A0A077Z4R5_TRITR Loading...

Pkinase domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z4R5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,139 aa.

						>A0A077Z4R5_TRITR|A0A077Z4R5
MSPAKALALNTLINDTWLVTREIAAGGFGKVFMVTNVQDQSVAAVKTQSCGKNKKGVSELLWEVYVMAAFESSRHCPRLISYMENESMDMIVMELLGPTIRDIEVKLNWKPIPPGFVALIGRQCLSAVRDLHQCHFIHRDIKPENFAFGMGDKCRRIYLIDFGMTKRYRFKDGRLLPQRKDNGFRGTILYASERAHRREELGAADDLMSLFYVIIEMFTGKLPWYQENDVSKVQQMKADYSLNELTSSVGYRMKQFANYVTSLRYDALPDYWKLDKLLTLIMREHGVQSSLLPFEGCPYIPTVFYTKVSKECSFMVMELLGPSLSMIRKNGHQFSPGVVAMIGKQCLCAVQALHQAGFVHRDIKPANFAVGLGDKIRTIHLIDYGMCKRYRDKDGNMLSNRGEVGFRGTVRYASCKAHLSMDLGRGDDLISFFYMLYELMDNHLPWWQESDVNFIFHMKLTYRLETMGAKLGSQMKILAKHVSSLDFSSEPNYELILQQLTNMMTENSVTEDTPFGWEEMLPASDNRAEKRKPKAEKAKKLGPLEIEEVINHKWCIEEEISAGAFGAVYKALDLIKGNYVAIKASKKQENSKRSHISWEAKVYEQFRGSSHCPKMITYDVNTTPHILVLELLGPSLSYLVKKLKSKALPKGIVAAIIKQCLDAIKDLHNACFIHRDVKPSNFAVGSGTNRSKIYIIDFGLCRKYCHEKEYPFSERFDVGFRGTVRYASTRAHLKKDLCRADDLTSLFYMAYELLAGQLPWKYKSDSNVILNMKLKQPPAIMAEVLDINFKLFAEHLNYTSEPNYEMIDALLVNVMREENVDENTLFGWEHLLKKEDEEEENVNKHILNCKEIEQQSARKAVCTGEEEEEEIGSGGYGTVYKAFDLFNDHYVAVKMELHNRDISNCRLAREVKVYRKMQGNEHFPLLYWEKEIDNKHFIVIELLGPSVDILLKQYKIFTLRTVAMIGYQCVETIRDLHNKGIVHCDIKTSNFAVGVGAKRGTIYMYDFGLCKKFCDSAGRVYPTRKRPQFRGTLTYASVNVQTGHDVSRGDDLRSLFYMIYELLKGALPWSLETSFGGVLRSKIKNDIENMTTDLPIPINQMGHLVFRIRFDEKPDYNALLNMFRAAMIQQGITGRHLFD
					

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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	27.4	Very low	59.8	Low	246 Å²	246	100 Å²	100	100%	1.212	59%	0.586	S	S	*	*				0	149.9	0	-49.2	179.6	-162.6	0	0	106.2
2	S	25.6	Very low	62	Low	84 Å²	84	97.8 Å²	97.8	59%	0.587	57%	0.57	S	S	*	*			cis	-77	-175.8	8.2	62.2	0	0	0	0	114.8
3	P	36	Very low	63.7	Low	111 Å²	111	91.2 Å²	91.2	72%	0.721	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-64.8	166.7	153.4	-17.8	33.1	0	0	0	111.6	K5	P3-K5 PolarHBondContact O-N 2.97Å
4	A	43.2	Very low	64.7	Low	56 Å²	56	93.3 Å²	93.3	46%	0.463	54%	0.539	S	S	.	.	P	Polyproline II helix	trans	-63.5	128.1	165.4	0	0	0	0	0	109	A6	A4-A6 PolarHBondContact O-N 2.87Å
5	K	53.1	Low	65.8	Low	175 Å²	175	95.7 Å²	95.7	76%	0.761	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-77	123.8	175.7	-72.2	-178.1	177.4	178.6	0	108.2	P3	P3-K5 PolarHBondContact O-N 2.97Å
6	A	64.5	Low	67	Low	81 Å²	81	91.6 Å²	91.6	67%	0.669	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-60.8	145.5	167.9	0	0	0	0	0	110	A4 A8	A4-A6 PolarHBondContact O-N 2.87Å; A6-A8 PolarHBondContact O-N 3.39Å
7	L	73.8	Confident	68.3	Low	20 Å²	20	87.5 Å²	87.5	11%	0.105	50%	0.5	C	S	.	.	P	Polyproline II helix	trans	-60.8	120.9	176.8	-173.3	66	0	0	0	109.9	T11 I13 V19 F32 V45 T47 M88 M90	L7-T11 HydrophobicContact CD1-CG2 3.82Å; L7-I13 HydrophobicContact CD1-CG1 4.26Å; L7-I13 HydrophobicContact CD2-CD1 4Å; L7-V19 HydrophobicContact CD1-CG2 4.09Å; L7-V19 HydrophobicContact CD2-CG2 3.75Å; L7-V19 HydrophobicContact CG-CG2 3.9Å; L7-F32 HydrophobicContact CB-CE2 4.06Å; L7-F32 HydrophobicContact CB-CZ 4.22Å; L7-F32 HydrophobicContact CD2-CD2 3.93Å; L7-F32 HydrophobicContact CD2-CE2 4Å; L7-F32 HydrophobicContact CG-CE2 4.43Å; L7-F32 WeakPolarHBondContact O-CZ 3.39Å; L7-V45 HydrophobicContact CD2-CG1 4.4Å; L7-T47 HydrophobicContact CD2-CG2 3.82Å; L7-M88 HydrophobicContact CB-CE 3.95Å; L7-M88 HydrophobicContact CB-SD 4.31Å; L7-M88 HydrophobicContact CD2-CE 4.35Å; L7-M90 HydrophobicContact CD2-SD 4.34Å
8	A	79.1	Confident	69.6	Low	53 Å²	53	85.8 Å²	85.8	44%	0.438	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-93.9	154.4	-176	0	0	0	0	0	111.7	A6 T11	A6-A8 PolarHBondContact O-N 3.39Å; A8-T11 PolarHBondContact N-OG1 2.84Å; A8-T11 VanDerWaalsContact O-CB 3.23Å; A8-T11 WeakPolarHBondContact O-CB 3.35Å; A8-T11 PolarHBondContact O-N 3.4Å; A8-T11 VanDerWaalsContact O-N 3.14Å; A8-T11 PolarHBondContact O-OG1 2.87Å
9	L	84.5	Confident	70.7	Confident	95 Å²	95	81.3 Å²	81.3	50%	0.497	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	146	167.7	-56.8	-176.7	0	0	0	110.2	T11 V19 F32	L9-T11 PolarHBondContact O-N 3.37Å; L9-V19 HydrophobicContact CD2-CG1 4.04Å; L9-F32 HydrophobicContact CD2-CD1 4.24Å
10	N	84.9	Confident	71.6	Confident	127 Å²	127	79.6 Å²	79.6	68%	0.679	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	12.8	-170	-49.4	-44.9	0	0	0	115.3	V19	N10-V19 WeakPolarHBondContact CA-O 3.49Å; N10-V19 PolarHBondContact N-O 2.84Å
11	T	86.4	Confident	72.4	Confident	52 Å²	52	83.6 Å²	83.6	32%	0.319	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-71	137.7	165.2	-50.6	0	0	0	0	109.5	L7 A8 L9 V19	L7-T11 HydrophobicContact CD1-CG2 3.82Å; A8-T11 PolarHBondContact N-OG1 2.84Å; A8-T11 VanDerWaalsContact O-CB 3.23Å; A8-T11 WeakPolarHBondContact O-CB 3.35Å; A8-T11 PolarHBondContact O-N 3.4Å; A8-T11 VanDerWaalsContact O-N 3.14Å; A8-T11 PolarHBondContact O-OG1 2.87Å; L9-T11 PolarHBondContact O-N 3.37Å; T11-V19 WeakPolarHBondContact O-CG2 3.47Å; T11-V19 PolarHBondContact O-N 2.81Å
12	L	85.9	Confident	75.3	Confident	74 Å²	74	75.2 Å²	75.2	39%	0.387	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	125.2	169.7	-174.6	60.6	0	0	0	109.2	D15 L18 V37	L12-D15 HydrophobicContact CD2-CB 4.49Å; L12-L18 HydrophobicContact CD1-CB 4.3Å; L12-V37 HydrophobicContact CD1-CG1 3.61Å
13	I	83.5	Confident	78.1	Confident	11 Å²	11	75 Å²	75	6%	0.056	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	124.9	177.6	-42.8	166	0	0	0	108.8	L7 D15 T16 W17 V19 V34 V45 M83 M90	L7-I13 HydrophobicContact CD1-CG1 4.26Å; L7-I13 HydrophobicContact CD2-CD1 4Å; I13-D15 PolarHBondContact O-N 3.22Å; I13-D15 VanDerWaalsContact O-N 3.15Å; I13-T16 PolarHBondContact O-N 3.22Å; I13-W17 HydrophobicContact CB-CB 4.22Å; I13-W17 HydrophobicContact CD1-CB 4.42Å; I13-W17 PolarHBondContact N-O 2.82Å; I13-W17 PolarHBondContact O-N 2.81Å; I13-V19 HydrophobicContact CD1-CG2 3.76Å; I13-V19 HydrophobicContact CG1-CG2 3.9Å; I13-V34 HydrophobicContact CD1-CG1 4.04Å; I13-V45 HydrophobicContact CD1-CG1 4.08Å; I13-V45 HydrophobicContact CD1-CG2 4.18Å; I13-M83 HydrophobicContact CG2-CE 3.72Å; I13-M83 HydrophobicContact CG2-SD 3.72Å; I13-M90 HydrophobicContact CD1-SD 3.93Å; I13-M90 HydrophobicContact CG1-SD 4.48Å; I13-M90 HydrophobicContact CG2-CE 3.9Å; I13-M90 HydrophobicContact CG2-SD 3.95Å
14	N	77.7	Confident	80.2	Confident	121 Å²	121	72.1 Å²	72.1	65%	0.647	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.9	42.6	175.4	-159	59.3	0	0	0	113.3	T16 M83	N14-T16 WeakPolarHBondContact O-CB 3.31Å; N14-T16 PolarHBondContact O-N 3.22Å; N14-T16 PolarHBondContact O-OG1 2.76Å; N14-M83 HydrophobicContact CB-SD 3.7Å
15	D	81.3	Confident	81.7	Confident	129 Å²	129	72.7 Å²	72.7	69%	0.69	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	14.1	-176.1	-60.6	-42	0	0	0	116.8	L12 I13 V37	L12-D15 HydrophobicContact CD2-CB 4.49Å; I13-D15 PolarHBondContact O-N 3.22Å; I13-D15 VanDerWaalsContact O-N 3.15Å; D15-V37 WeakPolarHBondContact O-CG2 3.36Å
16	T	85	Confident	82.3	Confident	31 Å²	31	67 Å²	67	19%	0.19	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.9	-47.4	-170.8	-52.2	0	0	0	0	112.1	I13 N14 N36 V37	I13-T16 PolarHBondContact O-N 3.22Å; N14-T16 WeakPolarHBondContact O-CB 3.31Å; N14-T16 PolarHBondContact O-N 3.22Å; N14-T16 PolarHBondContact O-OG1 2.76Å; T16-N36 CarbonylContact O-C 3.47Å; T16-N36 WeakPolarHBondContact O-CA 3.34Å; T16-V37 PolarHBondContact O-N 3.43Å
17	W	89	Confident	82.1	Confident	21 Å²	21	67.3 Å²	67.3	8%	0.08	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	105	-167.3	-64.7	102.7	0	0	0	111.8	I13 V34 N36 A43 I80 V92	I13-W17 HydrophobicContact CB-CB 4.22Å; I13-W17 HydrophobicContact CD1-CB 4.42Å; I13-W17 PolarHBondContact N-O 2.82Å; I13-W17 PolarHBondContact O-N 2.81Å; W17-V34 HydrophobicContact CB-CB 4Å; W17-V34 HydrophobicContact CB-CG1 4.1Å; W17-V34 HydrophobicContact CB-CG2 4.35Å; W17-V34 HydrophobicContact CD2-CG2 4.17Å; W17-V34 HydrophobicContact CE3-CB 3.96Å; W17-V34 HydrophobicContact CE3-CG2 3.61Å; W17-V34 HydrophobicContact CG-CG2 4.49Å; W17-V34 HydrophobicContact CZ3-CG2 4.31Å; W17-N36 HydrophobicContact CE3-CB 4.02Å; W17-N36 HydrophobicContact CH2-CB 3.94Å; W17-N36 HydrophobicContact CZ3-CB 3.65Å; W17-A43 HydrophobicContact CE3-CB 4.24Å; W17-A43 HydrophobicContact CH2-CB 3.95Å; W17-A43 HydrophobicContact CZ3-CB 3.59Å; W17-I80 HydrophobicContact CH2-CG2 4.07Å; W17-I80 HydrophobicContact CZ2-CG2 3.57Å; W17-V92 HydrophobicContact CD2-CG1 4.2Å; W17-V92 HydrophobicContact CE3-CG1 4.45Å; W17-V92 HydrophobicContact CH2-CG1 4.42Å; W17-V92 HydrophobicContact CZ2-CG1 4.17Å
18	L	91.6	Very high	81.4	Confident	57 Å²	57	69.4 Å²	69.4	30%	0.298	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	121.3	174.9	-178.6	66.6	0	0	0	110.1	L12 T20 V34 T35 V37	L12-L18 HydrophobicContact CD1-CB 4.3Å; L18-T20 HydrophobicContact CD2-CG2 4.36Å; L18-T20 HydrophobicContact CG-CG2 4.32Å; L18-T20 PolarHBondContact O-N 2.95Å; L18-V34 CarbonylContact O-C 3.5Å; L18-V34 WeakPolarHBondContact O-CA 3.41Å; L18-T35 PolarHBondContact N-O 2.67Å; L18-T35 PolarHBondContact O-N 2.85Å; L18-V37 HydrophobicContact CB-CG1 3.91Å
19	V	90.7	Very high	81.1	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	108.5	176.6	-178.6	0	0	0	0	109.7	L7 L9 N10 T11 I13 F32 V34	L7-V19 HydrophobicContact CD1-CG2 4.09Å; L7-V19 HydrophobicContact CD2-CG2 3.75Å; L7-V19 HydrophobicContact CG-CG2 3.9Å; L9-V19 HydrophobicContact CD2-CG1 4.04Å; N10-V19 WeakPolarHBondContact CA-O 3.49Å; N10-V19 PolarHBondContact N-O 2.84Å; T11-V19 WeakPolarHBondContact O-CG2 3.47Å; T11-V19 PolarHBondContact O-N 2.81Å; I13-V19 HydrophobicContact CD1-CG2 3.76Å; I13-V19 HydrophobicContact CG1-CG2 3.9Å; V19-F32 HydrophobicContact CG1-CB 3.93Å; V19-F32 HydrophobicContact CG1-CD1 3.85Å; V19-F32 HydrophobicContact CG1-CG 4Å; V19-V34 HydrophobicContact CB-CG1 4.46Å; V19-V34 HydrophobicContact CG2-CG1 3.97Å
20	T	88.7	Confident	81.1	Confident	47 Å²	47	67 Å²	67	29%	0.288	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-30	-172.8	49.8	0	0	0	0	114.1	L18 M33 T35	L18-T20 HydrophobicContact CD2-CG2 4.36Å; L18-T20 HydrophobicContact CG-CG2 4.32Å; L18-T20 PolarHBondContact O-N 2.95Å; T20-M33 PolarHBondContact N-O 2.94Å; T20-M33 WeakPolarHBondContact OG1-CE 3.47Å; T20-M33 PolarHBondContact OG1-O 3.04Å; T20-T35 WeakPolarHBondContact CG2-OG1 3.48Å
21	R	89	Confident	81.3	Confident	165 Å²	165	62.6 Å²	62.6	62%	0.623	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-159.2	147.9	-177.5	168.3	172	174.6	177.3	0.5	112	F32 M33	R21-F32 CarbonylContact O-C 3.57Å; R21-F32 VanDerWaalsContact O-CA 3.24Å; R21-F32 WeakPolarHBondContact O-CA 3.44Å; R21-F32 WeakPolarHBondContact O-CB 3.33Å; R21-M33 HydrophobicContact CB-CB 4.19Å; R21-M33 HydrophobicContact CB-CE 4.33Å; R21-M33 PolarHBondContact N-O 3.33Å; R21-M33 PolarHBondContact O-N 3.29Å
22	E	88.2	Confident	81.5	Confident	70 Å²	70	60.2 Å²	60.2	33%	0.327	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	129.5	164.8	-164.2	170.9	134.8	0	0	110.5	K30 F32	E22-K30 IonicContact OE1-NZ 2.68Å; E22-K30 PolarHBondContact OE1-NZ 3.49Å; E22-K30 IonicContact OE2-NZ 3.72Å; E22-K30 PolarHBondContact OE2-NZ 2.96Å; E22-F32 HydrophobicContact CB-CD1 3.8Å; E22-F32 HydrophobicContact CB-CE1 3.94Å; E22-F32 HydrophobicContact CG-CD1 3.93Å; E22-F32 HydrophobicContact CG-CE1 3.84Å
23	I	84.8	Confident	81.8	Confident	80 Å²	80	59.2 Å²	59.2	41%	0.41	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-52.3	179	-62.9	169.3	0	0	0	109.7	V31 M33 A44 L95	I23-V31 HydrophobicContact CB-CG1 4.31Å; I23-V31 HydrophobicContact CD1-CG1 4.27Å; I23-V31 PolarHBondContact N-O 3.07Å; I23-M33 HydrophobicContact CD1-CB 3.85Å; I23-M33 HydrophobicContact CG1-CB 3.99Å; I23-A44 HydrophobicContact CD1-CB 4.18Å; I23-L95 HydrophobicContact CD1-CD1 3.48Å; I23-L95 VanDerWaalsContact CD1-CD1 3.48Å
24	A	79.8	Confident	82.3	Confident	49 Å²	49	58.7 Å²	58.7	41%	0.405	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	159.5	-175	0	0	0	0	0	111.8	V31	A24-V31 HydrophobicContact CB-CB 4.33Å; A24-V31 PolarHBondContact N-O 3.48Å; A24-V31 VanDerWaalsContact N-O 3.13Å; A24-V31 PolarHBondContact O-N 3.3Å
25	A	74.4	Confident	83	Confident	68 Å²	68	54 Å²	54	56%	0.562	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.7	137.2	171.3	0	0	0	0	0	109.6	K30	A25-K30 HydrophobicContact CB-CG 3.91Å
26	G	65.5	Low	83.3	Confident	55 Å²	55	48.5 Å²	48.5	57%	0.567	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.7	179.4	178.6	0	0	0	0	0	111.8	F28 G29	G26-F28 VanDerWaalsContact C-N 3.25Å; G26-F28 PolarHBondContact O-N 2.77Å; G26-G29 PolarHBondContact N-O 2.78Å; G26-G29 PolarHBondContact O-N 2.95Å; G26-G29 VanDerWaalsContact O-N 3.16Å; G26-G29 VanDerWaalsContact O-O 3.06Å
27	G	59.4	Low	83.5	Confident	88 Å²	88	50.1 Å²	50.1	91%	0.907	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-33.1	-175.2	0	0	0	0	0	114.4
28	F	60.5	Low	83.2	Confident	65 Å²	65	56.4 Å²	56.4	29%	0.285	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-12.1	-179.2	-56.2	-66	0	0	0	114.1	G26 E59 M164	G26-F28 VanDerWaalsContact C-N 3.25Å; G26-F28 PolarHBondContact O-N 2.77Å; F28-E59 WeakPolarHBondContact CD1-OE2 3.45Å; F28-M164 HydrophobicContact CE1-SD 4.48Å; F28-M164 HydrophobicContact CE2-CG 4.29Å; F28-M164 HydrophobicContact CZ-CG 4.1Å; F28-M164 HydrophobicContact CZ-SD 3.85Å
29	G	71.5	Confident	83	Confident	20 Å²	20	57.2 Å²	57.2	21%	0.206	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.1	-179	-178.2	0	0	0	0	0	116.5	G26 T47	G26-G29 PolarHBondContact N-O 2.78Å; G26-G29 PolarHBondContact O-N 2.95Å; G26-G29 VanDerWaalsContact O-N 3.16Å; G26-G29 VanDerWaalsContact O-O 3.06Å; G29-T47 CarbonylContact C-O 3.5Å; G29-T47 WeakPolarHBondContact CA-O 3.37Å
30	K	84.7	Confident	82.8	Confident	76 Å²	76	63 Å²	63	33%	0.33	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	144.6	169.6	-78.6	176.2	173.5	-88.9	0	110.9	E22 A25 F32 K46 T47	E22-K30 IonicContact OE1-NZ 2.68Å; E22-K30 PolarHBondContact OE1-NZ 3.49Å; E22-K30 IonicContact OE2-NZ 3.72Å; E22-K30 PolarHBondContact OE2-NZ 2.96Å; A25-K30 HydrophobicContact CB-CG 3.91Å; K30-F32 HydrophobicContact CB-CD2 4.28Å; K30-F32 HydrophobicContact CB-CE2 3.53Å; K30-F32 HydrophobicContact CB-CZ 3.88Å; K30-F32 HydrophobicContact CD-CE2 4.23Å; K30-F32 HydrophobicContact CD-CZ 3.74Å; K30-F32 HydrophobicContact CG-CZ 4.43Å; K30-K46 CarbonylContact O-C 3.59Å; K30-T47 PolarHBondContact N-O 3.44Å; K30-T47 VanDerWaalsContact N-O 3.1Å; K30-T47 PolarHBondContact O-N 2.92Å; K30-T47 PolarHBondContact O-OG1 3.47Å
31	V	88.6	Confident	82.7	Confident	35 Å²	35	63 Å²	63	21%	0.212	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	125.5	174.1	-173.6	0	0	0	0	109	I23 A24 A44 V45 K46	I23-V31 HydrophobicContact CB-CG1 4.31Å; I23-V31 HydrophobicContact CD1-CG1 4.27Å; I23-V31 PolarHBondContact N-O 3.07Å; A24-V31 HydrophobicContact CB-CB 4.33Å; A24-V31 PolarHBondContact N-O 3.48Å; A24-V31 VanDerWaalsContact N-O 3.13Å; A24-V31 PolarHBondContact O-N 3.3Å; V31-A44 HydrophobicContact CG1-CB 4.08Å; V31-V45 CarbonylContact C-O 3.51Å; V31-V45 VanDerWaalsContact CA-O 3.3Å; V31-V45 WeakPolarHBondContact CA-O 3.45Å; V31-K46 HydrophobicContact CG2-CB 4.3Å; V31-K46 HydrophobicContact CG2-CG 4.03Å
32	F	91.2	Very high	82.8	Confident	3 Å²	3	58.8 Å²	58.8	1%	0.013	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	149.7	177.9	-56	-96.5	0	0	0	111.3	L7 L9 V19 R21 E22 K30 A44 V45 T47	L7-F32 HydrophobicContact CB-CE2 4.06Å; L7-F32 HydrophobicContact CB-CZ 4.22Å; L7-F32 HydrophobicContact CD2-CD2 3.93Å; L7-F32 HydrophobicContact CD2-CE2 4Å; L7-F32 HydrophobicContact CG-CE2 4.43Å; L7-F32 WeakPolarHBondContact O-CZ 3.39Å; L9-F32 HydrophobicContact CD2-CD1 4.24Å; V19-F32 HydrophobicContact CG1-CB 3.93Å; V19-F32 HydrophobicContact CG1-CD1 3.85Å; V19-F32 HydrophobicContact CG1-CG 4Å; R21-F32 CarbonylContact O-C 3.57Å; R21-F32 VanDerWaalsContact O-CA 3.24Å; R21-F32 WeakPolarHBondContact O-CA 3.44Å; R21-F32 WeakPolarHBondContact O-CB 3.33Å; E22-F32 HydrophobicContact CB-CD1 3.8Å; E22-F32 HydrophobicContact CB-CE1 3.94Å; E22-F32 HydrophobicContact CG-CD1 3.93Å; E22-F32 HydrophobicContact CG-CE1 3.84Å; K30-F32 HydrophobicContact CB-CD2 4.28Å; K30-F32 HydrophobicContact CB-CE2 3.53Å; K30-F32 HydrophobicContact CB-CZ 3.88Å; K30-F32 HydrophobicContact CD-CE2 4.23Å; K30-F32 HydrophobicContact CD-CZ 3.74Å; K30-F32 HydrophobicContact CG-CZ 4.43Å; F32-A44 CarbonylContact O-C 3.27Å; F32-A44 WeakPolarHBondContact O-CA 3.33Å; F32-V45 HydrophobicContact CB-CG1 3.84Å; F32-V45 HydrophobicContact CD2-CG1 4.38Å; F32-V45 PolarHBondContact N-O 2.78Å; F32-V45 PolarHBondContact O-N 3.43Å; F32-T47 HydrophobicContact CD2-CG2 4.18Å; F32-T47 HydrophobicContact CE2-CG2 4.27Å
33	M	93.1	Very high	83.1	Confident	52 Å²	52	55.4 Å²	55.4	26%	0.256	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	130.5	163	-165.1	173.8	77.4	0	0	108.1	T20 R21 I23 L95	T20-M33 PolarHBondContact N-O 2.94Å; T20-M33 WeakPolarHBondContact OG1-CE 3.47Å; T20-M33 PolarHBondContact OG1-O 3.04Å; R21-M33 HydrophobicContact CB-CB 4.19Å; R21-M33 HydrophobicContact CB-CE 4.33Å; R21-M33 PolarHBondContact N-O 3.33Å; R21-M33 PolarHBondContact O-N 3.29Å; I23-M33 HydrophobicContact CD1-CB 3.85Å; I23-M33 HydrophobicContact CG1-CB 3.99Å; M33-L95 HydrophobicContact CG-CD1 4.37Å; M33-L95 HydrophobicContact CG-CD2 3.92Å; M33-L95 HydrophobicContact SD-CD2 3.9Å
34	V	92.9	Very high	83.5	Confident	0 Å²	0	52 Å²	52	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	149.5	170.9	-77.6	0	0	0	0	110.3	I13 W17 L18 V19 V42 A43 V45 V92	I13-V34 HydrophobicContact CD1-CG1 4.04Å; W17-V34 HydrophobicContact CB-CB 4Å; W17-V34 HydrophobicContact CB-CG1 4.1Å; W17-V34 HydrophobicContact CB-CG2 4.35Å; W17-V34 HydrophobicContact CD2-CG2 4.17Å; W17-V34 HydrophobicContact CE3-CB 3.96Å; W17-V34 HydrophobicContact CE3-CG2 3.61Å; W17-V34 HydrophobicContact CG-CG2 4.49Å; W17-V34 HydrophobicContact CZ3-CG2 4.31Å; L18-V34 CarbonylContact O-C 3.5Å; L18-V34 WeakPolarHBondContact O-CA 3.41Å; V19-V34 HydrophobicContact CB-CG1 4.46Å; V19-V34 HydrophobicContact CG2-CG1 3.97Å; V34-V42 WeakPolarHBondContact O-CA 3.4Å; V34-A43 HydrophobicContact CG2-CB 3.9Å; V34-A43 WeakPolarHBondContact CG2-O 3.48Å; V34-A43 PolarHBondContact N-O 2.88Å; V34-A43 PolarHBondContact O-N 2.8Å; V34-V45 HydrophobicContact CG1-CB 4.17Å; V34-V45 HydrophobicContact CG1-CG1 3.52Å; V34-V45 HydrophobicContact CG2-CB 4.21Å; V34-V45 HydrophobicContact CG2-CG1 4.35Å; V34-V92 HydrophobicContact CG2-CG1 4.19Å
35	T	92.5	Very high	84.1	Confident	22 Å²	22	49.7 Å²	49.7	14%	0.135	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	128.1	172.9	-57.9	0	0	0	0	108.6	L18 T20 V37 S41	L18-T35 PolarHBondContact N-O 2.67Å; L18-T35 PolarHBondContact O-N 2.85Å; T20-T35 WeakPolarHBondContact CG2-OG1 3.48Å; T35-V37 PolarHBondContact O-N 2.77Å; T35-S41 CarbonylContact C-O 3.58Å; T35-S41 WeakPolarHBondContact CA-O 3.15Å
36	N	89.1	Confident	84.8	Confident	15 Å²	15	47.2 Å²	47.2	8%	0.08	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	123.7	173.3	-177.8	-14.4	0	0	0	109	T16 W17 Q38 D39 Q40 S41	T16-N36 CarbonylContact O-C 3.47Å; T16-N36 WeakPolarHBondContact O-CA 3.34Å; W17-N36 HydrophobicContact CE3-CB 4.02Å; W17-N36 HydrophobicContact CH2-CB 3.94Å; W17-N36 HydrophobicContact CZ3-CB 3.65Å; N36-Q38 PolarHBondContact O-N 3.45Å; N36-Q38 WeakPolarHBondContact OD1-CB 3.1Å; N36-Q38 PolarHBondContact OD1-N 3.39Å; N36-D39 WeakPolarHBondContact CB-OD1 3.32Å; N36-D39 PolarHBondContact ND2-OD1 3.03Å; N36-Q40 WeakPolarHBondContact O-CA 3.46Å; N36-Q40 PolarHBondContact O-N 3.36Å; N36-Q40 PolarHBondContact O-NE2 3.03Å; N36-S41 WeakPolarHBondContact CB-OG 3.27Å; N36-S41 PolarHBondContact N-O 2.93Å
37	V	88	Confident	85.8	Confident	64 Å²	64	45.1 Å²	45.1	39%	0.388	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-19.6	-177.9	-59.5	0	0	0	0	113	L12 D15 T16 L18 T35 Q40	L12-V37 HydrophobicContact CD1-CG1 3.61Å; D15-V37 WeakPolarHBondContact O-CG2 3.36Å; T16-V37 PolarHBondContact O-N 3.43Å; L18-V37 HydrophobicContact CB-CG1 3.91Å; T35-V37 PolarHBondContact O-N 2.77Å; V37-Q40 PolarHBondContact O-NE2 3.38Å
38	Q	83	Confident	86.7	Confident	154 Å²	154	42.4 Å²	42.4	72%	0.72	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-48.7	-176.1	-53.3	-174.2	4.9	0	0	112.9	N36	N36-Q38 PolarHBondContact O-N 3.45Å; N36-Q38 WeakPolarHBondContact OD1-CB 3.1Å; N36-Q38 PolarHBondContact OD1-N 3.39Å
39	D	87.2	Confident	87.1	Confident	73 Å²	73	43 Å²	43	39%	0.39	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	5.8	-173.8	75.2	-2	0	0	0	114.3	N36 S41	N36-D39 WeakPolarHBondContact CB-OD1 3.32Å; N36-D39 PolarHBondContact ND2-OD1 3.03Å; D39-S41 PolarHBondContact O-N 2.76Å; D39-S41 WeakPolarHBondContact OD1-CB 3.43Å; D39-S41 PolarHBondContact OD1-N 3.15Å; D39-S41 PolarHBondContact OD1-OG 2.73Å; D39-S41 PolarHBondContact OD2-OG 2.91Å
40	Q	86	Confident	86.7	Confident	123 Å²	123	43.3 Å²	43.3	58%	0.575	24%	0.236	S	C	*	.			trans	58.4	9.8	-178.9	-55.4	-63	-76.3	0	0	115.5	N36 V37	N36-Q40 WeakPolarHBondContact O-CA 3.46Å; N36-Q40 PolarHBondContact O-N 3.36Å; N36-Q40 PolarHBondContact O-NE2 3.03Å; V37-Q40 PolarHBondContact O-NE2 3.38Å
41	S	87.6	Confident	85.3	Confident	46 Å²	46	42 Å²	42	32%	0.322	25%	0.245	S	C	.	.			trans	-62.2	150.9	174	64.1	0	0	0	0	111.4	T35 N36 D39	T35-S41 CarbonylContact C-O 3.58Å; T35-S41 WeakPolarHBondContact CA-O 3.15Å; N36-S41 WeakPolarHBondContact CB-OG 3.27Å; N36-S41 PolarHBondContact N-O 2.93Å; D39-S41 PolarHBondContact O-N 2.76Å; D39-S41 WeakPolarHBondContact OD1-CB 3.43Å; D39-S41 PolarHBondContact OD1-N 3.15Å; D39-S41 PolarHBondContact OD1-OG 2.73Å; D39-S41 PolarHBondContact OD2-OG 2.91Å
42	V	91.7	Very high	83.2	Confident	76 Å²	76	50 Å²	50	46%	0.461	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	136.8	-177.6	-69.1	0	0	0	0	111.6	V34 L95	V34-V42 WeakPolarHBondContact O-CA 3.4Å; V42-L95 HydrophobicContact CB-CD2 3.89Å; V42-L95 HydrophobicContact CG2-CD2 3.75Å
43	A	93.1	Very high	81	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	168.1	-179.6	0	0	0	0	0	110.6	W17 V34 I80 V92 M93	W17-A43 HydrophobicContact CE3-CB 4.24Å; W17-A43 HydrophobicContact CH2-CB 3.95Å; W17-A43 HydrophobicContact CZ3-CB 3.59Å; V34-A43 HydrophobicContact CG2-CB 3.9Å; V34-A43 WeakPolarHBondContact CG2-O 3.48Å; V34-A43 PolarHBondContact N-O 2.88Å; V34-A43 PolarHBondContact O-N 2.8Å; A43-I80 HydrophobicContact CB-CD1 3.73Å; A43-V92 HydrophobicContact CB-CG1 3.57Å; A43-M93 WeakPolarHBondContact CB-O 3.28Å
44	A	93.6	Very high	78.8	Confident	9 Å²	9	56.2 Å²	56.2	7%	0.074	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	135.2	168.5	0	0	0	0	0	109.4	I23 V31 F32 V92 M93 L95	I23-A44 HydrophobicContact CD1-CB 4.18Å; V31-A44 HydrophobicContact CG1-CB 4.08Å; F32-A44 CarbonylContact O-C 3.27Å; F32-A44 WeakPolarHBondContact O-CA 3.33Å; A44-V92 CarbonylContact O-C 3.59Å; A44-V92 WeakPolarHBondContact O-CA 3.2Å; A44-M93 HydrophobicContact CB-CG 4.16Å; A44-M93 PolarHBondContact N-O 3.46Å; A44-M93 PolarHBondContact O-N 3.5Å; A44-L95 HydrophobicContact CB-CD1 4.13Å
45	V	91.8	Very high	76.5	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	116.8	169.6	66.3	0	0	0	0	110.2	L7 I13 V31 F32 V34 T47 M90 I91 V92	L7-V45 HydrophobicContact CD2-CG1 4.4Å; I13-V45 HydrophobicContact CD1-CG1 4.08Å; I13-V45 HydrophobicContact CD1-CG2 4.18Å; V31-V45 CarbonylContact C-O 3.51Å; V31-V45 VanDerWaalsContact CA-O 3.3Å; V31-V45 WeakPolarHBondContact CA-O 3.45Å; F32-V45 HydrophobicContact CB-CG1 3.84Å; F32-V45 HydrophobicContact CD2-CG1 4.38Å; F32-V45 PolarHBondContact N-O 2.78Å; F32-V45 PolarHBondContact O-N 3.43Å; V34-V45 HydrophobicContact CG1-CB 4.17Å; V34-V45 HydrophobicContact CG1-CG1 3.52Å; V34-V45 HydrophobicContact CG2-CB 4.21Å; V34-V45 HydrophobicContact CG2-CG1 4.35Å; V45-T47 HydrophobicContact CG1-CG2 4.43Å; V45-T47 HydrophobicContact CG2-CG2 4.05Å; V45-M90 HydrophobicContact CG2-CB 4.01Å; V45-M90 HydrophobicContact CG2-SD 4.17Å; V45-I91 CarbonylContact C-O 3.31Å; V45-I91 VanDerWaalsContact CA-O 3.22Å; V45-I91 WeakPolarHBondContact CA-O 3.42Å; V45-I91 WeakPolarHBondContact CG2-O 3.34Å; V45-V92 HydrophobicContact CB-CG2 4.15Å; V45-V92 HydrophobicContact CG2-CG2 3.89Å
46	K	90.3	Very high	74.5	Confident	16 Å²	16	63.9 Å²	63.9	7%	0.07	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	138.3	170.3	-168.1	178.2	-168	-166.2	0	108.7	K30 V31 L60 E63 M90 I91 M93 D161	K30-K46 CarbonylContact O-C 3.59Å; V31-K46 HydrophobicContact CG2-CB 4.3Å; V31-K46 HydrophobicContact CG2-CG 4.03Å; K46-L60 HydrophobicContact CB-CD2 4.39Å; K46-L60 HydrophobicContact CD-CD2 3.62Å; K46-L60 HydrophobicContact CG-CD2 3.76Å; K46-E63 IonicContact NZ-OE1 3.56Å; K46-E63 PolarHBondContact NZ-OE1 2.9Å; K46-E63 IonicContact NZ-OE2 2.7Å; K46-E63 PolarHBondContact NZ-OE2 3.39Å; K46-M90 CarbonylContact O-C 3.08Å; K46-M90 VanDerWaalsContact O-CA 3.27Å; K46-M90 WeakPolarHBondContact O-CA 3.5Å; K46-I91 PolarHBondContact N-O 2.66Å; K46-I91 PolarHBondContact O-N 3.04Å; K46-M93 HydrophobicContact CB-CE 4.05Å; K46-D161 IonicContact NZ-OD1 3.66Å; K46-D161 PolarHBondContact NZ-OD1 3.49Å
47	T	86.7	Confident	72.8	Confident	10 Å²	10	64.6 Å²	64.6	6%	0.061	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	135.2	-169.7	63.7	0	0	0	0	112.3	L7 G29 K30 F32 V45 M88 M90	L7-T47 HydrophobicContact CD2-CG2 3.82Å; G29-T47 CarbonylContact C-O 3.5Å; G29-T47 WeakPolarHBondContact CA-O 3.37Å; K30-T47 PolarHBondContact N-O 3.44Å; K30-T47 VanDerWaalsContact N-O 3.1Å; K30-T47 PolarHBondContact O-N 2.92Å; K30-T47 PolarHBondContact O-OG1 3.47Å; F32-T47 HydrophobicContact CD2-CG2 4.18Å; F32-T47 HydrophobicContact CE2-CG2 4.27Å; V45-T47 HydrophobicContact CG1-CG2 4.43Å; V45-T47 HydrophobicContact CG2-CG2 4.05Å; T47-M88 HydrophobicContact CG2-CE 3.68Å; T47-M90 HydrophobicContact CG2-CG 3.99Å; T47-M90 HydrophobicContact CG2-SD 4.09Å
48	Q	77.9	Confident	71.7	Confident	31 Å²	31	61.7 Å²	61.7	15%	0.145	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	129.6	179.9	-179.9	168.1	55.7	0	0	109.8	S58 E59 L60 M88 D89	Q48-S58 PolarHBondContact OE1-OG 2.94Å; Q48-E59 PolarHBondContact NE2-OE2 2.8Å; Q48-L60 HydrophobicContact CB-CD1 3.48Å; Q48-L60 VanDerWaalsContact CB-CD1 3.48Å; Q48-L60 HydrophobicContact CB-CD2 4.46Å; Q48-L60 HydrophobicContact CB-CG 3.67Å; Q48-M88 CarbonylContact O-C 3.43Å; Q48-M88 WeakPolarHBondContact O-CA 3.36Å; Q48-M88 VanDerWaalsContact O-CB 3.29Å; Q48-M88 WeakPolarHBondContact O-CB 3.3Å; Q48-D89 PolarHBondContact N-O 2.92Å; Q48-D89 PolarHBondContact O-N 2.77Å
49	S	69.7	Low	71.2	Confident	79 Å²	79	58.3 Å²	58.3	55%	0.552	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	133.6	178.2	-168.3	0	0	0	0	110.4	G51	S49-G51 VanDerWaalsContact C-N 3.34Å; S49-G51 PolarHBondContact O-N 3.45Å
50	C	61.8	Low	70.9	Confident	26 Å²	26	54.9 Å²	54.9	18%	0.176	30%	0.3	C	S	.	.			trans	-68.2	90.4	171.1	-69	0	0	0	0	109.9	K54 S87 M88	C50-K54 PolarHBondContact SG-NZ 3.2Å; C50-S87 WeakPolarHBondContact CB-O 3.11Å; C50-S87 PolarHBondContact N-O 2.93Å; C50-M88 VanDerWaalsContact SG-CA 3.54Å; C50-M88 PolarHBondContact SG-N 3.42Å; C50-M88 VanDerWaalsContact SG-N 3.43Å
51	G	54.7	Low	70.4	Confident	49 Å²	49	49.9 Å²	49.9	51%	0.505	28%	0.278	S	S	.	.			trans	-56.8	140.1	170.2	0	0	0	0	0	110.5	S49 N53	S49-G51 VanDerWaalsContact C-N 3.34Å; S49-G51 PolarHBondContact O-N 3.45Å; G51-N53 PolarHBondContact O-N 2.93Å
52	K	45.3	Very low	70	Confident	201 Å²	201	49.9 Å²	49.9	87%	0.874	27%	0.27	S	S	*	.	S	Bend	trans	-62.7	-11.8	-172.2	-68.7	-172.8	176.6	-179.8	0	115.2
53	N	44.7	Very low	69.8	Low	126 Å²	126	46.4 Å²	46.4	67%	0.674	25%	0.249	S	C	*	.			trans	-116.4	62.2	-177	-54	9.6	0	0	0	108.9	G51 K55	G51-N53 PolarHBondContact O-N 2.93Å; N53-K55 PolarHBondContact O-N 3.29Å
54	K	47	Very low	69.5	Low	60 Å²	60	47.5 Å²	47.5	26%	0.261	26%	0.256	S	S	.	.			trans	-70.8	68.7	-177.1	-122.3	-179.1	175.1	175.4	0	110.5	C50 G56 E84 D89 I932	C50-K54 PolarHBondContact SG-NZ 3.2Å; K54-G56 PolarHBondContact O-N 3.44Å; K54-E84 IonicContact NZ-OE1 3.21Å; K54-E84 PolarHBondContact NZ-OE1 2.77Å; K54-D89 VanDerWaalsContact CE-OD2 3.26Å; K54-D89 WeakPolarHBondContact CE-OD2 3.48Å; K54-D89 IonicContact NZ-OD1 3.71Å; K54-D89 PolarHBondContact NZ-OD1 3.45Å; K54-D89 IonicContact NZ-OD2 2.69Å; K54-D89 PolarHBondContact NZ-OD2 2.9Å; K54-I932 WeakPolarHBondContact O-CG2 3.35Å
55	K	44.7	Very low	68.9	Low	156 Å²	156	48.4 Å²	48.4	68%	0.678	26%	0.257	S	S	*	.			trans	-73.8	10.6	178.1	-86.5	-157	177.8	-172.7	0	115.2	N53 D933	N53-K55 PolarHBondContact O-N 3.29Å; K55-D933 WeakPolarHBondContact CE-OD2 3.47Å; K55-D933 WeakPolarHBondContact CG-OD2 3.35Å
56	G	51.1	Low	68.6	Low	27 Å²	27	48.4 Å²	48.4	28%	0.278	26%	0.257	S	S	.	.	S	Bend	trans	-162.1	-174.8	-175.6	0	0	0	0	0	113.4	K54	K54-G56 PolarHBondContact O-N 3.44Å
57	V	52.8	Low	68.7	Low	31 Å²	31	47.8 Å²	47.8	19%	0.188	26%	0.255	C	S	.	.			trans	-64	152.6	168.9	-176.4	0	0	0	0	108.8	L61 K859 V861	V57-L61 HydrophobicContact CG1-CB 4.09Å; V57-L61 HydrophobicContact CG1-CD2 4.21Å; V57-L61 HydrophobicContact CG1-CG 4.28Å; V57-K859 HydrophobicContact CG2-CB 4.25Å; V57-K859 HydrophobicContact CG2-CD 4.38Å; V57-V861 HydrophobicContact CG2-CB 4.24Å; V57-V861 HydrophobicContact CG2-CG1 3.69Å; V57-V861 HydrophobicContact CG2-CG2 3.72Å
58	S	65.2	Low	68.6	Low	3 Å²	3	49.9 Å²	49.9	2%	0.021	27%	0.273	C	S	.	.			trans	-67	133.2	170.4	-178.4	0	0	0	0	108.4	Q48 L60 L61 W62 D89	Q48-S58 PolarHBondContact OE1-OG 2.94Å; S58-L60 PolarHBondContact O-N 2.84Å; S58-L61 PolarHBondContact O-N 3.42Å; S58-W62 PolarHBondContact O-N 2.61Å; S58-W62 VanDerWaalsContact O-N 3.09Å; S58-D89 WeakPolarHBondContact CB-OD2 3.45Å; S58-D89 WeakPolarHBondContact OG-CB 3.26Å; S58-D89 VanDerWaalsContact OG-CG 3.29Å; S58-D89 PolarHBondContact OG-OD2 3.45Å
59	E	72.8	Confident	68.9	Low	82 Å²	82	50.2 Å²	50.2	38%	0.383	28%	0.281	S	S	.	.	H	α-helix	trans	-61.6	-34.2	179.5	-63.8	170.7	154.2	0	0	109.5	F28 Q48 L61 W62 E63	F28-E59 WeakPolarHBondContact CD1-OE2 3.45Å; Q48-E59 PolarHBondContact NE2-OE2 2.8Å; E59-L61 PolarHBondContact O-N 2.89Å; E59-W62 WeakPolarHBondContact O-CB 3.2Å; E59-W62 PolarHBondContact O-N 2.8Å; E59-E63 WeakPolarHBondContact O-CG 3.33Å; E59-E63 PolarHBondContact O-N 3.22Å
60	L	79.9	Confident	69.9	Low	1 Å²	1	46.4 Å²	46.4	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-63.2	-36.6	170.4	-65.1	-171.1	0	0	0	114.3	K46 Q48 S58 W62 E63 V64 D89 I91	K46-L60 HydrophobicContact CB-CD2 4.39Å; K46-L60 HydrophobicContact CD-CD2 3.62Å; K46-L60 HydrophobicContact CG-CD2 3.76Å; Q48-L60 HydrophobicContact CB-CD1 3.48Å; Q48-L60 VanDerWaalsContact CB-CD1 3.48Å; Q48-L60 HydrophobicContact CB-CD2 4.46Å; Q48-L60 HydrophobicContact CB-CG 3.67Å; S58-L60 PolarHBondContact O-N 2.84Å; L60-W62 VanDerWaalsContact C-N 3.29Å; L60-W62 PolarHBondContact O-N 3.37Å; L60-E63 WeakPolarHBondContact CD2-OE1 3.4Å; L60-E63 WeakPolarHBondContact O-CB 3.47Å; L60-E63 PolarHBondContact O-N 3.24Å; L60-V64 WeakPolarHBondContact O-CG2 3.48Å; L60-V64 PolarHBondContact O-N 3.21Å; L60-D89 HydrophobicContact CD1-CB 4.16Å; L60-D89 VanDerWaalsContact CD1-O 3.25Å; L60-D89 WeakPolarHBondContact CD1-O 3.21Å; L60-I91 HydrophobicContact CB-CD1 3.89Å; L60-I91 HydrophobicContact CB-CG1 3.86Å; L60-I91 HydrophobicContact CD1-CG1 4.3Å; L60-I91 HydrophobicContact CD2-CD1 3.82Å; L60-I91 HydrophobicContact CD2-CG1 4.18Å; L60-I91 HydrophobicContact CG-CD1 4.35Å; L60-I91 HydrophobicContact CG-CG1 4.34Å; L60-I91 VanDerWaalsContact O-CD1 3.31Å; L60-I91 WeakPolarHBondContact O-CD1 3.25Å
61	L	75.6	Confident	71.2	Confident	19 Å²	19	50.3 Å²	50.3	10%	0.099	27%	0.27	C	S	.	.	H	α-helix	trans	-71.1	-29	177.1	-176.4	58.1	0	0	0	111.4	V57 S58 E59 Y65 Y82 K859 F886	V57-L61 HydrophobicContact CG1-CB 4.09Å; V57-L61 HydrophobicContact CG1-CD2 4.21Å; V57-L61 HydrophobicContact CG1-CG 4.28Å; S58-L61 PolarHBondContact O-N 3.42Å; E59-L61 PolarHBondContact O-N 2.89Å; L61-Y65 PolarHBondContact O-N 3Å; L61-Y82 HydrophobicContact CB-CE2 4.18Å; L61-Y82 HydrophobicContact CD1-CD1 4.39Å; L61-Y82 HydrophobicContact CD1-CE1 4.09Å; L61-Y82 HydrophobicContact CD1-CE2 4.22Å; L61-K859 HydrophobicContact CD2-CD 4.29Å; L61-F886 HydrophobicContact CG-CZ 4.47Å
62	W	80.3	Confident	72.5	Confident	46 Å²	46	53.5 Å²	53.5	17%	0.174	29%	0.285	C	S	.	.	H	α-helix	trans	-70	-39.2	169.3	-176.3	-114.9	0	0	0	111.9	S58 E59 L60 V64 Y65 V66 F136 T165 L885	S58-W62 PolarHBondContact O-N 2.61Å; S58-W62 VanDerWaalsContact O-N 3.09Å; E59-W62 WeakPolarHBondContact O-CB 3.2Å; E59-W62 PolarHBondContact O-N 2.8Å; L60-W62 VanDerWaalsContact C-N 3.29Å; L60-W62 PolarHBondContact O-N 3.37Å; W62-V64 PolarHBondContact O-N 3.02Å; W62-Y65 AromaticContact CE3-CD1 3.96Å; W62-Y65 HydrophobicContact CE3-CD1 3.96Å; W62-Y65 HydrophobicContact CH2-CD1 4.11Å; W62-Y65 HydrophobicContact CH2-CE1 4.28Å; W62-Y65 AromaticContact CZ3-CD1 3.58Å; W62-Y65 HydrophobicContact CZ3-CD1 3.58Å; W62-Y65 AromaticContact CZ3-CE1 3.98Å; W62-Y65 HydrophobicContact CZ3-CE1 3.98Å; W62-Y65 WeakPolarHBondContact O-CB 3.42Å; W62-Y65 PolarHBondContact O-N 3.4Å; W62-V66 WeakPolarHBondContact O-CG2 3.43Å; W62-V66 PolarHBondContact O-N 3.09Å; W62-F136 HydrophobicContact CH2-CE1 4.12Å; W62-F136 HydrophobicContact CZ2-CD1 4.49Å; W62-F136 HydrophobicContact CZ2-CE1 4.09Å; W62-T165 PolarHBondContact NE1-O 3.38Å; W62-L885 HydrophobicContact CZ3-CD1 4.34Å
63	E	87.8	Confident	74.7	Confident	3 Å²	3	44.3 Å²	44.3	1%	0.014	25%	0.246	C	C	.	.	H	α-helix	trans	-60.6	-42.4	171.9	-69.4	-173.9	-109.4	0	0	112.6	K46 E59 L60 Y65 V66 M67 I91 F162 G163	K46-E63 IonicContact NZ-OE1 3.56Å; K46-E63 PolarHBondContact NZ-OE1 2.9Å; K46-E63 IonicContact NZ-OE2 2.7Å; K46-E63 PolarHBondContact NZ-OE2 3.39Å; E59-E63 WeakPolarHBondContact O-CG 3.33Å; E59-E63 PolarHBondContact O-N 3.22Å; L60-E63 WeakPolarHBondContact CD2-OE1 3.4Å; L60-E63 WeakPolarHBondContact O-CB 3.47Å; L60-E63 PolarHBondContact O-N 3.24Å; E63-Y65 VanDerWaalsContact C-N 3.31Å; E63-Y65 PolarHBondContact O-N 3.14Å; E63-V66 PolarHBondContact O-N 3.1Å; E63-M67 WeakPolarHBondContact O-CB 3.29Å; E63-M67 VanDerWaalsContact O-CG 3.28Å; E63-M67 WeakPolarHBondContact O-CG 3.5Å; E63-M67 PolarHBondContact O-N 3.44Å; E63-I91 HydrophobicContact CB-CD1 3.76Å; E63-F162 HydrophobicContact CB-CB 4.29Å; E63-F162 HydrophobicContact CG-CB 3.89Å; E63-F162 PolarHBondContact OE2-N 3.38Å; E63-F162 VanDerWaalsContact OE2-N 3.12Å; E63-G163 VanDerWaalsContact CG-N 3.3Å
64	V	85.9	Confident	76.9	Confident	22 Å²	22	45.2 Å²	45.2	13%	0.133	24%	0.24	C	C	.	.	H	α-helix	trans	-56.4	-45.5	173.7	167.4	0	0	0	0	111.4	L60 W62 M67 A68 L79 Y82 I91	L60-V64 WeakPolarHBondContact O-CG2 3.48Å; L60-V64 PolarHBondContact O-N 3.21Å; W62-V64 PolarHBondContact O-N 3.02Å; V64-M67 PolarHBondContact O-N 3.06Å; V64-A68 WeakPolarHBondContact O-CB 3.1Å; V64-A68 PolarHBondContact O-N 3.26Å; V64-L79 HydrophobicContact CG1-CD2 4.03Å; V64-L79 HydrophobicContact CG2-CD1 4.44Å; V64-Y82 HydrophobicContact CG2-CD2 3.73Å; V64-Y82 HydrophobicContact CG2-CG 4.15Å; V64-I91 HydrophobicContact CG2-CD1 3.96Å; V64-I91 HydrophobicContact CG2-CG1 3.87Å; V64-I91 HydrophobicContact CG2-CG2 3.94Å
65	Y	80.5	Confident	79.2	Confident	28 Å²	28	42.5 Å²	42.5	11%	0.11	23%	0.228	C	C	.	.	H	α-helix	trans	-63.2	-42	178.4	-177.9	-111.7	0	0	0	112.8	L61 W62 E63 A69 F136 R167 L885 F886	L61-Y65 PolarHBondContact O-N 3Å; W62-Y65 AromaticContact CE3-CD1 3.96Å; W62-Y65 HydrophobicContact CE3-CD1 3.96Å; W62-Y65 HydrophobicContact CH2-CD1 4.11Å; W62-Y65 HydrophobicContact CH2-CE1 4.28Å; W62-Y65 AromaticContact CZ3-CD1 3.58Å; W62-Y65 HydrophobicContact CZ3-CD1 3.58Å; W62-Y65 AromaticContact CZ3-CE1 3.98Å; W62-Y65 HydrophobicContact CZ3-CE1 3.98Å; W62-Y65 WeakPolarHBondContact O-CB 3.42Å; W62-Y65 PolarHBondContact O-N 3.4Å; E63-Y65 VanDerWaalsContact C-N 3.31Å; E63-Y65 PolarHBondContact O-N 3.14Å; Y65-A69 WeakPolarHBondContact O-CB 3.26Å; Y65-A69 PolarHBondContact O-N 3.39Å; Y65-A69 VanDerWaalsContact O-N 3.12Å; Y65-F136 HydrophobicContact CD1-CE1 4.24Å; Y65-F136 HydrophobicContact CD1-CZ 4.01Å; Y65-F136 HydrophobicContact CE1-CE1 4.04Å; Y65-F136 AromaticContact CE1-CZ 3.61Å; Y65-F136 HydrophobicContact CE1-CZ 3.61Å; Y65-R167 VanDerWaalsContact OH-CZ 3.25Å; Y65-R167 PolarHBondContact OH-NH1 3.44Å; Y65-R167 PolarHBondContact OH-NH2 3.05Å; Y65-L885 PolarHBondContact OH-O 2.86Å; Y65-F886 AromaticContact CD2-CD1 3.48Å; Y65-F886 HydrophobicContact CD2-CD1 3.48Å; Y65-F886 VanDerWaalsContact CD2-CD1 3.48Å; Y65-F886 AromaticContact CD2-CE1 3.95Å; Y65-F886 HydrophobicContact CD2-CE1 3.95Å; Y65-F886 HydrophobicContact CD2-CG 4.36Å; Y65-F886 HydrophobicContact CE2-CB 4.41Å; Y65-F886 AromaticContact CE2-CD1 3.97Å; Y65-F886 HydrophobicContact CE2-CD1 3.97Å; Y65-F886 HydrophobicContact CE2-CG 4.44Å; Y65-F886 HydrophobicContact CG-CD1 4.06Å; Y65-F886 HydrophobicContact CG-CE1 4.07Å
66	V	87	Confident	81.6	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-67.1	-44	176.1	174.1	0	0	0	0	111.1	W62 E63 A69 F70 L131 F136 F162 T165	W62-V66 WeakPolarHBondContact O-CG2 3.43Å; W62-V66 PolarHBondContact O-N 3.09Å; E63-V66 PolarHBondContact O-N 3.1Å; V66-A69 PolarHBondContact O-N 3.16Å; V66-F70 WeakPolarHBondContact O-CB 3.26Å; V66-F70 PolarHBondContact O-N 3.46Å; V66-L131 HydrophobicContact CG1-CD1 3.83Å; V66-F136 HydrophobicContact CG2-CD1 4.02Å; V66-F136 HydrophobicContact CG2-CE1 3.95Å; V66-F162 HydrophobicContact CB-CB 4.08Å; V66-F162 HydrophobicContact CB-CG 4.34Å; V66-F162 HydrophobicContact CG1-CB 3.86Å; V66-F162 HydrophobicContact CG1-CD1 3.54Å; V66-F162 HydrophobicContact CG1-CE1 4.22Å; V66-F162 HydrophobicContact CG1-CG 3.72Å; V66-T165 HydrophobicContact CB-CG2 4.48Å; V66-T165 HydrophobicContact CG1-CG2 3.89Å; V66-T165 HydrophobicContact CG2-CG2 3.7Å
67	M	91.1	Very high	83.7	Confident	3 Å²	3	34.3 Å²	34.3	2%	0.015	19%	0.186	C	C	.	.	H	α-helix	trans	-61.4	-46.5	178.1	-74	179.7	71.4	0	0	111.6	E63 V64 A69 F70 E71 P77 L79 M93 F162	E63-M67 WeakPolarHBondContact O-CB 3.29Å; E63-M67 VanDerWaalsContact O-CG 3.28Å; E63-M67 WeakPolarHBondContact O-CG 3.5Å; E63-M67 PolarHBondContact O-N 3.44Å; V64-M67 PolarHBondContact O-N 3.06Å; M67-A69 VanDerWaalsContact C-N 3.3Å; M67-A69 PolarHBondContact O-N 3.08Å; M67-F70 CarbonylContact O-C 3.48Å; M67-F70 PolarHBondContact O-N 3.07Å; M67-E71 PolarHBondContact O-N 3.42Å; M67-P77 HydrophobicContact CE-CB 4.16Å; M67-P77 HydrophobicContact CE-CG 4.42Å; M67-P77 VanDerWaalsContact CE-O 3.24Å; M67-P77 WeakPolarHBondContact CE-O 3.42Å; M67-L79 HydrophobicContact CE-CB 4.34Å; M67-L79 HydrophobicContact CE-CD1 4.46Å; M67-M93 HydrophobicContact CE-CB 4.01Å; M67-M93 HydrophobicContact CE-CE 4.42Å; M67-M93 HydrophobicContact CE-SD 4.42Å; M67-M93 HydrophobicContact SD-CE 4.12Å; M67-F162 HydrophobicContact CG-CD2 3.54Å; M67-F162 HydrophobicContact CG-CE2 3.58Å; M67-F162 HydrophobicContact SD-CD2 4.27Å; M67-F162 HydrophobicContact SD-CE2 4.37Å
68	A	85.1	Confident	85.5	Confident	55 Å²	55	39.4 Å²	39.4	46%	0.455	20%	0.202	S	C	.	.	H	α-helix	trans	-60.8	-38.5	175.8	0	0	0	0	0	112.2	V64 F70	V64-A68 WeakPolarHBondContact O-CB 3.1Å; V64-A68 PolarHBondContact O-N 3.26Å; A68-F70 VanDerWaalsContact C-N 3.32Å; A68-F70 PolarHBondContact O-N 3.38Å
69	A	83.3	Confident	86.6	Confident	37 Å²	37	41.1 Å²	41.1	31%	0.306	21%	0.211	S	C	.	.	H	α-helix	trans	-72.3	-23.5	174.8	0	0	0	0	0	113.7	Y65 V66 M67 C134 F136	Y65-A69 WeakPolarHBondContact O-CB 3.26Å; Y65-A69 PolarHBondContact O-N 3.39Å; Y65-A69 VanDerWaalsContact O-N 3.12Å; V66-A69 PolarHBondContact O-N 3.16Å; M67-A69 VanDerWaalsContact C-N 3.3Å; M67-A69 PolarHBondContact O-N 3.08Å; A69-C134 PolarHBondContact O-SG 2.92Å; A69-F136 HydrophobicContact CB-CD2 4.41Å; A69-F136 HydrophobicContact CB-CE2 3.54Å; A69-F136 HydrophobicContact CB-CZ 4.16Å
70	F	90.5	Very high	87.4	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-98.1	-9.7	-176.5	-175.7	-133.5	0	0	0	113.6	V66 M67 A68 S72 S73 H75 C76 D130 L131 L159 F162	V66-F70 WeakPolarHBondContact O-CB 3.26Å; V66-F70 PolarHBondContact O-N 3.46Å; M67-F70 CarbonylContact O-C 3.48Å; M67-F70 PolarHBondContact O-N 3.07Å; A68-F70 VanDerWaalsContact C-N 3.32Å; A68-F70 PolarHBondContact O-N 3.38Å; F70-S72 VanDerWaalsContact C-N 3.25Å; F70-S72 PolarHBondContact O-N 3.24Å; F70-S72 VanDerWaalsContact O-N 3.08Å; F70-S73 WeakPolarHBondContact O-CB 3.32Å; F70-S73 PolarHBondContact O-N 3.08Å; F70-H75 HydrophobicContact CZ-CB 4.28Å; F70-C76 HydrophobicContact CB-CB 4.44Å; F70-C76 HydrophobicContact CD1-CB 3.41Å; F70-C76 VanDerWaalsContact CD1-CB 3.41Å; F70-C76 VanDerWaalsContact CD1-SG 3.52Å; F70-C76 HydrophobicContact CE1-CB 3.73Å; F70-C76 HydrophobicContact CG-CB 3.96Å; F70-C76 WeakPolarHBondContact O-CB 3.23Å; F70-D130 HydrophobicContact CD2-CB 4.49Å; F70-D130 HydrophobicContact CE2-CB 3.72Å; F70-L131 HydrophobicContact CB-CD1 4.27Å; F70-L131 HydrophobicContact CD1-CD1 4.49Å; F70-L131 HydrophobicContact CD2-CB 4.05Å; F70-L131 HydrophobicContact CD2-CD1 4.07Å; F70-L131 HydrophobicContact CE2-CB 3.82Å; F70-L131 VanDerWaalsContact CE2-N 3.32Å; F70-L131 HydrophobicContact CG-CD1 4.04Å; F70-L131 HydrophobicContact CZ-CB 4.35Å; F70-L159 HydrophobicContact CE1-CB 4.19Å; F70-L159 HydrophobicContact CE1-CD2 4.49Å; F70-L159 HydrophobicContact CZ-CB 4.42Å; F70-L159 HydrophobicContact CZ-CD2 4.34Å; F70-F162 AromaticContact CD1-CE1 3.84Å; F70-F162 HydrophobicContact CD1-CE1 3.84Å; F70-F162 HydrophobicContact CD1-CE2 4.47Å; F70-F162 AromaticContact CD1-CZ 3.51Å; F70-F162 HydrophobicContact CD1-CZ 3.51Å; F70-F162 HydrophobicContact CE1-CE1 4.01Å; F70-F162 AromaticContact CE1-CZ 3.68Å; F70-F162 HydrophobicContact CE1-CZ 3.68Å
71	E	89.9	Confident	87.5	Confident	107 Å²	107	40.9 Å²	40.9	50%	0.5	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-33.4	-169.7	-179.5	162.2	-131.6	0	0	115	M67 S73	M67-E71 PolarHBondContact O-N 3.42Å; E71-S73 PolarHBondContact O-N 2.7Å
72	S	82.1	Confident	87.9	Confident	117 Å²	117	42.7 Å²	42.7	82%	0.818	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-18	176.9	64.1	0	0	0	0	113.7	F70	F70-S72 VanDerWaalsContact C-N 3.25Å; F70-S72 PolarHBondContact O-N 3.24Å; F70-S72 VanDerWaalsContact O-N 3.08Å
73	S	91.2	Very high	87.8	Confident	7 Å²	7	42 Å²	42	5%	0.049	22%	0.219	C	C	.	.	S	Bend	trans	-71.8	130.7	170.8	-175.6	0	0	0	0	110.7	F70 E71 H75 C76 D130	F70-S73 WeakPolarHBondContact O-CB 3.32Å; F70-S73 PolarHBondContact O-N 3.08Å; E71-S73 PolarHBondContact O-N 2.7Å; S73-H75 PolarHBondContact O-N 2.65Å; S73-H75 WeakPolarHBondContact OG-CB 3.36Å; S73-H75 PolarHBondContact OG-N 2.85Å; S73-H75 VanDerWaalsContact OG-N 3.09Å; S73-C76 WeakPolarHBondContact O-CB 3.35Å; S73-C76 PolarHBondContact O-N 3.39Å; S73-D130 WeakPolarHBondContact OG-CB 3.39Å; S73-D130 PolarHBondContact OG-OD2 3.36Å
74	R	92.1	Very high	87	Confident	145 Å²	145	45.9 Å²	45.9	55%	0.547	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-16.1	167.5	67.8	177.4	-70.6	162.3	-1.4	113.7	R156	R74-R156 WeakPolarHBondContact O-CD 3.36Å; R74-R156 PolarHBondContact O-NH1 2.91Å
75	H	95.1	Very high	86.1	Confident	3 Å²	3	47.9 Å²	47.9	1%	0.014	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-2.1	-178.9	-55.9	-76	0	0	0	113.8	F70 S73 S126 A127 D130 I157 Y158 L159	F70-H75 HydrophobicContact CZ-CB 4.28Å; S73-H75 PolarHBondContact O-N 2.65Å; S73-H75 WeakPolarHBondContact OG-CB 3.36Å; S73-H75 PolarHBondContact OG-N 2.85Å; S73-H75 VanDerWaalsContact OG-N 3.09Å; H75-S126 VanDerWaalsContact NE2-CB 3.32Å; H75-S126 WeakPolarHBondContact NE2-CB 3.39Å; H75-S126 PolarHBondContact NE2-OG 3.26Å; H75-A127 HydrophobicContact CB-CB 3.47Å; H75-A127 VanDerWaalsContact CB-CB 3.47Å; H75-D130 IonicContact CD2-OD2 3.48Å; H75-I157 PolarHBondContact ND1-O 2.83Å; H75-Y158 VanDerWaalsContact O-CA 3.24Å; H75-Y158 WeakPolarHBondContact O-CA 3.47Å; H75-L159 PolarHBondContact O-N 3.01Å
76	C	94.3	Very high	85.3	Confident	10 Å²	10	56.3 Å²	56.3	7%	0.068	29%	0.288	C	S	.	.	S	Bend	trans	-79.4	133.6	170.1	-169.8	0	0	0	0	110.2	F70 S73 Y158	F70-C76 HydrophobicContact CB-CB 4.44Å; F70-C76 HydrophobicContact CD1-CB 3.41Å; F70-C76 VanDerWaalsContact CD1-CB 3.41Å; F70-C76 VanDerWaalsContact CD1-SG 3.52Å; F70-C76 HydrophobicContact CE1-CB 3.73Å; F70-C76 HydrophobicContact CG-CB 3.96Å; F70-C76 WeakPolarHBondContact O-CB 3.23Å; S73-C76 WeakPolarHBondContact O-CB 3.35Å; S73-C76 PolarHBondContact O-N 3.39Å; C76-Y158 WeakPolarHBondContact O-CD1 3.39Å; C76-Y158 VanDerWaalsContact O-CE1 3.26Å; C76-Y158 WeakPolarHBondContact O-CE1 3.38Å
77	P	94.3	Very high	84.5	Confident	2 Å²	2	58.2 Å²	58.2	1%	0.013	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-67.1	134.3	167.3	-10.2	25.1	0	0	0	108.3	M67 L79 E94 L96 Y158 L159 I160	M67-P77 HydrophobicContact CE-CB 4.16Å; M67-P77 HydrophobicContact CE-CG 4.42Å; M67-P77 VanDerWaalsContact CE-O 3.24Å; M67-P77 WeakPolarHBondContact CE-O 3.42Å; P77-L79 PolarHBondContact O-N 3Å; P77-E94 HydrophobicContact CB-CB 4.47Å; P77-L96 HydrophobicContact CB-CD1 4.08Å; P77-L96 HydrophobicContact CG-CD1 3.99Å; P77-Y158 HydrophobicContact CB-CD1 4.38Å; P77-Y158 HydrophobicContact CG-CD1 4.33Å; P77-L159 WeakPolarHBondContact CD-O 3.26Å; P77-I160 HydrophobicContact CG-CG2 3.74Å
78	R	91.5	Very high	83.7	Confident	138 Å²	138	58.8 Å²	58.8	52%	0.521	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-62	126.2	177.7	-168	-178.9	65.4	90	-6.3	110.2	M93 E94	R78-M93 CarbonylContact O-C 3.6Å; R78-M93 WeakPolarHBondContact O-CA 3.42Å; R78-E94 HydrophobicContact CB-CB 4.18Å; R78-E94 PolarHBondContact N-OE2 3.39Å; R78-E94 PolarHBondContact O-N 2.78Å
79	L	89.3	Confident	83.4	Confident	39 Å²	39	56.2 Å²	56.2	20%	0.204	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	145.6	169.8	-177.6	62	0	0	0	109.3	V64 M67 P77 I91	V64-L79 HydrophobicContact CG1-CD2 4.03Å; V64-L79 HydrophobicContact CG2-CD1 4.44Å; M67-L79 HydrophobicContact CE-CB 4.34Å; M67-L79 HydrophobicContact CE-CD1 4.46Å; P77-L79 PolarHBondContact O-N 3Å; L79-I91 HydrophobicContact CD1-CG2 3.35Å
80	I	87.8	Confident	83.6	Confident	44 Å²	44	54.8 Å²	54.8	23%	0.226	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	-39.8	-178.3	-57.8	179.9	0	0	0	111.4	W17 A43 V92	W17-I80 HydrophobicContact CH2-CG2 4.07Å; W17-I80 HydrophobicContact CZ2-CG2 3.57Å; A43-I80 HydrophobicContact CB-CD1 3.73Å; I80-V92 WeakPolarHBondContact CA-O 3.22Å; I80-V92 HydrophobicContact CB-CB 4.21Å; I80-V92 HydrophobicContact CB-CG1 3.98Å; I80-V92 WeakPolarHBondContact CB-O 3.47Å; I80-V92 HydrophobicContact CD1-CG1 4.45Å; I80-V92 HydrophobicContact CG2-CG1 4.09Å; I80-V92 PolarHBondContact N-O 2.77Å
81	S	82.3	Confident	83.5	Confident	34 Å²	34	54.8 Å²	54.8	24%	0.238	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.8	162.9	167.1	63.4	0	0	0	0	112.6	I91 V92	S81-I91 CarbonylContact O-C 3.19Å; S81-I91 WeakPolarHBondContact O-CA 3.23Å; S81-V92 PolarHBondContact N-O 3.29Å; S81-V92 VanDerWaalsContact N-O 3.11Å; S81-V92 PolarHBondContact O-N 3.04Å; S81-V92 WeakPolarHBondContact OG-CG2 3.27Å
82	Y	84	Confident	83.5	Confident	57 Å²	57	49.7 Å²	49.7	22%	0.224	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	142.9	164.6	171.3	-98.3	0	0	0	109.9	L61 V64 E84 D89 M90 I91	L61-Y82 HydrophobicContact CB-CE2 4.18Å; L61-Y82 HydrophobicContact CD1-CD1 4.39Å; L61-Y82 HydrophobicContact CD1-CE1 4.09Å; L61-Y82 HydrophobicContact CD1-CE2 4.22Å; V64-Y82 HydrophobicContact CG2-CD2 3.73Å; V64-Y82 HydrophobicContact CG2-CG 4.15Å; Y82-E84 HydrophobicContact CE1-CB 4.1Å; Y82-E84 PolarHBondContact OH-OE2 3.34Å; Y82-D89 HydrophobicContact CE2-CB 4.47Å; Y82-M90 WeakPolarHBondContact CA-O 3.48Å; Y82-M90 VanDerWaalsContact CD2-O 3.25Å; Y82-M90 WeakPolarHBondContact CD2-O 3.36Å; Y82-I91 HydrophobicContact CD2-CG1 4.46Å
83	M	78.4	Confident	84	Confident	31 Å²	31	45.2 Å²	45.2	15%	0.153	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	125.1	179.8	-65.3	173.7	-76	0	0	110.6	I13 N14 D89 M90 V92	I13-M83 HydrophobicContact CG2-CE 3.72Å; I13-M83 HydrophobicContact CG2-SD 3.72Å; N14-M83 HydrophobicContact CB-SD 3.7Å; M83-D89 CarbonylContact O-C 3.49Å; M83-M90 HydrophobicContact CB-CB 4.42Å; M83-M90 PolarHBondContact N-O 3.23Å; M83-M90 PolarHBondContact O-N 3.49Å; M83-V92 HydrophobicContact CE-CG2 3.51Å
84	E	71.3	Confident	84.1	Confident	84 Å²	84	46.5 Å²	46.5	39%	0.393	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	131.8	169.5	174.9	155.4	-160.5	0	0	108.9	K54 Y82 D89 K859	K54-E84 IonicContact NZ-OE1 3.21Å; K54-E84 PolarHBondContact NZ-OE1 2.77Å; Y82-E84 HydrophobicContact CE1-CB 4.1Å; Y82-E84 PolarHBondContact OH-OE2 3.34Å; E84-D89 VanDerWaalsContact CD-OD1 3.26Å; E84-D89 WeakPolarHBondContact CG-OD1 3.46Å; E84-K859 IonicContact OE1-NZ 2.7Å; E84-K859 IonicContact OE2-NZ 2.73Å
85	N	66.2	Low	84.2	Confident	65 Å²	65	40.6 Å²	40.6	35%	0.348	20%	0.197	S	C	.	.			trans	-127.6	170.5	167.3	78.2	52.5	0	0	0	110.7	S87 M88 M90	N85-S87 PolarHBondContact O-N 3.02Å; N85-S87 WeakPolarHBondContact OD1-CA 3.03Å; N85-S87 PolarHBondContact OD1-N 3.41Å; N85-S87 PolarHBondContact OD1-OG 3.23Å; N85-M88 PolarHBondContact N-O 3.26Å; N85-M88 VanDerWaalsContact ND2-CG 3.32Å; N85-M88 WeakPolarHBondContact ND2-CG 3.38Å; N85-M88 PolarHBondContact O-N 3.26Å; N85-M88 PolarHBondContact OD1-N 3.42Å; N85-M90 WeakPolarHBondContact ND2-CE 3.33Å
86	E	65.3	Low	84.2	Confident	204 Å²	204	41.8 Å²	41.8	95%	0.953	20%	0.203	S	C	*	.	S	Bend	trans	-56	-19.7	-174.5	-59.9	-168.5	149.1	0	0	115
87	S	68.8	Low	84.1	Confident	40 Å²	40	42.2 Å²	42.2	28%	0.28	21%	0.209	S	C	.	.	S	Bend	trans	-115.6	-22	-174.3	68.2	0	0	0	0	115.1	C50 N85	C50-S87 WeakPolarHBondContact CB-O 3.11Å; C50-S87 PolarHBondContact N-O 2.93Å; N85-S87 PolarHBondContact O-N 3.02Å; N85-S87 WeakPolarHBondContact OD1-CA 3.03Å; N85-S87 PolarHBondContact OD1-N 3.41Å; N85-S87 PolarHBondContact OD1-OG 3.23Å
88	M	74	Confident	84.1	Confident	16 Å²	16	44 Å²	44	8%	0.079	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	146.8	-174.8	55.6	-173.2	-59.5	0	0	112.8	L7 T47 Q48 C50 N85 M90	L7-M88 HydrophobicContact CB-CE 3.95Å; L7-M88 HydrophobicContact CB-SD 4.31Å; L7-M88 HydrophobicContact CD2-CE 4.35Å; T47-M88 HydrophobicContact CG2-CE 3.68Å; Q48-M88 CarbonylContact O-C 3.43Å; Q48-M88 WeakPolarHBondContact O-CA 3.36Å; Q48-M88 VanDerWaalsContact O-CB 3.29Å; Q48-M88 WeakPolarHBondContact O-CB 3.3Å; C50-M88 VanDerWaalsContact SG-CA 3.54Å; C50-M88 PolarHBondContact SG-N 3.42Å; C50-M88 VanDerWaalsContact SG-N 3.43Å; N85-M88 PolarHBondContact N-O 3.26Å; N85-M88 VanDerWaalsContact ND2-CG 3.32Å; N85-M88 WeakPolarHBondContact ND2-CG 3.38Å; N85-M88 PolarHBondContact O-N 3.26Å; N85-M88 PolarHBondContact OD1-N 3.42Å; M88-M90 HydrophobicContact CE-CE 3.77Å; M88-M90 HydrophobicContact CE-CG 3.87Å; M88-M90 HydrophobicContact CE-SD 3.89Å; M88-M90 HydrophobicContact CG-CE 3.96Å; M88-M90 HydrophobicContact SD-CE 3.8Å
89	D	79.8	Confident	84.3	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	150.1	168.8	-52.5	-43.4	0	0	0	108.9	Q48 K54 S58 L60 Y82 M83 E84	Q48-D89 PolarHBondContact N-O 2.92Å; Q48-D89 PolarHBondContact O-N 2.77Å; K54-D89 VanDerWaalsContact CE-OD2 3.26Å; K54-D89 WeakPolarHBondContact CE-OD2 3.48Å; K54-D89 IonicContact NZ-OD1 3.71Å; K54-D89 PolarHBondContact NZ-OD1 3.45Å; K54-D89 IonicContact NZ-OD2 2.69Å; K54-D89 PolarHBondContact NZ-OD2 2.9Å; S58-D89 WeakPolarHBondContact CB-OD2 3.45Å; S58-D89 WeakPolarHBondContact OG-CB 3.26Å; S58-D89 VanDerWaalsContact OG-CG 3.29Å; S58-D89 PolarHBondContact OG-OD2 3.45Å; L60-D89 HydrophobicContact CD1-CB 4.16Å; L60-D89 VanDerWaalsContact CD1-O 3.25Å; L60-D89 WeakPolarHBondContact CD1-O 3.21Å; Y82-D89 HydrophobicContact CE2-CB 4.47Å; M83-D89 CarbonylContact O-C 3.49Å; E84-D89 VanDerWaalsContact CD-OD1 3.26Å; E84-D89 WeakPolarHBondContact CG-OD1 3.46Å
90	M	86.9	Confident	84.6	Confident	7 Å²	7	36.8 Å²	36.8	3%	0.034	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	147.4	-178.2	-51.5	-166.9	-138.1	0	0	113.2	L7 I13 V45 K46 T47 Y82 M83 N85 M88	L7-M90 HydrophobicContact CD2-SD 4.34Å; I13-M90 HydrophobicContact CD1-SD 3.93Å; I13-M90 HydrophobicContact CG1-SD 4.48Å; I13-M90 HydrophobicContact CG2-CE 3.9Å; I13-M90 HydrophobicContact CG2-SD 3.95Å; V45-M90 HydrophobicContact CG2-CB 4.01Å; V45-M90 HydrophobicContact CG2-SD 4.17Å; K46-M90 CarbonylContact O-C 3.08Å; K46-M90 VanDerWaalsContact O-CA 3.27Å; K46-M90 WeakPolarHBondContact O-CA 3.5Å; T47-M90 HydrophobicContact CG2-CG 3.99Å; T47-M90 HydrophobicContact CG2-SD 4.09Å; Y82-M90 WeakPolarHBondContact CA-O 3.48Å; Y82-M90 VanDerWaalsContact CD2-O 3.25Å; Y82-M90 WeakPolarHBondContact CD2-O 3.36Å; M83-M90 HydrophobicContact CB-CB 4.42Å; M83-M90 PolarHBondContact N-O 3.23Å; M83-M90 PolarHBondContact O-N 3.49Å; N85-M90 WeakPolarHBondContact ND2-CE 3.33Å; M88-M90 HydrophobicContact CE-CE 3.77Å; M88-M90 HydrophobicContact CE-CG 3.87Å; M88-M90 HydrophobicContact CE-SD 3.89Å; M88-M90 HydrophobicContact CG-CE 3.96Å; M88-M90 HydrophobicContact SD-CE 3.8Å
91	I	89.3	Confident	84.9	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	128.3	169	-41.4	172.7	0	0	0	108.7	V45 K46 L60 E63 V64 L79 S81 Y82 M93	V45-I91 CarbonylContact C-O 3.31Å; V45-I91 VanDerWaalsContact CA-O 3.22Å; V45-I91 WeakPolarHBondContact CA-O 3.42Å; V45-I91 WeakPolarHBondContact CG2-O 3.34Å; K46-I91 PolarHBondContact N-O 2.66Å; K46-I91 PolarHBondContact O-N 3.04Å; L60-I91 HydrophobicContact CB-CD1 3.89Å; L60-I91 HydrophobicContact CB-CG1 3.86Å; L60-I91 HydrophobicContact CD1-CG1 4.3Å; L60-I91 HydrophobicContact CD2-CD1 3.82Å; L60-I91 HydrophobicContact CD2-CG1 4.18Å; L60-I91 HydrophobicContact CG-CD1 4.35Å; L60-I91 HydrophobicContact CG-CG1 4.34Å; L60-I91 VanDerWaalsContact O-CD1 3.31Å; L60-I91 WeakPolarHBondContact O-CD1 3.25Å; E63-I91 HydrophobicContact CB-CD1 3.76Å; V64-I91 HydrophobicContact CG2-CD1 3.96Å; V64-I91 HydrophobicContact CG2-CG1 3.87Å; V64-I91 HydrophobicContact CG2-CG2 3.94Å; L79-I91 HydrophobicContact CD1-CG2 3.35Å; S81-I91 CarbonylContact O-C 3.19Å; S81-I91 WeakPolarHBondContact O-CA 3.23Å; Y82-I91 HydrophobicContact CD2-CG1 4.46Å; I91-M93 HydrophobicContact CB-CE 3.87Å; I91-M93 HydrophobicContact CD1-CE 4.24Å; I91-M93 HydrophobicContact CG2-CE 3.78Å
92	V	90.6	Very high	85.4	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	133.3	166.5	-171.8	0	0	0	0	108.9	W17 V34 A43 A44 V45 I80 S81 M83	W17-V92 HydrophobicContact CD2-CG1 4.2Å; W17-V92 HydrophobicContact CE3-CG1 4.45Å; W17-V92 HydrophobicContact CH2-CG1 4.42Å; W17-V92 HydrophobicContact CZ2-CG1 4.17Å; V34-V92 HydrophobicContact CG2-CG1 4.19Å; A43-V92 HydrophobicContact CB-CG1 3.57Å; A44-V92 CarbonylContact O-C 3.59Å; A44-V92 WeakPolarHBondContact O-CA 3.2Å; V45-V92 HydrophobicContact CB-CG2 4.15Å; V45-V92 HydrophobicContact CG2-CG2 3.89Å; I80-V92 WeakPolarHBondContact CA-O 3.22Å; I80-V92 HydrophobicContact CB-CB 4.21Å; I80-V92 HydrophobicContact CB-CG1 3.98Å; I80-V92 WeakPolarHBondContact CB-O 3.47Å; I80-V92 HydrophobicContact CD1-CG1 4.45Å; I80-V92 HydrophobicContact CG2-CG1 4.09Å; I80-V92 PolarHBondContact N-O 2.77Å; S81-V92 PolarHBondContact N-O 3.29Å; S81-V92 VanDerWaalsContact N-O 3.11Å; S81-V92 PolarHBondContact O-N 3.04Å; S81-V92 WeakPolarHBondContact OG-CG2 3.27Å; M83-V92 HydrophobicContact CE-CG2 3.51Å
93	M	92.6	Very high	85.8	Confident	22 Å²	22	37.4 Å²	37.4	11%	0.108	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	167.8	-174.6	63.2	-173.2	69.5	0	0	111.8	A43 A44 K46 M67 R78 I91 L95	A43-M93 WeakPolarHBondContact CB-O 3.28Å; A44-M93 HydrophobicContact CB-CG 4.16Å; A44-M93 PolarHBondContact N-O 3.46Å; A44-M93 PolarHBondContact O-N 3.5Å; K46-M93 HydrophobicContact CB-CE 4.05Å; M67-M93 HydrophobicContact CE-CB 4.01Å; M67-M93 HydrophobicContact CE-CE 4.42Å; M67-M93 HydrophobicContact CE-SD 4.42Å; M67-M93 HydrophobicContact SD-CE 4.12Å; R78-M93 CarbonylContact O-C 3.6Å; R78-M93 WeakPolarHBondContact O-CA 3.42Å; I91-M93 HydrophobicContact CB-CE 3.87Å; I91-M93 HydrophobicContact CD1-CE 4.24Å; I91-M93 HydrophobicContact CG2-CE 3.78Å; M93-L95 PolarHBondContact O-N 3.17Å
94	E	93.2	Very high	86.5	Confident	34 Å²	34	36.2 Å²	36.2	16%	0.159	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-48.9	128.4	176.5	-177.3	166.3	-155	0	0	112.1	P77 R78 L96 K153 Y158	P77-E94 HydrophobicContact CB-CB 4.47Å; R78-E94 HydrophobicContact CB-CB 4.18Å; R78-E94 PolarHBondContact N-OE2 3.39Å; R78-E94 PolarHBondContact O-N 2.78Å; E94-L96 HydrophobicContact CG-CD2 4.12Å; E94-L96 PolarHBondContact O-N 3.37Å; E94-K153 IonicContact OE1-NZ 2.74Å; E94-K153 PolarHBondContact OE1-NZ 2.89Å; E94-K153 IonicContact OE2-NZ 3.35Å; E94-Y158 PolarHBondContact OE2-OH 2.96Å
95	L	94.1	Very high	87.4	Confident	22 Å²	22	35.9 Å²	35.9	12%	0.115	19%	0.193	C	C	.	.			trans	-72.1	113.2	174.5	-179.5	63.2	0	0	0	109.7	I23 M33 V42 A44 M93 M150	I23-L95 HydrophobicContact CD1-CD1 3.48Å; I23-L95 VanDerWaalsContact CD1-CD1 3.48Å; M33-L95 HydrophobicContact CG-CD1 4.37Å; M33-L95 HydrophobicContact CG-CD2 3.92Å; M33-L95 HydrophobicContact SD-CD2 3.9Å; V42-L95 HydrophobicContact CB-CD2 3.89Å; V42-L95 HydrophobicContact CG2-CD2 3.75Å; A44-L95 HydrophobicContact CB-CD1 4.13Å; M93-L95 PolarHBondContact O-N 3.17Å; L95-M150 WeakPolarHBondContact O-CG 3.46Å
96	L	94.1	Very high	88.6	Confident	28 Å²	28	39.5 Å²	39.5	15%	0.147	21%	0.206	C	C	.	.			trans	-95.3	165.2	176.9	-60.5	178.4	0	0	0	112	P77 E94 A147 Y158 I160	P77-L96 HydrophobicContact CB-CD1 4.08Å; P77-L96 HydrophobicContact CG-CD1 3.99Å; E94-L96 HydrophobicContact CG-CD2 4.12Å; E94-L96 PolarHBondContact O-N 3.37Å; L96-A147 HydrophobicContact CB-CB 4.03Å; L96-A147 HydrophobicContact CD1-CB 3.96Å; L96-Y158 HydrophobicContact CD1-CD1 4.2Å; L96-Y158 HydrophobicContact CD1-CD2 4.43Å; L96-Y158 HydrophobicContact CD1-CG 3.87Å; L96-Y158 HydrophobicContact CD2-CD1 3.97Å; L96-Y158 HydrophobicContact CD2-CD2 3.71Å; L96-Y158 HydrophobicContact CD2-CE1 4.01Å; L96-Y158 HydrophobicContact CD2-CE2 3.79Å; L96-Y158 HydrophobicContact CD2-CG 3.79Å; L96-I160 HydrophobicContact CD1-CG2 3.73Å
97	G	92.4	Very high	89.8	Confident	19 Å²	19	33.3 Å²	33.3	20%	0.196	18%	0.179	C	C	.	.			trans	-85.3	-156	177.5	0	0	0	0	0	112.5	F148	G97-F148 WeakPolarHBondContact CA-O 3.42Å; G97-F148 PolarHBondContact N-O 3.33Å
98	P	93.5	Very high	90.9	Very high	40 Å²	40	37 Å²	37	26%	0.26	20%	0.196	S	C	.	.			trans	-62.9	147.9	-178.1	26.6	-34.3	0	0	0	112.6	D102 I103 F148	P98-D102 HydrophobicContact CB-CB 3.58Å; P98-I103 HydrophobicContact CB-CD1 4.09Å; P98-I103 HydrophobicContact CG-CD1 3.87Å; P98-F148 WeakPolarHBondContact O-CD2 3.3Å; P98-F148 PolarHBondContact O-N 3.37Å
99	T	95.5	Very high	91.6	Very high	24 Å²	24	39.2 Å²	39.2	15%	0.147	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-71.2	166.5	166.2	62.4	0	0	0	0	111.6	R101 D102 I103 E144 F146 A147	T99-R101 PolarHBondContact O-N 3Å; T99-R101 PolarHBondContact OG1-N 2.74Å; T99-D102 WeakPolarHBondContact CB-OD2 3.28Å; T99-D102 PolarHBondContact N-OD2 2.82Å; T99-D102 WeakPolarHBondContact O-CB 3.47Å; T99-D102 PolarHBondContact O-N 3.45Å; T99-D102 VanDerWaalsContact O-N 3.17Å; T99-D102 VanDerWaalsContact OG1-CG 3.28Å; T99-D102 PolarHBondContact OG1-N 3.2Å; T99-D102 PolarHBondContact OG1-OD2 2.86Å; T99-I103 PolarHBondContact O-N 3.1Å; T99-E144 WeakPolarHBondContact CG2-O 3.49Å; T99-F146 CarbonylContact C-O 3.56Å; T99-F146 WeakPolarHBondContact CA-O 3.36Å; T99-A147 HydrophobicContact CG2-CB 4.47Å
100	I	95.6	Very high	92.2	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-58	-40.4	168.5	-64.2	177.7	0	0	0	109.3	D102 I103 E104 I120 P143 F146 F148 M217	I100-D102 VanDerWaalsContact C-N 3.34Å; I100-D102 PolarHBondContact O-N 2.86Å; I100-I103 WeakPolarHBondContact O-CA 3.42Å; I100-I103 WeakPolarHBondContact O-CB 3.41Å; I100-I103 PolarHBondContact O-N 3.43Å; I100-E104 HydrophobicContact CG2-CG 4.38Å; I100-E104 WeakPolarHBondContact O-CG 3.39Å; I100-E104 PolarHBondContact O-N 3.47Å; I100-I120 HydrophobicContact CD1-CG2 3.54Å; I100-I120 HydrophobicContact CG1-CG2 4.24Å; I100-P143 HydrophobicContact CB-CB 4.09Å; I100-P143 WeakPolarHBondContact CB-O 3.49Å; I100-P143 HydrophobicContact CG2-CB 4.04Å; I100-P143 PolarHBondContact N-O 3.02Å; I100-F146 HydrophobicContact CD1-CB 3.51Å; I100-F146 HydrophobicContact CD1-CD2 4.05Å; I100-F146 HydrophobicContact CD1-CG 4.06Å; I100-F146 HydrophobicContact CG1-CB 3.84Å; I100-F146 PolarHBondContact N-O 3.44Å; I100-F148 HydrophobicContact CG1-CE2 4.3Å; I100-M217 HydrophobicContact CD1-CE 4.46Å; I100-M217 HydrophobicContact CD1-SD 4.16Å; I100-M217 HydrophobicContact CG2-CG 3.9Å; I100-M217 HydrophobicContact CG2-SD 3.53Å; I100-M217 VanDerWaalsContact CG2-SD 3.53Å
