-A770 WeakPolarHBondContact CD-O 3.3Å; R720-A770 PolarHBondContact NH1-O 3.3Å; A764-A770 HydrophobicContact CB-CB 4.25Å; A764-A770 VanDerWaalsContact O-CB 3.27Å; A764-A770 WeakPolarHBondContact O-CB 3.05Å; A764-A770 PolarHBondContact O-N 3.4Å; R768-A770 PolarHBondContact O-N 3.39Å; A770-Q775 HydrophobicContact CB-CB 3.64Å
771	A	84.1	Confident	89.5	Confident	81 Å²	81	50.4 Å²	50.4	67%	0.669	26%	0.255	S	S	*	.			trans	-85.2	-16.3	-179.4	0	0	0	0	0	113	K769 Q775	K769-A771 PolarHBondContact O-N 3.4Å; A771-Q775 VanDerWaalsContact N-OE1 3.12Å
772	T	89.7	Confident	89.3	Confident	68 Å²	68	51.4 Å²	51.4	42%	0.417	26%	0.261	S	S	.	.	S	Bend	trans	-127.7	151.8	-175.7	64.4	0	0	0	0	112	Q775 S776	T772-Q775 WeakPolarHBondContact O-CB 3.33Å; T772-Q775 PolarHBondContact O-N 3.35Å; T772-Q775 WeakPolarHBondContact OG1-CG 3.39Å; T772-Q775 PolarHBondContact OG1-OE1 3.15Å; T772-S776 PolarHBondContact O-N 3.13Å
773	V	90.8	Very high	89.1	Confident	20 Å²	20	54.2 Å²	54.2	12%	0.121	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-52.2	-44	179.2	170.5	0	0	0	0	113.4	P719 A723 Q775 S776 R777	P719-V773 HydrophobicContact CB-CG2 3.77Å; A723-V773 HydrophobicContact CB-CG1 3.66Å; A723-V773 HydrophobicContact CB-CG2 4.1Å; V773-Q775 VanDerWaalsContact C-N 3.25Å; V773-Q775 PolarHBondContact O-N 3Å; V773-S776 PolarHBondContact O-N 3.06Å; V773-S776 VanDerWaalsContact O-N 3.16Å; V773-S776 PolarHBondContact O-OG 3.15Å; V773-R777 VanDerWaalsContact CG1-CZ 3.42Å; V773-R777 WeakPolarHBondContact O-CG 3.23Å; V773-R777 PolarHBondContact O-N 2.56Å
774	P	90.4	Very high	89	Confident	38 Å²	38	54 Å²	54	25%	0.247	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-52.9	-35.2	172.7	-32.5	37.2	0	0	0	115.9	Q671 Q672	Q671-P774 HydrophobicContact CG-CB 4.06Å; Q671-P774 PolarHBondContact NE2-O 3.08Å; Q672-P774 HydrophobicContact CG-CG 4.07Å
775	Q	89.8	Confident	88.9	Confident	106 Å²	106	53.9 Å²	53.9	50%	0.495	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-82	-20.4	-177.1	-65.9	164.7	-34.6	0	0	112.6	A770 A771 T772 V773	A770-Q775 HydrophobicContact CB-CB 3.64Å; A771-Q775 VanDerWaalsContact N-OE1 3.12Å; T772-Q775 WeakPolarHBondContact O-CB 3.33Å; T772-Q775 PolarHBondContact O-N 3.35Å; T772-Q775 WeakPolarHBondContact OG1-CG 3.39Å; T772-Q775 PolarHBondContact OG1-OE1 3.15Å; V773-Q775 VanDerWaalsContact C-N 3.25Å; V773-Q775 PolarHBondContact O-N 3Å
776	S	92.6	Very high	88.7	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-101.8	11.5	176.6	69.9	0	0	0	0	113.1	R720 N724 V761 T772 V773 P778	R720-S776 VanDerWaalsContact CB-OG 3.3Å; R720-S776 WeakPolarHBondContact CB-OG 3.2Å; R720-S776 WeakPolarHBondContact CG-OG 3.42Å; N724-S776 PolarHBondContact ND2-O 2.91Å; V761-S776 WeakPolarHBondContact CG2-O 3.45Å; T772-S776 PolarHBondContact O-N 3.13Å; V773-S776 PolarHBondContact O-N 3.06Å; V773-S776 VanDerWaalsContact O-N 3.16Å; V773-S776 PolarHBondContact O-OG 3.15Å; S776-P778 WeakPolarHBondContact O-CD 3.21Å
777	R	92.8	Very high	88.3	Confident	13 Å²	13	54.9 Å²	54.9	5%	0.049	28%	0.28	C	S	.	.			trans	-71.4	119.8	175.1	-65.9	-51.7	-166.7	167.9	-0.6	110.4	Q671 H674 A723 N724 V773 T782	Q671-R777 HydrophobicContact CG-CG 4.19Å; Q671-R777 PolarHBondContact O-NE 3.18Å; H674-R777 PolarHBondContact O-NH2 2.99Å; A723-R777 VanDerWaalsContact C-NH1 3.33Å; A723-R777 PolarHBondContact O-NH1 3Å; N724-R777 WeakPolarHBondContact OD1-CD 3.42Å; N724-R777 PolarHBondContact OD1-NH1 2.83Å; V773-R777 VanDerWaalsContact CG1-CZ 3.42Å; V773-R777 WeakPolarHBondContact O-CG 3.23Å; V773-R777 PolarHBondContact O-N 2.56Å; R777-T782 WeakPolarHBondContact CB-OG1 3.24Å
778	P	93.3	Very high	88.3	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.254	C	S	.	.			trans	-69.8	162.6	173.2	30.5	-34.2	0	0	0	110.9	N724 D757 E760 V761 S776 K780 V781 T782	N724-P778 WeakPolarHBondContact OD1-CD 3.49Å; D757-P778 HydrophobicContact CB-CB 4.28Å; D757-P778 HydrophobicContact CB-CG 4.31Å; E760-P778 HydrophobicContact CB-CB 4.04Å; E760-P778 VanDerWaalsContact CD-CA 3.45Å; E760-P778 HydrophobicContact CG-CB 4.11Å; E760-P778 WeakPolarHBondContact OE2-CA 3.23Å; E760-P778 WeakPolarHBondContact OE2-CB 3.44Å; V761-P778 HydrophobicContact CG2-CG 4.1Å; S776-P778 WeakPolarHBondContact O-CD 3.21Å; P778-K780 VanDerWaalsContact C-N 3.34Å; P778-K780 PolarHBondContact O-N 2.92Å; P778-V781 HydrophobicContact CG-CB 3.92Å; P778-V781 HydrophobicContact CG-CG2 3.61Å; P778-V781 PolarHBondContact O-N 3.49Å; P778-T782 PolarHBondContact O-N 3.4Å; P778-T782 PolarHBondContact O-OG1 3.4Å; P778-T782 VanDerWaalsContact O-OG1 3.07Å
779	L	88.7	Confident	88.5	Confident	78 Å²	78	41.4 Å²	41.4	41%	0.408	22%	0.224	S	C	.	.	H	α-helix	trans	-60.9	-39.9	-171.3	-178.6	58.9	0	0	0	112.6	F587 E760 T782 N783	F587-L779 HydrophobicContact CB-CD2 4.44Å; E760-L779 PolarHBondContact OE1-N 2.81Å; E760-L779 PolarHBondContact OE2-N 3.11Å; L779-T782 PolarHBondContact O-N 3.38Å; L779-N783 WeakPolarHBondContact O-CB 3.49Å; L779-N783 PolarHBondContact O-N 2.68Å; L779-N783 PolarHBondContact O-ND2 3.43Å