101	R	94.6	Very high	92.4	Very high	29 Å²	29	49.1 Å²	49.1	11%	0.109	25%	0.254	C	S	.	.	H	α-helix	trans	-55.8	-44.8	173.8	-177.8	64.3	72.3	-149	10.5	112.9	T99 I103 E104 V105 P143 E144 Y190 E216	T99-R101 PolarHBondContact O-N 3Å; T99-R101 PolarHBondContact OG1-N 2.74Å; R101-I103 PolarHBondContact O-N 2.96Å; R101-E104 WeakPolarHBondContact CA-OE2 3.32Å; R101-E104 IonicContact CZ-OE2 3.52Å; R101-E104 IonicContact NE-OE2 3.13Å; R101-E104 IonicContact NH1-OE2 3.24Å; R101-E104 PolarHBondContact NH1-OE2 3.46Å; R101-E104 PolarHBondContact O-N 2.86Å; R101-V105 HydrophobicContact CG-CG2 4.38Å; R101-V105 WeakPolarHBondContact O-CB 3.49Å; R101-V105 WeakPolarHBondContact O-CG2 3.41Å; R101-V105 PolarHBondContact O-N 3.18Å; R101-P143 HydrophobicContact CB-CB 4.22Å; R101-P143 PolarHBondContact N-O 3.23Å; R101-E144 HydrophobicContact CB-CG 3.97Å; R101-E144 HydrophobicContact CG-CG 4.14Å; R101-E144 IonicContact CZ-OE1 3.03Å; R101-E144 IonicContact NE-OE1 3.73Å; R101-E144 PolarHBondContact NE-OE1 3.1Å; R101-E144 IonicContact NH2-OE1 2.66Å; R101-E144 PolarHBondContact NH2-OE1 2.72Å; R101-E144 IonicContact NH2-OE2 3.22Å; R101-Y190 PolarHBondContact NH2-OH 2.98Å; R101-E216 IonicContact CZ-OE1 3.04Å; R101-E216 IonicContact NH1-OE1 2.72Å; R101-E216 PolarHBondContact NH1-OE1 2.72Å; R101-E216 IonicContact NH2-OE1 3.28Å
102	D	93.5	Very high	92.5	Very high	70 Å²	70	49.5 Å²	49.5	37%	0.374	26%	0.256	S	S	.	.	H	α-helix	trans	-61.1	-30.9	176.3	-73.9	-68.5	0	0	0	112.6	P98 T99 I100 K106	P98-D102 HydrophobicContact CB-CB 3.58Å; T99-D102 WeakPolarHBondContact CB-OD2 3.28Å; T99-D102 PolarHBondContact N-OD2 2.82Å; T99-D102 WeakPolarHBondContact O-CB 3.47Å; T99-D102 PolarHBondContact O-N 3.45Å; T99-D102 VanDerWaalsContact O-N 3.17Å; T99-D102 VanDerWaalsContact OG1-CG 3.28Å; T99-D102 PolarHBondContact OG1-N 3.2Å; T99-D102 PolarHBondContact OG1-OD2 2.86Å; I100-D102 VanDerWaalsContact C-N 3.34Å; I100-D102 PolarHBondContact O-N 2.86Å; D102-K106 WeakPolarHBondContact O-CB 3.43Å; D102-K106 WeakPolarHBondContact O-CD 3.27Å; D102-K106 WeakPolarHBondContact O-CG 3.46Å; D102-K106 PolarHBondContact O-N 3.42Å; D102-K106 VanDerWaalsContact O-N 3.13Å
103	I	91.9	Very high	92.5	Very high	48 Å²	48	52.7 Å²	52.7	25%	0.246	28%	0.276	C	S	.	.	H	α-helix	trans	-73.8	-45.5	175.2	-59.8	-56.1	0	0	0	110.5	P98 T99 I100 R101 V105 K106 L107 I112 F148	P98-I103 HydrophobicContact CB-CD1 4.09Å; P98-I103 HydrophobicContact CG-CD1 3.87Å; T99-I103 PolarHBondContact O-N 3.1Å; I100-I103 WeakPolarHBondContact O-CA 3.42Å; I100-I103 WeakPolarHBondContact O-CB 3.41Å; I100-I103 PolarHBondContact O-N 3.43Å; R101-I103 PolarHBondContact O-N 2.96Å; I103-V105 VanDerWaalsContact C-N 3.34Å; I103-V105 PolarHBondContact O-N 3.05Å; I103-K106 PolarHBondContact O-N 3.41Å; I103-L107 HydrophobicContact CG2-CD1 3.9Å; I103-L107 HydrophobicContact CG2-CG 4.41Å; I103-L107 WeakPolarHBondContact O-CB 3.35Å; I103-L107 VanDerWaalsContact O-CG 3.3Å; I103-L107 WeakPolarHBondContact O-CG 3.45Å; I103-L107 PolarHBondContact O-N 3.14Å; I103-I112 HydrophobicContact CG2-CD1 4.41Å; I103-F148 HydrophobicContact CG1-CD2 4.38Å; I103-F148 HydrophobicContact CG1-CE2 4.02Å
104	E	92.3	Very high	92.3	Very high	7 Å²	7	53.9 Å²	53.9	3%	0.033	29%	0.286	C	S	.	.	H	α-helix	trans	-59.7	-43.5	176.6	-66.5	166.3	152.3	0	0	111.8	I100 R101 L107 N108 W109 I112 M217	I100-E104 HydrophobicContact CG2-CG 4.38Å; I100-E104 WeakPolarHBondContact O-CG 3.39Å; I100-E104 PolarHBondContact O-N 3.47Å; R101-E104 WeakPolarHBondContact CA-OE2 3.32Å; R101-E104 IonicContact CZ-OE2 3.52Å; R101-E104 IonicContact NE-OE2 3.13Å; R101-E104 IonicContact NH1-OE2 3.24Å; R101-E104 PolarHBondContact NH1-OE2 3.46Å; R101-E104 PolarHBondContact O-N 2.86Å; E104-L107 CarbonylContact O-C 3.46Å; E104-L107 PolarHBondContact O-N 3.09Å; E104-N108 PolarHBondContact O-N 2.82Å; E104-N108 VanDerWaalsContact O-N 3.14Å; E104-W109 PolarHBondContact O-N 2.76Å; E104-I112 HydrophobicContact CG-CD1 4.35Å; E104-M217 WeakPolarHBondContact OE1-CG 3.49Å
105	V	92	Very high	92	Very high	76 Å²	76	52.3 Å²	52.3	46%	0.461	28%	0.279	S	S	.	.	H	α-helix	trans	-62.5	-44	174.1	171.1	0	0	0	0	111.2	R101 I103 L107 N108 W109	R101-V105 HydrophobicContact CG-CG2 4.38Å; R101-V105 WeakPolarHBondContact O-CB 3.49Å; R101-V105 WeakPolarHBondContact O-CG2 3.41Å; R101-V105 PolarHBondContact O-N 3.18Å; I103-V105 VanDerWaalsContact C-N 3.34Å; I103-V105 PolarHBondContact O-N 3.05Å; V105-L107 VanDerWaalsContact C-N 3.28Å; V105-L107 PolarHBondContact O-N 3.44Å; V105-N108 WeakPolarHBondContact O-CA 3.44Å; V105-N108 PolarHBondContact O-N 3.32Å; V105-W109 HydrophobicContact CG2-CH2 4.35Å; V105-W109 HydrophobicContact CG2-CZ2 3.68Å
106	K	90.7	Very high	91.8	Very high	141 Å²	141	54.3 Å²	54.3	61%	0.613	29%	0.287	S	S	*	.	H	α-helix	trans	-65.9	-28	175.9	-76.2	164.3	-168	151.8	0	113.4	D102 I103	D102-K106 WeakPolarHBondContact O-CB 3.43Å; D102-K106 WeakPolarHBondContact O-CD 3.27Å; D102-K106 WeakPolarHBondContact O-CG 3.46Å; D102-K106 PolarHBondContact O-N 3.42Å; D102-K106 VanDerWaalsContact O-N 3.13Å; I103-K106 PolarHBondContact O-N 3.41Å
107	L	90.5	Very high	91.8	Very high	75 Å²	75	53 Å²	53	39%	0.393	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-2.2	172.2	-67.2	172	0	0	0	112.9	I103 E104 V105 K110 I112	I103-L107 HydrophobicContact CG2-CD1 3.9Å; I103-L107 HydrophobicContact CG2-CG 4.41Å; I103-L107 WeakPolarHBondContact O-CB 3.35Å; I103-L107 VanDerWaalsContact O-CG 3.3Å; I103-L107 WeakPolarHBondContact O-CG 3.45Å; I103-L107 PolarHBondContact O-N 3.14Å; E104-L107 CarbonylContact O-C 3.46Å; E104-L107 PolarHBondContact O-N 3.09Å; V105-L107 VanDerWaalsContact C-N 3.28Å; V105-L107 PolarHBondContact O-N 3.44Å; L107-K110 WeakPolarHBondContact O-CB 3.32Å; L107-K110 WeakPolarHBondContact O-CG 3.21Å; L107-I112 HydrophobicContact CD1-CD1 4.34Å; L107-I112 HydrophobicContact CD1-CG1 3.59Å
108	N	92	Very high	91.8	Very high	117 Å²	117	52 Å²	52	63%	0.626	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	52.4	-172.6	-169.8	27	0	0	0	112.3	E104 V105 K110	E104-N108 PolarHBondContact O-N 2.82Å; E104-N108 VanDerWaalsContact O-N 3.14Å; V105-N108 WeakPolarHBondContact O-CA 3.44Å; V105-N108 PolarHBondContact O-N 3.32Å; N108-K110 PolarHBondContact O-N 3.1Å; N108-K110 VanDerWaalsContact O-N 3.09Å
109	W	88.7	Confident	91.6	Very high	63 Å²	63	53.3 Å²	53.3	24%	0.239	28%	0.275	C	S	.	.	S	Bend	trans	59.2	22.8	174.6	-54.4	93.4	0	0	0	114.7	E104 V105 Y225	E104-W109 PolarHBondContact O-N 2.76Å; V105-W109 HydrophobicContact CG2-CH2 4.35Å; V105-W109 HydrophobicContact CG2-CZ2 3.68Å; W109-Y225 HydrophobicContact CE3-CE2 4.26Å; W109-Y225 HydrophobicContact CH2-CE2 4.08Å; W109-Y225 AromaticContact CH2-CZ 3.94Å; W109-Y225 WeakPolarHBondContact CH2-OH 3.4Å; W109-Y225 WeakPolarHBondContact CZ2-OH 3.43Å; W109-Y225 AromaticContact CZ3-CE2 3.63Å; W109-Y225 HydrophobicContact CZ3-CE2 3.63Å; W109-Y225 AromaticContact CZ3-CZ 3.81Å; W109-Y225 WeakPolarHBondContact CZ3-OH 3.41Å
110	K	91.7	Very high	91.5	Very high	139 Å²	139	53 Å²	53	60%	0.604	27%	0.272	S	S	*	.			trans	-82.5	141	172.7	-66.1	177.1	-176.5	176.9	0	109.7	L107 N108 I112	L107-K110 WeakPolarHBondContact O-CB 3.32Å; L107-K110 WeakPolarHBondContact O-CG 3.21Å; N108-K110 PolarHBondContact O-N 3.1Å; N108-K110 VanDerWaalsContact O-N 3.09Å; K110-I112 PolarHBondContact O-N 3.04Å
111	P	91.9	Very high	91.5	Very high	76 Å²	76	53 Å²	53	49%	0.494	27%	0.271	S	S	.	.			trans	-40.2	127	169.2	-35.7	38.1	0	0	0	113.7	F218	P111-F218 WeakPolarHBondContact CB-O 3.47Å
112	I	91.6	Very high	91.6	Very high	8 Å²	8	54.8 Å²	54.8	4%	0.041	28%	0.278	C	S	.	.			trans	-69.6	137.9	166.2	-65.7	176.3	0	0	0	106.9	I103 E104 L107 K110 F116 V117 I120 M217	I103-I112 HydrophobicContact CG2-CD1 4.41Å; E104-I112 HydrophobicContact CG-CD1 4.35Å; L107-I112 HydrophobicContact CD1-CD1 4.34Å; L107-I112 HydrophobicContact CD1-CG1 3.59Å; K110-I112 PolarHBondContact O-N 3.04Å; I112-F116 HydrophobicContact CG2-CB 3.81Å; I112-V117 HydrophobicContact CB-CG2 3.65Å; I112-V117 HydrophobicContact CG2-CG2 3.66Å; I112-V117 VanDerWaalsContact O-CG2 3.26Å; I112-V117 WeakPolarHBondContact O-CG2 3.5Å; I112-I120 HydrophobicContact CD1-CD1 4.49Å; I112-M217 HydrophobicContact CD1-CB 4.17Å; I112-M217 HydrophobicContact CD1-CG 3.95Å; I112-M217 HydrophobicContact CD1-SD 4.16Å; I112-M217 PolarHBondContact N-O 3.28Å
113	P	89.5	Confident	91.6	Very high	67 Å²	67	53 Å²	53	44%	0.435	27%	0.268	S	S	.	.			trans	-57.1	130.5	-178.2	-26	34.6	0	0	0	111.5	G115 F116 V117	P113-G115 VanDerWaalsContact C-N 3.29Å; P113-G115 PolarHBondContact O-N 2.78Å; P113-F116 HydrophobicContact CB-CD2 4.13Å; P113-F116 HydrophobicContact CG-CD2 4.5Å; P113-F116 WeakPolarHBondContact O-CA 3.5Å; P113-F116 WeakPolarHBondContact O-CB 3.42Å; P113-F116 PolarHBondContact O-N 2.84Å; P113-V117 PolarHBondContact O-N 2.95Å
114	P	90	Very high	91.9	Very high	47 Å²	47	50.8 Å²	50.8	31%	0.305	26%	0.256	S	S	.	.	H	α-helix	trans	-47.1	-39.2	-167.2	-37.7	37.8	0	0	0	117.3	F116 V117 A118 F218 H285	P114-F116 PolarHBondContact O-N 3.31Å; P114-V117 WeakPolarHBondContact O-CB 3.19Å; P114-V117 PolarHBondContact O-N 2.8Å; P114-A118 PolarHBondContact O-N 3.14Å; P114-F218 HydrophobicContact CB-CD1 3.99Å; P114-F218 HydrophobicContact CB-CE1 3.68Å; P114-F218 HydrophobicContact CG-CD1 4.24Å; P114-F218 HydrophobicContact CG-CE1 4.43Å; P114-F218 WeakPolarHBondContact O-CE1 3.24Å; P114-H285 HydrophobicContact CB-CB 4.24Å
115	G	86.8	Confident	92.2	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-70.1	-29.2	177.6	0	0	0	0	0	114.2	P113 L119 V287	P113-G115 VanDerWaalsContact C-N 3.29Å; P113-G115 PolarHBondContact O-N 2.78Å; G115-L119 WeakPolarHBondContact O-CB 3.3Å; G115-L119 PolarHBondContact O-N 2.87Å; G115-V287 VanDerWaalsContact C-CG2 3.48Å
116	F	88.9	Confident	92.4	Very high	64 Å²	64	47.9 Å²	47.9	28%	0.281	24%	0.24	S	C	.	.	H	α-helix	trans	-74.2	-37.7	172.1	-77.2	-94.9	0	0	0	110.8	I112 P113 P114 A118 L119 I120 V287 Y305	I112-F116 HydrophobicContact CG2-CB 3.81Å; P113-F116 HydrophobicContact CB-CD2 4.13Å; P113-F116 HydrophobicContact CG-CD2 4.5Å; P113-F116 WeakPolarHBondContact O-CA 3.5Å; P113-F116 WeakPolarHBondContact O-CB 3.42Å; P113-F116 PolarHBondContact O-N 2.84Å; P114-F116 PolarHBondContact O-N 3.31Å; F116-A118 VanDerWaalsContact C-N 3.29Å; F116-A118 PolarHBondContact O-N 3.03Å; F116-L119 PolarHBondContact O-N 3.01Å; F116-I120 WeakPolarHBondContact O-CB 3.29Å; F116-I120 VanDerWaalsContact O-CG1 3.27Å; F116-I120 WeakPolarHBondContact O-CG1 3.33Å; F116-I120 PolarHBondContact O-N 3.39Å; F116-V287 HydrophobicContact CD2-CG2 3.5Å; F116-V287 VanDerWaalsContact CD2-CG2 3.5Å; F116-V287 HydrophobicContact CE2-CG2 3.64Å; F116-V287 HydrophobicContact CG-CG2 4.31Å; F116-Y305 AromaticContact CE2-CD2 3.91Å; F116-Y305 HydrophobicContact CE2-CD2 3.91Å; F116-Y305 HydrophobicContact CE2-CE2 4.27Å; F116-Y305 HydrophobicContact CZ-CD2 4.02Å
117	V	93.9	Very high	92.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-56.5	-47.1	171.6	-176.2	0	0	0	0	110.5	I112 P113 P114 I120 G121 I214 M217 F218	I112-V117 HydrophobicContact CB-CG2 3.65Å; I112-V117 HydrophobicContact CG2-CG2 3.66Å; I112-V117 VanDerWaalsContact O-CG2 3.26Å; I112-V117 WeakPolarHBondContact O-CG2 3.5Å; P113-V117 PolarHBondContact O-N 2.95Å; P114-V117 WeakPolarHBondContact O-CB 3.19Å; P114-V117 PolarHBondContact O-N 2.8Å; V117-I120 PolarHBondContact O-N 2.98Å; V117-G121 PolarHBondContact O-N 3.22Å; V117-I214 HydrophobicContact CG1-CG2 4.12Å; V117-M217 HydrophobicContact CB-CB 4.42Å; V117-M217 HydrophobicContact CG1-CB 3.67Å; V117-M217 HydrophobicContact CG1-CE 4.19Å; V117-M217 HydrophobicContact CG2-CB 4Å; V117-F218 HydrophobicContact CB-CD1 3.85Å; V117-F218 HydrophobicContact CB-CD2 4.42Å; V117-F218 HydrophobicContact CB-CE1 3.71Å; V117-F218 HydrophobicContact CB-CE2 4.3Å; V117-F218 HydrophobicContact CB-CG 4.18Å; V117-F218 HydrophobicContact CB-CZ 3.94Å; V117-F218 HydrophobicContact CG1-CD1 3.94Å; V117-F218 HydrophobicContact CG1-CD2 3.62Å; V117-F218 HydrophobicContact CG1-CE1 3.92Å; V117-F218 HydrophobicContact CG1-CE2 3.6Å; V117-F218 HydrophobicContact CG1-CG 3.76Å; V117-F218 HydrophobicContact CG1-CZ 3.74Å; V117-F218 HydrophobicContact CG2-CD1 3.84Å; V117-F218 HydrophobicContact CG2-CE1 4.18Å; V117-F218 HydrophobicContact CG2-CG 4.18Å
118	A	92.1	Very high	93.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-65.5	-40.1	178.2	0	0	0	0	0	112.7	P114 F116 I120 G121 R122 L278 I281 M282	P114-A118 PolarHBondContact O-N 3.14Å; F116-A118 VanDerWaalsContact C-N 3.29Å; F116-A118 PolarHBondContact O-N 3.03Å; A118-I120 PolarHBondContact O-N 3.42Å; A118-G121 PolarHBondContact O-N 2.9Å; A118-R122 WeakPolarHBondContact O-CG 3.39Å; A118-R122 PolarHBondContact O-N 3.27Å; A118-R122 VanDerWaalsContact O-N 3.09Å; A118-L278 WeakPolarHBondContact CB-O 3.36Å; A118-I281 HydrophobicContact CB-CB 3.86Å; A118-I281 HydrophobicContact CB-CG2 3.97Å; A118-M282 HydrophobicContact CB-CB 4.49Å; A118-M282 HydrophobicContact CB-CG 3.57Å
119	L	90.2	Very high	93.3	Very high	67 Å²	67	35.6 Å²	35.6	35%	0.351	18%	0.176	S	C	.	.	H	α-helix	trans	-61.2	-41.3	174.2	175.5	62.9	0	0	0	112.6	G115 F116 M282 V287	G115-L119 WeakPolarHBondContact O-CB 3.3Å; G115-L119 PolarHBondContact O-N 2.87Å; F116-L119 PolarHBondContact O-N 3.01Å; L119-M282 HydrophobicContact CB-CE 4.09Å; L119-M282 HydrophobicContact CB-SD 4.28Å; L119-M282 HydrophobicContact CD1-CE 3.76Å; L119-M282 HydrophobicContact CD1-SD 4.4Å; L119-M282 HydrophobicContact CG-CE 4.45Å; L119-V287 HydrophobicContact CB-CG1 4.49Å; L119-V287 HydrophobicContact CD2-CG1 4.38Å
120	I	94	Very high	93.6	Very high	17 Å²	17	33.5 Å²	33.5	9%	0.087	17%	0.169	C	C	.	.	H	α-helix	trans	-66.7	-53	176	-71.8	169.3	0	0	0	109.9	I100 I112 F116 V117 A118 R122 Q123 C124 F148 I157 M217	I100-I120 HydrophobicContact CD1-CG2 3.54Å; I100-I120 HydrophobicContact CG1-CG2 4.24Å; I112-I120 HydrophobicContact CD1-CD1 4.49Å; F116-I120 WeakPolarHBondContact O-CB 3.29Å; F116-I120 VanDerWaalsContact O-CG1 3.27Å; F116-I120 WeakPolarHBondContact O-CG1 3.33Å; F116-I120 PolarHBondContact O-N 3.39Å; V117-I120 PolarHBondContact O-N 2.98Å; A118-I120 PolarHBondContact O-N 3.42Å; I120-R122 PolarHBondContact O-N 3.35Å; I120-Q123 PolarHBondContact O-N 3.43Å; I120-C124 PolarHBondContact O-N 3.42Å; I120-C124 VanDerWaalsContact O-N 3.1Å; I120-C124 PolarHBondContact O-SG 3.3Å; I120-F148 HydrophobicContact CD1-CZ 4.13Å; I120-F148 HydrophobicContact CG1-CZ 4.09Å; I120-I157 HydrophobicContact CB-CD1 4.14Å; I120-I157 HydrophobicContact CG1-CD1 4.23Å; I120-I157 HydrophobicContact CG2-CD1 3.63Å; I120-M217 HydrophobicContact CB-SD 4.33Å; I120-M217 HydrophobicContact CD1-SD 4.41Å; I120-M217 HydrophobicContact CG2-CE 3.81Å; I120-M217 HydrophobicContact CG2-SD 3.58Å; I120-M217 VanDerWaalsContact CG2-SD 3.58Å
121	G	95.6	Very high	93.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-56.6	-33.3	-178.3	0	0	0	0	0	114	V117 A118 C124 L125	V117-G121 PolarHBondContact O-N 3.22Å; A118-G121 PolarHBondContact O-N 2.9Å; G121-C124 PolarHBondContact O-N 3.48Å; G121-L125 VanDerWaalsContact O-CB 3.25Å; G121-L125 WeakPolarHBondContact O-CB 3.18Å; G121-L125 PolarHBondContact O-N 2.91Å
122	R	94.8	Very high	94	Very high	67 Å²	67	23.5 Å²	23.5	25%	0.253	12%	0.118	S	C	.	.	H	α-helix	trans	-64	-39.2	174	-73.8	-178.6	73.3	-166.7	7.1	113	A118 I120 S126 D275 L278 T279 M282	A118-R122 WeakPolarHBondContact O-CG 3.39Å; A118-R122 PolarHBondContact O-N 3.27Å; A118-R122 VanDerWaalsContact O-N 3.09Å; I120-R122 PolarHBondContact O-N 3.35Å; R122-S126 WeakPolarHBondContact O-CB 3.4Å; R122-S126 PolarHBondContact O-N 2.91Å; R122-D275 WeakPolarHBondContact CG-OD1 3.43Å; R122-D275 IonicContact CZ-OD1 3.41Å; R122-D275 IonicContact CZ-OD2 2.63Å; R122-D275 IonicContact NE-OD1 3.42Å; R122-D275 PolarHBondContact NE-OD1 3.46Å; R122-D275 IonicContact NE-OD2 3.27Å; R122-D275 PolarHBondContact NE-OD2 3.18Å; R122-D275 IonicContact NH2-OD1 2.65Å; R122-D275 PolarHBondContact NH2-OD1 2.8Å; R122-D275 IonicContact NH2-OD2 2.67Å; R122-D275 PolarHBondContact NH2-OD2 3.09Å; R122-L278 HydrophobicContact CG-CB 3.52Å; R122-L278 HydrophobicContact CG-CD1 3.88Å; R122-L278 HydrophobicContact CG-CG 4.37Å; R122-T279 PolarHBondContact NE-OG1 3.1Å; R122-T279 VanDerWaalsContact NE-OG1 3.12Å; R122-T279 PolarHBondContact NH1-OG1 3.17Å; R122-T279 PolarHBondContact NH2-OG1 2.94Å; R122-M282 VanDerWaalsContact CD-SD 3.54Å
123	Q	95	Very high	94	Very high	34 Å²	34	28.9 Å²	28.9	16%	0.159	14%	0.143	C	C	.	.	H	α-helix	trans	-73.4	-38.7	177.6	-63.3	-164.2	69	0	0	111.6	I120 S126 A127 R155 I157	I120-Q123 PolarHBondContact O-N 3.43Å; Q123-S126 WeakPolarHBondContact O-CB 3.47Å; Q123-S126 PolarHBondContact O-N 3.32Å; Q123-A127 PolarHBondContact O-N 3.4Å; Q123-R155 PolarHBondContact NE2-O 2.95Å; Q123-R155 PolarHBondContact OE1-O 2.89Å; Q123-I157 HydrophobicContact CB-CB 3.91Å; Q123-I157 HydrophobicContact CB-CD1 4.23Å; Q123-I157 HydrophobicContact CB-CG1 4.27Å; Q123-I157 VanDerWaalsContact OE1-N 3.08Å
124	C	98.1	Very high	94	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-59.1	-46.1	171.4	-62.7	0	0	0	0	111.7	I120 G121 S126 A127 V128 F146 L210	I120-C124 PolarHBondContact O-N 3.42Å; I120-C124 VanDerWaalsContact O-N 3.1Å; I120-C124 PolarHBondContact O-SG 3.3Å; G121-C124 PolarHBondContact O-N 3.48Å; C124-S126 VanDerWaalsContact C-N 3.34Å; C124-S126 PolarHBondContact O-N 3.29Å; C124-A127 PolarHBondContact O-N 3.43Å; C124-V128 WeakPolarHBondContact O-CG2 3.37Å; C124-V128 PolarHBondContact O-N 2.93Å; C124-F146 HydrophobicContact CB-CD1 4.08Å; C124-F146 HydrophobicContact CB-CD2 4.35Å; C124-F146 HydrophobicContact CB-CE1 3.62Å; C124-F146 HydrophobicContact CB-CE2 3.91Å; C124-F146 HydrophobicContact CB-CG 4.43Å; C124-F146 HydrophobicContact CB-CZ 3.53Å; C124-L210 HydrophobicContact CB-CD1 3.52Å
125	L	97.8	Very high	94	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.016	13%	0.126	C	C	.	.	H	α-helix	trans	-60.9	-41	175.4	179.8	68.8	0	0	0	112.4	G121 V128 R129 L207 L210 Y271 L274 D275 L278	G121-L125 VanDerWaalsContact O-CB 3.25Å; G121-L125 WeakPolarHBondContact O-CB 3.18Å; G121-L125 PolarHBondContact O-N 2.91Å; L125-V128 PolarHBondContact O-N 2.89Å; L125-R129 WeakPolarHBondContact O-CB 3.14Å; L125-R129 PolarHBondContact O-N 3.22Å; L125-L207 HydrophobicContact CD1-CD2 3.53Å; L125-L210 HydrophobicContact CB-CD2 3.94Å; L125-L210 HydrophobicContact CD1-CD2 4.02Å; L125-Y271 HydrophobicContact CD1-CD1 3.89Å; L125-Y271 HydrophobicContact CG-CD1 4.44Å; L125-L274 HydrophobicContact CD1-CB 4.09Å; L125-L274 HydrophobicContact CD1-CD1 3.94Å; L125-L274 HydrophobicContact CD2-CB 3.6Å; L125-D275 HydrophobicContact CD2-CB 3.97Å; L125-L278 HydrophobicContact CD2-CD1 4.29Å
126	S	96	Very high	94.3	Very high	20 Å²	20	26.7 Å²	26.7	14%	0.14	13%	0.125	C	C	.	.	H	α-helix	trans	-63.9	-41.1	175.9	-176.1	0	0	0	0	111.8	H75 R122 Q123 C124 R129 D130	H75-S126 VanDerWaalsContact NE2-CB 3.32Å; H75-S126 WeakPolarHBondContact NE2-CB 3.39Å; H75-S126 PolarHBondContact NE2-OG 3.26Å; R122-S126 WeakPolarHBondContact O-CB 3.4Å; R122-S126 PolarHBondContact O-N 2.91Å; Q123-S126 WeakPolarHBondContact O-CB 3.47Å; Q123-S126 PolarHBondContact O-N 3.32Å; C124-S126 VanDerWaalsContact C-N 3.34Å; C124-S126 PolarHBondContact O-N 3.29Å; S126-R129 PolarHBondContact OG-NH2 2.91Å; S126-D130 PolarHBondContact O-N 2.95Å; S126-D130 VanDerWaalsContact O-N 3.13Å
127	A	97.5	Very high	94.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-65.6	-43.6	175.8	0	0	0	0	0	112.8	H75 Q123 C124 D130 L131 F146 L159	H75-A127 HydrophobicContact CB-CB 3.47Å; H75-A127 VanDerWaalsContact CB-CB 3.47Å; Q123-A127 PolarHBondContact O-N 3.4Å; C124-A127 PolarHBondContact O-N 3.43Å; A127-D130 PolarHBondContact O-N 2.66Å; A127-L131 PolarHBondContact O-N 3.07Å; A127-L131 VanDerWaalsContact O-N 3.16Å; A127-F146 HydrophobicContact CB-CE1 4.47Å; A127-L159 HydrophobicContact CB-CB 4Å; A127-L159 HydrophobicContact CB-CD2 4.37Å
128	V	97.9	Very high	94.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-64.8	-42.8	176.8	174	0	0	0	0	111.2	C124 L125 D130 L131 H132 I141 F146 D206 L207 L210	C124-V128 WeakPolarHBondContact O-CG2 3.37Å; C124-V128 PolarHBondContact O-N 2.93Å; L125-V128 PolarHBondContact O-N 2.89Å; V128-D130 VanDerWaalsContact C-N 3.34Å; V128-D130 PolarHBondContact O-N 2.89Å; V128-L131 PolarHBondContact O-N 2.56Å; V128-H132 PolarHBondContact O-CD2 3.17Å; V128-H132 VanDerWaalsContact O-CG 3.29Å; V128-H132 PolarHBondContact O-N 2.67Å; V128-H132 VanDerWaalsContact O-N 3.12Å; V128-I141 HydrophobicContact CG2-CD1 3.81Å; V128-I141 HydrophobicContact CG2-CG1 4.34Å; V128-F146 HydrophobicContact CG2-CZ 4.19Å; V128-D206 HydrophobicContact CG1-CB 4.06Å; V128-L207 HydrophobicContact CG1-CD2 4.24Å; V128-L210 HydrophobicContact CG2-CD2 4.44Å
129	R	96.6	Very high	94.8	Very high	74 Å²	74	25.4 Å²	25.4	28%	0.279	12%	0.118	S	C	.	.	H	α-helix	trans	-52.4	-52.8	173	177.1	-165.4	66.9	-129.5	-9.4	111.4	L125 S126 L131 H132 Q133 Y271	L125-R129 WeakPolarHBondContact O-CB 3.14Å; L125-R129 PolarHBondContact O-N 3.22Å; S126-R129 PolarHBondContact OG-NH2 2.91Å; R129-L131 VanDerWaalsContact C-N 3.34Å; R129-L131 PolarHBondContact O-N 3.22Å; R129-H132 PolarHBondContact O-N 3.2Å; R129-H132 VanDerWaalsContact O-N 3.16Å; R129-Q133 HydrophobicContact CG-CG 4.45Å; R129-Q133 WeakPolarHBondContact O-CG 3.48Å; R129-Q133 PolarHBondContact O-N 3.35Å; R129-Y271 HydrophobicContact CB-CD1 3.55Å; R129-Y271 HydrophobicContact CB-CD2 4.19Å; R129-Y271 HydrophobicContact CB-CE1 3.75Å; R129-Y271 HydrophobicContact CB-CE2 4.36Å; R129-Y271 HydrophobicContact CB-CG 3.79Å; R129-Y271 HydrophobicContact CG-CD1 4.02Å; R129-Y271 HydrophobicContact CG-CD2 3.72Å; R129-Y271 HydrophobicContact CG-CE1 4.33Å; R129-Y271 HydrophobicContact CG-CE2 4.06Å; R129-Y271 HydrophobicContact CG-CG 3.71Å
130	D	96.1	Very high	95	Very high	19 Å²	19	22.5 Å²	22.5	10%	0.102	10%	0.103	C	C	.	.	H	α-helix	trans	-64.8	-40.5	-172.6	-68.1	-3.6	0	0	0	110.7	F70 S73 H75 S126 A127 V128 H132 Q133 C134	F70-D130 HydrophobicContact CD2-CB 4.49Å; F70-D130 HydrophobicContact CE2-CB 3.72Å; S73-D130 WeakPolarHBondContact OG-CB 3.39Å; S73-D130 PolarHBondContact OG-OD2 3.36Å; H75-D130 IonicContact CD2-OD2 3.48Å; S126-D130 PolarHBondContact O-N 2.95Å; S126-D130 VanDerWaalsContact O-N 3.13Å; A127-D130 PolarHBondContact O-N 2.66Å; V128-D130 VanDerWaalsContact C-N 3.34Å; V128-D130 PolarHBondContact O-N 2.89Å; D130-H132 VanDerWaalsContact C-N 3.28Å; D130-H132 PolarHBondContact O-N 3Å; D130-Q133 WeakPolarHBondContact O-CB 3.48Å; D130-Q133 PolarHBondContact O-N 2.68Å; D130-C134 PolarHBondContact O-N 3.4Å; D130-C134 PolarHBondContact O-SG 3.02Å
131	L	96.3	Very high	95.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-61.3	-38.3	175.1	-177	67.2	0	0	0	111.9	V66 F70 A127 V128 R129 C134 F136 H138 L159 F162	V66-L131 HydrophobicContact CG1-CD1 3.83Å; F70-L131 HydrophobicContact CB-CD1 4.27Å; F70-L131 HydrophobicContact CD1-CD1 4.49Å; F70-L131 HydrophobicContact CD2-CB 4.05Å; F70-L131 HydrophobicContact CD2-CD1 4.07Å; F70-L131 HydrophobicContact CE2-CB 3.82Å; F70-L131 VanDerWaalsContact CE2-N 3.32Å; F70-L131 HydrophobicContact CG-CD1 4.04Å; F70-L131 HydrophobicContact CZ-CB 4.35Å; A127-L131 PolarHBondContact O-N 3.07Å; A127-L131 VanDerWaalsContact O-N 3.16Å; V128-L131 PolarHBondContact O-N 2.56Å; R129-L131 VanDerWaalsContact C-N 3.34Å; R129-L131 PolarHBondContact O-N 3.22Å; L131-C134 WeakPolarHBondContact O-CB 3.35Å; L131-C134 PolarHBondContact O-N 2.61Å; L131-F136 CarbonylContact C-O 3.55Å; L131-F136 HydrophobicContact CD1-CB 3.93Å; L131-F136 HydrophobicContact CG-CB 4.09Å; L131-F136 PolarHBondContact O-N 3.42Å; L131-H138 HydrophobicContact CD2-CB 3.84Å; L131-L159 HydrophobicContact CB-CD2 4.42Å; L131-L159 HydrophobicContact CD2-CD2 3.93Å; L131-F162 HydrophobicContact CD1-CD1 4.46Å; L131-F162 HydrophobicContact CD1-CE1 4.23Å; L131-F162 HydrophobicContact CD2-CE1 4.4Å
132	H	94.7	Very high	95.2	Very high	6 Å²	6	22.9 Å²	22.9	3%	0.028	10%	0.104	C	C	.	.	H	α-helix	trans	-74.1	-26.5	179	-67.6	-164.2	0	0	0	113	V128 R129 D130 C134 H135 F136 Y168 A203 D206 Y271	V128-H132 PolarHBondContact O-CD2 3.17Å; V128-H132 VanDerWaalsContact O-CG 3.29Å; V128-H132 PolarHBondContact O-N 2.67Å; V128-H132 VanDerWaalsContact O-N 3.12Å; R129-H132 PolarHBondContact O-N 3.2Å; R129-H132 VanDerWaalsContact O-N 3.16Å; D130-H132 VanDerWaalsContact C-N 3.28Å; D130-H132 PolarHBondContact O-N 3Å; H132-C134 VanDerWaalsContact C-N 3.35Å; H132-H135 PolarHBondContact O-N 2.95Å; H132-F136 VanDerWaalsContact CA-O 3.28Å; H132-F136 WeakPolarHBondContact CA-O 3.44Å; H132-F136 PolarHBondContact CD2-O 3.05Å; H132-Y168 PolarHBondContact O-OH 3.45Å; H132-Y168 VanDerWaalsContact O-OH 3.14Å; H132-A203 WeakPolarHBondContact CE1-CA 3.37Å; H132-A203 PolarHBondContact CE1-O 3.14Å; H132-A203 WeakPolarHBondContact ND1-CA 3.18Å; H132-A203 VanDerWaalsContact ND1-CB 3.28Å; H132-A203 WeakPolarHBondContact ND1-CB 3.47Å; H132-D206 IonicContact CD2-OD2 3.26Å; H132-D206 WeakPolarHBondContact CE1-CB 3.32Å; H132-D206 IonicContact CE1-OD2 3.42Å; H132-D206 PolarHBondContact CE1-OD2 3.3Å; H132-D206 WeakPolarHBondContact NE2-CB 3.32Å; H132-D206 IonicContact NE2-OD1 2.75Å; H132-D206 CovalentContact NE2-OD2 1.79Å; H132-D206 IonicContact NE2-OD2 3.98Å; H132-D206 PolarHBondContact NE2-OD2 3Å; H132-Y271 WeakPolarHBondContact CB-OH 3.47Å; H132-Y271 PolarHBondContact ND1-OH 3.38Å
133	Q	91.9	Very high	95.3	Very high	121 Å²	121	19.7 Å²	19.7	57%	0.565	9%	0.092	S	C	*	.	H	α-helix	trans	-70.7	-30.8	168.4	-71.9	175.4	-25.4	0	0	111.7	R129 D130 H135	R129-Q133 HydrophobicContact CG-CG 4.45Å; R129-Q133 WeakPolarHBondContact O-CG 3.48Å; R129-Q133 PolarHBondContact O-N 3.35Å; D130-Q133 WeakPolarHBondContact O-CB 3.48Å; D130-Q133 PolarHBondContact O-N 2.68Å; Q133-H135 PolarHBondContact O-N 3.06Å
134	C	89.6	Confident	95.3	Very high	24 Å²	24	20.9 Å²	20.9	16%	0.162	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	6	170	-58	0	0	0	0	113.9	A69 D130 L131 H132 F136	A69-C134 PolarHBondContact O-SG 2.92Å; D130-C134 PolarHBondContact O-N 3.4Å; D130-C134 PolarHBondContact O-SG 3.02Å; L131-C134 WeakPolarHBondContact O-CB 3.35Å; L131-C134 PolarHBondContact O-N 2.61Å; H132-C134 VanDerWaalsContact C-N 3.35Å; C134-F136 HydrophobicContact CB-CD2 4.13Å; C134-F136 WeakPolarHBondContact O-CD2 3.14Å; C134-F136 VanDerWaalsContact O-CE2 3.27Å; C134-F136 WeakPolarHBondContact O-CE2 3.46Å
135	H	90.5	Very high	95.2	Very high	45 Å²	45	21.1 Å²	21.1	21%	0.208	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.1	18.2	179.4	-47.4	86.7	0	0	0	115.9	H132 Q133 R167 Y168 R169 F170	H132-H135 PolarHBondContact O-N 2.95Å; Q133-H135 PolarHBondContact O-N 3.06Å; H135-R167 WeakPolarHBondContact O-CA 3.45Å; H135-R167 WeakPolarHBondContact O-CG 3.45Å; H135-Y168 VanDerWaalsContact C-CD1 3.48Å; H135-Y168 VanDerWaalsContact C-CE1 3.49Å; H135-Y168 WeakPolarHBondContact O-CD1 3.33Å; H135-Y168 PolarHBondContact O-N 3.22Å; H135-R169 HydrophobicContact CB-CB 4.07Å; H135-R169 WeakPolarHBondContact CB-O 3.36Å; H135-F170 PolarHBondContact CD2-O 3.15Å
136	F	93	Very high	95.2	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	156.6	179.2	-64.1	-90.1	0	0	0	113.3	W62 Y65 V66 A69 L131 H132 C134 T165 K166 R167	W62-F136 HydrophobicContact CH2-CE1 4.12Å; W62-F136 HydrophobicContact CZ2-CD1 4.49Å; W62-F136 HydrophobicContact CZ2-CE1 4.09Å; Y65-F136 HydrophobicContact CD1-CE1 4.24Å; Y65-F136 HydrophobicContact CD1-CZ 4.01Å; Y65-F136 HydrophobicContact CE1-CE1 4.04Å; Y65-F136 AromaticContact CE1-CZ 3.61Å; Y65-F136 HydrophobicContact CE1-CZ 3.61Å; V66-F136 HydrophobicContact CG2-CD1 4.02Å; V66-F136 HydrophobicContact CG2-CE1 3.95Å; A69-F136 HydrophobicContact CB-CD2 4.41Å; A69-F136 HydrophobicContact CB-CE2 3.54Å; A69-F136 HydrophobicContact CB-CZ 4.16Å; L131-F136 CarbonylContact C-O 3.55Å; L131-F136 HydrophobicContact CD1-CB 3.93Å; L131-F136 HydrophobicContact CG-CB 4.09Å; L131-F136 PolarHBondContact O-N 3.42Å; H132-F136 VanDerWaalsContact CA-O 3.28Å; H132-F136 WeakPolarHBondContact CA-O 3.44Å; H132-F136 PolarHBondContact CD2-O 3.05Å; C134-F136 HydrophobicContact CB-CD2 4.13Å; C134-F136 WeakPolarHBondContact O-CD2 3.14Å; C134-F136 VanDerWaalsContact O-CE2 3.27Å; C134-F136 WeakPolarHBondContact O-CE2 3.46Å; F136-T165 HydrophobicContact CB-CG2 3.66Å; F136-T165 HydrophobicContact CD1-CG2 3.83Å; F136-T165 HydrophobicContact CG-CG2 4.09Å; F136-K166 CarbonylContact C-O 3.43Å; F136-K166 WeakPolarHBondContact CA-O 3.41Å; F136-R167 HydrophobicContact CD1-CB 3.85Å; F136-R167 HydrophobicContact CE1-CB 3.78Å; F136-R167 HydrophobicContact CE1-CG 4.48Å
137	I	94.7	Very high	95.2	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	138.8	167.1	53.5	172.5	0	0	0	109.2	R139 T165 K166 Y168 L201 D206	I137-R139 HydrophobicContact CB-CG 4.49Å; I137-R139 HydrophobicContact CD1-CG 3.9Å; I137-R139 HydrophobicContact CG1-CG 3.93Å; I137-T165 CarbonylContact O-C 3.58Å; I137-T165 WeakPolarHBondContact O-CA 3.13Å; I137-T165 VanDerWaalsContact O-CG2 3.25Å; I137-T165 WeakPolarHBondContact O-CG2 3.1Å; I137-K166 HydrophobicContact CG1-CB 4.33Å; I137-K166 WeakPolarHBondContact CG1-O 3.35Å; I137-K166 PolarHBondContact N-O 3.08Å; I137-K166 PolarHBondContact O-N 3.41Å; I137-Y168 HydrophobicContact CG2-CD1 3.72Å; I137-Y168 HydrophobicContact CG2-CE1 4.05Å; I137-Y168 HydrophobicContact CG2-CG 4.03Å; I137-L201 HydrophobicContact CD1-CB 4.08Å; I137-L201 WeakPolarHBondContact CD1-O 3.44Å; I137-D206 WeakPolarHBondContact CA-OD2 3.45Å
138	H	95.6	Very high	95.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.1	C	C	.	.			trans	-76.9	-37.4	-171.4	-161.2	-66.1	0	0	0	113	L131 D140 I141 I160 D161 F162 M164 T165 D206	L131-H138 HydrophobicContact CD2-CB 3.84Å; H138-D140 PolarHBondContact O-N 2.65Å; H138-D140 VanDerWaalsContact O-N 3.1Å; H138-I141 HydrophobicContact CB-CD1 3.59Å; H138-I141 HydrophobicContact CB-CG1 4.13Å; H138-I160 PolarHBondContact NE2-O 2.9Å; H138-D161 PolarHBondContact CE1-O 3.12Å; H138-F162 AromaticContact CD2-CD1 3.94Å; H138-F162 AromaticContact NE2-CD1 3.98Å; H138-M164 CarbonylContact O-C 3.5Å; H138-M164 VanDerWaalsContact O-C 3.24Å; H138-T165 PolarHBondContact O-N 3.01Å; H138-D206 PolarHBondContact N-OD2 3.47Å
139	R	94.5	Very high	94.7	Very high	35 Å²	35	21.9 Å²	21.9	13%	0.132	10%	0.101	C	C	.	.	S	Bend	trans	58	14.8	-178.3	-49.7	-175.5	-61.1	174.4	-1.9	115.6	I137 M164 K166 G186 L201 D206	I137-R139 HydrophobicContact CB-CG 4.49Å; I137-R139 HydrophobicContact CD1-CG 3.9Å; I137-R139 HydrophobicContact CG1-CG 3.93Å; R139-M164 PolarHBondContact NE-O 3.42Å; R139-M164 PolarHBondContact NH2-O 2.88Å; R139-K166 VanDerWaalsContact CZ-CB 3.48Å; R139-G186 WeakPolarHBondContact O-CA 3.21Å; R139-G186 PolarHBondContact O-N 3.3Å; R139-L201 HydrophobicContact CB-CD1 4.25Å; R139-L201 HydrophobicContact CG-CD1 4.13Å; R139-D206 WeakPolarHBondContact CA-OD1 3.33Å; R139-D206 PolarHBondContact N-OD1 2.65Å
140	D	95.6	Very high	94.3	Very high	6 Å²	6	23 Å²	23	3%	0.032	11%	0.111	C	C	.	.			trans	-156.4	54.3	176.1	-166.3	33.2	0	0	0	112	H138 K142 N145 M164 G186 T187	H138-D140 PolarHBondContact O-N 2.65Å; H138-D140 VanDerWaalsContact O-N 3.1Å; D140-K142 PolarHBondContact O-N 2.88Å; D140-K142 IonicContact OD2-NZ 3.36Å; D140-K142 PolarHBondContact OD2-NZ 2.94Å; D140-N145 PolarHBondContact O-ND2 2.77Å; D140-M164 HydrophobicContact CB-CB 3.91Å; D140-M164 HydrophobicContact CB-CG 4.12Å; D140-G186 WeakPolarHBondContact OD1-CA 3.25Å; D140-T187 VanDerWaalsContact OD1-CB 3.29Å; D140-T187 WeakPolarHBondContact OD1-CB 3.41Å; D140-T187 PolarHBondContact OD1-N 3.3Å; D140-T187 PolarHBondContact OD1-OG1 3.29Å
141	I	97.6	Very high	93.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.132	C	C	.	.			trans	-77.2	119	176.3	-60.6	-61	0	0	0	109.5	V128 H138 F146 L159 Y190 D206 L210 V213	V128-I141 HydrophobicContact CG2-CD1 3.81Å; V128-I141 HydrophobicContact CG2-CG1 4.34Å; H138-I141 HydrophobicContact CB-CD1 3.59Å; H138-I141 HydrophobicContact CB-CG1 4.13Å; I141-F146 HydrophobicContact CD1-CZ 4.42Å; I141-F146 HydrophobicContact CG2-CE2 3.59Å; I141-F146 HydrophobicContact CG2-CZ 3.81Å; I141-L159 HydrophobicContact CD1-CD1 3.85Å; I141-Y190 WeakPolarHBondContact O-CB 3.44Å; I141-D206 HydrophobicContact CG1-CB 3.89Å; I141-L210 HydrophobicContact CG2-CB 4.05Å; I141-V213 HydrophobicContact CG2-CG2 4.4Å
142	K	96.2	Very high	92.7	Very high	25 Å²	25	30.3 Å²	30.3	11%	0.109	16%	0.162	C	C	.	.			trans	-154.8	162.8	-174.1	65.4	-171.3	-167.8	-131.8	0	111.2	D140 E144 N145 D161 T187 Y190	D140-K142 PolarHBondContact O-N 2.88Å; D140-K142 IonicContact OD2-NZ 3.36Å; D140-K142 PolarHBondContact OD2-NZ 2.94Å; K142-E144 WeakPolarHBondContact CB-OE2 3.24Å; K142-E144 HydrophobicContact CD-CB 4.43Å; K142-E144 WeakPolarHBondContact CD-OE2 3.47Å; K142-E144 HydrophobicContact CG-CB 4.23Å; K142-E144 VanDerWaalsContact CG-OE2 3.23Å; K142-E144 WeakPolarHBondContact CG-OE2 3.49Å; K142-E144 PolarHBondContact O-N 3.21Å; K142-N145 VanDerWaalsContact CE-CG 3.45Å; K142-N145 WeakPolarHBondContact CE-ND2 3.43Å; K142-N145 WeakPolarHBondContact CE-OD1 3.4Å; K142-N145 HydrophobicContact CG-CB 3.93Å; K142-N145 PolarHBondContact NZ-ND2 2.66Å; K142-N145 PolarHBondContact NZ-OD1 3.27Å; K142-N145 PolarHBondContact O-N 2.83Å; K142-D161 IonicContact NZ-OD2 2.73Å; K142-D161 PolarHBondContact NZ-OD2 3.04Å; K142-T187 HydrophobicContact CD-CG2 4.49Å; K142-T187 VanDerWaalsContact CD-OG1 3.28Å; K142-T187 WeakPolarHBondContact CD-OG1 3.34Å; K142-Y190 HydrophobicContact CB-CD2 3.46Å; K142-Y190 VanDerWaalsContact CB-CD2 3.46Å; K142-Y190 HydrophobicContact CB-CE2 3.74Å; K142-Y190 HydrophobicContact CB-CG 4.28Å
143	P	96.4	Very high	92	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-63.6	-24.2	-176.3	-22	35.3	0	0	0	114.3	I100 R101 N145 Y190 V213	I100-P143 HydrophobicContact CB-CB 4.09Å; I100-P143 WeakPolarHBondContact CB-O 3.49Å; I100-P143 HydrophobicContact CG2-CB 4.04Å; I100-P143 PolarHBondContact N-O 3.02Å; R101-P143 HydrophobicContact CB-CB 4.22Å; R101-P143 PolarHBondContact N-O 3.23Å; P143-N145 VanDerWaalsContact C-N 3.33Å; P143-Y190 VanDerWaalsContact CD-CE2 3.47Å; P143-Y190 HydrophobicContact CG-CE1 4.26Å; P143-Y190 HydrophobicContact CG-CE2 4.42Å; P143-V213 HydrophobicContact CG-CG1 4.24Å; P143-V213 HydrophobicContact CG-CG2 4.25Å
144	E	94.8	Very high	91.6	Very high	60 Å²	60	30.3 Å²	30.3	28%	0.28	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-70.5	-29.4	173.8	-58.6	78.6	-175.3	0	0	112.3	T99 R101 K142 F146	T99-E144 WeakPolarHBondContact CG2-O 3.49Å; R101-E144 HydrophobicContact CB-CG 3.97Å; R101-E144 HydrophobicContact CG-CG 4.14Å; R101-E144 IonicContact CZ-OE1 3.03Å; R101-E144 IonicContact NE-OE1 3.73Å; R101-E144 PolarHBondContact NE-OE1 3.1Å; R101-E144 IonicContact NH2-OE1 2.66Å; R101-E144 PolarHBondContact NH2-OE1 2.72Å; R101-E144 IonicContact NH2-OE2 3.22Å; K142-E144 WeakPolarHBondContact CB-OE2 3.24Å; K142-E144 HydrophobicContact CD-CB 4.43Å; K142-E144 WeakPolarHBondContact CD-OE2 3.47Å; K142-E144 HydrophobicContact CG-CB 4.23Å; K142-E144 VanDerWaalsContact CG-OE2 3.23Å; K142-E144 WeakPolarHBondContact CG-OE2 3.49Å; K142-E144 PolarHBondContact O-N 3.21Å; E144-F146 VanDerWaalsContact C-N 3.3Å; E144-F146 PolarHBondContact O-N 3.03Å
145	N	96.1	Very high	91.3	Very high	5 Å²	5	36.7 Å²	36.7	3%	0.027	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-89.5	6.5	-175	-73.5	1.5	0	0	0	113.4	D140 K142 P143 L159 I160 D161	D140-N145 PolarHBondContact O-ND2 2.77Å; K142-N145 VanDerWaalsContact CE-CG 3.45Å; K142-N145 WeakPolarHBondContact CE-ND2 3.43Å; K142-N145 WeakPolarHBondContact CE-OD1 3.4Å; K142-N145 HydrophobicContact CG-CB 3.93Å; K142-N145 PolarHBondContact NZ-ND2 2.66Å; K142-N145 PolarHBondContact NZ-OD1 3.27Å; K142-N145 PolarHBondContact O-N 2.83Å; P143-N145 VanDerWaalsContact C-N 3.33Å; N145-L159 WeakPolarHBondContact O-CA 3.49Å; N145-I160 WeakPolarHBondContact CB-O 3.13Å; N145-I160 PolarHBondContact O-N 3.44Å; N145-D161 WeakPolarHBondContact OD1-CB 3.48Å
146	F	97.5	Very high	91.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	113.1	170.7	-70.2	-64.8	0	0	0	110.5	T99 I100 C124 A127 V128 I141 E144 I157 Y158 L159 L210 V213	T99-F146 CarbonylContact C-O 3.56Å; T99-F146 WeakPolarHBondContact CA-O 3.36Å; I100-F146 HydrophobicContact CD1-CB 3.51Å; I100-F146 HydrophobicContact CD1-CD2 4.05Å; I100-F146 HydrophobicContact CD1-CG 4.06Å; I100-F146 HydrophobicContact CG1-CB 3.84Å; I100-F146 PolarHBondContact N-O 3.44Å; C124-F146 HydrophobicContact CB-CD1 4.08Å; C124-F146 HydrophobicContact CB-CD2 4.35Å; C124-F146 HydrophobicContact CB-CE1 3.62Å; C124-F146 HydrophobicContact CB-CE2 3.91Å; C124-F146 HydrophobicContact CB-CG 4.43Å; C124-F146 HydrophobicContact CB-CZ 3.53Å; A127-F146 HydrophobicContact CB-CE1 4.47Å; V128-F146 HydrophobicContact CG2-CZ 4.19Å; I141-F146 HydrophobicContact CD1-CZ 4.42Å; I141-F146 HydrophobicContact CG2-CE2 3.59Å; I141-F146 HydrophobicContact CG2-CZ 3.81Å; E144-F146 VanDerWaalsContact C-N 3.3Å; E144-F146 PolarHBondContact O-N 3.03Å; F146-I157 HydrophobicContact CB-CG2 3.92Å; F146-I157 HydrophobicContact CD1-CG2 3.92Å; F146-I157 HydrophobicContact CG-CG2 4.3Å; F146-Y158 WeakPolarHBondContact CA-O 3.5Å; F146-L159 HydrophobicContact CD1-CD1 4.11Å; F146-L159 HydrophobicContact CE1-CD1 3.72Å; F146-L159 HydrophobicContact CZ-CD1 4.22Å; F146-L210 HydrophobicContact CE2-CD1 4.02Å; F146-L210 HydrophobicContact CZ-CD1 4.09Å; F146-V213 HydrophobicContact CD2-CG1 4.44Å; F146-V213 HydrophobicContact CE2-CG1 4.43Å
147	A	96.7	Very high	91.2	Very high	2 Å²	2	37.7 Å²	37.7	2%	0.017	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	142.3	-179.8	0	0	0	0	0	112.4	L96 T99 I157 Y158 I160	L96-A147 HydrophobicContact CB-CB 4.03Å; L96-A147 HydrophobicContact CD1-CB 3.96Å; T99-A147 HydrophobicContact CG2-CB 4.47Å; A147-I157 CarbonylContact O-C 3.6Å; A147-I157 WeakPolarHBondContact O-CA 3.46Å; A147-Y158 PolarHBondContact N-O 3.37Å; A147-Y158 PolarHBondContact O-N 3.4Å; A147-I160 HydrophobicContact CB-CD1 4.17Å
148	F	95	Very high	91.3	Very high	34 Å²	34	37.7 Å²	37.7	15%	0.149	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	150.4	170.1	-72.2	-91.2	0	0	0	110.5	G97 P98 I100 I103 I120 R156 I157	G97-F148 WeakPolarHBondContact CA-O 3.42Å; G97-F148 PolarHBondContact N-O 3.33Å; P98-F148 WeakPolarHBondContact O-CD2 3.3Å; P98-F148 PolarHBondContact O-N 3.37Å; I100-F148 HydrophobicContact CG1-CE2 4.3Å; I103-F148 HydrophobicContact CG1-CD2 4.38Å; I103-F148 HydrophobicContact CG1-CE2 4.02Å; I120-F148 HydrophobicContact CD1-CZ 4.13Å; I120-F148 HydrophobicContact CG1-CZ 4.09Å; F148-R156 CarbonylContact C-O 3.48Å; F148-R156 WeakPolarHBondContact CA-O 3.3Å; F148-I157 HydrophobicContact CD1-CD1 4.48Å; F148-I157 HydrophobicContact CD1-CG1 3.83Å; F148-I157 HydrophobicContact CE1-CD1 3.82Å; F148-I157 HydrophobicContact CE1-CG1 3.64Å; F148-I157 HydrophobicContact CE2-CD1 4.4Å; F148-I157 HydrophobicContact CG-CG1 4.37Å; F148-I157 HydrophobicContact CZ-CD1 3.78Å; F148-I157 HydrophobicContact CZ-CG1 4.02Å
149	G	89.8	Confident	91.4	Very high	3 Å²	3	37.7 Å²	37.7	3%	0.031	19%	0.191	C	C	.	.			trans	-66.5	175.3	173.1	0	0	0	0	0	113.7	K153 C154 R156	G149-K153 WeakPolarHBondContact CA-O 3.37Å; G149-C154 WeakPolarHBondContact O-CA 3.15Å; G149-R156 PolarHBondContact N-O 3.08Å
150	M	87.4	Confident	91.4	Very high	98 Å²	98	37.9 Å²	37.9	48%	0.483	19%	0.194	S	C	.	.	S	Bend	trans	-104.2	162	169.2	-70.5	-69	-83.9	0	0	110.8	L95 D152 K153	L95-M150 WeakPolarHBondContact O-CG 3.46Å; M150-D152 PolarHBondContact O-N 3.14Å; M150-K153 WeakPolarHBondContact O-CA 3.26Å; M150-K153 WeakPolarHBondContact O-CB 3.43Å; M150-K153 PolarHBondContact O-N 3.09Å
151	G	81.5	Confident	91.2	Very high	53 Å²	53	39.1 Å²	39.1	55%	0.546	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	59.1	-134	174.6	0	0	0	0	0	114	K153 C154	G151-K153 PolarHBondContact O-N 2.84Å; G151-C154 WeakPolarHBondContact O-CB 3.3Å; G151-C154 PolarHBondContact O-N 2.92Å; G151-C154 PolarHBondContact O-SG 3.48Å
152	D	76.7	Confident	90.9	Very high	118 Å²	118	39.1 Å²	39.1	63%	0.631	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-54.9	-32.4	173.5	66.3	-56.8	0	0	0	112.4	M150 C154	M150-D152 PolarHBondContact O-N 3.14Å; D152-C154 VanDerWaalsContact C-N 3.26Å; D152-C154 PolarHBondContact O-N 2.68Å
153	K	80.1	Confident	90.4	Very high	60 Å²	60	38.6 Å²	38.6	26%	0.261	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-79.7	1.8	179.3	-44.4	-174.7	-163	170.3	0	113.7	E94 G149 M150 G151 R155 R156 Y158	E94-K153 IonicContact OE1-NZ 2.74Å; E94-K153 PolarHBondContact OE1-NZ 2.89Å; E94-K153 IonicContact OE2-NZ 3.35Å; G149-K153 WeakPolarHBondContact CA-O 3.37Å; M150-K153 WeakPolarHBondContact O-CA 3.26Å; M150-K153 WeakPolarHBondContact O-CB 3.43Å; M150-K153 PolarHBondContact O-N 3.09Å; G151-K153 PolarHBondContact O-N 2.84Å; K153-R155 PolarHBondContact O-N 3.33Å; K153-R156 WeakPolarHBondContact O-CA 3.39Å; K153-R156 VanDerWaalsContact O-CB 3.26Å; K153-R156 WeakPolarHBondContact O-CB 3.41Å; K153-R156 PolarHBondContact O-N 2.98Å; K153-Y158 WeakPolarHBondContact CD-OH 3.35Å
154	C	84.5	Confident	90	Very high	68 Å²	68	40.2 Å²	40.2	46%	0.459	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-58.3	-18.1	-177	65.8	0	0	0	0	115.8	G149 G151 D152	G149-C154 WeakPolarHBondContact O-CA 3.15Å; G151-C154 WeakPolarHBondContact O-CB 3.3Å; G151-C154 PolarHBondContact O-N 2.92Å; G151-C154 PolarHBondContact O-SG 3.48Å; D152-C154 VanDerWaalsContact C-N 3.26Å; D152-C154 PolarHBondContact O-N 2.68Å
155	R	82.7	Confident	89.8	Confident	157 Å²	157	37.4 Å²	37.4	59%	0.592	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-87.9	-6.8	174.4	-65.4	176.8	174.3	-165.8	-8.5	113.7	Q123 K153	Q123-R155 PolarHBondContact NE2-O 2.95Å; Q123-R155 PolarHBondContact OE1-O 2.89Å; K153-R155 PolarHBondContact O-N 3.33Å
156	R	87.4	Confident	89.4	Confident	66 Å²	66	37.9 Å²	37.9	25%	0.249	20%	0.199	C	C	.	.			trans	-96.1	136.5	-178.5	-160.5	-169.9	-55.6	-169.9	0.7	110.3	R74 F148 G149 K153 Y158	R74-R156 WeakPolarHBondContact O-CD 3.36Å; R74-R156 PolarHBondContact O-NH1 2.91Å; F148-R156 CarbonylContact C-O 3.48Å; F148-R156 WeakPolarHBondContact CA-O 3.3Å; G149-R156 PolarHBondContact N-O 3.08Å; K153-R156 WeakPolarHBondContact O-CA 3.39Å; K153-R156 VanDerWaalsContact O-CB 3.26Å; K153-R156 WeakPolarHBondContact O-CB 3.41Å; K153-R156 PolarHBondContact O-N 2.98Å; R156-Y158 HydrophobicContact CB-CE2 4.16Å; R156-Y158 HydrophobicContact CG-CE2 4.29Å
157	I	94.3	Very high	88.9	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	145.2	169.8	-63	-179.4	0	0	0	110.1	H75 I120 Q123 F146 A147 F148	H75-I157 PolarHBondContact ND1-O 2.83Å; I120-I157 HydrophobicContact CB-CD1 4.14Å; I120-I157 HydrophobicContact CG1-CD1 4.23Å; I120-I157 HydrophobicContact CG2-CD1 3.63Å; Q123-I157 HydrophobicContact CB-CB 3.91Å; Q123-I157 HydrophobicContact CB-CD1 4.23Å; Q123-I157 HydrophobicContact CB-CG1 4.27Å; Q123-I157 VanDerWaalsContact OE1-N 3.08Å; F146-I157 HydrophobicContact CB-CG2 3.92Å; F146-I157 HydrophobicContact CD1-CG2 3.92Å; F146-I157 HydrophobicContact CG-CG2 4.3Å; A147-I157 CarbonylContact O-C 3.6Å; A147-I157 WeakPolarHBondContact O-CA 3.46Å; F148-I157 HydrophobicContact CD1-CD1 4.48Å; F148-I157 HydrophobicContact CD1-CG1 3.83Å; F148-I157 HydrophobicContact CE1-CD1 3.82Å; F148-I157 HydrophobicContact CE1-CG1 3.64Å; F148-I157 HydrophobicContact CE2-CD1 4.4Å; F148-I157 HydrophobicContact CG-CG1 4.37Å; F148-I157 HydrophobicContact CZ-CD1 3.78Å; F148-I157 HydrophobicContact CZ-CG1 4.02Å
158	Y	97.5	Very high	88.5	Confident	2 Å²	2	39.6 Å²	39.6	1%	0.008	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	150.2	179.6	-72.6	-104.5	0	0	0	110	H75 C76 P77 E94 L96 F146 A147 K153 R156	H75-Y158 VanDerWaalsContact O-CA 3.24Å; H75-Y158 WeakPolarHBondContact O-CA 3.47Å; C76-Y158 WeakPolarHBondContact O-CD1 3.39Å; C76-Y158 VanDerWaalsContact O-CE1 3.26Å; C76-Y158 WeakPolarHBondContact O-CE1 3.38Å; P77-Y158 HydrophobicContact CB-CD1 4.38Å; P77-Y158 HydrophobicContact CG-CD1 4.33Å; E94-Y158 PolarHBondContact OE2-OH 2.96Å; L96-Y158 HydrophobicContact CD1-CD1 4.2Å; L96-Y158 HydrophobicContact CD1-CD2 4.43Å; L96-Y158 HydrophobicContact CD1-CG 3.87Å; L96-Y158 HydrophobicContact CD2-CD1 3.97Å; L96-Y158 HydrophobicContact CD2-CD2 3.71Å; L96-Y158 HydrophobicContact CD2-CE1 4.01Å; L96-Y158 HydrophobicContact CD2-CE2 3.79Å; L96-Y158 HydrophobicContact CD2-CG 3.79Å; F146-Y158 WeakPolarHBondContact CA-O 3.5Å; A147-Y158 PolarHBondContact N-O 3.37Å; A147-Y158 PolarHBondContact O-N 3.4Å; K153-Y158 WeakPolarHBondContact CD-OH 3.35Å; R156-Y158 HydrophobicContact CB-CE2 4.16Å; R156-Y158 HydrophobicContact CG-CE2 4.29Å
159	L	97.7	Very high	88.1	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	133	174.1	-178.6	59.5	0	0	0	109.1	F70 H75 P77 A127 L131 I141 N145 F146 F162	F70-L159 HydrophobicContact CE1-CB 4.19Å; F70-L159 HydrophobicContact CE1-CD2 4.49Å; F70-L159 HydrophobicContact CZ-CB 4.42Å; F70-L159 HydrophobicContact CZ-CD2 4.34Å; H75-L159 PolarHBondContact O-N 3.01Å; P77-L159 WeakPolarHBondContact CD-O 3.26Å; A127-L159 HydrophobicContact CB-CB 4Å; A127-L159 HydrophobicContact CB-CD2 4.37Å; L131-L159 HydrophobicContact CB-CD2 4.42Å; L131-L159 HydrophobicContact CD2-CD2 3.93Å; I141-L159 HydrophobicContact CD1-CD1 3.85Å; N145-L159 WeakPolarHBondContact O-CA 3.49Å; F146-L159 HydrophobicContact CD1-CD1 4.11Å; F146-L159 HydrophobicContact CE1-CD1 3.72Å; F146-L159 HydrophobicContact CZ-CD1 4.22Å; L159-F162 HydrophobicContact CB-CZ 4.47Å; L159-F162 HydrophobicContact CD2-CE1 4.23Å; L159-F162 HydrophobicContact CG-CE1 3.99Å; L159-F162 HydrophobicContact CG-CZ 4.35Å; L159-F162 WeakPolarHBondContact O-CZ 3.48Å
160	I	94.1	Very high	87.4	Confident	39 Å²	39	42.2 Å²	42.2	20%	0.2	22%	0.215	C	C	.	.			trans	-137.4	168.4	-174.1	67.7	171.2	0	0	0	112.2	P77 L96 H138 N145 A147	P77-I160 HydrophobicContact CG-CG2 3.74Å; L96-I160 HydrophobicContact CD1-CG2 3.73Å; H138-I160 PolarHBondContact NE2-O 2.9Å; N145-I160 WeakPolarHBondContact CB-O 3.13Å; N145-I160 PolarHBondContact O-N 3.44Å; A147-I160 HydrophobicContact CB-CD1 4.17Å
161	D	91.6	Very high	86.8	Confident	31 Å²	31	42.8 Å²	42.8	17%	0.166	22%	0.215	C	C	.	.			trans	67.9	59	179	-164.7	30.9	0	0	0	113.6	K46 H138 K142 N145 G163	K46-D161 IonicContact NZ-OD1 3.66Å; K46-D161 PolarHBondContact NZ-OD1 3.49Å; H138-D161 PolarHBondContact CE1-O 3.12Å; K142-D161 IonicContact NZ-OD2 2.73Å; K142-D161 PolarHBondContact NZ-OD2 3.04Å; N145-D161 WeakPolarHBondContact OD1-CB 3.48Å; D161-G163 PolarHBondContact O-N 3.39Å
162	F	91.7	Very high	86.5	Confident	1 Å²	1	44.8 Å²	44.8	0%	0.004	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-73.1	3.8	-175.4	-60.1	-76.2	0	0	0	114.1	E63 V66 M67 F70 L131 H138 L159 M164 T165	E63-F162 HydrophobicContact CB-CB 4.29Å; E63-F162 HydrophobicContact CG-CB 3.89Å; E63-F162 PolarHBondContact OE2-N 3.38Å; E63-F162 VanDerWaalsContact OE2-N 3.12Å; V66-F162 HydrophobicContact CB-CB 4.08Å; V66-F162 HydrophobicContact CB-CG 4.34Å; V66-F162 HydrophobicContact CG1-CB 3.86Å; V66-F162 HydrophobicContact CG1-CD1 3.54Å; V66-F162 HydrophobicContact CG1-CE1 4.22Å; V66-F162 HydrophobicContact CG1-CG 3.72Å; M67-F162 HydrophobicContact CG-CD2 3.54Å; M67-F162 HydrophobicContact CG-CE2 3.58Å; M67-F162 HydrophobicContact SD-CD2 4.27Å; M67-F162 HydrophobicContact SD-CE2 4.37Å; F70-F162 AromaticContact CD1-CE1 3.84Å; F70-F162 HydrophobicContact CD1-CE1 3.84Å; F70-F162 HydrophobicContact CD1-CE2 4.47Å; F70-F162 AromaticContact CD1-CZ 3.51Å; F70-F162 HydrophobicContact CD1-CZ 3.51Å; F70-F162 HydrophobicContact CE1-CE1 4.01Å; F70-F162 AromaticContact CE1-CZ 3.68Å; F70-F162 HydrophobicContact CE1-CZ 3.68Å; L131-F162 HydrophobicContact CD1-CD1 4.46Å; L131-F162 HydrophobicContact CD1-CE1 4.23Å; L131-F162 HydrophobicContact CD2-CE1 4.4Å; H138-F162 AromaticContact CD2-CD1 3.94Å; H138-F162 AromaticContact NE2-CD1 3.98Å; L159-F162 HydrophobicContact CB-CZ 4.47Å; L159-F162 HydrophobicContact CD2-CE1 4.23Å; L159-F162 HydrophobicContact CG-CE1 3.99Å; L159-F162 HydrophobicContact CG-CZ 4.35Å; L159-F162 WeakPolarHBondContact O-CZ 3.48Å; F162-M164 PolarHBondContact O-N 2.96Å; F162-M164 VanDerWaalsContact O-N 3.08Å; F162-T165 WeakPolarHBondContact CA-OG1 3.45Å; F162-T165 WeakPolarHBondContact O-CB 3.44Å; F162-T165 PolarHBondContact O-N 3.17Å; F162-T165 PolarHBondContact O-OG1 3.45Å
163	G	84.6	Confident	86.3	Confident	13 Å²	13	40.4 Å²	40.4	13%	0.134	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-59.2	-27.9	-170.9	0	0	0	0	0	114.1	E63 D161	E63-G163 VanDerWaalsContact CG-N 3.3Å; D161-G163 PolarHBondContact O-N 3.39Å
164	M	87.6	Confident	86.4	Confident	34 Å²	34	45.1 Å²	45.1	17%	0.167	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-88.1	-3.4	176.6	-67.6	-67.8	-84.1	0	0	114.2	F28 H138 R139 D140 F162 R185	F28-M164 HydrophobicContact CE1-SD 4.48Å; F28-M164 HydrophobicContact CE2-CG 4.29Å; F28-M164 HydrophobicContact CZ-CG 4.1Å; F28-M164 HydrophobicContact CZ-SD 3.85Å; H138-M164 CarbonylContact O-C 3.5Å; H138-M164 VanDerWaalsContact O-C 3.24Å; R139-M164 PolarHBondContact NE-O 3.42Å; R139-M164 PolarHBondContact NH2-O 2.88Å; D140-M164 HydrophobicContact CB-CB 3.91Å; D140-M164 HydrophobicContact CB-CG 4.12Å; F162-M164 PolarHBondContact O-N 2.96Å; F162-M164 VanDerWaalsContact O-N 3.08Å; M164-R185 HydrophobicContact CE-CB 4.1Å; M164-R185 HydrophobicContact CE-CG 4.47Å
165	T	91.2	Very high	86.2	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.012	21%	0.205	C	C	.	.			trans	-61.9	150.3	-175	-56.5	0	0	0	0	112.2	W62 V66 F136 I137 H138 F162	W62-T165 PolarHBondContact NE1-O 3.38Å; V66-T165 HydrophobicContact CB-CG2 4.48Å; V66-T165 HydrophobicContact CG1-CG2 3.89Å; V66-T165 HydrophobicContact CG2-CG2 3.7Å; F136-T165 HydrophobicContact CB-CG2 3.66Å; F136-T165 HydrophobicContact CD1-CG2 3.83Å; F136-T165 HydrophobicContact CG-CG2 4.09Å; I137-T165 CarbonylContact O-C 3.58Å; I137-T165 WeakPolarHBondContact O-CA 3.13Å; I137-T165 VanDerWaalsContact O-CG2 3.25Å; I137-T165 WeakPolarHBondContact O-CG2 3.1Å; H138-T165 PolarHBondContact O-N 3.01Å; F162-T165 WeakPolarHBondContact CA-OG1 3.45Å; F162-T165 WeakPolarHBondContact O-CB 3.44Å; F162-T165 PolarHBondContact O-N 3.17Å; F162-T165 PolarHBondContact O-OG1 3.45Å
166	K	87.4	Confident	85.9	Confident	15 Å²	15	39.2 Å²	39.2	7%	0.065	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	139.4	171.4	168.3	170.2	175.5	-176.2	0	110.1	F136 I137 R139 E200	F136-K166 CarbonylContact C-O 3.43Å; F136-K166 WeakPolarHBondContact CA-O 3.41Å; I137-K166 HydrophobicContact CG1-CB 4.33Å; I137-K166 WeakPolarHBondContact CG1-O 3.35Å; I137-K166 PolarHBondContact N-O 3.08Å; I137-K166 PolarHBondContact O-N 3.41Å; R139-K166 VanDerWaalsContact CZ-CB 3.48Å; K166-E200 IonicContact NZ-OE1 2.68Å; K166-E200 PolarHBondContact NZ-OE1 3.49Å; K166-E200 IonicContact NZ-OE2 3.78Å; K166-E200 PolarHBondContact NZ-OE2 2.81Å
167	R	88.1	Confident	85.1	Confident	21 Å²	21	40.4 Å²	40.4	8%	0.079	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	130.2	165.3	-177.6	174.8	-92.1	152.4	7	108.1	Y65 H135 F136 R169 L176	Y65-R167 VanDerWaalsContact OH-CZ 3.25Å; Y65-R167 PolarHBondContact OH-NH1 3.44Å; Y65-R167 PolarHBondContact OH-NH2 3.05Å; H135-R167 WeakPolarHBondContact O-CA 3.45Å; H135-R167 WeakPolarHBondContact O-CG 3.45Å; F136-R167 HydrophobicContact CD1-CB 3.85Å; F136-R167 HydrophobicContact CE1-CB 3.78Å; F136-R167 HydrophobicContact CE1-CG 4.48Å; R167-R169 WeakPolarHBondContact CD-O 3.45Å; R167-R169 WeakPolarHBondContact CG-O 3.39Å; R167-L176 HydrophobicContact CB-CD1 4.03Å; R167-L176 HydrophobicContact CG-CD1 3.67Å; R167-L176 VanDerWaalsContact O-CD1 3.24Å; R167-L176 WeakPolarHBondContact O-CD1 3.48Å
168	Y	87.6	Confident	84.2	Confident	17 Å²	17	45.9 Å²	45.9	7%	0.067	23%	0.229	C	C	.	.			trans	-113.9	-11.3	-179.5	79.3	-70	0	0	0	113.3	H132 H135 I137 L175 L176 A203	H132-Y168 PolarHBondContact O-OH 3.45Å; H132-Y168 VanDerWaalsContact O-OH 3.14Å; H135-Y168 VanDerWaalsContact C-CD1 3.48Å; H135-Y168 VanDerWaalsContact C-CE1 3.49Å; H135-Y168 WeakPolarHBondContact O-CD1 3.33Å; H135-Y168 PolarHBondContact O-N 3.22Å; I137-Y168 HydrophobicContact CG2-CD1 3.72Å; I137-Y168 HydrophobicContact CG2-CE1 4.05Å; I137-Y168 HydrophobicContact CG2-CG 4.03Å; Y168-L175 HydrophobicContact CD2-CD2 4.29Å; Y168-L176 PolarHBondContact O-N 2.94Å; Y168-A203 HydrophobicContact CE2-CB 4.44Å
169	R	86.1	Confident	82.8	Confident	29 Å²	29	48.9 Å²	48.9	11%	0.109	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-136.7	150.7	174.3	-69.8	174.4	-173.4	-80.4	-7.8	111.3	H135 R167 G173 R174 L175 D266	H135-R169 HydrophobicContact CB-CB 4.07Å; H135-R169 WeakPolarHBondContact CB-O 3.36Å; R167-R169 WeakPolarHBondContact CD-O 3.45Å; R167-R169 WeakPolarHBondContact CG-O 3.39Å; R169-G173 WeakPolarHBondContact CD-O 3.46Å; R169-G173 PolarHBondContact NH1-O 2.73Å; R169-R174 CarbonylContact C-O 3.45Å; R169-R174 WeakPolarHBondContact CA-O 3.42Å; R169-R174 VanDerWaalsContact CB-O 3.28Å; R169-R174 WeakPolarHBondContact CB-O 3.28Å; R169-L175 HydrophobicContact CG-CD2 3.99Å; R169-L175 HydrophobicContact CG-CG 4.47Å; R169-D266 PolarHBondContact NH2-O 2.92Å
170	F	76.3	Confident	81.2	Confident	63 Å²	63	59.6 Å²	59.6	28%	0.276	29%	0.286	S	S	.	.			trans	-65.2	163.4	163.8	-64.3	-83.7	0	0	0	110.5	H135 D172 G173 R174 L176	H135-F170 PolarHBondContact CD2-O 3.15Å; F170-D172 WeakPolarHBondContact CB-OD1 3.49Å; F170-D172 PolarHBondContact O-N 3.11Å; F170-D172 VanDerWaalsContact O-N 3.1Å; F170-G173 PolarHBondContact O-N 3.36Å; F170-R174 HydrophobicContact CD2-CB 4.01Å; F170-R174 PolarHBondContact N-O 2.98Å; F170-L176 HydrophobicContact CD1-CD2 4.23Å; F170-L176 HydrophobicContact CD2-CD2 4.26Å; F170-L176 HydrophobicContact CD2-CG 4.32Å; F170-L176 HydrophobicContact CE1-CD2 3.69Å; F170-L176 HydrophobicContact CE2-CD2 3.73Å; F170-L176 HydrophobicContact CE2-CG 4.14Å; F170-L176 HydrophobicContact CZ-CD2 3.43Å; F170-L176 VanDerWaalsContact CZ-CD2 3.43Å; F170-L176 HydrophobicContact CZ-CG 4.32Å
171	K	74.4	Confident	79.4	Confident	110 Å²	110	63.2 Å²	63.2	48%	0.478	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-15.7	177.4	-60.7	-173.7	-162.9	155.7	0	114	G173 D888	K171-G173 VanDerWaalsContact C-N 3.32Å; K171-D888 WeakPolarHBondContact CD-OD2 3.41Å; K171-D888 WeakPolarHBondContact CE-OD2 3.47Å; K171-D888 IonicContact NZ-OD1 3.62Å; K171-D888 IonicContact NZ-OD2 3.16Å; K171-D888 PolarHBondContact NZ-OD2 3.18Å
172	D	74.4	Confident	78.2	Confident	94 Å²	94	62.4 Å²	62.4	50%	0.503	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	5.2	172.8	66	26.3	0	0	0	113.8	F170 R174	F170-D172 WeakPolarHBondContact CB-OD1 3.49Å; F170-D172 PolarHBondContact O-N 3.11Å; F170-D172 VanDerWaalsContact O-N 3.1Å; D172-R174 VanDerWaalsContact C-N 3.33Å; D172-R174 VanDerWaalsContact CG-NE 3.32Å; D172-R174 PolarHBondContact O-N 3.13Å; D172-R174 WeakPolarHBondContact OD1-CB 3.1Å; D172-R174 VanDerWaalsContact OD1-CG 3.26Å; D172-R174 WeakPolarHBondContact OD1-CG 3.45Å; D172-R174 PolarHBondContact OD1-N 3.3Å; D172-R174 IonicContact OD1-NE 3.68Å; D172-R174 PolarHBondContact OD1-NE 3.45Å; D172-R174 VanDerWaalsContact OD1-NE 3.16Å; D172-R174 IonicContact OD2-CZ 2.72Å; D172-R174 IonicContact OD2-NE 2.82Å; D172-R174 PolarHBondContact OD2-NE 2.9Å; D172-R174 IonicContact OD2-NH2 3.76Å; D172-R174 PolarHBondContact OD2-NH2 2.89Å
173	G	73.8	Confident	77.6	Confident	27 Å²	27	63.2 Å²	63.2	28%	0.278	31%	0.311	S	S	.	.	S	Bend	trans	83.9	-8.9	178.4	0	0	0	0	0	115.6	R169 F170 K171	R169-G173 WeakPolarHBondContact CD-O 3.46Å; R169-G173 PolarHBondContact NH1-O 2.73Å; F170-G173 PolarHBondContact O-N 3.36Å; K171-G173 VanDerWaalsContact C-N 3.32Å
174	R	80.8	Confident	77.7	Confident	158 Å²	158	65.1 Å²	65.1	60%	0.596	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-63.5	144.9	173.6	-67.3	-177.9	-68.6	162.3	-3.7	110.6	R169 F170 D172	R169-R174 CarbonylContact C-O 3.45Å; R169-R174 WeakPolarHBondContact CA-O 3.42Å; R169-R174 VanDerWaalsContact CB-O 3.28Å; R169-R174 WeakPolarHBondContact CB-O 3.28Å; F170-R174 HydrophobicContact CD2-CB 4.01Å; F170-R174 PolarHBondContact N-O 2.98Å; D172-R174 VanDerWaalsContact C-N 3.33Å; D172-R174 VanDerWaalsContact CG-NE 3.32Å; D172-R174 PolarHBondContact O-N 3.13Å; D172-R174 WeakPolarHBondContact OD1-CB 3.1Å; D172-R174 VanDerWaalsContact OD1-CG 3.26Å; D172-R174 WeakPolarHBondContact OD1-CG 3.45Å; D172-R174 PolarHBondContact OD1-N 3.3Å; D172-R174 IonicContact OD1-NE 3.68Å; D172-R174 PolarHBondContact OD1-NE 3.45Å; D172-R174 VanDerWaalsContact OD1-NE 3.16Å; D172-R174 IonicContact OD2-CZ 2.72Å; D172-R174 IonicContact OD2-NE 2.82Å; D172-R174 PolarHBondContact OD2-NE 2.9Å; D172-R174 IonicContact OD2-NH2 3.76Å; D172-R174 PolarHBondContact OD2-NH2 2.89Å
175	L	80.3	Confident	77.5	Confident	60 Å²	60	67.4 Å²	67.4	31%	0.314	32%	0.322	S	S	.	.	B	Isolated β-bridge	trans	-69.1	144.3	176.2	-71.8	156.2	0	0	0	110.8	Y168 R169 D266	Y168-L175 HydrophobicContact CD2-CD2 4.29Å; R169-L175 HydrophobicContact CG-CD2 3.99Å; R169-L175 HydrophobicContact CG-CG 4.47Å; L175-D266 HydrophobicContact CD1-CB 3.75Å
176	L	76.2	Confident	77.3	Confident	42 Å²	42	67.9 Å²	67.9	22%	0.22	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-73.8	152.9	165.3	-81	159.6	0	0	0	110.4	R167 Y168 F170	R167-L176 HydrophobicContact CB-CD1 4.03Å; R167-L176 HydrophobicContact CG-CD1 3.67Å; R167-L176 VanDerWaalsContact O-CD1 3.24Å; R167-L176 WeakPolarHBondContact O-CD1 3.48Å; Y168-L176 PolarHBondContact O-N 2.94Å; F170-L176 HydrophobicContact CD1-CD2 4.23Å; F170-L176 HydrophobicContact CD2-CD2 4.26Å; F170-L176 HydrophobicContact CD2-CG 4.32Å; F170-L176 HydrophobicContact CE1-CD2 3.69Å; F170-L176 HydrophobicContact CE2-CD2 3.73Å; F170-L176 HydrophobicContact CE2-CG 4.14Å; F170-L176 HydrophobicContact CZ-CD2 3.43Å; F170-L176 VanDerWaalsContact CZ-CD2 3.43Å; F170-L176 HydrophobicContact CZ-CG 4.32Å
177	P	71.4	Confident	77.5	Confident	90 Å²	90	69.3 Å²	69.3	58%	0.584	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-57.3	143.2	174	-24.4	34.8	0	0	0	112.7
178	Q	76.1	Confident	77.7	Confident	115 Å²	115	70.4 Å²	70.4	54%	0.537	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-70.3	137.4	174.2	-58.5	180	24.2	0	0	110.6	E200 Y265	Q178-E200 HydrophobicContact CB-CB 4.36Å; Q178-E200 HydrophobicContact CB-CG 4.2Å; Q178-E200 HydrophobicContact CG-CB 4.41Å; Q178-E200 HydrophobicContact CG-CG 4.17Å; Q178-Y265 HydrophobicContact CG-CE2 4.04Å; Q178-Y265 PolarHBondContact NE2-OH 3.22Å
179	R	67.1	Low	78	Confident	65 Å²	65	70.8 Å²	70.8	25%	0.245	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-80.4	144.5	171	-60	-173.2	-174.1	177.9	0.1	111	N182 E200 E865 E866	R179-N182 PolarHBondContact O-ND2 2.84Å; R179-N182 VanDerWaalsContact O-ND2 3.09Å; R179-E200 PolarHBondContact N-OE2 3.05Å; R179-E865 WeakPolarHBondContact CD-OE2 3.29Å; R179-E865 IonicContact CZ-OE2 3.53Å; R179-E865 IonicContact NE-OE2 3.15Å; R179-E865 IonicContact NH1-OE2 3.73Å; R179-E865 PolarHBondContact NH1-OE2 2.98Å; R179-E866 IonicContact CZ-OE1 3.64Å; R179-E866 IonicContact NH2-OE1 3.33Å; R179-E866 PolarHBondContact NH2-OE1 2.82Å
180	K	63.2	Low	78.4	Confident	225 Å²	225	69.5 Å²	69.5	98%	0.978	34%	0.343	S	S	*	.	S	Bend	trans	-78.7	-24.7	-175.8	-69.6	179.4	-179	170.3	0	114.5
181	D	58.2	Low	79.2	Confident	115 Å²	115	66.7 Å²	66.7	62%	0.615	33%	0.332	S	S	*	.			trans	-133.2	133	165.2	-173.5	-3.8	0	0	0	106.9	G183	D181-G183 PolarHBondContact OD1-N 2.64Å
182	N	65.7	Low	80.1	Confident	14 Å²	14	61.6 Å²	61.6	8%	0.075	31%	0.309	C	S	.	.			trans	-116.2	-10.2	178.3	-73.3	-77.7	0	0	0	112.4	R179 R185 E200	R179-N182 PolarHBondContact O-ND2 2.84Å; R179-N182 VanDerWaalsContact O-ND2 3.09Å; N182-R185 PolarHBondContact O-NH1 3.13Å; N182-R185 VanDerWaalsContact O-NH1 3.15Å; N182-R185 PolarHBondContact O-NH2 3.02Å; N182-E200 PolarHBondContact OD1-OE1 3.19Å
183	G	78.2	Confident	80.9	Confident	19 Å²	19	59.3 Å²	59.3	20%	0.196	30%	0.296	C	S	.	.			trans	56	-167.8	-165.5	0	0	0	0	0	113.5	D181 R198	D181-G183 PolarHBondContact OD1-N 2.64Å; G183-R198 WeakPolarHBondContact O-CA 3.37Å; G183-R198 WeakPolarHBondContact O-CB 3.21Å
184	F	86.5	Confident	81.7	Confident	53 Å²	53	60.3 Å²	60.3	23%	0.232	29%	0.291	C	S	.	.			trans	-82.8	143.7	166.7	-177.7	-102.1	0	0	0	109.9	G186 I188 A191 A195 H196 V230	F184-G186 WeakPolarHBondContact CE1-O 3.45Å; F184-I188 HydrophobicContact CE1-CG1 3.99Å; F184-I188 HydrophobicContact CZ-CG1 4.18Å; F184-A191 HydrophobicContact CE2-CB 3.99Å; F184-A191 HydrophobicContact CZ-CB 3.68Å; F184-A195 VanDerWaalsContact CD2-O 3.28Å; F184-A195 WeakPolarHBondContact CD2-O 3.26Å; F184-A195 HydrophobicContact CE2-CB 4.45Å; F184-H196 AromaticContact CE2-CE1 3.8Å; F184-H196 AromaticContact CE2-CG 3.95Å; F184-H196 AromaticContact CE2-ND1 3.71Å; F184-V230 HydrophobicContact CD2-CG1 4.15Å; F184-V230 HydrophobicContact CE2-CG1 4.17Å
185	R	84.1	Confident	82.2	Confident	81 Å²	81	53 Å²	53	31%	0.306	26%	0.264	S	S	.	.			trans	-142.8	145.5	178	-64.5	-65.5	-178.3	-87.5	-2.1	110.4	M164 N182 L201	M164-R185 HydrophobicContact CE-CB 4.1Å; M164-R185 HydrophobicContact CE-CG 4.47Å; N182-R185 PolarHBondContact O-NH1 3.13Å; N182-R185 VanDerWaalsContact O-NH1 3.15Å; N182-R185 PolarHBondContact O-NH2 3.02Å; R185-L201 HydrophobicContact CB-CD1 4.34Å
186	G	86.6	Confident	82.7	Confident	12 Å²	12	50.4 Å²	50.4	12%	0.124	25%	0.251	C	S	.	.	S	Bend	trans	87.6	173.2	-178.2	0	0	0	0	0	114.4	R139 D140 F184	R139-G186 WeakPolarHBondContact O-CA 3.21Å; R139-G186 PolarHBondContact O-N 3.3Å; D140-G186 WeakPolarHBondContact OD1-CA 3.25Å; F184-G186 WeakPolarHBondContact CE1-O 3.45Å
187	T	91.7	Very high	83.3	Confident	46 Å²	46	54.3 Å²	54.3	28%	0.282	26%	0.262	S	S	.	.			trans	-80.3	126.2	-178.6	-63.8	0	0	0	0	111.1	D140 K142 L189 Y190 A191	D140-T187 VanDerWaalsContact OD1-CB 3.29Å; D140-T187 WeakPolarHBondContact OD1-CB 3.41Å; D140-T187 PolarHBondContact OD1-N 3.3Å; D140-T187 PolarHBondContact OD1-OG1 3.29Å; K142-T187 HydrophobicContact CD-CG2 4.49Å; K142-T187 VanDerWaalsContact CD-OG1 3.28Å; K142-T187 WeakPolarHBondContact CD-OG1 3.34Å; T187-L189 VanDerWaalsContact C-N 3.28Å; T187-L189 PolarHBondContact O-N 3.43Å; T187-Y190 HydrophobicContact CG2-CD2 3.88Å; T187-Y190 HydrophobicContact CG2-CE2 4.15Å; T187-Y190 PolarHBondContact O-N 2.81Å; T187-A191 WeakPolarHBondContact O-CB 3.27Å; T187-A191 PolarHBondContact O-N 3.42Å
188	I	92.8	Very high	84.2	Confident	44 Å²	44	57.5 Å²	57.5	23%	0.226	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-44	-47.2	-170.3	-59	174.2	0	0	0	113.8	F184 Y190 H196 N228 V230 V233 K237	F184-I188 HydrophobicContact CE1-CG1 3.99Å; F184-I188 HydrophobicContact CZ-CG1 4.18Å; I188-Y190 VanDerWaalsContact C-N 3.31Å; I188-Y190 PolarHBondContact O-N 3.3Å; I188-H196 PolarHBondContact O-NE2 3.07Å; I188-N228 WeakPolarHBondContact CD1-O 3.32Å; I188-V230 HydrophobicContact CD1-CG2 3.74Å; I188-V230 HydrophobicContact CG1-CG2 4.15Å; I188-V233 HydrophobicContact CG2-CB 3.77Å; I188-V233 HydrophobicContact CG2-CG1 3.92Å; I188-V233 HydrophobicContact CG2-CG2 3.77Å; I188-K237 PolarHBondContact O-NZ 2.69Å; I188-K237 VanDerWaalsContact O-NZ 3.16Å
189	L	93.7	Very high	84.7	Confident	25 Å²	25	55.7 Å²	55.7	13%	0.131	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-36.2	-178.8	-59	-177	0	0	0	113.1	T187 L222 W224 Y225 K237	T187-L189 VanDerWaalsContact C-N 3.28Å; T187-L189 PolarHBondContact O-N 3.43Å; L189-L222 HydrophobicContact CB-CD1 4.45Å; L189-W224 PolarHBondContact O-NE1 3.1Å; L189-Y225 HydrophobicContact CD1-CD2 4.35Å; L189-K237 WeakPolarHBondContact O-CE 3.44Å; L189-K237 PolarHBondContact O-NZ 2.71Å
190	Y	95.1	Very high	85.7	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.008	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-27.5	-172.8	-50.1	-67.8	0	0	0	113.7	R101 I141 K142 P143 T187 I188 S192 S209 Y212 V213 E216 L222	R101-Y190 PolarHBondContact NH2-OH 2.98Å; I141-Y190 WeakPolarHBondContact O-CB 3.44Å; K142-Y190 HydrophobicContact CB-CD2 3.46Å; K142-Y190 VanDerWaalsContact CB-CD2 3.46Å; K142-Y190 HydrophobicContact CB-CE2 3.74Å; K142-Y190 HydrophobicContact CB-CG 4.28Å; P143-Y190 VanDerWaalsContact CD-CE2 3.47Å; P143-Y190 HydrophobicContact CG-CE1 4.26Å; P143-Y190 HydrophobicContact CG-CE2 4.42Å; T187-Y190 HydrophobicContact CG2-CD2 3.88Å; T187-Y190 HydrophobicContact CG2-CE2 4.15Å; T187-Y190 PolarHBondContact O-N 2.81Å; I188-Y190 VanDerWaalsContact C-N 3.31Å; I188-Y190 PolarHBondContact O-N 3.3Å; Y190-S192 PolarHBondContact O-N 3.26Å; Y190-S209 WeakPolarHBondContact O-CA 3.36Å; Y190-S209 PolarHBondContact O-OG 3.22Å; Y190-Y212 WeakPolarHBondContact O-CD2 2.91Å; Y190-V213 HydrophobicContact CD1-CG2 3.76Å; Y190-V213 HydrophobicContact CE1-CG2 4.11Å; Y190-V213 HydrophobicContact CG-CG2 4.19Å; Y190-E216 WeakPolarHBondContact CE1-OE2 3.47Å; Y190-E216 VanDerWaalsContact CZ-OE2 3.29Å; Y190-E216 PolarHBondContact OH-OE1 3.48Å; Y190-E216 VanDerWaalsContact OH-OE1 3.13Å; Y190-E216 PolarHBondContact OH-OE2 3.4Å; Y190-L222 HydrophobicContact CD1-CD1 4.09Å; Y190-L222 HydrophobicContact CE1-CD1 3.78Å
191	A	93.6	Very high	87.1	Confident	4 Å²	4	43.5 Å²	43.5	3%	0.033	20%	0.204	C	C	.	.			trans	-52.9	137.3	-177	0	0	0	0	0	112.8	F184 T187 A195 H196 K237	F184-A191 HydrophobicContact CE2-CB 3.99Å; F184-A191 HydrophobicContact CZ-CB 3.68Å; T187-A191 WeakPolarHBondContact O-CB 3.27Å; T187-A191 PolarHBondContact O-N 3.42Å; A191-A195 HydrophobicContact CB-CB 4.05Å; A191-H196 PolarHBondContact O-CD2 2.94Å; A191-K237 PolarHBondContact O-NZ 3.22Å
192	S	93.2	Very high	88.6	Confident	2 Å²	2	38 Å²	38	1%	0.014	18%	0.175	C	C	.	.			trans	-67.2	166.6	-178.1	76.4	0	0	0	0	112.8	Y190 R194 A195 H196 D205	Y190-S192 PolarHBondContact O-N 3.26Å; S192-R194 PolarHBondContact O-N 2.99Å; S192-R194 PolarHBondContact OG-N 2.77Å; S192-A195 WeakPolarHBondContact O-CB 3.25Å; S192-A195 PolarHBondContact O-N 2.92Å; S192-A195 PolarHBondContact OG-N 2.75Å; S192-H196 PolarHBondContact O-CD2 3.27Å; S192-H196 PolarHBondContact O-N 2.84Å; S192-H196 VanDerWaalsContact O-N 3.07Å; S192-D205 WeakPolarHBondContact CB-OD1 3.48Å; S192-D205 PolarHBondContact OG-OD1 3.45Å
193	E	90.5	Very high	90	Very high	47 Å²	47	37.4 Å²	37.4	22%	0.22	17%	0.172	C	C	.	.	H	α-helix	trans	-66.9	-25.1	-179.5	-54.2	62.9	-118.7	0	0	110.7	R197 Y212	E193-R197 WeakPolarHBondContact O-CG 3.39Å; E193-R197 PolarHBondContact O-N 3.28Å; E193-R197 PolarHBondContact O-NH1 2.93Å; E193-Y212 PolarHBondContact OE1-OH 3.13Å
194	R	90.9	Very high	90.8	Very high	48 Å²	48	36.7 Å²	36.7	18%	0.181	16%	0.164	C	C	.	.	H	α-helix	trans	-65.4	-45.2	169.6	-61.5	-154.3	179	101.2	9.9	111.8	S192 H196 R197 R198 E199 L201 D205 L263	S192-R194 PolarHBondContact O-N 2.99Å; S192-R194 PolarHBondContact OG-N 2.77Å; R194-H196 VanDerWaalsContact C-N 3.34Å; R194-H196 PolarHBondContact O-N 3.45Å; R194-R197 CarbonylContact O-C 3.51Å; R194-R197 WeakPolarHBondContact O-CA 3.23Å; R194-R197 PolarHBondContact O-N 3.34Å; R194-R197 VanDerWaalsContact O-N 3.13Å; R194-R198 PolarHBondContact O-N 3.04Å; R194-E199 HydrophobicContact CB-CB 4.07Å; R194-E199 VanDerWaalsContact CG-OE2 3.27Å; R194-E199 WeakPolarHBondContact CG-OE2 3.44Å; R194-E199 PolarHBondContact O-N 3.34Å; R194-L201 HydrophobicContact CB-CD2 3.7Å; R194-D205 WeakPolarHBondContact CB-OD1 3.33Å; R194-D205 WeakPolarHBondContact CD-OD1 3.21Å; R194-D205 VanDerWaalsContact CG-OD1 3.24Å; R194-D205 WeakPolarHBondContact CG-OD1 3.3Å; R194-D205 IonicContact CZ-OD2 3.48Å; R194-D205 IonicContact NH1-OD1 2.71Å; R194-D205 PolarHBondContact NH1-OD1 2.69Å; R194-D205 IonicContact NH1-OD2 2.69Å; R194-D205 PolarHBondContact NH1-OD2 3.45Å; R194-L263 PolarHBondContact NH2-O 3.06Å
195	A	91.9	Very high	91.2	Very high	3 Å²	3	34.5 Å²	34.5	3%	0.025	16%	0.155	C	C	.	.	H	α-helix	trans	-63.6	-41.5	179	0	0	0	0	0	111.3	F184 A191 S192 R197 R198 L201	F184-A195 VanDerWaalsContact CD2-O 3.28Å; F184-A195 WeakPolarHBondContact CD2-O 3.26Å; F184-A195 HydrophobicContact CE2-CB 4.45Å; A191-A195 HydrophobicContact CB-CB 4.05Å; S192-A195 WeakPolarHBondContact O-CB 3.25Å; S192-A195 PolarHBondContact O-N 2.92Å; S192-A195 PolarHBondContact OG-N 2.75Å; A195-R197 PolarHBondContact O-N 3.29Å; A195-R198 PolarHBondContact O-N 3.21Å; A195-L201 HydrophobicContact CB-CD1 3.99Å; A195-L201 HydrophobicContact CB-CD2 3.95Å
196	H	90.7	Very high	91.9	Very high	7 Å²	7	30.8 Å²	30.8	3%	0.032	14%	0.141	C	C	.	.	H	α-helix	trans	-59.6	-41.7	170.9	-80.3	-76.7	0	0	0	112.7	F184 I188 A191 S192 R194 R198 V230 Q234	F184-H196 AromaticContact CE2-CE1 3.8Å; F184-H196 AromaticContact CE2-CG 3.95Å; F184-H196 AromaticContact CE2-ND1 3.71Å; I188-H196 PolarHBondContact O-NE2 3.07Å; A191-H196 PolarHBondContact O-CD2 2.94Å; S192-H196 PolarHBondContact O-CD2 3.27Å; S192-H196 PolarHBondContact O-N 2.84Å; S192-H196 VanDerWaalsContact O-N 3.07Å; R194-H196 VanDerWaalsContact C-N 3.34Å; R194-H196 PolarHBondContact O-N 3.45Å; H196-R198 PolarHBondContact O-N 2.92Å; H196-V230 WeakPolarHBondContact ND1-CG1 3.34Å; H196-V230 PolarHBondContact ND1-O 3.35Å; H196-Q234 HydrophobicContact CB-CB 4.03Å; H196-Q234 HydrophobicContact CB-CG 3.83Å
197	R	88.8	Confident	92.4	Very high	123 Å²	123	30.2 Å²	30.2	46%	0.464	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-0.4	172.8	-67.6	-170.3	-51.7	-83.3	-9.5	115.1	E193 R194 A195 E199	E193-R197 WeakPolarHBondContact O-CG 3.39Å; E193-R197 PolarHBondContact O-N 3.28Å; E193-R197 PolarHBondContact O-NH1 2.93Å; R194-R197 CarbonylContact O-C 3.51Å; R194-R197 WeakPolarHBondContact O-CA 3.23Å; R194-R197 PolarHBondContact O-N 3.34Å; R194-R197 VanDerWaalsContact O-N 3.13Å; A195-R197 PolarHBondContact O-N 3.29Å; R197-E199 HydrophobicContact CB-CG 4.04Å; R197-E199 IonicContact CZ-OE1 3.62Å; R197-E199 IonicContact CZ-OE2 2.73Å; R197-E199 IonicContact NE-OE1 3.16Å; R197-E199 PolarHBondContact NE-OE1 3.39Å; R197-E199 IonicContact NE-OE2 2.7Å; R197-E199 IonicContact NH2-OE1 3.81Å; R197-E199 PolarHBondContact NH2-OE1 2.83Å; R197-E199 IonicContact NH2-OE2 2.72Å; R197-E199 PolarHBondContact NH2-OE2 2.99Å; R197-E199 PolarHBondContact O-N 3.26Å
198	R	88.7	Confident	92.6	Very high	158 Å²	158	28.4 Å²	28.4	60%	0.596	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.9	26.8	-178.9	-46.2	179.1	-170.5	176.7	3.8	114.3	G183 R194 A195 H196	G183-R198 WeakPolarHBondContact O-CA 3.37Å; G183-R198 WeakPolarHBondContact O-CB 3.21Å; R194-R198 PolarHBondContact O-N 3.04Å; A195-R198 PolarHBondContact O-N 3.21Å; H196-R198 PolarHBondContact O-N 2.92Å
199	E	88.6	Confident	92.8	Very high	76 Å²	76	26.7 Å²	26.7	36%	0.355	12%	0.115	S	C	.	.	P	Polyproline II helix	trans	-74.1	163.7	175.8	-67.6	168.9	-178.6	0	0	111.3	R194 R197	R194-E199 HydrophobicContact CB-CB 4.07Å; R194-E199 VanDerWaalsContact CG-OE2 3.27Å; R194-E199 WeakPolarHBondContact CG-OE2 3.44Å; R194-E199 PolarHBondContact O-N 3.34Å; R197-E199 HydrophobicContact CB-CG 4.04Å; R197-E199 IonicContact CZ-OE1 3.62Å; R197-E199 IonicContact CZ-OE2 2.73Å; R197-E199 IonicContact NE-OE1 3.16Å; R197-E199 PolarHBondContact NE-OE1 3.39Å; R197-E199 IonicContact NE-OE2 2.7Å; R197-E199 IonicContact NH2-OE1 3.81Å; R197-E199 PolarHBondContact NH2-OE1 2.83Å; R197-E199 IonicContact NH2-OE2 2.72Å; R197-E199 PolarHBondContact NH2-OE2 2.99Å; R197-E199 PolarHBondContact O-N 3.26Å
200	E	87.7	Confident	93	Very high	20 Å²	20	25.5 Å²	25.5	9%	0.093	11%	0.109	C	C	.	.	P	Polyproline II helix	trans	-65.3	133.5	170.8	-176.7	64.1	-88.3	0	0	110.3	K166 Q178 R179 N182 Y265	K166-E200 IonicContact NZ-OE1 2.68Å; K166-E200 PolarHBondContact NZ-OE1 3.49Å; K166-E200 IonicContact NZ-OE2 3.78Å; K166-E200 PolarHBondContact NZ-OE2 2.81Å; Q178-E200 HydrophobicContact CB-CB 4.36Å; Q178-E200 HydrophobicContact CB-CG 4.2Å; Q178-E200 HydrophobicContact CG-CB 4.41Å; Q178-E200 HydrophobicContact CG-CG 4.17Å; R179-E200 PolarHBondContact N-OE2 3.05Å; N182-E200 PolarHBondContact OD1-OE1 3.19Å; E200-Y265 HydrophobicContact CG-CD2 4.41Å
201	L	91.4	Very high	93	Very high	14 Å²	14	25.4 Å²	25.4	7%	0.073	11%	0.108	C	C	.	.	P	Polyproline II helix	trans	-96.9	147.6	-173.5	-57.9	-173.6	0	0	0	111.5	I137 R139 R185 R194 A195 D205	I137-L201 HydrophobicContact CD1-CB 4.08Å; I137-L201 WeakPolarHBondContact CD1-O 3.44Å; R139-L201 HydrophobicContact CB-CD1 4.25Å; R139-L201 HydrophobicContact CG-CD1 4.13Å; R185-L201 HydrophobicContact CB-CD1 4.34Å; R194-L201 HydrophobicContact CB-CD2 3.7Å; A195-L201 HydrophobicContact CB-CD1 3.99Å; A195-L201 HydrophobicContact CB-CD2 3.95Å; L201-D205 HydrophobicContact CB-CB 4.32Å; L201-D205 HydrophobicContact CD2-CB 4.22Å
202	G	91.3	Very high	93.1	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.01	11%	0.107	C	C	.	.			trans	-133.3	-172.7	178.3	0	0	0	0	0	113.7	A204 D205 Y265	G202-A204 PolarHBondContact O-N 3.12Å; G202-A204 VanDerWaalsContact O-N 3.13Å; G202-D205 PolarHBondContact N-OD2 3.34Å; G202-D205 WeakPolarHBondContact O-CB 3.3Å; G202-D205 PolarHBondContact O-N 3.49Å; G202-Y265 WeakPolarHBondContact CA-O 3.36Å
203	A	94.5	Very high	93.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-57.6	-29.3	-178.9	0	0	0	0	0	113.4	H132 Y168 D205 L207 P269	H132-A203 WeakPolarHBondContact CE1-CA 3.37Å; H132-A203 PolarHBondContact CE1-O 3.14Å; H132-A203 WeakPolarHBondContact ND1-CA 3.18Å; H132-A203 VanDerWaalsContact ND1-CB 3.28Å; H132-A203 WeakPolarHBondContact ND1-CB 3.47Å; Y168-A203 HydrophobicContact CE2-CB 4.44Å; A203-D205 VanDerWaalsContact C-N 3.3Å; A203-D205 PolarHBondContact O-N 2.74Å; A203-L207 WeakPolarHBondContact O-CG 3.49Å; A203-P269 HydrophobicContact CB-CG 3.77Å
204	A	94.8	Very high	93.6	Very high	4 Å²	4	23 Å²	23	3%	0.033	10%	0.096	C	C	.	.	H	α-helix	trans	-65	-29.2	175.5	0	0	0	0	0	113.9	G202 L207 M208 L263	G202-A204 PolarHBondContact O-N 3.12Å; G202-A204 VanDerWaalsContact O-N 3.13Å; A204-L207 PolarHBondContact O-N 2.81Å; A204-M208 PolarHBondContact O-N 2.9Å; A204-L263 HydrophobicContact CB-CB 3.59Å; A204-L263 HydrophobicContact CB-CD1 4.25Å
205	D	95.4	Very high	93.8	Very high	8 Å²	8	20.9 Å²	20.9	4%	0.043	9%	0.088	C	C	.	.	H	α-helix	trans	-81.9	-34.7	-169.8	-64.7	-79.6	0	0	0	112.4	S192 R194 L201 G202 A203 L207 M208 S209	S192-D205 WeakPolarHBondContact CB-OD1 3.48Å; S192-D205 PolarHBondContact OG-OD1 3.45Å; R194-D205 WeakPolarHBondContact CB-OD1 3.33Å; R194-D205 WeakPolarHBondContact CD-OD1 3.21Å; R194-D205 VanDerWaalsContact CG-OD1 3.24Å; R194-D205 WeakPolarHBondContact CG-OD1 3.3Å; R194-D205 IonicContact CZ-OD2 3.48Å; R194-D205 IonicContact NH1-OD1 2.71Å; R194-D205 PolarHBondContact NH1-OD1 2.69Å; R194-D205 IonicContact NH1-OD2 2.69Å; R194-D205 PolarHBondContact NH1-OD2 3.45Å; L201-D205 HydrophobicContact CB-CB 4.32Å; L201-D205 HydrophobicContact CD2-CB 4.22Å; G202-D205 PolarHBondContact N-OD2 3.34Å; G202-D205 WeakPolarHBondContact O-CB 3.3Å; G202-D205 PolarHBondContact O-N 3.49Å; A203-D205 VanDerWaalsContact C-N 3.3Å; A203-D205 PolarHBondContact O-N 2.74Å; D205-L207 VanDerWaalsContact C-N 3.3Å; D205-M208 PolarHBondContact O-N 3.38Å; D205-S209 WeakPolarHBondContact O-CB 3.47Å; D205-S209 PolarHBondContact O-N 3.29Å; D205-S209 PolarHBondContact O-OG 3.48Å
206	D	97.4	Very high	93.9	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.011	9%	0.087	C	C	.	.	H	α-helix	trans	-64.7	-35.3	165.7	-77.9	-17.9	0	0	0	111.5	V128 H132 I137 H138 R139 I141 S209 L210	V128-D206 HydrophobicContact CG1-CB 4.06Å; H132-D206 IonicContact CD2-OD2 3.26Å; H132-D206 WeakPolarHBondContact CE1-CB 3.32Å; H132-D206 IonicContact CE1-OD2 3.42Å; H132-D206 PolarHBondContact CE1-OD2 3.3Å; H132-D206 WeakPolarHBondContact NE2-CB 3.32Å; H132-D206 IonicContact NE2-OD1 2.75Å; H132-D206 CovalentContact NE2-OD2 1.79Å; H132-D206 IonicContact NE2-OD2 3.98Å; H132-D206 PolarHBondContact NE2-OD2 3Å; I137-D206 WeakPolarHBondContact CA-OD2 3.45Å; H138-D206 PolarHBondContact N-OD2 3.47Å; R139-D206 WeakPolarHBondContact CA-OD1 3.33Å; R139-D206 PolarHBondContact N-OD1 2.65Å; I141-D206 HydrophobicContact CG1-CB 3.89Å; D206-S209 PolarHBondContact O-N 3.07Å; D206-L210 WeakPolarHBondContact O-CB 3.36Å; D206-L210 PolarHBondContact O-N 3.06Å
207	L	97.5	Very high	94.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-71.2	-32.6	176.6	-73	176.4	0	0	0	112.9	L125 V128 A203 A204 D205 L210 F211 V260 L263 P269 Y271 L274	L125-L207 HydrophobicContact CD1-CD2 3.53Å; V128-L207 HydrophobicContact CG1-CD2 4.24Å; A203-L207 WeakPolarHBondContact O-CG 3.49Å; A204-L207 PolarHBondContact O-N 2.81Å; D205-L207 VanDerWaalsContact C-N 3.3Å; L207-L210 HydrophobicContact CD2-CD2 4.3Å; L207-F211 PolarHBondContact O-N 3.31Å; L207-V260 HydrophobicContact CB-CG1 3.92Å; L207-V260 HydrophobicContact CB-CG2 4.15Å; L207-L263 HydrophobicContact CD1-CD1 4.4Å; L207-P269 HydrophobicContact CD1-CB 3.44Å; L207-P269 VanDerWaalsContact CD1-CB 3.44Å; L207-P269 HydrophobicContact CD1-CG 3.5Å; L207-Y271 HydrophobicContact CD1-CE1 4.07Å; L207-Y271 HydrophobicContact CD2-CD1 4.42Å; L207-Y271 HydrophobicContact CD2-CE1 3.99Å; L207-Y271 HydrophobicContact CG-CE1 4.4Å; L207-L274 HydrophobicContact CD1-CD1 3.97Å; L207-L274 HydrophobicContact CD2-CD1 4.07Å
208	M	95.6	Very high	94.4	Very high	9 Å²	9	15.4 Å²	15.4	4%	0.044	7%	0.067	C	C	.	.	H	α-helix	trans	-68.5	-42.5	171	-174.1	62.4	88.2	0	0	110.7	A204 D205 L210 F211 Y212 V260	A204-M208 PolarHBondContact O-N 2.9Å; D205-M208 PolarHBondContact O-N 3.38Å; M208-L210 VanDerWaalsContact C-N 3.33Å; M208-L210 PolarHBondContact O-N 3.2Å; M208-F211 WeakPolarHBondContact O-CB 3.04Å; M208-F211 PolarHBondContact O-N 3.01Å; M208-F211 VanDerWaalsContact O-N 3.12Å; M208-F211 HydrophobicContact SD-CD1 4.01Å; M208-Y212 HydrophobicContact CG-CD2 4.21Å; M208-Y212 HydrophobicContact CG-CE2 3.7Å; M208-Y212 VanDerWaalsContact O-CD2 3.29Å; M208-Y212 WeakPolarHBondContact O-CD2 3.09Å; M208-Y212 PolarHBondContact O-N 3.26Å; M208-Y212 VanDerWaalsContact O-N 3.08Å; M208-Y212 HydrophobicContact SD-CE2 4.09Å; M208-V260 HydrophobicContact CB-CG1 3.99Å; M208-V260 HydrophobicContact CE-CG1 4.38Å; M208-V260 HydrophobicContact SD-CG1 4.43Å
209	S	96.9	Very high	94.5	Very high	7 Å²	7	10.1 Å²	10.1	5%	0.049	5%	0.053	C	C	.	.	H	α-helix	trans	-60.6	-42.5	174.6	-54.1	0	0	0	0	111.5	Y190 D205 D206 Y212 V213	Y190-S209 WeakPolarHBondContact O-CA 3.36Å; Y190-S209 PolarHBondContact O-OG 3.22Å; D205-S209 WeakPolarHBondContact O-CB 3.47Å; D205-S209 PolarHBondContact O-N 3.29Å; D205-S209 PolarHBondContact O-OG 3.48Å; D206-S209 PolarHBondContact O-N 3.07Å; S209-Y212 PolarHBondContact O-N 3.16Å; S209-V213 WeakPolarHBondContact O-CG2 3.45Å; S209-V213 PolarHBondContact O-N 2.84Å
210	L	97.7	Very high	94.6	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-63.4	-37.9	172.2	178.5	58.6	0	0	0	113	C124 L125 V128 I141 F146 D206 L207 M208 Y212 V213 I214	C124-L210 HydrophobicContact CB-CD1 3.52Å; L125-L210 HydrophobicContact CB-CD2 3.94Å; L125-L210 HydrophobicContact CD1-CD2 4.02Å; V128-L210 HydrophobicContact CG2-CD2 4.44Å; I141-L210 HydrophobicContact CG2-CB 4.05Å; F146-L210 HydrophobicContact CE2-CD1 4.02Å; F146-L210 HydrophobicContact CZ-CD1 4.09Å; D206-L210 WeakPolarHBondContact O-CB 3.36Å; D206-L210 PolarHBondContact O-N 3.06Å; L207-L210 HydrophobicContact CD2-CD2 4.3Å; M208-L210 VanDerWaalsContact C-N 3.33Å; M208-L210 PolarHBondContact O-N 3.2Å; L210-Y212 VanDerWaalsContact C-N 3.33Å; L210-Y212 PolarHBondContact O-N 3.48Å; L210-V213 PolarHBondContact O-N 2.95Å; L210-I214 HydrophobicContact CD1-CD1 4.01Å; L210-I214 HydrophobicContact CD1-CG1 4.16Å; L210-I214 HydrophobicContact CG-CD1 3.92Å; L210-I214 HydrophobicContact CG-CG1 4.49Å; L210-I214 WeakPolarHBondContact O-CG1 3.5Å; L210-I214 PolarHBondContact O-N 2.95Å
211	F	96.5	Very high	94.8	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-58.7	-46	173.8	165.8	-102.5	0	0	0	110.9	L207 M208 V213 I214 I215 L242 T246 M253 F256 A257	L207-F211 PolarHBondContact O-N 3.31Å; M208-F211 WeakPolarHBondContact O-CB 3.04Å; M208-F211 PolarHBondContact O-N 3.01Å; M208-F211 VanDerWaalsContact O-N 3.12Å; M208-F211 HydrophobicContact SD-CD1 4.01Å; F211-V213 PolarHBondContact O-N 2.94Å; F211-I214 PolarHBondContact O-N 3.2Å; F211-I214 VanDerWaalsContact O-N 3.17Å; F211-I215 HydrophobicContact CD1-CG1 4.48Å; F211-I215 HydrophobicContact CD2-CD1 4.49Å; F211-I215 HydrophobicContact CD2-CG1 4.15Å; F211-I215 HydrophobicContact CE1-CG1 3.99Å; F211-I215 HydrophobicContact CE2-CD1 3.67Å; F211-I215 HydrophobicContact CE2-CG1 3.62Å; F211-I215 HydrophobicContact CZ-CD1 3.82Å; F211-I215 HydrophobicContact CZ-CG1 3.52Å; F211-I215 WeakPolarHBondContact O-CG1 3.32Å; F211-I215 PolarHBondContact O-N 3.48Å; F211-L242 HydrophobicContact CE1-CD2 4.47Å; F211-T246 HydrophobicContact CE2-CG2 4.02Å; F211-T246 HydrophobicContact CZ-CG2 3.8Å; F211-M253 HydrophobicContact CD2-CE 3.66Å; F211-M253 HydrophobicContact CE2-CE 3.79Å; F211-F256 HydrophobicContact CB-CD1 4.2Å; F211-F256 HydrophobicContact CB-CE1 4.01Å; F211-F256 AromaticContact CD2-CD1 3.91Å; F211-F256 HydrophobicContact CD2-CD1 3.91Å; F211-F256 HydrophobicContact CD2-CE1 4.48Å; F211-F256 HydrophobicContact CG-CD1 4.47Å; F211-A257 HydrophobicContact CD2-CB 4.2Å; F211-A257 HydrophobicContact CE1-CB 4.21Å; F211-A257 HydrophobicContact CE2-CB 3.62Å; F211-A257 HydrophobicContact CZ-CB 3.63Å
212	Y	96	Very high	94.8	Very high	3 Å²	3	10 Å²	10	1%	0.012	5%	0.052	C	C	.	.	H	α-helix	trans	-63.5	-40.5	176.3	-68.3	-52.7	0	0	0	113.1	Y190 E193 M208 S209 L210 I214 I215 E216 L222 W224 K237 L245	Y190-Y212 WeakPolarHBondContact O-CD2 2.91Å; E193-Y212 PolarHBondContact OE1-OH 3.13Å; M208-Y212 HydrophobicContact CG-CD2 4.21Å; M208-Y212 HydrophobicContact CG-CE2 3.7Å; M208-Y212 VanDerWaalsContact O-CD2 3.29Å; M208-Y212 WeakPolarHBondContact O-CD2 3.09Å; M208-Y212 PolarHBondContact O-N 3.26Å; M208-Y212 VanDerWaalsContact O-N 3.08Å; M208-Y212 HydrophobicContact SD-CE2 4.09Å; S209-Y212 PolarHBondContact O-N 3.16Å; L210-Y212 VanDerWaalsContact C-N 3.33Å; L210-Y212 PolarHBondContact O-N 3.48Å; Y212-I214 VanDerWaalsContact C-N 3.3Å; Y212-I214 PolarHBondContact O-N 3.27Å; Y212-I215 PolarHBondContact O-N 3.25Å; Y212-E216 PolarHBondContact O-N 2.73Å; Y212-L222 HydrophobicContact CD1-CD2 4.36Å; Y212-W224 HydrophobicContact CD1-CH2 4.09Å; Y212-W224 AromaticContact CD1-CZ2 3.7Å; Y212-W224 HydrophobicContact CD1-CZ2 3.7Å; Y212-W224 AromaticContact CE1-CH2 3.54Å; Y212-W224 HydrophobicContact CE1-CH2 3.54Å; Y212-W224 AromaticContact CE1-CZ2 3.53Å; Y212-W224 HydrophobicContact CE1-CZ2 3.53Å; Y212-W224 HydrophobicContact CG-CZ2 4.4Å; Y212-K237 HydrophobicContact CE2-CD 4.4Å; Y212-L245 HydrophobicContact CE1-CD1 4.11Å
213	V	96.9	Very high	94.8	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-57.3	-42.3	171.4	169.4	0	0	0	0	111.8	I141 P143 F146 Y190 S209 L210 F211 M217	I141-V213 HydrophobicContact CG2-CG2 4.4Å; P143-V213 HydrophobicContact CG-CG1 4.24Å; P143-V213 HydrophobicContact CG-CG2 4.25Å; F146-V213 HydrophobicContact CD2-CG1 4.44Å; F146-V213 HydrophobicContact CE2-CG1 4.43Å; Y190-V213 HydrophobicContact CD1-CG2 3.76Å; Y190-V213 HydrophobicContact CE1-CG2 4.11Å; Y190-V213 HydrophobicContact CG-CG2 4.19Å; S209-V213 WeakPolarHBondContact O-CG2 3.45Å; S209-V213 PolarHBondContact O-N 2.84Å; L210-V213 PolarHBondContact O-N 2.95Å; F211-V213 PolarHBondContact O-N 2.94Å; V213-M217 HydrophobicContact CG1-CE 4.1Å; V213-M217 PolarHBondContact O-N 3.23Å
214	I	96.5	Very high	94.8	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-68.4	-42	178.9	-71.1	169.6	0	0	0	111.5	V117 L210 F211 Y212 M217 F218 M253 F256 L278	V117-I214 HydrophobicContact CG1-CG2 4.12Å; L210-I214 HydrophobicContact CD1-CD1 4.01Å; L210-I214 HydrophobicContact CD1-CG1 4.16Å; L210-I214 HydrophobicContact CG-CD1 3.92Å; L210-I214 HydrophobicContact CG-CG1 4.49Å; L210-I214 WeakPolarHBondContact O-CG1 3.5Å; L210-I214 PolarHBondContact O-N 2.95Å; F211-I214 PolarHBondContact O-N 3.2Å; F211-I214 VanDerWaalsContact O-N 3.17Å; Y212-I214 VanDerWaalsContact C-N 3.3Å; Y212-I214 PolarHBondContact O-N 3.27Å; I214-M217 HydrophobicContact CG1-CE 4.11Å; I214-M217 PolarHBondContact O-N 3.24Å; I214-F218 HydrophobicContact CG2-CD2 3.85Å; I214-F218 HydrophobicContact CG2-CE2 3.45Å; I214-F218 VanDerWaalsContact CG2-CE2 3.45Å; I214-F218 WeakPolarHBondContact O-CD2 3.38Å; I214-F218 PolarHBondContact O-N 3.39Å; I214-M253 HydrophobicContact CB-CE 4.3Å; I214-M253 HydrophobicContact CG2-CE 3.48Å; I214-M253 VanDerWaalsContact CG2-CE 3.48Å; I214-M253 HydrophobicContact CG2-SD 3.97Å; I214-F256 HydrophobicContact CD1-CE2 4.47Å; I214-F256 HydrophobicContact CD1-CZ 4.23Å; I214-L278 HydrophobicContact CD1-CD1 4.31Å; I214-L278 HydrophobicContact CD1-CD2 4.39Å
215	I	95.3	Very high	94.5	Very high	3 Å²	3	15.4 Å²	15.4	2%	0.015	8%	0.079	C	C	.	.	H	α-helix	trans	-61.7	-43.7	175.6	-65.1	-61.1	0	0	0	111.1	F211 Y212 M217 F218 T219 L222 T246 V249 M253	F211-I215 HydrophobicContact CD1-CG1 4.48Å; F211-I215 HydrophobicContact CD2-CD1 4.49Å; F211-I215 HydrophobicContact CD2-CG1 4.15Å; F211-I215 HydrophobicContact CE1-CG1 3.99Å; F211-I215 HydrophobicContact CE2-CD1 3.67Å; F211-I215 HydrophobicContact CE2-CG1 3.62Å; F211-I215 HydrophobicContact CZ-CD1 3.82Å; F211-I215 HydrophobicContact CZ-CG1 3.52Å; F211-I215 WeakPolarHBondContact O-CG1 3.32Å; F211-I215 PolarHBondContact O-N 3.48Å; Y212-I215 PolarHBondContact O-N 3.25Å; I215-M217 VanDerWaalsContact C-N 3.34Å; I215-M217 PolarHBondContact O-N 2.7Å; I215-F218 WeakPolarHBondContact O-CB 3.37Å; I215-F218 PolarHBondContact O-N 3.23Å; I215-F218 VanDerWaalsContact O-N 3.07Å; I215-T219 HydrophobicContact CG2-CG2 4.14Å; I215-T219 PolarHBondContact O-N 3.26Å; I215-T219 PolarHBondContact O-OG1 2.88Å; I215-T219 VanDerWaalsContact O-OG1 3.06Å; I215-L222 HydrophobicContact CB-CD2 4.15Å; I215-L222 HydrophobicContact CG2-CD2 3.9Å; I215-T246 HydrophobicContact CD1-CG2 4.36Å; I215-V249 HydrophobicContact CD1-CG1 4.46Å; I215-V249 HydrophobicContact CD1-CG2 3.69Å; I215-M253 HydrophobicContact CD1-CB 4.4Å; I215-M253 HydrophobicContact CD1-CE 4.25Å
216	E	94.6	Very high	94.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-58.8	-44.1	179.1	-166.5	166.6	141	0	0	112.3	R101 Y190 Y212 F218 T219 G220 L222	R101-E216 IonicContact CZ-OE1 3.04Å; R101-E216 IonicContact NH1-OE1 2.72Å; R101-E216 PolarHBondContact NH1-OE1 2.72Å; R101-E216 IonicContact NH2-OE1 3.28Å; Y190-E216 WeakPolarHBondContact CE1-OE2 3.47Å; Y190-E216 VanDerWaalsContact CZ-OE2 3.29Å; Y190-E216 PolarHBondContact OH-OE1 3.48Å; Y190-E216 VanDerWaalsContact OH-OE1 3.13Å; Y190-E216 PolarHBondContact OH-OE2 3.4Å; Y212-E216 PolarHBondContact O-N 2.73Å; E216-F218 VanDerWaalsContact C-N 3.3Å; E216-F218 PolarHBondContact O-N 3.2Å; E216-T219 PolarHBondContact O-N 3.48Å; E216-G220 CarbonylContact O-C 3.53Å; E216-G220 VanDerWaalsContact O-CA 3.24Å; E216-G220 WeakPolarHBondContact O-CA 3.3Å; E216-G220 PolarHBondContact O-N 3.32Å; E216-L222 HydrophobicContact CB-CD2 4.39Å; E216-L222 HydrophobicContact CB-CG 4.09Å; E216-L222 HydrophobicContact CG-CG 4.4Å
217	M	95.2	Very high	93.8	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.01	13%	0.126	C	C	.	.	H	α-helix	trans	-61.5	-34.7	175.3	-73.6	-172.2	-74.8	0	0	113.3	I100 E104 I112 V117 I120 V213 I214 I215	I100-M217 HydrophobicContact CD1-CE 4.46Å; I100-M217 HydrophobicContact CD1-SD 4.16Å; I100-M217 HydrophobicContact CG2-CG 3.9Å; I100-M217 HydrophobicContact CG2-SD 3.53Å; I100-M217 VanDerWaalsContact CG2-SD 3.53Å; E104-M217 WeakPolarHBondContact OE1-CG 3.49Å; I112-M217 HydrophobicContact CD1-CB 4.17Å; I112-M217 HydrophobicContact CD1-CG 3.95Å; I112-M217 HydrophobicContact CD1-SD 4.16Å; I112-M217 PolarHBondContact N-O 3.28Å; V117-M217 HydrophobicContact CB-CB 4.42Å; V117-M217 HydrophobicContact CG1-CB 3.67Å; V117-M217 HydrophobicContact CG1-CE 4.19Å; V117-M217 HydrophobicContact CG2-CB 4Å; I120-M217 HydrophobicContact CB-SD 4.33Å; I120-M217 HydrophobicContact CD1-SD 4.41Å; I120-M217 HydrophobicContact CG2-CE 3.81Å; I120-M217 HydrophobicContact CG2-SD 3.58Å; I120-M217 VanDerWaalsContact CG2-SD 3.58Å; V213-M217 HydrophobicContact CG1-CE 4.1Å; V213-M217 PolarHBondContact O-N 3.23Å; I214-M217 HydrophobicContact CG1-CE 4.11Å; I214-M217 PolarHBondContact O-N 3.24Å; I215-M217 VanDerWaalsContact C-N 3.34Å; I215-M217 PolarHBondContact O-N 2.7Å
218	F	93.5	Very high	93.2	Very high	16 Å²	16	31.4 Å²	31.4	7%	0.07	16%	0.158	C	C	.	.	H	α-helix	trans	-73.8	-36.7	175.5	-78.1	-67.9	0	0	0	113.4	P111 P114 V117 I214 I215 E216 V249 M253 I281	P111-F218 WeakPolarHBondContact CB-O 3.47Å; P114-F218 HydrophobicContact CB-CD1 3.99Å; P114-F218 HydrophobicContact CB-CE1 3.68Å; P114-F218 HydrophobicContact CG-CD1 4.24Å; P114-F218 HydrophobicContact CG-CE1 4.43Å; P114-F218 WeakPolarHBondContact O-CE1 3.24Å; V117-F218 HydrophobicContact CB-CD1 3.85Å; V117-F218 HydrophobicContact CB-CD2 4.42Å; V117-F218 HydrophobicContact CB-CE1 3.71Å; V117-F218 HydrophobicContact CB-CE2 4.3Å; V117-F218 HydrophobicContact CB-CG 4.18Å; V117-F218 HydrophobicContact CB-CZ 3.94Å; V117-F218 HydrophobicContact CG1-CD1 3.94Å; V117-F218 HydrophobicContact CG1-CD2 3.62Å; V117-F218 HydrophobicContact CG1-CE1 3.92Å; V117-F218 HydrophobicContact CG1-CE2 3.6Å; V117-F218 HydrophobicContact CG1-CG 3.76Å; V117-F218 HydrophobicContact CG1-CZ 3.74Å; V117-F218 HydrophobicContact CG2-CD1 3.84Å; V117-F218 HydrophobicContact CG2-CE1 4.18Å; V117-F218 HydrophobicContact CG2-CG 4.18Å; I214-F218 HydrophobicContact CG2-CD2 3.85Å; I214-F218 HydrophobicContact CG2-CE2 3.45Å; I214-F218 VanDerWaalsContact CG2-CE2 3.45Å; I214-F218 WeakPolarHBondContact O-CD2 3.38Å; I214-F218 PolarHBondContact O-N 3.39Å; I215-F218 WeakPolarHBondContact O-CB 3.37Å; I215-F218 PolarHBondContact O-N 3.23Å; I215-F218 VanDerWaalsContact O-N 3.07Å; E216-F218 VanDerWaalsContact C-N 3.3Å; E216-F218 PolarHBondContact O-N 3.2Å; F218-V249 HydrophobicContact CB-CB 4.18Å; F218-V249 HydrophobicContact CB-CG1 3.38Å; F218-V249 HydrophobicContact CD1-CB 4.44Å; F218-V249 HydrophobicContact CD1-CG1 4.48Å; F218-V249 HydrophobicContact CD2-CB 4.13Å; F218-V249 HydrophobicContact CD2-CG1 4.13Å; F218-V249 HydrophobicContact CG-CB 4.05Å; F218-V249 HydrophobicContact CG-CG1 3.81Å; F218-M253 HydrophobicContact CD2-CG 4.36Å; F218-M253 HydrophobicContact CE2-CE 4.4Å; F218-M253 HydrophobicContact CE2-CG 3.64Å; F218-M253 HydrophobicContact CE2-SD 3.74Å; F218-M253 HydrophobicContact CZ-CG 4.17Å; F218-M253 HydrophobicContact CZ-SD 4.33Å; F218-I281 HydrophobicContact CE1-CG2 4.16Å; F218-I281 HydrophobicContact CZ-CD1 4.15Å; F218-I281 HydrophobicContact CZ-CG2 4.05Å
219	T	91.6	Very high	93	Very high	47 Å²	47	34.4 Å²	34.4	29%	0.288	17%	0.174	S	C	.	.	H	α-helix	trans	-101.4	-11.8	-172.6	60.9	0	0	0	0	113.8	I215 E216 K221 V249	I215-T219 HydrophobicContact CG2-CG2 4.14Å; I215-T219 PolarHBondContact O-N 3.26Å; I215-T219 PolarHBondContact O-OG1 2.88Å; I215-T219 VanDerWaalsContact O-OG1 3.06Å; E216-T219 PolarHBondContact O-N 3.48Å; T219-K221 PolarHBondContact O-N 3.23Å; T219-K221 PolarHBondContact OG1-N 2.56Å; T219-K221 PolarHBondContact OG1-O 2.95Å; T219-V249 HydrophobicContact CG2-CG1 3.95Å
220	G	91.2	Very high	92.5	Very high	7 Å²	7	36.5 Å²	36.5	7%	0.072	19%	0.187	C	C	.	.	S	Bend	trans	80.9	-27.5	-170	0	0	0	0	0	114.1	E216	E216-G220 CarbonylContact O-C 3.53Å; E216-G220 VanDerWaalsContact O-CA 3.24Å; E216-G220 WeakPolarHBondContact O-CA 3.3Å; E216-G220 PolarHBondContact O-N 3.32Å
221	K	90	Very high	92.1	Very high	95 Å²	95	40.4 Å²	40.4	41%	0.413	21%	0.214	S	C	.	.	S	Bend	trans	-155.6	144.7	179.4	-64.7	-171.8	178.8	176.8	0	112.1	T219 Y225	T219-K221 PolarHBondContact O-N 3.23Å; T219-K221 PolarHBondContact OG1-N 2.56Å; T219-K221 PolarHBondContact OG1-O 2.95Å; K221-Y225 HydrophobicContact CB-CD2 4.37Å; K221-Y225 HydrophobicContact CB-CG 4.13Å; K221-Y225 HydrophobicContact CD-CD1 3.84Å; K221-Y225 HydrophobicContact CD-CE1 4.19Å; K221-Y225 HydrophobicContact CD-CG 4.16Å; K221-Y225 HydrophobicContact CG-CD1 4.29Å; K221-Y225 HydrophobicContact CG-CD2 4.28Å; K221-Y225 HydrophobicContact CG-CG 4.13Å
222	L	92	Very high	91.8	Very high	5 Å²	5	45.3 Å²	45.3	3%	0.026	24%	0.235	C	C	.	.			trans	-72.9	155.6	165.5	-66.4	173.7	0	0	0	111.6	L189 Y190 Y212 I215 E216 W224 Y225	L189-L222 HydrophobicContact CB-CD1 4.45Å; Y190-L222 HydrophobicContact CD1-CD1 4.09Å; Y190-L222 HydrophobicContact CE1-CD1 3.78Å; Y212-L222 HydrophobicContact CD1-CD2 4.36Å; I215-L222 HydrophobicContact CB-CD2 4.15Å; I215-L222 HydrophobicContact CG2-CD2 3.9Å; E216-L222 HydrophobicContact CB-CD2 4.39Å; E216-L222 HydrophobicContact CB-CG 4.09Å; E216-L222 HydrophobicContact CG-CG 4.4Å; L222-W224 VanDerWaalsContact C-N 3.27Å; L222-W224 HydrophobicContact CD1-CZ2 4.28Å; L222-W224 HydrophobicContact CD2-CZ2 4.44Å; L222-W224 PolarHBondContact O-N 3.11Å; L222-Y225 WeakPolarHBondContact O-CB 3.49Å; L222-Y225 PolarHBondContact O-N 3.32Å
223	P	91.7	Very high	91.6	Very high	58 Å²	58	45.2 Å²	45.2	38%	0.377	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-33.6	-179.1	-23	33.8	0	0	0	114	Y240 L245	P223-Y240 HydrophobicContact CB-CD1 4.26Å; P223-Y240 HydrophobicContact CB-CD2 4.18Å; P223-Y240 HydrophobicContact CB-CE1 3.76Å; P223-Y240 HydrophobicContact CB-CE2 3.67Å; P223-Y240 HydrophobicContact CB-CG 4.46Å; P223-Y240 VanDerWaalsContact CB-CZ 3.44Å; P223-Y240 HydrophobicContact CG-CD1 4.05Å; P223-Y240 HydrophobicContact CG-CE1 3.85Å; P223-Y240 HydrophobicContact CG-CE2 4.47Å; P223-Y240 HydrophobicContact CG-CG 4.45Å; P223-L245 HydrophobicContact CG-CD2 3.74Å
224	W	93.5	Very high	91.3	Very high	1 Å²	1	48.6 Å²	48.6	0%	0.004	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	13.2	176.2	52.2	80.9	0	0	0	113.8	L189 Y212 L222 Q226 E227 V233 M236 K237 Y240 L245	L189-W224 PolarHBondContact O-NE1 3.1Å; Y212-W224 HydrophobicContact CD1-CH2 4.09Å; Y212-W224 AromaticContact CD1-CZ2 3.7Å; Y212-W224 HydrophobicContact CD1-CZ2 3.7Å; Y212-W224 AromaticContact CE1-CH2 3.54Å; Y212-W224 HydrophobicContact CE1-CH2 3.54Å; Y212-W224 AromaticContact CE1-CZ2 3.53Å; Y212-W224 HydrophobicContact CE1-CZ2 3.53Å; Y212-W224 HydrophobicContact CG-CZ2 4.4Å; L222-W224 VanDerWaalsContact C-N 3.27Å; L222-W224 HydrophobicContact CD1-CZ2 4.28Å; L222-W224 HydrophobicContact CD2-CZ2 4.44Å; L222-W224 PolarHBondContact O-N 3.11Å; W224-Q226 PolarHBondContact O-N 3.27Å; W224-E227 PolarHBondContact O-N 3.46Å; W224-V233 HydrophobicContact CB-CG1 4.41Å; W224-V233 HydrophobicContact CB-CG2 4.33Å; W224-V233 HydrophobicContact CG-CG1 3.98Å; W224-M236 HydrophobicContact CB-CB 4.31Å; W224-M236 HydrophobicContact CB-CE 3.8Å; W224-M236 HydrophobicContact CB-SD 3.77Å; W224-M236 HydrophobicContact CE3-CB 4.25Å; W224-K237 HydrophobicContact CD2-CG 4.22Å; W224-K237 VanDerWaalsContact CE2-CE 3.46Å; W224-K237 HydrophobicContact CE3-CG 4.2Å; W224-K237 HydrophobicContact CH2-CG 3.74Å; W224-K237 HydrophobicContact CZ2-CD 4.24Å; W224-K237 HydrophobicContact CZ2-CG 3.77Å; W224-K237 HydrophobicContact CZ3-CG 3.96Å; W224-Y240 HydrophobicContact CE3-CD2 4.35Å; W224-Y240 HydrophobicContact CZ3-CD2 4.37Å; W224-Y240 HydrophobicContact CZ3-CG 4.31Å; W224-L245 HydrophobicContact CH2-CD1 3.95Å; W224-L245 HydrophobicContact CH2-CD2 3.75Å; W224-L245 HydrophobicContact CH2-CG 4.5Å; W224-L245 HydrophobicContact CZ3-CD1 4.37Å; W224-L245 HydrophobicContact CZ3-CD2 3.87Å
225	Y	90	Very high	91.1	Very high	60 Å²	60	53.7 Å²	53.7	24%	0.235	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-26.5	-176.5	175.9	-82.1	0	0	0	114.4	W109 L189 K221 L222	W109-Y225 HydrophobicContact CE3-CE2 4.26Å; W109-Y225 HydrophobicContact CH2-CE2 4.08Å; W109-Y225 AromaticContact CH2-CZ 3.94Å; W109-Y225 WeakPolarHBondContact CH2-OH 3.4Å; W109-Y225 WeakPolarHBondContact CZ2-OH 3.43Å; W109-Y225 AromaticContact CZ3-CE2 3.63Å; W109-Y225 HydrophobicContact CZ3-CE2 3.63Å; W109-Y225 AromaticContact CZ3-CZ 3.81Å; W109-Y225 WeakPolarHBondContact CZ3-OH 3.41Å; L189-Y225 HydrophobicContact CD1-CD2 4.35Å; K221-Y225 HydrophobicContact CB-CD2 4.37Å; K221-Y225 HydrophobicContact CB-CG 4.13Å; K221-Y225 HydrophobicContact CD-CD1 3.84Å; K221-Y225 HydrophobicContact CD-CE1 4.19Å; K221-Y225 HydrophobicContact CD-CG 4.16Å; K221-Y225 HydrophobicContact CG-CD1 4.29Å; K221-Y225 HydrophobicContact CG-CD2 4.28Å; K221-Y225 HydrophobicContact CG-CG 4.13Å; L222-Y225 WeakPolarHBondContact O-CB 3.49Å; L222-Y225 PolarHBondContact O-N 3.32Å
226	Q	88.2	Confident	90.9	Very high	170 Å²	170	56 Å²	56	79%	0.794	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-5.4	-179.8	-62.1	-169.9	-72.1	0	0	114.5	W224	W224-Q226 PolarHBondContact O-N 3.27Å
227	E	90.1	Very high	90.7	Very high	50 Å²	50	56.5 Å²	56.5	23%	0.234	29%	0.288	C	S	.	.			trans	-98.8	134.9	-178.2	-172.4	52.5	-94.1	0	0	111.2	W224 D229 K232 V233 M236	W224-E227 PolarHBondContact O-N 3.46Å; E227-D229 PolarHBondContact OE1-N 3.06Å; E227-K232 VanDerWaalsContact CD-CD 3.41Å; E227-K232 HydrophobicContact CG-CB 3.8Å; E227-K232 HydrophobicContact CG-CD 3.89Å; E227-K232 IonicContact OE1-NZ 3.84Å; E227-K232 WeakPolarHBondContact OE2-CD 3.37Å; E227-K232 WeakPolarHBondContact OE2-CE 3.09Å; E227-K232 IonicContact OE2-NZ 2.77Å; E227-K232 PolarHBondContact OE2-NZ 3.45Å; E227-V233 HydrophobicContact CB-CG2 4Å; E227-V233 HydrophobicContact CG-CG2 3.98Å; E227-M236 HydrophobicContact CB-SD 4.42Å
228	N	85	Confident	90.3	Very high	127 Å²	127	60.1 Å²	60.1	68%	0.679	32%	0.318	S	S	*	.			trans	-115.8	-12.2	-174.9	-64.4	-83.4	0	0	0	112.4	I188 V230	I188-N228 WeakPolarHBondContact CD1-O 3.32Å; N228-V230 PolarHBondContact O-N 3.4Å
229	D	90	Very high	89.9	Confident	71 Å²	71	64.2 Å²	64.2	38%	0.38	34%	0.341	S	S	.	.			trans	-72.8	121	173	-175.2	-69.1	0	0	0	110.9	E227 S231 K232 V233	E227-D229 PolarHBondContact OE1-N 3.06Å; D229-S231 VanDerWaalsContact C-N 3.32Å; D229-S231 PolarHBondContact O-N 3.44Å; D229-S231 WeakPolarHBondContact OD1-CA 3.43Å; D229-S231 WeakPolarHBondContact OD1-CB 3.27Å; D229-S231 PolarHBondContact OD1-N 3.27Å; D229-K232 HydrophobicContact CB-CB 4.06Å; D229-K232 HydrophobicContact CB-CD 3.86Å; D229-K232 HydrophobicContact CB-CG 3.94Å; D229-K232 PolarHBondContact O-N 2.83Å; D229-K232 PolarHBondContact OD1-N 2.95Å; D229-V233 WeakPolarHBondContact O-CG2 3.27Å; D229-V233 PolarHBondContact O-N 3.32Å
230	V	87.4	Confident	89.5	Confident	51 Å²	51	66.1 Å²	66.1	31%	0.309	34%	0.344	S	S	.	.	H	α-helix	trans	-57.5	-44.1	-177.6	-175.7	0	0	0	0	111.5	F184 I188 H196 N228 V233 Q234	F184-V230 HydrophobicContact CD2-CG1 4.15Å; F184-V230 HydrophobicContact CE2-CG1 4.17Å; I188-V230 HydrophobicContact CD1-CG2 3.74Å; I188-V230 HydrophobicContact CG1-CG2 4.15Å; H196-V230 WeakPolarHBondContact ND1-CG1 3.34Å; H196-V230 PolarHBondContact ND1-O 3.35Å; N228-V230 PolarHBondContact O-N 3.4Å; V230-V233 PolarHBondContact O-N 2.95Å; V230-Q234 WeakPolarHBondContact O-CB 3.41Å; V230-Q234 PolarHBondContact O-N 3.34Å
231	S	89.1	Confident	88.9	Confident	82 Å²	82	67.8 Å²	67.8	57%	0.573	35%	0.354	S	S	*	.	H	α-helix	trans	-70.8	-37.1	-176.3	-54.8	0	0	0	0	111.8	D229 Q234 Q235	D229-S231 VanDerWaalsContact C-N 3.32Å; D229-S231 PolarHBondContact O-N 3.44Å; D229-S231 WeakPolarHBondContact OD1-CA 3.43Å; D229-S231 WeakPolarHBondContact OD1-CB 3.27Å; D229-S231 PolarHBondContact OD1-N 3.27Å; S231-Q234 WeakPolarHBondContact O-CB 3.39Å; S231-Q235 WeakPolarHBondContact O-CB 3.44Å; S231-Q235 PolarHBondContact O-N 2.79Å
232	K	91.1	Very high	88.4	Confident	104 Å²	104	65.1 Å²	65.1	45%	0.452	34%	0.344	S	S	.	.	H	α-helix	trans	-69.1	-41.7	172.5	-65.5	-179.4	-168.4	161.7	0	112.3	E227 D229 Q234 Q235 M236	E227-K232 VanDerWaalsContact CD-CD 3.41Å; E227-K232 HydrophobicContact CG-CB 3.8Å; E227-K232 HydrophobicContact CG-CD 3.89Å; E227-K232 IonicContact OE1-NZ 3.84Å; E227-K232 WeakPolarHBondContact OE2-CD 3.37Å; E227-K232 WeakPolarHBondContact OE2-CE 3.09Å; E227-K232 IonicContact OE2-NZ 2.77Å; E227-K232 PolarHBondContact OE2-NZ 3.45Å; D229-K232 HydrophobicContact CB-CB 4.06Å; D229-K232 HydrophobicContact CB-CD 3.86Å; D229-K232 HydrophobicContact CB-CG 3.94Å; D229-K232 PolarHBondContact O-N 2.83Å; D229-K232 PolarHBondContact OD1-N 2.95Å; K232-Q234 VanDerWaalsContact C-N 3.29Å; K232-Q234 PolarHBondContact O-N 2.82Å; K232-Q235 PolarHBondContact O-N 3.39Å; K232-M236 WeakPolarHBondContact O-CB 3.26Å; K232-M236 WeakPolarHBondContact O-CG 3.22Å; K232-M236 PolarHBondContact O-N 2.87Å
233	V	91.5	Very high	87.9	Confident	0 Å²	0	69 Å²	69	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-65.4	-36.3	176.1	176.2	0	0	0	0	110.7	I188 W224 E227 D229 V230 M236 K237	I188-V233 HydrophobicContact CG2-CB 3.77Å; I188-V233 HydrophobicContact CG2-CG1 3.92Å; I188-V233 HydrophobicContact CG2-CG2 3.77Å; W224-V233 HydrophobicContact CB-CG1 4.41Å; W224-V233 HydrophobicContact CB-CG2 4.33Å; W224-V233 HydrophobicContact CG-CG1 3.98Å; E227-V233 HydrophobicContact CB-CG2 4Å; E227-V233 HydrophobicContact CG-CG2 3.98Å; D229-V233 WeakPolarHBondContact O-CG2 3.27Å; D229-V233 PolarHBondContact O-N 3.32Å; V230-V233 PolarHBondContact O-N 2.95Å; V233-M236 PolarHBondContact O-N 2.96Å; V233-K237 HydrophobicContact CG1-CD 4.22Å; V233-K237 WeakPolarHBondContact O-CB 3.47Å; V233-K237 WeakPolarHBondContact O-CG 3.49Å; V233-K237 PolarHBondContact O-N 3.35Å
234	Q	90.7	Very high	87.7	Confident	71 Å²	71	71.1 Å²	71.1	33%	0.332	37%	0.37	S	S	.	.	H	α-helix	trans	-59	-47.3	169.7	-179.7	177.9	0.3	0	0	111.8	H196 V230 S231 K232 K237 A238	H196-Q234 HydrophobicContact CB-CB 4.03Å; H196-Q234 HydrophobicContact CB-CG 3.83Å; V230-Q234 WeakPolarHBondContact O-CB 3.41Å; V230-Q234 PolarHBondContact O-N 3.34Å; S231-Q234 WeakPolarHBondContact O-CB 3.39Å; K232-Q234 VanDerWaalsContact C-N 3.29Å; K232-Q234 PolarHBondContact O-N 2.82Å; Q234-K237 PolarHBondContact O-N 3.27Å; Q234-A238 PolarHBondContact O-N 2.85Å; Q234-A238 VanDerWaalsContact O-N 3.14Å
235	Q	91.1	Very high	87.4	Confident	107 Å²	107	71.4 Å²	71.4	50%	0.5	37%	0.371	S	S	.	.	H	α-helix	trans	-64.2	-47.1	177.8	-172.6	60.9	49.4	0	0	111.4	S231 K232 K237 A238 D239	S231-Q235 WeakPolarHBondContact O-CB 3.44Å; S231-Q235 PolarHBondContact O-N 2.79Å; K232-Q235 PolarHBondContact O-N 3.39Å; Q235-K237 VanDerWaalsContact C-N 3.27Å; Q235-K237 PolarHBondContact O-N 3.24Å; Q235-A238 CarbonylContact O-C 3.14Å; Q235-A238 WeakPolarHBondContact O-CA 3.48Å; Q235-A238 WeakPolarHBondContact O-CB 3.17Å; Q235-A238 PolarHBondContact O-N 3.44Å; Q235-D239 PolarHBondContact NE2-OD1 3.2Å; Q235-D239 VanDerWaalsContact O-CG 3.23Å; Q235-D239 PolarHBondContact O-N 2.67Å
236	M	91.7	Very high	87.4	Confident	51 Å²	51	68.8 Å²	68.8	25%	0.251	36%	0.361	S	S	.	.	H	α-helix	trans	-60.1	-34.8	176.2	-69.5	179.9	77.5	0	0	112.4	W224 E227 K232 V233 A238 D239 Y240	W224-M236 HydrophobicContact CB-CB 4.31Å; W224-M236 HydrophobicContact CB-CE 3.8Å; W224-M236 HydrophobicContact CB-SD 3.77Å; W224-M236 HydrophobicContact CE3-CB 4.25Å; E227-M236 HydrophobicContact CB-SD 4.42Å; K232-M236 WeakPolarHBondContact O-CB 3.26Å; K232-M236 WeakPolarHBondContact O-CG 3.22Å; K232-M236 PolarHBondContact O-N 2.87Å; V233-M236 PolarHBondContact O-N 2.96Å; M236-A238 VanDerWaalsContact C-N 3.31Å; M236-D239 PolarHBondContact O-N 3.19Å; M236-Y240 HydrophobicContact CE-CE2 4.11Å; M236-Y240 WeakPolarHBondContact O-CB 3.41Å; M236-Y240 WeakPolarHBondContact O-CD2 3.44Å; M236-Y240 PolarHBondContact O-N 2.87Å
237	K	90.3	Very high	87.2	Confident	12 Å²	12	65.2 Å²	65.2	5%	0.052	36%	0.355	C	S	.	.	H	α-helix	trans	-70.5	-23.4	173	-79.9	177.7	170.7	175.6	0	113.8	I188 L189 A191 Y212 W224 V233 Q234 Q235	I188-K237 PolarHBondContact O-NZ 2.69Å; I188-K237 VanDerWaalsContact O-NZ 3.16Å; L189-K237 WeakPolarHBondContact O-CE 3.44Å; L189-K237 PolarHBondContact O-NZ 2.71Å; A191-K237 PolarHBondContact O-NZ 3.22Å; Y212-K237 HydrophobicContact CE2-CD 4.4Å; W224-K237 HydrophobicContact CD2-CG 4.22Å; W224-K237 VanDerWaalsContact CE2-CE 3.46Å; W224-K237 HydrophobicContact CE3-CG 4.2Å; W224-K237 HydrophobicContact CH2-CG 3.74Å; W224-K237 HydrophobicContact CZ2-CD 4.24Å; W224-K237 HydrophobicContact CZ2-CG 3.77Å; W224-K237 HydrophobicContact CZ3-CG 3.96Å; V233-K237 HydrophobicContact CG1-CD 4.22Å; V233-K237 WeakPolarHBondContact O-CB 3.47Å; V233-K237 WeakPolarHBondContact O-CG 3.49Å; V233-K237 PolarHBondContact O-N 3.35Å; Q234-K237 PolarHBondContact O-N 3.27Å; Q235-K237 VanDerWaalsContact C-N 3.27Å; Q235-K237 PolarHBondContact O-N 3.24Å
238	A	85.8	Confident	86.7	Confident	78 Å²	78	67 Å²	67	65%	0.645	37%	0.373	S	S	*	.	H	α-helix	trans	-83.3	-35.8	171.4	0	0	0	0	0	112.4	Q234 Q235 M236	Q234-A238 PolarHBondContact O-N 2.85Å; Q234-A238 VanDerWaalsContact O-N 3.14Å; Q235-A238 CarbonylContact O-C 3.14Å; Q235-A238 WeakPolarHBondContact O-CA 3.48Å; Q235-A238 WeakPolarHBondContact O-CB 3.17Å; Q235-A238 PolarHBondContact O-N 3.44Å; M236-A238 VanDerWaalsContact C-N 3.31Å
239	D	85.3	Confident	86.7	Confident	101 Å²	101	61.9 Å²	61.9	54%	0.54	35%	0.347	S	S	.	.	H	α-helix	trans	-75.6	-43.5	-178.9	-62.9	-23.5	0	0	0	112.3	Q235 M236 S241	Q235-D239 PolarHBondContact NE2-OD1 3.2Å; Q235-D239 VanDerWaalsContact O-CG 3.23Å; Q235-D239 PolarHBondContact O-N 2.67Å; M236-D239 PolarHBondContact O-N 3.19Å; D239-S241 PolarHBondContact O-N 2.76Å
240	Y	83.6	Confident	86.5	Confident	88 Å²	88	60.1 Å²	60.1	35%	0.345	35%	0.345	S	S	.	.	S	Bend	trans	-73.4	108.2	176.9	-88.7	-86.9	0	0	0	110.7	P223 W224 M236 E244	P223-Y240 HydrophobicContact CB-CD1 4.26Å; P223-Y240 HydrophobicContact CB-CD2 4.18Å; P223-Y240 HydrophobicContact CB-CE1 3.76Å; P223-Y240 HydrophobicContact CB-CE2 3.67Å; P223-Y240 HydrophobicContact CB-CG 4.46Å; P223-Y240 VanDerWaalsContact CB-CZ 3.44Å; P223-Y240 HydrophobicContact CG-CD1 4.05Å; P223-Y240 HydrophobicContact CG-CE1 3.85Å; P223-Y240 HydrophobicContact CG-CE2 4.47Å; P223-Y240 HydrophobicContact CG-CG 4.45Å; W224-Y240 HydrophobicContact CE3-CD2 4.35Å; W224-Y240 HydrophobicContact CZ3-CD2 4.37Å; W224-Y240 HydrophobicContact CZ3-CG 4.31Å; M236-Y240 HydrophobicContact CE-CE2 4.11Å; M236-Y240 WeakPolarHBondContact O-CB 3.41Å; M236-Y240 WeakPolarHBondContact O-CD2 3.44Å; M236-Y240 PolarHBondContact O-N 2.87Å; Y240-E244 HydrophobicContact CD1-CB 4.22Å
241	S	78.8	Confident	86.7	Confident	41 Å²	41	65.1 Å²	65.1	29%	0.287	36%	0.359	S	S	.	.			trans	-66.7	152.2	175.3	76.2	0	0	0	0	111.6	D239 N243 E244 L245	D239-S241 PolarHBondContact O-N 2.76Å; S241-N243 PolarHBondContact O-N 2.96Å; S241-N243 WeakPolarHBondContact OG-CB 3.49Å; S241-N243 PolarHBondContact OG-N 3.22Å; S241-E244 WeakPolarHBondContact CB-OE2 3.43Å; S241-E244 PolarHBondContact N-OE2 3.5Å; S241-E244 PolarHBondContact O-N 2.84Å; S241-E244 PolarHBondContact OG-N 3.49Å; S241-E244 PolarHBondContact OG-OE2 2.78Å; S241-L245 PolarHBondContact O-N 2.79Å
242	L	79.9	Confident	86.9	Confident	40 Å²	40	64.4 Å²	64.4	21%	0.209	34%	0.344	C	S	.	.	H	α-helix	trans	-56.3	-22	171.2	-60.3	179	0	0	0	112.5	F211 L245 T246 A257 T261	F211-L242 HydrophobicContact CE1-CD2 4.47Å; L242-L245 HydrophobicContact CD2-CD1 4.43Å; L242-T246 WeakPolarHBondContact O-CB 3.22Å; L242-T246 WeakPolarHBondContact O-CG2 3.44Å; L242-T246 PolarHBondContact O-N 3Å; L242-T246 PolarHBondContact O-OG1 2.99Å; L242-A257 HydrophobicContact CB-CB 4.47Å; L242-A257 HydrophobicContact CD1-CB 4.21Å; L242-A257 HydrophobicContact CD2-CB 4.24Å; L242-T261 HydrophobicContact CD1-CG2 4.37Å; L242-T261 WeakPolarHBondContact CD1-OG1 3.27Å
243	N	81.5	Confident	87	Confident	86 Å²	86	59.5 Å²	59.5	46%	0.46	32%	0.323	S	S	.	.	H	α-helix	trans	-69.2	-44	174.1	-59.9	-57.9	0	0	0	112.1	S241 T246 S247 K254	S241-N243 PolarHBondContact O-N 2.96Å; S241-N243 WeakPolarHBondContact OG-CB 3.49Å; S241-N243 PolarHBondContact OG-N 3.22Å; N243-T246 PolarHBondContact O-N 3.05Å; N243-S247 WeakPolarHBondContact O-CA 3.46Å; N243-S247 WeakPolarHBondContact O-CB 3.4Å; N243-S247 PolarHBondContact O-N 3.4Å; N243-K254 WeakPolarHBondContact OD1-CE 3.37Å; N243-K254 PolarHBondContact OD1-NZ 3.33Å
244	E	87.3	Confident	87.1	Confident	103 Å²	103	62.6 Å²	62.6	48%	0.481	34%	0.337	S	S	.	.	H	α-helix	trans	-69.4	-46	-179.6	-71.3	150.8	117.7	0	0	110.6	Y240 S241 T246 S247	Y240-E244 HydrophobicContact CD1-CB 4.22Å; S241-E244 WeakPolarHBondContact CB-OE2 3.43Å; S241-E244 PolarHBondContact N-OE2 3.5Å; S241-E244 PolarHBondContact O-N 2.84Å; S241-E244 PolarHBondContact OG-N 3.49Å; S241-E244 PolarHBondContact OG-OE2 2.78Å; E244-T246 PolarHBondContact O-N 3.08Å; E244-S247 WeakPolarHBondContact O-CB 3.44Å; E244-S247 PolarHBondContact O-N 3.45Å; E244-S247 PolarHBondContact O-OG 3.09Å
245	L	86.8	Confident	87.3	Confident	7 Å²	7	62.5 Å²	62.5	4%	0.037	34%	0.336	C	S	.	.	H	α-helix	trans	-58.8	-30.8	175.4	-69.3	168.9	0	0	0	113.2	Y212 P223 W224 S241 L242	Y212-L245 HydrophobicContact CE1-CD1 4.11Å; P223-L245 HydrophobicContact CG-CD2 3.74Å; W224-L245 HydrophobicContact CH2-CD1 3.95Å; W224-L245 HydrophobicContact CH2-CD2 3.75Å; W224-L245 HydrophobicContact CH2-CG 4.5Å; W224-L245 HydrophobicContact CZ3-CD1 4.37Å; W224-L245 HydrophobicContact CZ3-CD2 3.87Å; S241-L245 PolarHBondContact O-N 2.79Å; L242-L245 HydrophobicContact CD2-CD1 4.43Å
246	T	89.5	Confident	87.5	Confident	5 Å²	5	57.4 Å²	57.4	3%	0.031	31%	0.312	C	S	.	.	H	α-helix	trans	-100.8	-3.5	-178.6	61.2	0	0	0	0	114.4	F211 I215 L242 N243 E244 S248 V249 G250 M253 K254 A257	F211-T246 HydrophobicContact CE2-CG2 4.02Å; F211-T246 HydrophobicContact CZ-CG2 3.8Å; I215-T246 HydrophobicContact CD1-CG2 4.36Å; L242-T246 WeakPolarHBondContact O-CB 3.22Å; L242-T246 WeakPolarHBondContact O-CG2 3.44Å; L242-T246 PolarHBondContact O-N 3Å; L242-T246 PolarHBondContact O-OG1 2.99Å; N243-T246 PolarHBondContact O-N 3.05Å; E244-T246 PolarHBondContact O-N 3.08Å; T246-S248 PolarHBondContact O-N 2.91Å; T246-V249 WeakPolarHBondContact O-CG2 3.49Å; T246-V249 PolarHBondContact O-N 3.14Å; T246-G250 PolarHBondContact O-N 2.98Å; T246-G250 VanDerWaalsContact O-N 3.14Å; T246-M253 HydrophobicContact CG2-CB 4.16Å; T246-K254 HydrophobicContact CG2-CB 4.4Å; T246-K254 WeakPolarHBondContact OG1-CB 3.42Å; T246-A257 HydrophobicContact CG2-CB 4.38Å
247	S	85.1	Confident	87.5	Confident	94 Å²	94	55 Å²	55	66%	0.657	30%	0.3	S	S	*	.	H	α-helix	trans	-59.3	-41.3	-174	62.3	0	0	0	0	113.7	N243 E244	N243-S247 WeakPolarHBondContact O-CA 3.46Å; N243-S247 WeakPolarHBondContact O-CB 3.4Å; N243-S247 PolarHBondContact O-N 3.4Å; E244-S247 WeakPolarHBondContact O-CB 3.44Å; E244-S247 PolarHBondContact O-N 3.45Å; E244-S247 PolarHBondContact O-OG 3.09Å
248	S	80.3	Confident	87.7	Confident	89 Å²	89	58.4 Å²	58.4	62%	0.622	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-13.9	-176.8	54.8	0	0	0	0	114.5	T246	T246-S248 PolarHBondContact O-N 2.91Å
249	V	83.2	Confident	88.1	Confident	19 Å²	19	56.1 Å²	56.1	12%	0.115	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-10.4	-171.1	-53.1	0	0	0	0	113.7	I215 F218 T219 T246 M253	I215-V249 HydrophobicContact CD1-CG1 4.46Å; I215-V249 HydrophobicContact CD1-CG2 3.69Å; F218-V249 HydrophobicContact CB-CB 4.18Å; F218-V249 HydrophobicContact CB-CG1 3.38Å; F218-V249 HydrophobicContact CD1-CB 4.44Å; F218-V249 HydrophobicContact CD1-CG1 4.48Å; F218-V249 HydrophobicContact CD2-CB 4.13Å; F218-V249 HydrophobicContact CD2-CG1 4.13Å; F218-V249 HydrophobicContact CG-CB 4.05Å; F218-V249 HydrophobicContact CG-CG1 3.81Å; T219-V249 HydrophobicContact CG2-CG1 3.95Å; T246-V249 WeakPolarHBondContact O-CG2 3.49Å; T246-V249 PolarHBondContact O-N 3.14Å; V249-M253 HydrophobicContact CB-CG 4.44Å; V249-M253 HydrophobicContact CG2-CB 3.65Å; V249-M253 HydrophobicContact CG2-CG 3.88Å
250	G	86.4	Confident	88.6	Confident	34 Å²	34	51.5 Å²	51.5	35%	0.351	27%	0.269	S	S	.	.			trans	98.8	162.7	168.2	0	0	0	0	0	116	T246 R252 M253	T246-G250 PolarHBondContact O-N 2.98Å; T246-G250 VanDerWaalsContact O-N 3.14Å; G250-R252 PolarHBondContact O-N 2.8Å; G250-M253 PolarHBondContact O-N 3.25Å; G250-M253 VanDerWaalsContact O-N 3.1Å
251	Y	91.2	Very high	89	Confident	155 Å²	155	50.8 Å²	50.8	61%	0.608	27%	0.274	S	S	*	.	H	α-helix	trans	-54.8	-29.8	-168.6	178.9	-105.6	0	0	0	115	K254 Q255	Y251-K254 WeakPolarHBondContact O-CB 3.48Å; Y251-K254 PolarHBondContact O-N 2.89Å; Y251-Q255 HydrophobicContact CD1-CG 4.22Å; Y251-Q255 HydrophobicContact CE1-CG 3.78Å; Y251-Q255 HydrophobicContact CE2-CG 4.49Å; Y251-Q255 PolarHBondContact O-N 3.39Å
252	R	93.3	Very high	89.7	Confident	67 Å²	67	52.7 Å²	52.7	25%	0.253	29%	0.288	S	S	.	.	H	α-helix	trans	-71.2	-32.8	-178.3	-53.5	-166	-164.2	-79.1	0.1	112.7	G250 Q255 F256 L277 L280 I281 E284	G250-R252 PolarHBondContact O-N 2.8Å; R252-Q255 PolarHBondContact O-N 3.5Å; R252-F256 PolarHBondContact O-N 3.18Å; R252-L277 HydrophobicContact CB-CD2 4.43Å; R252-L280 VanDerWaalsContact CD-CB 3.45Å; R252-I281 HydrophobicContact CB-CD1 3.91Å; R252-I281 HydrophobicContact CB-CG1 3.68Å; R252-I281 HydrophobicContact CG-CG1 4.25Å; R252-E284 WeakPolarHBondContact CD-OE2 3.45Å; R252-E284 IonicContact CZ-OE1 2.71Å; R252-E284 IonicContact CZ-OE2 2.85Å; R252-E284 IonicContact NE-OE1 3.54Å; R252-E284 PolarHBondContact NE-OE1 3.37Å; R252-E284 IonicContact NE-OE2 3.86Å; R252-E284 PolarHBondContact NE-OE2 3.3Å; R252-E284 IonicContact NH2-OE1 3.88Å; R252-E284 PolarHBondContact NH2-OE1 2.74Å; R252-E284 IonicContact NH2-OE2 3.88Å
253	M	94.3	Very high	90.3	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-71.7	-31.1	171.3	-70.5	-51.3	-56.3	0	0	112	F211 I214 I215 F218 T246 V249 G250 Q255 F256 A257 L278 I281	F211-M253 HydrophobicContact CD2-CE 3.66Å; F211-M253 HydrophobicContact CE2-CE 3.79Å; I214-M253 HydrophobicContact CB-CE 4.3Å; I214-M253 HydrophobicContact CG2-CE 3.48Å; I214-M253 VanDerWaalsContact CG2-CE 3.48Å; I214-M253 HydrophobicContact CG2-SD 3.97Å; I215-M253 HydrophobicContact CD1-CB 4.4Å; I215-M253 HydrophobicContact CD1-CE 4.25Å; F218-M253 HydrophobicContact CD2-CG 4.36Å; F218-M253 HydrophobicContact CE2-CE 4.4Å; F218-M253 HydrophobicContact CE2-CG 3.64Å; F218-M253 HydrophobicContact CE2-SD 3.74Å; F218-M253 HydrophobicContact CZ-CG 4.17Å; F218-M253 HydrophobicContact CZ-SD 4.33Å; T246-M253 HydrophobicContact CG2-CB 4.16Å; V249-M253 HydrophobicContact CB-CG 4.44Å; V249-M253 HydrophobicContact CG2-CB 3.65Å; V249-M253 HydrophobicContact CG2-CG 3.88Å; G250-M253 PolarHBondContact O-N 3.25Å; G250-M253 VanDerWaalsContact O-N 3.1Å; M253-Q255 VanDerWaalsContact C-N 3.33Å; M253-F256 HydrophobicContact CE-CB 4.12Å; M253-F256 HydrophobicContact CE-CD1 4.41Å; M253-F256 HydrophobicContact CE-CD2 4.4Å; M253-F256 HydrophobicContact CE-CG 4.09Å; M253-F256 WeakPolarHBondContact O-CB 3.33Å; M253-F256 PolarHBondContact O-N 2.96Å; M253-F256 HydrophobicContact SD-CB 4.43Å; M253-A257 WeakPolarHBondContact O-CB 3.43Å; M253-A257 PolarHBondContact O-N 2.96Å; M253-L278 HydrophobicContact SD-CD2 3.93Å; M253-I281 HydrophobicContact CG-CD1 3.76Å; M253-I281 HydrophobicContact SD-CD1 3.59Å; M253-I281 VanDerWaalsContact SD-CD1 3.59Å
254	K	93.3	Very high	90.7	Very high	66 Å²	66	55.5 Å²	55.5	29%	0.287	29%	0.29	S	S	.	.	H	α-helix	trans	-61.5	-40.6	168.3	-174.1	169.1	165	168.7	0	111.9	N243 T246 Y251 F256 N258	N243-K254 WeakPolarHBondContact OD1-CE 3.37Å; N243-K254 PolarHBondContact OD1-NZ 3.33Å; T246-K254 HydrophobicContact CG2-CB 4.4Å; T246-K254 WeakPolarHBondContact OG1-CB 3.42Å; Y251-K254 WeakPolarHBondContact O-CB 3.48Å; Y251-K254 PolarHBondContact O-N 2.89Å; K254-F256 VanDerWaalsContact C-N 3.34Å; K254-N258 WeakPolarHBondContact O-CB 3.4Å; K254-N258 PolarHBondContact O-N 2.94Å; K254-N258 PolarHBondContact O-OD1 3.36Å
255	Q	94.1	Very high	90.7	Very high	69 Å²	69	54 Å²	54	32%	0.322	28%	0.281	S	S	.	.	H	α-helix	trans	-66.4	-34.3	173.2	-65	-173.6	-67.2	0	0	112.8	Y251 R252 M253 Y259 L277	Y251-Q255 HydrophobicContact CD1-CG 4.22Å; Y251-Q255 HydrophobicContact CE1-CG 3.78Å; Y251-Q255 HydrophobicContact CE2-CG 4.49Å; Y251-Q255 PolarHBondContact O-N 3.39Å; R252-Q255 PolarHBondContact O-N 3.5Å; M253-Q255 VanDerWaalsContact C-N 3.33Å; Q255-Y259 PolarHBondContact O-N 2.98Å; Q255-L277 HydrophobicContact CB-CD1 3.87Å; Q255-L277 HydrophobicContact CB-CD2 3.8Å
256	F	95.1	Very high	90.7	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-63.7	-54.9	174.3	-166	-67.5	0	0	0	110.2	F211 I214 R252 M253 K254 N258 Y259 V260 L274 L277 L278	F211-F256 HydrophobicContact CB-CD1 4.2Å; F211-F256 HydrophobicContact CB-CE1 4.01Å; F211-F256 AromaticContact CD2-CD1 3.91Å; F211-F256 HydrophobicContact CD2-CD1 3.91Å; F211-F256 HydrophobicContact CD2-CE1 4.48Å; F211-F256 HydrophobicContact CG-CD1 4.47Å; I214-F256 HydrophobicContact CD1-CE2 4.47Å; I214-F256 HydrophobicContact CD1-CZ 4.23Å; R252-F256 PolarHBondContact O-N 3.18Å; M253-F256 HydrophobicContact CE-CB 4.12Å; M253-F256 HydrophobicContact CE-CD1 4.41Å; M253-F256 HydrophobicContact CE-CD2 4.4Å; M253-F256 HydrophobicContact CE-CG 4.09Å; M253-F256 WeakPolarHBondContact O-CB 3.33Å; M253-F256 PolarHBondContact O-N 2.96Å; M253-F256 HydrophobicContact SD-CB 4.43Å; K254-F256 VanDerWaalsContact C-N 3.34Å; F256-N258 PolarHBondContact O-N 3.14Å; F256-Y259 PolarHBondContact O-N 3.46Å; F256-V260 HydrophobicContact CD1-CG2 3.91Å; F256-V260 HydrophobicContact CE1-CG2 3.82Å; F256-V260 PolarHBondContact O-N 2.92Å; F256-L274 HydrophobicContact CB-CD2 4.42Å; F256-L274 HydrophobicContact CD1-CD2 3.84Å; F256-L274 HydrophobicContact CD2-CB 4.4Å; F256-L274 HydrophobicContact CD2-CD2 3.63Å; F256-L274 HydrophobicContact CE1-CD2 3.94Å; F256-L274 HydrophobicContact CE2-CB 3.93Å; F256-L274 HydrophobicContact CE2-CD2 3.74Å; F256-L274 HydrophobicContact CE2-CG 4.3Å; F256-L274 HydrophobicContact CG-CD2 3.68Å; F256-L274 HydrophobicContact CZ-CB 4.34Å; F256-L274 HydrophobicContact CZ-CD1 4.23Å; F256-L274 HydrophobicContact CZ-CD2 3.9Å; F256-L274 HydrophobicContact CZ-CG 4.39Å; F256-L277 HydrophobicContact CB-CD1 4.17Å; F256-L278 HydrophobicContact CD2-CD2 4.18Å; F256-L278 HydrophobicContact CD2-CG 4.23Å; F256-L278 HydrophobicContact CE2-CD1 3.95Å; F256-L278 HydrophobicContact CE2-CD2 4.12Å; F256-L278 HydrophobicContact CE2-CG 3.96Å
257	A	93	Very high	90.6	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-55.7	-51.9	179.3	0	0	0	0	0	112.2	F211 L242 T246 M253 Y259 V260 T261	F211-A257 HydrophobicContact CD2-CB 4.2Å; F211-A257 HydrophobicContact CE1-CB 4.21Å; F211-A257 HydrophobicContact CE2-CB 3.62Å; F211-A257 HydrophobicContact CZ-CB 3.63Å; L242-A257 HydrophobicContact CB-CB 4.47Å; L242-A257 HydrophobicContact CD1-CB 4.21Å; L242-A257 HydrophobicContact CD2-CB 4.24Å; T246-A257 HydrophobicContact CG2-CB 4.38Å; M253-A257 WeakPolarHBondContact O-CB 3.43Å; M253-A257 PolarHBondContact O-N 2.96Å; A257-Y259 PolarHBondContact O-N 3.28Å; A257-V260 PolarHBondContact O-N 3.31Å; A257-T261 WeakPolarHBondContact O-CB 3.06Å; A257-T261 PolarHBondContact O-N 3.41Å; A257-T261 PolarHBondContact O-OG1 3.44Å
258	N	93.7	Very high	90.6	Very high	84 Å²	84	57.4 Å²	57.4	45%	0.449	29%	0.294	S	S	.	.	H	α-helix	trans	-58.6	-35.8	179.8	-73.4	3.9	0	0	0	112.3	K254 F256 S262	K254-N258 WeakPolarHBondContact O-CB 3.4Å; K254-N258 PolarHBondContact O-N 2.94Å; K254-N258 PolarHBondContact O-OD1 3.36Å; F256-N258 PolarHBondContact O-N 3.14Å; N258-S262 PolarHBondContact O-N 3.28Å
259	Y	95.6	Very high	91.2	Very high	29 Å²	29	53.8 Å²	53.8	11%	0.114	27%	0.269	C	S	.	.	H	α-helix	trans	-73.6	-48	177.8	177.6	-121.7	0	0	0	112.4	Q255 F256 A257 T261 S262 L263 D270 K273 L274	Q255-Y259 PolarHBondContact O-N 2.98Å; F256-Y259 PolarHBondContact O-N 3.46Å; A257-Y259 PolarHBondContact O-N 3.28Å; Y259-T261 VanDerWaalsContact C-N 3.31Å; Y259-T261 PolarHBondContact O-N 3.28Å; Y259-S262 WeakPolarHBondContact O-CB 3.33Å; Y259-S262 PolarHBondContact O-N 2.97Å; Y259-S262 PolarHBondContact O-OG 3.49Å; Y259-L263 HydrophobicContact CE1-CD1 4.46Å; Y259-L263 HydrophobicContact CE2-CD2 4.09Å; Y259-D270 HydrophobicContact CE1-CB 4.18Å; Y259-D270 VanDerWaalsContact OH-CB 3.29Å; Y259-D270 WeakPolarHBondContact OH-CB 3.38Å; Y259-D270 PolarHBondContact OH-N 3.31Å; Y259-K273 HydrophobicContact CD1-CD 4Å; Y259-K273 HydrophobicContact CD1-CG 4.47Å; Y259-K273 HydrophobicContact CD2-CD 4.17Å; Y259-K273 HydrophobicContact CE1-CD 4.14Å; Y259-K273 HydrophobicContact CE2-CD 4.29Å; Y259-K273 HydrophobicContact CG-CD 4.04Å; Y259-L274 HydrophobicContact CD1-CD1 4.42Å; Y259-L274 HydrophobicContact CD1-CD2 3.71Å; Y259-L274 HydrophobicContact CD1-CG 3.9Å; Y259-L274 HydrophobicContact CE1-CD1 4.43Å; Y259-L274 HydrophobicContact CE1-CD2 4.45Å; Y259-L274 HydrophobicContact CE1-CG 4.15Å
260	V	94.3	Very high	91.6	Very high	4 Å²	4	56 Å²	56	2%	0.024	28%	0.28	C	S	.	.	H	α-helix	trans	-58.9	-43.9	178.2	175.3	0	0	0	0	111.3	L207 M208 F256 A257 S262 L263 L274	L207-V260 HydrophobicContact CB-CG1 3.92Å; L207-V260 HydrophobicContact CB-CG2 4.15Å; M208-V260 HydrophobicContact CB-CG1 3.99Å; M208-V260 HydrophobicContact CE-CG1 4.38Å; M208-V260 HydrophobicContact SD-CG1 4.43Å; F256-V260 HydrophobicContact CD1-CG2 3.91Å; F256-V260 HydrophobicContact CE1-CG2 3.82Å; F256-V260 PolarHBondContact O-N 2.92Å; A257-V260 PolarHBondContact O-N 3.31Å; V260-S262 PolarHBondContact O-N 2.93Å; V260-L263 WeakPolarHBondContact O-CB 3.43Å; V260-L263 PolarHBondContact O-N 3.28Å; V260-L263 VanDerWaalsContact O-N 3.14Å; V260-L274 HydrophobicContact CG2-CD1 4.16Å; V260-L274 HydrophobicContact CG2-CD2 4.1Å