780	K	89.4	Confident	88.4	Confident	51 Å²	51	33.5 Å²	33.5	22%	0.222	19%	0.191	C	C	.	.	H	α-helix	trans	-62	-46.1	177.2	-62.7	-171.8	-158.4	140.6	0	112	V750 F752 D757 P778 N783 Y784	V750-K780 HydrophobicContact CG1-CB 3.98Å; F752-K780 PolarHBondContact O-NZ 3.48Å; D757-K780 WeakPolarHBondContact OD1-CD 3.22Å; D757-K780 WeakPolarHBondContact OD1-CE 3.26Å; D757-K780 WeakPolarHBondContact OD1-CG 3.41Å; D757-K780 IonicContact OD1-NZ 3.32Å; D757-K780 PolarHBondContact OD1-NZ 3.3Å; D757-K780 IonicContact OD2-NZ 3.27Å; D757-K780 PolarHBondContact OD2-NZ 2.87Å; P778-K780 VanDerWaalsContact C-N 3.34Å; P778-K780 PolarHBondContact O-N 2.92Å; K780-N783 PolarHBondContact O-N 2.8Å; K780-Y784 WeakPolarHBondContact O-CB 3.41Å; K780-Y784 PolarHBondContact O-N 2.97Å
781	V	91	Very high	88.3	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64.2	-44.2	177.3	172.7	0	0	0	0	110.6	L676 V750 L753 P778 N783 Y784 L785	L676-V781 HydrophobicContact CD1-CB 4.35Å; L676-V781 HydrophobicContact CD1-CG1 3.79Å; L676-V781 HydrophobicContact CD1-CG2 3.65Å; V750-V781 HydrophobicContact CG1-CG2 4.49Å; V750-V781 HydrophobicContact CG2-CG2 4.35Å; L753-V781 HydrophobicContact CD1-CG2 3.97Å; P778-V781 HydrophobicContact CG-CB 3.92Å; P778-V781 HydrophobicContact CG-CG2 3.61Å; P778-V781 PolarHBondContact O-N 3.49Å; V781-N783 VanDerWaalsContact C-N 3.28Å; V781-N783 PolarHBondContact O-N 2.89Å; V781-Y784 WeakPolarHBondContact O-CB 3.19Å; V781-Y784 PolarHBondContact O-N 3.29Å; V781-L785 HydrophobicContact CG1-CD1 3.94Å; V781-L785 HydrophobicContact CG1-CG 4.28Å; V781-L785 WeakPolarHBondContact O-CG 3.45Å; V781-L785 PolarHBondContact O-N 3.47Å
782	T	90.5	Very high	88.1	Confident	21 Å²	21	34.5 Å²	34.5	13%	0.129	18%	0.18	C	C	.	.	H	α-helix	trans	-58.6	-40.7	176.9	-59.4	0	0	0	0	111.8	F667 R777 P778 L779 K786	F667-T782 HydrophobicContact CZ-CG2 4.19Å; R777-T782 WeakPolarHBondContact CB-OG1 3.24Å; P778-T782 PolarHBondContact O-N 3.4Å; P778-T782 PolarHBondContact O-OG1 3.4Å; P778-T782 VanDerWaalsContact O-OG1 3.07Å; L779-T782 PolarHBondContact O-N 3.38Å; T782-K786 WeakPolarHBondContact O-CG 3.43Å; T782-K786 PolarHBondContact O-N 3.44Å
783	N	88.5	Confident	87.6	Confident	59 Å²	59	31.4 Å²	31.4	32%	0.316	16%	0.162	S	C	.	.	H	α-helix	trans	-73.1	-34.3	177.2	-70.7	-28.8	0	0	0	113.1	L779 K780 V781 K786 A787	L779-N783 WeakPolarHBondContact O-CB 3.49Å; L779-N783 PolarHBondContact O-N 2.68Å; L779-N783 PolarHBondContact O-ND2 3.43Å; K780-N783 PolarHBondContact O-N 2.8Å; V781-N783 VanDerWaalsContact C-N 3.28Å; V781-N783 PolarHBondContact O-N 2.89Å; N783-K786 PolarHBondContact O-N 2.99Å; N783-A787 PolarHBondContact O-N 3Å; N783-A787 VanDerWaalsContact O-N 3.12Å
784	Y	88.8	Confident	86.7	Confident	22 Å²	22	36.3 Å²	36.3	9%	0.086	18%	0.178	C	C	.	.	H	α-helix	trans	-59.1	-49.8	169.6	165.7	-85.4	0	0	0	111.3	Y478 L676 C749 V750 K780 V781 K786 A787 E788	Y478-Y784 HydrophobicContact CD2-CE2 4.48Å; Y478-Y784 HydrophobicContact CE1-CE2 4.38Å; Y478-Y784 HydrophobicContact CE2-CD2 4.06Å; Y478-Y784 AromaticContact CE2-CE2 3.57Å; Y478-Y784 HydrophobicContact CE2-CE2 3.57Å; Y478-Y784 AromaticContact CZ-CE2 3.51Å; Y478-Y784 WeakPolarHBondContact OH-CE2 3.3Å; Y478-Y784 PolarHBondContact OH-OH 2.88Å; L676-Y784 HydrophobicContact CD2-CD1 3.91Å; L676-Y784 HydrophobicContact CD2-CE1 3.42Å; L676-Y784 VanDerWaalsContact CD2-CE1 3.42Å; C749-Y784 HydrophobicContact CB-CE2 3.85Å; C749-Y784 WeakPolarHBondContact O-CD2 3.2Å; C749-Y784 VanDerWaalsContact O-CE2 3.27Å; C749-Y784 WeakPolarHBondContact O-CE2 3.24Å; V750-Y784 HydrophobicContact CG2-CD1 4.21Å; V750-Y784 HydrophobicContact CG2-CD2 3.83Å; V750-Y784 HydrophobicContact CG2-CE2 4.28Å; V750-Y784 HydrophobicContact CG2-CG 3.8Å; K780-Y784 WeakPolarHBondContact O-CB 3.41Å; K780-Y784 PolarHBondContact O-N 2.97Å; V781-Y784 WeakPolarHBondContact O-CB 3.19Å; V781-Y784 PolarHBondContact O-N 3.29Å; Y784-K786 VanDerWaalsContact C-N 3.28Å; Y784-K786 PolarHBondContact O-N 2.99Å; Y784-A787 PolarHBondContact O-N 3.49Å; Y784-A787 VanDerWaalsContact O-N 3.07Å; Y784-E788 PolarHBondContact O-N 3.43Å
785	L	89.6	Confident	85.9	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-65.3	-30.8	-178.5	-61.5	172.4	0	0	0	112.1	F667 L670 H674 V781 A789	F667-L785 HydrophobicContact CD2-CB 4.25Å; F667-L785 HydrophobicContact CE2-CB 4.06Å; L670-L785 HydrophobicContact CB-CB 4.27Å; L670-L785 HydrophobicContact CB-CD2 4.13Å; H674-L785 HydrophobicContact CB-CD2 4.06Å; V781-L785 HydrophobicContact CG1-CD1 3.94Å; V781-L785 HydrophobicContact CG1-CG 4.28Å; V781-L785 WeakPolarHBondContact O-CG 3.45Å; V781-L785 PolarHBondContact O-N 3.47Å; L785-A789 WeakPolarHBondContact O-CB 3.09Å; L785-A789 PolarHBondContact O-N 2.93Å
786	K	86	Confident	84.7	Confident	68 Å²	68	38.5 Å²	38.5	30%	0.296	19%	0.187	S	C	.	.	H	α-helix	trans	-64.1	-46.4	169.7	-74.7	176.6	-174.4	172.8	0	112.2	F667 T782 N783 Y784 E788 A789 V790 I824	F667-K786 HydrophobicContact CD2-CB 4.34Å; F667-K786 HydrophobicContact CD2-CG 3.65Å; F667-K786 HydrophobicContact CE1-CG 4.38Å; F667-K786 HydrophobicContact CE2-CB 4.35Å; F667-K786 HydrophobicContact CE2-CD 4.43Å; F667-K786 HydrophobicContact CE2-CG 3.38Å; F667-K786 HydrophobicContact CG-CG 4.28Å; F667-K786 HydrophobicContact CZ-CD 4.43Å; F667-K786 HydrophobicContact CZ-CG 3.79Å; T782-K786 WeakPolarHBondContact O-CG 3.43Å; T782-K786 PolarHBondContact O-N 3.44Å; N783-K786 PolarHBondContact O-N 2.99Å; Y784-K786 VanDerWaalsContact C-N 3.28Å; Y784-K786 PolarHBondContact O-N 2.99Å; K786-E788 VanDerWaalsContact C-N 3.34Å; K786-A789 PolarHBondContact O-N 3.36Å; K786-V790 PolarHBondContact O-N 2.86Å; K786-I824 HydrophobicContact CB-CD1 4.02Å; K786-I824 HydrophobicContact CG-CB 4.44Å; K786-I824 HydrophobicContact CG-CD1 4.42Å; K786-I824 VanDerWaalsContact O-CD1 3.31Å; K786-I824 WeakPolarHBondContact O-CD1 3.37Å