261	T	91.6	Very high	92	Very high	73 Å²	73	55.8 Å²	55.8	45%	0.448	27%	0.269	S	S	.	.	H	α-helix	trans	-61.4	-25.7	177.7	-46	0	0	0	0	112.9	L242 A257 Y259 L263	L242-T261 HydrophobicContact CD1-CG2 4.37Å; L242-T261 WeakPolarHBondContact CD1-OG1 3.27Å; A257-T261 WeakPolarHBondContact O-CB 3.06Å; A257-T261 PolarHBondContact O-N 3.41Å; A257-T261 PolarHBondContact O-OG1 3.44Å; Y259-T261 VanDerWaalsContact C-N 3.31Å; Y259-T261 PolarHBondContact O-N 3.28Å; T261-L263 VanDerWaalsContact C-N 3.3Å; T261-L263 PolarHBondContact O-N 3.08Å
262	S	93.9	Very high	92	Very high	82 Å²	82	56.7 Å²	56.7	57%	0.573	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-7	179.1	73.8	0	0	0	0	114.7	N258 Y259 V260	N258-S262 PolarHBondContact O-N 3.28Å; Y259-S262 WeakPolarHBondContact O-CB 3.33Å; Y259-S262 PolarHBondContact O-N 2.97Å; Y259-S262 PolarHBondContact O-OG 3.49Å; V260-S262 PolarHBondContact O-N 2.93Å
263	L	93.3	Very high	92	Very high	18 Å²	18	57.6 Å²	57.6	9%	0.094	28%	0.277	C	S	.	.			trans	-86.1	130.5	-176	-65.8	172.9	0	0	0	112.5	R194 A204 L207 Y259 V260 T261 A267 P269	R194-L263 PolarHBondContact NH2-O 3.06Å; A204-L263 HydrophobicContact CB-CB 3.59Å; A204-L263 HydrophobicContact CB-CD1 4.25Å; L207-L263 HydrophobicContact CD1-CD1 4.4Å; Y259-L263 HydrophobicContact CE1-CD1 4.46Å; Y259-L263 HydrophobicContact CE2-CD2 4.09Å; V260-L263 WeakPolarHBondContact O-CB 3.43Å; V260-L263 PolarHBondContact O-N 3.28Å; V260-L263 VanDerWaalsContact O-N 3.14Å; T261-L263 VanDerWaalsContact C-N 3.3Å; T261-L263 PolarHBondContact O-N 3.08Å; L263-A267 HydrophobicContact CB-CB 4.47Å; L263-A267 HydrophobicContact CD2-CB 4.11Å; L263-P269 HydrophobicContact CD1-CB 3.92Å; L263-P269 HydrophobicContact CD1-CG 4.1Å
264	R	90.3	Very high	92	Very high	166 Å²	166	57.6 Å²	57.6	63%	0.626	28%	0.277	S	S	*	.			trans	-68.3	161	166.7	-53.7	-160.1	-49.6	-142.4	4.5	111	D266 A267	R264-D266 WeakPolarHBondContact CB-OD1 3.48Å; R264-D266 IonicContact CZ-OD1 2.96Å; R264-D266 IonicContact CZ-OD2 2.67Å; R264-D266 IonicContact NE-OD1 2.74Å; R264-D266 PolarHBondContact NE-OD1 2.94Å; R264-D266 IonicContact NE-OD2 3.48Å; R264-D266 IonicContact NH2-OD1 3.63Å; R264-D266 PolarHBondContact NH2-OD1 3.49Å; R264-D266 IonicContact NH2-OD2 3.92Å; R264-D266 PolarHBondContact NH2-OD2 3.43Å; R264-D266 PolarHBondContact O-N 3.35Å; R264-A267 HydrophobicContact CB-CB 4.39Å; R264-A267 WeakPolarHBondContact O-CB 3.13Å; R264-A267 PolarHBondContact O-N 3.17Å
265	Y	86.5	Confident	91.9	Very high	71 Å²	71	56.3 Å²	56.3	28%	0.278	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-34.3	177	89	-76	0	0	0	112.4	Q178 E200 G202	Q178-Y265 HydrophobicContact CG-CE2 4.04Å; Q178-Y265 PolarHBondContact NE2-OH 3.22Å; E200-Y265 HydrophobicContact CG-CD2 4.41Å; G202-Y265 WeakPolarHBondContact CA-O 3.36Å
266	D	87.1	Confident	91.8	Very high	33 Å²	33	58.1 Å²	58.1	18%	0.176	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-5.6	-177.4	68.5	-44.4	0	0	0	114.4	R169 L175 R264	R169-D266 PolarHBondContact NH2-O 2.92Å; L175-D266 HydrophobicContact CD1-CB 3.75Å; R264-D266 WeakPolarHBondContact CB-OD1 3.48Å; R264-D266 IonicContact CZ-OD1 2.96Å; R264-D266 IonicContact CZ-OD2 2.67Å; R264-D266 IonicContact NE-OD1 2.74Å; R264-D266 PolarHBondContact NE-OD1 2.94Å; R264-D266 IonicContact NE-OD2 3.48Å; R264-D266 IonicContact NH2-OD1 3.63Å; R264-D266 PolarHBondContact NH2-OD1 3.49Å; R264-D266 IonicContact NH2-OD2 3.92Å; R264-D266 PolarHBondContact NH2-OD2 3.43Å; R264-D266 PolarHBondContact O-N 3.35Å
267	A	87.6	Confident	91.7	Very high	25 Å²	25	58.9 Å²	58.9	21%	0.207	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-71.8	147.7	-174.8	0	0	0	0	0	112.5	L263 R264	L263-A267 HydrophobicContact CB-CB 4.47Å; L263-A267 HydrophobicContact CD2-CB 4.11Å; R264-A267 HydrophobicContact CB-CB 4.39Å; R264-A267 WeakPolarHBondContact O-CB 3.13Å; R264-A267 PolarHBondContact O-N 3.17Å
268	L	85.7	Confident	91.7	Very high	120 Å²	120	58.9 Å²	58.9	63%	0.628	28%	0.284	S	S	*	.	P	Polyproline II helix	trans	-90.3	119.6	165.6	-67.5	174.1	0	0	0	108.6
269	P	92	Very high	91.4	Very high	14 Å²	14	56 Å²	56	9%	0.091	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-72.3	145.6	-177.5	-19.5	32.7	0	0	0	114.2	A203 L207 L263 Y271	A203-P269 HydrophobicContact CB-CG 3.77Å; L207-P269 HydrophobicContact CD1-CB 3.44Å; L207-P269 VanDerWaalsContact CD1-CB 3.44Å; L207-P269 HydrophobicContact CD1-CG 3.5Å; L263-P269 HydrophobicContact CD1-CB 3.92Å; L263-P269 HydrophobicContact CD1-CG 4.1Å; P269-Y271 HydrophobicContact CB-CD2 4.27Å; P269-Y271 HydrophobicContact CB-CE1 4.36Å; P269-Y271 HydrophobicContact CB-CE2 3.84Å; P269-Y271 HydrophobicContact CG-CE2 4.1Å; P269-Y271 WeakPolarHBondContact O-CD2 3.49Å; P269-Y271 WeakPolarHBondContact O-CE2 3.36Å; P269-Y271 PolarHBondContact O-N 2.69Å
270	D	91.9	Very high	91.1	Very high	65 Å²	65	57.1 Å²	57.1	35%	0.348	28%	0.277	S	S	.	.			trans	-81	88.5	163.9	179	-4.4	0	0	0	109.4	Y259 W272 K273	Y259-D270 HydrophobicContact CE1-CB 4.18Å; Y259-D270 VanDerWaalsContact OH-CB 3.29Å; Y259-D270 WeakPolarHBondContact OH-CB 3.38Å; Y259-D270 PolarHBondContact OH-N 3.31Å; D270-W272 VanDerWaalsContact C-N 3.25Å; D270-W272 PolarHBondContact O-N 2.83Å; D270-W272 WeakPolarHBondContact OD1-CB 3.2Å; D270-W272 PolarHBondContact OD1-N 3.25Å; D270-K273 HydrophobicContact CB-CB 4.21Å; D270-K273 VanDerWaalsContact CG-CB 3.41Å; D270-K273 PolarHBondContact OD1-N 3.49Å; D270-K273 VanDerWaalsContact OD2-CB 3.22Å; D270-K273 WeakPolarHBondContact OD2-CB 3.38Å
271	Y	94.2	Very high	90.9	Very high	30 Å²	30	57.1 Å²	57.1	12%	0.118	28%	0.277	C	S	.	.	H	α-helix	trans	-65.1	-27	175.4	-63.1	-86.2	0	0	0	113.2	L125 R129 H132 L207 P269 L274 D275	L125-Y271 HydrophobicContact CD1-CD1 3.89Å; L125-Y271 HydrophobicContact CG-CD1 4.44Å; R129-Y271 HydrophobicContact CB-CD1 3.55Å; R129-Y271 HydrophobicContact CB-CD2 4.19Å; R129-Y271 HydrophobicContact CB-CE1 3.75Å; R129-Y271 HydrophobicContact CB-CE2 4.36Å; R129-Y271 HydrophobicContact CB-CG 3.79Å; R129-Y271 HydrophobicContact CG-CD1 4.02Å; R129-Y271 HydrophobicContact CG-CD2 3.72Å; R129-Y271 HydrophobicContact CG-CE1 4.33Å; R129-Y271 HydrophobicContact CG-CE2 4.06Å; R129-Y271 HydrophobicContact CG-CG 3.71Å; H132-Y271 WeakPolarHBondContact CB-OH 3.47Å; H132-Y271 PolarHBondContact ND1-OH 3.38Å; L207-Y271 HydrophobicContact CD1-CE1 4.07Å; L207-Y271 HydrophobicContact CD2-CD1 4.42Å; L207-Y271 HydrophobicContact CD2-CE1 3.99Å; L207-Y271 HydrophobicContact CG-CE1 4.4Å; P269-Y271 HydrophobicContact CB-CD2 4.27Å; P269-Y271 HydrophobicContact CB-CE1 4.36Å; P269-Y271 HydrophobicContact CB-CE2 3.84Å; P269-Y271 HydrophobicContact CG-CE2 4.1Å; P269-Y271 WeakPolarHBondContact O-CD2 3.49Å; P269-Y271 WeakPolarHBondContact O-CE2 3.36Å; P269-Y271 PolarHBondContact O-N 2.69Å; Y271-L274 PolarHBondContact O-N 2.96Å; Y271-D275 WeakPolarHBondContact O-CB 3.49Å; Y271-D275 PolarHBondContact O-N 3.25Å
272	W	91.3	Very high	90.5	Very high	173 Å²	173	53.8 Å²	53.8	66%	0.655	26%	0.257	S	S	*	.	H	α-helix	trans	-69.9	-40.7	-178.4	175.5	87	0	0	0	111.1	D270 L274 D275 K276	D270-W272 VanDerWaalsContact C-N 3.25Å; D270-W272 PolarHBondContact O-N 2.83Å; D270-W272 WeakPolarHBondContact OD1-CB 3.2Å; D270-W272 PolarHBondContact OD1-N 3.25Å; W272-L274 VanDerWaalsContact C-N 3.32Å; W272-L274 PolarHBondContact O-N 3.29Å; W272-D275 PolarHBondContact O-N 3.04Å; W272-K276 HydrophobicContact CH2-CD 3.83Å; W272-K276 HydrophobicContact CZ2-CD 4.07Å; W272-K276 HydrophobicContact CZ3-CD 4.07Å; W272-K276 WeakPolarHBondContact O-CB 3.39Å; W272-K276 PolarHBondContact O-N 2.95Å
273	K	93	Very high	89.9	Confident	87 Å²	87	56.5 Å²	56.5	38%	0.378	25%	0.254	S	S	.	.	H	α-helix	trans	-59.7	-39.8	172.1	177.3	179.7	-179.8	-175.5	0	112.5	Y259 D270 L277	Y259-K273 HydrophobicContact CD1-CD 4Å; Y259-K273 HydrophobicContact CD1-CG 4.47Å; Y259-K273 HydrophobicContact CD2-CD 4.17Å; Y259-K273 HydrophobicContact CE1-CD 4.14Å; Y259-K273 HydrophobicContact CE2-CD 4.29Å; Y259-K273 HydrophobicContact CG-CD 4.04Å; D270-K273 HydrophobicContact CB-CB 4.21Å; D270-K273 VanDerWaalsContact CG-CB 3.41Å; D270-K273 PolarHBondContact OD1-N 3.49Å; D270-K273 VanDerWaalsContact OD2-CB 3.22Å; D270-K273 WeakPolarHBondContact OD2-CB 3.38Å; K273-L277 WeakPolarHBondContact O-CG 3.2Å; K273-L277 PolarHBondContact O-N 2.83Å
274	L	95.4	Very high	89.5	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-69.4	-45.4	175.9	-68.6	178.1	0	0	0	112.1	L125 L207 F256 Y259 V260 Y271 W272 K276 L277 L278	L125-L274 HydrophobicContact CD1-CB 4.09Å; L125-L274 HydrophobicContact CD1-CD1 3.94Å; L125-L274 HydrophobicContact CD2-CB 3.6Å; L207-L274 HydrophobicContact CD1-CD1 3.97Å; L207-L274 HydrophobicContact CD2-CD1 4.07Å; F256-L274 HydrophobicContact CB-CD2 4.42Å; F256-L274 HydrophobicContact CD1-CD2 3.84Å; F256-L274 HydrophobicContact CD2-CB 4.4Å; F256-L274 HydrophobicContact CD2-CD2 3.63Å; F256-L274 HydrophobicContact CE1-CD2 3.94Å; F256-L274 HydrophobicContact CE2-CB 3.93Å; F256-L274 HydrophobicContact CE2-CD2 3.74Å; F256-L274 HydrophobicContact CE2-CG 4.3Å; F256-L274 HydrophobicContact CG-CD2 3.68Å; F256-L274 HydrophobicContact CZ-CB 4.34Å; F256-L274 HydrophobicContact CZ-CD1 4.23Å; F256-L274 HydrophobicContact CZ-CD2 3.9Å; F256-L274 HydrophobicContact CZ-CG 4.39Å; Y259-L274 HydrophobicContact CD1-CD1 4.42Å; Y259-L274 HydrophobicContact CD1-CD2 3.71Å; Y259-L274 HydrophobicContact CD1-CG 3.9Å; Y259-L274 HydrophobicContact CE1-CD1 4.43Å; Y259-L274 HydrophobicContact CE1-CD2 4.45Å; Y259-L274 HydrophobicContact CE1-CG 4.15Å; V260-L274 HydrophobicContact CG2-CD1 4.16Å; V260-L274 HydrophobicContact CG2-CD2 4.1Å; Y271-L274 PolarHBondContact O-N 2.96Å; W272-L274 VanDerWaalsContact C-N 3.32Å; W272-L274 PolarHBondContact O-N 3.29Å; L274-K276 VanDerWaalsContact C-N 3.31Å; L274-K276 PolarHBondContact O-N 2.96Å; L274-L277 PolarHBondContact O-N 3.31Å; L274-L278 PolarHBondContact O-N 3.15Å
275	D	91.1	Very high	89.1	Confident	40 Å²	40	57.2 Å²	57.2	21%	0.214	26%	0.264	C	S	.	.	H	α-helix	trans	-61.9	-38.9	177.3	-175.3	71.6	0	0	0	112.1	R122 L125 Y271 W272 L277 L278 T279	R122-D275 WeakPolarHBondContact CG-OD1 3.43Å; R122-D275 IonicContact CZ-OD1 3.41Å; R122-D275 IonicContact CZ-OD2 2.63Å; R122-D275 IonicContact NE-OD1 3.42Å; R122-D275 PolarHBondContact NE-OD1 3.46Å; R122-D275 IonicContact NE-OD2 3.27Å; R122-D275 PolarHBondContact NE-OD2 3.18Å; R122-D275 IonicContact NH2-OD1 2.65Å; R122-D275 PolarHBondContact NH2-OD1 2.8Å; R122-D275 IonicContact NH2-OD2 2.67Å; R122-D275 PolarHBondContact NH2-OD2 3.09Å; L125-D275 HydrophobicContact CD2-CB 3.97Å; Y271-D275 WeakPolarHBondContact O-CB 3.49Å; Y271-D275 PolarHBondContact O-N 3.25Å; W272-D275 PolarHBondContact O-N 3.04Å; D275-L277 PolarHBondContact O-N 2.86Å; D275-L278 PolarHBondContact O-N 2.87Å; D275-T279 WeakPolarHBondContact O-CB 3.32Å; D275-T279 PolarHBondContact O-N 2.86Å; D275-T279 PolarHBondContact O-OG1 3.35Å
276	K	90.4	Very high	88.1	Confident	107 Å²	107	56.1 Å²	56.1	47%	0.465	28%	0.275	S	S	.	.	H	α-helix	trans	-62.6	-38.7	175.5	-176.6	174	-179	175.7	0	112.6	W272 L274 L280	W272-K276 HydrophobicContact CH2-CD 3.83Å; W272-K276 HydrophobicContact CZ2-CD 4.07Å; W272-K276 HydrophobicContact CZ3-CD 4.07Å; W272-K276 WeakPolarHBondContact O-CB 3.39Å; W272-K276 PolarHBondContact O-N 2.95Å; L274-K276 VanDerWaalsContact C-N 3.31Å; L274-K276 PolarHBondContact O-N 2.96Å; K276-L280 WeakPolarHBondContact O-CG 3.46Å; K276-L280 PolarHBondContact O-N 2.63Å
277	L	94.3	Very high	87.1	Confident	16 Å²	16	55.5 Å²	55.5	8%	0.084	27%	0.272	C	S	.	.	H	α-helix	trans	-65.1	-47.2	176.1	-73.6	171	0	0	0	111.5	R252 Q255 F256 K273 L274 D275 L280 I281	R252-L277 HydrophobicContact CB-CD2 4.43Å; Q255-L277 HydrophobicContact CB-CD1 3.87Å; Q255-L277 HydrophobicContact CB-CD2 3.8Å; F256-L277 HydrophobicContact CB-CD1 4.17Å; K273-L277 WeakPolarHBondContact O-CG 3.2Å; K273-L277 PolarHBondContact O-N 2.83Å; L274-L277 PolarHBondContact O-N 3.31Å; D275-L277 PolarHBondContact O-N 2.86Å; L277-L280 PolarHBondContact O-N 2.97Å; L277-I281 PolarHBondContact O-N 3.45Å
278	L	92.6	Very high	85.6	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-64.2	-40.9	177	-62.5	175.6	0	0	0	111.8	A118 R122 L125 I214 M253 F256 L274 D275 L280 I281 M282	A118-L278 WeakPolarHBondContact CB-O 3.36Å; R122-L278 HydrophobicContact CG-CB 3.52Å; R122-L278 HydrophobicContact CG-CD1 3.88Å; R122-L278 HydrophobicContact CG-CG 4.37Å; L125-L278 HydrophobicContact CD2-CD1 4.29Å; I214-L278 HydrophobicContact CD1-CD1 4.31Å; I214-L278 HydrophobicContact CD1-CD2 4.39Å; M253-L278 HydrophobicContact SD-CD2 3.93Å; F256-L278 HydrophobicContact CD2-CD2 4.18Å; F256-L278 HydrophobicContact CD2-CG 4.23Å; F256-L278 HydrophobicContact CE2-CD1 3.95Å; F256-L278 HydrophobicContact CE2-CD2 4.12Å; F256-L278 HydrophobicContact CE2-CG 3.96Å; L274-L278 PolarHBondContact O-N 3.15Å; D275-L278 PolarHBondContact O-N 2.87Å; L278-L280 PolarHBondContact O-N 3.43Å; L278-I281 HydrophobicContact CD2-CD1 4.34Å; L278-I281 PolarHBondContact O-N 3.14Å; L278-M282 PolarHBondContact O-N 3.34Å
279	T	87.2	Confident	83.8	Confident	23 Å²	23	56 Å²	56	14%	0.141	28%	0.275	C	S	.	.	H	α-helix	trans	-55.8	-34.3	175	-60.2	0	0	0	0	112.7	R122 D275 R283	R122-T279 PolarHBondContact NE-OG1 3.1Å; R122-T279 VanDerWaalsContact NE-OG1 3.12Å; R122-T279 PolarHBondContact NH1-OG1 3.17Å; R122-T279 PolarHBondContact NH2-OG1 2.94Å; D275-T279 WeakPolarHBondContact O-CB 3.32Å; D275-T279 PolarHBondContact O-N 2.86Å; D275-T279 PolarHBondContact O-OG1 3.35Å; T279-R283 WeakPolarHBondContact O-CG 3.32Å; T279-R283 PolarHBondContact O-N 3.4Å
280	L	88.5	Confident	81.2	Confident	53 Å²	53	57.7 Å²	57.7	28%	0.277	29%	0.287	S	S	.	.	H	α-helix	trans	-74	-37.5	176.8	-69.3	165.9	0	0	0	112.2	R252 K276 L277 L278 M282 R283 E284	R252-L280 VanDerWaalsContact CD-CB 3.45Å; K276-L280 WeakPolarHBondContact O-CG 3.46Å; K276-L280 PolarHBondContact O-N 2.63Å; L277-L280 PolarHBondContact O-N 2.97Å; L278-L280 PolarHBondContact O-N 3.43Å; L280-M282 VanDerWaalsContact C-N 3.34Å; L280-M282 PolarHBondContact O-N 3.44Å; L280-R283 PolarHBondContact O-N 2.89Å; L280-E284 WeakPolarHBondContact O-CG 3.32Å; L280-E284 PolarHBondContact O-N 2.91Å; L280-E284 VanDerWaalsContact O-N 3.14Å
281	I	90.1	Very high	78.9	Confident	3 Å²	3	58.9 Å²	58.9	2%	0.015	29%	0.293	C	S	.	.	H	α-helix	trans	-64.2	-39	175.7	-57.2	171.3	0	0	0	111.4	A118 F218 R252 M253 L277 L278 R283 E284 H285	A118-I281 HydrophobicContact CB-CB 3.86Å; A118-I281 HydrophobicContact CB-CG2 3.97Å; F218-I281 HydrophobicContact CE1-CG2 4.16Å; F218-I281 HydrophobicContact CZ-CD1 4.15Å; F218-I281 HydrophobicContact CZ-CG2 4.05Å; R252-I281 HydrophobicContact CB-CD1 3.91Å; R252-I281 HydrophobicContact CB-CG1 3.68Å; R252-I281 HydrophobicContact CG-CG1 4.25Å; M253-I281 HydrophobicContact CG-CD1 3.76Å; M253-I281 HydrophobicContact SD-CD1 3.59Å; M253-I281 VanDerWaalsContact SD-CD1 3.59Å; L277-I281 PolarHBondContact O-N 3.45Å; L278-I281 HydrophobicContact CD2-CD1 4.34Å; L278-I281 PolarHBondContact O-N 3.14Å; I281-R283 VanDerWaalsContact C-N 3.33Å; I281-R283 PolarHBondContact O-N 2.65Å; I281-E284 PolarHBondContact O-N 3.19Å; I281-H285 PolarHBondContact O-N 3.06Å; I281-H285 PolarHBondContact O-ND1 3.42Å
282	M	84.9	Confident	76.8	Confident	4 Å²	4	60.1 Å²	60.1	2%	0.02	30%	0.301	C	S	.	.	H	α-helix	trans	-53.5	-50.5	173.6	-70.7	179	61.7	0	0	111.4	A118 L119 R122 L278 L280 H285 V287	A118-M282 HydrophobicContact CB-CB 4.49Å; A118-M282 HydrophobicContact CB-CG 3.57Å; L119-M282 HydrophobicContact CB-CE 4.09Å; L119-M282 HydrophobicContact CB-SD 4.28Å; L119-M282 HydrophobicContact CD1-CE 3.76Å; L119-M282 HydrophobicContact CD1-SD 4.4Å; L119-M282 HydrophobicContact CG-CE 4.45Å; R122-M282 VanDerWaalsContact CD-SD 3.54Å; L278-M282 PolarHBondContact O-N 3.34Å; L280-M282 VanDerWaalsContact C-N 3.34Å; L280-M282 PolarHBondContact O-N 3.44Å; M282-H285 PolarHBondContact O-N 3.12Å; M282-V287 CarbonylContact C-O 3.51Å; M282-V287 WeakPolarHBondContact CB-O 3.43Å; M282-V287 HydrophobicContact CE-CG1 4.45Å; M282-V287 CarbonylContact O-C 3.17Å; M282-V287 PolarHBondContact O-N 2.73Å; M282-V287 VanDerWaalsContact O-N 3.16Å
283	R	80.3	Confident	74.8	Confident	139 Å²	139	56.2 Å²	56.2	53%	0.525	30%	0.298	S	S	.	.	H	α-helix	trans	-63.7	-40.2	-177.8	-70.1	173.3	174.5	-165	-5	112.7	T279 L280 I281 H285	T279-R283 WeakPolarHBondContact O-CG 3.32Å; T279-R283 PolarHBondContact O-N 3.4Å; L280-R283 PolarHBondContact O-N 2.89Å; I281-R283 VanDerWaalsContact C-N 3.33Å; I281-R283 PolarHBondContact O-N 2.65Å; R283-H285 VanDerWaalsContact C-N 3.27Å; R283-H285 PolarHBondContact O-N 3.39Å
284	E	85.4	Confident	73.1	Confident	106 Å²	106	53.3 Å²	53.3	50%	0.495	29%	0.286	S	S	.	.	H	α-helix	trans	-62.2	-33.3	178.6	-74.8	172.2	138.2	0	0	113.4	R252 L280 I281	R252-E284 WeakPolarHBondContact CD-OE2 3.45Å; R252-E284 IonicContact CZ-OE1 2.71Å; R252-E284 IonicContact CZ-OE2 2.85Å; R252-E284 IonicContact NE-OE1 3.54Å; R252-E284 PolarHBondContact NE-OE1 3.37Å; R252-E284 IonicContact NE-OE2 3.86Å; R252-E284 PolarHBondContact NE-OE2 3.3Å; R252-E284 IonicContact NH2-OE1 3.88Å; R252-E284 PolarHBondContact NH2-OE1 2.74Å; R252-E284 IonicContact NH2-OE2 3.88Å; L280-E284 WeakPolarHBondContact O-CG 3.32Å; L280-E284 PolarHBondContact O-N 2.91Å; L280-E284 VanDerWaalsContact O-N 3.14Å; I281-E284 PolarHBondContact O-N 3.19Å
285	H	81.9	Confident	70.9	Confident	92 Å²	92	57.9 Å²	57.9	43%	0.426	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	20.4	-171.4	-65	94.2	0	0	0	113.7	P114 I281 M282 R283 V287	P114-H285 HydrophobicContact CB-CB 4.24Å; I281-H285 PolarHBondContact O-N 3.06Å; I281-H285 PolarHBondContact O-ND1 3.42Å; M282-H285 PolarHBondContact O-N 3.12Å; R283-H285 VanDerWaalsContact C-N 3.27Å; R283-H285 PolarHBondContact O-N 3.39Å; H285-V287 PolarHBondContact O-N 2.74Å
286	G	65.8	Low	69.4	Low	49 Å²	49	59.8 Å²	59.8	51%	0.505	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	6	178.8	0	0	0	0	0	114.7	Q288	G286-Q288 PolarHBondContact O-N 3.36Å
287	V	65.4	Low	68.6	Low	20 Å²	20	56.1 Å²	56.1	12%	0.121	32%	0.323	C	S	.	.			trans	-83.1	72.9	168.7	-178	0	0	0	0	107.6	G115 F116 L119 M282 H285 S289	G115-V287 VanDerWaalsContact C-CG2 3.48Å; F116-V287 HydrophobicContact CD2-CG2 3.5Å; F116-V287 VanDerWaalsContact CD2-CG2 3.5Å; F116-V287 HydrophobicContact CE2-CG2 3.64Å; F116-V287 HydrophobicContact CG-CG2 4.31Å; L119-V287 HydrophobicContact CB-CG1 4.49Å; L119-V287 HydrophobicContact CD2-CG1 4.38Å; M282-V287 CarbonylContact C-O 3.51Å; M282-V287 WeakPolarHBondContact CB-O 3.43Å; M282-V287 HydrophobicContact CE-CG1 4.45Å; M282-V287 CarbonylContact O-C 3.17Å; M282-V287 PolarHBondContact O-N 2.73Å; M282-V287 VanDerWaalsContact O-N 3.16Å; H285-V287 PolarHBondContact O-N 2.74Å; V287-S289 PolarHBondContact O-N 2.7Å
288	Q	55	Low	68.2	Low	84 Å²	84	58.3 Å²	58.3	39%	0.393	34%	0.339	S	S	.	.			trans	-68.4	113.9	-179.3	-69.5	173.3	-19	0	0	108.2	G286 S290 L291	G286-Q288 PolarHBondContact O-N 3.36Å; Q288-S290 WeakPolarHBondContact CB-O 3.38Å; Q288-S290 PolarHBondContact O-N 3.35Å; Q288-L291 HydrophobicContact CB-CB 4.32Å; Q288-L291 VanDerWaalsContact CD-CB 3.48Å; Q288-L291 HydrophobicContact CG-CB 3.78Å; Q288-L291 VanDerWaalsContact NE2-CB 3.31Å; Q288-L291 PolarHBondContact NE2-O 3.33Å; Q288-L291 PolarHBondContact OE1-O 2.94Å; Q288-L291 VanDerWaalsContact OE1-O 3.09Å
289	S	48.3	Very low	68.1	Low	71 Å²	71	60.5 Å²	60.5	50%	0.497	35%	0.347	S	S	.	.	S	Bend	trans	-56.4	-24.8	155.4	54.2	0	0	0	0	111	V287	V287-S289 PolarHBondContact O-N 2.7Å
290	S	37.6	Very low	68.1	Low	50 Å²	50	60 Å²	60	35%	0.35	34%	0.344	S	S	.	.	S	Bend	trans	-174.1	140.1	-177.2	60.1	0	0	0	0	106.1	Q288 E295	Q288-S290 WeakPolarHBondContact CB-O 3.38Å; Q288-S290 PolarHBondContact O-N 3.35Å; S290-E295 WeakPolarHBondContact CB-OE1 3.4Å; S290-E295 PolarHBondContact OG-OE1 3.26Å
291	L	43.9	Very low	67.9	Low	90 Å²	90	57.6 Å²	57.6	47%	0.471	33%	0.332	S	S	.	.			trans	141.7	28.5	174.4	-84.3	170	0	0	0	118.4	Q288 E295	Q288-L291 HydrophobicContact CB-CB 4.32Å; Q288-L291 VanDerWaalsContact CD-CB 3.48Å; Q288-L291 HydrophobicContact CG-CB 3.78Å; Q288-L291 VanDerWaalsContact NE2-CB 3.31Å; Q288-L291 PolarHBondContact NE2-O 3.33Å; Q288-L291 PolarHBondContact OE1-O 2.94Å; Q288-L291 VanDerWaalsContact OE1-O 3.09Å; L291-E295 WeakPolarHBondContact CD2-OE2 3.29Å; L291-E295 WeakPolarHBondContact CG-OE2 3.36Å
292	L	50	Low	67.3	Low	56 Å²	56	60.5 Å²	60.5	29%	0.293	35%	0.349	S	S	.	.	S	Bend	trans	-56.6	160.3	146	-83.6	173.6	0	0	0	108.2	F294 E295 V303	L292-F294 HydrophobicContact CB-CB 4.26Å; L292-F294 HydrophobicContact CB-CD2 3.97Å; L292-F294 HydrophobicContact CB-CG 4.5Å; L292-F294 HydrophobicContact CD1-CD2 4.16Å; L292-F294 HydrophobicContact CG-CD2 4.5Å; L292-F294 PolarHBondContact O-N 2.81Å; L292-E295 WeakPolarHBondContact O-CB 3.36Å; L292-E295 PolarHBondContact O-N 2.79Å; L292-V303 HydrophobicContact CD1-CB 3.93Å; L292-V303 HydrophobicContact CD1-CG2 3.77Å
293	P	48.7	Very low	66.7	Low	91 Å²	91	62 Å²	62	59%	0.591	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	1.8	169.7	30.2	-37.2	0	0	0	113.3	A356	P293-A356 HydrophobicContact CB-CB 3.75Å; P293-A356 HydrophobicContact CG-CB 3.88Å
294	F	57.7	Low	66	Low	26 Å²	26	58.7 Å²	58.7	11%	0.114	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	18.2	174.9	-44.8	-54.1	0	0	0	112.4	L292 G296 C297 I300 A352 L353 A356	L292-F294 HydrophobicContact CB-CB 4.26Å; L292-F294 HydrophobicContact CB-CD2 3.97Å; L292-F294 HydrophobicContact CB-CG 4.5Å; L292-F294 HydrophobicContact CD1-CD2 4.16Å; L292-F294 HydrophobicContact CG-CD2 4.5Å; L292-F294 PolarHBondContact O-N 2.81Å; F294-G296 PolarHBondContact O-N 3.49Å; F294-C297 HydrophobicContact CB-CB 4.34Å; F294-C297 VanDerWaalsContact O-CB 3.23Å; F294-C297 WeakPolarHBondContact O-CB 3.25Å; F294-C297 PolarHBondContact O-N 3.04Å; F294-I300 HydrophobicContact CB-CB 3.9Å; F294-I300 HydrophobicContact CB-CG1 3.83Å; F294-I300 HydrophobicContact CB-CG2 3.79Å; F294-I300 HydrophobicContact CD1-CG1 4.37Å; F294-I300 HydrophobicContact CD2-CG2 3.61Å; F294-I300 HydrophobicContact CE2-CG2 4.45Å; F294-I300 HydrophobicContact CG-CB 4.29Å; F294-I300 HydrophobicContact CG-CG1 3.98Å; F294-I300 HydrophobicContact CG-CG2 3.83Å; F294-A352 HydrophobicContact CD1-CB 4.15Å; F294-A352 WeakPolarHBondContact CE1-O 3.43Å; F294-L353 HydrophobicContact CE1-CD1 4.23Å; F294-L353 HydrophobicContact CZ-CD1 3.8Å; F294-A356 HydrophobicContact CD1-CB 4.24Å; F294-A356 HydrophobicContact CE1-CB 3.38Å; F294-A356 HydrophobicContact CZ-CB 3.9Å
295	E	48.6	Very low	65	Low	95 Å²	95	57.3 Å²	57.3	44%	0.444	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	129.3	179.6	-163.1	-177.4	-154.3	0	0	111.2	S290 L291 L292 C297	S290-E295 WeakPolarHBondContact CB-OE1 3.4Å; S290-E295 PolarHBondContact OG-OE1 3.26Å; L291-E295 WeakPolarHBondContact CD2-OE2 3.29Å; L291-E295 WeakPolarHBondContact CG-OE2 3.36Å; L292-E295 WeakPolarHBondContact O-CB 3.36Å; L292-E295 PolarHBondContact O-N 2.79Å; E295-C297 PolarHBondContact O-N 2.86Å
296	G	60.3	Low	64.5	Low	81 Å²	81	56.9 Å²	56.9	84%	0.835	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	-7.8	-176.9	0	0	0	0	0	115.3	F294 P298	F294-G296 PolarHBondContact O-N 3.49Å; G296-P298 VanDerWaalsContact O-CD 3.26Å; G296-P298 WeakPolarHBondContact O-CD 3.25Å
297	C	74.1	Confident	64.8	Low	29 Å²	29	59.4 Å²	59.4	20%	0.196	34%	0.34	C	S	.	.			trans	-77.5	111.9	170.8	-170.4	0	0	0	0	109.6	F294 E295 Y299 I300 A352	F294-C297 HydrophobicContact CB-CB 4.34Å; F294-C297 VanDerWaalsContact O-CB 3.23Å; F294-C297 WeakPolarHBondContact O-CB 3.25Å; F294-C297 PolarHBondContact O-N 3.04Å; E295-C297 PolarHBondContact O-N 2.86Å; C297-Y299 PolarHBondContact O-N 2.88Å; C297-I300 HydrophobicContact CB-CG1 4.25Å; C297-A352 HydrophobicContact CB-CB 4.41Å
298	P	85	Confident	65.2	Low	63 Å²	63	64 Å²	64	41%	0.409	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-18.2	-177.7	31.2	-36.1	0	0	0	112.3	G296 I300 T378 H380	G296-P298 VanDerWaalsContact O-CD 3.26Å; G296-P298 WeakPolarHBondContact O-CD 3.25Å; P298-I300 PolarHBondContact O-N 2.91Å; P298-T378 HydrophobicContact CB-CG2 4.03Å; P298-T378 WeakPolarHBondContact O-CG2 3.38Å; P298-H380 PolarHBondContact O-CD2 3.17Å; P298-H380 VanDerWaalsContact O-CD2 3.26Å; P298-H380 PolarHBondContact O-NE2 3.2Å
299	Y	90.3	Very high	65.9	Low	45 Å²	45	62.4 Å²	62.4	18%	0.176	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	16.5	-175.1	-42.3	-65.1	0	0	0	113.6	C297 Q345 C348 A349 T378 I379 H380 L381	C297-Y299 PolarHBondContact O-N 2.88Å; Y299-Q345 HydrophobicContact CD1-CB 3.75Å; Y299-Q345 HydrophobicContact CD1-CG 4.09Å; Y299-Q345 HydrophobicContact CE1-CB 3.68Å; Y299-Q345 HydrophobicContact CE1-CG 3.51Å; Y299-C348 HydrophobicContact CD2-CB 3.37Å; Y299-C348 HydrophobicContact CE2-CB 3.4Å; Y299-C348 VanDerWaalsContact CE2-CB 3.4Å; Y299-C348 HydrophobicContact CG-CB 4.36Å; Y299-A349 WeakPolarHBondContact O-CB 3.34Å; Y299-T378 HydrophobicContact CD1-CG2 4Å; Y299-T378 HydrophobicContact CE1-CG2 4.39Å; Y299-I379 WeakPolarHBondContact CB-O 3.47Å; Y299-H380 CarbonylContact O-C 3.58Å; Y299-H380 VanDerWaalsContact O-CA 3.27Å; Y299-H380 WeakPolarHBondContact O-CA 3.45Å; Y299-L381 PolarHBondContact O-N 3.22Å
300	I	87	Confident	67.4	Low	12 Å²	12	69.5 Å²	69.5	6%	0.062	39%	0.388	C	S	.	.	S	Bend	trans	-129.5	130.7	178.1	-58	-69.3	0	0	0	108.5	F294 C297 P298 A349 L381 Y384	F294-I300 HydrophobicContact CB-CB 3.9Å; F294-I300 HydrophobicContact CB-CG1 3.83Å; F294-I300 HydrophobicContact CB-CG2 3.79Å; F294-I300 HydrophobicContact CD1-CG1 4.37Å; F294-I300 HydrophobicContact CD2-CG2 3.61Å; F294-I300 HydrophobicContact CE2-CG2 4.45Å; F294-I300 HydrophobicContact CG-CB 4.29Å; F294-I300 HydrophobicContact CG-CG1 3.98Å; F294-I300 HydrophobicContact CG-CG2 3.83Å; C297-I300 HydrophobicContact CB-CG1 4.25Å; P298-I300 PolarHBondContact O-N 2.91Å; I300-A349 HydrophobicContact CD1-CB 4.09Å; I300-L381 HydrophobicContact CD1-CB 4.08Å; I300-L381 HydrophobicContact CD1-CD2 4.38Å; I300-Y384 VanDerWaalsContact CD1-OH 3.24Å; I300-Y384 WeakPolarHBondContact CD1-OH 3.46Å
301	P	85.1	Confident	69.4	Low	4 Å²	4	76.1 Å²	76.1	3%	0.026	41%	0.413	C	S	.	.			trans	-65.5	138.5	-176.2	-9.7	21	0	0	0	111.2	V303 E318 L320 H380 L381 I382	P301-V303 PolarHBondContact O-N 2.88Å; P301-V303 VanDerWaalsContact O-N 3.13Å; P301-E318 HydrophobicContact CB-CB 4.08Å; P301-L320 HydrophobicContact CB-CD1 4.09Å; P301-L320 HydrophobicContact CG-CD1 3.87Å; P301-H380 HydrophobicContact CG-CB 4.16Å; P301-L381 WeakPolarHBondContact CD-O 3.34Å; P301-L381 WeakPolarHBondContact CG-O 3.33Å; P301-I382 HydrophobicContact CG-CG2 3.84Å
302	T	77.3	Confident	70.9	Confident	63 Å²	63	75.1 Å²	75.1	39%	0.387	41%	0.413	S	S	.	.			trans	-65.4	114.6	176.4	-46.5	0	0	0	0	110.1	F304 M317 E318	T302-F304 HydrophobicContact CG2-CD1 3.9Å; T302-F304 HydrophobicContact CG2-CE1 3.59Å; T302-F304 HydrophobicContact CG2-CZ 4.42Å; T302-F304 PolarHBondContact O-N 3.45Å; T302-M317 CarbonylContact O-C 3.53Å; T302-M317 VanDerWaalsContact O-CA 3.27Å; T302-M317 WeakPolarHBondContact O-CA 3.31Å; T302-E318 VanDerWaalsContact CB-OE2 3.26Å; T302-E318 WeakPolarHBondContact CB-OE2 3.41Å; T302-E318 PolarHBondContact N-OE2 3.17Å; T302-E318 PolarHBondContact O-N 2.95Å; T302-E318 PolarHBondContact OG1-OE2 2.93Å
303	V	72.5	Confident	72.2	Confident	36 Å²	36	76.7 Å²	76.7	22%	0.218	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	112.9	172.3	176.7	0	0	0	0	108.9	L292 P301 T306 M315 M317	L292-V303 HydrophobicContact CD1-CB 3.93Å; L292-V303 HydrophobicContact CD1-CG2 3.77Å; P301-V303 PolarHBondContact O-N 2.88Å; P301-V303 VanDerWaalsContact O-N 3.13Å; V303-T306 HydrophobicContact CG1-CG2 3.69Å; V303-M315 HydrophobicContact CG1-CE 4.33Å; V303-M315 HydrophobicContact CG1-CG 3.7Å; V303-M315 HydrophobicContact CG1-SD 4.13Å; V303-M315 HydrophobicContact CG2-CE 4.21Å; V303-M315 HydrophobicContact CG2-CG 4.12Å; V303-M315 HydrophobicContact CG2-SD 3.58Å; V303-M315 VanDerWaalsContact CG2-SD 3.58Å; V303-M317 HydrophobicContact CG2-CB 4.05Å
304	F	66.5	Low	73.7	Confident	69 Å²	69	76.7 Å²	76.7	30%	0.303	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	-27.9	-179.4	-51.1	-60	0	0	0	112.7	T302 V316 M317 E318	T302-F304 HydrophobicContact CG2-CD1 3.9Å; T302-F304 HydrophobicContact CG2-CE1 3.59Å; T302-F304 HydrophobicContact CG2-CZ 4.42Å; T302-F304 PolarHBondContact O-N 3.45Å; F304-V316 HydrophobicContact CD2-CG1 4.38Å; F304-V316 PolarHBondContact N-O 3.46Å; F304-M317 VanDerWaalsContact CE2-C 3.46Å; F304-E318 HydrophobicContact CE2-CB 4.28Å; F304-E318 HydrophobicContact CZ-CB 4.12Å
305	Y	64.2	Low	74.7	Confident	78 Å²	78	80.2 Å²	80.2	31%	0.306	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	149.4	-179.4	-174.1	-117	0	0	0	112	F116 K307 F314 M315 V316	F116-Y305 AromaticContact CE2-CD2 3.91Å; F116-Y305 HydrophobicContact CE2-CD2 3.91Å; F116-Y305 HydrophobicContact CE2-CE2 4.27Å; F116-Y305 HydrophobicContact CZ-CD2 4.02Å; Y305-K307 HydrophobicContact CE1-CB 3.71Å; Y305-K307 HydrophobicContact CE1-CD 4.34Å; Y305-F314 HydrophobicContact CD1-CE2 4Å; Y305-F314 AromaticContact CE1-CE2 3.87Å; Y305-F314 HydrophobicContact CE1-CE2 3.87Å; Y305-F314 HydrophobicContact CE1-CZ 4.21Å; Y305-M315 WeakPolarHBondContact O-CA 3.5Å; Y305-V316 HydrophobicContact CD1-CG2 4.28Å; Y305-V316 PolarHBondContact N-O 2.94Å; Y305-V316 VanDerWaalsContact N-O 3.12Å; Y305-V316 PolarHBondContact O-N 3.18Å
306	T	70.2	Confident	76.1	Confident	83 Å²	83	79 Å²	79	51%	0.509	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	147.3	167	56.7	0	0	0	0	110.2	V303 M315	V303-T306 HydrophobicContact CG1-CG2 3.69Å; T306-M315 HydrophobicContact CG2-CB 4.37Å; T306-M315 HydrophobicContact CG2-CE 3.73Å; T306-M315 HydrophobicContact CG2-CG 4.05Å
307	K	72.3	Confident	77.2	Confident	101 Å²	101	79.1 Å²	79.1	44%	0.439	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	131.5	169.9	-166.9	176.5	-169.2	174	0	111.2	Y305 S313 F314	Y305-K307 HydrophobicContact CE1-CB 3.71Å; Y305-K307 HydrophobicContact CE1-CD 4.34Å; K307-S313 WeakPolarHBondContact O-CA 3.49Å; K307-F314 HydrophobicContact CB-CD1 4.31Å; K307-F314 HydrophobicContact CB-CE1 3.83Å; K307-F314 HydrophobicContact CB-CE2 4.04Å; K307-F314 HydrophobicContact CB-CZ 3.68Å; K307-F314 HydrophobicContact CD-CE1 3.91Å; K307-F314 HydrophobicContact CD-CZ 3.74Å; K307-F314 HydrophobicContact CG-CE1 4.23Å; K307-F314 HydrophobicContact CG-CZ 4.26Å; K307-F314 PolarHBondContact N-O 2.85Å; K307-F314 PolarHBondContact O-N 3.39Å
308	V	74.5	Confident	77.6	Confident	118 Å²	118	79.5 Å²	79.5	72%	0.715	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.2	133	163.1	179.4	0	0	0	0	107.6
309	S	70.5	Confident	77.7	Confident	49 Å²	49	82.1 Å²	82.1	34%	0.343	43%	0.425	S	S	.	.			trans	-127.5	175.8	170.3	77	0	0	0	0	109.7	E311 C312	S309-E311 VanDerWaalsContact C-N 3.26Å; S309-E311 PolarHBondContact O-N 3.38Å; S309-E311 PolarHBondContact OG-N 2.88Å; S309-C312 WeakPolarHBondContact CB-O 3.42Å; S309-C312 PolarHBondContact N-O 3.3Å; S309-C312 PolarHBondContact OG-N 2.97Å; S309-C312 VanDerWaalsContact OG-N 3.07Å; S309-C312 PolarHBondContact OG-O 3.48Å
310	K	79.3	Confident	77.7	Confident	220 Å²	220	80.8 Å²	80.8	96%	0.957	42%	0.421	S	S	*	.	S	Bend	trans	-68.8	-23.7	176.5	-69	-171.5	176.7	-175.4	0	113.6
311	E	78.6	Confident	77.8	Confident	190 Å²	190	80.8 Å²	80.8	89%	0.888	42%	0.424	S	S	*	.	S	Bend	trans	-102.6	-37	-173	-68.6	162.3	-157.2	0	0	112.1	S309	S309-E311 VanDerWaalsContact C-N 3.26Å; S309-E311 PolarHBondContact O-N 3.38Å; S309-E311 PolarHBondContact OG-N 2.88Å
312	C	75.6	Confident	78.1	Confident	68 Å²	68	81.8 Å²	81.8	46%	0.459	43%	0.431	S	S	.	.			trans	-150.7	154.9	177.3	67.3	0	0	0	0	112.7	S309	S309-C312 WeakPolarHBondContact CB-O 3.42Å; S309-C312 PolarHBondContact N-O 3.3Å; S309-C312 PolarHBondContact OG-N 2.97Å; S309-C312 VanDerWaalsContact OG-N 3.07Å; S309-C312 PolarHBondContact OG-O 3.48Å
313	S	78.4	Confident	78.9	Confident	89 Å²	89	80 Å²	80	62%	0.622	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.6	133.8	162.9	-64.5	0	0	0	0	108.8	K307	K307-S313 WeakPolarHBondContact O-CA 3.49Å
314	F	78.9	Confident	79.9	Confident	91 Å²	91	78.3 Å²	78.3	40%	0.399	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	152.7	178.5	66.6	-92.8	0	0	0	112.7	Y305 K307 V316	Y305-F314 HydrophobicContact CD1-CE2 4Å; Y305-F314 AromaticContact CE1-CE2 3.87Å; Y305-F314 HydrophobicContact CE1-CE2 3.87Å; Y305-F314 HydrophobicContact CE1-CZ 4.21Å; K307-F314 HydrophobicContact CB-CD1 4.31Å; K307-F314 HydrophobicContact CB-CE1 3.83Å; K307-F314 HydrophobicContact CB-CE2 4.04Å; K307-F314 HydrophobicContact CB-CZ 3.68Å; K307-F314 HydrophobicContact CD-CE1 3.91Å; K307-F314 HydrophobicContact CD-CZ 3.74Å; K307-F314 HydrophobicContact CG-CE1 4.23Å; K307-F314 HydrophobicContact CG-CZ 4.26Å; K307-F314 PolarHBondContact N-O 2.85Å; K307-F314 PolarHBondContact O-N 3.39Å; F314-V316 HydrophobicContact CD2-CG2 4.39Å
315	M	79.5	Confident	81.2	Confident	100 Å²	100	76 Å²	76	49%	0.493	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	128.9	-180	176.9	178.4	-75.4	0	0	107.8	V303 Y305 T306 M317	V303-M315 HydrophobicContact CG1-CE 4.33Å; V303-M315 HydrophobicContact CG1-CG 3.7Å; V303-M315 HydrophobicContact CG1-SD 4.13Å; V303-M315 HydrophobicContact CG2-CE 4.21Å; V303-M315 HydrophobicContact CG2-CG 4.12Å; V303-M315 HydrophobicContact CG2-SD 3.58Å; V303-M315 VanDerWaalsContact CG2-SD 3.58Å; Y305-M315 WeakPolarHBondContact O-CA 3.5Å; T306-M315 HydrophobicContact CG2-CB 4.37Å; T306-M315 HydrophobicContact CG2-CE 3.73Å; T306-M315 HydrophobicContact CG2-CG 4.05Å; M315-M317 HydrophobicContact CG-CB 4.37Å; M315-M317 HydrophobicContact SD-SD 4.32Å
316	V	78.3	Confident	82.4	Confident	71 Å²	71	77 Å²	77	43%	0.43	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	114.3	171.3	-170.3	0	0	0	0	106.6	F304 Y305 F314	F304-V316 HydrophobicContact CD2-CG1 4.38Å; F304-V316 PolarHBondContact N-O 3.46Å; Y305-V316 HydrophobicContact CD1-CG2 4.28Å; Y305-V316 PolarHBondContact N-O 2.94Å; Y305-V316 VanDerWaalsContact N-O 3.12Å; Y305-V316 PolarHBondContact O-N 3.18Å; F314-V316 HydrophobicContact CD2-CG2 4.39Å
317	M	82.7	Confident	83.4	Confident	82 Å²	82	73.1 Å²	73.1	40%	0.404	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	173.9	-176.9	69.6	-176.2	-178	0	0	111.4	T302 V303 F304 M315 L319	T302-M317 CarbonylContact O-C 3.53Å; T302-M317 VanDerWaalsContact O-CA 3.27Å; T302-M317 WeakPolarHBondContact O-CA 3.31Å; V303-M317 HydrophobicContact CG2-CB 4.05Å; F304-M317 VanDerWaalsContact CE2-C 3.46Å; M315-M317 HydrophobicContact CG-CB 4.37Å; M315-M317 HydrophobicContact SD-SD 4.32Å; M317-L319 PolarHBondContact O-N 3.1Å
318	E	82.6	Confident	84.1	Confident	37 Å²	37	70.4 Å²	70.4	17%	0.173	38%	0.375	C	S	.	.			trans	-54.7	131.3	176.8	-168.5	156.1	-163.5	0	0	112.4	P301 T302 F304 L320 K375	P301-E318 HydrophobicContact CB-CB 4.08Å; T302-E318 VanDerWaalsContact CB-OE2 3.26Å; T302-E318 WeakPolarHBondContact CB-OE2 3.41Å; T302-E318 PolarHBondContact N-OE2 3.17Å; T302-E318 PolarHBondContact O-N 2.95Å; T302-E318 PolarHBondContact OG1-OE2 2.93Å; F304-E318 HydrophobicContact CE2-CB 4.28Å; F304-E318 HydrophobicContact CZ-CB 4.12Å; E318-L320 HydrophobicContact CG-CD2 4.27Å; E318-K375 WeakPolarHBondContact OE1-CD 3.49Å; E318-K375 VanDerWaalsContact OE1-CE 3.31Å; E318-K375 WeakPolarHBondContact OE1-CE 3.42Å; E318-K375 IonicContact OE1-NZ 3.73Å; E318-K375 PolarHBondContact OE1-NZ 2.67Å; E318-K375 IonicContact OE2-NZ 3.67Å; E318-K375 PolarHBondContact OE2-NZ 3.12Å
319	L	87.7	Confident	84.7	Confident	118 Å²	118	72.5 Å²	72.5	62%	0.618	37%	0.374	S	S	*	.			trans	-82	123.8	178.9	179.9	62.6	0	0	0	109.2	M317 L372	M317-L319 PolarHBondContact O-N 3.1Å; L319-L372 HydrophobicContact CG-CD1 4.16Å; L319-L372 WeakPolarHBondContact O-CD1 3.38Å
320	L	89.9	Confident	85.2	Confident	18 Å²	18	74.8 Å²	74.8	9%	0.094	38%	0.383	C	S	.	.			trans	-114.7	167.9	-172.5	-63.5	174.6	0	0	0	112.6	P301 E318 A369 H380 I382	P301-L320 HydrophobicContact CB-CD1 4.09Å; P301-L320 HydrophobicContact CG-CD1 3.87Å; E318-L320 HydrophobicContact CG-CD2 4.27Å; L320-A369 HydrophobicContact CB-CB 4.1Å; L320-A369 HydrophobicContact CD1-CB 4.19Å; L320-H380 HydrophobicContact CD1-CB 3.71Å; L320-H380 HydrophobicContact CD2-CB 4.44Å; L320-I382 HydrophobicContact CD1-CG2 3.72Å
321	G	89	Confident	84.8	Confident	12 Å²	12	67.3 Å²	67.3	12%	0.124	37%	0.368	C	S	.	.			trans	-75	-166.8	174.4	0	0	0	0	0	113.5	V370	G321-V370 WeakPolarHBondContact CA-O 3.39Å; G321-V370 PolarHBondContact N-O 3.21Å
322	P	91.6	Very high	84.7	Confident	25 Å²	25	59.9 Å²	59.9	16%	0.162	33%	0.333	C	S	.	.			trans	-67.3	156.9	175.4	28.2	-32.6	0	0	0	112.1	M326 I327 V370 L521	P322-M326 HydrophobicContact CB-CB 3.92Å; P322-M326 HydrophobicContact CB-CG 3.91Å; P322-I327 HydrophobicContact CB-CG1 4.44Å; P322-I327 HydrophobicContact CG-CD1 4.36Å; P322-I327 HydrophobicContact CG-CG1 4.01Å; P322-V370 HydrophobicContact CG-CG2 4.41Å; P322-V370 PolarHBondContact O-N 3.42Å; P322-L521 HydrophobicContact CG-CD1 4.36Å; P322-L521 HydrophobicContact CG-CD2 3.37Å
323	S	94.8	Very high	84.9	Confident	25 Å²	25	63.4 Å²	63.4	18%	0.175	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-76.4	159.9	172.8	59.9	0	0	0	0	112.8	S325 M326 I327 A366 F368	S323-S325 PolarHBondContact O-N 2.83Å; S323-M326 WeakPolarHBondContact O-CA 3.21Å; S323-M326 WeakPolarHBondContact O-CB 3.39Å; S323-M326 PolarHBondContact O-N 3.23Å; S323-I327 PolarHBondContact O-N 3.19Å; S323-A366 WeakPolarHBondContact CB-O 3.41Å; S323-F368 CarbonylContact C-O 3.18Å; S323-F368 WeakPolarHBondContact CA-O 3.39Å; S323-F368 VanDerWaalsContact CB-O 3.22Å; S323-F368 WeakPolarHBondContact CB-O 3.36Å
324	L	93.6	Very high	85.4	Confident	0 Å²	0	60 Å²	60	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-55.2	-34.7	176.9	-61.1	176.7	0	0	0	111.9	M326 I327 R328 I342 P365 F368 I379 W517	L324-M326 VanDerWaalsContact C-N 3.32Å; L324-M326 PolarHBondContact O-N 2.9Å; L324-I327 HydrophobicContact CD2-CD1 4.4Å; L324-I327 PolarHBondContact O-N 3.44Å; L324-R328 PolarHBondContact O-N 3.23Å; L324-I342 HydrophobicContact CD1-CG2 3.6Å; L324-P365 HydrophobicContact CB-CB 4.16Å; L324-P365 WeakPolarHBondContact CB-O 3.06Å; L324-P365 PolarHBondContact N-O 3.42Å; L324-P365 VanDerWaalsContact N-O 3.15Å; L324-F368 HydrophobicContact CD1-CB 3.76Å; L324-F368 HydrophobicContact CD1-CG 4.44Å; L324-F368 HydrophobicContact CG-CB 4.07Å; L324-F368 PolarHBondContact N-O 3.2Å; L324-I379 HydrophobicContact CD1-CG2 4.3Å; L324-I379 HydrophobicContact CD2-CD1 4.26Å; L324-W517 HydrophobicContact CD2-CH2 4.04Å; L324-W517 HydrophobicContact CD2-CZ2 4.48Å
325	S	92.7	Very high	86	Confident	22 Å²	22	58.4 Å²	58.4	15%	0.154	32%	0.317	C	S	.	.	H	α-helix	trans	-59.2	-40.7	172.4	-170	0	0	0	0	112.6	S323 K329 P365	S323-S325 PolarHBondContact O-N 2.83Å; S325-K329 WeakPolarHBondContact O-CB 3.29Å; S325-K329 VanDerWaalsContact O-CG 3.25Å; S325-K329 WeakPolarHBondContact O-CG 3.36Å; S325-K329 PolarHBondContact O-N 3.23Å; S325-K329 VanDerWaalsContact O-N 3.1Å; S325-P365 PolarHBondContact N-O 2.87Å
326	M	90.8	Very high	86.6	Confident	97 Å²	97	56.2 Å²	56.2	48%	0.478	31%	0.31	S	S	.	.	H	α-helix	trans	-75.5	-35.8	179.2	-169.6	72.1	170	0	0	111.6	P322 S323 L324 K329 N330	P322-M326 HydrophobicContact CB-CB 3.92Å; P322-M326 HydrophobicContact CB-CG 3.91Å; S323-M326 WeakPolarHBondContact O-CA 3.21Å; S323-M326 WeakPolarHBondContact O-CB 3.39Å; S323-M326 PolarHBondContact O-N 3.23Å; L324-M326 VanDerWaalsContact C-N 3.32Å; L324-M326 PolarHBondContact O-N 2.9Å; M326-K329 PolarHBondContact O-N 2.68Å; M326-N330 PolarHBondContact O-N 2.95Å
327	I	89.8	Confident	87.3	Confident	3 Å²	3	52.9 Å²	52.9	2%	0.015	29%	0.29	C	S	.	.	H	α-helix	trans	-63.5	-48.2	173.7	-67.7	161.7	0	0	0	110.6	P322 S323 L324 K329 N330 H332 F334 V370 W517	P322-I327 HydrophobicContact CB-CG1 4.44Å; P322-I327 HydrophobicContact CG-CD1 4.36Å; P322-I327 HydrophobicContact CG-CG1 4.01Å; S323-I327 PolarHBondContact O-N 3.19Å; L324-I327 HydrophobicContact CD2-CD1 4.4Å; L324-I327 PolarHBondContact O-N 3.44Å; I327-K329 VanDerWaalsContact C-N 3.33Å; I327-K329 PolarHBondContact O-N 2.89Å; I327-N330 WeakPolarHBondContact O-CB 3.04Å; I327-N330 PolarHBondContact O-N 3.33Å; I327-N330 VanDerWaalsContact O-N 3.1Å; I327-H332 HydrophobicContact CG2-CB 3.97Å; I327-F334 HydrophobicContact CG2-CE1 4.18Å; I327-F334 HydrophobicContact CG2-CZ 4.09Å; I327-V370 HydrophobicContact CD1-CG1 3.63Å; I327-V370 HydrophobicContact CD1-CG2 4.3Å; I327-W517 HydrophobicContact CD1-CD2 3.93Å; I327-W517 HydrophobicContact CD1-CE3 4.37Å; I327-W517 HydrophobicContact CD1-CG 4.06Å; I327-W517 HydrophobicContact CG2-CB 3.92Å; I327-W517 HydrophobicContact CG2-CD2 4.08Å; I327-W517 HydrophobicContact CG2-CE3 3.73Å; I327-W517 HydrophobicContact CG2-CG 4.23Å
328	R	88.4	Confident	87.8	Confident	44 Å²	44	50 Å²	50	17%	0.166	28%	0.277	C	S	.	.	H	α-helix	trans	-63.7	-36.3	176.5	-162.1	180	67.2	-146.8	-9.3	112.4	L324 N330 G331 F334 E438	L324-R328 PolarHBondContact O-N 3.23Å; R328-N330 PolarHBondContact O-N 3.36Å; R328-G331 PolarHBondContact O-N 3.13Å; R328-F334 HydrophobicContact CB-CE2 3.99Å; R328-F334 HydrophobicContact CB-CZ 4.24Å; R328-F334 HydrophobicContact CG-CE2 4.02Å; R328-E438 IonicContact CZ-OE2 3.88Å; R328-E438 PolarHBondContact NH1-O 2.89Å; R328-E438 IonicContact NH1-OE2 2.86Å; R328-E438 PolarHBondContact NH1-OE2 3.35Å; R328-E438 IonicContact NH2-OE1 3.42Å; R328-E438 PolarHBondContact NH2-OE1 3.04Å; R328-E438 IonicContact NH2-OE2 2.79Å; R328-E438 PolarHBondContact NH2-OE2 3.2Å
329	K	85.5	Confident	88.4	Confident	161 Å²	161	48.4 Å²	48.4	70%	0.7	27%	0.269	S	S	*	.	H	α-helix	trans	-61.2	-24.5	173.9	-82.5	175.6	179.1	-176.5	0	113.8	S325 M326 I327 G331	S325-K329 WeakPolarHBondContact O-CB 3.29Å; S325-K329 VanDerWaalsContact O-CG 3.25Å; S325-K329 WeakPolarHBondContact O-CG 3.36Å; S325-K329 PolarHBondContact O-N 3.23Å; S325-K329 VanDerWaalsContact O-N 3.1Å; M326-K329 PolarHBondContact O-N 2.68Å; I327-K329 VanDerWaalsContact C-N 3.33Å; I327-K329 PolarHBondContact O-N 2.89Å; K329-G331 PolarHBondContact O-N 2.88Å
330	N	80.8	Confident	88.8	Confident	98 Å²	98	42.8 Å²	42.8	52%	0.524	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	15.3	173.5	-65.1	-19.2	0	0	0	113.1	M326 I327 R328	M326-N330 PolarHBondContact O-N 2.95Å; I327-N330 WeakPolarHBondContact O-CB 3.04Å; I327-N330 PolarHBondContact O-N 3.33Å; I327-N330 VanDerWaalsContact O-N 3.1Å; R328-N330 PolarHBondContact O-N 3.36Å
331	G	72.1	Confident	89	Confident	62 Å²	62	42 Å²	42	64%	0.639	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.8	7.4	176.9	0	0	0	0	0	114.9	R328 K329 Q333	R328-G331 PolarHBondContact O-N 3.13Å; K329-G331 PolarHBondContact O-N 2.88Å; G331-Q333 PolarHBondContact O-N 3.01Å
332	H	76	Confident	89.3	Confident	35 Å²	35	41.5 Å²	41.5	16%	0.162	23%	0.23	C	C	.	.			trans	-76	114.9	179.6	-147.5	87.8	0	0	0	110.9	I327 F334 G516	I327-H332 HydrophobicContact CG2-CB 3.97Å; H332-F334 HydrophobicContact CB-CE1 4.35Å; H332-F334 AromaticContact CD2-CD1 3.75Å; H332-F334 AromaticContact CD2-CE1 3.54Å; H332-G516 VanDerWaalsContact CE1-CA 3.47Å; H332-G516 WeakPolarHBondContact CE1-CA 3.11Å; H332-G516 PolarHBondContact CE1-O 3.09Å
333	Q	80.3	Confident	89.6	Confident	142 Å²	142	40.3 Å²	40.3	66%	0.664	22%	0.223	S	C	*	.			trans	-91.5	148.3	169	-65.4	-176.6	-10.1	0	0	109.6	G331	G331-Q333 PolarHBondContact O-N 3.01Å
334	F	88.8	Confident	89.6	Confident	17 Å²	17	41.1 Å²	41.1	8%	0.075	22%	0.223	C	C	.	.			trans	-114.1	133.6	-177.4	-49.2	-65.9	0	0	0	109.8	I327 R328 H332 V338 V339 I342 L439 W517	I327-F334 HydrophobicContact CG2-CE1 4.18Å; I327-F334 HydrophobicContact CG2-CZ 4.09Å; R328-F334 HydrophobicContact CB-CE2 3.99Å; R328-F334 HydrophobicContact CB-CZ 4.24Å; R328-F334 HydrophobicContact CG-CE2 4.02Å; H332-F334 HydrophobicContact CB-CE1 4.35Å; H332-F334 AromaticContact CD2-CD1 3.75Å; H332-F334 AromaticContact CD2-CE1 3.54Å; F334-V338 HydrophobicContact CB-CG1 4.27Å; F334-V338 HydrophobicContact CD1-CG1 4.19Å; F334-V339 HydrophobicContact CB-CG2 3.43Å; F334-V339 VanDerWaalsContact CB-CG2 3.43Å; F334-V339 HydrophobicContact CG-CG2 4.39Å; F334-I342 HydrophobicContact CD1-CD1 3.95Å; F334-I342 HydrophobicContact CE1-CD1 4.23Å; F334-I342 HydrophobicContact CG-CD1 4.11Å; F334-L439 HydrophobicContact CD2-CB 4.38Å; F334-L439 HydrophobicContact CD2-CD2 3.69Å; F334-L439 HydrophobicContact CE2-CD2 3.45Å; F334-L439 VanDerWaalsContact CE2-CD2 3.45Å; F334-W517 HydrophobicContact CD1-CZ3 4.07Å; F334-W517 AromaticContact CE1-CE3 3.83Å; F334-W517 HydrophobicContact CE1-CE3 3.83Å; F334-W517 AromaticContact CE1-CZ3 3.53Å; F334-W517 HydrophobicContact CE1-CZ3 3.53Å; F334-W517 HydrophobicContact CZ-CZ3 4.41Å
335	S	90.8	Very high	89.7	Confident	57 Å²	57	42.2 Å²	42.2	40%	0.399	23%	0.228	S	C	.	.			trans	-72.4	157.3	170.9	66.7	0	0	0	0	110.6	G337 V338 V339	S335-G337 VanDerWaalsContact C-N 3.25Å; S335-G337 PolarHBondContact O-N 3.44Å; S335-V338 CarbonylContact O-C 3.55Å; S335-V338 WeakPolarHBondContact O-CA 3.38Å; S335-V338 PolarHBondContact O-N 2.91Å; S335-V338 WeakPolarHBondContact OG-CG2 3.38Å; S335-V338 PolarHBondContact OG-N 3.13Å; S335-V339 WeakPolarHBondContact O-CG2 3.39Å; S335-V339 PolarHBondContact O-N 3.39Å
336	P	92.3	Very high	89.9	Confident	55 Å²	55	41.1 Å²	41.1	36%	0.357	22%	0.221	S	C	.	.	H	α-helix	trans	-53.7	-39	-179.8	-28.3	36.2	0	0	0	113.8	V339 A340 M440	P336-V339 PolarHBondContact O-N 3.47Å; P336-A340 WeakPolarHBondContact O-CB 3.49Å; P336-A340 PolarHBondContact O-N 3.06Å; P336-M440 HydrophobicContact CB-CE 4.15Å
337	G	93.6	Very high	90.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65	-38.6	173.6	0	0	0	0	0	114	S335 A340 M341 N507	S335-G337 VanDerWaalsContact C-N 3.25Å; S335-G337 PolarHBondContact O-N 3.44Å; G337-A340 PolarHBondContact O-N 2.6Å; G337-M341 PolarHBondContact O-N 3.13Å; G337-N507 PolarHBondContact N-OD1 3.18Å
338	V	92.9	Very high	90.4	Very high	23 Å²	23	37.7 Å²	37.7	14%	0.139	21%	0.206	C	C	.	.	H	α-helix	trans	-70.8	-37.7	174.6	172.3	0	0	0	0	111.1	F334 S335 A340 M341 I342 F515	F334-V338 HydrophobicContact CB-CG1 4.27Å; F334-V338 HydrophobicContact CD1-CG1 4.19Å; S335-V338 CarbonylContact O-C 3.55Å; S335-V338 WeakPolarHBondContact O-CA 3.38Å; S335-V338 PolarHBondContact O-N 2.91Å; S335-V338 WeakPolarHBondContact OG-CG2 3.38Å; S335-V338 PolarHBondContact OG-N 3.13Å; V338-A340 VanDerWaalsContact C-N 3.31Å; V338-A340 PolarHBondContact O-N 2.88Å; V338-M341 PolarHBondContact O-N 2.72Å; V338-I342 HydrophobicContact CG1-CD1 4.06Å; V338-I342 VanDerWaalsContact O-CG1 3.27Å; V338-I342 WeakPolarHBondContact O-CG1 3.23Å; V338-I342 PolarHBondContact O-N 2.85Å; V338-F515 HydrophobicContact CG1-CD1 4.12Å; V338-F515 HydrophobicContact CG1-CE1 4.35Å
339	V	95.2	Very high	90.7	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.012	20%	0.198	C	C	.	.	H	α-helix	trans	-64.6	-37.4	172.5	-177.3	0	0	0	0	111.3	F334 S335 P336 I342 G343 L436 L439 M440	F334-V339 HydrophobicContact CB-CG2 3.43Å; F334-V339 VanDerWaalsContact CB-CG2 3.43Å; F334-V339 HydrophobicContact CG-CG2 4.39Å; S335-V339 WeakPolarHBondContact O-CG2 3.39Å; S335-V339 PolarHBondContact O-N 3.39Å; P336-V339 PolarHBondContact O-N 3.47Å; V339-I342 PolarHBondContact O-N 2.82Å; V339-G343 PolarHBondContact O-N 3.24Å; V339-L436 HydrophobicContact CG1-CD2 4Å; V339-L439 HydrophobicContact CB-CB 4.49Å; V339-L439 HydrophobicContact CG1-CB 3.67Å; V339-L439 HydrophobicContact CG1-CD1 4.41Å; V339-L439 HydrophobicContact CG2-CB 3.94Å; V339-L439 WeakPolarHBondContact CG2-O 3.43Å; V339-M440 HydrophobicContact CB-CG 3.94Å; V339-M440 HydrophobicContact CG1-CG 3.7Å; V339-M440 HydrophobicContact CG2-CG 4.03Å
340	A	96.2	Very high	91.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-65.2	-40.7	174.7	0	0	0	0	0	112.1	P336 G337 V338 G343 K344 L500 M503 M504	P336-A340 WeakPolarHBondContact O-CB 3.49Å; P336-A340 PolarHBondContact O-N 3.06Å; G337-A340 PolarHBondContact O-N 2.6Å; V338-A340 VanDerWaalsContact C-N 3.31Å; V338-A340 PolarHBondContact O-N 2.88Å; A340-G343 PolarHBondContact O-N 2.97Å; A340-K344 WeakPolarHBondContact O-CB 3.39Å; A340-K344 PolarHBondContact O-N 3.29Å; A340-L500 HydrophobicContact CB-CD2 4.3Å; A340-L500 WeakPolarHBondContact CB-O 3.28Å; A340-M503 HydrophobicContact CB-CB 3.69Å; A340-M503 HydrophobicContact CB-CE 4.42Å; A340-M504 HydrophobicContact CB-CG 3.68Å
341	M	94.3	Very high	91.8	Very high	3 Å²	3	25 Å²	25	2%	0.015	15%	0.148	C	C	.	.	H	α-helix	trans	-63.9	-43.9	173.7	-174	162	71.2	0	0	112.8	G337 V338 G343 K344 Q345 M504 V509 T513 F515	G337-M341 PolarHBondContact O-N 3.13Å; V338-M341 PolarHBondContact O-N 2.72Å; M341-G343 VanDerWaalsContact C-N 3.35Å; M341-K344 PolarHBondContact O-N 2.99Å; M341-Q345 PolarHBondContact O-N 2.75Å; M341-M504 HydrophobicContact CB-CE 3.91Å; M341-M504 HydrophobicContact CB-CG 4.4Å; M341-M504 HydrophobicContact CB-SD 4.03Å; M341-M504 HydrophobicContact CG-CE 3.96Å; M341-M504 HydrophobicContact SD-CE 4.09Å; M341-V509 HydrophobicContact CB-CG1 4.34Å; M341-V509 HydrophobicContact CE-CG1 4.07Å; M341-V509 HydrophobicContact SD-CG1 3.87Å; M341-T513 WeakPolarHBondContact CE-O 3.49Å; M341-F515 HydrophobicContact CE-CD1 3.83Å; M341-F515 HydrophobicContact CE-CD2 4.5Å; M341-F515 HydrophobicContact CE-CE1 3.42Å; M341-F515 VanDerWaalsContact CE-CE1 3.42Å; M341-F515 HydrophobicContact CE-CE2 4.13Å; M341-F515 HydrophobicContact CE-CG 4.38Å; M341-F515 HydrophobicContact CE-CZ 3.6Å; M341-F515 HydrophobicContact CG-CE1 4.26Å; M341-F515 HydrophobicContact CG-CZ 3.99Å; M341-F515 HydrophobicContact SD-CZ 4.3Å
342	I	95.7	Very high	92.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-57.3	-50.1	170.4	-71.1	166.7	0	0	0	110.1	L324 F334 V338 V339 K344 Q345 C346 I379 L439 F515 W517	L324-I342 HydrophobicContact CD1-CG2 3.6Å; F334-I342 HydrophobicContact CD1-CD1 3.95Å; F334-I342 HydrophobicContact CE1-CD1 4.23Å; F334-I342 HydrophobicContact CG-CD1 4.11Å; V338-I342 HydrophobicContact CG1-CD1 4.06Å; V338-I342 VanDerWaalsContact O-CG1 3.27Å; V338-I342 WeakPolarHBondContact O-CG1 3.23Å; V338-I342 PolarHBondContact O-N 2.85Å; V339-I342 PolarHBondContact O-N 2.82Å; I342-K344 VanDerWaalsContact C-N 3.32Å; I342-K344 PolarHBondContact O-N 2.72Å; I342-Q345 PolarHBondContact O-N 3.16Å; I342-C346 WeakPolarHBondContact O-CB 3.43Å; I342-C346 PolarHBondContact O-N 3.45Å; I342-C346 PolarHBondContact O-SG 3.35Å; I342-I379 HydrophobicContact CB-CD1 4.19Å; I342-I379 HydrophobicContact CG1-CD1 3.93Å; I342-I379 HydrophobicContact CG2-CD1 4.15Å; I342-L439 HydrophobicContact CG2-CD1 4.15Å; I342-F515 HydrophobicContact CG1-CE1 3.91Å; I342-W517 HydrophobicContact CD1-CH2 3.91Å; I342-W517 HydrophobicContact CD1-CZ3 3.93Å; I342-W517 HydrophobicContact CG1-CH2 3.92Å; I342-W517 HydrophobicContact CG1-CZ3 4.44Å
343	G	96.6	Very high	93.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-59.2	-40.8	-178.3	0	0	0	0	0	112.4	V339 A340 M341 C346 L347 F432	V339-G343 PolarHBondContact O-N 3.24Å; A340-G343 PolarHBondContact O-N 2.97Å; M341-G343 VanDerWaalsContact C-N 3.35Å; G343-C346 PolarHBondContact O-N 3.34Å; G343-L347 WeakPolarHBondContact O-CB 3.28Å; G343-L347 PolarHBondContact O-N 3.27Å; G343-F432 WeakPolarHBondContact O-CZ 3.09Å
344	K	95.7	Very high	94	Very high	42 Å²	42	14.2 Å²	14.2	18%	0.183	8%	0.083	C	C	.	.	H	α-helix	trans	-59.7	-52.7	177.4	-167.5	174.6	-176.2	175.2	0	111.2	A340 M341 I342 L347 C348 L497 T501 M504 E511	A340-K344 WeakPolarHBondContact O-CB 3.39Å; A340-K344 PolarHBondContact O-N 3.29Å; M341-K344 PolarHBondContact O-N 2.99Å; I342-K344 VanDerWaalsContact C-N 3.32Å; I342-K344 PolarHBondContact O-N 2.72Å; K344-L347 PolarHBondContact O-N 3.48Å; K344-C348 PolarHBondContact O-N 3.33Å; K344-C348 PolarHBondContact O-SG 2.72Å; K344-L497 HydrophobicContact CG-CD2 3.82Å; K344-T501 PolarHBondContact NZ-OG1 3.23Å; K344-M504 HydrophobicContact CD-SD 4.15Å; K344-E511 VanDerWaalsContact CE-OE1 3.32Å; K344-E511 WeakPolarHBondContact CE-OE1 3.45Å; K344-E511 IonicContact NZ-OE1 3.51Å; K344-E511 PolarHBondContact NZ-OE1 3.36Å
345	Q	95.2	Very high	94	Very high	23 Å²	23	19.8 Å²	19.8	11%	0.107	11%	0.109	C	C	.	.	H	α-helix	trans	-62.7	-45.5	177.8	-60.7	-164.5	26.7	0	0	112.5	Y299 M341 I342 L347 C348 A349 R377 I379	Y299-Q345 HydrophobicContact CD1-CB 3.75Å; Y299-Q345 HydrophobicContact CD1-CG 4.09Å; Y299-Q345 HydrophobicContact CE1-CB 3.68Å; Y299-Q345 HydrophobicContact CE1-CG 3.51Å; M341-Q345 PolarHBondContact O-N 2.75Å; I342-Q345 PolarHBondContact O-N 3.16Å; Q345-L347 VanDerWaalsContact C-N 3.31Å; Q345-L347 PolarHBondContact O-N 2.9Å; Q345-C348 PolarHBondContact O-N 3.07Å; Q345-A349 PolarHBondContact O-N 3.27Å; Q345-A349 VanDerWaalsContact O-N 3.13Å; Q345-R377 PolarHBondContact NE2-O 2.84Å; Q345-R377 PolarHBondContact OE1-O 3.36Å; Q345-I379 HydrophobicContact CB-CB 4.24Å; Q345-I379 HydrophobicContact CB-CD1 4.46Å
346	C	97.4	Very high	93.7	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-61.6	-39.8	178.7	-66.2	0	0	0	0	111.9	I342 G343 A349 V350 F368 F432 M435	I342-C346 WeakPolarHBondContact O-CB 3.43Å; I342-C346 PolarHBondContact O-N 3.45Å; I342-C346 PolarHBondContact O-SG 3.35Å; G343-C346 PolarHBondContact O-N 3.34Å; C346-A349 PolarHBondContact O-N 3.44Å; C346-V350 WeakPolarHBondContact O-CG2 3.48Å; C346-V350 PolarHBondContact O-N 3.02Å; C346-V350 VanDerWaalsContact O-N 3.11Å; C346-F368 HydrophobicContact CB-CD1 3.95Å; C346-F368 HydrophobicContact CB-CE1 3.52Å; C346-F368 HydrophobicContact CB-CE2 4.26Å; C346-F368 HydrophobicContact CB-CG 4.47Å; C346-F368 HydrophobicContact CB-CZ 3.7Å; C346-F368 VanDerWaalsContact SG-CD1 3.57Å; C346-F432 HydrophobicContact CB-CE2 4.03Å; C346-M435 HydrophobicContact CB-CE 3.94Å
347	L	97	Very high	93.6	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-69	-41.5	177.4	-175.7	63.4	0	0	0	111.8	G343 K344 Q345 A349 V350 Q351 L429 F432 Y493 I496 L497 L500	G343-L347 WeakPolarHBondContact O-CB 3.28Å; G343-L347 PolarHBondContact O-N 3.27Å; K344-L347 PolarHBondContact O-N 3.48Å; Q345-L347 VanDerWaalsContact C-N 3.31Å; Q345-L347 PolarHBondContact O-N 2.9Å; L347-A349 VanDerWaalsContact C-N 3.27Å; L347-A349 PolarHBondContact O-N 3.25Å; L347-V350 CarbonylContact O-C 3.35Å; L347-V350 PolarHBondContact O-N 3.02Å; L347-V350 VanDerWaalsContact O-N 3.15Å; L347-Q351 VanDerWaalsContact O-CB 3.3Å; L347-Q351 WeakPolarHBondContact O-CB 3.08Å; L347-Q351 PolarHBondContact O-N 3.4Å; L347-L429 HydrophobicContact CD1-CD2 3.67Å; L347-F432 HydrophobicContact CB-CE2 4Å; L347-F432 HydrophobicContact CB-CZ 3.78Å; L347-F432 HydrophobicContact CD1-CE1 4.27Å; L347-F432 HydrophobicContact CD1-CZ 4.3Å; L347-F432 HydrophobicContact CG-CZ 4.44Å; L347-Y493 HydrophobicContact CD1-CD1 3.97Å; L347-Y493 HydrophobicContact CD1-CE1 4.49Å; L347-Y493 HydrophobicContact CG-CD1 4.49Å; L347-I496 HydrophobicContact CD2-CB 3.67Å; L347-I496 HydrophobicContact CD2-CG2 3.39Å; L347-L497 HydrophobicContact CB-CD2 4.42Å; L347-L497 HydrophobicContact CD2-CD2 3.84Å; L347-L497 HydrophobicContact CD2-CG 3.87Å; L347-L497 HydrophobicContact CG-CD2 4.34Å; L347-L500 HydrophobicContact CD2-CD1 3.98Å
348	C	94.3	Very high	93.5	Very high	27 Å²	27	18.4 Å²	18.4	18%	0.182	10%	0.095	C	C	.	.	H	α-helix	trans	-57.9	-40.1	174.5	-69.7	0	0	0	0	111.8	Y299 K344 Q345 Q351 A352	Y299-C348 HydrophobicContact CD2-CB 3.37Å; Y299-C348 HydrophobicContact CE2-CB 3.4Å; Y299-C348 VanDerWaalsContact CE2-CB 3.4Å; Y299-C348 HydrophobicContact CG-CB 4.36Å; K344-C348 PolarHBondContact O-N 3.33Å; K344-C348 PolarHBondContact O-SG 2.72Å; Q345-C348 PolarHBondContact O-N 3.07Å; C348-Q351 PolarHBondContact O-N 3.5Å; C348-A352 WeakPolarHBondContact O-CB 3.29Å; C348-A352 PolarHBondContact O-N 3.12Å
349	A	94.1	Very high	93.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-64.4	-44.1	174.1	0	0	0	0	0	112.6	Y299 I300 Q345 C346 L347 A352 L353 F368 L381	Y299-A349 WeakPolarHBondContact O-CB 3.34Å; I300-A349 HydrophobicContact CD1-CB 4.09Å; Q345-A349 PolarHBondContact O-N 3.27Å; Q345-A349 VanDerWaalsContact O-N 3.13Å; C346-A349 PolarHBondContact O-N 3.44Å; L347-A349 VanDerWaalsContact C-N 3.27Å; L347-A349 PolarHBondContact O-N 3.25Å; A349-A352 PolarHBondContact O-N 3.05Å; A349-L353 PolarHBondContact O-N 3.44Å; A349-F368 HydrophobicContact CB-CE1 4.41Å; A349-L381 HydrophobicContact CB-CB 3.67Å; A349-L381 HydrophobicContact CB-CD2 3.96Å; A349-L381 HydrophobicContact CB-CG 4.49Å
350	V	95.3	Very high	93.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-67.4	-35.2	177.3	171.1	0	0	0	0	111.6	C346 L347 L353 H354 I363 F368 L381 L429	C346-V350 WeakPolarHBondContact O-CG2 3.48Å; C346-V350 PolarHBondContact O-N 3.02Å; C346-V350 VanDerWaalsContact O-N 3.11Å; L347-V350 CarbonylContact O-C 3.35Å; L347-V350 PolarHBondContact O-N 3.02Å; L347-V350 VanDerWaalsContact O-N 3.15Å; V350-L353 PolarHBondContact O-N 2.94Å; V350-H354 WeakPolarHBondContact CG1-ND1 3.49Å; V350-H354 PolarHBondContact O-N 3.47Å; V350-H354 PolarHBondContact O-ND1 2.85Å; V350-I363 HydrophobicContact CG2-CD1 3.59Å; V350-I363 HydrophobicContact CG2-CG1 4.33Å; V350-F368 HydrophobicContact CG2-CZ 3.97Å; V350-L381 HydrophobicContact CG2-CD2 4.21Å; V350-L429 HydrophobicContact CG1-CD2 4.32Å
351	Q	94.2	Very high	93.5	Very high	36 Å²	36	18.5 Å²	18.5	17%	0.168	9%	0.092	C	C	.	.	H	α-helix	trans	-66.8	-44.9	174.1	-178.6	176.4	-5.1	0	0	110.9	L347 C348 L353 H354 Q355 Y493	L347-Q351 VanDerWaalsContact O-CB 3.3Å; L347-Q351 WeakPolarHBondContact O-CB 3.08Å; L347-Q351 PolarHBondContact O-N 3.4Å; C348-Q351 PolarHBondContact O-N 3.5Å; Q351-L353 VanDerWaalsContact C-N 3.33Å; Q351-L353 PolarHBondContact O-N 2.84Å; Q351-H354 CarbonylContact O-C 3.52Å; Q351-H354 PolarHBondContact O-N 2.75Å; Q351-Q355 HydrophobicContact CG-CG 4.42Å; Q351-Q355 WeakPolarHBondContact O-CB 3.47Å; Q351-Q355 VanDerWaalsContact O-CG 3.32Å; Q351-Q355 WeakPolarHBondContact O-CG 3.4Å; Q351-Q355 PolarHBondContact O-N 3.37Å; Q351-Y493 HydrophobicContact CB-CD1 3.72Å; Q351-Y493 HydrophobicContact CB-CE1 4.05Å; Q351-Y493 HydrophobicContact CB-CG 4.1Å; Q351-Y493 HydrophobicContact CG-CD1 3.88Å; Q351-Y493 HydrophobicContact CG-CD2 4.02Å; Q351-Y493 HydrophobicContact CG-CE1 4.34Å; Q351-Y493 HydrophobicContact CG-CE2 4.46Å; Q351-Y493 HydrophobicContact CG-CG 3.73Å
352	A	90.1	Very high	93.6	Very high	10 Å²	10	18.8 Å²	18.8	8%	0.083	9%	0.094	C	C	.	.	H	α-helix	trans	-60.3	-41.6	175	0	0	0	0	0	111.9	F294 C297 C348 A349 H354 Q355 A356	F294-A352 HydrophobicContact CD1-CB 4.15Å; F294-A352 WeakPolarHBondContact CE1-O 3.43Å; C297-A352 HydrophobicContact CB-CB 4.41Å; C348-A352 WeakPolarHBondContact O-CB 3.29Å; C348-A352 PolarHBondContact O-N 3.12Å; A349-A352 PolarHBondContact O-N 3.05Å; A352-H354 VanDerWaalsContact C-N 3.35Å; A352-H354 PolarHBondContact O-N 3.24Å; A352-Q355 PolarHBondContact O-N 2.96Å; A352-A356 WeakPolarHBondContact O-CB 3.32Å; A352-A356 PolarHBondContact O-N 3.34Å
353	L	91.4	Very high	93.7	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.01	9%	0.094	C	C	.	.	H	α-helix	trans	-59.4	-43.8	173.6	-172.9	61.8	0	0	0	112.5	F294 A349 V350 Q351 A356 G357 F358 H360 L381 Y384	F294-L353 HydrophobicContact CE1-CD1 4.23Å; F294-L353 HydrophobicContact CZ-CD1 3.8Å; A349-L353 PolarHBondContact O-N 3.44Å; V350-L353 PolarHBondContact O-N 2.94Å; Q351-L353 VanDerWaalsContact C-N 3.33Å; Q351-L353 PolarHBondContact O-N 2.84Å; L353-A356 PolarHBondContact O-N 3.47Å; L353-G357 PolarHBondContact O-N 2.87Å; L353-F358 CarbonylContact C-O 3.59Å; L353-F358 HydrophobicContact CD1-CB 3.73Å; L353-F358 HydrophobicContact CD1-CG 4.47Å; L353-F358 HydrophobicContact CG-CB 4.07Å; L353-F358 PolarHBondContact O-N 2.96Å; L353-F358 VanDerWaalsContact O-N 3.08Å; L353-H360 HydrophobicContact CD2-CB 3.65Å; L353-L381 HydrophobicContact CD2-CD2 4.19Å; L353-Y384 HydrophobicContact CD1-CD1 4Å; L353-Y384 HydrophobicContact CD1-CE1 4.02Å; L353-Y384 HydrophobicContact CD2-CE1 4.48Å