787	A	81.5	Confident	83.6	Confident	43 Å²	43	42.3 Å²	42.3	36%	0.355	21%	0.211	S	C	.	.	H	α-helix	trans	-63.9	-41	178	0	0	0	0	0	111.7	N783 Y784 V790 R791	N783-A787 PolarHBondContact O-N 3Å; N783-A787 VanDerWaalsContact O-N 3.12Å; Y784-A787 PolarHBondContact O-N 3.49Å; Y784-A787 VanDerWaalsContact O-N 3.07Å; A787-V790 PolarHBondContact O-N 3Å; A787-R791 PolarHBondContact O-N 2.72Å
788	E	84.1	Confident	82.1	Confident	21 Å²	21	44.9 Å²	44.9	10%	0.098	23%	0.231	C	C	.	.	H	α-helix	trans	-67.3	-37.9	178.4	-172.8	66.5	174	0	0	112.3	Y478 L670 Y784 K786 V790 R791 L792	Y478-E788 WeakPolarHBondContact CE1-OE2 3.15Å; L670-E788 HydrophobicContact CD1-CB 4.11Å; L670-E788 HydrophobicContact CD1-CG 4.05Å; Y784-E788 PolarHBondContact O-N 3.43Å; K786-E788 VanDerWaalsContact C-N 3.34Å; E788-V790 VanDerWaalsContact C-N 3.33Å; E788-V790 PolarHBondContact O-N 2.88Å; E788-R791 PolarHBondContact O-N 3.44Å; E788-R791 IonicContact OE1-CZ 3.86Å; E788-R791 IonicContact OE1-NE 3.76Å; E788-R791 PolarHBondContact OE1-NE 2.86Å; E788-R791 IonicContact OE1-NH2 2.88Å; E788-R791 PolarHBondContact OE1-NH2 2.82Å; E788-R791 IonicContact OE2-CZ 3.77Å; E788-R791 IonicContact OE2-NE 2.67Å; E788-R791 PolarHBondContact OE2-NE 3.41Å; E788-R791 IonicContact OE2-NH2 2.77Å; E788-L792 HydrophobicContact CG-CD1 4.25Å; E788-L792 WeakPolarHBondContact O-CB 3.42Å; E788-L792 WeakPolarHBondContact O-CG 3.4Å; E788-L792 PolarHBondContact O-N 2.96Å
789	A	86.1	Confident	80.9	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-58.6	-42.1	172	0	0	0	0	0	112.5	L666 F667 L670 L785 K786 A793	L666-A789 HydrophobicContact CB-CB 4.18Å; F667-A789 HydrophobicContact CB-CB 3.68Å; L670-A789 HydrophobicContact CD1-CB 4.09Å; L785-A789 WeakPolarHBondContact O-CB 3.09Å; L785-A789 PolarHBondContact O-N 2.93Å; K786-A789 PolarHBondContact O-N 3.36Å; A789-A793 VanDerWaalsContact O-CB 3.3Å; A789-A793 WeakPolarHBondContact O-CB 3.42Å; A789-A793 PolarHBondContact O-N 2.89Å
790	V	82.8	Confident	80.2	Confident	14 Å²	14	47.4 Å²	47.4	9%	0.085	25%	0.245	C	C	.	.	H	α-helix	trans	-67.2	-41.2	174.4	177.8	0	0	0	0	111.3	E663 K786 A787 E788 L792 A793 R794 I824	E663-V790 HydrophobicContact CG-CG2 4.22Å; K786-V790 PolarHBondContact O-N 2.86Å; A787-V790 PolarHBondContact O-N 3Å; E788-V790 VanDerWaalsContact C-N 3.33Å; E788-V790 PolarHBondContact O-N 2.88Å; V790-L792 VanDerWaalsContact C-N 3.3Å; V790-L792 PolarHBondContact O-N 2.9Å; V790-A793 PolarHBondContact O-N 3.33Å; V790-R794 HydrophobicContact CG1-CG 4.36Å; V790-R794 VanDerWaalsContact CG1-NE 3.29Å; V790-R794 WeakPolarHBondContact O-CB 3.47Å; V790-R794 WeakPolarHBondContact O-CD 3.36Å; V790-R794 WeakPolarHBondContact O-CG 3.43Å; V790-R794 PolarHBondContact O-N 3.5Å; V790-I824 HydrophobicContact CG2-CD1 3.41Å; V790-I824 VanDerWaalsContact CG2-CD1 3.41Å; V790-I824 HydrophobicContact CG2-CG1 4.48Å
791	R	83.5	Confident	79.7	Confident	51 Å²	51	48 Å²	48	19%	0.192	26%	0.255	C	S	.	.	H	α-helix	trans	-61.1	-40.7	178.5	-162.6	-162.2	57.6	62.1	0.1	111.3	D479 A787 E788 Q795	D479-R791 WeakPolarHBondContact OD1-CD 3.41Å; A787-R791 PolarHBondContact O-N 2.72Å; E788-R791 PolarHBondContact O-N 3.44Å; E788-R791 IonicContact OE1-CZ 3.86Å; E788-R791 IonicContact OE1-NE 3.76Å; E788-R791 PolarHBondContact OE1-NE 2.86Å; E788-R791 IonicContact OE1-NH2 2.88Å; E788-R791 PolarHBondContact OE1-NH2 2.82Å; E788-R791 IonicContact OE2-CZ 3.77Å; E788-R791 IonicContact OE2-NE 2.67Å; E788-R791 PolarHBondContact OE2-NE 3.41Å; E788-R791 IonicContact OE2-NH2 2.77Å; R791-Q795 VanDerWaalsContact NH1-CD 3.31Å; R791-Q795 WeakPolarHBondContact O-CG 3.34Å
792	L	79.3	Confident	79	Confident	52 Å²	52	49.1 Å²	49.1	27%	0.272	27%	0.267	S	S	.	.	H	α-helix	trans	-73	-45.2	176.2	-69.7	169.7	0	0	0	112.6	L666 L670 E788 V790 R794 Q795	L666-L792 HydrophobicContact CD1-CB 3.98Å; L670-L792 HydrophobicContact CD1-CD1 4.23Å; E788-L792 HydrophobicContact CG-CD1 4.25Å; E788-L792 WeakPolarHBondContact O-CB 3.42Å; E788-L792 WeakPolarHBondContact O-CG 3.4Å; E788-L792 PolarHBondContact O-N 2.96Å; V790-L792 VanDerWaalsContact C-N 3.3Å; V790-L792 PolarHBondContact O-N 2.9Å; L792-R794 PolarHBondContact O-N 2.79Å; L792-Q795 WeakPolarHBondContact O-CB 3.49Å; L792-Q795 PolarHBondContact O-N 3.46Å
793	A	80.2	Confident	78.5	Confident	3 Å²	3	53.6 Å²	53.6	3%	0.025	29%	0.286	C	S	.	.	H	α-helix	trans	-59.5	-31.3	177.5	0	0	0	0	0	112.6	E663 L666 A789 V790 Q795 L796	E663-A793 HydrophobicContact CG-CB 3.87Å; L666-A793 HydrophobicContact CD1-CB 3.99Å; A789-A793 VanDerWaalsContact O-CB 3.3Å; A789-A793 WeakPolarHBondContact O-CB 3.42Å; A789-A793 PolarHBondContact O-N 2.89Å; V790-A793 PolarHBondContact O-N 3.33Å; A793-Q795 PolarHBondContact O-N 2.88Å; A793-L796 PolarHBondContact O-N 2.86Å
794	R	72.9	Confident	78.2	Confident	122 Å²	122	54.9 Å²	54.9	46%	0.46	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-8.9	174.1	-73.9	170.7	177.7	-134.8	-8.2	114.8	E432 V790 L792	E432-R794 IonicContact OE1-CZ 3.8Å; E432-R794 IonicContact OE1-NH1 2.67Å; E432-R794 PolarHBondContact OE1-NH1 2.9Å; E432-R794 VanDerWaalsContact OE1-NH1 3.16Å; E432-R794 IonicContact OE1-NH2 2.66Å; E432-R794 PolarHBondContact OE1-NH2 3.12Å; V790-R794 HydrophobicContact CG1-CG 4.36Å; V790-R794 VanDerWaalsContact CG1-NE 3.29Å; V790-R794 WeakPolarHBondContact O-CB 3.47Å; V790-R794 WeakPolarHBondContact O-CD 3.36Å; V790-R794 WeakPolarHBondContact O-CG 3.43Å; V790-R794 PolarHBondContact O-N 3.5Å; L792-R794 PolarHBondContact O-N 2.79Å