354	H	92.5	Very high	93.7	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.009	10%	0.101	C	C	.	.	H	α-helix	trans	-69.6	-36.5	176.4	-74.1	115.7	0	0	0	113.4	V350 Q351 A352 A356 G357 F358 Y390 R425 D428 Y493	V350-H354 WeakPolarHBondContact CG1-ND1 3.49Å; V350-H354 PolarHBondContact O-N 3.47Å; V350-H354 PolarHBondContact O-ND1 2.85Å; Q351-H354 CarbonylContact O-C 3.52Å; Q351-H354 PolarHBondContact O-N 2.75Å; A352-H354 VanDerWaalsContact C-N 3.35Å; A352-H354 PolarHBondContact O-N 3.24Å; H354-A356 VanDerWaalsContact C-N 3.33Å; H354-G357 PolarHBondContact O-N 3.45Å; H354-F358 VanDerWaalsContact CA-O 3.32Å; H354-F358 WeakPolarHBondContact CA-O 3.38Å; H354-F358 PolarHBondContact CD2-O 2.97Å; H354-Y390 VanDerWaalsContact O-CE1 3.26Å; H354-Y390 WeakPolarHBondContact O-CE1 3.17Å; H354-Y390 PolarHBondContact O-OH 2.91Å; H354-R425 VanDerWaalsContact CD2-CG 3.49Å; H354-R425 WeakPolarHBondContact CD2-CG 3.45Å; H354-D428 IonicContact CE1-OD2 2.68Å; H354-D428 PolarHBondContact CE1-OD2 2.78Å; H354-D428 IonicContact NE2-OD2 3.17Å; H354-Y493 WeakPolarHBondContact CB-OH 3.21Å; H354-Y493 PolarHBondContact ND1-OH 3.33Å; H354-Y493 VanDerWaalsContact ND1-OH 3.14Å
355	Q	88.4	Confident	93.7	Very high	134 Å²	134	18.3 Å²	18.3	63%	0.626	9%	0.092	S	C	*	.	H	α-helix	trans	-65.6	-36.3	174.1	-74.7	169.1	-27.8	0	0	111.4	Q351 A352 G357	Q351-Q355 HydrophobicContact CG-CG 4.42Å; Q351-Q355 WeakPolarHBondContact O-CB 3.47Å; Q351-Q355 VanDerWaalsContact O-CG 3.32Å; Q351-Q355 WeakPolarHBondContact O-CG 3.4Å; Q351-Q355 PolarHBondContact O-N 3.37Å; A352-Q355 PolarHBondContact O-N 2.96Å; Q355-G357 PolarHBondContact O-N 3.1Å; Q355-G357 VanDerWaalsContact O-N 3.16Å
356	A	85.5	Confident	93.8	Very high	17 Å²	17	19 Å²	19	14%	0.14	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-1.3	170.7	0	0	0	0	0	114.7	P293 F294 A352 L353 H354 F358	P293-A356 HydrophobicContact CB-CB 3.75Å; P293-A356 HydrophobicContact CG-CB 3.88Å; F294-A356 HydrophobicContact CD1-CB 4.24Å; F294-A356 HydrophobicContact CE1-CB 3.38Å; F294-A356 HydrophobicContact CZ-CB 3.9Å; A352-A356 WeakPolarHBondContact O-CB 3.32Å; A352-A356 PolarHBondContact O-N 3.34Å; L353-A356 PolarHBondContact O-N 3.47Å; H354-A356 VanDerWaalsContact C-N 3.33Å; A356-F358 HydrophobicContact CB-CD2 4.16Å; A356-F358 VanDerWaalsContact O-CD2 3.23Å; A356-F358 WeakPolarHBondContact O-CD2 3.19Å; A356-F358 WeakPolarHBondContact O-CE2 3.43Å
357	G	89.7	Confident	93.8	Very high	4 Å²	4	19.4 Å²	19.4	4%	0.041	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.7	15.5	175.7	0	0	0	0	0	115.6	L353 H354 Q355 R389 Y390 R391	L353-G357 PolarHBondContact O-N 2.87Å; H354-G357 PolarHBondContact O-N 3.45Å; Q355-G357 PolarHBondContact O-N 3.1Å; Q355-G357 VanDerWaalsContact O-N 3.16Å; G357-R389 CarbonylContact O-C 3.59Å; G357-R389 WeakPolarHBondContact O-CA 3.39Å; G357-R389 WeakPolarHBondContact O-CG 3.14Å; G357-Y390 WeakPolarHBondContact O-CD1 3.36Å; G357-Y390 PolarHBondContact O-N 2.88Å; G357-R391 PolarHBondContact O-N 3.38Å
358	F	92	Very high	93.8	Very high	61 Å²	61	19.4 Å²	19.4	27%	0.268	10%	0.103	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	152.1	-178.8	-61.8	-97.4	0	0	0	113.1	L353 H354 A356 C387 K388 R389	L353-F358 CarbonylContact C-O 3.59Å; L353-F358 HydrophobicContact CD1-CB 3.73Å; L353-F358 HydrophobicContact CD1-CG 4.47Å; L353-F358 HydrophobicContact CG-CB 4.07Å; L353-F358 PolarHBondContact O-N 2.96Å; L353-F358 VanDerWaalsContact O-N 3.08Å; H354-F358 VanDerWaalsContact CA-O 3.32Å; H354-F358 WeakPolarHBondContact CA-O 3.38Å; H354-F358 PolarHBondContact CD2-O 2.97Å; A356-F358 HydrophobicContact CB-CD2 4.16Å; A356-F358 VanDerWaalsContact O-CD2 3.23Å; A356-F358 WeakPolarHBondContact O-CD2 3.19Å; A356-F358 WeakPolarHBondContact O-CE2 3.43Å; F358-C387 HydrophobicContact CD1-CB 4.5Å; F358-K388 CarbonylContact C-O 3.48Å; F358-K388 VanDerWaalsContact CA-O 3.3Å; F358-K388 WeakPolarHBondContact CA-O 3Å; F358-R389 HydrophobicContact CD1-CB 4.3Å; F358-R389 HydrophobicContact CD1-CG 3.88Å; F358-R389 HydrophobicContact CE1-CB 4.29Å; F358-R389 HydrophobicContact CE1-CG 3.67Å; F358-R389 HydrophobicContact CE2-CG 4.31Å; F358-R389 HydrophobicContact CG-CG 4.3Å; F358-R389 HydrophobicContact CZ-CG 3.91Å
359	V	93.8	Very high	93.8	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	135.6	167.7	-178.8	0	0	0	0	107.1	R361 C387 K388 Y390 R425 D428	V359-R361 HydrophobicContact CB-CG 4.45Å; V359-R361 HydrophobicContact CG1-CG 3.89Å; V359-C387 CarbonylContact O-C 3.57Å; V359-C387 VanDerWaalsContact O-CA 3.25Å; V359-C387 WeakPolarHBondContact O-CA 3.43Å; V359-K388 PolarHBondContact N-O 3.01Å; V359-K388 PolarHBondContact O-N 3.21Å; V359-Y390 HydrophobicContact CG2-CD1 3.73Å; V359-Y390 HydrophobicContact CG2-CG 4.04Å; V359-R425 HydrophobicContact CG2-CG 4.1Å; V359-D428 HydrophobicContact CG1-CB 4.44Å; V359-D428 WeakPolarHBondContact CG1-OD2 3.26Å
360	H	95.1	Very high	93.7	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.096	C	C	.	.			trans	-74.9	-41.1	-175.5	-163.1	-56.1	0	0	0	113.8	L353 D362 I363 I382 D383 M386 D428	L353-H360 HydrophobicContact CD2-CB 3.65Å; H360-D362 PolarHBondContact ND1-N 3.25Å; H360-D362 PolarHBondContact O-N 2.86Å; H360-I363 HydrophobicContact CB-CD1 3.53Å; H360-I363 HydrophobicContact CB-CG1 4.11Å; H360-I382 PolarHBondContact NE2-O 2.77Å; H360-D383 PolarHBondContact CE1-O 3.48Å; H360-D383 PolarHBondContact NE2-O 3.07Å; H360-M386 CarbonylContact O-C 3.56Å; H360-M386 WeakPolarHBondContact O-CB 3.4Å; H360-D428 WeakPolarHBondContact CA-OD2 3.5Å; H360-D428 VanDerWaalsContact CB-OD2 3.22Å; H360-D428 WeakPolarHBondContact CB-OD2 3.27Å; H360-D428 PolarHBondContact N-OD2 3.17Å
361	R	95.6	Very high	93.4	Very high	28 Å²	28	18.2 Å²	18.2	11%	0.106	10%	0.096	C	C	.	.	S	Bend	trans	61.9	13.9	-175.8	-53.7	-174.6	-63.7	169.2	-2.8	115.9	V359 M386 C387 G408 L423 D428	V359-R361 HydrophobicContact CB-CG 4.45Å; V359-R361 HydrophobicContact CG1-CG 3.89Å; R361-M386 PolarHBondContact NE-O 3.1Å; R361-M386 PolarHBondContact NH2-O 3.27Å; R361-C387 PolarHBondContact NH2-O 3.22Å; R361-G408 WeakPolarHBondContact O-CA 3.42Å; R361-G408 PolarHBondContact O-N 2.95Å; R361-L423 HydrophobicContact CB-CD1 4.02Å; R361-L423 HydrophobicContact CG-CB 4.04Å; R361-L423 HydrophobicContact CG-CD1 4.07Å; R361-D428 VanDerWaalsContact CA-OD1 3.27Å; R361-D428 WeakPolarHBondContact CA-OD1 3.38Å; R361-D428 PolarHBondContact N-OD1 2.95Å
362	D	96.8	Very high	92.9	Very high	9 Å²	9	18 Å²	18	5%	0.048	10%	0.096	C	C	.	.			trans	-155.9	44.4	-179.9	-165.9	35.5	0	0	0	113.3	H360 K364 N367 M386 G408 T409	H360-D362 PolarHBondContact ND1-N 3.25Å; H360-D362 PolarHBondContact O-N 2.86Å; D362-K364 PolarHBondContact O-N 3.41Å; D362-K364 IonicContact OD1-NZ 3.16Å; D362-K364 PolarHBondContact OD1-NZ 3.28Å; D362-K364 WeakPolarHBondContact OD2-CE 3.09Å; D362-K364 IonicContact OD2-NZ 3.91Å; D362-K364 PolarHBondContact OD2-NZ 3.02Å; D362-N367 PolarHBondContact O-ND2 2.79Å; D362-N367 PolarHBondContact OD2-ND2 2.88Å; D362-N367 VanDerWaalsContact OD2-ND2 3.12Å; D362-M386 HydrophobicContact CB-CB 4.01Å; D362-M386 HydrophobicContact CB-CG 4.14Å; D362-G408 VanDerWaalsContact OD1-C 3.32Å; D362-G408 WeakPolarHBondContact OD1-CA 3.45Å; D362-T409 WeakPolarHBondContact OD1-CB 3.24Å; D362-T409 PolarHBondContact OD1-N 3.46Å; D362-T409 PolarHBondContact OD1-OG1 3.41Å
363	I	97.5	Very high	92.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.104	C	C	.	.			trans	-69.7	119.2	178	-59.7	-56.4	0	0	0	110.4	V350 H360 F368 L381 D428 F432	V350-I363 HydrophobicContact CG2-CD1 3.59Å; V350-I363 HydrophobicContact CG2-CG1 4.33Å; H360-I363 HydrophobicContact CB-CD1 3.53Å; H360-I363 HydrophobicContact CB-CG1 4.11Å; I363-F368 HydrophobicContact CG2-CE2 3.95Å; I363-F368 HydrophobicContact CG2-CZ 4.3Å; I363-L381 HydrophobicContact CD1-CD1 4.36Å; I363-D428 HydrophobicContact CG1-CB 3.91Å; I363-F432 HydrophobicContact CG2-CB 4.05Å
364	K	96.6	Very high	92	Very high	32 Å²	32	25.9 Å²	25.9	14%	0.139	14%	0.142	C	C	.	.	S	Bend	trans	-161.6	158	-177.4	68.2	-160.6	-172.4	-158.9	0	111.8	D362 A366 N367 F368 T409 Y412	D362-K364 PolarHBondContact O-N 3.41Å; D362-K364 IonicContact OD1-NZ 3.16Å; D362-K364 PolarHBondContact OD1-NZ 3.28Å; D362-K364 WeakPolarHBondContact OD2-CE 3.09Å; D362-K364 IonicContact OD2-NZ 3.91Å; D362-K364 PolarHBondContact OD2-NZ 3.02Å; K364-A366 HydrophobicContact CD-CB 4.47Å; K364-A366 HydrophobicContact CG-CB 4.11Å; K364-A366 PolarHBondContact O-N 3.05Å; K364-N367 WeakPolarHBondContact CE-ND2 3.49Å; K364-N367 WeakPolarHBondContact CE-OD1 3.09Å; K364-N367 HydrophobicContact CG-CB 4.16Å; K364-N367 PolarHBondContact O-N 3.32Å; K364-F368 WeakPolarHBondContact O-CD2 3.33Å; K364-T409 HydrophobicContact CD-CG2 4.22Å; K364-T409 WeakPolarHBondContact CD-OG1 3.48Å; K364-T409 PolarHBondContact NZ-OG1 2.78Å; K364-Y412 HydrophobicContact CB-CD2 3.56Å; K364-Y412 HydrophobicContact CB-CE2 3.71Å; K364-Y412 HydrophobicContact CB-CG 4.04Å
365	P	95.8	Very high	91.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-18.6	177.4	-23.1	28.7	0	0	0	116	L324 S325 Y412 M435	L324-P365 HydrophobicContact CB-CB 4.16Å; L324-P365 WeakPolarHBondContact CB-O 3.06Å; L324-P365 PolarHBondContact N-O 3.42Å; L324-P365 VanDerWaalsContact N-O 3.15Å; S325-P365 PolarHBondContact N-O 2.87Å; P365-Y412 VanDerWaalsContact CD-CZ 3.48Å; P365-Y412 HydrophobicContact CG-CE1 4.14Å; P365-M435 HydrophobicContact CG-CG 3.85Å; P365-M435 HydrophobicContact CG-SD 4.29Å
366	A	96.5	Very high	91.5	Very high	36 Å²	36	23.4 Å²	23.4	30%	0.298	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-23	177.5	0	0	0	0	0	113.3	S323 K364	S323-A366 WeakPolarHBondContact CB-O 3.41Å; K364-A366 HydrophobicContact CD-CB 4.47Å; K364-A366 HydrophobicContact CG-CB 4.11Å; K364-A366 PolarHBondContact O-N 3.05Å
367	N	96.9	Very high	91.6	Very high	9 Å²	9	26.4 Å²	26.4	5%	0.048	14%	0.138	C	C	.	.	S	Bend	trans	-96.3	10.4	-177.5	-70.2	3.8	0	0	0	112.8	D362 K364 L381 I382	D362-N367 PolarHBondContact O-ND2 2.79Å; D362-N367 PolarHBondContact OD2-ND2 2.88Å; D362-N367 VanDerWaalsContact OD2-ND2 3.12Å; K364-N367 WeakPolarHBondContact CE-ND2 3.49Å; K364-N367 WeakPolarHBondContact CE-OD1 3.09Å; K364-N367 HydrophobicContact CG-CB 4.16Å; K364-N367 PolarHBondContact O-N 3.32Å; N367-L381 WeakPolarHBondContact O-CD1 3.41Å; N367-I382 WeakPolarHBondContact CB-O 3.38Å; N367-I382 VanDerWaalsContact O-CG1 3.28Å; N367-I382 WeakPolarHBondContact O-CG1 3.45Å; N367-I382 PolarHBondContact O-N 3.36Å
368	F	97.2	Very high	91.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	121.5	169.2	-68.9	-81.3	0	0	0	109.2	S323 L324 C346 A349 V350 I363 K364 I379 H380 L381 M435	S323-F368 CarbonylContact C-O 3.18Å; S323-F368 WeakPolarHBondContact CA-O 3.39Å; S323-F368 VanDerWaalsContact CB-O 3.22Å; S323-F368 WeakPolarHBondContact CB-O 3.36Å; L324-F368 HydrophobicContact CD1-CB 3.76Å; L324-F368 HydrophobicContact CD1-CG 4.44Å; L324-F368 HydrophobicContact CG-CB 4.07Å; L324-F368 PolarHBondContact N-O 3.2Å; C346-F368 HydrophobicContact CB-CD1 3.95Å; C346-F368 HydrophobicContact CB-CE1 3.52Å; C346-F368 HydrophobicContact CB-CE2 4.26Å; C346-F368 HydrophobicContact CB-CG 4.47Å; C346-F368 HydrophobicContact CB-CZ 3.7Å; C346-F368 VanDerWaalsContact SG-CD1 3.57Å; A349-F368 HydrophobicContact CB-CE1 4.41Å; V350-F368 HydrophobicContact CG2-CZ 3.97Å; I363-F368 HydrophobicContact CG2-CE2 3.95Å; I363-F368 HydrophobicContact CG2-CZ 4.3Å; K364-F368 WeakPolarHBondContact O-CD2 3.33Å; F368-I379 HydrophobicContact CB-CG2 3.78Å; F368-I379 HydrophobicContact CD1-CG2 4.17Å; F368-I379 HydrophobicContact CG-CG2 4.37Å; F368-H380 CarbonylContact C-O 3.46Å; F368-H380 WeakPolarHBondContact CA-O 3.45Å; F368-L381 HydrophobicContact CD1-CB 4.25Å; F368-L381 HydrophobicContact CD1-CD1 4.1Å; F368-L381 HydrophobicContact CE1-CB 4.06Å; F368-L381 HydrophobicContact CE1-CD1 3.66Å; F368-L381 HydrophobicContact CE1-CG 4.33Å; F368-L381 HydrophobicContact CE2-CD1 4.38Å; F368-L381 HydrophobicContact CZ-CD1 3.81Å; F368-M435 HydrophobicContact CD2-CE 3.97Å; F368-M435 HydrophobicContact CD2-SD 3.67Å; F368-M435 HydrophobicContact CE2-CE 3.55Å; F368-M435 HydrophobicContact CE2-SD 3.61Å; F368-M435 HydrophobicContact CZ-CE 4.2Å
369	A	94.7	Very high	91.8	Very high	3 Å²	3	24.6 Å²	24.6	3%	0.025	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	135.3	-177.9	0	0	0	0	0	111.7	L320 H380 I382	L320-A369 HydrophobicContact CB-CB 4.1Å; L320-A369 HydrophobicContact CD1-CB 4.19Å; A369-H380 PolarHBondContact N-O 3.43Å; A369-H380 PolarHBondContact O-N 2.97Å; A369-I382 HydrophobicContact CB-CD1 3.9Å; A369-I382 HydrophobicContact CB-CG1 4.4Å; A369-I382 HydrophobicContact CB-CG2 4.4Å
370	V	92.4	Very high	91.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	151.7	177.6	-57.4	0	0	0	0	110.7	G321 P322 I327 T378 I379 W517 L521	G321-V370 WeakPolarHBondContact CA-O 3.39Å; G321-V370 PolarHBondContact N-O 3.21Å; P322-V370 HydrophobicContact CG-CG2 4.41Å; P322-V370 PolarHBondContact O-N 3.42Å; I327-V370 HydrophobicContact CD1-CG1 3.63Å; I327-V370 HydrophobicContact CD1-CG2 4.3Å; V370-T378 CarbonylContact C-O 3.45Å; V370-T378 WeakPolarHBondContact CA-O 3.49Å; V370-I379 HydrophobicContact CG1-CG1 4.33Å; V370-W517 HydrophobicContact CG1-CZ2 3.77Å; V370-L521 HydrophobicContact CG2-CD1 3.48Å; V370-L521 VanDerWaalsContact CG2-CD1 3.48Å
371	G	88.5	Confident	91.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.131	C	C	.	.			trans	-67.4	178.9	172.9	0	0	0	0	0	113.4	K375 T378	G371-K375 WeakPolarHBondContact CA-O 3.28Å; G371-K375 PolarHBondContact N-O 2.99Å; G371-T378 PolarHBondContact N-O 2.86Å
372	L	85	Confident	91.6	Very high	32 Å²	32	25 Å²	25	17%	0.168	14%	0.135	C	C	.	.			trans	-120.1	162.1	171.6	-63.4	178.1	0	0	0	109.3	L319 D374 K375	L319-L372 HydrophobicContact CG-CD1 4.16Å; L319-L372 WeakPolarHBondContact O-CD1 3.38Å; L372-D374 PolarHBondContact O-N 3Å; L372-K375 PolarHBondContact O-N 3.01Å; L372-K375 VanDerWaalsContact O-N 3.15Å
373	G	81.1	Confident	91.3	Very high	25 Å²	25	28.5 Å²	28.5	26%	0.258	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	64.6	-126.1	176.8	0	0	0	0	0	112.3	K375 I376	G373-K375 VanDerWaalsContact C-N 3.33Å; G373-I376 WeakPolarHBondContact O-CB 3.32Å; G373-I376 PolarHBondContact O-N 2.71Å
374	D	80.4	Confident	90.9	Very high	151 Å²	151	31.5 Å²	31.5	81%	0.807	17%	0.165	S	C	*	.	G	3₁₀ helix	trans	-63.9	-34.4	174.6	58.4	-21.5	0	0	0	112.8	L372 I376	L372-D374 PolarHBondContact O-N 3Å; D374-I376 PolarHBondContact O-N 2.66Å
375	K	82.9	Confident	90.4	Very high	55 Å²	55	33.1 Å²	33.1	24%	0.239	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-78.8	12.7	178.3	-63.8	-171.1	179.3	-177.8	0	115.2	E318 G371 L372 G373 R377 T378	E318-K375 WeakPolarHBondContact OE1-CD 3.49Å; E318-K375 VanDerWaalsContact OE1-CE 3.31Å; E318-K375 WeakPolarHBondContact OE1-CE 3.42Å; E318-K375 IonicContact OE1-NZ 3.73Å; E318-K375 PolarHBondContact OE1-NZ 2.67Å; E318-K375 IonicContact OE2-NZ 3.67Å; E318-K375 PolarHBondContact OE2-NZ 3.12Å; G371-K375 WeakPolarHBondContact CA-O 3.28Å; G371-K375 PolarHBondContact N-O 2.99Å; L372-K375 PolarHBondContact O-N 3.01Å; L372-K375 VanDerWaalsContact O-N 3.15Å; G373-K375 VanDerWaalsContact C-N 3.33Å; K375-R377 PolarHBondContact O-N 3.28Å; K375-T378 WeakPolarHBondContact O-CB 3.5Å; K375-T378 PolarHBondContact O-N 3.45Å
376	I	87.2	Confident	90.1	Very high	29 Å²	29	36.5 Å²	36.5	15%	0.149	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-56.8	-25.4	-176	-167.7	169.2	0	0	0	114.3	G373 D374 E518 L521	G373-I376 WeakPolarHBondContact O-CB 3.32Å; G373-I376 PolarHBondContact O-N 2.71Å; D374-I376 PolarHBondContact O-N 2.66Å; I376-E518 HydrophobicContact CD1-CB 4.31Å; I376-E518 HydrophobicContact CD1-CG 4.16Å; I376-E518 HydrophobicContact CG1-CG 4.24Å; I376-E518 HydrophobicContact CG2-CG 4.34Å; I376-L521 HydrophobicContact CD1-CB 4.1Å; I376-L521 HydrophobicContact CD1-CD1 4.44Å; I376-L521 HydrophobicContact CG1-CD1 4.26Å
377	R	88.4	Confident	89.9	Confident	81 Å²	81	36.2 Å²	36.2	31%	0.306	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-88.4	-3.3	175.9	-62.3	-169.3	175.1	178.7	-1.6	114.7	Q345 K375 D512 F515 E518	Q345-R377 PolarHBondContact NE2-O 2.84Å; Q345-R377 PolarHBondContact OE1-O 3.36Å; K375-R377 PolarHBondContact O-N 3.28Å; R377-D512 PolarHBondContact NH1-O 2.98Å; R377-F515 HydrophobicContact CB-CD2 4.25Å; R377-F515 HydrophobicContact CB-CE2 4.13Å; R377-F515 HydrophobicContact CG-CD2 4.24Å; R377-F515 WeakPolarHBondContact O-CE2 3.36Å; R377-E518 WeakPolarHBondContact CG-OE1 3.44Å; R377-E518 IonicContact CZ-OE1 2.66Å; R377-E518 IonicContact CZ-OE2 3.12Å; R377-E518 VanDerWaalsContact NE-CD 3.28Å; R377-E518 IonicContact NE-OE1 2.67Å; R377-E518 PolarHBondContact NE-OE1 2.84Å; R377-E518 IonicContact NE-OE2 3.99Å; R377-E518 PolarHBondContact NE-OE2 2.75Å; R377-E518 VanDerWaalsContact NE-OE2 3.11Å; R377-E518 IonicContact NH2-OE1 2.7Å; R377-E518 IonicContact NH2-OE2 3.91Å; R377-E518 PolarHBondContact NH2-OE2 2.9Å
378	T	90.8	Very high	89.7	Confident	27 Å²	27	36.8 Å²	36.8	17%	0.166	21%	0.206	C	C	.	.			trans	-100.4	118.7	-175.6	-48.4	0	0	0	0	109.9	P298 Y299 V370 G371 K375 H380	P298-T378 HydrophobicContact CB-CG2 4.03Å; P298-T378 WeakPolarHBondContact O-CG2 3.38Å; Y299-T378 HydrophobicContact CD1-CG2 4Å; Y299-T378 HydrophobicContact CE1-CG2 4.39Å; V370-T378 CarbonylContact C-O 3.45Å; V370-T378 WeakPolarHBondContact CA-O 3.49Å; G371-T378 PolarHBondContact N-O 2.86Å; K375-T378 WeakPolarHBondContact O-CB 3.5Å; K375-T378 PolarHBondContact O-N 3.45Å; T378-H380 PolarHBondContact O-CE1 3.39Å; T378-H380 PolarHBondContact O-ND1 3.48Å
379	I	94.3	Very high	89.4	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	118	178.6	-59	166	0	0	0	108	Y299 L324 I342 Q345 F368 V370 F515 W517	Y299-I379 WeakPolarHBondContact CB-O 3.47Å; L324-I379 HydrophobicContact CD1-CG2 4.3Å; L324-I379 HydrophobicContact CD2-CD1 4.26Å; I342-I379 HydrophobicContact CB-CD1 4.19Å; I342-I379 HydrophobicContact CG1-CD1 3.93Å; I342-I379 HydrophobicContact CG2-CD1 4.15Å; Q345-I379 HydrophobicContact CB-CB 4.24Å; Q345-I379 HydrophobicContact CB-CD1 4.46Å; F368-I379 HydrophobicContact CB-CG2 3.78Å; F368-I379 HydrophobicContact CD1-CG2 4.17Å; F368-I379 HydrophobicContact CG-CG2 4.37Å; V370-I379 HydrophobicContact CG1-CG1 4.33Å; I379-F515 HydrophobicContact CD1-CZ 4.21Å; I379-W517 HydrophobicContact CD1-CH2 4.33Å; I379-W517 HydrophobicContact CD1-CZ2 4.37Å
380	H	93.9	Very high	89.2	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	139.4	-176	-53.1	68.6	0	0	0	110.9	P298 Y299 P301 L320 F368 A369 T378	P298-H380 PolarHBondContact O-CD2 3.17Å; P298-H380 VanDerWaalsContact O-CD2 3.26Å; P298-H380 PolarHBondContact O-NE2 3.2Å; Y299-H380 CarbonylContact O-C 3.58Å; Y299-H380 VanDerWaalsContact O-CA 3.27Å; Y299-H380 WeakPolarHBondContact O-CA 3.45Å; P301-H380 HydrophobicContact CG-CB 4.16Å; L320-H380 HydrophobicContact CD1-CB 3.71Å; L320-H380 HydrophobicContact CD2-CB 4.44Å; F368-H380 CarbonylContact C-O 3.46Å; F368-H380 WeakPolarHBondContact CA-O 3.45Å; A369-H380 PolarHBondContact N-O 3.43Å; A369-H380 PolarHBondContact O-N 2.97Å; T378-H380 PolarHBondContact O-CE1 3.39Å; T378-H380 PolarHBondContact O-ND1 3.48Å
381	L	95.2	Very high	89	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	133.1	173.5	179.9	57.4	0	0	0	110.8	Y299 I300 P301 A349 V350 L353 I363 N367 F368 Y384	Y299-L381 PolarHBondContact O-N 3.22Å; I300-L381 HydrophobicContact CD1-CB 4.08Å; I300-L381 HydrophobicContact CD1-CD2 4.38Å; P301-L381 WeakPolarHBondContact CD-O 3.34Å; P301-L381 WeakPolarHBondContact CG-O 3.33Å; A349-L381 HydrophobicContact CB-CB 3.67Å; A349-L381 HydrophobicContact CB-CD2 3.96Å; A349-L381 HydrophobicContact CB-CG 4.49Å; V350-L381 HydrophobicContact CG2-CD2 4.21Å; L353-L381 HydrophobicContact CD2-CD2 4.19Å; I363-L381 HydrophobicContact CD1-CD1 4.36Å; N367-L381 WeakPolarHBondContact O-CD1 3.41Å; F368-L381 HydrophobicContact CD1-CB 4.25Å; F368-L381 HydrophobicContact CD1-CD1 4.1Å; F368-L381 HydrophobicContact CE1-CB 4.06Å; F368-L381 HydrophobicContact CE1-CD1 3.66Å; F368-L381 HydrophobicContact CE1-CG 4.33Å; F368-L381 HydrophobicContact CE2-CD1 4.38Å; F368-L381 HydrophobicContact CZ-CD1 3.81Å; L381-Y384 HydrophobicContact CD2-CE1 4.41Å; L381-Y384 HydrophobicContact CG-CE1 4.29Å; L381-Y384 PolarHBondContact O-OH 2.76Å
382	I	92	Very high	88.7	Confident	37 Å²	37	46.7 Å²	46.7	19%	0.19	25%	0.246	C	C	.	.			trans	-133.8	167.7	-177.4	61.2	163.7	0	0	0	111.4	P301 L320 H360 N367 A369	P301-I382 HydrophobicContact CG-CG2 3.84Å; L320-I382 HydrophobicContact CD1-CG2 3.72Å; H360-I382 PolarHBondContact NE2-O 2.77Å; N367-I382 WeakPolarHBondContact CB-O 3.38Å; N367-I382 VanDerWaalsContact O-CG1 3.28Å; N367-I382 WeakPolarHBondContact O-CG1 3.45Å; N367-I382 PolarHBondContact O-N 3.36Å; A369-I382 HydrophobicContact CB-CD1 3.9Å; A369-I382 HydrophobicContact CB-CG1 4.4Å; A369-I382 HydrophobicContact CB-CG2 4.4Å
383	D	90.8	Very high	88.3	Confident	81 Å²	81	54.3 Å²	54.3	43%	0.433	28%	0.278	S	S	.	.			trans	60.6	68.4	-176.6	-167.3	9.2	0	0	0	115.3	H360 G385	H360-D383 PolarHBondContact CE1-O 3.48Å; H360-D383 PolarHBondContact NE2-O 3.07Å; D383-G385 PolarHBondContact O-N 3.47Å; D383-G385 VanDerWaalsContact O-N 3.08Å; D383-G385 PolarHBondContact OD1-N 3.45Å
384	Y	89.2	Confident	88.2	Confident	63 Å²	63	59.7 Å²	59.7	25%	0.247	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-70.1	6.3	171	-56.1	-87.1	0	0	0	113.6	I300 L353 L381 M386 C387	I300-Y384 VanDerWaalsContact CD1-OH 3.24Å; I300-Y384 WeakPolarHBondContact CD1-OH 3.46Å; L353-Y384 HydrophobicContact CD1-CD1 4Å; L353-Y384 HydrophobicContact CD1-CE1 4.02Å; L353-Y384 HydrophobicContact CD2-CE1 4.48Å; L381-Y384 HydrophobicContact CD2-CE1 4.41Å; L381-Y384 HydrophobicContact CG-CE1 4.29Å; L381-Y384 PolarHBondContact O-OH 2.76Å; Y384-M386 PolarHBondContact O-N 3.06Å; Y384-C387 VanDerWaalsContact O-CB 3.23Å; Y384-C387 WeakPolarHBondContact O-CB 3.13Å; Y384-C387 PolarHBondContact O-N 3.49Å; Y384-C387 PolarHBondContact O-SG 2.86Å; Y384-C387 VanDerWaalsContact O-SG 3.39Å
385	G	85.8	Confident	88.1	Confident	67 Å²	67	54.3 Å²	54.3	69%	0.691	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-61.8	-25.9	-173.2	0	0	0	0	0	114.7	D383	D383-G385 PolarHBondContact O-N 3.47Å; D383-G385 VanDerWaalsContact O-N 3.08Å; D383-G385 PolarHBondContact OD1-N 3.45Å
386	M	89.8	Confident	88.2	Confident	71 Å²	71	56.3 Å²	56.3	35%	0.35	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-92.6	0.6	175	-71.4	-67.5	171.6	0	0	114.1	H360 R361 D362 Y384	H360-M386 CarbonylContact O-C 3.56Å; H360-M386 WeakPolarHBondContact O-CB 3.4Å; R361-M386 PolarHBondContact NE-O 3.1Å; R361-M386 PolarHBondContact NH2-O 3.27Å; D362-M386 HydrophobicContact CB-CB 4.01Å; D362-M386 HydrophobicContact CB-CG 4.14Å; Y384-M386 PolarHBondContact O-N 3.06Å
387	C	92.4	Very high	88.1	Confident	30 Å²	30	58.8 Å²	58.8	20%	0.203	31%	0.306	C	S	.	.			trans	-59.8	150.6	-175.4	-75	0	0	0	0	113.6	F358 V359 R361 Y384	F358-C387 HydrophobicContact CD1-CB 4.5Å; V359-C387 CarbonylContact O-C 3.57Å; V359-C387 VanDerWaalsContact O-CA 3.25Å; V359-C387 WeakPolarHBondContact O-CA 3.43Å; R361-C387 PolarHBondContact NH2-O 3.22Å; Y384-C387 VanDerWaalsContact O-CB 3.23Å; Y384-C387 WeakPolarHBondContact O-CB 3.13Å; Y384-C387 PolarHBondContact O-N 3.49Å; Y384-C387 PolarHBondContact O-SG 2.86Å; Y384-C387 VanDerWaalsContact O-SG 3.39Å
388	K	91	Very high	88.1	Confident	21 Å²	21	58.5 Å²	58.5	9%	0.091	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	135	173	-168.5	-162.2	71.6	-179	0	109	F358 V359 R401 D422 L423	F358-K388 CarbonylContact C-O 3.48Å; F358-K388 VanDerWaalsContact CA-O 3.3Å; F358-K388 WeakPolarHBondContact CA-O 3Å; V359-K388 PolarHBondContact N-O 3.01Å; V359-K388 PolarHBondContact O-N 3.21Å; K388-R401 VanDerWaalsContact CD-NH2 3.35Å; K388-D422 WeakPolarHBondContact CD-OD1 3.46Å; K388-D422 IonicContact NZ-OD1 3.79Å; K388-D422 PolarHBondContact NZ-OD1 2.96Å; K388-D422 IonicContact NZ-OD2 2.72Å; K388-D422 PolarHBondContact NZ-OD2 2.79Å; K388-L423 PolarHBondContact NZ-O 3.36Å
389	R	91.1	Very high	87.8	Confident	95 Å²	95	62 Å²	62	36%	0.358	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	136.5	166	-120.1	167.5	-178.1	-92	1.6	109.7	G357 F358 R391 D392 L398	G357-R389 CarbonylContact O-C 3.59Å; G357-R389 WeakPolarHBondContact O-CA 3.39Å; G357-R389 WeakPolarHBondContact O-CG 3.14Å; F358-R389 HydrophobicContact CD1-CB 4.3Å; F358-R389 HydrophobicContact CD1-CG 3.88Å; F358-R389 HydrophobicContact CE1-CB 4.29Å; F358-R389 HydrophobicContact CE1-CG 3.67Å; F358-R389 HydrophobicContact CE2-CG 4.31Å; F358-R389 HydrophobicContact CG-CG 4.3Å; F358-R389 HydrophobicContact CZ-CG 3.91Å; R389-R391 WeakPolarHBondContact CG-O 3.34Å; R389-R391 PolarHBondContact NH1-O 2.98Å; R389-D392 PolarHBondContact NH1-O 3.13Å; R389-L398 HydrophobicContact CB-CD1 4.14Å
390	Y	91.1	Very high	87.4	Confident	7 Å²	7	65.4 Å²	65.4	3%	0.027	35%	0.354	C	S	.	.			trans	-114.4	-10.4	169.9	79.4	-82.6	0	0	0	112.3	H354 G357 V359 M397 L398 R425	H354-Y390 VanDerWaalsContact O-CE1 3.26Å; H354-Y390 WeakPolarHBondContact O-CE1 3.17Å; H354-Y390 PolarHBondContact O-OH 2.91Å; G357-Y390 WeakPolarHBondContact O-CD1 3.36Å; G357-Y390 PolarHBondContact O-N 2.88Å; V359-Y390 HydrophobicContact CG2-CD1 3.73Å; V359-Y390 HydrophobicContact CG2-CG 4.04Å; Y390-M397 WeakPolarHBondContact O-CA 3.21Å; Y390-L398 PolarHBondContact O-N 3.04Å; Y390-R425 HydrophobicContact CD1-CG 4.43Å; Y390-R425 HydrophobicContact CD2-CG 4.28Å; Y390-R425 HydrophobicContact CE1-CG 4.32Å; Y390-R425 HydrophobicContact CE2-CG 4.18Å; Y390-R425 HydrophobicContact CG-CG 4.43Å; Y390-R425 PolarHBondContact OH-NH1 2.86Å; Y390-R425 VanDerWaalsContact OH-NH1 3.08Å
391	R	87.5	Confident	87.1	Confident	61 Å²	61	71.9 Å²	71.9	23%	0.23	38%	0.378	C	S	.	.	B	Isolated β-bridge	trans	-116.5	150.4	167.3	-74.8	175.4	167.7	150.5	4.6	111.3	G357 R389 G395 N396 E490	G357-R391 PolarHBondContact O-N 3.38Å; R389-R391 WeakPolarHBondContact CG-O 3.34Å; R389-R391 PolarHBondContact NH1-O 2.98Å; R391-G395 VanDerWaalsContact CD-O 3.27Å; R391-G395 WeakPolarHBondContact CD-O 3.34Å; R391-G395 WeakPolarHBondContact CG-O 3.36Å; R391-G395 PolarHBondContact NE-O 2.77Å; R391-N396 CarbonylContact C-O 3.37Å; R391-N396 WeakPolarHBondContact CA-O 3.37Å; R391-E490 IonicContact CZ-OE2 3.39Å; R391-E490 IonicContact NH1-OE1 3.55Å; R391-E490 IonicContact NH1-OE2 2.7Å; R391-E490 IonicContact NH2-OE1 3.03Å; R391-E490 IonicContact NH2-OE2 3.73Å; R391-E490 PolarHBondContact NH2-OE2 2.94Å
392	D	82.9	Confident	86.6	Confident	47 Å²	47	73.6 Å²	73.6	25%	0.251	40%	0.396	S	S	.	.			trans	-77.4	-171.4	168.9	68.8	14.3	0	0	0	111.5	R389 D394 G395 N396 L398	R389-D392 PolarHBondContact NH1-O 3.13Å; D392-D394 PolarHBondContact O-N 2.62Å; D392-D394 WeakPolarHBondContact OD1-CA 3.2Å; D392-D394 PolarHBondContact OD1-N 2.79Å; D392-G395 PolarHBondContact OD1-N 3.42Å; D392-N396 PolarHBondContact N-O 2.85Å; D392-N396 PolarHBondContact OD1-N 3.39Å; D392-N396 PolarHBondContact OD1-ND2 2.83Å; D392-N396 VanDerWaalsContact OD2-CB 3.31Å; D392-N396 WeakPolarHBondContact OD2-CB 3.29Å; D392-N396 PolarHBondContact OD2-ND2 2.99Å; D392-L398 HydrophobicContact CB-CD2 4.08Å
393	K	75.8	Confident	86.4	Confident	192 Å²	192	79.2 Å²	79.2	84%	0.835	42%	0.421	S	S	*	.	S	Bend	trans	-69.7	-24.8	-178.2	-71.8	-175	179.8	178.4	0	112.9
394	D	80.1	Confident	86.2	Confident	139 Å²	139	76.9 Å²	76.9	74%	0.743	41%	0.41	S	S	*	.	S	Bend	trans	-96.3	-9.8	-171.9	-47.5	-78.1	0	0	0	111.4	D392	D392-D394 PolarHBondContact O-N 2.62Å; D392-D394 WeakPolarHBondContact OD1-CA 3.2Å; D392-D394 PolarHBondContact OD1-N 2.79Å
395	G	77.6	Confident	86.2	Confident	37 Å²	37	75 Å²	75	38%	0.381	41%	0.41	S	S	.	.	S	Bend	trans	105.9	-5.3	173.7	0	0	0	0	0	114.2	R391 D392	R391-G395 VanDerWaalsContact CD-O 3.27Å; R391-G395 WeakPolarHBondContact CD-O 3.34Å; R391-G395 WeakPolarHBondContact CG-O 3.36Å; R391-G395 PolarHBondContact NE-O 2.77Å; D392-G395 PolarHBondContact OD1-N 3.42Å
396	N	85	Confident	86.4	Confident	98 Å²	98	75 Å²	75	52%	0.524	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-70.4	151	-179.5	-42.7	-72.1	0	0	0	110.5	R391 D392	R391-N396 CarbonylContact C-O 3.37Å; R391-N396 WeakPolarHBondContact CA-O 3.37Å; D392-N396 PolarHBondContact N-O 2.85Å; D392-N396 PolarHBondContact OD1-N 3.39Å; D392-N396 PolarHBondContact OD1-ND2 2.83Å; D392-N396 VanDerWaalsContact OD2-CB 3.31Å; D392-N396 WeakPolarHBondContact OD2-CB 3.29Å; D392-N396 PolarHBondContact OD2-ND2 2.99Å
397	M	85.1	Confident	86.4	Confident	81 Å²	81	75.9 Å²	75.9	40%	0.399	39%	0.39	S	S	.	.	B	Isolated β-bridge	trans	-79.1	130.4	-177.7	-163.7	178.4	-66.3	0	0	111.5	Y390 S488	Y390-M397 WeakPolarHBondContact O-CA 3.21Å; M397-S488 WeakPolarHBondContact CE-O 3.48Å; M397-S488 WeakPolarHBondContact SD-CA 3.35Å; M397-S488 VanDerWaalsContact SD-CB 3.51Å
398	L	88	Confident	86.3	Confident	75 Å²	75	75.2 Å²	75.2	39%	0.393	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-73.6	136.9	173.4	-63.5	175.1	0	0	0	109.8	R389 Y390 D392	R389-L398 HydrophobicContact CB-CD1 4.14Å; Y390-L398 PolarHBondContact O-N 3.04Å; D392-L398 HydrophobicContact CB-CD2 4.08Å
399	S	85.6	Confident	86.4	Confident	99 Å²	99	76.3 Å²	76.3	69%	0.692	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-62.1	150.7	-178.6	51.7	0	0	0	0	112.8	R401	S399-R401 PolarHBondContact O-N 3.34Å
400	N	85.8	Confident	86.5	Confident	73 Å²	73	73.8 Å²	73.8	39%	0.39	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-62.3	129	170.6	-174.6	-20.8	0	0	0	109.4	G402 F487	N400-G402 PolarHBondContact OD1-N 3.43Å; N400-F487 HydrophobicContact CB-CD1 4Å; N400-F487 HydrophobicContact CB-CD2 4.16Å; N400-F487 HydrophobicContact CB-CE1 3.87Å; N400-F487 HydrophobicContact CB-CE2 4.03Å; N400-F487 HydrophobicContact CB-CG 4.14Å; N400-F487 HydrophobicContact CB-CZ 3.88Å
401	R	86.5	Confident	86.7	Confident	136 Å²	136	77.1 Å²	77.1	51%	0.513	41%	0.405	S	S	.	.			trans	-90.3	4.9	-174.4	-59.6	177.7	-62.7	143.4	11.1	113.9	K388 S399 V404 D422	K388-R401 VanDerWaalsContact CD-NH2 3.35Å; S399-R401 PolarHBondContact O-N 3.34Å; R401-V404 HydrophobicContact CB-CG1 3.98Å; R401-D422 HydrophobicContact CB-CB 4.23Å; R401-D422 IonicContact CZ-OD1 3.64Å; R401-D422 IonicContact CZ-OD2 3.55Å; R401-D422 IonicContact NE-OD1 3.68Å; R401-D422 IonicContact NE-OD2 2.82Å; R401-D422 PolarHBondContact NE-OD2 3.11Å; R401-D422 VanDerWaalsContact NH2-CG 3.3Å; R401-D422 IonicContact NH2-OD1 2.76Å; R401-D422 PolarHBondContact NH2-OD1 3.01Å; R401-D422 IonicContact NH2-OD2 3.43Å; R401-D422 PolarHBondContact NH2-OD2 2.97Å
402	G	86.6	Confident	87.1	Confident	36 Å²	36	75 Å²	75	37%	0.371	40%	0.397	S	S	.	.	S	Bend	trans	75.5	-130.9	-178.1	0	0	0	0	0	111.6	N400 M421 D422	N400-G402 PolarHBondContact OD1-N 3.43Å; G402-M421 CarbonylContact O-C 3.58Å; G402-D422 PolarHBondContact O-N 3.13Å
403	E	87.6	Confident	87.6	Confident	154 Å²	154	73 Å²	73	72%	0.72	39%	0.387	S	S	*	.	B	Isolated β-bridge	trans	-82	127.8	177.5	-161.7	-178.9	167.7	0	0	111.2	S420	E403-S420 WeakPolarHBondContact CA-O 3.49Å; E403-S420 VanDerWaalsContact CG-CB 3.48Å; E403-S420 WeakPolarHBondContact OE1-CB 3.24Å
404	V	86.8	Confident	88.6	Confident	32 Å²	32	63.9 Å²	63.9	19%	0.194	35%	0.348	C	S	.	.			trans	-128.1	6	-178.4	-59	0	0	0	0	112.8	R401 R407 S420 D422	R401-V404 HydrophobicContact CB-CG1 3.98Å; V404-R407 PolarHBondContact O-NH1 2.42Å; V404-R407 PolarHBondContact O-NH2 3.01Å; V404-S420 PolarHBondContact N-O 3.49Å; V404-D422 HydrophobicContact CG1-CB 3.89Å; V404-D422 HydrophobicContact CG2-CB 4.12Å
405	G	87.4	Confident	89.2	Confident	24 Å²	24	58.8 Å²	58.8	25%	0.247	32%	0.322	C	S	.	.			trans	74.4	156	-170.6	0	0	0	0	0	112.9	R407 S420	G405-R407 VanDerWaalsContact C-NH1 3.28Å; G405-R407 PolarHBondContact O-NH1 3.26Å; G405-S420 WeakPolarHBondContact CA-OG 3Å; G405-S420 PolarHBondContact N-O 3.48Å
406	F	91.6	Very high	90	Very high	66 Å²	66	59.5 Å²	59.5	29%	0.289	32%	0.315	S	S	.	.			trans	-45.9	138.3	175.7	-179.2	-93.8	0	0	0	113.5	G408 V410 A413 A417 S420	F406-G408 WeakPolarHBondContact CE1-O 3.38Å; F406-V410 HydrophobicContact CE1-CG2 4.02Å; F406-V410 HydrophobicContact CZ-CB 4.31Å; F406-V410 HydrophobicContact CZ-CG2 3.76Å; F406-A413 HydrophobicContact CE2-CB 3.98Å; F406-A413 HydrophobicContact CZ-CB 3.94Å; F406-A417 WeakPolarHBondContact CD2-O 3.48Å; F406-S420 PolarHBondContact N-OG 2.8Å
407	R	88.7	Confident	90.4	Very high	90 Å²	90	54.9 Å²	54.9	34%	0.34	29%	0.29	S	S	.	.			trans	-143.4	153.7	173.6	-67.6	-59.5	-179	-60.6	-6.5	111.3	V404 G405	V404-R407 PolarHBondContact O-NH1 2.42Å; V404-R407 PolarHBondContact O-NH2 3.01Å; G405-R407 VanDerWaalsContact C-NH1 3.28Å; G405-R407 PolarHBondContact O-NH1 3.26Å
408	G	89.5	Confident	90.8	Very high	17 Å²	17	52.2 Å²	52.2	18%	0.175	28%	0.277	C	S	.	.	S	Bend	trans	86.8	-170.4	-175.8	0	0	0	0	0	113.3	R361 D362 F406	R361-G408 WeakPolarHBondContact O-CA 3.42Å; R361-G408 PolarHBondContact O-N 2.95Å; D362-G408 VanDerWaalsContact OD1-C 3.32Å; D362-G408 WeakPolarHBondContact OD1-CA 3.45Å; F406-G408 WeakPolarHBondContact CE1-O 3.38Å
409	T	93.6	Very high	91	Very high	44 Å²	44	53.3 Å²	53.3	27%	0.27	28%	0.283	S	S	.	.			trans	-100.3	117.7	-176.8	-61.3	0	0	0	0	110.8	D362 K364 R411 Y412 A413	D362-T409 WeakPolarHBondContact OD1-CB 3.24Å; D362-T409 PolarHBondContact OD1-N 3.46Å; D362-T409 PolarHBondContact OD1-OG1 3.41Å; K364-T409 HydrophobicContact CD-CG2 4.22Å; K364-T409 WeakPolarHBondContact CD-OG1 3.48Å; K364-T409 PolarHBondContact NZ-OG1 2.78Å; T409-R411 VanDerWaalsContact C-N 3.25Å; T409-R411 PolarHBondContact O-N 2.76Å; T409-Y412 HydrophobicContact CG2-CD2 3.93Å; T409-Y412 HydrophobicContact CG2-CE2 4.16Å; T409-Y412 PolarHBondContact O-N 3.29Å; T409-A413 PolarHBondContact O-N 3.49Å
410	V	94.1	Very high	91.4	Very high	42 Å²	42	49.8 Å²	49.8	26%	0.255	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-36.4	-47.4	-171.7	-174	0	0	0	0	114.9	F406 Y412 H418 V452 I455 K459	F406-V410 HydrophobicContact CE1-CG2 4.02Å; F406-V410 HydrophobicContact CZ-CB 4.31Å; F406-V410 HydrophobicContact CZ-CG2 3.76Å; V410-Y412 PolarHBondContact O-N 3.3Å; V410-H418 PolarHBondContact O-NE2 3.2Å; V410-H418 VanDerWaalsContact O-NE2 3.1Å; V410-V452 HydrophobicContact CG1-CB 4.43Å; V410-V452 HydrophobicContact CG1-CG1 4.24Å; V410-V452 HydrophobicContact CG1-CG2 4.12Å; V410-V452 HydrophobicContact CG2-CG2 4.32Å; V410-I455 HydrophobicContact CG1-CB 4.44Å; V410-I455 HydrophobicContact CG1-CD1 3.68Å; V410-I455 HydrophobicContact CG1-CG2 4.21Å; V410-K459 WeakPolarHBondContact O-CE 3.47Å
411	R	94.3	Very high	91.7	Very high	76 Å²	76	50 Å²	50	29%	0.287	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-42.7	179.1	-175.2	-179.1	-67.2	-177.5	0.2	113.3	T409 E438 L444 W446 W447 K459	T409-R411 VanDerWaalsContact C-N 3.25Å; T409-R411 PolarHBondContact O-N 2.76Å; R411-E438 WeakPolarHBondContact CD-OE1 3.27Å; R411-E438 IonicContact CZ-OE1 3.59Å; R411-E438 IonicContact NE-OE1 3.71Å; R411-E438 IonicContact NH1-OE1 2.8Å; R411-E438 PolarHBondContact NH1-OE1 3.16Å; R411-L444 HydrophobicContact CG-CD1 3.76Å; R411-W446 PolarHBondContact O-NE1 3.24Å; R411-W447 PolarHBondContact NH2-O 2.86Å; R411-K459 WeakPolarHBondContact O-CE 3.44Å; R411-K459 PolarHBondContact O-NZ 3.07Å
412	Y	96.1	Very high	91.9	Very high	17 Å²	17	43.6 Å²	43.6	7%	0.067	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-22.1	-174.9	-45.6	-87.6	0	0	0	113	K364 P365 T409 V410 S431 Y434 E438 L444	K364-Y412 HydrophobicContact CB-CD2 3.56Å; K364-Y412 HydrophobicContact CB-CE2 3.71Å; K364-Y412 HydrophobicContact CB-CG 4.04Å; P365-Y412 VanDerWaalsContact CD-CZ 3.48Å; P365-Y412 HydrophobicContact CG-CE1 4.14Å; T409-Y412 HydrophobicContact CG2-CD2 3.93Å; T409-Y412 HydrophobicContact CG2-CE2 4.16Å; T409-Y412 PolarHBondContact O-N 3.29Å; V410-Y412 PolarHBondContact O-N 3.3Å; Y412-S431 WeakPolarHBondContact O-CA 3.13Å; Y412-S431 PolarHBondContact O-OG 3.17Å; Y412-Y434 VanDerWaalsContact O-CD2 3.28Å; Y412-Y434 WeakPolarHBondContact O-CD2 3.43Å; Y412-E438 PolarHBondContact OH-OE1 3.12Å; Y412-E438 PolarHBondContact OH-OE2 3.4Å; Y412-L444 HydrophobicContact CD1-CD1 4.24Å; Y412-L444 HydrophobicContact CE1-CD1 4.26Å
413	A	94.6	Very high	92.3	Very high	5 Å²	5	42.2 Å²	42.2	4%	0.041	22%	0.217	C	C	.	.			trans	-55	143.5	-179.3	0	0	0	0	0	112.6	F406 T409 A417 K459	F406-A413 HydrophobicContact CE2-CB 3.98Å; F406-A413 HydrophobicContact CZ-CB 3.94Å; T409-A413 PolarHBondContact O-N 3.49Å; A413-A417 HydrophobicContact CB-CB 3.92Å; A413-K459 WeakPolarHBondContact O-CE 3.31Å; A413-K459 PolarHBondContact O-NZ 3.46Å
414	S	95.3	Very high	92.6	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.007	18%	0.184	C	C	.	.			trans	-71.2	163.8	-179.4	78.9	0	0	0	0	112.2	K416 A417 H418 D427	S414-K416 PolarHBondContact O-N 2.85Å; S414-K416 PolarHBondContact OG-N 3.41Å; S414-A417 WeakPolarHBondContact O-CB 3.25Å; S414-A417 PolarHBondContact O-N 3.21Å; S414-A417 PolarHBondContact OG-N 3.15Å; S414-H418 PolarHBondContact O-CD2 3.19Å; S414-H418 PolarHBondContact O-N 2.91Å; S414-D427 VanDerWaalsContact CB-OD1 3.29Å; S414-D427 WeakPolarHBondContact CB-OD1 3.39Å; S414-D427 PolarHBondContact OG-OD1 2.94Å
415	C	94	Very high	93	Very high	31 Å²	31	33.5 Å²	33.5	21%	0.209	18%	0.175	C	C	.	.	H	α-helix	trans	-58.3	-31.2	174.9	-62.2	0	0	0	0	112.9	A417 H418 L419 F456 L460	C415-A417 VanDerWaalsContact C-N 3.32Å; C415-A417 PolarHBondContact O-N 3.13Å; C415-H418 PolarHBondContact O-N 2.87Å; C415-L419 WeakPolarHBondContact O-CG 3.26Å; C415-L419 PolarHBondContact O-N 2.68Å; C415-F456 HydrophobicContact CB-CD2 4.45Å; C415-F456 HydrophobicContact CB-CE2 3.95Å; C415-L460 HydrophobicContact CB-CD2 4.48Å
416	K	93.7	Very high	93.4	Very high	53 Å²	53	32.4 Å²	32.4	23%	0.23	16%	0.163	C	C	.	.	H	α-helix	trans	-65.7	-35.6	174.7	-56.6	-174.2	-154.3	140.8	0	111.9	S414 L419 S420 M421 L423 D427 L485	S414-K416 PolarHBondContact O-N 2.85Å; S414-K416 PolarHBondContact OG-N 3.41Å; K416-L419 CarbonylContact O-C 3.57Å; K416-L419 PolarHBondContact O-N 3.4Å; K416-S420 PolarHBondContact O-N 3.11Å; K416-M421 HydrophobicContact CB-CB 4.23Å; K416-M421 HydrophobicContact CB-SD 4.25Å; K416-M421 HydrophobicContact CG-SD 4.4Å; K416-M421 WeakPolarHBondContact O-CB 3.48Å; K416-M421 PolarHBondContact O-N 3.39Å; K416-L423 HydrophobicContact CB-CD2 3.92Å; K416-D427 VanDerWaalsContact CD-OD1 3.32Å; K416-D427 WeakPolarHBondContact CD-OD1 3.45Å; K416-D427 IonicContact NZ-OD1 2.77Å; K416-D427 PolarHBondContact NZ-OD1 2.84Å; K416-D427 IonicContact NZ-OD2 2.95Å; K416-D427 PolarHBondContact NZ-OD2 3.37Å; K416-L485 PolarHBondContact NZ-O 3.48Å
417	A	93.9	Very high	93.6	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.008	15%	0.15	C	C	.	.	H	α-helix	trans	-69.5	-39.9	177.2	0	0	0	0	0	112.3	F406 A413 S414 C415 L419 S420 L423	F406-A417 WeakPolarHBondContact CD2-O 3.48Å; A413-A417 HydrophobicContact CB-CB 3.92Å; S414-A417 WeakPolarHBondContact O-CB 3.25Å; S414-A417 PolarHBondContact O-N 3.21Å; S414-A417 PolarHBondContact OG-N 3.15Å; C415-A417 VanDerWaalsContact C-N 3.32Å; C415-A417 PolarHBondContact O-N 3.13Å; A417-L419 VanDerWaalsContact C-N 3.27Å; A417-L419 PolarHBondContact O-N 2.88Å; A417-S420 PolarHBondContact O-N 2.8Å; A417-L423 HydrophobicContact CB-CD1 3.85Å; A417-L423 HydrophobicContact CB-CD2 3.85Å; A417-L423 HydrophobicContact CB-CG 4.45Å
418	H	93.4	Very high	94	Very high	24 Å²	24	25 Å²	25	11%	0.111	13%	0.134	C	C	.	.	H	α-helix	trans	-61.8	-35	171	-79.9	-99.1	0	0	0	112.1	V410 S414 C415 S420 V452 F456	V410-H418 PolarHBondContact O-NE2 3.2Å; V410-H418 VanDerWaalsContact O-NE2 3.1Å; S414-H418 PolarHBondContact O-CD2 3.19Å; S414-H418 PolarHBondContact O-N 2.91Å; C415-H418 PolarHBondContact O-N 2.87Å; H418-S420 PolarHBondContact O-N 2.79Å; H418-V452 PolarHBondContact ND1-O 2.92Å; H418-F456 HydrophobicContact CB-CB 4.17Å; H418-F456 HydrophobicContact CB-CD2 3.39Å; H418-F456 HydrophobicContact CB-CE2 4Å; H418-F456 HydrophobicContact CB-CG 3.98Å; H418-F456 AromaticContact CG-CD2 3.96Å
419	L	92.9	Very high	94.4	Very high	99 Å²	99	24.2 Å²	24.2	52%	0.518	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	17.6	170.7	-66.5	171.5	0	0	0	114.1	C415 K416 A417 M421 F456	C415-L419 WeakPolarHBondContact O-CG 3.26Å; C415-L419 PolarHBondContact O-N 2.68Å; K416-L419 CarbonylContact O-C 3.57Å; K416-L419 PolarHBondContact O-N 3.4Å; A417-L419 VanDerWaalsContact C-N 3.27Å; A417-L419 PolarHBondContact O-N 2.88Å; L419-M421 HydrophobicContact CB-CG 3.99Å; L419-M421 HydrophobicContact CB-SD 4.39Å; L419-M421 WeakPolarHBondContact O-CG 3.11Å; L419-M421 PolarHBondContact O-N 3.48Å; L419-F456 HydrophobicContact CD1-CE2 4.31Å; L419-F456 HydrophobicContact CD1-CZ 4.06Å; L419-F456 HydrophobicContact CD2-CE1 4.19Å; L419-F456 HydrophobicContact CD2-CE2 4.31Å; L419-F456 HydrophobicContact CD2-CZ 3.64Å; L419-F456 HydrophobicContact CG-CE2 3.91Å; L419-F456 HydrophobicContact CG-CZ 3.71Å
420	S	92.1	Very high	94.6	Very high	24 Å²	24	23 Å²	23	17%	0.168	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	12.4	179	-72.2	0	0	0	0	116.5	E403 V404 G405 F406 K416 A417 H418	E403-S420 WeakPolarHBondContact CA-O 3.49Å; E403-S420 VanDerWaalsContact CG-CB 3.48Å; E403-S420 WeakPolarHBondContact OE1-CB 3.24Å; V404-S420 PolarHBondContact N-O 3.49Å; G405-S420 WeakPolarHBondContact CA-OG 3Å; G405-S420 PolarHBondContact N-O 3.48Å; F406-S420 PolarHBondContact N-OG 2.8Å; K416-S420 PolarHBondContact O-N 3.11Å; A417-S420 PolarHBondContact O-N 2.8Å; H418-S420 PolarHBondContact O-N 2.79Å
421	M	92.5	Very high	94.7	Very high	78 Å²	78	21.3 Å²	21.3	38%	0.384	11%	0.107	S	C	.	.	B	Isolated β-bridge	trans	-75.9	154.1	-175.1	-53.6	-177.4	81.2	0	0	112.6	G402 K416 L419 L423	G402-M421 CarbonylContact O-C 3.58Å; K416-M421 HydrophobicContact CB-CB 4.23Å; K416-M421 HydrophobicContact CB-SD 4.25Å; K416-M421 HydrophobicContact CG-SD 4.4Å; K416-M421 WeakPolarHBondContact O-CB 3.48Å; K416-M421 PolarHBondContact O-N 3.39Å; L419-M421 HydrophobicContact CB-CG 3.99Å; L419-M421 HydrophobicContact CB-SD 4.39Å; L419-M421 WeakPolarHBondContact O-CG 3.11Å; L419-M421 PolarHBondContact O-N 3.48Å; M421-L423 WeakPolarHBondContact O-CD2 3.14Å; M421-L423 PolarHBondContact O-N 2.76Å
422	D	91.9	Very high	94.9	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.011	9%	0.093	C	C	.	.	P	Polyproline II helix	trans	-67.7	131.8	172.8	-162.4	24.3	0	0	0	112	K388 R401 G402 V404 F487	K388-D422 WeakPolarHBondContact CD-OD1 3.46Å; K388-D422 IonicContact NZ-OD1 3.79Å; K388-D422 PolarHBondContact NZ-OD1 2.96Å; K388-D422 IonicContact NZ-OD2 2.72Å; K388-D422 PolarHBondContact NZ-OD2 2.79Å; R401-D422 HydrophobicContact CB-CB 4.23Å; R401-D422 IonicContact CZ-OD1 3.64Å; R401-D422 IonicContact CZ-OD2 3.55Å; R401-D422 IonicContact NE-OD1 3.68Å; R401-D422 IonicContact NE-OD2 2.82Å; R401-D422 PolarHBondContact NE-OD2 3.11Å; R401-D422 VanDerWaalsContact NH2-CG 3.3Å; R401-D422 IonicContact NH2-OD1 2.76Å; R401-D422 PolarHBondContact NH2-OD1 3.01Å; R401-D422 IonicContact NH2-OD2 3.43Å; R401-D422 PolarHBondContact NH2-OD2 2.97Å; G402-D422 PolarHBondContact O-N 3.13Å; V404-D422 HydrophobicContact CG1-CB 3.89Å; V404-D422 HydrophobicContact CG2-CB 4.12Å; D422-F487 HydrophobicContact CB-CE2 4.15Å; D422-F487 WeakPolarHBondContact O-CD2 3.28Å; D422-F487 WeakPolarHBondContact O-CE2 3.38Å
423	L	93.9	Very high	94.9	Very high	6 Å²	6	16.9 Å²	16.9	3%	0.031	9%	0.09	C	C	.	.	P	Polyproline II helix	trans	-94.6	142.6	-166.5	-56.3	-179.5	0	0	0	112.5	R361 K388 K416 A417 M421 D427	R361-L423 HydrophobicContact CB-CD1 4.02Å; R361-L423 HydrophobicContact CG-CB 4.04Å; R361-L423 HydrophobicContact CG-CD1 4.07Å; K388-L423 PolarHBondContact NZ-O 3.36Å; K416-L423 HydrophobicContact CB-CD2 3.92Å; A417-L423 HydrophobicContact CB-CD1 3.85Å; A417-L423 HydrophobicContact CB-CD2 3.85Å; A417-L423 HydrophobicContact CB-CG 4.45Å; M421-L423 WeakPolarHBondContact O-CD2 3.14Å; M421-L423 PolarHBondContact O-N 2.76Å; L423-D427 HydrophobicContact CB-CB 4.01Å; L423-D427 HydrophobicContact CD2-CB 4.1Å; L423-D427 HydrophobicContact CG-CB 4.45Å
424	G	93.5	Very high	95.1	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.01	9%	0.089	C	C	.	.			trans	-110	-174.5	176	0	0	0	0	0	112.8	G426 D427	G424-G426 PolarHBondContact O-N 3.33Å; G424-D427 PolarHBondContact N-OD2 3.25Å; G424-D427 WeakPolarHBondContact O-CB 3.45Å; G424-D427 PolarHBondContact O-N 2.98Å
425	R	95.7	Very high	95.1	Very high	3 Å²	3	16.8 Å²	16.8	1%	0.011	9%	0.089	C	C	.	.	H	α-helix	trans	-60.1	-33.8	-177.7	-55.5	-173.1	-89.7	-162.5	-1.4	113.4	H354 V359 Y390 D427 L429 S488 S489 E490 P491	H354-R425 VanDerWaalsContact CD2-CG 3.49Å; H354-R425 WeakPolarHBondContact CD2-CG 3.45Å; V359-R425 HydrophobicContact CG2-CG 4.1Å; Y390-R425 HydrophobicContact CD1-CG 4.43Å; Y390-R425 HydrophobicContact CD2-CG 4.28Å; Y390-R425 HydrophobicContact CE1-CG 4.32Å; Y390-R425 HydrophobicContact CE2-CG 4.18Å; Y390-R425 HydrophobicContact CG-CG 4.43Å; Y390-R425 PolarHBondContact OH-NH1 2.86Å; Y390-R425 VanDerWaalsContact OH-NH1 3.08Å; R425-D427 VanDerWaalsContact C-N 3.29Å; R425-D427 PolarHBondContact O-N 2.76Å; R425-L429 PolarHBondContact O-N 3.39Å; R425-S488 PolarHBondContact NH2-O 2.82Å; R425-S489 PolarHBondContact NE-O 3.23Å; R425-S489 PolarHBondContact NH2-O 2.94Å; R425-S489 VanDerWaalsContact NH2-O 3.15Å; R425-E490 IonicContact CZ-OE2 3.85Å; R425-E490 IonicContact NH1-OE1 2.76Å; R425-E490 IonicContact NH1-OE2 2.78Å; R425-E490 PolarHBondContact NH1-OE2 2.65Å; R425-E490 VanDerWaalsContact NH2-CA 3.26Å; R425-E490 IonicContact NH2-OE2 3.8Å; R425-E490 PolarHBondContact NH2-OE2 3.41Å; R425-P491 HydrophobicContact CB-CG 3.84Å
426	G	95.7	Very high	95.3	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-64.6	-30	176.4	0	0	0	0	0	113.7	G424 L429 I430	G424-G426 PolarHBondContact O-N 3.33Å; G426-L429 CarbonylContact O-C 3.5Å; G426-L429 PolarHBondContact O-N 3.23Å; G426-L429 VanDerWaalsContact O-N 3.14Å; G426-I430 WeakPolarHBondContact O-CG1 3.42Å; G426-I430 PolarHBondContact O-N 3.48Å
427	D	96.2	Very high	95.4	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.005	7%	0.07	C	C	.	.	H	α-helix	trans	-73	-32.2	-177.5	-63.7	-76.8	0	0	0	112.5	S414 K416 L423 G424 R425 L429 S431	S414-D427 VanDerWaalsContact CB-OD1 3.29Å; S414-D427 WeakPolarHBondContact CB-OD1 3.39Å; S414-D427 PolarHBondContact OG-OD1 2.94Å; K416-D427 VanDerWaalsContact CD-OD1 3.32Å; K416-D427 WeakPolarHBondContact CD-OD1 3.45Å; K416-D427 IonicContact NZ-OD1 2.77Å; K416-D427 PolarHBondContact NZ-OD1 2.84Å; K416-D427 IonicContact NZ-OD2 2.95Å; K416-D427 PolarHBondContact NZ-OD2 3.37Å; L423-D427 HydrophobicContact CB-CB 4.01Å; L423-D427 HydrophobicContact CD2-CB 4.1Å; L423-D427 HydrophobicContact CG-CB 4.45Å; G424-D427 PolarHBondContact N-OD2 3.25Å; G424-D427 WeakPolarHBondContact O-CB 3.45Å; G424-D427 PolarHBondContact O-N 2.98Å; R425-D427 VanDerWaalsContact C-N 3.29Å; R425-D427 PolarHBondContact O-N 2.76Å; D427-L429 VanDerWaalsContact C-N 3.34Å; D427-S431 WeakPolarHBondContact O-CB 3.41Å; D427-S431 PolarHBondContact O-N 3.05Å; D427-S431 VanDerWaalsContact O-N 3.1Å; D427-S431 PolarHBondContact O-OG 3.23Å
428	D	97.4	Very high	95.4	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.005	7%	0.07	C	C	.	.	H	α-helix	trans	-65	-37.7	167.1	-87.3	4	0	0	0	111.8	H354 V359 H360 R361 I363 S431 F432	H354-D428 IonicContact CE1-OD2 2.68Å; H354-D428 PolarHBondContact CE1-OD2 2.78Å; H354-D428 IonicContact NE2-OD2 3.17Å; V359-D428 HydrophobicContact CG1-CB 4.44Å; V359-D428 WeakPolarHBondContact CG1-OD2 3.26Å; H360-D428 WeakPolarHBondContact CA-OD2 3.5Å; H360-D428 VanDerWaalsContact CB-OD2 3.22Å; H360-D428 WeakPolarHBondContact CB-OD2 3.27Å; H360-D428 PolarHBondContact N-OD2 3.17Å; R361-D428 VanDerWaalsContact CA-OD1 3.27Å; R361-D428 WeakPolarHBondContact CA-OD1 3.38Å; R361-D428 PolarHBondContact N-OD1 2.95Å; I363-D428 HydrophobicContact CG1-CB 3.91Å; D428-S431 WeakPolarHBondContact O-CB 3.33Å; D428-S431 PolarHBondContact O-N 2.72Å; D428-F432 WeakPolarHBondContact O-CB 3.38Å; D428-F432 PolarHBondContact O-N 3.1Å
429	L	97.7	Very high	95.4	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-77.2	-29.3	179.6	-65.6	178.9	0	0	0	113.3	L347 V350 R425 G426 D427 S431 F432 F433 V482 L485 P491 Y493 I496	L347-L429 HydrophobicContact CD1-CD2 3.67Å; V350-L429 HydrophobicContact CG1-CD2 4.32Å; R425-L429 PolarHBondContact O-N 3.39Å; G426-L429 CarbonylContact O-C 3.5Å; G426-L429 PolarHBondContact O-N 3.23Å; G426-L429 VanDerWaalsContact O-N 3.14Å; D427-L429 VanDerWaalsContact C-N 3.34Å; L429-S431 VanDerWaalsContact C-N 3.32Å; L429-F432 HydrophobicContact CD2-CB 4.46Å; L429-F432 HydrophobicContact CD2-CD1 4.5Å; L429-F432 PolarHBondContact O-N 3.5Å; L429-F433 WeakPolarHBondContact O-CB 3.43Å; L429-F433 PolarHBondContact O-N 3.14Å; L429-V482 HydrophobicContact CB-CG1 4.07Å; L429-V482 HydrophobicContact CB-CG2 3.86Å; L429-L485 HydrophobicContact CB-CD1 4.48Å; L429-L485 HydrophobicContact CD1-CD1 3.89Å; L429-P491 HydrophobicContact CD1-CB 3.31Å; L429-P491 HydrophobicContact CD1-CG 3.58Å; L429-Y493 HydrophobicContact CD1-CE1 4.26Å; L429-Y493 HydrophobicContact CD2-CE1 4.38Å; L429-I496 HydrophobicContact CD1-CD1 4.14Å
430	I	96.9	Very high	95.4	Very high	18 Å²	18	9.2 Å²	9.2	9%	0.092	5%	0.048	C	C	.	.	H	α-helix	trans	-61.7	-44.7	166	-70.3	168.1	0	0	0	109.5	G426 F433 Y434 L464 V482	G426-I430 WeakPolarHBondContact O-CG1 3.42Å; G426-I430 PolarHBondContact O-N 3.48Å; I430-F433 PolarHBondContact O-N 2.96Å; I430-Y434 HydrophobicContact CG2-CD2 3.93Å; I430-Y434 HydrophobicContact CG2-CE2 3.4Å; I430-Y434 VanDerWaalsContact CG2-CE2 3.4Å; I430-Y434 VanDerWaalsContact O-CD2 3.27Å; I430-Y434 WeakPolarHBondContact O-CD2 3.22Å; I430-Y434 PolarHBondContact O-N 3.01Å; I430-L464 HydrophobicContact CD1-CD1 4.49Å; I430-L464 HydrophobicContact CG1-CD1 4.03Å; I430-V482 HydrophobicContact CB-CG1 4.29Å; I430-V482 HydrophobicContact CG1-CG1 3.58Å
431	S	97.3	Very high	95.2	Very high	7 Å²	7	10.6 Å²	10.6	5%	0.049	5%	0.054	C	C	.	.	H	α-helix	trans	-65.3	-39.8	177.6	-54.3	0	0	0	0	111.9	Y412 D427 D428 L429 Y434 M435	Y412-S431 WeakPolarHBondContact O-CA 3.13Å; Y412-S431 PolarHBondContact O-OG 3.17Å; D427-S431 WeakPolarHBondContact O-CB 3.41Å; D427-S431 PolarHBondContact O-N 3.05Å; D427-S431 VanDerWaalsContact O-N 3.1Å; D427-S431 PolarHBondContact O-OG 3.23Å; D428-S431 WeakPolarHBondContact O-CB 3.33Å; D428-S431 PolarHBondContact O-N 2.72Å; L429-S431 VanDerWaalsContact C-N 3.32Å; S431-Y434 PolarHBondContact O-N 3.09Å; S431-M435 PolarHBondContact O-N 1.79Å
432	F	97.7	Very high	94.8	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-61.4	-43.5	170.8	174.9	-100.8	0	0	0	112.6	G343 C346 L347 I363 D428 L429 M435 L436 I496 L500	G343-F432 WeakPolarHBondContact O-CZ 3.09Å; C346-F432 HydrophobicContact CB-CE2 4.03Å; L347-F432 HydrophobicContact CB-CE2 4Å; L347-F432 HydrophobicContact CB-CZ 3.78Å; L347-F432 HydrophobicContact CD1-CE1 4.27Å; L347-F432 HydrophobicContact CD1-CZ 4.3Å; L347-F432 HydrophobicContact CG-CZ 4.44Å; I363-F432 HydrophobicContact CG2-CB 4.05Å; D428-F432 WeakPolarHBondContact O-CB 3.38Å; D428-F432 PolarHBondContact O-N 3.1Å; L429-F432 HydrophobicContact CD2-CB 4.46Å; L429-F432 HydrophobicContact CD2-CD1 4.5Å; L429-F432 PolarHBondContact O-N 3.5Å; F432-M435 HydrophobicContact CD2-CE 3.74Å; F432-M435 HydrophobicContact CE2-CE 4.07Å; F432-M435 WeakPolarHBondContact O-CB 3.5Å; F432-M435 PolarHBondContact O-N 2.84Å; F432-L436 HydrophobicContact CD1-CD1 4.17Å; F432-L436 HydrophobicContact CD1-CG 4.43Å; F432-L436 HydrophobicContact CE1-CD1 3.49Å; F432-L436 VanDerWaalsContact CE1-CD1 3.49Å; F432-L436 HydrophobicContact CE1-CG 4.06Å; F432-L436 HydrophobicContact CE2-CD2 4.29Å; F432-L436 HydrophobicContact CE2-CG 4.39Å; F432-L436 HydrophobicContact CZ-CD1 3.69Å; F432-L436 HydrophobicContact CZ-CD2 4.13Å; F432-L436 HydrophobicContact CZ-CG 4.03Å; F432-L436 PolarHBondContact O-N 3.14Å; F432-I496 HydrophobicContact CE1-CG2 4.27Å; F432-L500 HydrophobicContact CZ-CD1 4.21Å
433	F	97.6	Very high	94.7	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-62.1	-45.5	176.2	174	-95	0	0	0	111.8	L429 I430 M435 L436 Y437 L464 M467 M475 L478 A479	L429-F433 WeakPolarHBondContact O-CB 3.43Å; L429-F433 PolarHBondContact O-N 3.14Å; I430-F433 PolarHBondContact O-N 2.96Å; F433-M435 VanDerWaalsContact C-N 3.26Å; F433-M435 PolarHBondContact O-N 2.84Å; F433-L436 PolarHBondContact O-N 3.4Å; F433-Y437 HydrophobicContact CE1-CD2 4.44Å; F433-Y437 HydrophobicContact CZ-CD2 4.35Å; F433-Y437 WeakPolarHBondContact O-CB 3.24Å; F433-Y437 PolarHBondContact O-N 2.69Å; F433-L464 HydrophobicContact CD1-CD2 3.34Å; F433-L464 HydrophobicContact CE1-CD2 3.71Å; F433-L464 HydrophobicContact CG-CD2 4.22Å; F433-M467 HydrophobicContact CE1-CB 3.84Å; F433-M467 HydrophobicContact CE1-SD 4.48Å; F433-M467 HydrophobicContact CZ-CB 3.89Å; F433-M475 HydrophobicContact CD2-CE 3.92Å; F433-M475 HydrophobicContact CE2-CE 3.71Å; F433-L478 HydrophobicContact CB-CD2 4.4Å; F433-L478 HydrophobicContact CD2-CD2 3.87Å; F433-A479 HydrophobicContact CD2-CB 4.32Å; F433-A479 HydrophobicContact CE2-CB 3.76Å; F433-A479 HydrophobicContact CZ-CB 4.01Å
434	Y	97.2	Very high	94.7	Very high	4 Å²	4	12.9 Å²	12.9	2%	0.016	7%	0.065	C	C	.	.	H	α-helix	trans	-63.1	-33.6	174.7	-65.3	-43.8	0	0	0	112.2	Y412 I430 S431 E438 L444 W446 K459 L464 M467	Y412-Y434 VanDerWaalsContact O-CD2 3.28Å; Y412-Y434 WeakPolarHBondContact O-CD2 3.43Å; I430-Y434 HydrophobicContact CG2-CD2 3.93Å; I430-Y434 HydrophobicContact CG2-CE2 3.4Å; I430-Y434 VanDerWaalsContact CG2-CE2 3.4Å; I430-Y434 VanDerWaalsContact O-CD2 3.27Å; I430-Y434 WeakPolarHBondContact O-CD2 3.22Å; I430-Y434 PolarHBondContact O-N 3.01Å; S431-Y434 PolarHBondContact O-N 3.09Å; Y434-E438 WeakPolarHBondContact O-CB 3.37Å; Y434-E438 PolarHBondContact O-N 2.74Å; Y434-L444 HydrophobicContact CD1-CD2 3.92Å; Y434-L444 HydrophobicContact CG-CD2 4.31Å; Y434-W446 AromaticContact CD1-CH2 3.83Å; Y434-W446 HydrophobicContact CD1-CH2 3.83Å; Y434-W446 AromaticContact CD1-CZ2 3.83Å; Y434-W446 HydrophobicContact CD1-CZ2 3.83Å; Y434-W446 AromaticContact CE1-CH2 3.45Å; Y434-W446 HydrophobicContact CE1-CH2 3.45Å; Y434-W446 VanDerWaalsContact CE1-CH2 3.45Å; Y434-W446 AromaticContact CE1-CZ2 3.79Å; Y434-W446 HydrophobicContact CE1-CZ2 3.79Å; Y434-W446 HydrophobicContact CE2-CZ2 4.44Å; Y434-W446 HydrophobicContact CG-CZ2 4.21Å; Y434-W446 AromaticContact CZ-CH2 3.95Å; Y434-K459 VanDerWaalsContact CE2-NZ 3.33Å; Y434-L464 HydrophobicContact CD1-CD2 4.36Å; Y434-L464 HydrophobicContact CE1-CD2 3.67Å; Y434-M467 HydrophobicContact CD1-CE 4.17Å; Y434-M467 HydrophobicContact CD1-SD 4.4Å; Y434-M467 HydrophobicContact CE1-CE 4.29Å; Y434-M467 HydrophobicContact CE1-SD 3.95Å
435	M	96.6	Very high	94.7	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-62.1	-49.9	171	175.4	174.2	83.8	0	0	111.8	C346 P365 F368 S431 F432 F433 Y437 E438 L439	C346-M435 HydrophobicContact CB-CE 3.94Å; P365-M435 HydrophobicContact CG-CG 3.85Å; P365-M435 HydrophobicContact CG-SD 4.29Å; F368-M435 HydrophobicContact CD2-CE 3.97Å; F368-M435 HydrophobicContact CD2-SD 3.67Å; F368-M435 HydrophobicContact CE2-CE 3.55Å; F368-M435 HydrophobicContact CE2-SD 3.61Å; F368-M435 HydrophobicContact CZ-CE 4.2Å; S431-M435 PolarHBondContact O-N 1.79Å; F432-M435 HydrophobicContact CD2-CE 3.74Å; F432-M435 HydrophobicContact CE2-CE 4.07Å; F432-M435 WeakPolarHBondContact O-CB 3.5Å; F432-M435 PolarHBondContact O-N 2.84Å; F433-M435 VanDerWaalsContact C-N 3.26Å; F433-M435 PolarHBondContact O-N 2.84Å; M435-Y437 VanDerWaalsContact C-N 3.34Å; M435-Y437 PolarHBondContact O-N 3.16Å; M435-E438 PolarHBondContact O-N 3.38Å; M435-L439 HydrophobicContact CG-CD1 3.92Å; M435-L439 VanDerWaalsContact O-CG 3.25Å; M435-L439 WeakPolarHBondContact O-CG 3.35Å; M435-L439 PolarHBondContact O-N 2.97Å; M435-L439 VanDerWaalsContact O-N 3.1Å
436	L	96.8	Very high	94.6	Very high	2 Å²	2	14.5 Å²	14.5	1%	0.01	8%	0.076	C	C	.	.	H	α-helix	trans	-61.1	-42.4	177.1	-65.5	-173.4	0	0	0	111.8	V339 F432 F433 E438 L439 M440 M475 L478 L500	V339-L436 HydrophobicContact CG1-CD2 4Å; F432-L436 HydrophobicContact CD1-CD1 4.17Å; F432-L436 HydrophobicContact CD1-CG 4.43Å; F432-L436 HydrophobicContact CE1-CD1 3.49Å; F432-L436 VanDerWaalsContact CE1-CD1 3.49Å; F432-L436 HydrophobicContact CE1-CG 4.06Å; F432-L436 HydrophobicContact CE2-CD2 4.29Å; F432-L436 HydrophobicContact CE2-CG 4.39Å; F432-L436 HydrophobicContact CZ-CD1 3.69Å; F432-L436 HydrophobicContact CZ-CD2 4.13Å; F432-L436 HydrophobicContact CZ-CG 4.03Å; F432-L436 PolarHBondContact O-N 3.14Å; F433-L436 PolarHBondContact O-N 3.4Å; L436-E438 PolarHBondContact O-N 3.39Å; L436-L439 PolarHBondContact O-N 3.21Å; L436-M440 WeakPolarHBondContact O-CG 3.28Å; L436-M440 PolarHBondContact O-N 2.9Å; L436-M475 HydrophobicContact CB-CE 3.82Å; L436-M475 HydrophobicContact CD1-CE 4.16Å; L436-M475 HydrophobicContact CD1-SD 4.28Å; L436-L478 HydrophobicContact CD1-CD1 4.06Å; L436-L500 HydrophobicContact CD1-CD2 3.96Å
437	Y	96	Very high	94.3	Very high	11 Å²	11	19.1 Å²	19.1	4%	0.043	9%	0.093	C	C	.	.	H	α-helix	trans	-57.5	-47.8	176.6	-170.1	-70.6	0	0	0	111.3	F433 M435 L439 M440 D441 H443 L444 M467 K470 L471	F433-Y437 HydrophobicContact CE1-CD2 4.44Å; F433-Y437 HydrophobicContact CZ-CD2 4.35Å; F433-Y437 WeakPolarHBondContact O-CB 3.24Å; F433-Y437 PolarHBondContact O-N 2.69Å; M435-Y437 VanDerWaalsContact C-N 3.34Å; M435-Y437 PolarHBondContact O-N 3.16Å; Y437-L439 PolarHBondContact O-N 2.95Å; Y437-M440 PolarHBondContact O-N 3.09Å; Y437-D441 HydrophobicContact CD1-CB 3.99Å; Y437-D441 HydrophobicContact CE1-CB 3.54Å; Y437-D441 WeakPolarHBondContact CE1-OD2 3.1Å; Y437-D441 VanDerWaalsContact CZ-OD2 3.23Å; Y437-D441 WeakPolarHBondContact O-CB 3.45Å; Y437-D441 PolarHBondContact O-N 2.87Å; Y437-D441 PolarHBondContact OH-OD2 3.45Å; Y437-H443 VanDerWaalsContact CE1-O 3.3Å; Y437-H443 WeakPolarHBondContact CE1-O 3.45Å; Y437-L444 HydrophobicContact CD1-CD2 3.75Å; Y437-L444 HydrophobicContact CD1-CG 4.42Å; Y437-L444 HydrophobicContact CG-CD2 4.09Å; Y437-M467 HydrophobicContact CD1-CE 3.91Å; Y437-M467 HydrophobicContact CD2-CB 3.88Å; Y437-M467 HydrophobicContact CD2-CE 3.51Å; Y437-M467 HydrophobicContact CE1-CE 4.06Å; Y437-M467 HydrophobicContact CE2-CB 3.72Å; Y437-M467 HydrophobicContact CE2-CE 3.67Å; Y437-M467 HydrophobicContact CE2-CG 4.2Å; Y437-M467 HydrophobicContact CG-CE 3.68Å; Y437-K470 VanDerWaalsContact OH-CD 3.26Å; Y437-K470 WeakPolarHBondContact OH-CD 3.44Å; Y437-L471 HydrophobicContact CD2-CD1 3.4Å; Y437-L471 HydrophobicContact CD2-CD2 4.48Å; Y437-L471 HydrophobicContact CD2-CG 4Å; Y437-L471 HydrophobicContact CE2-CD1 3.97Å; Y437-L471 HydrophobicContact CE2-CD2 4.34Å; Y437-L471 HydrophobicContact CE2-CG 4.04Å; Y437-L471 HydrophobicContact CG-CD1 3.97Å
438	E	94.6	Very high	93.9	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-69.3	-14.6	177.8	-149.9	-158	-147	0	0	113.6	R328 R411 Y412 Y434 M435 L436 N442 L444	R328-E438 IonicContact CZ-OE2 3.88Å; R328-E438 PolarHBondContact NH1-O 2.89Å; R328-E438 IonicContact NH1-OE2 2.86Å; R328-E438 PolarHBondContact NH1-OE2 3.35Å; R328-E438 IonicContact NH2-OE1 3.42Å; R328-E438 PolarHBondContact NH2-OE1 3.04Å; R328-E438 IonicContact NH2-OE2 2.79Å; R328-E438 PolarHBondContact NH2-OE2 3.2Å; R411-E438 WeakPolarHBondContact CD-OE1 3.27Å; R411-E438 IonicContact CZ-OE1 3.59Å; R411-E438 IonicContact NE-OE1 3.71Å; R411-E438 IonicContact NH1-OE1 2.8Å; R411-E438 PolarHBondContact NH1-OE1 3.16Å; Y412-E438 PolarHBondContact OH-OE1 3.12Å; Y412-E438 PolarHBondContact OH-OE2 3.4Å; Y434-E438 WeakPolarHBondContact O-CB 3.37Å; Y434-E438 PolarHBondContact O-N 2.74Å; M435-E438 PolarHBondContact O-N 3.38Å; L436-E438 PolarHBondContact O-N 3.39Å; E438-N442 CarbonylContact O-C 3.59Å; E438-N442 VanDerWaalsContact O-C 3.27Å; E438-N442 WeakPolarHBondContact O-CA 3.08Å; E438-L444 HydrophobicContact CB-CD1 4.13Å; E438-L444 HydrophobicContact CB-CG 3.95Å; E438-L444 HydrophobicContact CG-CD1 4.21Å; E438-L444 HydrophobicContact CG-CG 4.06Å
439	L	93.6	Very high	93.6	Very high	1 Å²	1	30 Å²	30	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-90.1	-28.7	173.5	-68.3	168.6	0	0	0	112.3	F334 V339 I342 M435 L436 Y437	F334-L439 HydrophobicContact CD2-CB 4.38Å; F334-L439 HydrophobicContact CD2-CD2 3.69Å; F334-L439 HydrophobicContact CE2-CD2 3.45Å; F334-L439 VanDerWaalsContact CE2-CD2 3.45Å; V339-L439 HydrophobicContact CB-CB 4.49Å; V339-L439 HydrophobicContact CG1-CB 3.67Å; V339-L439 HydrophobicContact CG1-CD1 4.41Å; V339-L439 HydrophobicContact CG2-CB 3.94Å; V339-L439 WeakPolarHBondContact CG2-O 3.43Å; I342-L439 HydrophobicContact CG2-CD1 4.15Å; M435-L439 HydrophobicContact CG-CD1 3.92Å; M435-L439 VanDerWaalsContact O-CG 3.25Å; M435-L439 WeakPolarHBondContact O-CG 3.35Å; M435-L439 PolarHBondContact O-N 2.97Å; M435-L439 VanDerWaalsContact O-N 3.1Å; L436-L439 PolarHBondContact O-N 3.21Å; Y437-L439 PolarHBondContact O-N 2.95Å