795	Q	72.1	Confident	77.9	Confident	132 Å²	132	53.9 Å²	53.9	62%	0.617	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-2.8	176.6	-67	179	-48.7	0	0	112.7	R791 L792 A793	R791-Q795 VanDerWaalsContact NH1-CD 3.31Å; R791-Q795 WeakPolarHBondContact O-CG 3.34Å; L792-Q795 WeakPolarHBondContact O-CB 3.49Å; L792-Q795 PolarHBondContact O-N 3.46Å; A793-Q795 PolarHBondContact O-N 2.88Å
796	L	65.9	Low	77.5	Confident	59 Å²	59	57.1 Å²	57.1	31%	0.309	30%	0.3	S	S	.	.	S	Bend	trans	-74.4	152.3	175.8	-63.4	173.2	0	0	0	112	F659 E662 A793	F659-L796 HydrophobicContact CE1-CB 4.48Å; E662-L796 HydrophobicContact CB-CD1 3.64Å; E662-L796 HydrophobicContact CG-CD1 3.58Å; A793-L796 PolarHBondContact O-N 2.86Å
797	P	68.7	Low	77.4	Confident	80 Å²	80	58.6 Å²	58.6	52%	0.519	31%	0.308	S	S	.	.			trans	-55.5	146.4	175.1	-26.1	35.5	0	0	0	113.6	D799	P797-D799 VanDerWaalsContact C-N 3.26Å; P797-D799 PolarHBondContact O-N 3.38Å
798	S	61.9	Low	77.6	Confident	66 Å²	66	56.6 Å²	56.6	46%	0.462	29%	0.292	S	S	.	.	S	Bend	trans	-75.3	-16	174.6	-71.8	0	0	0	0	113.8	R637 N642	R637-S798 PolarHBondContact NH2-O 3.15Å; N642-S798 PolarHBondContact ND2-O 3.12Å
799	D	66.6	Low	77.6	Confident	106 Å²	106	56 Å²	56	57%	0.567	29%	0.289	S	S	*	.			trans	-123.6	52.3	-163.6	-65.6	-76.1	0	0	0	111.5	R637 P797	R637-D799 IonicContact CZ-OD1 3.65Å; R637-D799 IonicContact NH1-OD1 3.8Å; R637-D799 PolarHBondContact NH1-OD1 3.09Å; R637-D799 IonicContact NH2-OD1 2.75Å; R637-D799 PolarHBondContact NH2-OD1 2.87Å; P797-D799 VanDerWaalsContact C-N 3.26Å; P797-D799 PolarHBondContact O-N 3.38Å
800	L	74.3	Confident	77.4	Confident	25 Å²	25	58.8 Å²	58.8	13%	0.131	30%	0.302	C	S	.	.			trans	-59	137.1	175.1	-63.5	170.2	0	0	0	111.2	W644 P658 E804 V805	W644-L800 WeakPolarHBondContact CZ2-O 3.46Å; P658-L800 HydrophobicContact CB-CD1 3.59Å; P658-L800 HydrophobicContact CG-CD1 3.89Å; L800-E804 VanDerWaalsContact CA-OE2 3.26Å; L800-E804 WeakPolarHBondContact CA-OE2 3.46Å; L800-E804 HydrophobicContact CD2-CB 4.29Å; L800-V805 HydrophobicContact CB-CG2 4.01Å
801	C	80.4	Confident	77.5	Confident	64 Å²	64	60.7 Å²	60.7	43%	0.432	31%	0.308	S	S	.	.			trans	-85.4	172.3	177.2	88	0	0	0	0	112.4	E803 E804 V805	C801-E803 PolarHBondContact O-N 3.31Å; C801-E804 PolarHBondContact N-OE2 3.4Å; C801-E804 PolarHBondContact O-N 2.67Å; C801-E804 PolarHBondContact SG-N 2.86Å; C801-V805 WeakPolarHBondContact O-CG2 2.97Å; C801-V805 PolarHBondContact O-N 3.21Å; C801-V805 VanDerWaalsContact O-N 3.08Å
802	G	76.1	Confident	77.5	Confident	24 Å²	24	58.6 Å²	58.6	25%	0.247	30%	0.301	C	S	.	.	H	α-helix	trans	-61	-38.8	-178	0	0	0	0	0	114.1	V805 K806	G802-V805 PolarHBondContact O-N 3.21Å; G802-K806 WeakPolarHBondContact O-CB 3.13Å; G802-K806 PolarHBondContact O-N 3.4Å
803	E	78.6	Confident	77.5	Confident	115 Å²	115	57.7 Å²	57.7	54%	0.537	30%	0.295	S	S	.	.	H	α-helix	trans	-74.8	-37.3	179.3	-68.6	-62.7	128.7	0	0	112.3	C801 V805 K806 E807	C801-E803 PolarHBondContact O-N 3.31Å; E803-V805 VanDerWaalsContact C-N 3.29Å; E803-V805 PolarHBondContact O-N 2.8Å; E803-K806 WeakPolarHBondContact O-CB 3.38Å; E803-K806 PolarHBondContact O-N 3.41Å; E803-K806 IonicContact OE1-NZ 3.87Å; E803-K806 PolarHBondContact OE1-NZ 3.41Å; E803-K806 IonicContact OE2-NZ 2.67Å; E803-K806 PolarHBondContact OE2-NZ 3.22Å; E803-E807 PolarHBondContact O-N 3.46Å
804	E	81.8	Confident	77.5	Confident	86 Å²	86	65.8 Å²	65.8	40%	0.402	33%	0.325	S	S	.	.	H	α-helix	trans	-62.1	-37.5	172.3	-70.6	171.9	141.5	0	0	111.8	L800 C801 L808	L800-E804 VanDerWaalsContact CA-OE2 3.26Å; L800-E804 WeakPolarHBondContact CA-OE2 3.46Å; L800-E804 HydrophobicContact CD2-CB 4.29Å; C801-E804 PolarHBondContact N-OE2 3.4Å; C801-E804 PolarHBondContact O-N 2.67Å; C801-E804 PolarHBondContact SG-N 2.86Å; E804-L808 VanDerWaalsContact O-CB 3.29Å; E804-L808 WeakPolarHBondContact O-CB 3.31Å; E804-L808 PolarHBondContact O-N 2.81Å
805	V	83.2	Confident	77.8	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-70.2	-36	175.7	166	0	0	0	0	112.3	W644 I646 L656 L800 C801 G802 E803 L808 L809	W644-V805 HydrophobicContact CB-CG1 4.28Å; W644-V805 HydrophobicContact CD2-CB 4.43Å; W644-V805 HydrophobicContact CD2-CG1 4.18Å; W644-V805 HydrophobicContact CD2-CG2 4.06Å; W644-V805 HydrophobicContact CE3-CG1 4.46Å; W644-V805 HydrophobicContact CG-CG1 4.1Å; W644-V805 HydrophobicContact CG-CG2 4.07Å; W644-V805 HydrophobicContact CZ2-CG2 4.37Å; I646-V805 HydrophobicContact CD1-CG1 4.04Å; L656-V805 HydrophobicContact CD2-CG1 3.63Å; L800-V805 HydrophobicContact CB-CG2 4.01Å; C801-V805 WeakPolarHBondContact O-CG2 2.97Å; C801-V805 PolarHBondContact O-N 3.21Å; C801-V805 VanDerWaalsContact O-N 3.08Å; G802-V805 PolarHBondContact O-N 3.21Å; E803-V805 VanDerWaalsContact C-N 3.29Å; E803-V805 PolarHBondContact O-N 2.8Å; V805-L808 WeakPolarHBondContact O-CB 3.3Å; V805-L808 PolarHBondContact O-N 3.44Å; V805-L809 WeakPolarHBondContact O-CG 3.47Å; V805-L809 PolarHBondContact O-N 2.93Å
806	K	82.2	Confident	77.8	Confident	69 Å²	69	58.7 Å²	58.7	30%	0.3	30%	0.295	S	S	.	.	H	α-helix	trans	-67	-46.4	173	175.7	176.8	154.4	-150.7	0	111.2	G802 E803 L808 L809 E810	G802-K806 WeakPolarHBondContact O-CB 3.13Å; G802-K806 PolarHBondContact O-N 3.4Å; E803-K806 WeakPolarHBondContact O-CB 3.38Å; E803-K806 PolarHBondContact O-N 3.41Å; E803-K806 IonicContact OE1-NZ 3.87Å; E803-K806 PolarHBondContact OE1-NZ 3.41Å; E803-K806 IonicContact OE2-NZ 2.67Å; E803-K806 PolarHBondContact OE2-NZ 3.22Å; K806-L808 VanDerWaalsContact C-N 3.31Å; K806-L808 PolarHBondContact O-N 3.29Å; K806-L809 PolarHBondContact O-N 3.13Å; K806-L809 VanDerWaalsContact O-N 3.17Å; K806-E810 WeakPolarHBondContact O-CG 3.41Å; K806-E810 PolarHBondContact O-N 2.77Å
807	E	83.8	Confident	77.7	Confident	99 Å²	99	57.4 Å²	57.4	46%	0.463	30%	0.296	S	S	.	.	H	α-helix	trans	-61.5	-39.2	174.2	-159.7	-140.2	130.5	0	0	111.6	E803 E810 R811	E803-E807 PolarHBondContact O-N 3.46Å; E807-E810 PolarHBondContact O-N 2.78Å; E807-R811 WeakPolarHBondContact O-CB 3.31Å; E807-R811 VanDerWaalsContact O-CG 3.27Å; E807-R811 WeakPolarHBondContact O-CG 3.42Å; E807-R811 PolarHBondContact O-N 3.12Å; E807-R811 PolarHBondContact O-NE 3.34Å; E807-R811 WeakPolarHBondContact OE1-CD 3.4Å; E807-R811 IonicContact OE1-CZ 3.48Å; E807-R811 IonicContact OE1-NE 3.71Å; E807-R811 PolarHBondContact OE1-NE 2.71Å
808	L	85.9	Confident	77.2	Confident	1 Å²	1	55 Å²	55	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-57.8	-49.9	171.9	171.7	54.1	0	0	0	111.6	P658 A661 E662 L665 E804 V805 K806 E810 R811 T812	P658-L808 HydrophobicContact CB-CD2 3.53Å; A661-L808 HydrophobicContact CB-CD1 3.97Å; A661-L808 HydrophobicContact CB-CD2 4.29Å; A661-L808 HydrophobicContact CB-CG 4.27Å; E662-L808 HydrophobicContact CG-CD1 3.72Å; E662-L808 HydrophobicContact CG-CD2 4.12Å; L665-L808 HydrophobicContact CD1-CD1 3.6Å; E804-L808 VanDerWaalsContact O-CB 3.29Å; E804-L808 WeakPolarHBondContact O-CB 3.31Å; E804-L808 PolarHBondContact O-N 2.81Å; V805-L808 WeakPolarHBondContact O-CB 3.3Å; V805-L808 PolarHBondContact O-N 3.44Å; K806-L808 VanDerWaalsContact C-N 3.31Å; K806-L808 PolarHBondContact O-N 3.29Å; L808-E810 VanDerWaalsContact C-N 3.35Å; L808-E810 PolarHBondContact O-N 2.98Å; L808-R811 PolarHBondContact O-N 3.42Å; L808-T812 WeakPolarHBondContact O-CB 3.21Å; L808-T812 PolarHBondContact O-N 3.27Å; L808-T812 PolarHBondContact O-OG1 3.36Å; L808-T812 VanDerWaalsContact O-OG1 3.07Å
809	L	83	Confident	76.9	Confident	9 Å²	9	58.5 Å²	58.5	5%	0.047	30%	0.304	C	S	.	.	H	α-helix	trans	-60.6	-42.5	177.1	-72	171.1	0	0	0	112.1	L632 I646 L656 V805 K806 R811 T812 E813	L632-L809 HydrophobicContact CB-CD1 4.36Å; L632-L809 HydrophobicContact CD1-CB 4.43Å; L632-L809 HydrophobicContact CD1-CD2 4.35Å; I646-L809 HydrophobicContact CD1-CD1 3.82Å; I646-L809 HydrophobicContact CG1-CD1 4.06Å; I646-L809 HydrophobicContact CG2-CD1 3.89Å; L656-L809 HydrophobicContact CD1-CD2 4.02Å; L656-L809 HydrophobicContact CD2-CD1 4.29Å; L656-L809 HydrophobicContact CD2-CD2 3.92Å; L656-L809 HydrophobicContact CD2-CG 4.05Å; V805-L809 WeakPolarHBondContact O-CG 3.47Å; V805-L809 PolarHBondContact O-N 2.93Å; K806-L809 PolarHBondContact O-N 3.13Å; K806-L809 VanDerWaalsContact O-N 3.17Å; L809-R811 PolarHBondContact O-N 3.26Å; L809-T812 WeakPolarHBondContact O-CB 3.37Å; L809-T812 PolarHBondContact O-N 2.94Å; L809-E813 PolarHBondContact O-N 3.47Å
810	E	82.3	Confident	76.7	Confident	58 Å²	58	57.2 Å²	57.2	27%	0.271	30%	0.297	S	S	.	.	H	α-helix	trans	-66.2	-34.6	175.9	-70.1	-178.4	-168.4	0	0	113	P629 K806 E807 L808 R814	P629-E810 WeakPolarHBondContact CD-OE1 3.48Å; P629-E810 HydrophobicContact CG-CG 4.05Å; K806-E810 WeakPolarHBondContact O-CG 3.41Å; K806-E810 PolarHBondContact O-N 2.77Å; E807-E810 PolarHBondContact O-N 2.78Å; L808-E810 VanDerWaalsContact C-N 3.35Å; L808-E810 PolarHBondContact O-N 2.98Å; E810-R814 WeakPolarHBondContact O-CB 3.12Å; E810-R814 VanDerWaalsContact O-CG 3.28Å; E810-R814 WeakPolarHBondContact O-CG 3.4Å; E810-R814 PolarHBondContact O-N 3.21Å; E810-R814 PolarHBondContact O-NE 2.95Å
811	R	85.8	Confident	76.7	Confident	54 Å²	54	59.2 Å²	59.2	20%	0.204	30%	0.303	C	S	.	.	H	α-helix	trans	-68.6	-40.6	172.3	-75.2	-176.9	-73.5	129.9	1.4	111	E662 L665 E807 L808 L809 R815	E662-R811 IonicContact OE1-CZ 2.68Å; E662-R811 VanDerWaalsContact OE1-CZ 3.27Å; E662-R811 IonicContact OE1-NH1 2.99Å; E662-R811 PolarHBondContact OE1-NH1 3.01Å; E662-R811 IonicContact OE1-NH2 2.76Å; E662-R811 PolarHBondContact OE1-NH2 2.69Å; E662-R811 IonicContact OE2-NH1 2.81Å; E662-R811 PolarHBondContact OE2-NH1 3.32Å; L665-R811 HydrophobicContact CD1-CB 3.91Å; E807-R811 WeakPolarHBondContact O-CB 3.31Å; E807-R811 VanDerWaalsContact O-CG 3.27Å; E807-R811 WeakPolarHBondContact O-CG 3.42Å; E807-R811 PolarHBondContact O-N 3.12Å; E807-R811 PolarHBondContact O-NE 3.34Å; E807-R811 WeakPolarHBondContact OE1-CD 3.4Å; E807-R811 IonicContact OE1-CZ 3.48Å; E807-R811 IonicContact OE1-NE 3.71Å; E807-R811 PolarHBondContact OE1-NE 2.71Å; L808-R811 PolarHBondContact O-N 3.42Å; L809-R811 PolarHBondContact O-N 3.26Å; R811-R815 PolarHBondContact O-N 3.04Å