440	M	92.1	Very high	93.1	Very high	33 Å²	33	35.1 Å²	35.1	16%	0.163	18%	0.18	C	C	.	.	H	α-helix	trans	-88	-48.7	177.2	-64.3	178.7	68.3	0	0	113.2	P336 V339 L436 Y437 N442 L471 M475 M503	P336-M440 HydrophobicContact CB-CE 4.15Å; V339-M440 HydrophobicContact CB-CG 3.94Å; V339-M440 HydrophobicContact CG1-CG 3.7Å; V339-M440 HydrophobicContact CG2-CG 4.03Å; L436-M440 WeakPolarHBondContact O-CG 3.28Å; L436-M440 PolarHBondContact O-N 2.9Å; Y437-M440 PolarHBondContact O-N 3.09Å; M440-N442 VanDerWaalsContact C-N 3.29Å; M440-N442 PolarHBondContact O-N 3.06Å; M440-L471 HydrophobicContact CB-CD2 4.06Å; M440-L471 HydrophobicContact CE-CB 4.05Å; M440-L471 HydrophobicContact CE-CD2 4.31Å; M440-L471 HydrophobicContact SD-CB 4.38Å; M440-L471 HydrophobicContact SD-CD1 3.96Å; M440-M475 HydrophobicContact CE-CG 4.37Å; M440-M475 HydrophobicContact SD-CE 4.03Å; M440-M475 HydrophobicContact SD-CG 4.05Å; M440-M475 HydrophobicContact SD-SD 4.26Å; M440-M503 HydrophobicContact CE-CE 3.67Å; M440-M503 HydrophobicContact SD-CE 3.85Å
441	D	87.9	Confident	92.8	Very high	54 Å²	54	38.1 Å²	38.1	29%	0.289	20%	0.196	S	C	.	.	S	Bend	trans	-91.6	8.1	-174.9	-151.3	37.2	0	0	0	111.9	Y437 H443 K470 L471	Y437-D441 HydrophobicContact CD1-CB 3.99Å; Y437-D441 HydrophobicContact CE1-CB 3.54Å; Y437-D441 WeakPolarHBondContact CE1-OD2 3.1Å; Y437-D441 VanDerWaalsContact CZ-OD2 3.23Å; Y437-D441 WeakPolarHBondContact O-CB 3.45Å; Y437-D441 PolarHBondContact O-N 2.87Å; Y437-D441 PolarHBondContact OH-OD2 3.45Å; D441-H443 PolarHBondContact O-N 3.19Å; D441-K470 IonicContact OD1-NZ 3.92Å; D441-K470 PolarHBondContact OD1-NZ 3.46Å; D441-K470 IonicContact OD2-NZ 3.15Å; D441-K470 PolarHBondContact OD2-NZ 3.29Å; D441-L471 HydrophobicContact CB-CD2 4.38Å
442	N	84.7	Confident	92.5	Very high	52 Å²	52	40.6 Å²	40.6	28%	0.278	21%	0.211	S	C	.	.	S	Bend	trans	58.6	-25.8	-167.3	-65.2	-85	0	0	0	116.2	E438 M440	E438-N442 CarbonylContact O-C 3.59Å; E438-N442 VanDerWaalsContact O-C 3.27Å; E438-N442 WeakPolarHBondContact O-CA 3.08Å; M440-N442 VanDerWaalsContact C-N 3.29Å; M440-N442 PolarHBondContact O-N 3.06Å
443	H	89.8	Confident	92.2	Very high	80 Å²	80	45.7 Å²	45.7	37%	0.37	24%	0.238	S	C	.	.	S	Bend	trans	-144.3	147.2	-171.2	-57.1	107.1	0	0	0	111.4	Y437 D441 W447	Y437-H443 VanDerWaalsContact CE1-O 3.3Å; Y437-H443 WeakPolarHBondContact CE1-O 3.45Å; D441-H443 PolarHBondContact O-N 3.19Å; H443-W447 HydrophobicContact CB-CB 4.13Å; H443-W447 HydrophobicContact CB-CD2 4.16Å; H443-W447 HydrophobicContact CB-CG 3.7Å; H443-W447 AromaticContact CD2-CD2 3.34Å; H443-W447 AromaticContact CD2-CE2 3.55Å; H443-W447 AromaticContact CD2-CE3 3.56Å; H443-W447 AromaticContact CD2-CG 3.81Å; H443-W447 AromaticContact CD2-CZ2 3.94Å; H443-W447 AromaticContact CD2-CZ3 3.95Å; H443-W447 AromaticContact CG-CD2 3.89Å; H443-W447 AromaticContact CG-CE2 3.84Å; H443-W447 AromaticContact CG-CG 3.99Å; H443-W447 AromaticContact CG-NE1 3.93Å; H443-W447 AromaticContact NE2-CH2 3.92Å; H443-W447 AromaticContact NE2-CZ2 3.96Å
444	L	93.4	Very high	92	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	26%	0.259	C	S	.	.			trans	-82.8	156.2	163.9	-75.7	158.2	0	0	0	109.8	R411 Y412 Y434 Y437 E438 W446 W447 M467	R411-L444 HydrophobicContact CG-CD1 3.76Å; Y412-L444 HydrophobicContact CD1-CD1 4.24Å; Y412-L444 HydrophobicContact CE1-CD1 4.26Å; Y434-L444 HydrophobicContact CD1-CD2 3.92Å; Y434-L444 HydrophobicContact CG-CD2 4.31Å; Y437-L444 HydrophobicContact CD1-CD2 3.75Å; Y437-L444 HydrophobicContact CD1-CG 4.42Å; Y437-L444 HydrophobicContact CG-CD2 4.09Å; E438-L444 HydrophobicContact CB-CD1 4.13Å; E438-L444 HydrophobicContact CB-CG 3.95Å; E438-L444 HydrophobicContact CG-CD1 4.21Å; E438-L444 HydrophobicContact CG-CG 4.06Å; L444-W446 HydrophobicContact CB-CD2 4.42Å; L444-W446 HydrophobicContact CB-CZ2 4.3Å; L444-W446 HydrophobicContact CD1-CZ2 4.28Å; L444-W446 HydrophobicContact CD2-CH2 4.17Å; L444-W446 HydrophobicContact CD2-CZ2 3.86Å; L444-W446 HydrophobicContact CG-CZ2 4.38Å; L444-W446 PolarHBondContact O-N 2.66Å; L444-W446 VanDerWaalsContact O-N 3.08Å; L444-W447 VanDerWaalsContact O-CB 3.25Å; L444-W447 WeakPolarHBondContact O-CB 3.26Å; L444-W447 PolarHBondContact O-N 2.86Å; L444-M467 HydrophobicContact CD2-CE 3.76Å
445	P	93	Very high	91.8	Very high	38 Å²	38	50.5 Å²	50.5	25%	0.247	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-32.9	-179.9	-27	34.7	0	0	0	114.3	M458 Y462 M467	P445-M458 HydrophobicContact CB-CE 4.27Å; P445-M458 WeakPolarHBondContact O-CE 3.36Å; P445-Y462 HydrophobicContact CB-CD1 4.04Å; P445-Y462 HydrophobicContact CB-CD2 3.82Å; P445-Y462 HydrophobicContact CB-CE1 3.9Å; P445-Y462 HydrophobicContact CB-CE2 3.68Å; P445-Y462 HydrophobicContact CB-CG 4Å; P445-Y462 HydrophobicContact CG-CD1 3.74Å; P445-Y462 HydrophobicContact CG-CD2 4.24Å; P445-Y462 HydrophobicContact CG-CE1 3.95Å; P445-Y462 HydrophobicContact CG-CE2 4.44Å; P445-Y462 HydrophobicContact CG-CG 3.9Å; P445-M467 HydrophobicContact CG-CE 4.17Å
446	W	94.7	Very high	91.7	Very high	1 Å²	1	52.1 Å²	52.1	0%	0.004	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	27.7	177.9	55.5	85	0	0	0	113.6	R411 Y434 L444 Q448 E449 I455 M458 K459 Y462 M467	R411-W446 PolarHBondContact O-NE1 3.24Å; Y434-W446 AromaticContact CD1-CH2 3.83Å; Y434-W446 HydrophobicContact CD1-CH2 3.83Å; Y434-W446 AromaticContact CD1-CZ2 3.83Å; Y434-W446 HydrophobicContact CD1-CZ2 3.83Å; Y434-W446 AromaticContact CE1-CH2 3.45Å; Y434-W446 HydrophobicContact CE1-CH2 3.45Å; Y434-W446 VanDerWaalsContact CE1-CH2 3.45Å; Y434-W446 AromaticContact CE1-CZ2 3.79Å; Y434-W446 HydrophobicContact CE1-CZ2 3.79Å; Y434-W446 HydrophobicContact CE2-CZ2 4.44Å; Y434-W446 HydrophobicContact CG-CZ2 4.21Å; Y434-W446 AromaticContact CZ-CH2 3.95Å; L444-W446 HydrophobicContact CB-CD2 4.42Å; L444-W446 HydrophobicContact CB-CZ2 4.3Å; L444-W446 HydrophobicContact CD1-CZ2 4.28Å; L444-W446 HydrophobicContact CD2-CH2 4.17Å; L444-W446 HydrophobicContact CD2-CZ2 3.86Å; L444-W446 HydrophobicContact CG-CZ2 4.38Å; L444-W446 PolarHBondContact O-N 2.66Å; L444-W446 VanDerWaalsContact O-N 3.08Å; W446-Q448 PolarHBondContact O-N 3.14Å; W446-E449 HydrophobicContact CB-CB 4.27Å; W446-E449 HydrophobicContact CB-CG 4.18Å; W446-E449 PolarHBondContact O-N 3.27Å; W446-I455 HydrophobicContact CB-CG1 4.29Å; W446-I455 HydrophobicContact CG-CG2 4.12Å; W446-M458 HydrophobicContact CB-CB 4.29Å; W446-M458 HydrophobicContact CB-CE 4.1Å; W446-M458 HydrophobicContact CB-SD 3.65Å; W446-M458 HydrophobicContact CE3-CB 4.06Å; W446-K459 HydrophobicContact CD2-CG 4.25Å; W446-K459 HydrophobicContact CE3-CG 4.29Å; W446-K459 HydrophobicContact CH2-CG 3.81Å; W446-K459 HydrophobicContact CZ2-CD 4.45Å; W446-K459 HydrophobicContact CZ2-CG 3.73Å; W446-K459 HydrophobicContact CZ3-CG 4.08Å; W446-Y462 HydrophobicContact CZ3-CG 4.48Å; W446-M467 HydrophobicContact CH2-CE 3.98Å; W446-M467 HydrophobicContact CH2-SD 4.02Å; W446-M467 HydrophobicContact CZ3-CE 4.35Å; W446-M467 HydrophobicContact CZ3-SD 4.26Å
447	W	89.9	Confident	91.5	Very high	96 Å²	96	57.3 Å²	57.3	36%	0.364	29%	0.29	S	S	.	.	S	Bend	trans	-67.2	-31	-170.3	73.6	-77.2	0	0	0	115.1	R411 H443 L444	R411-W447 PolarHBondContact NH2-O 2.86Å; H443-W447 HydrophobicContact CB-CB 4.13Å; H443-W447 HydrophobicContact CB-CD2 4.16Å; H443-W447 HydrophobicContact CB-CG 3.7Å; H443-W447 AromaticContact CD2-CD2 3.34Å; H443-W447 AromaticContact CD2-CE2 3.55Å; H443-W447 AromaticContact CD2-CE3 3.56Å; H443-W447 AromaticContact CD2-CG 3.81Å; H443-W447 AromaticContact CD2-CZ2 3.94Å; H443-W447 AromaticContact CD2-CZ3 3.95Å; H443-W447 AromaticContact CG-CD2 3.89Å; H443-W447 AromaticContact CG-CE2 3.84Å; H443-W447 AromaticContact CG-CG 3.99Å; H443-W447 AromaticContact CG-NE1 3.93Å; H443-W447 AromaticContact NE2-CH2 3.92Å; H443-W447 AromaticContact NE2-CZ2 3.96Å; L444-W447 VanDerWaalsContact O-CB 3.25Å; L444-W447 WeakPolarHBondContact O-CB 3.26Å; L444-W447 PolarHBondContact O-N 2.86Å
448	Q	87.7	Confident	91.4	Very high	148 Å²	148	58.2 Å²	58.2	69%	0.692	30%	0.295	S	S	*	.	S	Bend	trans	-86.9	-15.3	177.2	-54.1	-169.8	-88.4	0	0	112.7	W446	W446-Q448 PolarHBondContact O-N 3.14Å
449	E	90.3	Very high	91.4	Very high	82 Å²	82	58.4 Å²	58.4	38%	0.383	30%	0.296	S	S	.	.			trans	-71	147.8	-175.6	-62	-56.5	151	0	0	112.2	W446 F454 I455 M458	W446-E449 HydrophobicContact CB-CB 4.27Å; W446-E449 HydrophobicContact CB-CG 4.18Å; W446-E449 PolarHBondContact O-N 3.27Å; E449-F454 HydrophobicContact CB-CD1 4.46Å; E449-F454 HydrophobicContact CG-CD1 3.81Å; E449-F454 HydrophobicContact CG-CE1 3.97Å; E449-F454 WeakPolarHBondContact OE2-CD1 3.39Å; E449-I455 HydrophobicContact CB-CD1 4.15Å; E449-I455 HydrophobicContact CB-CG1 3.68Å; E449-M458 HydrophobicContact CG-SD 3.94Å
450	S	86.8	Confident	91.3	Very high	109 Å²	109	62.6 Å²	62.6	76%	0.762	32%	0.318	S	S	*	.			trans	-127.2	-21.9	-179.7	57.7	0	0	0	0	113.6	V452	S450-V452 PolarHBondContact O-N 2.9Å
451	D	91.7	Very high	91.4	Very high	80 Å²	80	66.2 Å²	66.2	43%	0.428	34%	0.342	S	S	.	.			trans	-72.8	125.4	174.1	-177	-91.5	0	0	0	111.3	N453 F454 I455	D451-N453 VanDerWaalsContact C-N 3.34Å; D451-N453 PolarHBondContact O-N 3.13Å; D451-N453 WeakPolarHBondContact OD1-CA 3.22Å; D451-N453 WeakPolarHBondContact OD1-CB 3.43Å; D451-N453 PolarHBondContact OD1-N 3.16Å; D451-F454 HydrophobicContact CB-CB 4.03Å; D451-F454 PolarHBondContact O-N 3.15Å; D451-F454 PolarHBondContact OD1-N 3.23Å; D451-I455 WeakPolarHBondContact O-CB 3.17Å; D451-I455 WeakPolarHBondContact O-CD1 3.3Å; D451-I455 WeakPolarHBondContact O-CG1 3.04Å; D451-I455 PolarHBondContact O-N 2.67Å
452	V	90.8	Very high	91.6	Very high	60 Å²	60	68.7 Å²	68.7	36%	0.364	35%	0.348	S	S	.	.	H	α-helix	trans	-64.6	-39.8	-175.2	-178.5	0	0	0	0	111.3	V410 H418 S450 F456	V410-V452 HydrophobicContact CG1-CB 4.43Å; V410-V452 HydrophobicContact CG1-CG1 4.24Å; V410-V452 HydrophobicContact CG1-CG2 4.12Å; V410-V452 HydrophobicContact CG2-CG2 4.32Å; H418-V452 PolarHBondContact ND1-O 2.92Å; S450-V452 PolarHBondContact O-N 2.9Å; V452-F456 WeakPolarHBondContact O-CB 3.34Å; V452-F456 PolarHBondContact O-N 2.82Å
453	N	91.5	Very high	91.9	Very high	106 Å²	106	74.8 Å²	74.8	57%	0.567	37%	0.367	S	S	*	.	H	α-helix	trans	-73	-38.7	-178	-57.6	-63.5	0	0	0	111.2	D451 F456 H457	D451-N453 VanDerWaalsContact C-N 3.34Å; D451-N453 PolarHBondContact O-N 3.13Å; D451-N453 WeakPolarHBondContact OD1-CA 3.22Å; D451-N453 WeakPolarHBondContact OD1-CB 3.43Å; D451-N453 PolarHBondContact OD1-N 3.16Å; N453-F456 WeakPolarHBondContact O-CB 3.41Å; N453-F456 PolarHBondContact O-N 2.83Å; N453-H457 PolarHBondContact O-N 2.91Å; N453-H457 PolarHBondContact O-ND1 3.33Å
454	F	92.3	Very high	92	Very high	101 Å²	101	72.1 Å²	72.1	44%	0.443	36%	0.355	S	S	.	.	H	α-helix	trans	-66	-43.5	175.2	-166.5	-111.1	0	0	0	111.2	E449 D451 F456 H457 M458	E449-F454 HydrophobicContact CB-CD1 4.46Å; E449-F454 HydrophobicContact CG-CD1 3.81Å; E449-F454 HydrophobicContact CG-CE1 3.97Å; E449-F454 WeakPolarHBondContact OE2-CD1 3.39Å; D451-F454 HydrophobicContact CB-CB 4.03Å; D451-F454 PolarHBondContact O-N 3.15Å; D451-F454 PolarHBondContact OD1-N 3.23Å; F454-F456 VanDerWaalsContact C-N 3.3Å; F454-F456 PolarHBondContact O-N 2.63Å; F454-H457 PolarHBondContact O-N 2.91Å; F454-M458 HydrophobicContact CD1-CG 4.33Å; F454-M458 HydrophobicContact CD1-SD 3.86Å; F454-M458 HydrophobicContact CE1-CG 4.14Å; F454-M458 HydrophobicContact CE1-SD 3.5Å; F454-M458 WeakPolarHBondContact CE1-SD 3.24Å; F454-M458 HydrophobicContact CZ-CG 4.43Å; F454-M458 HydrophobicContact CZ-SD 4.21Å; F454-M458 WeakPolarHBondContact O-CG 3.37Å; F454-M458 PolarHBondContact O-N 3.08Å
455	I	93.3	Very high	91.9	Very high	5 Å²	5	76.3 Å²	76.3	3%	0.026	38%	0.375	C	S	.	.	H	α-helix	trans	-58.6	-41	171.9	-68.3	163.4	0	0	0	111.3	V410 W446 E449 D451 M458 K459	V410-I455 HydrophobicContact CG1-CB 4.44Å; V410-I455 HydrophobicContact CG1-CD1 3.68Å; V410-I455 HydrophobicContact CG1-CG2 4.21Å; W446-I455 HydrophobicContact CB-CG1 4.29Å; W446-I455 HydrophobicContact CG-CG2 4.12Å; E449-I455 HydrophobicContact CB-CD1 4.15Å; E449-I455 HydrophobicContact CB-CG1 3.68Å; D451-I455 WeakPolarHBondContact O-CB 3.17Å; D451-I455 WeakPolarHBondContact O-CD1 3.3Å; D451-I455 WeakPolarHBondContact O-CG1 3.04Å; D451-I455 PolarHBondContact O-N 2.67Å; I455-M458 PolarHBondContact O-N 2.73Å; I455-K459 HydrophobicContact CG2-CD 3.93Å; I455-K459 VanDerWaalsContact CG2-CE 3.45Å; I455-K459 WeakPolarHBondContact O-CD 3.44Å; I455-K459 VanDerWaalsContact O-CG 3.28Å; I455-K459 WeakPolarHBondContact O-CG 3.17Å; I455-K459 PolarHBondContact O-N 2.73Å
456	F	94.2	Very high	92	Very high	33 Å²	33	79.3 Å²	79.3	15%	0.145	39%	0.393	C	S	.	.	H	α-helix	trans	-61.7	-49.2	174.8	175.7	-118.8	0	0	0	112.3	C415 H418 L419 V452 N453 F454 M458 K459 L460	C415-F456 HydrophobicContact CB-CD2 4.45Å; C415-F456 HydrophobicContact CB-CE2 3.95Å; H418-F456 HydrophobicContact CB-CB 4.17Å; H418-F456 HydrophobicContact CB-CD2 3.39Å; H418-F456 HydrophobicContact CB-CE2 4Å; H418-F456 HydrophobicContact CB-CG 3.98Å; H418-F456 AromaticContact CG-CD2 3.96Å; L419-F456 HydrophobicContact CD1-CE2 4.31Å; L419-F456 HydrophobicContact CD1-CZ 4.06Å; L419-F456 HydrophobicContact CD2-CE1 4.19Å; L419-F456 HydrophobicContact CD2-CE2 4.31Å; L419-F456 HydrophobicContact CD2-CZ 3.64Å; L419-F456 HydrophobicContact CG-CE2 3.91Å; L419-F456 HydrophobicContact CG-CZ 3.71Å; V452-F456 WeakPolarHBondContact O-CB 3.34Å; V452-F456 PolarHBondContact O-N 2.82Å; N453-F456 WeakPolarHBondContact O-CB 3.41Å; N453-F456 PolarHBondContact O-N 2.83Å; F454-F456 VanDerWaalsContact C-N 3.3Å; F454-F456 PolarHBondContact O-N 2.63Å; F456-M458 PolarHBondContact O-N 3.21Å; F456-K459 WeakPolarHBondContact O-CB 3.43Å; F456-K459 PolarHBondContact O-N 3.34Å; F456-K459 VanDerWaalsContact O-N 3.14Å; F456-L460 HydrophobicContact CD1-CD1 4.33Å; F456-L460 HydrophobicContact CE1-CD1 3.83Å; F456-L460 HydrophobicContact CE2-CD1 4.29Å; F456-L460 HydrophobicContact CE2-CD2 4.35Å; F456-L460 HydrophobicContact CE2-CG 4.33Å; F456-L460 HydrophobicContact CZ-CD1 3.81Å; F456-L460 HydrophobicContact CZ-CD2 4.43Å; F456-L460 HydrophobicContact CZ-CG 4.33Å; F456-L460 PolarHBondContact O-N 2.85Å; F456-L460 VanDerWaalsContact O-N 3.1Å
457	H	93.7	Very high	92	Very high	112 Å²	112	79.5 Å²	79.5	52%	0.519	39%	0.394	S	S	.	.	H	α-helix	trans	-60.3	-43.5	176.3	-74.7	84.5	0	0	0	111.7	N453 F454 K459 L460 T461	N453-H457 PolarHBondContact O-N 2.91Å; N453-H457 PolarHBondContact O-ND1 3.33Å; F454-H457 PolarHBondContact O-N 2.91Å; H457-K459 VanDerWaalsContact C-N 3.32Å; H457-K459 PolarHBondContact O-N 2.79Å; H457-L460 WeakPolarHBondContact O-CB 3.22Å; H457-L460 PolarHBondContact O-N 2.79Å; H457-L460 VanDerWaalsContact O-N 3.09Å; H457-T461 PolarHBondContact O-N 2.83Å; H457-T461 PolarHBondContact O-OG1 2.87Å
458	M	94	Very high	92.2	Very high	29 Å²	29	75 Å²	75	14%	0.143	38%	0.377	C	S	.	.	H	α-helix	trans	-60.5	-39.4	174.4	-70.4	-173.5	80.6	0	0	112.2	P445 W446 E449 F454 I455 F456 L460 T461 Y462	P445-M458 HydrophobicContact CB-CE 4.27Å; P445-M458 WeakPolarHBondContact O-CE 3.36Å; W446-M458 HydrophobicContact CB-CB 4.29Å; W446-M458 HydrophobicContact CB-CE 4.1Å; W446-M458 HydrophobicContact CB-SD 3.65Å; W446-M458 HydrophobicContact CE3-CB 4.06Å; E449-M458 HydrophobicContact CG-SD 3.94Å; F454-M458 HydrophobicContact CD1-CG 4.33Å; F454-M458 HydrophobicContact CD1-SD 3.86Å; F454-M458 HydrophobicContact CE1-CG 4.14Å; F454-M458 HydrophobicContact CE1-SD 3.5Å; F454-M458 WeakPolarHBondContact CE1-SD 3.24Å; F454-M458 HydrophobicContact CZ-CG 4.43Å; F454-M458 HydrophobicContact CZ-SD 4.21Å; F454-M458 WeakPolarHBondContact O-CG 3.37Å; F454-M458 PolarHBondContact O-N 3.08Å; I455-M458 PolarHBondContact O-N 2.73Å; F456-M458 PolarHBondContact O-N 3.21Å; M458-L460 VanDerWaalsContact C-N 3.28Å; M458-L460 PolarHBondContact O-N 3.24Å; M458-T461 PolarHBondContact O-N 2.65Å; M458-Y462 HydrophobicContact CB-CD2 4.36Å; M458-Y462 HydrophobicContact CE-CD2 4.41Å; M458-Y462 HydrophobicContact CE-CE2 3.78Å; M458-Y462 WeakPolarHBondContact O-CB 3.28Å; M458-Y462 WeakPolarHBondContact O-CD2 3.39Å; M458-Y462 PolarHBondContact O-N 2.68Å
459	K	94.4	Very high	92.5	Very high	6 Å²	6	70.4 Å²	70.4	3%	0.026	36%	0.364	C	S	.	.	H	α-helix	trans	-65.6	-26.7	175	-74.1	162.7	175.6	-81	0	113.5	V410 R411 A413 Y434 W446 I455 F456 H457	V410-K459 WeakPolarHBondContact O-CE 3.47Å; R411-K459 WeakPolarHBondContact O-CE 3.44Å; R411-K459 PolarHBondContact O-NZ 3.07Å; A413-K459 WeakPolarHBondContact O-CE 3.31Å; A413-K459 PolarHBondContact O-NZ 3.46Å; Y434-K459 VanDerWaalsContact CE2-NZ 3.33Å; W446-K459 HydrophobicContact CD2-CG 4.25Å; W446-K459 HydrophobicContact CE3-CG 4.29Å; W446-K459 HydrophobicContact CH2-CG 3.81Å; W446-K459 HydrophobicContact CZ2-CD 4.45Å; W446-K459 HydrophobicContact CZ2-CG 3.73Å; W446-K459 HydrophobicContact CZ3-CG 4.08Å; I455-K459 HydrophobicContact CG2-CD 3.93Å; I455-K459 VanDerWaalsContact CG2-CE 3.45Å; I455-K459 WeakPolarHBondContact O-CD 3.44Å; I455-K459 VanDerWaalsContact O-CG 3.28Å; I455-K459 WeakPolarHBondContact O-CG 3.17Å; I455-K459 PolarHBondContact O-N 2.73Å; F456-K459 WeakPolarHBondContact O-CB 3.43Å; F456-K459 PolarHBondContact O-N 3.34Å; F456-K459 VanDerWaalsContact O-N 3.14Å; H457-K459 VanDerWaalsContact C-N 3.32Å; H457-K459 PolarHBondContact O-N 2.79Å
460	L	91.9	Very high	92.6	Very high	89 Å²	89	72.5 Å²	72.5	47%	0.466	37%	0.372	S	S	.	.	H	α-helix	trans	-76.3	-37.7	172.1	-64.2	174.3	0	0	0	112.1	C415 F456 H457 M458	C415-L460 HydrophobicContact CB-CD2 4.48Å; F456-L460 HydrophobicContact CD1-CD1 4.33Å; F456-L460 HydrophobicContact CE1-CD1 3.83Å; F456-L460 HydrophobicContact CE2-CD1 4.29Å; F456-L460 HydrophobicContact CE2-CD2 4.35Å; F456-L460 HydrophobicContact CE2-CG 4.33Å; F456-L460 HydrophobicContact CZ-CD1 3.81Å; F456-L460 HydrophobicContact CZ-CD2 4.43Å; F456-L460 HydrophobicContact CZ-CG 4.33Å; F456-L460 PolarHBondContact O-N 2.85Å; F456-L460 VanDerWaalsContact O-N 3.1Å; H457-L460 WeakPolarHBondContact O-CB 3.22Å; H457-L460 PolarHBondContact O-N 2.79Å; H457-L460 VanDerWaalsContact O-N 3.09Å; M458-L460 VanDerWaalsContact C-N 3.28Å; M458-L460 PolarHBondContact O-N 3.24Å
461	T	92.9	Very high	92.9	Very high	109 Å²	109	68.8 Å²	68.8	67%	0.669	34%	0.344	S	S	*	.	H	α-helix	trans	-70.6	-51.3	176.8	-56.1	0	0	0	0	112.1	H457 M458 R463	H457-T461 PolarHBondContact O-N 2.83Å; H457-T461 PolarHBondContact O-OG1 2.87Å; M458-T461 PolarHBondContact O-N 2.65Å; T461-R463 VanDerWaalsContact C-N 3.32Å; T461-R463 PolarHBondContact O-N 2.95Å
462	Y	92	Very high	93	Very high	105 Å²	105	66.2 Å²	66.2	41%	0.412	34%	0.336	S	S	.	.	S	Bend	trans	-82.2	75.1	179.9	-72.2	-83.2	0	0	0	110.7	P445 W446 M458 M467	P445-Y462 HydrophobicContact CB-CD1 4.04Å; P445-Y462 HydrophobicContact CB-CD2 3.82Å; P445-Y462 HydrophobicContact CB-CE1 3.9Å; P445-Y462 HydrophobicContact CB-CE2 3.68Å; P445-Y462 HydrophobicContact CB-CG 4Å; P445-Y462 HydrophobicContact CG-CD1 3.74Å; P445-Y462 HydrophobicContact CG-CD2 4.24Å; P445-Y462 HydrophobicContact CG-CE1 3.95Å; P445-Y462 HydrophobicContact CG-CE2 4.44Å; P445-Y462 HydrophobicContact CG-CG 3.9Å; W446-Y462 HydrophobicContact CZ3-CG 4.48Å; M458-Y462 HydrophobicContact CB-CD2 4.36Å; M458-Y462 HydrophobicContact CE-CD2 4.41Å; M458-Y462 HydrophobicContact CE-CE2 3.78Å; M458-Y462 WeakPolarHBondContact O-CB 3.28Å; M458-Y462 WeakPolarHBondContact O-CD2 3.39Å; M458-Y462 PolarHBondContact O-N 2.68Å; Y462-M467 VanDerWaalsContact O-SD 3.37Å
463	R	91	Very high	93.1	Very high	181 Å²	181	66.8 Å²	66.8	68%	0.683	34%	0.342	S	S	*	.			trans	-58.1	140.4	179.3	-65.4	-174.4	177.6	-167.1	0.2	112.1	T461 E465 T466 M467	T461-R463 VanDerWaalsContact C-N 3.32Å; T461-R463 PolarHBondContact O-N 2.95Å; R463-E465 VanDerWaalsContact C-N 3.35Å; R463-E465 PolarHBondContact O-N 3.25Å; R463-T466 WeakPolarHBondContact O-CB 3.49Å; R463-T466 PolarHBondContact O-N 3.04Å; R463-M467 PolarHBondContact O-N 2.88Å
464	L	93	Very high	93.3	Very high	23 Å²	23	62.4 Å²	62.4	12%	0.12	32%	0.319	C	S	.	.	H	α-helix	trans	-50.7	-48.4	-178.5	-69	166.7	0	0	0	112.7	I430 F433 Y434 T466 M467 G468 A479	I430-L464 HydrophobicContact CD1-CD1 4.49Å; I430-L464 HydrophobicContact CG1-CD1 4.03Å; F433-L464 HydrophobicContact CD1-CD2 3.34Å; F433-L464 HydrophobicContact CE1-CD2 3.71Å; F433-L464 HydrophobicContact CG-CD2 4.22Å; Y434-L464 HydrophobicContact CD1-CD2 4.36Å; Y434-L464 HydrophobicContact CE1-CD2 3.67Å; L464-T466 VanDerWaalsContact C-N 3.31Å; L464-T466 PolarHBondContact O-N 3.22Å; L464-M467 PolarHBondContact O-N 3.08Å; L464-G468 PolarHBondContact O-N 2.98Å; L464-A479 HydrophobicContact CB-CB 4.41Å; L464-A479 VanDerWaalsContact O-CB 3.3Å; L464-A479 WeakPolarHBondContact O-CB 3.01Å
465	E	92.1	Very high	93.5	Very high	90 Å²	90	57.6 Å²	57.6	42%	0.421	30%	0.298	S	S	.	.	H	α-helix	trans	-61	-37.4	179.8	-64.4	-165.9	135.8	0	0	113.1	R463 G468 A469 K480	R463-E465 VanDerWaalsContact C-N 3.35Å; R463-E465 PolarHBondContact O-N 3.25Å; E465-G468 PolarHBondContact O-N 3.09Å; E465-A469 VanDerWaalsContact O-CB 3.29Å; E465-A469 WeakPolarHBondContact O-CB 3.24Å; E465-A469 PolarHBondContact O-N 3.49Å; E465-K480 HydrophobicContact CG-CB 4.38Å; E465-K480 WeakPolarHBondContact OE1-CB 3.34Å; E465-K480 VanDerWaalsContact OE1-CG 3.26Å; E465-K480 WeakPolarHBondContact OE1-CG 3.4Å
466	T	93.4	Very high	93.7	Very high	100 Å²	100	63 Å²	63	61%	0.613	32%	0.321	S	S	*	.	H	α-helix	trans	-69.3	-42.1	176.7	-48.4	0	0	0	0	111	R463 L464 K470	R463-T466 WeakPolarHBondContact O-CB 3.49Å; R463-T466 PolarHBondContact O-N 3.04Å; L464-T466 VanDerWaalsContact C-N 3.31Å; L464-T466 PolarHBondContact O-N 3.22Å; T466-K470 PolarHBondContact O-N 3.1Å
467	M	95.3	Very high	93.8	Very high	6 Å²	6	64.8 Å²	64.8	3%	0.03	33%	0.331	C	S	.	.	H	α-helix	trans	-62.7	-42.9	173.1	-67.4	-177.8	72.9	0	0	111.6	F433 Y434 Y437 L444 P445 W446 Y462 R463 L464 K470	F433-M467 HydrophobicContact CE1-CB 3.84Å; F433-M467 HydrophobicContact CE1-SD 4.48Å; F433-M467 HydrophobicContact CZ-CB 3.89Å; Y434-M467 HydrophobicContact CD1-CE 4.17Å; Y434-M467 HydrophobicContact CD1-SD 4.4Å; Y434-M467 HydrophobicContact CE1-CE 4.29Å; Y434-M467 HydrophobicContact CE1-SD 3.95Å; Y437-M467 HydrophobicContact CD1-CE 3.91Å; Y437-M467 HydrophobicContact CD2-CB 3.88Å; Y437-M467 HydrophobicContact CD2-CE 3.51Å; Y437-M467 HydrophobicContact CE1-CE 4.06Å; Y437-M467 HydrophobicContact CE2-CB 3.72Å; Y437-M467 HydrophobicContact CE2-CE 3.67Å; Y437-M467 HydrophobicContact CE2-CG 4.2Å; Y437-M467 HydrophobicContact CG-CE 3.68Å; L444-M467 HydrophobicContact CD2-CE 3.76Å; P445-M467 HydrophobicContact CG-CE 4.17Å; W446-M467 HydrophobicContact CH2-CE 3.98Å; W446-M467 HydrophobicContact CH2-SD 4.02Å; W446-M467 HydrophobicContact CZ3-CE 4.35Å; W446-M467 HydrophobicContact CZ3-SD 4.26Å; Y462-M467 VanDerWaalsContact O-SD 3.37Å; R463-M467 PolarHBondContact O-N 2.88Å; L464-M467 PolarHBondContact O-N 3.08Å; M467-K470 WeakPolarHBondContact O-CB 3.49Å; M467-K470 PolarHBondContact O-N 2.92Å
468	G	94	Very high	93.8	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-66.5	-41.1	179.1	0	0	0	0	0	112.3	L464 E465 K470 L471 G472 K476	L464-G468 PolarHBondContact O-N 2.98Å; E465-G468 PolarHBondContact O-N 3.09Å; G468-K470 PolarHBondContact O-N 3.2Å; G468-L471 PolarHBondContact O-N 2.97Å; G468-G472 PolarHBondContact O-N 2.82Å; G468-K476 PolarHBondContact O-N 3.12Å
469	A	93.7	Very high	94	Very high	52 Å²	52	58.1 Å²	58.1	43%	0.43	30%	0.3	S	S	.	.	H	α-helix	trans	-61.5	-28.4	175.3	0	0	0	0	0	113.7	E465 L471 K476	E465-A469 VanDerWaalsContact O-CB 3.29Å; E465-A469 WeakPolarHBondContact O-CB 3.24Å; E465-A469 PolarHBondContact O-N 3.49Å; A469-L471 VanDerWaalsContact C-N 3.31Å; A469-K476 HydrophobicContact CB-CD 3.97Å; A469-K476 HydrophobicContact CB-CG 4.15Å
470	K	93.5	Very high	94.1	Very high	127 Å²	127	64 Å²	64	55%	0.552	33%	0.326	S	S	*	.	H	α-helix	trans	-67.1	-30.6	172.7	-162.7	-151.4	177.6	-164	0	112.5	Y437 D441 T466 M467 G468	Y437-K470 VanDerWaalsContact OH-CD 3.26Å; Y437-K470 WeakPolarHBondContact OH-CD 3.44Å; D441-K470 IonicContact OD1-NZ 3.92Å; D441-K470 PolarHBondContact OD1-NZ 3.46Å; D441-K470 IonicContact OD2-NZ 3.15Å; D441-K470 PolarHBondContact OD2-NZ 3.29Å; T466-K470 PolarHBondContact O-N 3.1Å; M467-K470 WeakPolarHBondContact O-CB 3.49Å; M467-K470 PolarHBondContact O-N 2.92Å; G468-K470 PolarHBondContact O-N 3.2Å
471	L	92.6	Very high	94.3	Very high	31 Å²	31	61.9 Å²	61.9	16%	0.162	31%	0.313	C	S	.	.	H	α-helix	trans	-96	-14.8	-170.8	-65.2	-178.8	0	0	0	115	Y437 M440 D441 G468 A469 M475	Y437-L471 HydrophobicContact CD2-CD1 3.4Å; Y437-L471 HydrophobicContact CD2-CD2 4.48Å; Y437-L471 HydrophobicContact CD2-CG 4Å; Y437-L471 HydrophobicContact CE2-CD1 3.97Å; Y437-L471 HydrophobicContact CE2-CD2 4.34Å; Y437-L471 HydrophobicContact CE2-CG 4.04Å; Y437-L471 HydrophobicContact CG-CD1 3.97Å; M440-L471 HydrophobicContact CB-CD2 4.06Å; M440-L471 HydrophobicContact CE-CB 4.05Å; M440-L471 HydrophobicContact CE-CD2 4.31Å; M440-L471 HydrophobicContact SD-CB 4.38Å; M440-L471 HydrophobicContact SD-CD1 3.96Å; D441-L471 HydrophobicContact CB-CD2 4.38Å; G468-L471 PolarHBondContact O-N 2.97Å; A469-L471 VanDerWaalsContact C-N 3.31Å; L471-M475 HydrophobicContact CB-CB 3.7Å; L471-M475 HydrophobicContact CB-CG 3.85Å; L471-M475 HydrophobicContact CD1-CE 3.71Å; L471-M475 HydrophobicContact CD1-CG 4.43Å
472	G	93.2	Very high	94.4	Very high	26 Å²	26	56.7 Å²	56.7	27%	0.268	28%	0.281	S	S	.	.			trans	141.4	173.6	178.6	0	0	0	0	0	113.6	G468 K476	G468-G472 PolarHBondContact O-N 2.82Å; G472-K476 WeakPolarHBondContact O-CB 3.17Å; G472-K476 PolarHBondContact O-N 3.16Å
473	S	93.9	Very high	94.5	Very high	71 Å²	71	54.4 Å²	54.4	50%	0.497	28%	0.281	S	S	.	.	H	α-helix	trans	-67.3	-39	-178.4	72.9	0	0	0	0	111.6	K476 I477	S473-K476 WeakPolarHBondContact O-CB 3.47Å; S473-K476 PolarHBondContact O-N 2.63Å; S473-I477 WeakPolarHBondContact O-CG1 3.42Å; S473-I477 PolarHBondContact O-N 2.7Å
474	Q	95.5	Very high	94.7	Very high	15 Å²	15	49.5 Å²	49.5	7%	0.07	27%	0.274	C	S	.	.	H	α-helix	trans	-67.5	-44.8	179.7	-55.7	82.5	0.8	0	0	110.7	K476 I477 L478 Q499 N502 M503 E506	Q474-K476 VanDerWaalsContact C-N 3.32Å; Q474-K476 PolarHBondContact O-N 3.43Å; Q474-I477 PolarHBondContact O-N 2.73Å; Q474-L478 WeakPolarHBondContact O-CB 3.15Å; Q474-L478 PolarHBondContact O-N 3.43Å; Q474-Q499 HydrophobicContact CB-CB 4.03Å; Q474-Q499 HydrophobicContact CB-CG 4.39Å; Q474-N502 HydrophobicContact CG-CB 4.22Å; Q474-M503 HydrophobicContact CB-CG 3.68Å; Q474-M503 HydrophobicContact CB-SD 3.89Å; Q474-M503 HydrophobicContact CG-CG 3.87Å; Q474-E506 PolarHBondContact NE2-OE1 2.78Å; Q474-E506 PolarHBondContact NE2-OE2 2.91Å
475	M	96.2	Very high	94.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-67.8	-29.6	174.6	-71.7	-61.3	-77.1	0	0	112.6	F433 L436 M440 L471 L478 A479 M503	F433-M475 HydrophobicContact CD2-CE 3.92Å; F433-M475 HydrophobicContact CE2-CE 3.71Å; L436-M475 HydrophobicContact CB-CE 3.82Å; L436-M475 HydrophobicContact CD1-CE 4.16Å; L436-M475 HydrophobicContact CD1-SD 4.28Å; M440-M475 HydrophobicContact CE-CG 4.37Å; M440-M475 HydrophobicContact SD-CE 4.03Å; M440-M475 HydrophobicContact SD-CG 4.05Å; M440-M475 HydrophobicContact SD-SD 4.26Å; L471-M475 HydrophobicContact CB-CB 3.7Å; L471-M475 HydrophobicContact CB-CG 3.85Å; L471-M475 HydrophobicContact CD1-CE 3.71Å; L471-M475 HydrophobicContact CD1-CG 4.43Å; M475-L478 HydrophobicContact SD-CD1 3.87Å; M475-A479 WeakPolarHBondContact O-CB 3.34Å; M475-A479 PolarHBondContact O-N 2.71Å; M475-M503 HydrophobicContact CG-CE 3.89Å; M475-M503 HydrophobicContact CG-SD 3.87Å; M475-M503 HydrophobicContact SD-CE 4.22Å; M475-M503 HydrophobicContact SD-SD 4.03Å
476	K	96.6	Very high	94.7	Very high	118 Å²	118	48.5 Å²	48.5	51%	0.513	27%	0.272	S	S	.	.	H	α-helix	trans	-67.7	-42.8	170.1	-171.4	-178.6	179.2	179.9	0	112.3	G468 A469 G472 S473 Q474 A479 K480	G468-K476 PolarHBondContact O-N 3.12Å; A469-K476 HydrophobicContact CB-CD 3.97Å; A469-K476 HydrophobicContact CB-CG 4.15Å; G472-K476 WeakPolarHBondContact O-CB 3.17Å; G472-K476 PolarHBondContact O-N 3.16Å; S473-K476 WeakPolarHBondContact O-CB 3.47Å; S473-K476 PolarHBondContact O-N 2.63Å; Q474-K476 VanDerWaalsContact C-N 3.32Å; Q474-K476 PolarHBondContact O-N 3.43Å; K476-A479 PolarHBondContact O-N 3.1Å; K476-K480 WeakPolarHBondContact O-CB 3.35Å; K476-K480 PolarHBondContact O-N 2.83Å
477	I	96.4	Very high	94.5	Very high	71 Å²	71	45.3 Å²	45.3	36%	0.364	25%	0.249	S	C	.	.	H	α-helix	trans	-62.3	-47.3	175.4	-69.9	161.4	0	0	0	110.3	S473 Q474 K480 H481 L495 Q499	S473-I477 WeakPolarHBondContact O-CG1 3.42Å; S473-I477 PolarHBondContact O-N 2.7Å; Q474-I477 PolarHBondContact O-N 2.73Å; I477-K480 PolarHBondContact O-N 2.82Å; I477-H481 PolarHBondContact O-N 2.88Å; I477-L495 HydrophobicContact CG2-CD1 4.02Å; I477-L495 HydrophobicContact CG2-CD2 4.4Å; I477-L495 HydrophobicContact CG2-CG 4.37Å; I477-Q499 HydrophobicContact CB-CG 4.15Å; I477-Q499 HydrophobicContact CG2-CG 3.8Å
478	L	95.3	Very high	94.2	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-57.6	-52.6	175.6	-168.3	174.8	0	0	0	110.8	F433 L436 Q474 M475 K480 H481 V482 I496	F433-L478 HydrophobicContact CB-CD2 4.4Å; F433-L478 HydrophobicContact CD2-CD2 3.87Å; L436-L478 HydrophobicContact CD1-CD1 4.06Å; Q474-L478 WeakPolarHBondContact O-CB 3.15Å; Q474-L478 PolarHBondContact O-N 3.43Å; M475-L478 HydrophobicContact SD-CD1 3.87Å; L478-K480 VanDerWaalsContact C-N 3.34Å; L478-K480 PolarHBondContact O-N 3.17Å; L478-H481 PolarHBondContact O-N 2.79Å; L478-V482 HydrophobicContact CD2-CB 4.43Å; L478-V482 HydrophobicContact CD2-CG2 3.71Å; L478-V482 WeakPolarHBondContact O-CB 3.47Å; L478-V482 PolarHBondContact O-N 3.12Å; L478-I496 HydrophobicContact CD1-CG2 3.73Å; L478-I496 HydrophobicContact CG-CG1 4.38Å; L478-I496 HydrophobicContact CG-CG2 3.83Å
479	A	96.3	Very high	94.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-59.1	-43	-179.4	0	0	0	0	0	112.7	F433 L464 M475 K476 V482 S483	F433-A479 HydrophobicContact CD2-CB 4.32Å; F433-A479 HydrophobicContact CE2-CB 3.76Å; F433-A479 HydrophobicContact CZ-CB 4.01Å; L464-A479 HydrophobicContact CB-CB 4.41Å; L464-A479 VanDerWaalsContact O-CB 3.3Å; L464-A479 WeakPolarHBondContact O-CB 3.01Å; M475-A479 WeakPolarHBondContact O-CB 3.34Å; M475-A479 PolarHBondContact O-N 2.71Å; K476-A479 PolarHBondContact O-N 3.1Å; A479-V482 PolarHBondContact O-N 3.12Å; A479-S483 VanDerWaalsContact O-CB 3.26Å; A479-S483 WeakPolarHBondContact O-CB 3.21Å; A479-S483 PolarHBondContact O-N 2.84Å; A479-S483 PolarHBondContact O-OG 3.26Å
480	K	96.5	Very high	94	Very high	130 Å²	130	51.6 Å²	51.6	57%	0.565	28%	0.279	S	S	*	.	H	α-helix	trans	-58.6	-52.6	174.7	177	166.5	-175.6	-179.6	0	111.1	E465 K476 I477 L478 V482 S483 S484	E465-K480 HydrophobicContact CG-CB 4.38Å; E465-K480 WeakPolarHBondContact OE1-CB 3.34Å; E465-K480 VanDerWaalsContact OE1-CG 3.26Å; E465-K480 WeakPolarHBondContact OE1-CG 3.4Å; K476-K480 WeakPolarHBondContact O-CB 3.35Å; K476-K480 PolarHBondContact O-N 2.83Å; I477-K480 PolarHBondContact O-N 2.82Å; L478-K480 VanDerWaalsContact C-N 3.34Å; L478-K480 PolarHBondContact O-N 3.17Å; K480-V482 PolarHBondContact O-N 2.83Å; K480-S483 PolarHBondContact O-N 2.66Å; K480-S483 PolarHBondContact O-OG 2.88Å; K480-S484 PolarHBondContact O-N 3.24Å
481	H	96.7	Very high	94	Very high	43 Å²	43	45.9 Å²	45.9	20%	0.199	25%	0.254	C	S	.	.	H	α-helix	trans	-59.9	-46.1	179.8	176.5	49.1	0	0	0	112.3	I477 L478 S483 S484 L485 N492 L495	I477-H481 PolarHBondContact O-N 2.88Å; L478-H481 PolarHBondContact O-N 2.79Å; H481-S483 VanDerWaalsContact C-N 3.31Å; H481-S483 PolarHBondContact O-N 2.96Å; H481-S484 PolarHBondContact CE1-OG 2.98Å; H481-S484 PolarHBondContact O-N 3.47Å; H481-S484 PolarHBondContact O-OG 2.96Å; H481-L485 WeakPolarHBondContact NE2-CD2 3.44Å; H481-L485 WeakPolarHBondContact O-CG 2.86Å; H481-N492 PolarHBondContact NE2-N 3.38Å; H481-L495 HydrophobicContact CB-CD2 4.06Å
482	V	95.6	Very high	94.2	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-65.7	-34.6	179.5	166.8	0	0	0	0	112.1	L429 I430 L478 A479 K480 S484 L485 I496	L429-V482 HydrophobicContact CB-CG1 4.07Å; L429-V482 HydrophobicContact CB-CG2 3.86Å; I430-V482 HydrophobicContact CB-CG1 4.29Å; I430-V482 HydrophobicContact CG1-CG1 3.58Å; L478-V482 HydrophobicContact CD2-CB 4.43Å; L478-V482 HydrophobicContact CD2-CG2 3.71Å; L478-V482 WeakPolarHBondContact O-CB 3.47Å; L478-V482 PolarHBondContact O-N 3.12Å; A479-V482 PolarHBondContact O-N 3.12Å; K480-V482 PolarHBondContact O-N 2.83Å; V482-S484 VanDerWaalsContact C-N 3.28Å; V482-S484 PolarHBondContact O-N 2.88Å; V482-L485 PolarHBondContact O-N 3.48Å; V482-I496 HydrophobicContact CG2-CD1 4.24Å
483	S	93.8	Very high	94.3	Very high	57 Å²	57	47.8 Å²	47.8	40%	0.399	26%	0.257	S	S	.	.	H	α-helix	trans	-69.5	-20.6	176.9	75.8	0	0	0	0	114.3	A479 K480 H481 L485	A479-S483 VanDerWaalsContact O-CB 3.26Å; A479-S483 WeakPolarHBondContact O-CB 3.21Å; A479-S483 PolarHBondContact O-N 2.84Å; A479-S483 PolarHBondContact O-OG 3.26Å; K480-S483 PolarHBondContact O-N 2.66Å; K480-S483 PolarHBondContact O-OG 2.88Å; H481-S483 VanDerWaalsContact C-N 3.31Å; H481-S483 PolarHBondContact O-N 2.96Å; S483-L485 VanDerWaalsContact C-N 3.34Å
484	S	95	Very high	94.4	Very high	78 Å²	78	50.6 Å²	50.6	55%	0.545	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	5	177.8	70.3	0	0	0	0	114.2	K480 H481 V482	K480-S484 PolarHBondContact O-N 3.24Å; H481-S484 PolarHBondContact CE1-OG 2.98Å; H481-S484 PolarHBondContact O-N 3.47Å; H481-S484 PolarHBondContact O-OG 2.96Å; V482-S484 VanDerWaalsContact C-N 3.28Å; V482-S484 PolarHBondContact O-N 2.88Å
485	L	94.4	Very high	94.4	Very high	11 Å²	11	51.9 Å²	51.9	6%	0.058	27%	0.27	C	S	.	.			trans	-88.9	114.3	-175.6	-60.6	173.2	0	0	0	112.4	K416 L429 H481 V482 S483 P491	K416-L485 PolarHBondContact NZ-O 3.48Å; L429-L485 HydrophobicContact CB-CD1 4.48Å; L429-L485 HydrophobicContact CD1-CD1 3.89Å; H481-L485 WeakPolarHBondContact NE2-CD2 3.44Å; H481-L485 WeakPolarHBondContact O-CG 2.86Å; V482-L485 PolarHBondContact O-N 3.48Å; S483-L485 VanDerWaalsContact C-N 3.34Å; L485-P491 HydrophobicContact CD1-CB 4.06Å; L485-P491 HydrophobicContact CD1-CG 4.09Å; L485-P491 HydrophobicContact CD2-CB 4.42Å; L485-P491 HydrophobicContact CD2-CG 4.49Å
486	D	91.3	Very high	94.4	Very high	81 Å²	81	51.9 Å²	51.9	43%	0.433	27%	0.27	S	S	.	.			trans	-77.9	-168	168.5	71.6	18.1	0	0	0	112.1	S488 S489	D486-S488 WeakPolarHBondContact OD1-CA 3.23Å; D486-S488 PolarHBondContact OD1-N 3.41Å; D486-S488 PolarHBondContact OD1-OG 2.84Å; D486-S488 PolarHBondContact OD2-OG 2.72Å; D486-S489 PolarHBondContact N-OG 3.38Å; D486-S489 WeakPolarHBondContact OD1-CB 3.29Å; D486-S489 PolarHBondContact OD1-N 3.01Å; D486-S489 PolarHBondContact OD1-OG 3.06Å
487	F	89.7	Confident	94.4	Very high	33 Å²	33	47.2 Å²	47.2	15%	0.145	25%	0.25	C	S	.	.	S	Bend	trans	-66.6	-37.2	179.2	179.3	-89.6	0	0	0	112.6	N400 D422	N400-F487 HydrophobicContact CB-CD1 4Å; N400-F487 HydrophobicContact CB-CD2 4.16Å; N400-F487 HydrophobicContact CB-CE1 3.87Å; N400-F487 HydrophobicContact CB-CE2 4.03Å; N400-F487 HydrophobicContact CB-CG 4.14Å; N400-F487 HydrophobicContact CB-CZ 3.88Å; D422-F487 HydrophobicContact CB-CE2 4.15Å; D422-F487 WeakPolarHBondContact O-CD2 3.28Å; D422-F487 WeakPolarHBondContact O-CE2 3.38Å
488	S	88.5	Confident	94.4	Very high	51 Å²	51	48.6 Å²	48.6	36%	0.357	26%	0.255	S	S	.	.	S	Bend	trans	-86.4	-30.4	-173.7	23.8	0	0	0	0	114	M397 R425 D486 E490	M397-S488 WeakPolarHBondContact CE-O 3.48Å; M397-S488 WeakPolarHBondContact SD-CA 3.35Å; M397-S488 VanDerWaalsContact SD-CB 3.51Å; R425-S488 PolarHBondContact NH2-O 2.82Å; D486-S488 WeakPolarHBondContact OD1-CA 3.23Å; D486-S488 PolarHBondContact OD1-N 3.41Å; D486-S488 PolarHBondContact OD1-OG 2.84Å; D486-S488 PolarHBondContact OD2-OG 2.72Å; S488-E490 PolarHBondContact O-N 3.25Å
489	S	91.6	Very high	94.5	Very high	28 Å²	28	49.2 Å²	49.2	20%	0.196	26%	0.258	C	S	.	.			trans	-46.4	135.2	-168.9	-66.6	0	0	0	0	113.3	R425 D486 P491	R425-S489 PolarHBondContact NE-O 3.23Å; R425-S489 PolarHBondContact NH2-O 2.94Å; R425-S489 VanDerWaalsContact NH2-O 3.15Å; D486-S489 PolarHBondContact N-OG 3.38Å; D486-S489 WeakPolarHBondContact OD1-CB 3.29Å; D486-S489 PolarHBondContact OD1-N 3.01Å; D486-S489 PolarHBondContact OD1-OG 3.06Å; S489-P491 WeakPolarHBondContact O-CD 3.2Å
490	E	91.4	Very high	94.5	Very high	112 Å²	112	49.3 Å²	49.3	52%	0.523	26%	0.258	S	S	.	.			trans	-84.8	112.6	168.5	-164.9	100.9	-178.4	0	0	107.6	R391 R425 S488	R391-E490 IonicContact CZ-OE2 3.39Å; R391-E490 IonicContact NH1-OE1 3.55Å; R391-E490 IonicContact NH1-OE2 2.7Å; R391-E490 IonicContact NH2-OE1 3.03Å; R391-E490 IonicContact NH2-OE2 3.73Å; R391-E490 PolarHBondContact NH2-OE2 2.94Å; R425-E490 IonicContact CZ-OE2 3.85Å; R425-E490 IonicContact NH1-OE1 2.76Å; R425-E490 IonicContact NH1-OE2 2.78Å; R425-E490 PolarHBondContact NH1-OE2 2.65Å; R425-E490 VanDerWaalsContact NH2-CA 3.26Å; R425-E490 IonicContact NH2-OE2 3.8Å; R425-E490 PolarHBondContact NH2-OE2 3.41Å; S488-E490 PolarHBondContact O-N 3.25Å
491	P	94.5	Very high	94.4	Very high	7 Å²	7	45.2 Å²	45.2	5%	0.045	25%	0.245	C	C	.	.			trans	-69.3	141.7	179.5	-19.2	33.7	0	0	0	111.3	R425 L429 L485 S489 Y493	R425-P491 HydrophobicContact CB-CG 3.84Å; L429-P491 HydrophobicContact CD1-CB 3.31Å; L429-P491 HydrophobicContact CD1-CG 3.58Å; L485-P491 HydrophobicContact CD1-CB 4.06Å; L485-P491 HydrophobicContact CD1-CG 4.09Å; L485-P491 HydrophobicContact CD2-CB 4.42Å; L485-P491 HydrophobicContact CD2-CG 4.49Å; S489-P491 WeakPolarHBondContact O-CD 3.2Å; P491-Y493 VanDerWaalsContact C-N 3.27Å; P491-Y493 HydrophobicContact CB-CD2 4.27Å; P491-Y493 HydrophobicContact CB-CE1 4.28Å; P491-Y493 HydrophobicContact CB-CE2 3.85Å; P491-Y493 HydrophobicContact CG-CE2 4.03Å; P491-Y493 WeakPolarHBondContact O-CD2 3.25Å; P491-Y493 WeakPolarHBondContact O-CE2 3.49Å; P491-Y493 PolarHBondContact O-N 2.87Å
492	N	95.9	Very high	94.4	Very high	78 Å²	78	46 Å²	46	42%	0.417	25%	0.25	S	S	.	.			trans	-81.7	79.1	171.2	-171.6	-16.1	0	0	0	108.7	H481 E494 L495 I496	H481-N492 PolarHBondContact NE2-N 3.38Å; N492-E494 PolarHBondContact O-N 3.17Å; N492-E494 PolarHBondContact OD1-N 3.14Å; N492-L495 HydrophobicContact CB-CB 4.07Å; N492-L495 VanDerWaalsContact CG-CB 3.49Å; N492-L495 PolarHBondContact O-N 3.2Å; N492-L495 PolarHBondContact OD1-N 3.25Å; N492-I496 PolarHBondContact O-N 2.81Å
493	Y	95.7	Very high	94.4	Very high	18 Å²	18	46.4 Å²	46.4	7%	0.071	25%	0.252	C	S	.	.	H	α-helix	trans	-57.8	-35.5	177.7	-60	-87.7	0	0	0	111.8	L347 Q351 H354 L429 P491 I496 L497	L347-Y493 HydrophobicContact CD1-CD1 3.97Å; L347-Y493 HydrophobicContact CD1-CE1 4.49Å; L347-Y493 HydrophobicContact CG-CD1 4.49Å; Q351-Y493 HydrophobicContact CB-CD1 3.72Å; Q351-Y493 HydrophobicContact CB-CE1 4.05Å; Q351-Y493 HydrophobicContact CB-CG 4.1Å; Q351-Y493 HydrophobicContact CG-CD1 3.88Å; Q351-Y493 HydrophobicContact CG-CD2 4.02Å; Q351-Y493 HydrophobicContact CG-CE1 4.34Å; Q351-Y493 HydrophobicContact CG-CE2 4.46Å; Q351-Y493 HydrophobicContact CG-CG 3.73Å; H354-Y493 WeakPolarHBondContact CB-OH 3.21Å; H354-Y493 PolarHBondContact ND1-OH 3.33Å; H354-Y493 VanDerWaalsContact ND1-OH 3.14Å; L429-Y493 HydrophobicContact CD1-CE1 4.26Å; L429-Y493 HydrophobicContact CD2-CE1 4.38Å; P491-Y493 VanDerWaalsContact C-N 3.27Å; P491-Y493 HydrophobicContact CB-CD2 4.27Å; P491-Y493 HydrophobicContact CB-CE1 4.28Å; P491-Y493 HydrophobicContact CB-CE2 3.85Å; P491-Y493 HydrophobicContact CG-CE2 4.03Å; P491-Y493 WeakPolarHBondContact O-CD2 3.25Å; P491-Y493 WeakPolarHBondContact O-CE2 3.49Å; P491-Y493 PolarHBondContact O-N 2.87Å; Y493-I496 PolarHBondContact O-N 2.91Å; Y493-I496 VanDerWaalsContact O-N 3.13Å; Y493-L497 WeakPolarHBondContact O-CG 3.22Å; Y493-L497 PolarHBondContact O-N 3.12Å
494	E	94.8	Very high	94.5	Very high	130 Å²	130	44 Å²	44	61%	0.607	24%	0.235	S	C	*	.	H	α-helix	trans	-61.6	-45.4	178.9	-170	57.9	-144.6	0	0	111.9	N492 I496 L497 Q498	N492-E494 PolarHBondContact O-N 3.17Å; N492-E494 PolarHBondContact OD1-N 3.14Å; E494-I496 VanDerWaalsContact C-N 3.25Å; E494-I496 PolarHBondContact O-N 2.78Å; E494-L497 PolarHBondContact O-N 2.88Å; E494-Q498 VanDerWaalsContact O-CB 3.3Å; E494-Q498 WeakPolarHBondContact O-CB 3.39Å; E494-Q498 PolarHBondContact O-N 2.83Å
495	L	96.7	Very high	94.4	Very high	43 Å²	43	45.1 Å²	45.1	23%	0.225	24%	0.238	C	C	.	.	H	α-helix	trans	-56	-41.7	173.6	174.1	64.6	0	0	0	111.7	I477 H481 N492 Q499	I477-L495 HydrophobicContact CG2-CD1 4.02Å; I477-L495 HydrophobicContact CG2-CD2 4.4Å; I477-L495 HydrophobicContact CG2-CG 4.37Å; H481-L495 HydrophobicContact CB-CD2 4.06Å; N492-L495 HydrophobicContact CB-CB 4.07Å; N492-L495 VanDerWaalsContact CG-CB 3.49Å; N492-L495 PolarHBondContact O-N 3.2Å; N492-L495 PolarHBondContact OD1-N 3.25Å; L495-Q499 VanDerWaalsContact O-CG 3.3Å; L495-Q499 WeakPolarHBondContact O-CG 3.36Å; L495-Q499 PolarHBondContact O-N 2.96Å
496	I	96.7	Very high	94.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-71.7	-44.2	-180	-54.3	171.2	0	0	0	110.7	L347 L429 F432 L478 V482 N492 Y493 E494 Q498 Q499 L500	L347-I496 HydrophobicContact CD2-CB 3.67Å; L347-I496 HydrophobicContact CD2-CG2 3.39Å; L429-I496 HydrophobicContact CD1-CD1 4.14Å; F432-I496 HydrophobicContact CE1-CG2 4.27Å; L478-I496 HydrophobicContact CD1-CG2 3.73Å; L478-I496 HydrophobicContact CG-CG1 4.38Å; L478-I496 HydrophobicContact CG-CG2 3.83Å; V482-I496 HydrophobicContact CG2-CD1 4.24Å; N492-I496 PolarHBondContact O-N 2.81Å; Y493-I496 PolarHBondContact O-N 2.91Å; Y493-I496 VanDerWaalsContact O-N 3.13Å; E494-I496 VanDerWaalsContact C-N 3.25Å; E494-I496 PolarHBondContact O-N 2.78Å; I496-Q498 VanDerWaalsContact C-N 3.29Å; I496-Q498 PolarHBondContact O-N 2.68Å; I496-Q499 PolarHBondContact O-N 2.8Å; I496-L500 HydrophobicContact CG2-CD1 3.96Å; I496-L500 HydrophobicContact CG2-CG 4.44Å; I496-L500 VanDerWaalsContact O-CG 3.3Å; I496-L500 WeakPolarHBondContact O-CG 3.49Å; I496-L500 PolarHBondContact O-N 3.17Å
497	L	95.5	Very high	94.4	Very high	19 Å²	19	49.9 Å²	49.9	10%	0.099	26%	0.26	C	S	.	.	H	α-helix	trans	-60.5	-38.1	175.1	-72.2	170.3	0	0	0	111.9	K344 L347 Y493 E494 T501	K344-L497 HydrophobicContact CG-CD2 3.82Å; L347-L497 HydrophobicContact CB-CD2 4.42Å; L347-L497 HydrophobicContact CD2-CD2 3.84Å; L347-L497 HydrophobicContact CD2-CG 3.87Å; L347-L497 HydrophobicContact CG-CD2 4.34Å; Y493-L497 WeakPolarHBondContact O-CG 3.22Å; Y493-L497 PolarHBondContact O-N 3.12Å; E494-L497 PolarHBondContact O-N 2.88Å; L497-T501 WeakPolarHBondContact O-CB 3.27Å; L497-T501 PolarHBondContact O-N 2.86Å; L497-T501 PolarHBondContact O-OG1 2.86Å
498	Q	96	Very high	94.5	Very high	101 Å²	101	53.7 Å²	53.7	47%	0.472	29%	0.291	S	S	.	.	H	α-helix	trans	-65.1	-47.5	173.2	-170.4	-170.5	34.9	0	0	111.1	E494 I496 L500 T501 N502	E494-Q498 VanDerWaalsContact O-CB 3.3Å; E494-Q498 WeakPolarHBondContact O-CB 3.39Å; E494-Q498 PolarHBondContact O-N 2.83Å; I496-Q498 VanDerWaalsContact C-N 3.29Å; I496-Q498 PolarHBondContact O-N 2.68Å; Q498-L500 VanDerWaalsContact C-N 3.32Å; Q498-L500 PolarHBondContact O-N 3.24Å; Q498-T501 PolarHBondContact O-N 2.67Å; Q498-N502 WeakPolarHBondContact O-CB 3.48Å; Q498-N502 PolarHBondContact O-N 2.85Å; Q498-N502 PolarHBondContact O-OD1 2.72Å
499	Q	97.3	Very high	94.5	Very high	14 Å²	14	52.1 Å²	52.1	7%	0.065	28%	0.279	C	S	.	.	H	α-helix	trans	-60.6	-40.6	177.1	-73	-26.4	-74.8	0	0	112.3	Q474 I477 L495 I496 N502 M503	Q474-Q499 HydrophobicContact CB-CB 4.03Å; Q474-Q499 HydrophobicContact CB-CG 4.39Å; I477-Q499 HydrophobicContact CB-CG 4.15Å; I477-Q499 HydrophobicContact CG2-CG 3.8Å; L495-Q499 VanDerWaalsContact O-CG 3.3Å; L495-Q499 WeakPolarHBondContact O-CG 3.36Å; L495-Q499 PolarHBondContact O-N 2.96Å; I496-Q499 PolarHBondContact O-N 2.8Å; Q499-N502 PolarHBondContact O-N 2.77Å; Q499-M503 WeakPolarHBondContact O-CG 3.47Å; Q499-M503 PolarHBondContact O-N 2.91Å; Q499-M503 VanDerWaalsContact O-N 3.08Å
500	L	96.6	Very high	94.3	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-66.5	-42.3	174.4	-67.5	164.1	0	0	0	111.6	A340 L347 F432 L436 I496 Q498 N502 M503 M504	A340-L500 HydrophobicContact CB-CD2 4.3Å; A340-L500 WeakPolarHBondContact CB-O 3.28Å; L347-L500 HydrophobicContact CD2-CD1 3.98Å; F432-L500 HydrophobicContact CZ-CD1 4.21Å; L436-L500 HydrophobicContact CD1-CD2 3.96Å; I496-L500 HydrophobicContact CG2-CD1 3.96Å; I496-L500 HydrophobicContact CG2-CG 4.44Å; I496-L500 VanDerWaalsContact O-CG 3.3Å; I496-L500 WeakPolarHBondContact O-CG 3.49Å; I496-L500 PolarHBondContact O-N 3.17Å; Q498-L500 VanDerWaalsContact C-N 3.32Å; Q498-L500 PolarHBondContact O-N 3.24Å; L500-N502 PolarHBondContact O-N 3.32Å; L500-M503 WeakPolarHBondContact O-CB 3.11Å; L500-M503 PolarHBondContact O-N 2.77Å; L500-M504 WeakPolarHBondContact O-CG 3.25Å; L500-M504 PolarHBondContact O-N 3.32Å
501	T	95.3	Very high	93.8	Very high	45 Å²	45	54.5 Å²	54.5	28%	0.276	29%	0.292	S	S	.	.	H	α-helix	trans	-64.9	-39.8	177.3	-57.4	0	0	0	0	111.2	K344 L497 Q498 M503 M504 T505	K344-T501 PolarHBondContact NZ-OG1 3.23Å; L497-T501 WeakPolarHBondContact O-CB 3.27Å; L497-T501 PolarHBondContact O-N 2.86Å; L497-T501 PolarHBondContact O-OG1 2.86Å; Q498-T501 PolarHBondContact O-N 2.67Å; T501-M503 PolarHBondContact O-N 2.96Å; T501-M504 WeakPolarHBondContact O-CB 3.39Å; T501-M504 PolarHBondContact O-N 3.14Å; T501-M504 VanDerWaalsContact O-N 3.17Å; T501-T505 PolarHBondContact O-N 3.24Å; T501-T505 PolarHBondContact O-OG1 2.9Å; T501-T505 VanDerWaalsContact O-OG1 3.1Å
502	N	96	Very high	93.2	Very high	60 Å²	60	60.3 Å²	60.3	32%	0.321	32%	0.323	S	S	.	.	H	α-helix	trans	-58.8	-45.1	172.3	-67.2	-10.8	0	0	0	111.5	Q474 Q498 Q499 L500 M504 T505 E506	Q474-N502 HydrophobicContact CG-CB 4.22Å; Q498-N502 WeakPolarHBondContact O-CB 3.48Å; Q498-N502 PolarHBondContact O-N 2.85Å; Q498-N502 PolarHBondContact O-OD1 2.72Å; Q499-N502 PolarHBondContact O-N 2.77Å; L500-N502 PolarHBondContact O-N 3.32Å; N502-M504 VanDerWaalsContact C-N 3.33Å; N502-M504 PolarHBondContact O-N 2.9Å; N502-T505 PolarHBondContact O-N 3.38Å; N502-E506 WeakPolarHBondContact O-CG 3.17Å; N502-E506 PolarHBondContact O-N 2.92Å
503	M	95.9	Very high	92.7	Very high	7 Å²	7	58.4 Å²	58.4	3%	0.034	31%	0.314	C	S	.	.	H	α-helix	trans	-62.2	-37.4	175.4	-70.6	170.8	65.6	0	0	112.6	A340 M440 Q474 M475 Q499 L500 T501 N507	A340-M503 HydrophobicContact CB-CB 3.69Å; A340-M503 HydrophobicContact CB-CE 4.42Å; M440-M503 HydrophobicContact CE-CE 3.67Å; M440-M503 HydrophobicContact SD-CE 3.85Å; Q474-M503 HydrophobicContact CB-CG 3.68Å; Q474-M503 HydrophobicContact CB-SD 3.89Å; Q474-M503 HydrophobicContact CG-CG 3.87Å; M475-M503 HydrophobicContact CG-CE 3.89Å; M475-M503 HydrophobicContact CG-SD 3.87Å; M475-M503 HydrophobicContact SD-CE 4.22Å; M475-M503 HydrophobicContact SD-SD 4.03Å; Q499-M503 WeakPolarHBondContact O-CG 3.47Å; Q499-M503 PolarHBondContact O-N 2.91Å; Q499-M503 VanDerWaalsContact O-N 3.08Å; L500-M503 WeakPolarHBondContact O-CB 3.11Å; L500-M503 PolarHBondContact O-N 2.77Å; T501-M503 PolarHBondContact O-N 2.96Å; M503-N507 WeakPolarHBondContact O-CB 3.48Å; M503-N507 PolarHBondContact O-N 2.87Å; M503-N507 PolarHBondContact O-ND2 3.37Å
504	M	95.4	Very high	92.1	Very high	7 Å²	7	61.4 Å²	61.4	3%	0.034	34%	0.336	C	S	.	.	H	α-helix	trans	-62.5	-47.4	172.9	-69.4	175	63.8	0	0	111.2	A340 M341 K344 L500 T501 N502 N507 S508 V509 E511	A340-M504 HydrophobicContact CB-CG 3.68Å; M341-M504 HydrophobicContact CB-CE 3.91Å; M341-M504 HydrophobicContact CB-CG 4.4Å; M341-M504 HydrophobicContact CB-SD 4.03Å; M341-M504 HydrophobicContact CG-CE 3.96Å; M341-M504 HydrophobicContact SD-CE 4.09Å; K344-M504 HydrophobicContact CD-SD 4.15Å; L500-M504 WeakPolarHBondContact O-CG 3.25Å; L500-M504 PolarHBondContact O-N 3.32Å; T501-M504 WeakPolarHBondContact O-CB 3.39Å; T501-M504 PolarHBondContact O-N 3.14Å; T501-M504 VanDerWaalsContact O-N 3.17Å; N502-M504 VanDerWaalsContact C-N 3.33Å; N502-M504 PolarHBondContact O-N 2.9Å; M504-N507 CarbonylContact O-C 3.55Å; M504-N507 PolarHBondContact O-N 3.4Å; M504-S508 PolarHBondContact O-N 3.36Å; M504-S508 VanDerWaalsContact O-N 3.12Å; M504-V509 HydrophobicContact CE-CG1 4.29Å; M504-V509 PolarHBondContact O-N 3.26Å; M504-E511 HydrophobicContact CE-CG 3.92Å
505	T	93.3	Very high	91.6	Very high	101 Å²	101	55.4 Å²	55.4	62%	0.62	31%	0.308	S	S	*	.	H	α-helix	trans	-61.4	-46.2	178.3	-55.4	0	0	0	0	112.4	T501 N502 N507 S508	T501-T505 PolarHBondContact O-N 3.24Å; T501-T505 PolarHBondContact O-OG1 2.9Å; T501-T505 VanDerWaalsContact O-OG1 3.1Å; N502-T505 PolarHBondContact O-N 3.38Å; T505-N507 PolarHBondContact O-N 2.82Å; T505-S508 PolarHBondContact O-N 2.61Å; T505-S508 VanDerWaalsContact O-N 3.13Å
506	E	93.9	Very high	90.8	Very high	129 Å²	129	55.5 Å²	55.5	60%	0.603	32%	0.319	S	S	*	.	H	α-helix	trans	-63.7	-22.3	177.2	-74	176.8	-179	0	0	113.5	Q474 N502	Q474-E506 PolarHBondContact NE2-OE1 2.78Å; Q474-E506 PolarHBondContact NE2-OE2 2.91Å; N502-E506 WeakPolarHBondContact O-CG 3.17Å; N502-E506 PolarHBondContact O-N 2.92Å
507	N	92.6	Very high	89.9	Confident	63 Å²	63	55.6 Å²	55.6	34%	0.337	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	8	178	-75.3	-104.6	0	0	0	113.1	G337 M503 M504 T505 V509	G337-N507 PolarHBondContact N-OD1 3.18Å; M503-N507 WeakPolarHBondContact O-CB 3.48Å; M503-N507 PolarHBondContact O-N 2.87Å; M503-N507 PolarHBondContact O-ND2 3.37Å; M504-N507 CarbonylContact O-C 3.55Å; M504-N507 PolarHBondContact O-N 3.4Å; T505-N507 PolarHBondContact O-N 2.82Å; N507-V509 VanDerWaalsContact C-N 3.25Å; N507-V509 HydrophobicContact CB-CG2 4.35Å; N507-V509 PolarHBondContact O-N 2.84Å
508	S	91.2	Very high	89.1	Confident	114 Å²	114	56.7 Å²	56.7	80%	0.797	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	33.7	-176.9	-58.4	0	0	0	0	114.7	M504 T505	M504-S508 PolarHBondContact O-N 3.36Å; M504-S508 VanDerWaalsContact O-N 3.12Å; T505-S508 PolarHBondContact O-N 2.61Å; T505-S508 VanDerWaalsContact O-N 3.13Å
509	V	88.5	Confident	87.7	Confident	17 Å²	17	61 Å²	61	10%	0.103	34%	0.344	C	S	.	.			trans	-101.4	134.5	177	176.7	0	0	0	0	110.4	M341 M504 N507 T513	M341-V509 HydrophobicContact CB-CG1 4.34Å; M341-V509 HydrophobicContact CE-CG1 4.07Å; M341-V509 HydrophobicContact SD-CG1 3.87Å; M504-V509 HydrophobicContact CE-CG1 4.29Å; M504-V509 PolarHBondContact O-N 3.26Å; N507-V509 VanDerWaalsContact C-N 3.25Å; N507-V509 HydrophobicContact CB-CG2 4.35Å; N507-V509 PolarHBondContact O-N 2.84Å; V509-T513 HydrophobicContact CG1-CG2 4.25Å
510	T	87.6	Confident	86.2	Confident	80 Å²	80	65 Å²	65	49%	0.491	36%	0.364	S	S	.	.			trans	-114.4	163	174.5	63.9	0	0	0	0	110.8	D512 T513	T510-D512 PolarHBondContact O-N 2.94Å; T510-T513 PolarHBondContact N-OG1 3Å; T510-T513 WeakPolarHBondContact O-CB 3.21Å; T510-T513 PolarHBondContact O-N 2.97Å; T510-T513 PolarHBondContact O-OG1 2.6Å; T510-T513 PolarHBondContact OG1-N 3.29Å; T510-T513 PolarHBondContact OG1-OG1 3.42Å
511	E	79.9	Confident	84.5	Confident	110 Å²	110	66.1 Å²	66.1	51%	0.514	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-22.3	178.3	-64	-178.5	-174.1	0	0	113.4	K344 M504 T513	K344-E511 VanDerWaalsContact CE-OE1 3.32Å; K344-E511 WeakPolarHBondContact CE-OE1 3.45Å; K344-E511 IonicContact NZ-OE1 3.51Å; K344-E511 PolarHBondContact NZ-OE1 3.36Å; M504-E511 HydrophobicContact CE-CG 3.92Å; E511-T513 VanDerWaalsContact C-N 3.34Å
512	D	82.4	Confident	82.3	Confident	130 Å²	130	67.2 Å²	67.2	70%	0.695	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-4.9	172.5	-63.7	-64	0	0	0	114.4	R377 T510 P514	R377-D512 PolarHBondContact NH1-O 2.98Å; T510-D512 PolarHBondContact O-N 2.94Å; D512-P514 WeakPolarHBondContact O-CD 3.33Å
513	T	84.9	Confident	80	Confident	38 Å²	38	67.6 Å²	67.6	23%	0.233	39%	0.389	C	S	.	.	S	Bend	trans	-65.6	122.8	-178.4	-64	0	0	0	0	109.7	M341 V509 T510 E511 F515	M341-T513 WeakPolarHBondContact CE-O 3.49Å; V509-T513 HydrophobicContact CG1-CG2 4.25Å; T510-T513 PolarHBondContact N-OG1 3Å; T510-T513 WeakPolarHBondContact O-CB 3.21Å; T510-T513 PolarHBondContact O-N 2.97Å; T510-T513 PolarHBondContact O-OG1 2.6Å; T510-T513 PolarHBondContact OG1-N 3.29Å; T510-T513 PolarHBondContact OG1-OG1 3.42Å; E511-T513 VanDerWaalsContact C-N 3.34Å; T513-F515 PolarHBondContact O-N 2.85Å
514	P	83.5	Confident	77.5	Confident	81 Å²	81	70.5 Å²	70.5	53%	0.526	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-59.4	133.6	-178.9	-20.3	29.6	0	0	0	112	D512 E518	D512-P514 WeakPolarHBondContact O-CD 3.33Å; P514-E518 WeakPolarHBondContact CA-OE1 3.16Å
515	F	83.6	Confident	74.8	Confident	4 Å²	4	75 Å²	75	2%	0.018	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-73.5	132	167.3	-66.5	-78.4	0	0	0	109.4	V338 M341 I342 R377 I379 T513 W517 E518	V338-F515 HydrophobicContact CG1-CD1 4.12Å; V338-F515 HydrophobicContact CG1-CE1 4.35Å; M341-F515 HydrophobicContact CE-CD1 3.83Å; M341-F515 HydrophobicContact CE-CD2 4.5Å; M341-F515 HydrophobicContact CE-CE1 3.42Å; M341-F515 VanDerWaalsContact CE-CE1 3.42Å; M341-F515 HydrophobicContact CE-CE2 4.13Å; M341-F515 HydrophobicContact CE-CG 4.38Å; M341-F515 HydrophobicContact CE-CZ 3.6Å; M341-F515 HydrophobicContact CG-CE1 4.26Å; M341-F515 HydrophobicContact CG-CZ 3.99Å; M341-F515 HydrophobicContact SD-CZ 4.3Å; I342-F515 HydrophobicContact CG1-CE1 3.91Å; R377-F515 HydrophobicContact CB-CD2 4.25Å; R377-F515 HydrophobicContact CB-CE2 4.13Å; R377-F515 HydrophobicContact CG-CD2 4.24Å; R377-F515 WeakPolarHBondContact O-CE2 3.36Å; I379-F515 HydrophobicContact CD1-CZ 4.21Å; T513-F515 PolarHBondContact O-N 2.85Å; F515-W517 HydrophobicContact CB-CD2 3.63Å; F515-W517 VanDerWaalsContact CB-CE2 3.45Å; F515-W517 HydrophobicContact CB-CE3 3.94Å; F515-W517 HydrophobicContact CB-CG 4.17Å; F515-W517 HydrophobicContact CB-CH2 4.07Å; F515-W517 HydrophobicContact CB-CZ2 3.71Å; F515-W517 HydrophobicContact CB-CZ3 4.16Å; F515-W517 HydrophobicContact CD1-CE3 4.26Å; F515-W517 AromaticContact CD1-CH2 3.14Å; F515-W517 HydrophobicContact CD1-CH2 3.14Å; F515-W517 AromaticContact CD1-CZ2 3.4Å; F515-W517 HydrophobicContact CD1-CZ2 3.4Å; F515-W517 VanDerWaalsContact CD1-CZ2 3.4Å; F515-W517 AromaticContact CD1-CZ3 3.59Å; F515-W517 HydrophobicContact CD1-CZ3 3.59Å; F515-W517 HydrophobicContact CD2-CH2 4.4Å; F515-W517 AromaticContact CD2-CZ2 3.81Å; F515-W517 HydrophobicContact CD2-CZ2 3.81Å; F515-W517 AromaticContact CE1-CH2 3.5Å; F515-W517 HydrophobicContact CE1-CH2 3.5Å; F515-W517 VanDerWaalsContact CE1-CH2 3.5Å; F515-W517 AromaticContact CE1-CZ2 3.84Å; F515-W517 HydrophobicContact CE1-CZ2 3.84Å; F515-W517 HydrophobicContact CE1-CZ3 4.27Å; F515-W517 HydrophobicContact CE2-CZ2 4.22Å; F515-W517 HydrophobicContact CG-CD2 4.24Å; F515-W517 AromaticContact CG-CE2 3.67Å; F515-W517 HydrophobicContact CG-CE3 4.41Å; F515-W517 AromaticContact CG-CH2 3.64Å; F515-W517 HydrophobicContact CG-CH2 3.64Å; F515-W517 AromaticContact CG-CZ2 3.37Å; F515-W517 HydrophobicContact CG-CZ2 3.37Å; F515-W517 HydrophobicContact CG-CZ3 4.13Å; F515-W517 HydrophobicContact CZ-CH2 4.26Å; F515-W517 HydrophobicContact CZ-CZ2 4.21Å; F515-W517 PolarHBondContact O-N 3.5Å; F515-E518 HydrophobicContact CB-CG 4.45Å; F515-E518 PolarHBondContact N-OE1 2.93Å; F515-E518 WeakPolarHBondContact O-CB 3.4Å; F515-E518 WeakPolarHBondContact O-CG 3.43Å; F515-E518 PolarHBondContact O-N 3.11Å
516	G	80.2	Confident	72.2	Confident	45 Å²	45	74 Å²	74	46%	0.464	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-3.3	-179.3	0	0	0	0	0	115.4	H332	H332-G516 VanDerWaalsContact CE1-CA 3.47Å; H332-G516 WeakPolarHBondContact CE1-CA 3.11Å; H332-G516 PolarHBondContact CE1-O 3.09Å
517	W	78.4	Confident	69.5	Low	1 Å²	1	74.8 Å²	74.8	0%	0.004	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-8.1	169.8	64.4	69.3	0	0	0	113.9	L324 I327 F334 I342 V370 I379 F515 E519 M520 L521	L324-W517 HydrophobicContact CD2-CH2 4.04Å; L324-W517 HydrophobicContact CD2-CZ2 4.48Å; I327-W517 HydrophobicContact CD1-CD2 3.93Å; I327-W517 HydrophobicContact CD1-CE3 4.37Å; I327-W517 HydrophobicContact CD1-CG 4.06Å; I327-W517 HydrophobicContact CG2-CB 3.92Å; I327-W517 HydrophobicContact CG2-CD2 4.08Å; I327-W517 HydrophobicContact CG2-CE3 3.73Å; I327-W517 HydrophobicContact CG2-CG 4.23Å; F334-W517 HydrophobicContact CD1-CZ3 4.07Å; F334-W517 AromaticContact CE1-CE3 3.83Å; F334-W517 HydrophobicContact CE1-CE3 3.83Å; F334-W517 AromaticContact CE1-CZ3 3.53Å; F334-W517 HydrophobicContact CE1-CZ3 3.53Å; F334-W517 HydrophobicContact CZ-CZ3 4.41Å; I342-W517 HydrophobicContact CD1-CH2 3.91Å; I342-W517 HydrophobicContact CD1-CZ3 3.93Å; I342-W517 HydrophobicContact CG1-CH2 3.92Å; I342-W517 HydrophobicContact CG1-CZ3 4.44Å; V370-W517 HydrophobicContact CG1-CZ2 3.77Å; I379-W517 HydrophobicContact CD1-CH2 4.33Å; I379-W517 HydrophobicContact CD1-CZ2 4.37Å; F515-W517 HydrophobicContact CB-CD2 3.63Å; F515-W517 VanDerWaalsContact CB-CE2 3.45Å; F515-W517 HydrophobicContact CB-CE3 3.94Å; F515-W517 HydrophobicContact CB-CG 4.17Å; F515-W517 HydrophobicContact CB-CH2 4.07Å; F515-W517 HydrophobicContact CB-CZ2 3.71Å; F515-W517 HydrophobicContact CB-CZ3 4.16Å; F515-W517 HydrophobicContact CD1-CE3 4.26Å; F515-W517 AromaticContact CD1-CH2 3.14Å; F515-W517 HydrophobicContact CD1-CH2 3.14Å; F515-W517 AromaticContact CD1-CZ2 3.4Å; F515-W517 HydrophobicContact CD1-CZ2 3.4Å; F515-W517 VanDerWaalsContact CD1-CZ2 3.4Å; F515-W517 AromaticContact CD1-CZ3 3.59Å; F515-W517 HydrophobicContact CD1-CZ3 3.59Å; F515-W517 HydrophobicContact CD2-CH2 4.4Å; F515-W517 AromaticContact CD2-CZ2 3.81Å; F515-W517 HydrophobicContact CD2-CZ2 3.81Å; F515-W517 AromaticContact CE1-CH2 3.5Å; F515-W517 HydrophobicContact CE1-CH2 3.5Å; F515-W517 VanDerWaalsContact CE1-CH2 3.5Å; F515-W517 AromaticContact CE1-CZ2 3.84Å; F515-W517 HydrophobicContact CE1-CZ2 3.84Å; F515-W517 HydrophobicContact CE1-CZ3 4.27Å; F515-W517 HydrophobicContact CE2-CZ2 4.22Å; F515-W517 HydrophobicContact CG-CD2 4.24Å; F515-W517 AromaticContact CG-CE2 3.67Å; F515-W517 HydrophobicContact CG-CE3 4.41Å; F515-W517 AromaticContact CG-CH2 3.64Å; F515-W517 HydrophobicContact CG-CH2 3.64Å; F515-W517 AromaticContact CG-CZ2 3.37Å; F515-W517 HydrophobicContact CG-CZ2 3.37Å; F515-W517 HydrophobicContact CG-CZ3 4.13Å; F515-W517 HydrophobicContact CZ-CH2 4.26Å; F515-W517 HydrophobicContact CZ-CZ2 4.21Å; F515-W517 PolarHBondContact O-N 3.5Å; W517-E519 PolarHBondContact O-N 3.23Å; W517-M520 WeakPolarHBondContact O-CA 3.49Å; W517-M520 WeakPolarHBondContact O-CB 3.38Å; W517-M520 PolarHBondContact O-N 2.94Å; W517-L521 WeakPolarHBondContact O-CG 3.2Å; W517-L521 PolarHBondContact O-N 2.89Å
518	E	78.7	Confident	67	Low	42 Å²	42	76.4 Å²	76.4	20%	0.196	45%	0.445	C	S	.	.	G	3₁₀ helix	trans	-56.3	-34.4	179	-77.5	169.7	-139.4	0	0	112.1	I376 R377 P514 F515 M520	I376-E518 HydrophobicContact CD1-CB 4.31Å; I376-E518 HydrophobicContact CD1-CG 4.16Å; I376-E518 HydrophobicContact CG1-CG 4.24Å; I376-E518 HydrophobicContact CG2-CG 4.34Å; R377-E518 WeakPolarHBondContact CG-OE1 3.44Å; R377-E518 IonicContact CZ-OE1 2.66Å; R377-E518 IonicContact CZ-OE2 3.12Å; R377-E518 VanDerWaalsContact NE-CD 3.28Å; R377-E518 IonicContact NE-OE1 2.67Å; R377-E518 PolarHBondContact NE-OE1 2.84Å; R377-E518 IonicContact NE-OE2 3.99Å; R377-E518 PolarHBondContact NE-OE2 2.75Å; R377-E518 VanDerWaalsContact NE-OE2 3.11Å; R377-E518 IonicContact NH2-OE1 2.7Å; R377-E518 IonicContact NH2-OE2 3.91Å; R377-E518 PolarHBondContact NH2-OE2 2.9Å; P514-E518 WeakPolarHBondContact CA-OE1 3.16Å; F515-E518 HydrophobicContact CB-CG 4.45Å; F515-E518 PolarHBondContact N-OE1 2.93Å; F515-E518 WeakPolarHBondContact O-CB 3.4Å; F515-E518 WeakPolarHBondContact O-CG 3.43Å; F515-E518 PolarHBondContact O-N 3.11Å; E518-M520 VanDerWaalsContact C-N 3.34Å
519	E	67.2	Low	64.5	Low	192 Å²	192	76.9 Å²	76.9	90%	0.897	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-74.3	-20.5	174.5	-57.1	-169.6	163.3	0	0	113.9	W517	W517-E519 PolarHBondContact O-N 3.23Å
520	M	66.1	Low	61.9	Low	98 Å²	98	83.5 Å²	83.5	48%	0.483	46%	0.462	S	S	.	.	G	3₁₀ helix	trans	-85.8	-16.1	-177.7	-61.1	-173.4	174.8	0	0	113.3	W517 E518	W517-M520 WeakPolarHBondContact O-CA 3.49Å; W517-M520 WeakPolarHBondContact O-CB 3.38Å; W517-M520 PolarHBondContact O-N 2.94Å; E518-M520 VanDerWaalsContact C-N 3.34Å
521	L	59.1	Low	59.4	Low	24 Å²	24	91.4 Å²	91.4	13%	0.126	48%	0.483	C	S	.	.	S	Bend	trans	-108	124	-172.7	-53.8	-178.1	0	0	0	110.4	P322 V370 I376 W517 A523	P322-L521 HydrophobicContact CG-CD1 4.36Å; P322-L521 HydrophobicContact CG-CD2 3.37Å; V370-L521 HydrophobicContact CG2-CD1 3.48Å; V370-L521 VanDerWaalsContact CG2-CD1 3.48Å; I376-L521 HydrophobicContact CD1-CB 4.1Å; I376-L521 HydrophobicContact CD1-CD1 4.44Å; I376-L521 HydrophobicContact CG1-CD1 4.26Å; W517-L521 WeakPolarHBondContact O-CG 3.2Å; W517-L521 PolarHBondContact O-N 2.89Å; L521-A523 PolarHBondContact O-N 2.97Å