812	T	82.6	Confident	76.7	Confident	7 Å²	7	58.4 Å²	58.4	4%	0.043	30%	0.297	C	S	.	.	H	α-helix	trans	-59.9	-55.9	175	-68.6	0	0	0	0	111.4	L808 L809 R814 R815 L816 F829	L808-T812 WeakPolarHBondContact O-CB 3.21Å; L808-T812 PolarHBondContact O-N 3.27Å; L808-T812 PolarHBondContact O-OG1 3.36Å; L808-T812 VanDerWaalsContact O-OG1 3.07Å; L809-T812 WeakPolarHBondContact O-CB 3.37Å; L809-T812 PolarHBondContact O-N 2.94Å; T812-R814 VanDerWaalsContact C-N 3.33Å; T812-R814 PolarHBondContact O-N 2.76Å; T812-R815 PolarHBondContact O-N 3.28Å; T812-L816 HydrophobicContact CG2-CD1 4.27Å; T812-L816 PolarHBondContact O-N 2.7Å; T812-F829 HydrophobicContact CG2-CE1 4.45Å; T812-F829 HydrophobicContact CG2-CE2 3.5Å; T812-F829 VanDerWaalsContact CG2-CE2 3.5Å; T812-F829 HydrophobicContact CG2-CZ 3.4Å
813	E	79.6	Confident	76.9	Confident	33 Å²	33	57.5 Å²	57.5	15%	0.154	29%	0.286	C	S	.	.	H	α-helix	trans	-61.5	-39.4	-178.6	-70.2	-148.1	134.1	0	0	112.6	R630 L632 L809 G817	R630-E813 WeakPolarHBondContact CB-OE2 3.14Å; R630-E813 VanDerWaalsContact CD-OE2 3.27Å; R630-E813 WeakPolarHBondContact CD-OE2 3.35Å; R630-E813 WeakPolarHBondContact CG-OE2 3.44Å; L632-E813 HydrophobicContact CD1-CG 4.08Å; L809-E813 PolarHBondContact O-N 3.47Å; E813-G817 WeakPolarHBondContact O-CA 3.33Å; E813-G817 PolarHBondContact O-N 2.92Å
814	R	80.7	Confident	76.9	Confident	172 Å²	172	53.6 Å²	53.6	65%	0.649	27%	0.269	S	S	*	.	H	α-helix	trans	-67	-33.3	179.2	-79.8	-178.7	-72.1	169.3	-10	114.1	E810 T812	E810-R814 WeakPolarHBondContact O-CB 3.12Å; E810-R814 VanDerWaalsContact O-CG 3.28Å; E810-R814 WeakPolarHBondContact O-CG 3.4Å; E810-R814 PolarHBondContact O-N 3.21Å; E810-R814 PolarHBondContact O-NE 2.95Å; T812-R814 VanDerWaalsContact C-N 3.33Å; T812-R814 PolarHBondContact O-N 2.76Å
815	R	77.6	Confident	76.6	Confident	70 Å²	70	54.1 Å²	54.1	26%	0.264	27%	0.271	S	S	.	.	H	α-helix	trans	-107	-39.2	-171.4	-64.8	-172	65.9	-127.8	1.4	114.5	L665 Q668 R669 R811 T812	L665-R815 HydrophobicContact CD2-CB 3.87Å; L665-R815 HydrophobicContact CD2-CG 4.44Å; L665-R815 PolarHBondContact O-NH1 2.94Å; Q668-R815 PolarHBondContact NE2-O 3.09Å; Q668-R815 PolarHBondContact OE1-O 3.04Å; R669-R815 VanDerWaalsContact CA-NH2 3.32Å; R811-R815 PolarHBondContact O-N 3.04Å; T812-R815 PolarHBondContact O-N 3.28Å
816	L	72.8	Confident	76.2	Confident	36 Å²	36	57 Å²	57	19%	0.188	30%	0.301	C	S	.	.	H	α-helix	trans	-93.1	-12.5	-179.4	-65.2	164.4	0	0	0	112.5	A664 L665 Q668 T812 F829	A664-L816 HydrophobicContact CB-CD1 3.55Å; A664-L816 HydrophobicContact CB-CD2 4.45Å; L665-L816 HydrophobicContact CD2-CD1 4.15Å; L665-L816 HydrophobicContact CD2-CG 4.33Å; L665-L816 HydrophobicContact CG-CD1 4.14Å; Q668-L816 HydrophobicContact CB-CD2 4.3Å; Q668-L816 HydrophobicContact CG-CD2 4.48Å; T812-L816 HydrophobicContact CG2-CD1 4.27Å; T812-L816 PolarHBondContact O-N 2.7Å; L816-F829 HydrophobicContact CD1-CE1 4.21Å; L816-F829 HydrophobicContact CD1-CZ 4.39Å
817	G	64.6	Low	75.9	Confident	31 Å²	31	58.1 Å²	58.1	32%	0.32	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.9	171.6	-177.1	0	0	0	0	0	112.9	E813 T819	E813-G817 WeakPolarHBondContact O-CA 3.33Å; E813-G817 PolarHBondContact O-N 2.92Å; G817-T819 VanDerWaalsContact C-N 3.3Å; G817-T819 PolarHBondContact O-N 2.74Å
818	G	58.1	Low	75.7	Confident	30 Å²	30	57.4 Å²	57.4	31%	0.309	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-18.3	-174.5	0	0	0	0	0	115.1	R821	G818-R821 PolarHBondContact O-NE 2.97Å; G818-R821 VanDerWaalsContact O-NE 3.16Å
819	T	55.4	Low	75.6	Confident	139 Å²	139	57.6 Å²	57.6	85%	0.853	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-44.8	-168.7	43.7	0	0	0	0	114	G817 R821	G817-T819 VanDerWaalsContact C-N 3.3Å; G817-T819 PolarHBondContact O-N 2.74Å; T819-R821 PolarHBondContact O-N 3.17Å; T819-R821 VanDerWaalsContact O-N 3.15Å
820	D	61.7	Low	75.5	Confident	79 Å²	79	57.5 Å²	57.5	42%	0.422	30%	0.302	S	S	.	.			trans	-84.2	95.2	178.6	-163.3	-14.5	0	0	0	111	T822	D820-T822 VanDerWaalsContact C-N 3.31Å; D820-T822 WeakPolarHBondContact OD1-CB 3.35Å; D820-T822 PolarHBondContact OD1-N 3.07Å; D820-T822 PolarHBondContact OD1-OG1 3.33Å
821	R	73.6	Confident	75.4	Confident	67 Å²	67	58.5 Å²	58.5	25%	0.253	31%	0.307	S	S	.	.			trans	-95.3	19.8	177.9	-64.8	178.9	175.1	-155.6	-14.4	112.5	G818 T819 L828 F829	G818-R821 PolarHBondContact O-NE 2.97Å; G818-R821 VanDerWaalsContact O-NE 3.16Å; T819-R821 PolarHBondContact O-N 3.17Å; T819-R821 VanDerWaalsContact O-N 3.15Å; R821-L828 HydrophobicContact CB-CD2 3.91Å; R821-L828 CarbonylContact O-C 3.59Å; R821-L828 VanDerWaalsContact O-CA 3.27Å; R821-L828 WeakPolarHBondContact O-CA 3.37Å; R821-F829 VanDerWaalsContact CA-CZ 3.48Å; R821-F829 HydrophobicContact CB-CE2 4.3Å; R821-F829 HydrophobicContact CB-CZ 4.27Å; R821-F829 VanDerWaalsContact O-CD1 3.25Å; R821-F829 WeakPolarHBondContact O-CD1 3.28Å; R821-F829 WeakPolarHBondContact O-CE1 3.38Å; R821-F829 WeakPolarHBondContact O-CG 3.33Å; R821-F829 PolarHBondContact O-N 2.8Å
822	T	80.9	Confident	75.2	Confident	48 Å²	48	59.9 Å²	59.9	29%	0.294	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	146.6	-175.4	74.1	0	0	0	0	113.9	D820 R827 L828 F829	D820-T822 VanDerWaalsContact C-N 3.31Å; D820-T822 WeakPolarHBondContact OD1-CB 3.35Å; D820-T822 PolarHBondContact OD1-N 3.07Å; D820-T822 PolarHBondContact OD1-OG1 3.33Å; T822-R827 CarbonylContact C-O 3.58Å; T822-R827 VanDerWaalsContact CA-O 3.28Å; T822-R827 WeakPolarHBondContact CA-O 3.31Å; T822-L828 HydrophobicContact CG2-CD2 4.2Å; T822-F829 WeakPolarHBondContact O-CE1 3.26Å
823	C	80.2	Confident	74.8	Confident	4 Å²	4	63.5 Å²	63.5	3%	0.027	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	168.9	164.4	66.9	0	0	0	0	111.3	R660 E663 H825 G826 R827	R660-C823 HydrophobicContact CB-CB 3.85Å; R660-C823 HydrophobicContact CG-CB 4.11Å; R660-C823 VanDerWaalsContact O-CB 3.22Å; R660-C823 WeakPolarHBondContact O-CB 3.42Å; E663-C823 HydrophobicContact CB-CB 4.49Å; C823-H825 PolarHBondContact O-N 3.47Å; C823-G826 PolarHBondContact O-N 3.26Å; C823-R827 PolarHBondContact N-O 2.91Å; C823-R827 PolarHBondContact SG-O 2.98Å
824	I	79.4	Confident	74.4	Confident	34 Å²	34	64.2 Å²	64.2	17%	0.174	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-19.1	-179.5	72	174.8	0	0	0	115.7	F667 K786 V790	F667-I824 HydrophobicContact CB-CG2 3.42Å; F667-I824 VanDerWaalsContact CB-CG2 3.42Å; F667-I824 HydrophobicContact CD1-CG2 3.67Å; F667-I824 HydrophobicContact CG-CG2 3.6Å; K786-I824 HydrophobicContact CB-CD1 4.02Å; K786-I824 HydrophobicContact CG-CB 4.44Å; K786-I824 HydrophobicContact CG-CD1 4.42Å; K786-I824 VanDerWaalsContact O-CD1 3.31Å; K786-I824 WeakPolarHBondContact O-CD1 3.37Å; V790-I824 HydrophobicContact CG2-CD1 3.41Å; V790-I824 VanDerWaalsContact CG2-CD1 3.41Å; V790-I824 HydrophobicContact CG2-CG1 4.48Å
825	H	76	Confident	74.2	Confident	97 Å²	97	59.5 Å²	59.5	45%	0.449	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	5.5	177.1	-58.1	107.7	0	0	0	114.1	E663 C823 R827	E663-H825 IonicContact OE1-CE1 2.6Å; E663-H825 IonicContact OE2-CE1 2.68Å; E663-H825 PolarHBondContact OE2-CE1 3.03Å; E663-H825 VanDerWaalsContact OE2-CE1 3.27Å; E663-H825 IonicContact OE2-ND1 2.7Å; E663-H825 PolarHBondContact OE2-ND1 3.2Å; C823-H825 PolarHBondContact O-N 3.47Å; H825-R827 HydrophobicContact CB-CG 4.4Å
826	G	73.9	Confident	73.8	Confident	61 Å²	61	57.3 Å²	57.3	63%	0.629	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.9	34.5	-178.8	0	0	0	0	0	114.2	C823	C823-G826 PolarHBondContact O-N 3.26Å
827	R	76.9	Confident	73.3	Confident	91 Å²	91	57.1 Å²	57.1	34%	0.343	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	138.3	-170.1	-59.9	166	177.2	-87.5	10.4	111.4	S435 R436 T822 C823 H825 F829	S435-R827 WeakPolarHBondContact O-CD 3.26Å; R436-R827 VanDerWaalsContact C-CZ 3.48Å; R436-R827 PolarHBondContact O-NH1 2.56Å; R436-R827 PolarHBondContact O-NH2 2.71Å; T822-R827 CarbonylContact C-O 3.58Å; T822-R827 VanDerWaalsContact CA-O 3.28Å; T822-R827 WeakPolarHBondContact CA-O 3.31Å; C823-R827 PolarHBondContact N-O 2.91Å; C823-R827 PolarHBondContact SG-O 2.98Å; H825-R827 HydrophobicContact CB-CG 4.4Å; R827-F829 PolarHBondContact O-N 2.87Å
828	L	78.3	Confident	73	Confident	84 Å²	84	59.1 Å²	59.1	44%	0.44	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	128.7	-179.8	-64.8	174.1	0	0	0	111.9	R660 R821 T822	R660-L828 WeakPolarHBondContact CD-O 3.42Å; R660-L828 PolarHBondContact NH1-O 3.49Å; R821-L828 HydrophobicContact CB-CD2 3.91Å; R821-L828 CarbonylContact O-C 3.59Å; R821-L828 VanDerWaalsContact O-CA 3.27Å; R821-L828 WeakPolarHBondContact O-CA 3.37Å; T822-L828 HydrophobicContact CG2-CD2 4.2Å
829	F	84	Confident	73	Confident	5 Å²	5	60.7 Å²	60.7	2%	0.022	34%	0.341	C	S	.	.	S	Bend	trans	-85.1	-25.5	165.7	52.8	-110.6	0	0	0	112.2	L656 N657 R660 A661 A664 T812 L816 R821 T822 R827	L656-F829 WeakPolarHBondContact CA-O 3.5Å; L656-F829 HydrophobicContact CD1-CD2 4.35Å; N657-F829 PolarHBondContact N-O 3.31Å; R660-F829 HydrophobicContact CB-CB 3.54Å; A661-F829 HydrophobicContact CB-CB 4.14Å; A661-F829 HydrophobicContact CB-CD1 4.38Å; A661-F829 HydrophobicContact CB-CD2 4.02Å; A661-F829 HydrophobicContact CB-CG 3.94Å; A664-F829 HydrophobicContact CB-CD1 4.49Å; A664-F829 HydrophobicContact CB-CE1 4.3Å; T812-F829 HydrophobicContact CG2-CE1 4.45Å; T812-F829 HydrophobicContact CG2-CE2 3.5Å; T812-F829 VanDerWaalsContact CG2-CE2 3.5Å; T812-F829 HydrophobicContact CG2-CZ 3.4Å; L816-F829 HydrophobicContact CD1-CE1 4.21Å; L816-F829 HydrophobicContact CD1-CZ 4.39Å; R821-F829 VanDerWaalsContact CA-CZ 3.48Å; R821-F829 HydrophobicContact CB-CE2 4.3Å; R821-F829 HydrophobicContact CB-CZ 4.27Å; R821-F829 VanDerWaalsContact O-CD1 3.25Å; R821-F829 WeakPolarHBondContact O-CD1 3.28Å; R821-F829 WeakPolarHBondContact O-CE1 3.38Å; R821-F829 WeakPolarHBondContact O-CG 3.33Å; R821-F829 PolarHBondContact O-N 2.8Å; T822-F829 WeakPolarHBondContact O-CE1 3.26Å; R827-F829 PolarHBondContact O-N 2.87Å
830	L	81.8	Confident	72.7	Confident	7 Å²	7	63.1 Å²	63.1	4%	0.037	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	105.3	175	-169	78.8	0	0	0	109.1	L632 I646 M654 L655 L656	L632-L830 HydrophobicContact CD2-CD2 4.42Å; I646-L830 HydrophobicContact CB-CD1 4.36Å; I646-L830 HydrophobicContact CG1-CD1 4.26Å; M654-L830 HydrophobicContact CB-CD1 3.84Å; M654-L830 HydrophobicContact CB-CG 4.02Å; M654-L830 HydrophobicContact CE-CD2 3.93Å; M654-L830 HydrophobicContact CE-CG 3.8Å; M654-L830 HydrophobicContact CG-CD2 4.44Å; M654-L830 HydrophobicContact CG-CG 4.41Å; L655-L830 WeakPolarHBondContact O-CA 3.24Å; L656-L830 HydrophobicContact CB-CD1 3.96Å; L656-L830 HydrophobicContact CD1-CD1 4.17Å
831	Q	79.7	Confident	72	Confident	80 Å²	80	68.7 Å²	68.7	37%	0.374	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	139.3	-177	175.9	168.2	-7.8	0	0	110.8	M654 L655	M654-Q831 CarbonylContact C-O 3.54Å; M654-Q831 VanDerWaalsContact CA-O 3.23Å; M654-Q831 WeakPolarHBondContact CA-O 3.18Å; L655-Q831 PolarHBondContact N-O 2.92Å; L655-Q831 PolarHBondContact O-N 3.02Å