522	P	50.1	Low	57.2	Low	69 Å²	69	95 Å²	95	45%	0.448	50%	0.497	S	S	.	.			trans	-65.5	136.9	169.7	29.4	-33.1	0	0	0	109
523	A	48.3	Very low	54.6	Low	67 Å²	67	94.6 Å²	94.6	55%	0.554	50%	0.501	S	S	*	.			trans	-52.7	150.2	162.9	0	0	0	0	0	110	L521 D525	L521-A523 PolarHBondContact O-N 2.97Å; A523-D525 PolarHBondContact O-N 3.2Å; A523-D525 VanDerWaalsContact O-N 3.14Å
524	S	42.3	Very low	51.8	Low	69 Å²	69	103.2 Å²	103.2	48%	0.483	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	113.2	175.6	41.5	0	0	0	0	109.7
525	D	39.7	Very low	49.3	Very low	101 Å²	101	103.1 Å²	103.1	54%	0.54	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn		-155.3	0.7	71.3	-126.7	-29.6	0	0	0	114.7	A523 R527	A523-D525 PolarHBondContact O-N 3.2Å; A523-D525 VanDerWaalsContact O-N 3.14Å; D525-R527 PolarHBondContact O-N 2.66Å
526	N	38.8	Very low	47	Very low	80 Å²	80	109.8 Å²	109.8	43%	0.428	57%	0.573	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.9	46.9	-161.2	-54.4	67.9	0	0	0	116.1	E529 K530	N526-E529 PolarHBondContact ND2-OE2 3.26Å; N526-K530 VanDerWaalsContact O-CE 3.29Å; N526-K530 WeakPolarHBondContact O-CE 3.49Å
527	R	36.8	Very low	44.9	Very low	145 Å²	145	117.1 Å²	117.1	55%	0.547	59%	0.592	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.3	-28.6	172.2	-76.6	-172.2	176.6	176.4	2	113.9	D525	D525-R527 PolarHBondContact O-N 2.66Å
528	A	39.8	Very low	42.9	Very low	97 Å²	97	121.8 Å²	121.8	80%	0.802	63%	0.631	S	S	*	*	S	Bend	trans	-69.9	-34.4	174.9	0	0	0	0	0	112.8	K530	A528-K530 VanDerWaalsContact C-N 3.33Å; A528-K530 PolarHBondContact O-N 3.21Å
529	E	38.2	Very low	41.1	Very low	125 Å²	125	126.9 Å²	126.9	58%	0.584	65%	0.652	S	S	*	*	S	Bend	trans	-75.6	-15.6	-172.1	-57.9	-178.9	124.4	0	0	114.6	N526 R531 K532	N526-E529 PolarHBondContact ND2-OE2 3.26Å; E529-R531 PolarHBondContact O-N 3.42Å; E529-K532 PolarHBondContact O-N 3.41Å
530	K	35.3	Very low	40	Very low	155 Å²	155	126.8 Å²	126.8	67%	0.674	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	17.3	-170.9	-71.9	-173.9	175.2	-176.8	0	115.6	N526 A528	N526-K530 VanDerWaalsContact O-CE 3.29Å; N526-K530 WeakPolarHBondContact O-CE 3.49Å; A528-K530 VanDerWaalsContact C-N 3.33Å; A528-K530 PolarHBondContact O-N 3.21Å
531	R	34.9	Very low	39.2	Very low	247 Å²	247	129 Å²	129	93%	0.932	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.4	10.2	166.1	-77.6	-172.9	166.2	-170.5	-4.4	114.2	E529	E529-R531 PolarHBondContact O-N 3.42Å
532	K	32.2	Very low	39.3	Very low	186 Å²	186	128.6 Å²	128.6	81%	0.809	66%	0.664	S	S	*	*	S	Bend	trans	-128.2	160.4	166.8	-77.5	-169.1	175.8	-176.1	0	111.8	E529	E529-K532 PolarHBondContact O-N 3.41Å
533	P	28.1	Very low	40.7	Very low	120 Å²	120	125.9 Å²	125.9	78%	0.779	65%	0.646	S	S	*	*			trans	-93.3	116.7	-153.6	-7.1	26.9	0	0	0	115.1	A535	P533-A535 PolarHBondContact O-N 3.09Å; P533-A535 VanDerWaalsContact O-N 3.12Å
534	K	27.4	Very low	42.5	Very low	220 Å²	220	123 Å²	123	96%	0.957	62%	0.621	S	S	*	*			trans	25.6	71.4	147.8	-66	-179.7	175.2	176.8	0	117.4
535	A	31.1	Very low	44.5	Very low	79 Å²	79	124.7 Å²	124.7	65%	0.653	62%	0.622	S	S	*	*			trans	-137.6	170.3	158.5	0	0	0	0	0	109.9	P533	P533-A535 PolarHBondContact O-N 3.09Å; P533-A535 VanDerWaalsContact O-N 3.12Å
536	E	35.2	Very low	46.6	Very low	143 Å²	143	124.1 Å²	124.1	67%	0.668	62%	0.618	S	S	*	*			trans	48.7	105.6	167.9	-78	138.7	-148	0	0	119.2
537	K	34.5	Very low	48.6	Very low	199 Å²	199	127.7 Å²	127.7	87%	0.865	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-70.7	132.5	150.8	-58.7	168.6	179.7	176.5	0	107	K539	K537-K539 PolarHBondContact O-N 3.01Å; K537-K539 VanDerWaalsContact O-N 3.17Å
538	A	36.5	Very low	50.8	Low	99 Å²	99	124 Å²	124	82%	0.818	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-53.4	123.9	165.9	0	0	0	0	0	109.4	K540	A538-K540 PolarHBondContact O-N 2.88Å; A538-K540 VanDerWaalsContact O-N 3.14Å
539	K	41.8	Very low	53	Low	150 Å²	150	122.9 Å²	122.9	65%	0.652	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-59.9	117.7	172.2	-81.4	-171.8	171	-171.6	0	107.4	K537 L541	K537-K539 PolarHBondContact O-N 3.01Å; K537-K539 VanDerWaalsContact O-N 3.17Å; K539-L541 PolarHBondContact O-N 3.44Å
540	K	43.6	Very low	55.1	Low	189 Å²	189	117.4 Å²	117.4	82%	0.822	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-60.7	126.2	157.5	-78.7	-173.5	170.2	-172.7	0	105.6	A538 G542	A538-K540 PolarHBondContact O-N 2.88Å; A538-K540 VanDerWaalsContact O-N 3.14Å; K540-G542 PolarHBondContact O-N 3.41Å
541	L	49.8	Very low	57.2	Low	144 Å²	144	113.7 Å²	113.7	75%	0.754	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-52.3	129.9	169	-76.3	103.1	0	0	0	108.2	K539 E545	K539-L541 PolarHBondContact O-N 3.44Å; L541-E545 HydrophobicContact CD2-CG 4.26Å
542	G	60.4	Low	59.4	Low	17 Å²	17	110.5 Å²	110.5	18%	0.175	56%	0.561	C	S	.	*			trans	-69.6	-177.6	177.7	0	0	0	0	0	111.8	K540 L544 Y569	K540-G542 PolarHBondContact O-N 3.41Å; G542-L544 PolarHBondContact O-N 3.36Å; G542-L544 VanDerWaalsContact O-N 3.17Å; G542-Y569 VanDerWaalsContact C-OH 3.25Å; G542-Y569 VanDerWaalsContact CA-OH 3.23Å; G542-Y569 WeakPolarHBondContact CA-OH 2.78Å
543	P	80.9	Confident	62	Low	12 Å²	12	103.5 Å²	103.5	8%	0.078	53%	0.531	C	S	.	.	S	Bend	trans	-68.4	-3.6	177.7	29	-38.9	0	0	0	115.6	A567 Y569 A584 S585 K587 P624	P543-A567 HydrophobicContact CG-CB 4.38Å; P543-Y569 WeakPolarHBondContact CD-OH 3.15Å; P543-Y569 HydrophobicContact CG-CE2 4.48Å; P543-Y569 VanDerWaalsContact N-OH 3.11Å; P543-A584 HydrophobicContact CG-CB 3.96Å; P543-S585 WeakPolarHBondContact CB-O 3.3Å; P543-S585 WeakPolarHBondContact CG-O 3.24Å; P543-K587 VanDerWaalsContact C-CE 3.49Å; P543-K587 HydrophobicContact CB-CG 4.14Å; P543-K587 WeakPolarHBondContact O-CE 3.16Å; P543-P624 HydrophobicContact CB-CB 4.04Å; P543-P624 HydrophobicContact CB-CG 4.03Å; P543-P624 WeakPolarHBondContact O-CD 3.44Å; P543-P624 WeakPolarHBondContact O-CG 3.29Å
544	L	85.8	Confident	64.9	Low	6 Å²	6	98.4 Å²	98.4	3%	0.031	50%	0.496	C	S	.	.	S	Bend	trans	-134	156.2	175.1	-62.6	166.5	0	0	0	108.1	G542 E548 I550 I556 Y569 I582 A584 P624	G542-L544 PolarHBondContact O-N 3.36Å; G542-L544 VanDerWaalsContact O-N 3.17Å; L544-E548 VanDerWaalsContact CA-OE2 3.28Å; L544-E548 WeakPolarHBondContact CA-OE2 3.43Å; L544-E548 WeakPolarHBondContact CD2-OE1 3.16Å; L544-I550 HydrophobicContact CD1-CD1 3.52Å; L544-I550 HydrophobicContact CD2-CD1 3.76Å; L544-I550 HydrophobicContact CD2-CG1 4.36Å; L544-I550 HydrophobicContact CG-CD1 4.24Å; L544-I556 HydrophobicContact CB-CG1 4.47Å; L544-I556 HydrophobicContact CD1-CD1 4.19Å; L544-I556 HydrophobicContact CD1-CG1 4.46Å; L544-Y569 HydrophobicContact CB-CE1 4.25Å; L544-Y569 HydrophobicContact CB-CE2 3.89Å; L544-Y569 HydrophobicContact CD1-CD2 3.8Å; L544-Y569 HydrophobicContact CD1-CE2 3.66Å; L544-Y569 HydrophobicContact CG-CE2 4.08Å; L544-Y569 PolarHBondContact N-OH 2.78Å; L544-Y569 PolarHBondContact O-OH 3.04Å; L544-I582 HydrophobicContact CD1-CG2 4.24Å; L544-A584 HydrophobicContact CD1-CB 3.52Å; L544-A584 HydrophobicContact CG-CB 3.97Å; L544-P624 HydrophobicContact CD2-CG 3.55Å; L544-P624 HydrophobicContact CG-CG 3.87Å
545	E	83.3	Confident	67.9	Low	105 Å²	105	89.3 Å²	89.3	49%	0.491	46%	0.46	S	S	.	.			trans	-103.5	157.1	-179.6	-69.1	172.1	-146.9	0	0	110.9	L541 E548 I556 K587	L541-E545 HydrophobicContact CD2-CG 4.26Å; E545-E548 PolarHBondContact N-OE2 2.71Å; E545-E548 WeakPolarHBondContact O-CB 3.09Å; E545-E548 PolarHBondContact O-N 2.93Å; E545-I556 WeakPolarHBondContact O-CB 3.37Å; E545-I556 WeakPolarHBondContact O-CG2 3.43Å; E545-K587 IonicContact OE1-NZ 3.69Å
546	I	83.6	Confident	70.7	Confident	89 Å²	89	85.6 Å²	85.6	46%	0.456	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	144.9	176.2	-54.5	-53.3	0	0	0	108.3	E548 I556 E557	I546-E548 PolarHBondContact O-N 2.99Å; I546-I556 HydrophobicContact CD1-CG2 3.81Å; I546-E557 VanDerWaalsContact CG2-O 3.31Å; I546-E557 WeakPolarHBondContact CG2-O 3.45Å
547	E	81.1	Confident	73.2	Confident	154 Å²	154	81.8 Å²	81.8	72%	0.72	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.4	4.3	-169.7	-64	162.4	-138.4	0	0	114.7	V549 I556	E547-V549 PolarHBondContact O-N 2.82Å; E547-I556 WeakPolarHBondContact CA-O 3.43Å; E547-I556 PolarHBondContact N-O 2.89Å
548	E	84.3	Confident	75.7	Confident	69 Å²	69	76.7 Å²	76.7	32%	0.322	39%	0.39	S	S	.	.			trans	-65.9	127.8	172.7	-170.3	-177.5	156.6	0	0	111.3	L544 E545 I546 C555 I556	L544-E548 VanDerWaalsContact CA-OE2 3.28Å; L544-E548 WeakPolarHBondContact CA-OE2 3.43Å; L544-E548 WeakPolarHBondContact CD2-OE1 3.16Å; E545-E548 PolarHBondContact N-OE2 2.71Å; E545-E548 WeakPolarHBondContact O-CB 3.09Å; E545-E548 PolarHBondContact O-N 2.93Å; I546-E548 PolarHBondContact O-N 2.99Å; E548-C555 WeakPolarHBondContact O-CA 3.28Å; E548-I556 HydrophobicContact CB-CG1 4.32Å; E548-I556 PolarHBondContact O-N 2.85Å
549	V	86.1	Confident	78.2	Confident	72 Å²	72	73.3 Å²	73.3	44%	0.436	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	100.4	179.7	-175.9	0	0	0	0	111.6	E547 W554 C555 L574	E547-V549 PolarHBondContact O-N 2.82Å; V549-W554 CarbonylContact C-O 3.57Å; V549-W554 WeakPolarHBondContact CA-O 3.37Å; V549-C555 HydrophobicContact CG2-CB 4.12Å; V549-L574 HydrophobicContact CG1-CD1 3.79Å
550	I	82.2	Confident	80.3	Confident	10 Å²	10	70 Å²	70	5%	0.051	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	133.6	-177.7	-59.6	174.8	0	0	0	110.8	L544 H552 K553 W554 I556 I582 I626	L544-I550 HydrophobicContact CD1-CD1 3.52Å; L544-I550 HydrophobicContact CD2-CD1 3.76Å; L544-I550 HydrophobicContact CD2-CG1 4.36Å; L544-I550 HydrophobicContact CG-CD1 4.24Å; I550-H552 PolarHBondContact O-N 3.24Å; I550-K553 PolarHBondContact O-N 2.97Å; I550-W554 HydrophobicContact CG2-CE3 4.42Å; I550-W554 PolarHBondContact N-O 3.2Å; I550-W554 PolarHBondContact O-N 3.48Å; I550-I556 HydrophobicContact CD1-CD1 3.81Å; I550-I556 HydrophobicContact CD1-CG1 4.12Å; I550-I582 HydrophobicContact CD1-CD1 4.29Å; I550-I582 HydrophobicContact CD1-CG2 4.39Å; I550-I626 HydrophobicContact CG2-CD1 3.52Å
551	N	79.4	Confident	82.2	Confident	77 Å²	77	63.7 Å²	63.7	41%	0.412	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.6	36.1	176.9	-66.8	4.9	0	0	0	113.7	K553 W554 D619 T622	N551-K553 WeakPolarHBondContact O-CB 3.15Å; N551-K553 PolarHBondContact O-N 2.84Å; N551-K553 VanDerWaalsContact O-N 3.13Å; N551-W554 HydrophobicContact CB-CE3 4.42Å; N551-W554 HydrophobicContact CB-CZ3 4.14Å; N551-D619 PolarHBondContact ND2-OD2 3.37Å; N551-T622 WeakPolarHBondContact OD1-CG2 3.07Å
552	H	79.9	Confident	83.6	Confident	180 Å²	180	60.1 Å²	60.1	83%	0.833	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	26.3	-175.3	-52.4	-68.2	0	0	0	114.8	I550	I550-H552 PolarHBondContact O-N 3.24Å
553	K	86.5	Confident	83.9	Confident	39 Å²	39	61.4 Å²	61.4	17%	0.17	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-140.5	-34.4	-166.9	-176.9	172.8	-179.5	-134.3	0	115.2	I550 N551 D573 L574 I575	I550-K553 PolarHBondContact O-N 2.97Å; N551-K553 WeakPolarHBondContact O-CB 3.15Å; N551-K553 PolarHBondContact O-N 2.84Å; N551-K553 VanDerWaalsContact O-N 3.13Å; K553-D573 WeakPolarHBondContact CE-OD1 3.18Å; K553-D573 WeakPolarHBondContact CE-OD2 3.23Å; K553-D573 IonicContact NZ-OD1 2.71Å; K553-D573 IonicContact NZ-OD2 3.5Å; K553-D573 PolarHBondContact NZ-OD2 3.49Å; K553-L574 WeakPolarHBondContact O-CB 3.48Å; K553-L574 WeakPolarHBondContact O-CG 3.39Å; K553-L574 PolarHBondContact O-N 2.87Å; K553-I575 HydrophobicContact CD-CD1 3.81Å; K553-I575 HydrophobicContact CD-CG1 4.44Å; K553-I575 HydrophobicContact CG-CD1 3.94Å; K553-I575 HydrophobicContact CG-CG1 4.13Å
554	W	89.3	Confident	83.3	Confident	13 Å²	13	64.5 Å²	64.5	5%	0.049	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	112	-176.1	-59.3	-74.6	0	0	0	111.1	V549 I550 N551 A571 L572 D573 V580 I582 T617 V628	V549-W554 CarbonylContact C-O 3.57Å; V549-W554 WeakPolarHBondContact CA-O 3.37Å; I550-W554 HydrophobicContact CG2-CE3 4.42Å; I550-W554 PolarHBondContact N-O 3.2Å; I550-W554 PolarHBondContact O-N 3.48Å; N551-W554 HydrophobicContact CB-CE3 4.42Å; N551-W554 HydrophobicContact CB-CZ3 4.14Å; W554-A571 HydrophobicContact CB-CB 4.29Å; W554-L572 WeakPolarHBondContact CA-O 3.47Å; W554-D573 PolarHBondContact NE1-OD2 3.43Å; W554-D573 VanDerWaalsContact NE1-OD2 3.08Å; W554-V580 VanDerWaalsContact CD1-CG2 3.49Å; W554-V580 HydrophobicContact CG-CG2 4.29Å; W554-I582 HydrophobicContact CB-CD1 3.58Å; W554-I582 HydrophobicContact CD2-CD1 4.4Å; W554-I582 HydrophobicContact CG-CD1 3.92Å; W554-T617 HydrophobicContact CH2-CG2 3.62Å; W554-T617 HydrophobicContact CZ2-CG2 4.11Å; W554-V628 HydrophobicContact CH2-CG2 4.29Å; W554-V628 HydrophobicContact CZ2-CG1 4.17Å; W554-V628 HydrophobicContact CZ2-CG2 4.3Å; W554-V628 HydrophobicContact CZ3-CG2 4.44Å
555	C	89.9	Confident	82.7	Confident	30 Å²	30	67 Å²	67	20%	0.203	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	125	173.6	-173.7	0	0	0	0	109.7	E548 V549 A571 L572 L574	E548-C555 WeakPolarHBondContact O-CA 3.28Å; V549-C555 HydrophobicContact CG2-CB 4.12Å; C555-A571 CarbonylContact O-C 3.25Å; C555-A571 WeakPolarHBondContact O-CA 3.32Å; C555-A571 WeakPolarHBondContact O-CB 3.43Å; C555-L572 PolarHBondContact N-O 3.34Å; C555-L572 VanDerWaalsContact N-O 3.16Å; C555-L572 PolarHBondContact O-N 3.13Å; C555-L574 HydrophobicContact CB-CD1 4.42Å; C555-L574 HydrophobicContact CB-CD2 4.07Å; C555-L574 HydrophobicContact CB-CG 4.4Å
556	I	91.3	Very high	82.6	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.005	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	129.4	176.5	-60.4	-52.2	0	0	0	110.4	L544 E545 I546 E547 E548 I550 Y569 A571 I582	L544-I556 HydrophobicContact CB-CG1 4.47Å; L544-I556 HydrophobicContact CD1-CD1 4.19Å; L544-I556 HydrophobicContact CD1-CG1 4.46Å; E545-I556 WeakPolarHBondContact O-CB 3.37Å; E545-I556 WeakPolarHBondContact O-CG2 3.43Å; I546-I556 HydrophobicContact CD1-CG2 3.81Å; E547-I556 WeakPolarHBondContact CA-O 3.43Å; E547-I556 PolarHBondContact N-O 2.89Å; E548-I556 HydrophobicContact CB-CG1 4.32Å; E548-I556 PolarHBondContact O-N 2.85Å; I550-I556 HydrophobicContact CD1-CD1 3.81Å; I550-I556 HydrophobicContact CD1-CG1 4.12Å; I556-Y569 HydrophobicContact CD1-CG 4.41Å; I556-Y569 HydrophobicContact CG2-CD1 3.67Å; I556-Y569 HydrophobicContact CG2-CE1 4.42Å; I556-Y569 HydrophobicContact CG2-CG 4.08Å; I556-A571 HydrophobicContact CD1-CB 3.8Å; I556-I582 HydrophobicContact CD1-CB 4.49Å; I556-I582 HydrophobicContact CD1-CD1 4.09Å
557	E	86.3	Confident	82.9	Confident	62 Å²	62	58.3 Å²	58.3	29%	0.29	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	-46.4	180	-176.6	178.6	-93.8	0	0	112.8	I546 K570 Y579	I546-E557 VanDerWaalsContact CG2-O 3.31Å; I546-E557 WeakPolarHBondContact CG2-O 3.45Å; E557-K570 PolarHBondContact N-O 3.4Å; E557-K570 VanDerWaalsContact OE2-CD 3.31Å; E557-K570 WeakPolarHBondContact OE2-CD 3.38Å; E557-K570 WeakPolarHBondContact OE2-CE 3.42Å; E557-K570 IonicContact OE2-NZ 2.81Å; E557-K570 PolarHBondContact OE2-NZ 3.12Å; E557-Y579 HydrophobicContact CB-CE1 4.27Å; E557-Y579 VanDerWaalsContact CD-CE1 3.47Å; E557-Y579 WeakPolarHBondContact OE1-CE1 3.05Å; E557-Y579 VanDerWaalsContact OE1-CZ 3.27Å; E557-Y579 PolarHBondContact OE1-OH 3.02Å; E557-Y579 VanDerWaalsContact OE2-CE1 3.29Å; E557-Y579 WeakPolarHBondContact OE2-CE1 3.48Å
558	E	88.3	Confident	83.4	Confident	92 Å²	92	52.5 Å²	52.5	43%	0.43	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	155.5	178.1	58.6	162.9	-179.6	0	0	113.1	Y569 K570	E558-Y569 CarbonylContact O-C 3.53Å; E558-Y569 WeakPolarHBondContact O-CA 3.08Å; E558-Y569 VanDerWaalsContact O-CB 3.32Å; E558-Y569 WeakPolarHBondContact O-CB 2.94Å; E558-K570 HydrophobicContact CG-CB 3.5Å; E558-K570 VanDerWaalsContact CG-CB 3.5Å; E558-K570 HydrophobicContact CG-CD 3.93Å; E558-K570 HydrophobicContact CG-CG 4.3Å; E558-K570 PolarHBondContact N-O 2.99Å; E558-K570 PolarHBondContact O-N 3.34Å; E558-K570 WeakPolarHBondContact OE1-CD 3.17Å
559	E	89.1	Confident	83.9	Confident	29 Å²	29	49.3 Å²	49.3	14%	0.136	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	105.6	167.7	-174.4	-160.2	108.9	0	0	110	A562 A567 Y569	E559-A562 WeakPolarHBondContact OE1-CB 3.04Å; E559-A567 HydrophobicContact CG-CB 4.35Å; E559-Y569 HydrophobicContact CB-CD1 3.94Å; E559-Y569 HydrophobicContact CB-CE1 3.94Å; E559-Y569 HydrophobicContact CG-CD1 4.33Å; E559-Y569 HydrophobicContact CG-CE1 4.1Å
560	I	86	Confident	84.2	Confident	79 Å²	79	47.1 Å²	47.1	41%	0.405	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	-42.8	175.9	-58.4	172.2	0	0	0	110.5	V568 K570 L631	I560-V568 WeakPolarHBondContact CB-O 3.41Å; I560-V568 HydrophobicContact CD1-CG1 4.36Å; I560-V568 PolarHBondContact N-O 2.73Å; I560-K570 HydrophobicContact CD1-CB 3.94Å; I560-K570 HydrophobicContact CG1-CB 4.01Å; I560-L631 HydrophobicContact CD1-CD1 3.78Å
561	S	81.9	Confident	84.7	Confident	57 Å²	57	46.7 Å²	46.7	40%	0.399	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162	146.6	177.2	63.1	0	0	0	0	114.2	A567 V568	S561-A567 CarbonylContact O-C 3.54Å; S561-A567 VanDerWaalsContact O-CA 3.24Å; S561-A567 WeakPolarHBondContact O-CA 3.25Å; S561-A567 WeakPolarHBondContact O-CB 3.17Å; S561-V568 PolarHBondContact N-O 3.36Å; S561-V568 VanDerWaalsContact N-O 3.1Å; S561-V568 PolarHBondContact O-N 2.88Å
562	A	79.1	Confident	85.2	Confident	69 Å²	69	43.4 Å²	43.4	57%	0.57	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.3	139.4	167.8	0	0	0	0	0	111.7	E559 A567	E559-A562 WeakPolarHBondContact OE1-CB 3.04Å; A562-A567 HydrophobicContact CB-CB 4.39Å
563	G	68.1	Low	85.6	Confident	45 Å²	45	34.9 Å²	34.9	46%	0.464	21%	0.213	S	C	.	.			trans	-137.5	-171.5	-173.2	0	0	0	0	0	115.4	F565 G566 K586	G563-F565 VanDerWaalsContact C-N 3.35Å; G563-F565 PolarHBondContact O-N 3.25Å; G563-G566 PolarHBondContact N-O 3.12Å; G563-K586 PolarHBondContact O-NZ 3.33Å
564	A	68.1	Low	85.2	Confident	77 Å²	77	35 Å²	35	64%	0.636	22%	0.216	S	C	*	.	S	Bend	trans	-65.3	-37.1	-179.5	0	0	0	0	0	112.6	K586	A564-K586 PolarHBondContact O-NZ 3.03Å
565	F	71.8	Confident	84.7	Confident	59 Å²	59	40.2 Å²	40.2	26%	0.259	24%	0.243	S	C	.	.	S	Bend	trans	-99.2	-13.8	-172.9	-53.5	-71.6	0	0	0	114.4	G563 H595 L700	G563-F565 VanDerWaalsContact C-N 3.35Å; G563-F565 PolarHBondContact O-N 3.25Å; F565-H595 AromaticContact CD1-CE1 3.58Å; F565-H595 AromaticContact CD1-CG 3.92Å; F565-H595 AromaticContact CD1-ND1 3.6Å; F565-H595 AromaticContact CD1-NE2 3.9Å; F565-H595 AromaticContact CE1-CE1 3.49Å; F565-H595 VanDerWaalsContact CE1-CE1 3.49Å; F565-H595 WeakPolarHBondContact CE1-CE1 3.49Å; F565-H595 AromaticContact CE1-ND1 3.85Å; F565-L700 HydrophobicContact CE2-CD2 4.19Å; F565-L700 HydrophobicContact CE2-CG 4.06Å; F565-L700 HydrophobicContact CZ-CD2 3.82Å; F565-L700 HydrophobicContact CZ-CG 4.22Å
566	G	82.5	Confident	84.1	Confident	8 Å²	8	45 Å²	45	8%	0.082	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.6	-157.7	-168.4	0	0	0	0	0	112.8	G563 A584	G563-G566 PolarHBondContact N-O 3.12Å; G566-A584 CarbonylContact C-O 3.58Å; G566-A584 WeakPolarHBondContact CA-O 3.34Å
567	A	90	Very high	83.5	Confident	3 Å²	3	45.3 Å²	45.3	3%	0.025	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	160.1	168.1	0	0	0	0	0	110.8	P543 E559 S561 A562 Y569 K583 A584	P543-A567 HydrophobicContact CG-CB 4.38Å; E559-A567 HydrophobicContact CG-CB 4.35Å; S561-A567 CarbonylContact O-C 3.54Å; S561-A567 VanDerWaalsContact O-CA 3.24Å; S561-A567 WeakPolarHBondContact O-CA 3.25Å; S561-A567 WeakPolarHBondContact O-CB 3.17Å; A562-A567 HydrophobicContact CB-CB 4.39Å; A567-Y569 HydrophobicContact CB-CE2 3.81Å; A567-K583 CarbonylContact O-C 3.52Å; A567-K583 WeakPolarHBondContact O-CA 3.36Å; A567-A584 PolarHBondContact N-O 2.81Å; A567-A584 PolarHBondContact O-N 3.31Å
568	V	91.9	Very high	83.4	Confident	31 Å²	31	45.5 Å²	45.5	19%	0.188	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	131.9	175.1	-171.2	0	0	0	0	108.4	I560 S561 A581 I582 K583	I560-V568 WeakPolarHBondContact CB-O 3.41Å; I560-V568 HydrophobicContact CD1-CG1 4.36Å; I560-V568 PolarHBondContact N-O 2.73Å; S561-V568 PolarHBondContact N-O 3.36Å; S561-V568 VanDerWaalsContact N-O 3.1Å; S561-V568 PolarHBondContact O-N 2.88Å; V568-A581 HydrophobicContact CG1-CB 4.31Å; V568-I582 CarbonylContact C-O 3.48Å; V568-I582 WeakPolarHBondContact CA-O 2.97Å; V568-K583 HydrophobicContact CG2-CB 4.13Å; V568-K583 HydrophobicContact CG2-CD 4.28Å; V568-K583 HydrophobicContact CG2-CG 3.91Å
569	Y	94	Very high	83.5	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.008	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	152.3	-178.3	-55.6	-94.9	0	0	0	111.6	G542 P543 L544 I556 E558 E559 A567 A581 I582 A584	G542-Y569 VanDerWaalsContact C-OH 3.25Å; G542-Y569 VanDerWaalsContact CA-OH 3.23Å; G542-Y569 WeakPolarHBondContact CA-OH 2.78Å; P543-Y569 WeakPolarHBondContact CD-OH 3.15Å; P543-Y569 HydrophobicContact CG-CE2 4.48Å; P543-Y569 VanDerWaalsContact N-OH 3.11Å; L544-Y569 HydrophobicContact CB-CE1 4.25Å; L544-Y569 HydrophobicContact CB-CE2 3.89Å; L544-Y569 HydrophobicContact CD1-CD2 3.8Å; L544-Y569 HydrophobicContact CD1-CE2 3.66Å; L544-Y569 HydrophobicContact CG-CE2 4.08Å; L544-Y569 PolarHBondContact N-OH 2.78Å; L544-Y569 PolarHBondContact O-OH 3.04Å; I556-Y569 HydrophobicContact CD1-CG 4.41Å; I556-Y569 HydrophobicContact CG2-CD1 3.67Å; I556-Y569 HydrophobicContact CG2-CE1 4.42Å; I556-Y569 HydrophobicContact CG2-CG 4.08Å; E558-Y569 CarbonylContact O-C 3.53Å; E558-Y569 WeakPolarHBondContact O-CA 3.08Å; E558-Y569 VanDerWaalsContact O-CB 3.32Å; E558-Y569 WeakPolarHBondContact O-CB 2.94Å; E559-Y569 HydrophobicContact CB-CD1 3.94Å; E559-Y569 HydrophobicContact CB-CE1 3.94Å; E559-Y569 HydrophobicContact CG-CD1 4.33Å; E559-Y569 HydrophobicContact CG-CE1 4.1Å; A567-Y569 HydrophobicContact CB-CE2 3.81Å; Y569-A581 CarbonylContact O-C 3.58Å; Y569-A581 VanDerWaalsContact O-CA 3.31Å; Y569-A581 WeakPolarHBondContact O-CA 3.47Å; Y569-I582 WeakPolarHBondContact CD2-O 3.4Å; Y569-I582 PolarHBondContact N-O 3.25Å; Y569-I582 PolarHBondContact O-N 3.06Å; Y569-A584 HydrophobicContact CE2-CB 4.17Å
570	K	93.3	Very high	83.8	Confident	27 Å²	27	40.1 Å²	40.1	12%	0.117	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	132.2	162.3	-175.7	177.1	174.6	-148.3	0	107.4	E557 E558 I560 Y579 L631	E557-K570 PolarHBondContact N-O 3.4Å; E557-K570 VanDerWaalsContact OE2-CD 3.31Å; E557-K570 WeakPolarHBondContact OE2-CD 3.38Å; E557-K570 WeakPolarHBondContact OE2-CE 3.42Å; E557-K570 IonicContact OE2-NZ 2.81Å; E557-K570 PolarHBondContact OE2-NZ 3.12Å; E558-K570 HydrophobicContact CG-CB 3.5Å; E558-K570 VanDerWaalsContact CG-CB 3.5Å; E558-K570 HydrophobicContact CG-CD 3.93Å; E558-K570 HydrophobicContact CG-CG 4.3Å; E558-K570 PolarHBondContact N-O 2.99Å; E558-K570 PolarHBondContact O-N 3.34Å; E558-K570 WeakPolarHBondContact OE1-CD 3.17Å; I560-K570 HydrophobicContact CD1-CB 3.94Å; I560-K570 HydrophobicContact CG1-CB 4.01Å; K570-Y579 HydrophobicContact CD-CD1 4.13Å; K570-Y579 HydrophobicContact CD-CE1 4.38Å; K570-Y579 HydrophobicContact CG-CD1 3.52Å; K570-Y579 HydrophobicContact CG-CE1 4.06Å; K570-Y579 HydrophobicContact CG-CG 4.35Å; K570-L631 HydrophobicContact CD-CD2 4.24Å; K570-L631 HydrophobicContact CG-CD1 4.48Å; K570-L631 HydrophobicContact CG-CD2 4.08Å
571	A	92.9	Very high	84.2	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	144.7	-179.2	0	0	0	0	0	111.9	W554 C555 I556 Y579 V580 I582	W554-A571 HydrophobicContact CB-CB 4.29Å; C555-A571 CarbonylContact O-C 3.25Å; C555-A571 WeakPolarHBondContact O-CA 3.32Å; C555-A571 WeakPolarHBondContact O-CB 3.43Å; I556-A571 HydrophobicContact CD1-CB 3.8Å; A571-Y579 CarbonylContact O-C 3.52Å; A571-Y579 WeakPolarHBondContact O-CA 3.21Å; A571-Y579 WeakPolarHBondContact O-CD1 3.33Å; A571-V580 HydrophobicContact CB-CG2 4.03Å; A571-V580 PolarHBondContact N-O 3.27Å; A571-V580 WeakPolarHBondContact O-CG2 3.45Å; A571-V580 PolarHBondContact O-N 3.28Å; A571-I582 HydrophobicContact CB-CD1 3.61Å; A571-I582 HydrophobicContact CB-CG1 3.92Å
572	L	89.8	Confident	84.8	Confident	9 Å²	9	34.2 Å²	34.2	5%	0.047	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	119.5	178.9	178.8	60	0	0	0	110.2	W554 C555 L574 G577 Y579 I846 C849	W554-L572 WeakPolarHBondContact CA-O 3.47Å; C555-L572 PolarHBondContact N-O 3.34Å; C555-L572 VanDerWaalsContact N-O 3.16Å; C555-L572 PolarHBondContact O-N 3.13Å; L572-L574 HydrophobicContact CD2-CD2 4.1Å; L572-L574 HydrophobicContact CG-CD2 4.23Å; L572-L574 PolarHBondContact O-N 2.99Å; L572-G577 WeakPolarHBondContact CD1-O 3.46Å; L572-Y579 HydrophobicContact CB-CD1 4.36Å; L572-Y579 HydrophobicContact CB-CE1 3.94Å; L572-Y579 HydrophobicContact CD1-CD2 4.11Å; L572-Y579 HydrophobicContact CD1-CE2 3.71Å; L572-I846 HydrophobicContact CD1-CG1 4.12Å; L572-C849 HydrophobicContact CD2-CB 4.21Å
573	D	88	Confident	85.5	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	95.3	170.1	-170.9	-51.2	0	0	0	108.4	K553 W554 I575 K576 G577 N578 V580	K553-D573 WeakPolarHBondContact CE-OD1 3.18Å; K553-D573 WeakPolarHBondContact CE-OD2 3.23Å; K553-D573 IonicContact NZ-OD1 2.71Å; K553-D573 IonicContact NZ-OD2 3.5Å; K553-D573 PolarHBondContact NZ-OD2 3.49Å; W554-D573 PolarHBondContact NE1-OD2 3.43Å; W554-D573 VanDerWaalsContact NE1-OD2 3.08Å; D573-I575 PolarHBondContact O-N 2.81Å; D573-I575 PolarHBondContact OD1-N 2.79Å; D573-K576 HydrophobicContact CB-CB 4.26Å; D573-K576 PolarHBondContact O-N 3.04Å; D573-K576 VanDerWaalsContact O-N 3.1Å; D573-K576 PolarHBondContact OD1-N 2.97Å; D573-G577 WeakPolarHBondContact O-CA 3.26Å; D573-G577 PolarHBondContact O-N 2.94Å; D573-N578 VanDerWaalsContact CB-O 3.29Å; D573-N578 WeakPolarHBondContact CB-O 3.41Å; D573-N578 PolarHBondContact N-O 3.43Å; D573-V580 HydrophobicContact CB-CG1 4.27Å
574	L	78.2	Confident	86.6	Confident	42 Å²	42	29.6 Å²	29.6	22%	0.22	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-26.2	-173.3	-61.5	174.3	0	0	0	112.5	V549 K553 C555 L572 K850	V549-L574 HydrophobicContact CG1-CD1 3.79Å; K553-L574 WeakPolarHBondContact O-CB 3.48Å; K553-L574 WeakPolarHBondContact O-CG 3.39Å; K553-L574 PolarHBondContact O-N 2.87Å; C555-L574 HydrophobicContact CB-CD1 4.42Å; C555-L574 HydrophobicContact CB-CD2 4.07Å; C555-L574 HydrophobicContact CB-CG 4.4Å; L572-L574 HydrophobicContact CD2-CD2 4.1Å; L572-L574 HydrophobicContact CG-CD2 4.23Å; L572-L574 PolarHBondContact O-N 2.99Å; L574-K850 WeakPolarHBondContact O-CE 3.46Å; L574-K850 PolarHBondContact O-NZ 2.77Å
575	I	77.9	Confident	87.5	Confident	122 Å²	122	26 Å²	26	63%	0.626	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	-53.1	176.5	-58.4	-179.7	0	0	0	110.1	K553 D573	K553-I575 HydrophobicContact CD-CD1 3.81Å; K553-I575 HydrophobicContact CD-CG1 4.44Å; K553-I575 HydrophobicContact CG-CD1 3.94Å; K553-I575 HydrophobicContact CG-CG1 4.13Å; D573-I575 PolarHBondContact O-N 2.81Å; D573-I575 PolarHBondContact OD1-N 2.79Å
576	K	78.5	Confident	87.9	Confident	132 Å²	132	28.3 Å²	28.3	57%	0.574	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-24.2	-173	-65.6	179.5	178.4	177	0	115.3	D573 N578	D573-K576 HydrophobicContact CB-CB 4.26Å; D573-K576 PolarHBondContact O-N 3.04Å; D573-K576 VanDerWaalsContact O-N 3.1Å; D573-K576 PolarHBondContact OD1-N 2.97Å; K576-N578 VanDerWaalsContact C-N 3.27Å; K576-N578 WeakPolarHBondContact CB-OD1 3.26Å; K576-N578 VanDerWaalsContact CD-OD1 3.24Å; K576-N578 WeakPolarHBondContact CD-OD1 3.45Å; K576-N578 PolarHBondContact O-N 3.16Å
577	G	77.3	Confident	87	Confident	6 Å²	6	33.1 Å²	33.1	6%	0.062	16%	0.161	C	C	.	.			trans	82.3	-19.2	-171.2	0	0	0	0	0	115.3	L572 D573 I846	L572-G577 WeakPolarHBondContact CD1-O 3.46Å; D573-G577 WeakPolarHBondContact O-CA 3.26Å; D573-G577 PolarHBondContact O-N 2.94Å; G577-I846 WeakPolarHBondContact O-CD1 3.35Å; G577-I846 WeakPolarHBondContact O-CG1 3.12Å
578	N	84.2	Confident	85.5	Confident	66 Å²	66	41.6 Å²	41.6	35%	0.353	20%	0.2	S	C	.	.			trans	-77.1	155.1	177.9	77.1	-91.6	0	0	0	112.1	D573 K576	D573-N578 VanDerWaalsContact CB-O 3.29Å; D573-N578 WeakPolarHBondContact CB-O 3.41Å; D573-N578 PolarHBondContact N-O 3.43Å; K576-N578 VanDerWaalsContact C-N 3.27Å; K576-N578 WeakPolarHBondContact CB-OD1 3.26Å; K576-N578 VanDerWaalsContact CD-OD1 3.24Å; K576-N578 WeakPolarHBondContact CD-OD1 3.45Å; K576-N578 PolarHBondContact O-N 3.16Å
579	Y	91.2	Very high	83.7	Confident	9 Å²	9	42 Å²	42	4%	0.035	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	154.9	171.2	-77.2	-97.6	0	0	0	112.6	E557 K570 A571 L572 V842	E557-Y579 HydrophobicContact CB-CE1 4.27Å; E557-Y579 VanDerWaalsContact CD-CE1 3.47Å; E557-Y579 WeakPolarHBondContact OE1-CE1 3.05Å; E557-Y579 VanDerWaalsContact OE1-CZ 3.27Å; E557-Y579 PolarHBondContact OE1-OH 3.02Å; E557-Y579 VanDerWaalsContact OE2-CE1 3.29Å; E557-Y579 WeakPolarHBondContact OE2-CE1 3.48Å; K570-Y579 HydrophobicContact CD-CD1 4.13Å; K570-Y579 HydrophobicContact CD-CE1 4.38Å; K570-Y579 HydrophobicContact CG-CD1 3.52Å; K570-Y579 HydrophobicContact CG-CE1 4.06Å; K570-Y579 HydrophobicContact CG-CG 4.35Å; A571-Y579 CarbonylContact O-C 3.52Å; A571-Y579 WeakPolarHBondContact O-CA 3.21Å; A571-Y579 WeakPolarHBondContact O-CD1 3.33Å; L572-Y579 HydrophobicContact CB-CD1 4.36Å; L572-Y579 HydrophobicContact CB-CE1 3.94Å; L572-Y579 HydrophobicContact CD1-CD2 4.11Å; L572-Y579 HydrophobicContact CD1-CE2 3.71Å; Y579-V842 HydrophobicContact CD2-CB 4.48Å; Y579-V842 HydrophobicContact CD2-CG1 3.83Å; Y579-V842 HydrophobicContact CD2-CG2 3.85Å; Y579-V842 HydrophobicContact CE2-CB 3.95Å; Y579-V842 HydrophobicContact CE2-CG1 3.47Å; Y579-V842 VanDerWaalsContact CE2-CG1 3.47Å; Y579-V842 HydrophobicContact CE2-CG2 3.25Å
580	V	94.4	Very high	81.5	Confident	0 Å²	0	50 Å²	50	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	157	177.1	-59.1	0	0	0	0	109.4	W554 A571 D573 I582 I616 V628 L629	W554-V580 VanDerWaalsContact CD1-CG2 3.49Å; W554-V580 HydrophobicContact CG-CG2 4.29Å; A571-V580 HydrophobicContact CB-CG2 4.03Å; A571-V580 PolarHBondContact N-O 3.27Å; A571-V580 WeakPolarHBondContact O-CG2 3.45Å; A571-V580 PolarHBondContact O-N 3.28Å; D573-V580 HydrophobicContact CB-CG1 4.27Å; V580-I582 HydrophobicContact CG2-CD1 4.29Å; V580-I582 HydrophobicContact CG2-CG1 4.02Å; V580-I616 HydrophobicContact CB-CD1 4.14Å; V580-I616 HydrophobicContact CG1-CD1 3.42Å; V580-I616 VanDerWaalsContact CG1-CD1 3.42Å; V580-V628 HydrophobicContact CB-CG1 3.88Å; V580-V628 HydrophobicContact CG1-CG1 4.32Å; V580-V628 HydrophobicContact CG2-CG1 3.79Å; V580-L629 WeakPolarHBondContact CA-O 3.44Å; V580-L629 WeakPolarHBondContact CB-O 3.44Å
581	A	95.1	Very high	79.6	Confident	11 Å²	11	51.9 Å²	51.9	9%	0.091	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	123.9	169.6	0	0	0	0	0	109.7	V568 Y569 V628 L629 L631	V568-A581 HydrophobicContact CG1-CB 4.31Å; Y569-A581 CarbonylContact O-C 3.58Å; Y569-A581 VanDerWaalsContact O-CA 3.31Å; Y569-A581 WeakPolarHBondContact O-CA 3.47Å; A581-V628 WeakPolarHBondContact O-CA 3.35Å; A581-L629 HydrophobicContact CB-CB 4.38Å; A581-L629 PolarHBondContact N-O 2.82Å; A581-L629 PolarHBondContact O-N 2.98Å; A581-L631 HydrophobicContact CB-CD1 4.24Å
582	I	94.7	Very high	77.5	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	114.5	178	-60.1	-171	0	0	0	109.3	L544 I550 W554 I556 V568 Y569 A571 V580 I626 L627 V628	L544-I582 HydrophobicContact CD1-CG2 4.24Å; I550-I582 HydrophobicContact CD1-CD1 4.29Å; I550-I582 HydrophobicContact CD1-CG2 4.39Å; W554-I582 HydrophobicContact CB-CD1 3.58Å; W554-I582 HydrophobicContact CD2-CD1 4.4Å; W554-I582 HydrophobicContact CG-CD1 3.92Å; I556-I582 HydrophobicContact CD1-CB 4.49Å; I556-I582 HydrophobicContact CD1-CD1 4.09Å; V568-I582 CarbonylContact C-O 3.48Å; V568-I582 WeakPolarHBondContact CA-O 2.97Å; Y569-I582 WeakPolarHBondContact CD2-O 3.4Å; Y569-I582 PolarHBondContact N-O 3.25Å; Y569-I582 PolarHBondContact O-N 3.06Å; A571-I582 HydrophobicContact CB-CD1 3.61Å; A571-I582 HydrophobicContact CB-CG1 3.92Å; V580-I582 HydrophobicContact CG2-CD1 4.29Å; V580-I582 HydrophobicContact CG2-CG1 4.02Å; I582-I626 HydrophobicContact CG2-CB 4.12Å; I582-I626 HydrophobicContact CG2-CG2 4.13Å; I582-L627 CarbonylContact C-O 3.58Å; I582-L627 WeakPolarHBondContact CA-O 3.42Å; I582-V628 HydrophobicContact CD1-CG2 4.39Å; I582-V628 HydrophobicContact CG1-CG1 4.25Å; I582-V628 HydrophobicContact CG1-CG2 4.21Å
583	K	93.3	Very high	76.1	Confident	17 Å²	17	72 Å²	72	7%	0.074	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	120.1	172	-173.9	176.8	-159.9	-170.6	0	109.6	A567 V568 I596 E599 I626 L627 D697	A567-K583 CarbonylContact O-C 3.52Å; A567-K583 WeakPolarHBondContact O-CA 3.36Å; V568-K583 HydrophobicContact CG2-CB 4.13Å; V568-K583 HydrophobicContact CG2-CD 4.28Å; V568-K583 HydrophobicContact CG2-CG 3.91Å; K583-I596 HydrophobicContact CG-CD1 4.21Å; K583-I596 WeakPolarHBondContact O-CD1 3.39Å; K583-E599 WeakPolarHBondContact CE-OE2 3.45Å; K583-E599 IonicContact NZ-OE1 2.82Å; K583-E599 PolarHBondContact NZ-OE1 2.82Å; K583-E599 IonicContact NZ-OE2 3.14Å; K583-E599 PolarHBondContact NZ-OE2 2.77Å; K583-I626 CarbonylContact O-C 3.24Å; K583-I626 WeakPolarHBondContact O-CA 3.37Å; K583-L627 HydrophobicContact CB-CB 4.33Å; K583-L627 PolarHBondContact N-O 3.43Å; K583-L627 PolarHBondContact O-N 3.37Å; K583-D697 IonicContact NZ-OD1 3.37Å; K583-D697 PolarHBondContact NZ-OD1 2.83Å
584	A	91.1	Very high	75.2	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	137	-175.7	0	0	0	0	0	112.5	P543 L544 G566 A567 Y569 P624 H625 I626	P543-A584 HydrophobicContact CG-CB 3.96Å; L544-A584 HydrophobicContact CD1-CB 3.52Å; L544-A584 HydrophobicContact CG-CB 3.97Å; G566-A584 CarbonylContact C-O 3.58Å; G566-A584 WeakPolarHBondContact CA-O 3.34Å; A567-A584 PolarHBondContact N-O 2.81Å; A567-A584 PolarHBondContact O-N 3.31Å; Y569-A584 HydrophobicContact CE2-CB 4.17Å; A584-P624 HydrophobicContact CB-CB 4.19Å; A584-P624 HydrophobicContact CB-CG 3.84Å; A584-H625 CarbonylContact C-O 3.58Å; A584-H625 VanDerWaalsContact CA-O 3.29Å; A584-H625 WeakPolarHBondContact CA-O 3.4Å; A584-I626 HydrophobicContact CB-CG2 4.02Å
585	S	87.6	Confident	75.3	Confident	2 Å²	2	74 Å²	74	1%	0.014	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	170.2	177	75	0	0	0	0	112.2	P543 P624 H625	P543-S585 WeakPolarHBondContact CB-O 3.3Å; P543-S585 WeakPolarHBondContact CG-O 3.24Å; S585-P624 WeakPolarHBondContact O-CB 3.26Å; S585-H625 PolarHBondContact N-O 3.15Å; S585-H625 PolarHBondContact OG-N 3.35Å; S585-H625 VanDerWaalsContact OG-N 3.12Å
586	K	81.2	Confident	75.8	Confident	107 Å²	107	68.4 Å²	68.4	47%	0.465	32%	0.321	S	S	.	.			trans	-73.8	149	171.5	-70.9	170.1	179.8	168.7	0	111.1	G563 A564 Q588	G563-K586 PolarHBondContact O-NZ 3.33Å; A564-K586 PolarHBondContact O-NZ 3.03Å; K586-Q588 PolarHBondContact O-N 2.99Å
587	K	62.3	Low	76.2	Confident	110 Å²	110	63.4 Å²	63.4	48%	0.478	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	18.3	-172.1	-64.6	-171.7	175.8	-177	0	116.2	P543 E545	P543-K587 VanDerWaalsContact C-CE 3.49Å; P543-K587 HydrophobicContact CB-CG 4.14Å; P543-K587 WeakPolarHBondContact O-CE 3.16Å; E545-K587 IonicContact OE1-NZ 3.69Å
588	Q	59.2	Low	76.8	Confident	180 Å²	180	68.2 Å²	68.2	84%	0.841	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145.6	26.3	-176.2	-71	-170.4	-30.3	0	0	114.5	K586 N590	K586-Q588 PolarHBondContact O-N 2.99Å; Q588-N590 VanDerWaalsContact C-N 3.31Å; Q588-N590 PolarHBondContact O-N 3.2Å
589	E	54.5	Low	77.2	Confident	40 Å²	40	65.2 Å²	65.2	19%	0.187	30%	0.302	C	S	.	.			trans	-83	63.8	-174.4	-155.2	173.9	-93	0	0	113.6	S591 S594 H595 H625	E589-S591 PolarHBondContact O-N 3.45Å; E589-S594 WeakPolarHBondContact OE2-CA 2.96Å; E589-S594 WeakPolarHBondContact OE2-CB 3.45Å; E589-S594 PolarHBondContact OE2-OG 2.79Å; E589-H595 IonicContact OE1-CD2 3.94Å; E589-H595 PolarHBondContact OE2-N 2.86Å; E589-H625 IonicContact OE2-ND1 2.81Å
590	N	47.5	Very low	77.2	Confident	171 Å²	171	64.8 Å²	64.8	91%	0.914	30%	0.3	S	S	*	.			trans	-65.4	27.5	176.2	-80.7	-5.6	0	0	0	114.7	Q588	Q588-N590 VanDerWaalsContact C-N 3.31Å; Q588-N590 PolarHBondContact O-N 3.2Å
591	S	53.7	Low	77.1	Confident	65 Å²	65	69.2 Å²	69.2	46%	0.455	32%	0.32	S	S	.	.			trans	-85.9	134.2	-176.8	175.8	0	0	0	0	111.7	E589 R593	E589-S591 PolarHBondContact O-N 3.45Å; S591-R593 PolarHBondContact O-N 2.8Å; S591-R593 VanDerWaalsContact OG-C 3.29Å; S591-R593 PolarHBondContact OG-N 2.78Å; S591-R593 PolarHBondContact OG-O 2.87Å
592	K	48.2	Very low	77.1	Confident	221 Å²	221	68.7 Å²	68.7	96%	0.961	32%	0.316	S	S	*	.	S	Bend	trans	-61.1	-3.5	167.2	-71.2	-171.5	176.4	-177.3	0	114.1
593	R	60.2	Low	77.1	Confident	212 Å²	212	68.9 Å²	68.9	80%	0.8	32%	0.316	S	S	*	.	S	Bend	trans	-139.4	91.2	171.3	-65	-178.4	-179.3	169.8	0	108.1	S591	S591-R593 PolarHBondContact O-N 2.8Å; S591-R593 VanDerWaalsContact OG-C 3.29Å; S591-R593 PolarHBondContact OG-N 2.78Å; S591-R593 PolarHBondContact OG-O 2.87Å
594	S	68.6	Low	77	Confident	8 Å²	8	71.8 Å²	71.8	6%	0.056	33%	0.33	C	S	.	.			trans	-63.3	142.3	172.8	172.2	0	0	0	0	110.4	E589 I596 S597 W598 H625	E589-S594 WeakPolarHBondContact OE2-CA 2.96Å; E589-S594 WeakPolarHBondContact OE2-CB 3.45Å; E589-S594 PolarHBondContact OE2-OG 2.79Å; S594-I596 VanDerWaalsContact C-N 3.28Å; S594-I596 PolarHBondContact O-N 2.98Å; S594-I596 PolarHBondContact OG-N 3.21Å; S594-S597 PolarHBondContact N-OG 3.01Å; S594-S597 PolarHBondContact O-N 3.29Å; S594-S597 VanDerWaalsContact O-N 3.11Å; S594-S597 PolarHBondContact O-OG 3.42Å; S594-W598 PolarHBondContact O-N 2.85Å; S594-H625 WeakPolarHBondContact CB-ND1 3.48Å; S594-H625 PolarHBondContact OG-ND1 2.63Å
595	H	80.9	Confident	77	Confident	75 Å²	75	76.7 Å²	76.7	35%	0.347	35%	0.353	S	S	.	.	H	α-helix	trans	-59.2	-40.7	175.6	-85	-86.7	0	0	0	111.7	F565 E589 S597 W598 E599	F565-H595 AromaticContact CD1-CE1 3.58Å; F565-H595 AromaticContact CD1-CG 3.92Å; F565-H595 AromaticContact CD1-ND1 3.6Å; F565-H595 AromaticContact CD1-NE2 3.9Å; F565-H595 AromaticContact CE1-CE1 3.49Å; F565-H595 VanDerWaalsContact CE1-CE1 3.49Å; F565-H595 WeakPolarHBondContact CE1-CE1 3.49Å; F565-H595 AromaticContact CE1-ND1 3.85Å; E589-H595 IonicContact OE1-CD2 3.94Å; E589-H595 PolarHBondContact OE2-N 2.86Å; H595-S597 VanDerWaalsContact C-N 3.32Å; H595-S597 PolarHBondContact O-N 2.9Å; H595-W598 PolarHBondContact O-N 3.1Å; H595-W598 VanDerWaalsContact O-N 3.13Å; H595-E599 PolarHBondContact O-N 2.99Å
596	I	88.3	Confident	77.2	Confident	5 Å²	5	76.8 Å²	76.8	3%	0.026	35%	0.353	C	S	.	.	H	α-helix	trans	-56.1	-44.4	173.7	-67.9	-63	0	0	0	111.4	K583 S594 W598 E599 A600 V620 H625 I626 L627	K583-I596 HydrophobicContact CG-CD1 4.21Å; K583-I596 WeakPolarHBondContact O-CD1 3.39Å; S594-I596 VanDerWaalsContact C-N 3.28Å; S594-I596 PolarHBondContact O-N 2.98Å; S594-I596 PolarHBondContact OG-N 3.21Å; I596-W598 VanDerWaalsContact C-N 3.25Å; I596-W598 PolarHBondContact O-N 2.89Å; I596-E599 PolarHBondContact O-N 3.03Å; I596-A600 WeakPolarHBondContact O-CB 3.42Å; I596-A600 PolarHBondContact O-N 3.06Å; I596-V620 HydrophobicContact CG2-CG1 4.29Å; I596-H625 HydrophobicContact CB-CB 4.14Å; I596-H625 HydrophobicContact CG1-CB 4.06Å; I596-H625 HydrophobicContact CG2-CB 4.34Å; I596-I626 WeakPolarHBondContact CG2-O 3.31Å; I596-L627 HydrophobicContact CD1-CB 4Å; I596-L627 HydrophobicContact CG2-CB 4.13Å
597	S	87.8	Confident	77.6	Confident	26 Å²	26	81.7 Å²	81.7	18%	0.182	37%	0.369	C	S	.	.	H	α-helix	trans	-69	-19.2	179.9	79.3	0	0	0	0	114.5	S594 H595 K601	S594-S597 PolarHBondContact N-OG 3.01Å; S594-S597 PolarHBondContact O-N 3.29Å; S594-S597 VanDerWaalsContact O-N 3.11Å; S594-S597 PolarHBondContact O-OG 3.42Å; H595-S597 VanDerWaalsContact C-N 3.32Å; H595-S597 PolarHBondContact O-N 2.9Å; S597-K601 VanDerWaalsContact O-CD 3.32Å; S597-K601 WeakPolarHBondContact O-CD 3.11Å; S597-K601 WeakPolarHBondContact O-CE 3.5Å; S597-K601 WeakPolarHBondContact O-CG 3.32Å
598	W	89.7	Confident	78.7	Confident	107 Å²	107	80 Å²	80	41%	0.405	38%	0.383	S	S	.	.	H	α-helix	trans	-86	-42.5	171.6	-178	-107.3	0	0	0	110.6	S594 H595 I596 A600 K601 V602 F672 C701	S594-W598 PolarHBondContact O-N 2.85Å; H595-W598 PolarHBondContact O-N 3.1Å; H595-W598 VanDerWaalsContact O-N 3.13Å; I596-W598 VanDerWaalsContact C-N 3.25Å; I596-W598 PolarHBondContact O-N 2.89Å; W598-A600 PolarHBondContact O-N 2.81Å; W598-K601 WeakPolarHBondContact O-CB 3.45Å; W598-K601 PolarHBondContact O-N 3.15Å; W598-K601 VanDerWaalsContact O-N 3.15Å; W598-V602 PolarHBondContact O-N 3.08Å; W598-F672 HydrophobicContact CH2-CE1 4.46Å; W598-F672 HydrophobicContact CZ2-CE1 4Å; W598-C701 PolarHBondContact NE1-O 2.86Å
599	E	91.3	Very high	80.2	Confident	3 Å²	3	72.2 Å²	72.2	1%	0.014	35%	0.348	C	S	.	.	H	α-helix	trans	-62.8	-43.7	-179.9	-154.1	172.2	161.5	0	0	112.1	K583 H595 I596 K601 V602 Y603 L627 F698	K583-E599 WeakPolarHBondContact CE-OE2 3.45Å; K583-E599 IonicContact NZ-OE1 2.82Å; K583-E599 PolarHBondContact NZ-OE1 2.82Å; K583-E599 IonicContact NZ-OE2 3.14Å; K583-E599 PolarHBondContact NZ-OE2 2.77Å; H595-E599 PolarHBondContact O-N 2.99Å; I596-E599 PolarHBondContact O-N 3.03Å; E599-K601 PolarHBondContact O-N 2.9Å; E599-V602 WeakPolarHBondContact O-CB 3.42Å; E599-V602 PolarHBondContact O-N 2.95Å; E599-Y603 HydrophobicContact CG-CD2 4.49Å; E599-Y603 HydrophobicContact CG-CE2 4.2Å; E599-Y603 WeakPolarHBondContact O-CD2 3.25Å; E599-Y603 PolarHBondContact O-N 2.86Å; E599-Y603 VanDerWaalsContact O-N 3.13Å; E599-L627 HydrophobicContact CB-CD2 4.29Å; E599-L627 HydrophobicContact CG-CD2 4.2Å; E599-F698 HydrophobicContact CG-CB 3.79Å; E599-F698 PolarHBondContact OE1-N 2.9Å
600	A	92.4	Very high	82	Confident	0 Å²	0	73 Å²	73	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-55.1	-38.2	173.2	0	0	0	0	0	112.8	I596 W598 V602 Y603 E604 M615 Y618 L627	I596-A600 WeakPolarHBondContact O-CB 3.42Å; I596-A600 PolarHBondContact O-N 3.06Å; W598-A600 PolarHBondContact O-N 2.81Å; A600-V602 VanDerWaalsContact C-N 3.3Å; A600-V602 PolarHBondContact O-N 2.82Å; A600-Y603 WeakPolarHBondContact O-CB 3.44Å; A600-Y603 PolarHBondContact O-N 3.43Å; A600-E604 WeakPolarHBondContact O-CG 3.46Å; A600-E604 PolarHBondContact O-N 3.19Å; A600-M615 HydrophobicContact CB-SD 3.89Å; A600-Y618 HydrophobicContact CB-CD1 3.47Å; A600-Y618 VanDerWaalsContact CB-CD1 3.47Å; A600-Y618 HydrophobicContact CB-CD2 4.42Å; A600-Y618 HydrophobicContact CB-CE1 3.73Å; A600-Y618 HydrophobicContact CB-CG 3.84Å; A600-L627 HydrophobicContact CB-CD1 4.33Å
601	K	92.2	Very high	84.2	Confident	94 Å²	94	65.4 Å²	65.4	41%	0.409	32%	0.317	S	S	.	.	H	α-helix	trans	-71.5	-22.9	177.9	-69.2	172.8	-175.3	174.9	0	113.4	S597 W598 E599 Q605	S597-K601 VanDerWaalsContact O-CD 3.32Å; S597-K601 WeakPolarHBondContact O-CD 3.11Å; S597-K601 WeakPolarHBondContact O-CE 3.5Å; S597-K601 WeakPolarHBondContact O-CG 3.32Å; W598-K601 WeakPolarHBondContact O-CB 3.45Å; W598-K601 PolarHBondContact O-N 3.15Å; W598-K601 VanDerWaalsContact O-N 3.15Å; E599-K601 PolarHBondContact O-N 2.9Å; K601-Q605 WeakPolarHBondContact O-CG 3.34Å; K601-Q605 PolarHBondContact O-N 3.15Å
602	V	93.8	Very high	86.1	Confident	0 Å²	0	63 Å²	63	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-71.4	-50.2	168.2	-171.5	0	0	0	0	108.9	W598 E599 A600 E604 Q605 F606 L667 F672 F698 C701	W598-V602 PolarHBondContact O-N 3.08Å; E599-V602 WeakPolarHBondContact O-CB 3.42Å; E599-V602 PolarHBondContact O-N 2.95Å; A600-V602 VanDerWaalsContact C-N 3.3Å; A600-V602 PolarHBondContact O-N 2.82Å; V602-E604 VanDerWaalsContact C-N 3.35Å; V602-E604 PolarHBondContact O-N 2.87Å; V602-Q605 PolarHBondContact O-N 2.9Å; V602-Q605 VanDerWaalsContact O-N 3.15Å; V602-F606 WeakPolarHBondContact O-CB 3.31Å; V602-F606 PolarHBondContact O-N 2.84Å; V602-L667 HydrophobicContact CG1-CD1 3.88Å; V602-F672 HydrophobicContact CG1-CD1 4.46Å; V602-F672 HydrophobicContact CG1-CD2 4.26Å; V602-F672 HydrophobicContact CG1-CE2 4.49Å; V602-F672 HydrophobicContact CG1-CG 4.25Å; V602-F672 HydrophobicContact CG2-CD1 4.07Å; V602-F672 HydrophobicContact CG2-CE1 3.77Å; V602-F672 HydrophobicContact CG2-CZ 4.12Å; V602-F698 HydrophobicContact CB-CB 3.95Å; V602-F698 HydrophobicContact CB-CD2 4.02Å; V602-F698 HydrophobicContact CB-CG 4.15Å; V602-F698 HydrophobicContact CG1-CB 3.9Å; V602-F698 HydrophobicContact CG1-CD1 4.26Å; V602-F698 HydrophobicContact CG1-CD2 3.78Å; V602-F698 HydrophobicContact CG1-CE2 4.4Å; V602-F698 HydrophobicContact CG1-CG 3.72Å; V602-F698 HydrophobicContact CG2-CB 4.11Å; V602-C701 HydrophobicContact CG1-CB 4.38Å; V602-C701 HydrophobicContact CG2-CB 3.89Å
603	Y	94.8	Very high	88.3	Confident	4 Å²	4	52.6 Å²	52.6	2%	0.016	26%	0.255	C	S	.	.	H	α-helix	trans	-54.4	-46.6	175	-81	-79.6	0	0	0	112.5	E599 A600 Q605 F606 R607 P613 M615 L627 L629 F698	E599-Y603 HydrophobicContact CG-CD2 4.49Å; E599-Y603 HydrophobicContact CG-CE2 4.2Å; E599-Y603 WeakPolarHBondContact O-CD2 3.25Å; E599-Y603 PolarHBondContact O-N 2.86Å; E599-Y603 VanDerWaalsContact O-N 3.13Å; A600-Y603 WeakPolarHBondContact O-CB 3.44Å; A600-Y603 PolarHBondContact O-N 3.43Å; Y603-Q605 VanDerWaalsContact C-N 3.26Å; Y603-Q605 PolarHBondContact O-N 3.1Å; Y603-F606 PolarHBondContact O-N 2.84Å; Y603-R607 WeakPolarHBondContact O-CB 3.34Å; Y603-R607 PolarHBondContact O-N 3.07Å; Y603-P613 VanDerWaalsContact CD1-O 3.28Å; Y603-P613 WeakPolarHBondContact CD1-O 3.41Å; Y603-P613 HydrophobicContact CE1-CB 3.96Å; Y603-P613 HydrophobicContact CE1-CG 3.91Å; Y603-P613 VanDerWaalsContact CE1-O 3.31Å; Y603-P613 WeakPolarHBondContact CE1-O 3.49Å; Y603-M615 HydrophobicContact CD1-CB 4.26Å; Y603-M615 HydrophobicContact CG-CB 4.2Å; Y603-L627 HydrophobicContact CD2-CD2 4.08Å; Y603-L627 HydrophobicContact CE2-CD2 3.82Å; Y603-L629 HydrophobicContact CD1-CD2 4.2Å; Y603-L629 HydrophobicContact CD2-CD2 4.27Å; Y603-L629 HydrophobicContact CE1-CD1 4.41Å; Y603-L629 HydrophobicContact CE1-CD2 3.84Å; Y603-L629 HydrophobicContact CE2-CD1 4.21Å; Y603-L629 HydrophobicContact CE2-CD2 3.94Å; Y603-L629 HydrophobicContact CG-CD2 4.42Å; Y603-L629 VanDerWaalsContact OH-CD1 3.29Å; Y603-L629 WeakPolarHBondContact OH-CD1 3.41Å; Y603-F698 HydrophobicContact CD1-CD2 4.42Å; Y603-F698 AromaticContact CD1-CE2 3.89Å; Y603-F698 HydrophobicContact CD1-CE2 3.89Å; Y603-F698 AromaticContact CD2-CD2 3.78Å; Y603-F698 HydrophobicContact CD2-CD2 3.78Å; Y603-F698 HydrophobicContact CD2-CE2 4.08Å; Y603-F698 HydrophobicContact CE1-CD2 4.2Å; Y603-F698 AromaticContact CE1-CE2 3.58Å; Y603-F698 HydrophobicContact CE1-CE2 3.58Å; Y603-F698 AromaticContact CE2-CD2 3.49Å; Y603-F698 HydrophobicContact CE2-CD2 3.49Å; Y603-F698 VanDerWaalsContact CE2-CD2 3.49Å; Y603-F698 AromaticContact CE2-CE2 3.77Å; Y603-F698 HydrophobicContact CE2-CE2 3.77Å; Y603-F698 HydrophobicContact CG-CD2 4.22Å; Y603-F698 HydrophobicContact CG-CE2 4.11Å; Y603-F698 AromaticContact CZ-CD2 3.71Å; Y603-F698 AromaticContact CZ-CE2 3.5Å; Y603-F698 VanDerWaalsContact CZ-CE2 3.5Å
604	E	92.6	Very high	89.9	Confident	78 Å²	78	49.1 Å²	49.1	36%	0.364	25%	0.246	S	C	.	.	H	α-helix	trans	-56.4	-36.5	178.4	-75.6	169.7	175	0	0	113.5	A600 V602 R607 M615	A600-E604 WeakPolarHBondContact O-CG 3.46Å; A600-E604 PolarHBondContact O-N 3.19Å; V602-E604 VanDerWaalsContact C-N 3.35Å; V602-E604 PolarHBondContact O-N 2.87Å; E604-R607 WeakPolarHBondContact O-CD 3.45Å; E604-R607 WeakPolarHBondContact O-CG 3.43Å; E604-M615 HydrophobicContact CG-CE 3.78Å
605	Q	90.3	Very high	91.1	Very high	103 Å²	103	51.2 Å²	51.2	48%	0.481	26%	0.255	S	S	.	.	H	α-helix	trans	-93.9	-23.4	-177.6	-64.4	-172.9	2	0	0	112.9	K601 V602 Y603 F672	K601-Q605 WeakPolarHBondContact O-CG 3.34Å; K601-Q605 PolarHBondContact O-N 3.15Å; V602-Q605 PolarHBondContact O-N 2.9Å; V602-Q605 VanDerWaalsContact O-N 3.15Å; Y603-Q605 VanDerWaalsContact C-N 3.26Å; Y603-Q605 PolarHBondContact O-N 3.1Å; Q605-F672 HydrophobicContact CB-CE2 4.01Å
606	F	91.6	Very high	91.7	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.018	25%	0.251	C	S	.	.	H	α-helix	trans	-92.2	-9.9	178	-174.8	-125.6	0	0	0	113.4	V602 Y603 G608 S609 C612 D666 L667 A670 I695 F698	V602-F606 WeakPolarHBondContact O-CB 3.31Å; V602-F606 PolarHBondContact O-N 2.84Å; Y603-F606 PolarHBondContact O-N 2.84Å; F606-G608 PolarHBondContact O-N 2.9Å; F606-S609 WeakPolarHBondContact O-CB 3.34Å; F606-S609 PolarHBondContact O-N 2.91Å; F606-C612 HydrophobicContact CD1-CB 3.46Å; F606-C612 VanDerWaalsContact CD1-CB 3.46Å; F606-C612 WeakPolarHBondContact CD1-SG 3.45Å; F606-C612 HydrophobicContact CE1-CB 3.51Å; F606-C612 HydrophobicContact CG-CB 4.15Å; F606-C612 HydrophobicContact CZ-CB 4.26Å; F606-C612 WeakPolarHBondContact O-CB 3.27Å; F606-D666 HydrophobicContact CD2-CB 4.48Å; F606-D666 HydrophobicContact CE2-CB 3.65Å; F606-D666 HydrophobicContact CZ-CB 4.47Å; F606-L667 HydrophobicContact CB-CD1 4.31Å; F606-L667 HydrophobicContact CD1-CD1 4.22Å; F606-L667 HydrophobicContact CD2-CB 4.16Å; F606-L667 HydrophobicContact CD2-CD1 3.81Å; F606-L667 HydrophobicContact CE2-CB 3.79Å; F606-L667 HydrophobicContact CE2-CD1 4.15Å; F606-L667 HydrophobicContact CG-CD1 3.86Å; F606-L667 HydrophobicContact CZ-CB 4.32Å; F606-A670 HydrophobicContact CD2-CB 4.4Å; F606-I695 HydrophobicContact CE1-CG2 3.43Å; F606-I695 VanDerWaalsContact CE1-CG2 3.43Å; F606-I695 HydrophobicContact CZ-CG2 3.56Å; F606-F698 HydrophobicContact CD1-CE1 4.34Å; F606-F698 AromaticContact CD1-CE2 3.94Å; F606-F698 HydrophobicContact CD1-CE2 3.94Å; F606-F698 AromaticContact CD1-CZ 3.52Å; F606-F698 HydrophobicContact CD1-CZ 3.52Å; F606-F698 HydrophobicContact CE1-CE1 4.28Å; F606-F698 HydrophobicContact CE1-CE2 4.43Å; F606-F698 AromaticContact CE1-CZ 3.61Å; F606-F698 HydrophobicContact CE1-CZ 3.61Å
607	R	89.3	Confident	91.9	Very high	210 Å²	210	52.6 Å²	52.6	79%	0.792	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-14.8	-177.5	73.2	-179.7	-168.1	178.2	3.4	117.4	Y603 E604	Y603-R607 WeakPolarHBondContact O-CB 3.34Å; Y603-R607 PolarHBondContact O-N 3.07Å; E604-R607 WeakPolarHBondContact O-CD 3.45Å; E604-R607 WeakPolarHBondContact O-CG 3.43Å
608	G	85.1	Confident	92.1	Very high	75 Å²	75	55.1 Å²	55.1	77%	0.773	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-16.4	176.4	0	0	0	0	0	113.9	F606	F606-G608 PolarHBondContact O-N 2.9Å
609	S	92	Very high	92	Very high	15 Å²	15	51.5 Å²	51.5	11%	0.105	26%	0.262	C	S	.	.	S	Bend	trans	-69	138.4	178.3	-179.4	0	0	0	0	111.5	F606 H611 C612 D666	F606-S609 WeakPolarHBondContact O-CB 3.34Å; F606-S609 PolarHBondContact O-N 2.91Å; S609-H611 PolarHBondContact O-N 2.72Å; S609-H611 VanDerWaalsContact O-N 3.11Å; S609-H611 PolarHBondContact OG-N 2.86Å; S609-C612 PolarHBondContact O-N 3.47Å; S609-D666 WeakPolarHBondContact CA-OD2 3.46Å; S609-D666 WeakPolarHBondContact CB-OD2 3.44Å; S609-D666 WeakPolarHBondContact OG-CB 3.24Å; S609-D666 PolarHBondContact OG-OD2 3Å
610	S	91.8	Very high	91.6	Very high	56 Å²	56	53.9 Å²	53.9	39%	0.392	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-28.3	165.7	155.7	0	0	0	0	112.9	K692	S610-K692 WeakPolarHBondContact O-CE 3.09Å; S610-K692 PolarHBondContact O-NZ 2.92Å; S610-K692 WeakPolarHBondContact OG-CE 3.32Å; S610-K692 PolarHBondContact OG-NZ 2.52Å
611	H	93.9	Very high	90.9	Very high	13 Å²	13	61 Å²	61	6%	0.06	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	9.2	-171.6	-53.9	-87	0	0	0	113.3	S609 A663 I693 Y694 I695	S609-H611 PolarHBondContact O-N 2.72Å; S609-H611 VanDerWaalsContact O-N 3.11Å; S609-H611 PolarHBondContact OG-N 2.86Å; H611-A663 HydrophobicContact CB-CB 3.46Å; H611-A663 VanDerWaalsContact CB-CB 3.46Å; H611-I693 PolarHBondContact ND1-O 3.2Å; H611-Y694 WeakPolarHBondContact O-CA 3.5Å; H611-I695 PolarHBondContact O-N 2.95Å; H611-I695 VanDerWaalsContact O-N 3.1Å
612	C	94	Very high	90.1	Very high	15 Å²	15	57.7 Å²	57.7	10%	0.101	30%	0.302	C	S	.	.			trans	-86.5	123.5	176.5	-176.3	0	0	0	0	111.1	F606 S609	F606-C612 HydrophobicContact CD1-CB 3.46Å; F606-C612 VanDerWaalsContact CD1-CB 3.46Å; F606-C612 WeakPolarHBondContact CD1-SG 3.45Å; F606-C612 HydrophobicContact CE1-CB 3.51Å; F606-C612 HydrophobicContact CG-CB 4.15Å; F606-C612 HydrophobicContact CZ-CB 4.26Å; F606-C612 WeakPolarHBondContact O-CB 3.27Å; S609-C612 PolarHBondContact O-N 3.47Å
613	P	93.8	Very high	89.3	Confident	2 Å²	2	63.2 Å²	63.2	1%	0.013	34%	0.336	C	S	.	.			trans	-63.8	136.3	170	-10.9	20.8	0	0	0	110.9	Y603 M615 E630 L632 Y694 I695 I696	Y603-P613 VanDerWaalsContact CD1-O 3.28Å; Y603-P613 WeakPolarHBondContact CD1-O 3.41Å; Y603-P613 HydrophobicContact CE1-CB 3.96Å; Y603-P613 HydrophobicContact CE1-CG 3.91Å; Y603-P613 VanDerWaalsContact CE1-O 3.31Å; Y603-P613 WeakPolarHBondContact CE1-O 3.49Å; P613-M615 PolarHBondContact O-N 2.91Å; P613-M615 VanDerWaalsContact O-N 3.1Å; P613-E630 WeakPolarHBondContact CA-OE1 3.49Å; P613-L632 HydrophobicContact CB-CD1 3.92Å; P613-L632 HydrophobicContact CG-CD1 3.87Å; P613-Y694 HydrophobicContact CG-CD1 4.44Å; P613-I695 VanDerWaalsContact CD-O 3.25Å; P613-I695 WeakPolarHBondContact CD-O 3.37Å; P613-I695 WeakPolarHBondContact CG-O 3.41Å; P613-I696 HydrophobicContact CG-CG2 3.78Å
614	K	93	Very high	88.9	Confident	139 Å²	139	63.3 Å²	63.3	60%	0.604	34%	0.337	S	S	*	.			trans	-65.5	109.7	178.3	-172.7	176.7	-178.7	171.4	0	111.8	I616 L629 E630	K614-I616 PolarHBondContact O-N 3.17Å; K614-L629 CarbonylContact O-C 3.5Å; K614-L629 WeakPolarHBondContact O-CA 3.48Å; K614-E630 HydrophobicContact CB-CB 4.24Å; K614-E630 HydrophobicContact CB-CG 3.96Å; K614-E630 WeakPolarHBondContact CB-OE1 3.37Å; K614-E630 VanDerWaalsContact CB-OE2 3.24Å; K614-E630 WeakPolarHBondContact CB-OE2 3.31Å; K614-E630 VanDerWaalsContact N-CD 3.31Å; K614-E630 PolarHBondContact N-OE1 2.93Å; K614-E630 PolarHBondContact O-N 3.02Å
615	M	94.6	Very high	88.7	Confident	52 Å²	52	61 Å²	61	26%	0.256	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	128.6	165	-173.6	176	75.8	0	0	110.1	A600 Y603 E604 P613 Y618 L627 L629	A600-M615 HydrophobicContact CB-SD 3.89Å; Y603-M615 HydrophobicContact CD1-CB 4.26Å; Y603-M615 HydrophobicContact CG-CB 4.2Å; E604-M615 HydrophobicContact CG-CE 3.78Å; P613-M615 PolarHBondContact O-N 2.91Å; P613-M615 VanDerWaalsContact O-N 3.1Å; M615-Y618 HydrophobicContact CE-CD1 4.15Å; M615-Y618 HydrophobicContact CE-CE1 4.44Å; M615-Y618 HydrophobicContact SD-CD1 4.07Å; M615-L627 HydrophobicContact CG-CD1 3.76Å; M615-L627 HydrophobicContact SD-CD1 3.54Å; M615-L627 VanDerWaalsContact SD-CD1 3.54Å; M615-L629 HydrophobicContact CB-CD2 3.99Å; M615-L629 HydrophobicContact CG-CD2 4.11Å
616	I	92.8	Very high	88.8	Confident	51 Å²	51	56.2 Å²	56.2	26%	0.262	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-46.9	179.4	-63.1	176.7	0	0	0	110.2	V580 K614 V628	V580-I616 HydrophobicContact CB-CD1 4.14Å; V580-I616 HydrophobicContact CG1-CD1 3.42Å; V580-I616 VanDerWaalsContact CG1-CD1 3.42Å; K614-I616 PolarHBondContact O-N 3.17Å; I616-V628 HydrophobicContact CB-CB 4.36Å; I616-V628 HydrophobicContact CB-CG1 4.09Å; I616-V628 WeakPolarHBondContact CB-O 3.45Å; I616-V628 HydrophobicContact CD1-CG1 4.38Å; I616-V628 HydrophobicContact CG2-CG1 4.31Å; I616-V628 PolarHBondContact N-O 2.81Å
617	T	93.4	Very high	88.9	Confident	58 Å²	58	56 Å²	56	36%	0.356	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.1	175.6	171.1	-164.8	0	0	0	0	110.1	W554 V628	W554-T617 HydrophobicContact CH2-CG2 3.62Å; W554-T617 HydrophobicContact CZ2-CG2 4.11Å; T617-V628 HydrophobicContact CG2-CB 4.02Å; T617-V628 HydrophobicContact CG2-CG2 3.86Å; T617-V628 PolarHBondContact N-O 2.76Å; T617-V628 PolarHBondContact O-N 2.92Å
618	Y	92	Very high	89.1	Confident	78 Å²	78	46 Å²	46	31%	0.306	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	159	161.2	66.8	-89.8	0	0	0	109.8	A600 M615 V620 I626	A600-Y618 HydrophobicContact CB-CD1 3.47Å; A600-Y618 VanDerWaalsContact CB-CD1 3.47Å; A600-Y618 HydrophobicContact CB-CD2 4.42Å; A600-Y618 HydrophobicContact CB-CE1 3.73Å; A600-Y618 HydrophobicContact CB-CG 3.84Å; M615-Y618 HydrophobicContact CE-CD1 4.15Å; M615-Y618 HydrophobicContact CE-CE1 4.44Å; M615-Y618 HydrophobicContact SD-CD1 4.07Å; Y618-V620 HydrophobicContact CD2-CG1 4.14Å; Y618-V620 HydrophobicContact CE2-CG1 4.44Å; Y618-I626 CarbonylContact C-O 3.42Å; Y618-I626 VanDerWaalsContact CA-O 3.28Å; Y618-I626 WeakPolarHBondContact CA-O 3.24Å; Y618-I626 WeakPolarHBondContact CB-O 3.38Å
619	D	87.1	Confident	89.6	Confident	32 Å²	32	43.2 Å²	43.2	17%	0.171	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	131.3	173.6	-161.7	-15.7	0	0	0	109.5	N551 N621 T622 H625 I626	N551-D619 PolarHBondContact ND2-OD2 3.37Å; D619-N621 WeakPolarHBondContact OD1-CB 3.42Å; D619-N621 PolarHBondContact OD1-N 3.3Å; D619-N621 PolarHBondContact OD1-ND2 3.2Å; D619-T622 HydrophobicContact CB-CG2 4.34Å; D619-H625 CarbonylContact O-C 3.21Å; D619-H625 WeakPolarHBondContact O-CA 3.35Å; D619-I626 HydrophobicContact CB-CD1 4.02Å; D619-I626 HydrophobicContact CB-CG1 3.69Å; D619-I626 PolarHBondContact N-O 3.26Å; D619-I626 PolarHBondContact O-N 3.42Å
620	V	83.7	Confident	89.7	Confident	53 Å²	53	45 Å²	45	32%	0.321	24%	0.239	S	C	.	.	S	Bend	trans	-120	13	179.1	-67.9	0	0	0	0	111.8	I596 Y618 H625	I596-V620 HydrophobicContact CG2-CG1 4.29Å; Y618-V620 HydrophobicContact CD2-CG1 4.14Å; Y618-V620 HydrophobicContact CE2-CG1 4.44Å; V620-H625 HydrophobicContact CG1-CB 4.35Å; V620-H625 PolarHBondContact O-CD2 2.91Å
621	N	78.1	Confident	89.8	Confident	148 Å²	148	44.2 Å²	44.2	79%	0.791	23%	0.23	S	C	*	.	S	Bend	trans	-102.8	-21.6	172.7	-45.6	-82.8	0	0	0	111.1	D619	D619-N621 WeakPolarHBondContact OD1-CB 3.42Å; D619-N621 PolarHBondContact OD1-N 3.3Å; D619-N621 PolarHBondContact OD1-ND2 3.2Å
622	T	74.8	Confident	89.7	Confident	26 Å²	26	45 Å²	45	16%	0.16	24%	0.235	C	C	.	.	S	Bend	trans	-70.4	152.5	168.7	52.7	0	0	0	0	111.3	N551 D619 P624 H625 I626	N551-T622 WeakPolarHBondContact OD1-CG2 3.07Å; D619-T622 HydrophobicContact CB-CG2 4.34Å; T622-P624 CarbonylContact C-O 3.37Å; T622-P624 VanDerWaalsContact CB-O 3.25Å; T622-P624 WeakPolarHBondContact CB-O 3.42Å; T622-P624 CarbonylContact O-C 3.53Å; T622-P624 VanDerWaalsContact O-O 3.1Å; T622-P624 PolarHBondContact OG1-O 3.2Å; T622-H625 PolarHBondContact O-CD2 2.86Å; T622-H625 VanDerWaalsContact O-CD2 3.31Å; T622-H625 PolarHBondContact O-N 3.47Å; T622-I626 HydrophobicContact CG2-CD1 4.44Å
623	T	77	Confident	89.5	Confident	116 Å²	116	45.1 Å²	45.1	71%	0.712	24%	0.239	S	C	*	.	S	Bend	trans	-123	105.6	169.4	-64.2	0	0	0	0	108.2
624	P	85.4	Confident	89.2	Confident	5 Å²	5	45.9 Å²	45.9	3%	0.032	24%	0.243	C	C	.	.	S	Bend	cis	-70.4	161.2	6.6	33.8	-40.9	0	0	0	114.8	P543 L544 A584 S585 T622	P543-P624 HydrophobicContact CB-CB 4.04Å; P543-P624 HydrophobicContact CB-CG 4.03Å; P543-P624 WeakPolarHBondContact O-CD 3.44Å; P543-P624 WeakPolarHBondContact O-CG 3.29Å; L544-P624 HydrophobicContact CD2-CG 3.55Å; L544-P624 HydrophobicContact CG-CG 3.87Å; A584-P624 HydrophobicContact CB-CB 4.19Å; A584-P624 HydrophobicContact CB-CG 3.84Å; S585-P624 WeakPolarHBondContact O-CB 3.26Å; T622-P624 CarbonylContact C-O 3.37Å; T622-P624 VanDerWaalsContact CB-O 3.25Å; T622-P624 WeakPolarHBondContact CB-O 3.42Å; T622-P624 CarbonylContact O-C 3.53Å; T622-P624 VanDerWaalsContact O-O 3.1Å; T622-P624 PolarHBondContact OG1-O 3.2Å
625	H	89.2	Confident	89.2	Confident	31 Å²	31	40.6 Å²	40.6	14%	0.144	22%	0.224	C	C	.	.			trans	-68.1	143.6	166.2	-50.8	135.1	0	0	0	109.2	A584 S585 E589 S594 I596 D619 V620 T622	A584-H625 CarbonylContact C-O 3.58Å; A584-H625 VanDerWaalsContact CA-O 3.29Å; A584-H625 WeakPolarHBondContact CA-O 3.4Å; S585-H625 PolarHBondContact N-O 3.15Å; S585-H625 PolarHBondContact OG-N 3.35Å; S585-H625 VanDerWaalsContact OG-N 3.12Å; E589-H625 IonicContact OE2-ND1 2.81Å; S594-H625 WeakPolarHBondContact CB-ND1 3.48Å; S594-H625 PolarHBondContact OG-ND1 2.63Å; I596-H625 HydrophobicContact CB-CB 4.14Å; I596-H625 HydrophobicContact CG1-CB 4.06Å; I596-H625 HydrophobicContact CG2-CB 4.34Å; D619-H625 CarbonylContact O-C 3.21Å; D619-H625 WeakPolarHBondContact O-CA 3.35Å; V620-H625 HydrophobicContact CG1-CB 4.35Å; V620-H625 PolarHBondContact O-CD2 2.91Å; T622-H625 PolarHBondContact O-CD2 2.86Å; T622-H625 VanDerWaalsContact O-CD2 3.31Å; T622-H625 PolarHBondContact O-N 3.47Å