832	H	81.2	Confident	70.6	Confident	83 Å²	83	72 Å²	72	38%	0.384	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	139.2	172.4	-179.1	-108.5	0	0	0	110.8	M654 A834 D835	M654-H832 HydrophobicContact CE-CB 4.05Å; M654-H832 HydrophobicContact SD-CB 3.88Å; H832-A834 VanDerWaalsContact NE2-C 3.33Å; H832-A834 PolarHBondContact NE2-O 3.16Å; H832-D835 IonicContact CD2-OD1 3.53Å; H832-D835 IonicContact CE1-OD1 3.44Å; H832-D835 IonicContact NE2-OD1 2.75Å; H832-D835 PolarHBondContact NE2-OD1 2.6Å
833	L	73.8	Confident	70.1	Confident	83 Å²	83	73.2 Å²	73.2	44%	0.435	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	-54.2	176.1	-65	-177	0	0	0	111.9	L645 L653 L655	L645-L833 HydrophobicContact CD2-CD1 3.64Å; L653-L833 HydrophobicContact CD2-CD1 4.45Å; L653-L833 HydrophobicContact CG-CD1 4.45Å; L653-L833 PolarHBondContact O-N 2.76Å; L655-L833 HydrophobicContact CB-CD1 3.95Å; L655-L833 HydrophobicContact CB-CD2 3.99Å; L655-L833 HydrophobicContact CB-CG 3.92Å; L655-L833 HydrophobicContact CD2-CD2 4.17Å
834	A	72.4	Confident	69.6	Low	47 Å²	47	76.8 Å²	76.8	39%	0.388	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	157.2	-177.1	0	0	0	0	0	109.5	L653 H832	L653-A834 WeakPolarHBondContact CA-O 3.34Å; L653-A834 WeakPolarHBondContact CB-O 3.5Å; L653-A834 PolarHBondContact N-O 2.96Å; L653-A834 PolarHBondContact O-N 2.9Å; H832-A834 VanDerWaalsContact NE2-C 3.33Å; H832-A834 PolarHBondContact NE2-O 3.16Å
835	D	75.7	Confident	69.1	Low	74 Å²	74	79.2 Å²	79.2	40%	0.396	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	134.1	160.7	-75	-3.9	0	0	0	107.8	R651 R652 H832 P837	R651-D835 CarbonylContact O-C 3.6Å; R652-D835 WeakPolarHBondContact CA-OD1 3.44Å; R652-D835 WeakPolarHBondContact CB-OD1 3.39Å; R652-D835 WeakPolarHBondContact CD-OD1 3.37Å; R652-D835 WeakPolarHBondContact CG-OD1 3.16Å; R652-D835 IonicContact CZ-OD2 3.85Å; R652-D835 IonicContact NE-OD1 3.28Å; R652-D835 PolarHBondContact NE-OD1 2.72Å; R652-D835 IonicContact NE-OD2 3.04Å; R652-D835 PolarHBondContact NE-OD2 2.85Å; R652-D835 IonicContact NH2-OD2 3.72Å; H832-D835 IonicContact CD2-OD1 3.53Å; H832-D835 IonicContact CE1-OD1 3.44Å; H832-D835 IonicContact NE2-OD1 2.75Å; H832-D835 PolarHBondContact NE2-OD1 2.6Å; D835-P837 WeakPolarHBondContact O-CD 3.18Å
836	V	68.6	Low	68.7	Low	24 Å²	24	78.1 Å²	78.1	15%	0.145	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-73.8	117.3	-178.2	179.2	0	0	0	0	108.2	L617 L647 R651 L653	L617-V836 HydrophobicContact CD1-CG1 4.09Å; L617-V836 HydrophobicContact CD1-CG2 4.18Å; L647-V836 HydrophobicContact CD1-CG2 4.23Å; R651-V836 WeakPolarHBondContact O-CG2 3.48Å; R651-V836 PolarHBondContact O-N 3.22Å; L653-V836 HydrophobicContact CB-CG2 4.28Å
837	P	63.4	Low	68.3	Low	31 Å²	31	79.2 Å²	79.2	20%	0.201	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-67.6	144.9	-176	15.8	-19.3	0	0	0	112.1	M610 R614 D835 E842	M610-P837 HydrophobicContact CE-CG 3.99Å; R614-P837 PolarHBondContact NH2-O 3.25Å; D835-P837 WeakPolarHBondContact O-CD 3.18Å; P837-E842 HydrophobicContact CB-CB 3.34Å; P837-E842 WeakPolarHBondContact CB-O 3.43Å; P837-E842 WeakPolarHBondContact CB-OXT 3.43Å; P837-E842 WeakPolarHBondContact CG-O 3.33Å; P837-E842 WeakPolarHBondContact CG-OXT 3.21Å
838	S	58.1	Low	67.8	Low	73 Å²	73	78.4 Å²	78.4	51%	0.51	41%	0.411	S	S	.	.	S	Bend	trans	-91.3	-24.7	-168	72.7	0	0	0	0	114.4	E842	S838-E842 VanDerWaalsContact CA-OE2 3.31Å; S838-E842 WeakPolarHBondContact CA-OE2 3.35Å; S838-E842 WeakPolarHBondContact CB-OE2 3.31Å; S838-E842 PolarHBondContact N-OE2 3.05Å; S838-E842 PolarHBondContact OG-OE2 3.42Å
839	T	57.5	Low	67	Low	64 Å²	64	78 Å²	78	39%	0.393	41%	0.409	S	S	.	.	S	Bend	trans	-114.5	175	174.5	78.4	0	0	0	0	111.8	R614 Q841 E842	R614-T839 PolarHBondContact NH1-O 3.07Å; R614-T839 PolarHBondContact NH2-O 2.76Å; T839-Q841 VanDerWaalsContact C-N 3.32Å; T839-Q841 PolarHBondContact OG1-N 2.63Å; T839-E842 PolarHBondContact N-OE2 3.13Å; T839-E842 VanDerWaalsContact O-OXT 3.07Å; T839-E842 PolarHBondContact OG1-N 2.79Å
840	Q	50.1	Low	65.7	Low	189 Å²	189	83.6 Å²	83.6	88%	0.883	44%	0.438	S	S	*	.	S	Bend	trans	-79.4	-10.1	172.1	-77.1	-171.3	-10.1	0	0	114.4
841	Q	46.1	Very low	64.3	Low	197 Å²	197	90 Å²	90	92%	0.921	47%	0.472	S	S	*	.			trans	-94.6	-12.4	175.7	-70.4	177.2	-57.9	0	0	112.7	T839	T839-Q841 VanDerWaalsContact C-N 3.32Å; T839-Q841 PolarHBondContact OG1-N 2.63Å
842	E	45.5	Very low	63	Low	135 Å²	135	90.9 Å²	90.9	63%	0.631	48%	0.481	S	S	*	.			trans	-93.4	0	164.7	-60.4	174.6	138.4	0	0	110.8	R614 P837 S838 T839	R614-E842 PolarHBondContact NH2-OXT 3.43Å; P837-E842 HydrophobicContact CB-CB 3.34Å; P837-E842 WeakPolarHBondContact CB-O 3.43Å; P837-E842 WeakPolarHBondContact CB-OXT 3.43Å; P837-E842 WeakPolarHBondContact CG-O 3.33Å; P837-E842 WeakPolarHBondContact CG-OXT 3.21Å; S838-E842 VanDerWaalsContact CA-OE2 3.31Å; S838-E842 WeakPolarHBondContact CA-OE2 3.35Å; S838-E842 WeakPolarHBondContact CB-OE2 3.31Å; S838-E842 PolarHBondContact N-OE2 3.05Å; S838-E842 PolarHBondContact OG-OE2 3.42Å; T839-E842 PolarHBondContact N-OE2 3.13Å; T839-E842 VanDerWaalsContact O-OXT 3.07Å; T839-E842 PolarHBondContact OG1-N 2.79Å

Retrieved 842 of 842 residues in 1440.7 ms (Link to these results)

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