626	I	92	Very high	89	Confident	2 Å²	2	38.2 Å²	38.2	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	148.8	-173.3	61.5	-179.7	0	0	0	113.3	I550 I582 K583 A584 I596 Y618 D619 T622	I550-I626 HydrophobicContact CG2-CD1 3.52Å; I582-I626 HydrophobicContact CG2-CB 4.12Å; I582-I626 HydrophobicContact CG2-CG2 4.13Å; K583-I626 CarbonylContact O-C 3.24Å; K583-I626 WeakPolarHBondContact O-CA 3.37Å; A584-I626 HydrophobicContact CB-CG2 4.02Å; I596-I626 WeakPolarHBondContact CG2-O 3.31Å; Y618-I626 CarbonylContact C-O 3.42Å; Y618-I626 VanDerWaalsContact CA-O 3.28Å; Y618-I626 WeakPolarHBondContact CA-O 3.24Å; Y618-I626 WeakPolarHBondContact CB-O 3.38Å; D619-I626 HydrophobicContact CB-CD1 4.02Å; D619-I626 HydrophobicContact CB-CG1 3.69Å; D619-I626 PolarHBondContact N-O 3.26Å; D619-I626 PolarHBondContact O-N 3.42Å; T622-I626 HydrophobicContact CG2-CD1 4.44Å
627	L	93.3	Very high	88.8	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	122	170.7	171.7	63.8	0	0	0	108.1	I582 K583 I596 E599 A600 Y603 M615 L629	I582-L627 CarbonylContact C-O 3.58Å; I582-L627 WeakPolarHBondContact CA-O 3.42Å; K583-L627 HydrophobicContact CB-CB 4.33Å; K583-L627 PolarHBondContact N-O 3.43Å; K583-L627 PolarHBondContact O-N 3.37Å; I596-L627 HydrophobicContact CD1-CB 4Å; I596-L627 HydrophobicContact CG2-CB 4.13Å; E599-L627 HydrophobicContact CB-CD2 4.29Å; E599-L627 HydrophobicContact CG-CD2 4.2Å; A600-L627 HydrophobicContact CB-CD1 4.33Å; Y603-L627 HydrophobicContact CD2-CD2 4.08Å; Y603-L627 HydrophobicContact CE2-CD2 3.82Å; M615-L627 HydrophobicContact CG-CD1 3.76Å; M615-L627 HydrophobicContact SD-CD1 3.54Å; M615-L627 VanDerWaalsContact SD-CD1 3.54Å; L627-L629 HydrophobicContact CD1-CD2 3.91Å; L627-L629 HydrophobicContact CD2-CD1 4.45Å; L627-L629 HydrophobicContact CD2-CD2 4.16Å; L627-L629 HydrophobicContact CD2-CG 4.48Å; L627-L629 HydrophobicContact CG-CD2 3.82Å; L627-L629 HydrophobicContact CG-CG 4.1Å
628	V	94.9	Very high	88.5	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	122.2	-177.7	-170.4	0	0	0	0	109.1	W554 V580 A581 I582 I616 T617	W554-V628 HydrophobicContact CH2-CG2 4.29Å; W554-V628 HydrophobicContact CZ2-CG1 4.17Å; W554-V628 HydrophobicContact CZ2-CG2 4.3Å; W554-V628 HydrophobicContact CZ3-CG2 4.44Å; V580-V628 HydrophobicContact CB-CG1 3.88Å; V580-V628 HydrophobicContact CG1-CG1 4.32Å; V580-V628 HydrophobicContact CG2-CG1 3.79Å; A581-V628 WeakPolarHBondContact O-CA 3.35Å; I582-V628 HydrophobicContact CD1-CG2 4.39Å; I582-V628 HydrophobicContact CG1-CG1 4.25Å; I582-V628 HydrophobicContact CG1-CG2 4.21Å; I616-V628 HydrophobicContact CB-CB 4.36Å; I616-V628 HydrophobicContact CB-CG1 4.09Å; I616-V628 WeakPolarHBondContact CB-O 3.45Å; I616-V628 HydrophobicContact CD1-CG1 4.38Å; I616-V628 HydrophobicContact CG2-CG1 4.31Å; I616-V628 PolarHBondContact N-O 2.81Å; T617-V628 HydrophobicContact CG2-CB 4.02Å; T617-V628 HydrophobicContact CG2-CG2 3.86Å; T617-V628 PolarHBondContact N-O 2.76Å; T617-V628 PolarHBondContact O-N 2.92Å
629	L	94.8	Very high	88.2	Confident	16 Å²	16	36.2 Å²	36.2	8%	0.084	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	164.6	-176.3	-53.2	175.3	0	0	0	110.2	V580 A581 Y603 K614 M615 L627	V580-L629 WeakPolarHBondContact CA-O 3.44Å; V580-L629 WeakPolarHBondContact CB-O 3.44Å; A581-L629 HydrophobicContact CB-CB 4.38Å; A581-L629 PolarHBondContact N-O 2.82Å; A581-L629 PolarHBondContact O-N 2.98Å; Y603-L629 HydrophobicContact CD1-CD2 4.2Å; Y603-L629 HydrophobicContact CD2-CD2 4.27Å; Y603-L629 HydrophobicContact CE1-CD1 4.41Å; Y603-L629 HydrophobicContact CE1-CD2 3.84Å; Y603-L629 HydrophobicContact CE2-CD1 4.21Å; Y603-L629 HydrophobicContact CE2-CD2 3.94Å; Y603-L629 HydrophobicContact CG-CD2 4.42Å; Y603-L629 VanDerWaalsContact OH-CD1 3.29Å; Y603-L629 WeakPolarHBondContact OH-CD1 3.41Å; K614-L629 CarbonylContact O-C 3.5Å; K614-L629 WeakPolarHBondContact O-CA 3.48Å; M615-L629 HydrophobicContact CB-CD2 3.99Å; M615-L629 HydrophobicContact CG-CD2 4.11Å; L627-L629 HydrophobicContact CD1-CD2 3.91Å; L627-L629 HydrophobicContact CD2-CD1 4.45Å; L627-L629 HydrophobicContact CD2-CD2 4.16Å; L627-L629 HydrophobicContact CD2-CG 4.48Å; L627-L629 HydrophobicContact CG-CD2 3.82Å; L627-L629 HydrophobicContact CG-CG 4.1Å
630	E	93.7	Very high	88	Confident	53 Å²	53	36.6 Å²	36.6	25%	0.248	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	146.9	163.8	71.2	-168.5	164.9	0	0	111.5	P613 K614 L632	P613-E630 WeakPolarHBondContact CA-OE1 3.49Å; K614-E630 HydrophobicContact CB-CB 4.24Å; K614-E630 HydrophobicContact CB-CG 3.96Å; K614-E630 WeakPolarHBondContact CB-OE1 3.37Å; K614-E630 VanDerWaalsContact CB-OE2 3.24Å; K614-E630 WeakPolarHBondContact CB-OE2 3.31Å; K614-E630 VanDerWaalsContact N-CD 3.31Å; K614-E630 PolarHBondContact N-OE1 2.93Å; K614-E630 PolarHBondContact O-N 3.02Å; E630-L632 HydrophobicContact CG-CD2 4.23Å
631	L	93.5	Very high	88	Confident	39 Å²	39	42.4 Å²	42.4	20%	0.204	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-78.6	123	173.6	-174.5	68.1	0	0	0	109.5	I560 K570 A581 S686	I560-L631 HydrophobicContact CD1-CD1 3.78Å; K570-L631 HydrophobicContact CD-CD2 4.24Å; K570-L631 HydrophobicContact CG-CD1 4.48Å; K570-L631 HydrophobicContact CG-CD2 4.08Å; A581-L631 HydrophobicContact CB-CD1 4.24Å; L631-S686 PolarHBondContact O-OG 2.68Å
632	L	92.8	Very high	88.1	Confident	29 Å²	29	40.3 Å²	40.3	15%	0.152	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-100.6	165	172.7	-63.4	176	0	0	0	110.4	P613 E630 A683 Y694 I696	P613-L632 HydrophobicContact CB-CD1 3.92Å; P613-L632 HydrophobicContact CG-CD1 3.87Å; E630-L632 HydrophobicContact CG-CD2 4.23Å; L632-A683 HydrophobicContact CB-CB 4.31Å; L632-A683 HydrophobicContact CD1-CB 4.33Å; L632-Y694 HydrophobicContact CD1-CD1 4.22Å; L632-Y694 HydrophobicContact CD1-CD2 4.41Å; L632-Y694 HydrophobicContact CD1-CG 3.85Å; L632-Y694 HydrophobicContact CD2-CD1 4.1Å; L632-Y694 HydrophobicContact CD2-CD2 3.94Å; L632-Y694 HydrophobicContact CD2-CE1 4.18Å; L632-Y694 HydrophobicContact CD2-CE2 4.05Å; L632-Y694 HydrophobicContact CD2-CG 3.97Å; L632-I696 HydrophobicContact CD1-CG2 3.96Å
633	G	89	Confident	88	Confident	18 Å²	18	41.2 Å²	41.2	19%	0.186	22%	0.215	C	C	.	.			trans	-72.6	-171.3	170.8	0	0	0	0	0	113	V684	G633-V684 VanDerWaalsContact CA-O 3.32Å; G633-V684 WeakPolarHBondContact CA-O 3.48Å; G633-V684 PolarHBondContact N-O 2.66Å
634	P	88.6	Confident	87.6	Confident	17 Å²	17	45 Å²	45	11%	0.11	22%	0.221	C	C	.	.			trans	-70.3	155.7	-168.1	-20.7	33.8	0	0	0	114.1	Y638 L639 V684 L832 E835	P634-Y638 HydrophobicContact CB-CD1 3.32Å; P634-Y638 HydrophobicContact CB-CE1 3.79Å; P634-Y638 HydrophobicContact CB-CG 4.06Å; P634-Y638 HydrophobicContact CG-CD1 3.95Å; P634-Y638 HydrophobicContact CG-CE1 3.89Å; P634-L639 HydrophobicContact CB-CD2 4.05Å; P634-L639 HydrophobicContact CB-CG 4.22Å; P634-L639 HydrophobicContact CG-CD2 4.24Å; P634-V684 PolarHBondContact O-N 2.67Å; P634-L832 VanDerWaalsContact CD-CD2 3.45Å; P634-L832 HydrophobicContact CG-CD2 4Å; P634-E835 WeakPolarHBondContact CD-OE2 3.4Å; P634-E835 WeakPolarHBondContact CG-OE1 3.48Å; P634-E835 WeakPolarHBondContact CG-OE2 3.28Å
635	S	91.8	Very high	86.5	Confident	29 Å²	29	47.6 Å²	47.6	20%	0.203	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-66.9	151.3	174	66.8	0	0	0	0	112.8	S637 Y638 L639 F682	S635-S637 PolarHBondContact O-N 2.77Å; S635-S637 VanDerWaalsContact O-N 3.13Å; S635-Y638 WeakPolarHBondContact O-CA 3.39Å; S635-Y638 WeakPolarHBondContact O-CB 3.49Å; S635-Y638 PolarHBondContact O-N 3.21Å; S635-L639 PolarHBondContact O-N 2.87Å; S635-L639 VanDerWaalsContact O-N 3.09Å; S635-F682 CarbonylContact C-O 3.59Å; S635-F682 WeakPolarHBondContact CA-O 3.27Å; S635-F682 WeakPolarHBondContact CB-O 3.28Å
636	L	90.6	Very high	85.3	Confident	2 Å²	2	55 Å²	55	1%	0.01	27%	0.272	C	S	.	.	H	α-helix	trans	-54.2	-35.3	174.5	-57.7	-178.8	0	0	0	111.3	Y638 L639 V640 I656 P679 F682 V684 I693 M749 W828	L636-Y638 VanDerWaalsContact C-N 3.26Å; L636-Y638 PolarHBondContact O-N 3.15Å; L636-L639 HydrophobicContact CD2-CD1 4.49Å; L636-L639 PolarHBondContact O-N 2.81Å; L636-V640 WeakPolarHBondContact O-CB 3.37Å; L636-V640 WeakPolarHBondContact O-CG2 3.36Å; L636-V640 PolarHBondContact O-N 3.34Å; L636-I656 HydrophobicContact CD1-CG2 3.8Å; L636-P679 CarbonylContact C-O 3.48Å; L636-P679 HydrophobicContact CB-CB 4.23Å; L636-P679 WeakPolarHBondContact CB-O 3.4Å; L636-P679 PolarHBondContact N-O 3.27Å; L636-F682 HydrophobicContact CD1-CB 3.62Å; L636-F682 HydrophobicContact CD1-CG 4.34Å; L636-F682 HydrophobicContact CG-CB 3.87Å; L636-F682 PolarHBondContact N-O 2.86Å; L636-V684 HydrophobicContact CD2-CG1 4.37Å; L636-I693 HydrophobicContact CD1-CD1 4.32Å; L636-I693 HydrophobicContact CD1-CG2 4.49Å; L636-I693 HydrophobicContact CD2-CD1 4.06Å; L636-I693 HydrophobicContact CD2-CG1 4.35Å; L636-M749 HydrophobicContact CD1-CE 4.07Å; L636-W828 HydrophobicContact CD2-CH2 3.74Å; L636-W828 HydrophobicContact CD2-CZ2 3.85Å
637	S	89.1	Confident	84.8	Confident	52 Å²	52	57 Å²	57	36%	0.364	29%	0.288	S	S	.	.	H	α-helix	trans	-61.3	-30.3	175.2	-168.3	0	0	0	0	113.8	S635 K641 P679	S635-S637 PolarHBondContact O-N 2.77Å; S635-S637 VanDerWaalsContact O-N 3.13Å; S637-K641 VanDerWaalsContact O-CB 3.27Å; S637-K641 WeakPolarHBondContact O-CB 3.34Å; S637-P679 PolarHBondContact N-O 3.21Å
638	Y	87.2	Confident	84.4	Confident	92 Å²	92	57.8 Å²	57.8	36%	0.361	29%	0.292	S	S	.	.	H	α-helix	trans	-80.3	-45.3	175.8	175.3	-94	0	0	0	110.7	P634 S635 L636 K641 K642	P634-Y638 HydrophobicContact CB-CD1 3.32Å; P634-Y638 HydrophobicContact CB-CE1 3.79Å; P634-Y638 HydrophobicContact CB-CG 4.06Å; P634-Y638 HydrophobicContact CG-CD1 3.95Å; P634-Y638 HydrophobicContact CG-CE1 3.89Å; S635-Y638 WeakPolarHBondContact O-CA 3.39Å; S635-Y638 WeakPolarHBondContact O-CB 3.49Å; S635-Y638 PolarHBondContact O-N 3.21Å; L636-Y638 VanDerWaalsContact C-N 3.26Å; L636-Y638 PolarHBondContact O-N 3.15Å; Y638-K641 CarbonylContact O-C 3.49Å; Y638-K641 WeakPolarHBondContact O-CB 3.04Å; Y638-K641 PolarHBondContact O-N 3.41Å; Y638-K642 HydrophobicContact CD1-CG 4.09Å; Y638-K642 HydrophobicContact CE1-CD 4.47Å; Y638-K642 HydrophobicContact CE1-CG 3.99Å; Y638-K642 HydrophobicContact CE2-CG 4.45Å; Y638-K642 HydrophobicContact CG-CG 4.44Å; Y638-K642 WeakPolarHBondContact O-CB 3.12Å; Y638-K642 VanDerWaalsContact O-CG 3.31Å; Y638-K642 WeakPolarHBondContact O-CG 3.41Å; Y638-K642 PolarHBondContact O-N 3.48Å; Y638-K642 VanDerWaalsContact OH-CE 3.31Å; Y638-K642 WeakPolarHBondContact OH-CE 3.35Å; Y638-K642 PolarHBondContact OH-NZ 3.34Å
639	L	85	Confident	84	Confident	1 Å²	1	61.5 Å²	61.5	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-61.9	-48.5	-179.1	-60.6	170.7	0	0	0	111.6	P634 S635 L636 K641 K642 L643 V684 W828 L832	P634-L639 HydrophobicContact CB-CD2 4.05Å; P634-L639 HydrophobicContact CB-CG 4.22Å; P634-L639 HydrophobicContact CG-CD2 4.24Å; S635-L639 PolarHBondContact O-N 2.87Å; S635-L639 VanDerWaalsContact O-N 3.09Å; L636-L639 HydrophobicContact CD2-CD1 4.49Å; L636-L639 PolarHBondContact O-N 2.81Å; L639-K641 VanDerWaalsContact C-N 3.3Å; L639-K641 PolarHBondContact O-N 3.22Å; L639-K642 PolarHBondContact O-N 3.01Å; L639-L643 PolarHBondContact O-N 2.85Å; L639-V684 HydrophobicContact CD1-CG1 3.7Å; L639-V684 HydrophobicContact CD1-CG2 4.04Å; L639-W828 HydrophobicContact CB-CD2 3.92Å; L639-W828 HydrophobicContact CB-CE3 3.68Å; L639-W828 HydrophobicContact CB-CG 4.33Å; L639-W828 HydrophobicContact CB-CZ3 4.16Å; L639-W828 HydrophobicContact CD1-CD2 3.81Å; L639-W828 HydrophobicContact CD1-CE3 4.3Å; L639-W828 HydrophobicContact CD1-CG 4.09Å; L639-W828 HydrophobicContact CD1-CZ2 4.14Å; L639-W828 HydrophobicContact CD2-CB 4.28Å; L639-W828 HydrophobicContact CD2-CG 4.26Å; L639-W828 HydrophobicContact CG-CD2 4.32Å; L639-W828 HydrophobicContact CG-CG 4.45Å; L639-L832 HydrophobicContact CD2-CD2 3.93Å
640	V	83.9	Confident	83.6	Confident	39 Å²	39	62.5 Å²	62.5	24%	0.236	32%	0.32	C	S	.	.	H	α-helix	trans	-59.5	-39.5	174.6	174.1	0	0	0	0	111.6	L636 K642 L648 L753	L636-V640 WeakPolarHBondContact O-CB 3.37Å; L636-V640 WeakPolarHBondContact O-CG2 3.36Å; L636-V640 PolarHBondContact O-N 3.34Å; V640-K642 VanDerWaalsContact C-N 3.34Å; V640-K642 PolarHBondContact O-N 3.28Å; V640-L648 HydrophobicContact CG2-CD1 4.35Å; V640-L753 HydrophobicContact CB-CD2 4.49Å; V640-L753 HydrophobicContact CG1-CD2 4.3Å; V640-L753 HydrophobicContact CG2-CD2 3.41Å; V640-L753 VanDerWaalsContact CG2-CD2 3.41Å
641	K	83.4	Confident	83.3	Confident	176 Å²	176	60 Å²	60	77%	0.765	31%	0.308	S	S	*	.	H	α-helix	trans	-68.3	-30.8	175.9	-177.8	-174.9	172.3	-166.3	0	112.5	S637 Y638 L639	S637-K641 VanDerWaalsContact O-CB 3.27Å; S637-K641 WeakPolarHBondContact O-CB 3.34Å; Y638-K641 CarbonylContact O-C 3.49Å; Y638-K641 WeakPolarHBondContact O-CB 3.04Å; Y638-K641 PolarHBondContact O-N 3.41Å; L639-K641 VanDerWaalsContact C-N 3.3Å; L639-K641 PolarHBondContact O-N 3.22Å
642	K	79.6	Confident	83	Confident	104 Å²	104	59 Å²	59	45%	0.452	30%	0.303	S	S	.	.	H	α-helix	trans	-80.3	-33.3	179.7	-75.7	-88.2	-178.5	136.7	0	113.3	Y638 L639 V640 K644 L831	Y638-K642 HydrophobicContact CD1-CG 4.09Å; Y638-K642 HydrophobicContact CE1-CD 4.47Å; Y638-K642 HydrophobicContact CE1-CG 3.99Å; Y638-K642 HydrophobicContact CE2-CG 4.45Å; Y638-K642 HydrophobicContact CG-CG 4.44Å; Y638-K642 WeakPolarHBondContact O-CB 3.12Å; Y638-K642 VanDerWaalsContact O-CG 3.31Å; Y638-K642 WeakPolarHBondContact O-CG 3.41Å; Y638-K642 PolarHBondContact O-N 3.48Å; Y638-K642 VanDerWaalsContact OH-CE 3.31Å; Y638-K642 WeakPolarHBondContact OH-CE 3.35Å; Y638-K642 PolarHBondContact OH-NZ 3.34Å; L639-K642 PolarHBondContact O-N 3.01Å; V640-K642 VanDerWaalsContact C-N 3.34Å; V640-K642 PolarHBondContact O-N 3.28Å; K642-K644 PolarHBondContact O-N 3.31Å; K642-K644 VanDerWaalsContact O-N 3.15Å; K642-L831 HydrophobicContact CB-CD1 3.73Å
643	L	74.4	Confident	82.8	Confident	44 Å²	44	57.7 Å²	57.7	23%	0.23	30%	0.296	C	S	.	.	S	Bend	trans	-64	-16	-179.1	-78.9	177.7	0	0	0	114.6	L639 S645 L648 W828 L831	L639-L643 PolarHBondContact O-N 2.85Å; L643-S645 PolarHBondContact O-N 3.4Å; L643-L648 HydrophobicContact CD1-CD2 3.58Å; L643-W828 HydrophobicContact CD1-CE3 3.82Å; L643-W828 HydrophobicContact CD1-CZ3 4.49Å; L643-W828 HydrophobicContact CD2-CB 4.41Å; L643-L831 HydrophobicContact CD2-CD1 4.21Å; L643-L831 HydrophobicContact CG-CD1 4.44Å
644	K	67.4	Low	82.8	Confident	196 Å²	196	56.8 Å²	56.8	85%	0.852	29%	0.287	S	S	*	.			trans	59.9	-15.1	-179.2	-59.4	175.9	-176.1	171.6	0	116.5	K642	K642-K644 PolarHBondContact O-N 3.31Å; K642-K644 VanDerWaalsContact O-N 3.15Å
645	S	62.3	Low	82.9	Confident	59 Å²	59	56.1 Å²	56.1	41%	0.413	28%	0.283	S	S	.	.			trans	-59.2	155.5	170.1	71	0	0	0	0	110	L643 A647	L643-S645 PolarHBondContact O-N 3.4Å; S645-A647 VanDerWaalsContact CB-O 3.25Å; S645-A647 WeakPolarHBondContact CB-O 3.1Å; S645-A647 PolarHBondContact OG-O 2.97Å
646	K	64.9	Low	82.9	Confident	188 Å²	188	54.8 Å²	54.8	82%	0.817	27%	0.274	S	S	*	.	S	Bend	trans	-77	-52.5	168.9	-69.9	177.4	-178.7	172.5	0	109.2	G756	K646-G756 WeakPolarHBondContact O-CA 3.27Å
647	A	81	Confident	82.9	Confident	43 Å²	43	54.7 Å²	54.7	36%	0.355	27%	0.273	S	S	.	.	S	Bend	trans	-110	164	-179.5	0	0	0	0	0	112.4	S645 L753 L754	S645-A647 VanDerWaalsContact CB-O 3.25Å; S645-A647 WeakPolarHBondContact CB-O 3.1Å; S645-A647 PolarHBondContact OG-O 2.97Å; A647-L753 WeakPolarHBondContact CA-O 3.46Å; A647-L754 WeakPolarHBondContact CB-O 3.29Å
648	L	85.3	Confident	83	Confident	17 Å²	17	53.1 Å²	53.1	9%	0.089	26%	0.26	C	S	.	.			trans	-105.3	158.3	165.3	-60	-176.9	0	0	0	110.8	V640 L643 V653 I656 L753 W828	V640-L648 HydrophobicContact CG2-CD1 4.35Å; L643-L648 HydrophobicContact CD1-CD2 3.58Å; L648-V653 HydrophobicContact CB-CG2 3.62Å; L648-V653 HydrophobicContact CD1-CG2 4.34Å; L648-I656 HydrophobicContact CD1-CD1 3.76Å; L648-L753 HydrophobicContact CD1-CB 4.47Å; L648-L753 HydrophobicContact CD1-CD2 4.05Å; L648-L753 PolarHBondContact N-O 2.99Å; L648-W828 HydrophobicContact CD1-CZ3 4.23Å
649	P	86	Confident	83.4	Confident	78 Å²	78	49.5 Å²	49.5	51%	0.506	25%	0.246	S	C	.	.			trans	-59.5	149.6	174.9	-22.2	33.4	0	0	0	113	G651 I652 V653	P649-G651 PolarHBondContact O-N 3.11Å; P649-I652 HydrophobicContact CB-CB 4.18Å; P649-I652 HydrophobicContact CB-CG1 3.97Å; P649-I652 HydrophobicContact CG-CB 4.41Å; P649-I652 HydrophobicContact CG-CG1 4.06Å; P649-I652 PolarHBondContact O-N 3.4Å; P649-V653 PolarHBondContact O-N 3.13Å
650	K	85.7	Confident	83.8	Confident	37 Å²	37	49.5 Å²	49.5	16%	0.161	25%	0.246	C	C	.	.	H	α-helix	trans	-61.6	-45.5	-170.8	180	-164.5	-171.8	-176	0	111.3	V653 A654 L754 D786 I787 V814 E818	K650-V653 PolarHBondContact O-N 2.74Å; K650-A654 PolarHBondContact O-N 2.82Å; K650-A654 VanDerWaalsContact O-N 3.1Å; K650-L754 HydrophobicContact CB-CD2 4.34Å; K650-D786 WeakPolarHBondContact CE-O 3.31Å; K650-D786 PolarHBondContact NZ-O 2.89Å; K650-D786 IonicContact NZ-OD2 3.34Å; K650-D786 PolarHBondContact NZ-OD2 2.87Å; K650-I787 HydrophobicContact CD-CG1 4.41Å; K650-I787 VanDerWaalsContact CE-CG1 3.41Å; K650-I787 HydrophobicContact CG-CD1 3.73Å; K650-I787 HydrophobicContact CG-CG1 4.14Å; K650-V814 HydrophobicContact CD-CG1 4.23Å; K650-V814 HydrophobicContact CG-CG1 3.82Å; K650-E818 HydrophobicContact CB-CG 4.21Å; K650-E818 WeakPolarHBondContact CB-OE2 3.08Å; K650-E818 HydrophobicContact CD-CG 4.34Å; K650-E818 HydrophobicContact CG-CG 4.4Å; K650-E818 PolarHBondContact N-OE2 3.39Å
651	G	87.5	Confident	84.3	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-65.6	-38.3	175.5	0	0	0	0	0	114.2	P649 A654 A655 E818	P649-G651 PolarHBondContact O-N 3.11Å; G651-A654 WeakPolarHBondContact O-CB 3.39Å; G651-A654 PolarHBondContact O-N 2.72Å; G651-A655 PolarHBondContact O-N 3.24Å; G651-E818 VanDerWaalsContact CA-CB 3.5Å; G651-E818 VanDerWaalsContact N-CG 3.35Å; G651-E818 PolarHBondContact N-OE2 2.69Å
652	I	88.2	Confident	84.8	Confident	19 Å²	19	40.6 Å²	40.6	10%	0.097	21%	0.205	C	C	.	.	H	α-helix	trans	-64.4	-41.5	177.8	-65.3	-57.6	0	0	0	110.8	P649 A655 I656 V820 T824 F826	P649-I652 HydrophobicContact CB-CB 4.18Å; P649-I652 HydrophobicContact CB-CG1 3.97Å; P649-I652 HydrophobicContact CG-CB 4.41Å; P649-I652 HydrophobicContact CG-CG1 4.06Å; P649-I652 PolarHBondContact O-N 3.4Å; I652-A655 PolarHBondContact O-N 3.27Å; I652-I656 HydrophobicContact CG2-CD1 3.86Å; I652-I656 WeakPolarHBondContact O-CD1 3.29Å; I652-I656 VanDerWaalsContact O-CG1 3.23Å; I652-I656 WeakPolarHBondContact O-CG1 3.47Å; I652-I656 PolarHBondContact O-N 2.75Å; I652-V820 HydrophobicContact CD1-CG1 4.36Å; I652-V820 HydrophobicContact CD1-CG2 4.14Å; I652-T824 HydrophobicContact CD1-CG2 3.94Å; I652-F826 HydrophobicContact CG2-CB 4.43Å; I652-F826 HydrophobicContact CG2-CD1 4.21Å
653	V	89.2	Confident	85.6	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-66.2	-39.5	173.5	-177.6	0	0	0	0	111.6	L648 P649 K650 A655 I656 I657 L753 L754	L648-V653 HydrophobicContact CB-CG2 3.62Å; L648-V653 HydrophobicContact CD1-CG2 4.34Å; P649-V653 PolarHBondContact O-N 3.13Å; K650-V653 PolarHBondContact O-N 2.74Å; V653-A655 VanDerWaalsContact C-N 3.33Å; V653-A655 PolarHBondContact O-N 3.13Å; V653-I656 PolarHBondContact O-N 3.48Å; V653-I657 HydrophobicContact CG1-CG1 3.76Å; V653-I657 WeakPolarHBondContact O-CB 3.34Å; V653-I657 VanDerWaalsContact O-CG1 3.24Å; V653-I657 WeakPolarHBondContact O-CG1 3.22Å; V653-I657 PolarHBondContact O-N 3.04Å; V653-L753 HydrophobicContact CB-CB 4.44Å; V653-L753 HydrophobicContact CG1-CB 3.83Å; V653-L753 HydrophobicContact CG1-CD1 3.97Å; V653-L753 HydrophobicContact CG2-CB 3.68Å; V653-L754 HydrophobicContact CB-CD2 3.85Å; V653-L754 HydrophobicContact CB-CG 3.97Å; V653-L754 HydrophobicContact CG1-CD1 4.14Å; V653-L754 HydrophobicContact CG1-CD2 4.34Å; V653-L754 HydrophobicContact CG1-CG 3.9Å; V653-L754 HydrophobicContact CG2-CD2 3.76Å; V653-L754 HydrophobicContact CG2-CG 3.91Å
654	A	88.7	Confident	86.6	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.1	-44.3	177.1	0	0	0	0	0	111.9	K650 G651 I657 K658 L811 V814 M815	K650-A654 PolarHBondContact O-N 2.82Å; K650-A654 VanDerWaalsContact O-N 3.1Å; G651-A654 WeakPolarHBondContact O-CB 3.39Å; G651-A654 PolarHBondContact O-N 2.72Å; A654-I657 PolarHBondContact O-N 3.34Å; A654-K658 WeakPolarHBondContact O-CB 3.39Å; A654-K658 PolarHBondContact O-N 2.87Å; A654-L811 HydrophobicContact CB-CD2 4.18Å; A654-V814 HydrophobicContact CB-CB 4.03Å; A654-V814 HydrophobicContact CB-CG1 3.76Å; A654-M815 HydrophobicContact CB-CG 3.72Å
655	A	90.1	Very high	87.9	Confident	3 Å²	3	26.2 Å²	26.2	3%	0.025	14%	0.141	C	C	.	.	H	α-helix	trans	-64.2	-43.1	175.6	0	0	0	0	0	113.4	G651 I652 V653 K658 Q659 M815 V820 F826	G651-A655 PolarHBondContact O-N 3.24Å; I652-A655 PolarHBondContact O-N 3.27Å; V653-A655 VanDerWaalsContact C-N 3.33Å; V653-A655 PolarHBondContact O-N 3.13Å; A655-K658 PolarHBondContact O-N 3.31Å; A655-Q659 PolarHBondContact O-N 2.91Å; A655-M815 HydrophobicContact CB-CE 3.86Å; A655-M815 HydrophobicContact CB-CG 4.22Å; A655-M815 HydrophobicContact CB-SD 3.95Å; A655-V820 HydrophobicContact CB-CG1 3.88Å; A655-F826 HydrophobicContact CB-CE1 3.86Å
656	I	91	Very high	89.4	Confident	1 Å²	1	26 Å²	26	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-59.2	-48.5	174.4	-68.7	160.1	0	0	0	110.7	L636 L648 I652 V653 Q659 C660 I693 L753 F826 W828	L636-I656 HydrophobicContact CD1-CG2 3.8Å; L648-I656 HydrophobicContact CD1-CD1 3.76Å; I652-I656 HydrophobicContact CG2-CD1 3.86Å; I652-I656 WeakPolarHBondContact O-CD1 3.29Å; I652-I656 VanDerWaalsContact O-CG1 3.23Å; I652-I656 WeakPolarHBondContact O-CG1 3.47Å; I652-I656 PolarHBondContact O-N 2.75Å; V653-I656 PolarHBondContact O-N 3.48Å; I656-Q659 PolarHBondContact O-N 3.22Å; I656-C660 PolarHBondContact O-N 3.23Å; I656-C660 PolarHBondContact O-SG 3.02Å; I656-I693 HydrophobicContact CB-CD1 4.24Å; I656-I693 HydrophobicContact CG1-CD1 4.38Å; I656-I693 HydrophobicContact CG2-CD1 3.92Å; I656-L753 HydrophobicContact CG2-CD1 4.02Å; I656-F826 HydrophobicContact CD1-CD1 4.31Å; I656-F826 HydrophobicContact CG1-CD1 3.72Å; I656-F826 HydrophobicContact CG1-CE1 3.65Å; I656-F826 HydrophobicContact CG1-CG 4.39Å; I656-F826 HydrophobicContact CG1-CZ 4.25Å; I656-W828 HydrophobicContact CD1-CH2 3.45Å; I656-W828 VanDerWaalsContact CD1-CH2 3.45Å; I656-W828 HydrophobicContact CD1-CZ2 4.34Å; I656-W828 HydrophobicContact CD1-CZ3 4.01Å; I656-W828 HydrophobicContact CG1-CH2 3.87Å; I656-W828 HydrophobicContact CG1-CZ2 4.36Å
657	I	91.9	Very high	90.8	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-71.4	-30.9	-175.9	-65.8	-66	0	0	0	111.3	V653 A654 C660 L661 L746 M749 A750 L753 F792 L811	V653-I657 HydrophobicContact CG1-CG1 3.76Å; V653-I657 WeakPolarHBondContact O-CB 3.34Å; V653-I657 VanDerWaalsContact O-CG1 3.24Å; V653-I657 WeakPolarHBondContact O-CG1 3.22Å; V653-I657 PolarHBondContact O-N 3.04Å; A654-I657 PolarHBondContact O-N 3.34Å; I657-C660 PolarHBondContact O-N 2.92Å; I657-L661 WeakPolarHBondContact O-CB 3.46Å; I657-L661 PolarHBondContact O-N 2.87Å; I657-L746 HydrophobicContact CD1-CD1 3.89Å; I657-L746 HydrophobicContact CD1-CG 4.47Å; I657-L746 HydrophobicContact CG2-CD1 4.37Å; I657-L746 HydrophobicContact CG2-CD2 4.3Å; I657-L746 HydrophobicContact CG2-CG 4.2Å; I657-M749 HydrophobicContact CD1-CE 3.81Å; I657-M749 HydrophobicContact CD1-CG 4.17Å; I657-A750 HydrophobicContact CD1-CB 3.75Å; I657-A750 HydrophobicContact CG1-CB 3.78Å; I657-L753 HydrophobicContact CD1-CD1 4.26Å; I657-F792 HydrophobicContact CG2-CE1 3.88Å; I657-F792 HydrophobicContact CG2-CZ 3.82Å; I657-L811 HydrophobicContact CB-CD2 4.18Å; I657-L811 HydrophobicContact CG2-CD1 4.05Å; I657-L811 HydrophobicContact CG2-CD2 3.93Å
658	K	91.5	Very high	91.4	Very high	18 Å²	18	15.1 Å²	15.1	8%	0.078	8%	0.08	C	C	.	.	H	α-helix	trans	-60.2	-54.3	172.1	-172	-172.6	177	-73.7	0	111.4	A654 A655 C660 L661 D662 D808 L811 V812 M815 E822	A654-K658 WeakPolarHBondContact O-CB 3.39Å; A654-K658 PolarHBondContact O-N 2.87Å; A655-K658 PolarHBondContact O-N 3.31Å; K658-C660 PolarHBondContact O-N 2.88Å; K658-L661 CarbonylContact O-C 3.56Å; K658-L661 WeakPolarHBondContact O-CA 3.3Å; K658-L661 VanDerWaalsContact O-CB 3.27Å; K658-L661 WeakPolarHBondContact O-CB 3.22Å; K658-L661 PolarHBondContact O-N 2.92Å; K658-D662 IonicContact NZ-OD1 2.71Å; K658-D662 IonicContact NZ-OD2 3.44Å; K658-D662 PolarHBondContact NZ-OD2 2.85Å; K658-D662 PolarHBondContact O-N 2.97Å; K658-D808 WeakPolarHBondContact CE-OD2 3.47Å; K658-L811 HydrophobicContact CB-CB 4.33Å; K658-L811 HydrophobicContact CB-CD1 4.15Å; K658-V812 HydrophobicContact CD-CG2 3.97Å; K658-M815 HydrophobicContact CD-SD 4.36Å; K658-E822 WeakPolarHBondContact CE-OE1 3.29Å; K658-E822 IonicContact NZ-OE1 2.77Å; K658-E822 PolarHBondContact NZ-OE1 2.89Å
659	Q	93.9	Very high	91.7	Very high	17 Å²	17	17.5 Å²	17.5	8%	0.079	9%	0.093	C	C	.	.	H	α-helix	trans	-63.4	-30.2	179.8	-62.3	-169.7	29.2	0	0	112.7	A655 I656 A663 S691 I693	A655-Q659 PolarHBondContact O-N 2.91Å; I656-Q659 PolarHBondContact O-N 3.22Å; Q659-A663 WeakPolarHBondContact O-CB 3.12Å; Q659-A663 PolarHBondContact O-N 3.12Å; Q659-A663 VanDerWaalsContact O-N 3.07Å; Q659-S691 PolarHBondContact NE2-O 2.75Å; Q659-S691 PolarHBondContact OE1-O 2.87Å; Q659-I693 HydrophobicContact CB-CB 4.09Å; Q659-I693 HydrophobicContact CB-CD1 4.29Å; Q659-I693 HydrophobicContact CB-CG1 4.49Å
660	C	94.9	Very high	92	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-70.4	-35.6	172.3	-62.7	0	0	0	0	112.6	I656 I657 K658 I664 F682 L746 M749	I656-C660 PolarHBondContact O-N 3.23Å; I656-C660 PolarHBondContact O-SG 3.02Å; I657-C660 PolarHBondContact O-N 2.92Å; K658-C660 PolarHBondContact O-N 2.88Å; C660-I664 WeakPolarHBondContact O-CB 3.47Å; C660-I664 WeakPolarHBondContact O-CD1 3.48Å; C660-I664 VanDerWaalsContact O-CG1 3.26Å; C660-I664 WeakPolarHBondContact O-CG1 3.24Å; C660-I664 PolarHBondContact O-N 2.71Å; C660-I664 VanDerWaalsContact O-N 3.1Å; C660-F682 HydrophobicContact CB-CD1 4.26Å; C660-F682 HydrophobicContact CB-CE1 3.83Å; C660-F682 HydrophobicContact CB-CE2 4.44Å; C660-F682 HydrophobicContact CB-CZ 3.94Å; C660-L746 HydrophobicContact CB-CD1 3.61Å; C660-M749 HydrophobicContact CB-CE 4.01Å; C660-M749 WeakPolarHBondContact SG-CE 3.12Å
661	L	93.9	Very high	92.3	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-64.6	-47.4	172.4	-176.1	80.7	0	0	0	110.7	I657 K658 A663 I664 K665 L743 L746 Y804 I807 D808 L811	I657-L661 WeakPolarHBondContact O-CB 3.46Å; I657-L661 PolarHBondContact O-N 2.87Å; K658-L661 CarbonylContact O-C 3.56Å; K658-L661 WeakPolarHBondContact O-CA 3.3Å; K658-L661 VanDerWaalsContact O-CB 3.27Å; K658-L661 WeakPolarHBondContact O-CB 3.22Å; K658-L661 PolarHBondContact O-N 2.92Å; L661-A663 VanDerWaalsContact C-N 3.34Å; L661-A663 PolarHBondContact O-N 3.34Å; L661-I664 PolarHBondContact O-N 2.99Å; L661-I664 VanDerWaalsContact O-N 3.15Å; L661-K665 VanDerWaalsContact O-CB 3.27Å; L661-K665 WeakPolarHBondContact O-CB 3.35Å; L661-K665 PolarHBondContact O-N 3.24Å; L661-L743 HydrophobicContact CD1-CD2 3.67Å; L661-L746 HydrophobicContact CB-CD2 4.19Å; L661-L746 HydrophobicContact CD1-CD2 4.01Å; L661-Y804 HydrophobicContact CD1-CD1 4.08Å; L661-Y804 HydrophobicContact CG-CD1 4.43Å; L661-I807 HydrophobicContact CD1-CB 4.41Å; L661-I807 HydrophobicContact CD1-CG2 3.81Å; L661-I807 HydrophobicContact CD2-CB 4.1Å; L661-I807 HydrophobicContact CD2-CG2 3.68Å; L661-I807 HydrophobicContact CG-CG2 4.37Å; L661-D808 HydrophobicContact CD2-CB 4.13Å; L661-L811 HydrophobicContact CD2-CD1 4.24Å
662	D	94.4	Very high	92.6	Very high	28 Å²	28	13.5 Å²	13.5	15%	0.15	7%	0.072	C	C	.	.	H	α-helix	trans	-58.7	-45.8	178.5	-67.3	-36.7	0	0	0	110.9	K658 I664 K665 D666	K658-D662 IonicContact NZ-OD1 2.71Å; K658-D662 IonicContact NZ-OD2 3.44Å; K658-D662 PolarHBondContact NZ-OD2 2.85Å; K658-D662 PolarHBondContact O-N 2.97Å; D662-I664 PolarHBondContact O-N 2.75Å; D662-K665 PolarHBondContact O-N 3.23Å; D662-D666 PolarHBondContact O-N 3Å
663	A	95.5	Very high	92.9	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-60.8	-40.1	174.5	0	0	0	0	0	113.6	H611 Q659 L661 L667 F682 I695	H611-A663 HydrophobicContact CB-CB 3.46Å; H611-A663 VanDerWaalsContact CB-CB 3.46Å; Q659-A663 WeakPolarHBondContact O-CB 3.12Å; Q659-A663 PolarHBondContact O-N 3.12Å; Q659-A663 VanDerWaalsContact O-N 3.07Å; L661-A663 VanDerWaalsContact C-N 3.34Å; L661-A663 PolarHBondContact O-N 3.34Å; A663-L667 WeakPolarHBondContact O-CB 3.24Å; A663-L667 PolarHBondContact O-N 2.77Å; A663-L667 VanDerWaalsContact O-N 3.16Å; A663-F682 HydrophobicContact CB-CE1 4.37Å; A663-I695 HydrophobicContact CB-CB 4.05Å; A663-I695 HydrophobicContact CB-CD1 4.49Å; A663-I695 HydrophobicContact CB-CG2 3.95Å
664	I	95.4	Very high	93.1	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-70.8	-42.5	177.1	-74.2	167	0	0	0	111	C660 L661 D662 D666 L667 H668 V677 F682 I695 D742 L743 L746	C660-I664 WeakPolarHBondContact O-CB 3.47Å; C660-I664 WeakPolarHBondContact O-CD1 3.48Å; C660-I664 VanDerWaalsContact O-CG1 3.26Å; C660-I664 WeakPolarHBondContact O-CG1 3.24Å; C660-I664 PolarHBondContact O-N 2.71Å; C660-I664 VanDerWaalsContact O-N 3.1Å; L661-I664 PolarHBondContact O-N 2.99Å; L661-I664 VanDerWaalsContact O-N 3.15Å; D662-I664 PolarHBondContact O-N 2.75Å; I664-D666 PolarHBondContact O-N 2.67Å; I664-L667 PolarHBondContact O-N 2.53Å; I664-L667 VanDerWaalsContact O-N 3.12Å; I664-H668 WeakPolarHBondContact CG2-CE1 3.31Å; I664-H668 PolarHBondContact O-N 2.53Å; I664-H668 PolarHBondContact O-ND1 2.58Å; I664-V677 HydrophobicContact CD1-CG1 3.87Å; I664-V677 HydrophobicContact CD1-CG2 3.76Å; I664-V677 HydrophobicContact CG1-CG2 4.29Å; I664-F682 HydrophobicContact CD1-CZ 4.05Å; I664-F682 HydrophobicContact CG1-CZ 4.3Å; I664-I695 HydrophobicContact CG1-CD1 4.05Å; I664-D742 HydrophobicContact CG2-CB 4.37Å; I664-L743 HydrophobicContact CG2-CD2 4.14Å; I664-L746 HydrophobicContact CD1-CB 4.4Å; I664-L746 HydrophobicContact CD1-CD1 4.3Å; I664-L746 HydrophobicContact CD1-CD2 4.13Å
665	K	94	Very high	93.4	Very high	43 Å²	43	14.1 Å²	14.1	19%	0.187	7%	0.073	C	C	.	.	H	α-helix	trans	-59.4	-44.6	176.7	-176	-175.8	-170.9	175.5	0	111.1	L661 D662 L667 N669 Y804 E805	L661-K665 VanDerWaalsContact O-CB 3.27Å; L661-K665 WeakPolarHBondContact O-CB 3.35Å; L661-K665 PolarHBondContact O-N 3.24Å; D662-K665 PolarHBondContact O-N 3.23Å; K665-L667 VanDerWaalsContact C-N 3.35Å; K665-N669 WeakPolarHBondContact O-CB 3.41Å; K665-N669 PolarHBondContact O-N 2.73Å; K665-N669 PolarHBondContact O-ND2 3.02Å; K665-Y804 HydrophobicContact CB-CD1 3.87Å; K665-Y804 HydrophobicContact CB-CE1 4.18Å; K665-Y804 HydrophobicContact CB-CG 4.24Å; K665-Y804 HydrophobicContact CD-CD1 4.39Å; K665-Y804 HydrophobicContact CD-CD2 4.49Å; K665-Y804 HydrophobicContact CD-CG 3.98Å; K665-Y804 HydrophobicContact CG-CD1 3.97Å; K665-Y804 HydrophobicContact CG-CD2 4.1Å; K665-Y804 HydrophobicContact CG-CE1 4.42Å; K665-Y804 HydrophobicContact CG-CG 3.82Å; K665-E805 WeakPolarHBondContact CE-OE1 3.47Å; K665-E805 IonicContact NZ-OE1 3.34Å; K665-E805 PolarHBondContact NZ-OE1 2.98Å
666	D	94.5	Very high	93.7	Very high	53 Å²	53	14.5 Å²	14.5	28%	0.283	8%	0.075	S	C	.	.	H	α-helix	trans	-64.7	-36.6	174.4	-81.2	-8.9	0	0	0	112.4	F606 S609 D662 I664 N669 A670	F606-D666 HydrophobicContact CD2-CB 4.48Å; F606-D666 HydrophobicContact CE2-CB 3.65Å; F606-D666 HydrophobicContact CZ-CB 4.47Å; S609-D666 WeakPolarHBondContact CA-OD2 3.46Å; S609-D666 WeakPolarHBondContact CB-OD2 3.44Å; S609-D666 WeakPolarHBondContact OG-CB 3.24Å; S609-D666 PolarHBondContact OG-OD2 3Å; D662-D666 PolarHBondContact O-N 3Å; I664-D666 PolarHBondContact O-N 2.67Å; D666-N669 CarbonylContact O-C 3.51Å; D666-N669 WeakPolarHBondContact O-CB 3.41Å; D666-N669 PolarHBondContact O-N 3.04Å; D666-A670 PolarHBondContact O-N 2.81Å
667	L	95	Very high	93.9	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.005	8%	0.075	C	C	.	.	H	α-helix	trans	-70.9	-41.1	179	-172.1	68.3	0	0	0	111.5	V602 F606 A663 I664 K665 N669 A670 C671 F672 H674 I695 F698	V602-L667 HydrophobicContact CG1-CD1 3.88Å; F606-L667 HydrophobicContact CB-CD1 4.31Å; F606-L667 HydrophobicContact CD1-CD1 4.22Å; F606-L667 HydrophobicContact CD2-CB 4.16Å; F606-L667 HydrophobicContact CD2-CD1 3.81Å; F606-L667 HydrophobicContact CE2-CB 3.79Å; F606-L667 HydrophobicContact CE2-CD1 4.15Å; F606-L667 HydrophobicContact CG-CD1 3.86Å; F606-L667 HydrophobicContact CZ-CB 4.32Å; A663-L667 WeakPolarHBondContact O-CB 3.24Å; A663-L667 PolarHBondContact O-N 2.77Å; A663-L667 VanDerWaalsContact O-N 3.16Å; I664-L667 PolarHBondContact O-N 2.53Å; I664-L667 VanDerWaalsContact O-N 3.12Å; K665-L667 VanDerWaalsContact C-N 3.35Å; L667-N669 VanDerWaalsContact C-N 3.32Å; L667-A670 CarbonylContact O-C 3.56Å; L667-A670 WeakPolarHBondContact O-CA 3.34Å; L667-A670 WeakPolarHBondContact O-CB 3.34Å; L667-A670 PolarHBondContact O-N 3.49Å; L667-A670 VanDerWaalsContact O-N 3.13Å; L667-C671 PolarHBondContact O-N 3.46Å; L667-F672 CarbonylContact C-O 3.44Å; L667-F672 VanDerWaalsContact C-O 3.25Å; L667-F672 HydrophobicContact CD1-CB 4.02Å; L667-F672 HydrophobicContact CG-CB 4.07Å; L667-F672 PolarHBondContact O-N 3.39Å; L667-H674 HydrophobicContact CD2-CB 3.86Å; L667-I695 HydrophobicContact CD2-CD1 4.47Å; L667-F698 HydrophobicContact CD1-CE1 4.31Å; L667-F698 HydrophobicContact CD2-CE1 4.41Å
668	H	93	Very high	94	Very high	3 Å²	3	15.6 Å²	15.6	1%	0.014	8%	0.08	C	C	.	.	H	α-helix	trans	-64.3	-37.5	170	-64.3	150.2	0	0	0	110.8	I664 A670 C671 F672 I673 Y704 R739 D742 Y804	I664-H668 WeakPolarHBondContact CG2-CE1 3.31Å; I664-H668 PolarHBondContact O-N 2.53Å; I664-H668 PolarHBondContact O-ND1 2.58Å; H668-A670 VanDerWaalsContact C-N 3.27Å; H668-A670 PolarHBondContact O-N 2.96Å; H668-C671 VanDerWaalsContact O-CA 3.31Å; H668-C671 WeakPolarHBondContact O-CA 3.46Å; H668-C671 PolarHBondContact O-N 3Å; H668-F672 WeakPolarHBondContact CA-O 3.49Å; H668-F672 PolarHBondContact CD2-O 2.84Å; H668-F672 PolarHBondContact N-O 2.83Å; H668-I673 WeakPolarHBondContact NE2-CA 3.43Å; H668-I673 WeakPolarHBondContact NE2-CG2 2.79Å; H668-Y704 HydrophobicContact CB-CE1 4.32Å; H668-Y704 WeakPolarHBondContact O-CE1 3.13Å; H668-Y704 PolarHBondContact O-OH 2.53Å; H668-R739 PolarHBondContact CE1-O 2.92Å; H668-D742 IonicContact CD2-OD2 2.84Å; H668-D742 WeakPolarHBondContact CE1-CB 3.18Å; H668-D742 IonicContact CE1-OD2 3.36Å; H668-D742 VanDerWaalsContact NE2-CB 3.31Å; H668-D742 WeakPolarHBondContact NE2-CB 3.43Å; H668-D742 IonicContact NE2-OD2 3.13Å; H668-D742 PolarHBondContact NE2-OD2 3.23Å; H668-Y804 AromaticContact ND1-CE1 3.99Å; H668-Y804 AromaticContact ND1-CZ 3.82Å; H668-Y804 PolarHBondContact ND1-OH 3.47Å
669	N	91.2	Very high	94	Very high	66 Å²	66	15.1 Å²	15.1	35%	0.353	8%	0.078	S	C	.	.	H	α-helix	trans	-61.6	-31.8	170.6	-89.5	-54.6	0	0	0	113.2	K665 D666 L667 C671 K708	K665-N669 WeakPolarHBondContact O-CB 3.41Å; K665-N669 PolarHBondContact O-N 2.73Å; K665-N669 PolarHBondContact O-ND2 3.02Å; D666-N669 CarbonylContact O-C 3.51Å; D666-N669 WeakPolarHBondContact O-CB 3.41Å; D666-N669 PolarHBondContact O-N 3.04Å; L667-N669 VanDerWaalsContact C-N 3.32Å; N669-C671 PolarHBondContact O-N 2.87Å; N669-K708 WeakPolarHBondContact O-CE 3.43Å; N669-K708 PolarHBondContact OD1-NZ 3.13Å
670	A	91.5	Very high	93.9	Very high	17 Å²	17	16.6 Å²	16.6	14%	0.14	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	9.9	169.5	0	0	0	0	0	113.7	F606 D666 L667 H668 F672	F606-A670 HydrophobicContact CD2-CB 4.4Å; D666-A670 PolarHBondContact O-N 2.81Å; L667-A670 CarbonylContact O-C 3.56Å; L667-A670 WeakPolarHBondContact O-CA 3.34Å; L667-A670 WeakPolarHBondContact O-CB 3.34Å; L667-A670 PolarHBondContact O-N 3.49Å; L667-A670 VanDerWaalsContact O-N 3.13Å; H668-A670 VanDerWaalsContact C-N 3.27Å; H668-A670 PolarHBondContact O-N 2.96Å; A670-F672 VanDerWaalsContact C-N 3.32Å; A670-F672 HydrophobicContact CB-CD2 4.17Å; A670-F672 WeakPolarHBondContact O-CD2 3.08Å; A670-F672 WeakPolarHBondContact O-CE2 3.4Å; A670-F672 PolarHBondContact O-N 2.88Å
671	C	92.6	Very high	93.9	Very high	12 Å²	12	16.9 Å²	16.9	8%	0.081	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	13.2	-178.5	-52.4	0	0	0	0	115.4	L667 H668 N669 K703 Y704 C705 K708	L667-C671 PolarHBondContact O-N 3.46Å; H668-C671 VanDerWaalsContact O-CA 3.31Å; H668-C671 WeakPolarHBondContact O-CA 3.46Å; H668-C671 PolarHBondContact O-N 3Å; N669-C671 PolarHBondContact O-N 2.87Å; C671-K703 CarbonylContact O-C 3.57Å; C671-K703 VanDerWaalsContact O-CA 3.23Å; C671-K703 WeakPolarHBondContact O-CA 2.87Å; C671-Y704 VanDerWaalsContact O-CD1 3.29Å; C671-Y704 WeakPolarHBondContact O-CD1 3.4Å; C671-Y704 PolarHBondContact O-N 3.16Å; C671-C705 VanDerWaalsContact CB-SG 3.55Å; C671-K708 PolarHBondContact SG-N 3.05Å
672	F	93.9	Very high	94	Very high	2 Å²	2	17 Å²	17	1%	0.009	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	136	-178.5	-68.4	-88.2	0	0	0	113	W598 V602 Q605 L667 H668 A670 C701 R702 K703	W598-F672 HydrophobicContact CH2-CE1 4.46Å; W598-F672 HydrophobicContact CZ2-CE1 4Å; V602-F672 HydrophobicContact CG1-CD1 4.46Å; V602-F672 HydrophobicContact CG1-CD2 4.26Å; V602-F672 HydrophobicContact CG1-CE2 4.49Å; V602-F672 HydrophobicContact CG1-CG 4.25Å; V602-F672 HydrophobicContact CG2-CD1 4.07Å; V602-F672 HydrophobicContact CG2-CE1 3.77Å; V602-F672 HydrophobicContact CG2-CZ 4.12Å; Q605-F672 HydrophobicContact CB-CE2 4.01Å; L667-F672 CarbonylContact C-O 3.44Å; L667-F672 VanDerWaalsContact C-O 3.25Å; L667-F672 HydrophobicContact CD1-CB 4.02Å; L667-F672 HydrophobicContact CG-CB 4.07Å; L667-F672 PolarHBondContact O-N 3.39Å; H668-F672 WeakPolarHBondContact CA-O 3.49Å; H668-F672 PolarHBondContact CD2-O 2.84Å; H668-F672 PolarHBondContact N-O 2.83Å; A670-F672 VanDerWaalsContact C-N 3.32Å; A670-F672 HydrophobicContact CB-CD2 4.17Å; A670-F672 WeakPolarHBondContact O-CD2 3.08Å; A670-F672 WeakPolarHBondContact O-CE2 3.4Å; A670-F672 PolarHBondContact O-N 2.88Å; F672-C701 HydrophobicContact CD1-CB 4.33Å; F672-R702 CarbonylContact C-O 3.6Å; F672-R702 WeakPolarHBondContact CA-O 3.46Å; F672-K703 HydrophobicContact CD1-CG 3.71Å; F672-K703 HydrophobicContact CE1-CD 4.32Å; F672-K703 HydrophobicContact CE1-CG 3.43Å; F672-K703 VanDerWaalsContact CE1-CG 3.43Å; F672-K703 HydrophobicContact CE2-CG 4.35Å; F672-K703 HydrophobicContact CG-CG 4.3Å; F672-K703 HydrophobicContact CZ-CD 4.21Å; F672-K703 HydrophobicContact CZ-CG 3.8Å
673	I	94	Very high	94	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	145.9	163.1	50	172.6	0	0	0	110	H668 R675 C701 R702 Y704 L737 R739	H668-I673 WeakPolarHBondContact NE2-CA 3.43Å; H668-I673 WeakPolarHBondContact NE2-CG2 2.79Å; I673-R675 HydrophobicContact CB-CG 4.34Å; I673-R675 HydrophobicContact CD1-CG 3.84Å; I673-R675 HydrophobicContact CG1-CG 3.98Å; I673-C701 VanDerWaalsContact O-CA 3.26Å; I673-C701 WeakPolarHBondContact O-CA 3.16Å; I673-R702 HydrophobicContact CD1-CB 4.37Å; I673-R702 HydrophobicContact CD1-CG 4.4Å; I673-R702 HydrophobicContact CG1-CB 4.08Å; I673-R702 HydrophobicContact CG1-CG 4.46Å; I673-R702 WeakPolarHBondContact CG1-O 3.3Å; I673-R702 PolarHBondContact N-O 2.93Å; I673-R702 PolarHBondContact O-N 2.7Å; I673-Y704 HydrophobicContact CG2-CD1 3.99Å; I673-Y704 HydrophobicContact CG2-CG 4.31Å; I673-L737 WeakPolarHBondContact CD1-O 3.31Å; I673-R739 HydrophobicContact CG2-CG 4.06Å
674	H	94.9	Very high	93.8	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.005	9%	0.086	C	C	.	.			trans	-85.1	-44.8	-174.9	-167.5	-46.7	0	0	0	113.1	L667 D676 V677 I696 D697 L700 D742	L667-H674 HydrophobicContact CD2-CB 3.86Å; H674-D676 PolarHBondContact ND1-N 2.73Å; H674-D676 PolarHBondContact O-N 3.24Å; H674-V677 HydrophobicContact CB-CG2 4.02Å; H674-I696 PolarHBondContact NE2-O 2.96Å; H674-D697 PolarHBondContact CE1-O 3.5Å; H674-D697 VanDerWaalsContact CE1-O 3.29Å; H674-L700 CarbonylContact O-C 3.55Å; H674-D742 PolarHBondContact N-OD2 3.21Å
675	R	94.7	Very high	93.5	Very high	31 Å²	31	15.8 Å²	15.8	12%	0.117	9%	0.087	C	C	.	.	S	Bend	trans	64.9	14.4	179.1	-51.4	-172	-61.5	166.8	2	116.1	I673 L700 G722 L737 D742	I673-R675 HydrophobicContact CB-CG 4.34Å; I673-R675 HydrophobicContact CD1-CG 3.84Å; I673-R675 HydrophobicContact CG1-CG 3.98Å; R675-L700 PolarHBondContact NE-O 2.94Å; R675-L700 PolarHBondContact NH2-O 3.31Å; R675-G722 WeakPolarHBondContact O-CA 3.18Å; R675-G722 PolarHBondContact O-N 3.15Å; R675-L737 HydrophobicContact CB-CD1 3.87Å; R675-L737 HydrophobicContact CG-CB 4.03Å; R675-L737 HydrophobicContact CG-CD1 4.03Å; R675-D742 WeakPolarHBondContact CA-OD1 3.45Å; R675-D742 PolarHBondContact N-OD1 3.08Å
676	D	95.1	Very high	92.9	Very high	12 Å²	12	16 Å²	16	6%	0.064	9%	0.094	C	C	.	.			trans	-155.5	34.2	175.9	-155.6	7.2	0	0	0	113.8	H674 K678 L700 G722 T723	H674-D676 PolarHBondContact ND1-N 2.73Å; H674-D676 PolarHBondContact O-N 3.24Å; D676-K678 WeakPolarHBondContact O-CD 3.5Å; D676-K678 WeakPolarHBondContact O-CG 3.43Å; D676-K678 PolarHBondContact O-N 3.19Å; D676-K678 WeakPolarHBondContact OD1-CD 3.45Å; D676-K678 IonicContact OD1-NZ 3.24Å; D676-K678 PolarHBondContact OD1-NZ 3.03Å; D676-K678 IonicContact OD2-NZ 2.75Å; D676-K678 PolarHBondContact OD2-NZ 2.91Å; D676-L700 HydrophobicContact CB-CB 4.49Å; D676-L700 HydrophobicContact CB-CD1 3.8Å; D676-G722 VanDerWaalsContact OD1-C 3.26Å; D676-G722 VanDerWaalsContact OD1-CA 3.26Å; D676-G722 WeakPolarHBondContact OD1-CA 3.35Å; D676-T723 VanDerWaalsContact OD1-CB 3.27Å; D676-T723 WeakPolarHBondContact OD1-CB 3.36Å; D676-T723 PolarHBondContact OD1-N 2.83Å; D676-T723 PolarHBondContact OD1-OG1 3.05Å
677	V	95.5	Very high	92.1	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.006	9%	0.094	C	C	.	.			trans	-57.9	118.7	177.8	169.3	0	0	0	0	110.6	I664 H674 F682 D742 L746	I664-V677 HydrophobicContact CD1-CG1 3.87Å; I664-V677 HydrophobicContact CD1-CG2 3.76Å; I664-V677 HydrophobicContact CG1-CG2 4.29Å; H674-V677 HydrophobicContact CB-CG2 4.02Å; V677-F682 HydrophobicContact CG1-CE2 3.94Å; V677-F682 HydrophobicContact CG1-CZ 4.26Å; V677-D742 HydrophobicContact CG2-CB 3.89Å; V677-L746 HydrophobicContact CG1-CB 4.09Å; V677-L746 HydrophobicContact CG1-CD1 4.45Å
678	K	94.1	Very high	91.2	Very high	23 Å²	23	21.1 Å²	21.1	10%	0.1	13%	0.132	C	C	.	.	S	Bend	trans	-166.6	160	-176	65.8	-160.6	172	-175	0	111.5	D676 S680 N681 F682 T723 Y726	D676-K678 WeakPolarHBondContact O-CD 3.5Å; D676-K678 WeakPolarHBondContact O-CG 3.43Å; D676-K678 PolarHBondContact O-N 3.19Å; D676-K678 WeakPolarHBondContact OD1-CD 3.45Å; D676-K678 IonicContact OD1-NZ 3.24Å; D676-K678 PolarHBondContact OD1-NZ 3.03Å; D676-K678 IonicContact OD2-NZ 2.75Å; D676-K678 PolarHBondContact OD2-NZ 2.91Å; K678-S680 VanDerWaalsContact CE-OG 3.24Å; K678-S680 WeakPolarHBondContact CE-OG 3.48Å; K678-S680 WeakPolarHBondContact CG-OG 3.25Å; K678-S680 PolarHBondContact O-N 3.13Å; K678-N681 WeakPolarHBondContact CE-OD1 3.4Å; K678-N681 HydrophobicContact CG-CB 4.17Å; K678-N681 PolarHBondContact O-N 3.05Å; K678-F682 WeakPolarHBondContact O-CD2 3.36Å; K678-T723 HydrophobicContact CD-CG2 4.2Å; K678-T723 WeakPolarHBondContact CD-OG1 3.47Å; K678-T723 PolarHBondContact NZ-OG1 2.89Å; K678-Y726 HydrophobicContact CB-CD2 3.4Å; K678-Y726 VanDerWaalsContact CB-CD2 3.4Å; K678-Y726 HydrophobicContact CB-CE2 3.69Å; K678-Y726 HydrophobicContact CB-CG 4.05Å
679	P	93	Very high	90.7	Very high	7 Å²	7	24 Å²	24	5%	0.045	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-21.2	-178.1	-26.3	33	0	0	0	116.5	L636 S637 Y726 M749	L636-P679 CarbonylContact C-O 3.48Å; L636-P679 HydrophobicContact CB-CB 4.23Å; L636-P679 WeakPolarHBondContact CB-O 3.4Å; L636-P679 PolarHBondContact N-O 3.27Å; S637-P679 PolarHBondContact N-O 3.21Å; P679-Y726 VanDerWaalsContact CD-CZ 3.41Å; P679-Y726 HydrophobicContact CG-CE1 4.22Å; P679-M749 HydrophobicContact CB-SD 4.18Å; P679-M749 HydrophobicContact CG-CG 3.83Å; P679-M749 HydrophobicContact CG-SD 3.67Å
680	S	91.9	Very high	90.2	Very high	48 Å²	48	23.8 Å²	23.8	34%	0.336	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-15.2	177.1	67.1	0	0	0	0	113.9	K678	K678-S680 VanDerWaalsContact CE-OG 3.24Å; K678-S680 WeakPolarHBondContact CE-OG 3.48Å; K678-S680 WeakPolarHBondContact CG-OG 3.25Å; K678-S680 PolarHBondContact O-N 3.13Å
681	N	94.8	Very high	89.7	Confident	7 Å²	7	24.7 Å²	24.7	4%	0.037	15%	0.148	C	C	.	.	S	Bend	trans	-103.9	15	-178	-73.5	41.4	0	0	0	112.2	K678 I696 D697	K678-N681 WeakPolarHBondContact CE-OD1 3.4Å; K678-N681 HydrophobicContact CG-CB 4.17Å; K678-N681 PolarHBondContact O-N 3.05Å; N681-I696 WeakPolarHBondContact CB-O 3.35Å; N681-I696 PolarHBondContact ND2-O 2.81Å; N681-I696 WeakPolarHBondContact O-CG1 3.45Å; N681-I696 PolarHBondContact O-N 2.86Å; N681-D697 WeakPolarHBondContact ND2-CB 3.35Å; N681-D697 PolarHBondContact ND2-OD2 3.24Å; N681-D697 VanDerWaalsContact ND2-OD2 3.08Å
682	F	95.4	Very high	89.5	Confident	1 Å²	1	26.9 Å²	26.9	0%	0.004	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	133.3	165.6	-66.2	-81.2	0	0	0	108.7	S635 L636 C660 A663 I664 V677 K678 I693 Y694 I695 M749	S635-F682 CarbonylContact C-O 3.59Å; S635-F682 WeakPolarHBondContact CA-O 3.27Å; S635-F682 WeakPolarHBondContact CB-O 3.28Å; L636-F682 HydrophobicContact CD1-CB 3.62Å; L636-F682 HydrophobicContact CD1-CG 4.34Å; L636-F682 HydrophobicContact CG-CB 3.87Å; L636-F682 PolarHBondContact N-O 2.86Å; C660-F682 HydrophobicContact CB-CD1 4.26Å; C660-F682 HydrophobicContact CB-CE1 3.83Å; C660-F682 HydrophobicContact CB-CE2 4.44Å; C660-F682 HydrophobicContact CB-CZ 3.94Å; A663-F682 HydrophobicContact CB-CE1 4.37Å; I664-F682 HydrophobicContact CD1-CZ 4.05Å; I664-F682 HydrophobicContact CG1-CZ 4.3Å; V677-F682 HydrophobicContact CG1-CE2 3.94Å; V677-F682 HydrophobicContact CG1-CZ 4.26Å; K678-F682 WeakPolarHBondContact O-CD2 3.36Å; F682-I693 HydrophobicContact CB-CG2 3.8Å; F682-I693 HydrophobicContact CD1-CG2 3.91Å; F682-I693 HydrophobicContact CG-CG2 4.25Å; F682-Y694 CarbonylContact C-O 3.49Å; F682-Y694 VanDerWaalsContact CA-O 3.24Å; F682-Y694 WeakPolarHBondContact CA-O 3.41Å; F682-I695 HydrophobicContact CD1-CB 4Å; F682-I695 HydrophobicContact CD1-CG1 4.06Å; F682-I695 HydrophobicContact CE1-CB 3.82Å; F682-I695 HydrophobicContact CE1-CD1 3.58Å; F682-I695 HydrophobicContact CE1-CG1 3.61Å; F682-I695 HydrophobicContact CZ-CD1 3.79Å; F682-I695 HydrophobicContact CZ-CG1 4.09Å; F682-M749 HydrophobicContact CD2-CE 3.87Å; F682-M749 HydrophobicContact CD2-SD 4.13Å; F682-M749 HydrophobicContact CE2-CE 3.98Å; F682-M749 HydrophobicContact CE2-SD 4.35Å
683	A	93.4	Very high	89.5	Confident	3 Å²	3	26.8 Å²	26.8	3%	0.025	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	148.5	-178.3	0	0	0	0	0	110.9	L632 I693 Y694 I696	L632-A683 HydrophobicContact CB-CB 4.31Å; L632-A683 HydrophobicContact CD1-CB 4.33Å; A683-I693 CarbonylContact O-C 3.47Å; A683-I693 WeakPolarHBondContact O-CA 3.47Å; A683-Y694 PolarHBondContact N-O 2.82Å; A683-Y694 PolarHBondContact O-N 2.82Å; A683-I696 HydrophobicContact CB-CD1 4.15Å; A683-I696 HydrophobicContact CB-CG2 4.5Å
684	V	91.6	Very high	89.6	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	152.9	173.7	-62.3	0	0	0	0	111	G633 P634 L636 L639 K692 W828 L832	G633-V684 VanDerWaalsContact CA-O 3.32Å; G633-V684 WeakPolarHBondContact CA-O 3.48Å; G633-V684 PolarHBondContact N-O 2.66Å; P634-V684 PolarHBondContact O-N 2.67Å; L636-V684 HydrophobicContact CD2-CG1 4.37Å; L639-V684 HydrophobicContact CD1-CG1 3.7Å; L639-V684 HydrophobicContact CD1-CG2 4.04Å; V684-K692 CarbonylContact C-O 3.56Å; V684-K692 VanDerWaalsContact CA-O 3.31Å; V684-K692 WeakPolarHBondContact CA-O 3.31Å; V684-W828 HydrophobicContact CG1-CZ2 4.33Å; V684-L832 HydrophobicContact CG2-CD1 3.97Å; V684-L832 HydrophobicContact CG2-CD2 3.89Å
685	G	88.4	Confident	89.6	Confident	1 Å²	1	27.4 Å²	27.4	1%	0.01	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-68.4	159.8	172.5	0	0	0	0	0	113.2	N689 R690 K692	G685-N689 VanDerWaalsContact CA-O 3.25Å; G685-N689 WeakPolarHBondContact CA-O 3.26Å; G685-N689 PolarHBondContact N-O 2.66Å; G685-R690 WeakPolarHBondContact O-CA 2.95Å; G685-R690 VanDerWaalsContact O-CG 3.28Å; G685-R690 WeakPolarHBondContact O-CG 3.46Å; G685-K692 PolarHBondContact N-O 2.7Å
686	S	82.6	Confident	89.5	Confident	48 Å²	48	28 Å²	28	34%	0.336	16%	0.163	S	C	.	.	S	Bend	trans	-87.3	166.7	170.3	43.3	0	0	0	0	111.5	L631 T688 N689	L631-S686 PolarHBondContact O-OG 2.68Å; S686-T688 PolarHBondContact O-N 3.19Å; S686-N689 PolarHBondContact O-N 3.16Å
687	G	76.8	Confident	89.3	Confident	28 Å²	28	29.5 Å²	29.5	29%	0.289	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	56.4	-119.7	172.2	0	0	0	0	0	113.9	N689 R690	G687-N689 VanDerWaalsContact C-N 3.26Å; G687-N689 PolarHBondContact O-N 3.05Å; G687-R690 WeakPolarHBondContact O-CG 3.48Å; G687-R690 PolarHBondContact O-NE 3.46Å
688	T	77.2	Confident	89.2	Confident	132 Å²	132	29.5 Å²	29.5	81%	0.81	17%	0.171	S	C	*	.	G	3₁₀ helix	trans	-72.7	-14	178.5	54.3	0	0	0	0	114.2	S686	S686-T688 PolarHBondContact O-N 3.19Å
689	N	82.9	Confident	88.9	Confident	65 Å²	65	28.7 Å²	28.7	35%	0.348	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-99.6	18.9	-170.7	-60.2	-17.9	0	0	0	112.9	G685 S686 G687 S691 K692 Y694	G685-N689 VanDerWaalsContact CA-O 3.25Å; G685-N689 WeakPolarHBondContact CA-O 3.26Å; G685-N689 PolarHBondContact N-O 2.66Å; S686-N689 PolarHBondContact O-N 3.16Å; G687-N689 VanDerWaalsContact C-N 3.26Å; G687-N689 PolarHBondContact O-N 3.05Å; N689-S691 VanDerWaalsContact C-N 3.33Å; N689-S691 PolarHBondContact O-N 3.27Å; N689-K692 HydrophobicContact CB-CB 4.33Å; N689-K692 WeakPolarHBondContact O-CA 3.4Å; N689-K692 WeakPolarHBondContact O-CB 3.43Å; N689-K692 PolarHBondContact O-N 3.26Å; N689-Y694 HydrophobicContact CB-CE2 4.36Å; N689-Y694 PolarHBondContact ND2-OH 3.29Å
690	R	79.2	Confident	88.7	Confident	61 Å²	61	29.4 Å²	29.4	23%	0.23	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-25.9	-173.9	-79	-177.9	-92.6	-172.6	-26.1	115.6	G685 G687 L832 D836	G685-R690 WeakPolarHBondContact O-CA 2.95Å; G685-R690 VanDerWaalsContact O-CG 3.28Å; G685-R690 WeakPolarHBondContact O-CG 3.46Å; G687-R690 WeakPolarHBondContact O-CG 3.48Å; G687-R690 PolarHBondContact O-NE 3.46Å; R690-L832 HydrophobicContact CB-CD1 3.85Å; R690-L832 HydrophobicContact CG-CD1 3.78Å; R690-D836 IonicContact CZ-OD1 2.94Å; R690-D836 IonicContact CZ-OD2 2.77Å; R690-D836 IonicContact NE-OD1 2.72Å; R690-D836 IonicContact NE-OD2 3.81Å; R690-D836 IonicContact NH1-OD1 3.51Å; R690-D836 IonicContact NH1-OD2 2.65Å; R690-D836 PolarHBondContact NH1-OD2 3.39Å; R690-D836 IonicContact NH2-OD1 3.29Å; R690-D836 PolarHBondContact NH2-OD1 2.82Å; R690-D836 IonicContact NH2-OD2 2.7Å; R690-D836 PolarHBondContact NH2-OD2 2.99Å; R690-D836 VanDerWaalsContact NH2-OD2 3.17Å
691	S	80.7	Confident	88.8	Confident	36 Å²	36	27.3 Å²	27.3	25%	0.252	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-1.5	169.8	52.5	0	0	0	0	113.2	Q659 N689 F826	Q659-S691 PolarHBondContact NE2-O 2.75Å; Q659-S691 PolarHBondContact OE1-O 2.87Å; N689-S691 VanDerWaalsContact C-N 3.33Å; N689-S691 PolarHBondContact O-N 3.27Å; S691-F826 VanDerWaalsContact O-CE2 3.31Å; S691-F826 WeakPolarHBondContact O-CE2 3.46Å
692	K	89.7	Confident	88.6	Confident	58 Å²	58	29.5 Å²	29.5	25%	0.252	17%	0.166	S	C	.	.			trans	-105.3	130.9	-175	-160.3	178.1	-160.7	-175.2	0	112	S610 V684 G685 N689 Y694	S610-K692 WeakPolarHBondContact O-CE 3.09Å; S610-K692 PolarHBondContact O-NZ 2.92Å; S610-K692 WeakPolarHBondContact OG-CE 3.32Å; S610-K692 PolarHBondContact OG-NZ 2.52Å; V684-K692 CarbonylContact C-O 3.56Å; V684-K692 VanDerWaalsContact CA-O 3.31Å; V684-K692 WeakPolarHBondContact CA-O 3.31Å; G685-K692 PolarHBondContact N-O 2.7Å; N689-K692 HydrophobicContact CB-CB 4.33Å; N689-K692 WeakPolarHBondContact O-CA 3.4Å; N689-K692 WeakPolarHBondContact O-CB 3.43Å; N689-K692 PolarHBondContact O-N 3.26Å; K692-Y694 HydrophobicContact CB-CE2 4.13Å; K692-Y694 HydrophobicContact CD-CE2 4.1Å; K692-Y694 HydrophobicContact CG-CE2 4.15Å
693	I	93.1	Very high	88.5	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	132.3	178.2	-60.6	172.7	0	0	0	109.7	H611 L636 I656 Q659 F682 A683 F826	H611-I693 PolarHBondContact ND1-O 3.2Å; L636-I693 HydrophobicContact CD1-CD1 4.32Å; L636-I693 HydrophobicContact CD1-CG2 4.49Å; L636-I693 HydrophobicContact CD2-CD1 4.06Å; L636-I693 HydrophobicContact CD2-CG1 4.35Å; I656-I693 HydrophobicContact CB-CD1 4.24Å; I656-I693 HydrophobicContact CG1-CD1 4.38Å; I656-I693 HydrophobicContact CG2-CD1 3.92Å; Q659-I693 HydrophobicContact CB-CB 4.09Å; Q659-I693 HydrophobicContact CB-CD1 4.29Å; Q659-I693 HydrophobicContact CB-CG1 4.49Å; F682-I693 HydrophobicContact CB-CG2 3.8Å; F682-I693 HydrophobicContact CD1-CG2 3.91Å; F682-I693 HydrophobicContact CG-CG2 4.25Å; A683-I693 CarbonylContact O-C 3.47Å; A683-I693 WeakPolarHBondContact O-CA 3.47Å; I693-F826 HydrophobicContact CD1-CE2 4.38Å; I693-F826 HydrophobicContact CD1-CZ 4.2Å; I693-F826 HydrophobicContact CG1-CE2 4.45Å
694	Y	95.8	Very high	88.3	Confident	13 Å²	13	33.2 Å²	33.2	5%	0.051	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	149.2	177.5	-68.9	-106.7	0	0	0	109.8	H611 P613 L632 F682 A683 N689 K692	H611-Y694 WeakPolarHBondContact O-CA 3.5Å; P613-Y694 HydrophobicContact CG-CD1 4.44Å; L632-Y694 HydrophobicContact CD1-CD1 4.22Å; L632-Y694 HydrophobicContact CD1-CD2 4.41Å; L632-Y694 HydrophobicContact CD1-CG 3.85Å; L632-Y694 HydrophobicContact CD2-CD1 4.1Å; L632-Y694 HydrophobicContact CD2-CD2 3.94Å; L632-Y694 HydrophobicContact CD2-CE1 4.18Å; L632-Y694 HydrophobicContact CD2-CE2 4.05Å; L632-Y694 HydrophobicContact CD2-CG 3.97Å; F682-Y694 CarbonylContact C-O 3.49Å; F682-Y694 VanDerWaalsContact CA-O 3.24Å; F682-Y694 WeakPolarHBondContact CA-O 3.41Å; A683-Y694 PolarHBondContact N-O 2.82Å; A683-Y694 PolarHBondContact O-N 2.82Å; N689-Y694 HydrophobicContact CB-CE2 4.36Å; N689-Y694 PolarHBondContact ND2-OH 3.29Å; K692-Y694 HydrophobicContact CB-CE2 4.13Å; K692-Y694 HydrophobicContact CD-CE2 4.1Å; K692-Y694 HydrophobicContact CG-CE2 4.15Å
695	I	95.7	Very high	88.1	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	134	177.9	-167.5	169.2	0	0	0	110.6	F606 H611 P613 A663 I664 L667 F682 F698	F606-I695 HydrophobicContact CE1-CG2 3.43Å; F606-I695 VanDerWaalsContact CE1-CG2 3.43Å; F606-I695 HydrophobicContact CZ-CG2 3.56Å; H611-I695 PolarHBondContact O-N 2.95Å; H611-I695 VanDerWaalsContact O-N 3.1Å; P613-I695 VanDerWaalsContact CD-O 3.25Å; P613-I695 WeakPolarHBondContact CD-O 3.37Å; P613-I695 WeakPolarHBondContact CG-O 3.41Å; A663-I695 HydrophobicContact CB-CB 4.05Å; A663-I695 HydrophobicContact CB-CD1 4.49Å; A663-I695 HydrophobicContact CB-CG2 3.95Å; I664-I695 HydrophobicContact CG1-CD1 4.05Å; L667-I695 HydrophobicContact CD2-CD1 4.47Å; F682-I695 HydrophobicContact CD1-CB 4Å; F682-I695 HydrophobicContact CD1-CG1 4.06Å; F682-I695 HydrophobicContact CE1-CB 3.82Å; F682-I695 HydrophobicContact CE1-CD1 3.58Å; F682-I695 HydrophobicContact CE1-CG1 3.61Å; F682-I695 HydrophobicContact CZ-CD1 3.79Å; F682-I695 HydrophobicContact CZ-CG1 4.09Å; I695-F698 HydrophobicContact CG1-CE1 4.28Å; I695-F698 HydrophobicContact CG2-CE1 3.9Å; I695-F698 HydrophobicContact CG2-CZ 3.98Å; I695-F698 WeakPolarHBondContact O-CZ 3.37Å
696	I	93.2	Very high	87.6	Confident	45 Å²	45	38 Å²	38	23%	0.231	20%	0.203	C	C	.	.			trans	-135.5	162.7	-168.9	65.7	169.6	0	0	0	113	P613 L632 H674 N681 A683	P613-I696 HydrophobicContact CG-CG2 3.78Å; L632-I696 HydrophobicContact CD1-CG2 3.96Å; H674-I696 PolarHBondContact NE2-O 2.96Å; N681-I696 WeakPolarHBondContact CB-O 3.35Å; N681-I696 PolarHBondContact ND2-O 2.81Å; N681-I696 WeakPolarHBondContact O-CG1 3.45Å; N681-I696 PolarHBondContact O-N 2.86Å; A683-I696 HydrophobicContact CB-CD1 4.15Å; A683-I696 HydrophobicContact CB-CG2 4.5Å
697	D	91.4	Very high	86.9	Confident	43 Å²	43	42.7 Å²	42.7	23%	0.23	22%	0.219	C	C	.	.			trans	62.6	70.5	-178.9	176.1	44.7	0	0	0	113.8	K583 H674 N681 G699	K583-D697 IonicContact NZ-OD1 3.37Å; K583-D697 PolarHBondContact NZ-OD1 2.83Å; H674-D697 PolarHBondContact CE1-O 3.5Å; H674-D697 VanDerWaalsContact CE1-O 3.29Å; N681-D697 WeakPolarHBondContact ND2-CB 3.35Å; N681-D697 PolarHBondContact ND2-OD2 3.24Å; N681-D697 VanDerWaalsContact ND2-OD2 3.08Å; D697-G699 PolarHBondContact O-N 2.91Å; D697-G699 VanDerWaalsContact O-N 3.16Å
698	F	92.8	Very high	86.4	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-77.7	13.9	174.8	-51.8	-49.1	0	0	0	113.4	E599 V602 Y603 F606 L667 I695 L700 C701	E599-F698 HydrophobicContact CG-CB 3.79Å; E599-F698 PolarHBondContact OE1-N 2.9Å; V602-F698 HydrophobicContact CB-CB 3.95Å; V602-F698 HydrophobicContact CB-CD2 4.02Å; V602-F698 HydrophobicContact CB-CG 4.15Å; V602-F698 HydrophobicContact CG1-CB 3.9Å; V602-F698 HydrophobicContact CG1-CD1 4.26Å; V602-F698 HydrophobicContact CG1-CD2 3.78Å; V602-F698 HydrophobicContact CG1-CE2 4.4Å; V602-F698 HydrophobicContact CG1-CG 3.72Å; V602-F698 HydrophobicContact CG2-CB 4.11Å; Y603-F698 HydrophobicContact CD1-CD2 4.42Å; Y603-F698 AromaticContact CD1-CE2 3.89Å; Y603-F698 HydrophobicContact CD1-CE2 3.89Å; Y603-F698 AromaticContact CD2-CD2 3.78Å; Y603-F698 HydrophobicContact CD2-CD2 3.78Å; Y603-F698 HydrophobicContact CD2-CE2 4.08Å; Y603-F698 HydrophobicContact CE1-CD2 4.2Å; Y603-F698 AromaticContact CE1-CE2 3.58Å; Y603-F698 HydrophobicContact CE1-CE2 3.58Å; Y603-F698 AromaticContact CE2-CD2 3.49Å; Y603-F698 HydrophobicContact CE2-CD2 3.49Å; Y603-F698 VanDerWaalsContact CE2-CD2 3.49Å; Y603-F698 AromaticContact CE2-CE2 3.77Å; Y603-F698 HydrophobicContact CE2-CE2 3.77Å; Y603-F698 HydrophobicContact CG-CD2 4.22Å; Y603-F698 HydrophobicContact CG-CE2 4.11Å; Y603-F698 AromaticContact CZ-CD2 3.71Å; Y603-F698 AromaticContact CZ-CE2 3.5Å; Y603-F698 VanDerWaalsContact CZ-CE2 3.5Å; F606-F698 HydrophobicContact CD1-CE1 4.34Å; F606-F698 AromaticContact CD1-CE2 3.94Å; F606-F698 HydrophobicContact CD1-CE2 3.94Å; F606-F698 AromaticContact CD1-CZ 3.52Å; F606-F698 HydrophobicContact CD1-CZ 3.52Å; F606-F698 HydrophobicContact CE1-CE1 4.28Å; F606-F698 HydrophobicContact CE1-CE2 4.43Å; F606-F698 AromaticContact CE1-CZ 3.61Å; F606-F698 HydrophobicContact CE1-CZ 3.61Å; L667-F698 HydrophobicContact CD1-CE1 4.31Å; L667-F698 HydrophobicContact CD2-CE1 4.41Å; I695-F698 HydrophobicContact CG1-CE1 4.28Å; I695-F698 HydrophobicContact CG2-CE1 3.9Å; I695-F698 HydrophobicContact CG2-CZ 3.98Å; I695-F698 WeakPolarHBondContact O-CZ 3.37Å; F698-L700 PolarHBondContact O-N 3.07Å; F698-C701 HydrophobicContact CB-CB 4.1Å; F698-C701 VanDerWaalsContact CB-SG 3.56Å; F698-C701 VanDerWaalsContact O-CB 3.31Å; F698-C701 WeakPolarHBondContact O-CB 3.25Å; F698-C701 PolarHBondContact O-N 3.3Å
699	G	86.4	Confident	86	Confident	7 Å²	7	47.5 Å²	47.5	7%	0.072	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-60.9	-18.2	-178.2	0	0	0	0	0	114.4	D697	D697-G699 PolarHBondContact O-N 2.91Å; D697-G699 VanDerWaalsContact O-N 3.16Å
700	L	89.5	Confident	85.7	Confident	22 Å²	22	51.7 Å²	51.7	12%	0.115	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-105	1.3	172.6	-76.2	177.8	0	0	0	114.8	F565 H674 R675 D676 F698	F565-L700 HydrophobicContact CE2-CD2 4.19Å; F565-L700 HydrophobicContact CE2-CG 4.06Å; F565-L700 HydrophobicContact CZ-CD2 3.82Å; F565-L700 HydrophobicContact CZ-CG 4.22Å; H674-L700 CarbonylContact O-C 3.55Å; R675-L700 PolarHBondContact NE-O 2.94Å; R675-L700 PolarHBondContact NH2-O 3.31Å; D676-L700 HydrophobicContact CB-CB 4.49Å; D676-L700 HydrophobicContact CB-CD1 3.8Å; F698-L700 PolarHBondContact O-N 3.07Å
701	C	93.6	Very high	85.8	Confident	3 Å²	3	51.7 Å²	51.7	2%	0.02	24%	0.243	C	C	.	.			trans	-62.8	147.4	-179.7	-77	0	0	0	0	113.3	W598 V602 F672 I673 F698	W598-C701 PolarHBondContact NE1-O 2.86Å; V602-C701 HydrophobicContact CG1-CB 4.38Å; V602-C701 HydrophobicContact CG2-CB 3.89Å; F672-C701 HydrophobicContact CD1-CB 4.33Å; I673-C701 VanDerWaalsContact O-CA 3.26Å; I673-C701 WeakPolarHBondContact O-CA 3.16Å; F698-C701 HydrophobicContact CB-CB 4.1Å; F698-C701 VanDerWaalsContact CB-SG 3.56Å; F698-C701 VanDerWaalsContact O-CB 3.31Å; F698-C701 WeakPolarHBondContact O-CB 3.25Å; F698-C701 PolarHBondContact O-N 3.3Å
702	R	91.8	Very high	86.1	Confident	54 Å²	54	53.7 Å²	53.7	20%	0.204	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	140.2	179.2	164.8	170.7	172.6	66.3	7.7	109.2	F672 I673 R715 D736	F672-R702 CarbonylContact C-O 3.6Å; F672-R702 WeakPolarHBondContact CA-O 3.46Å; I673-R702 HydrophobicContact CD1-CB 4.37Å; I673-R702 HydrophobicContact CD1-CG 4.4Å; I673-R702 HydrophobicContact CG1-CB 4.08Å; I673-R702 HydrophobicContact CG1-CG 4.46Å; I673-R702 WeakPolarHBondContact CG1-O 3.3Å; I673-R702 PolarHBondContact N-O 2.93Å; I673-R702 PolarHBondContact O-N 2.7Å; R702-R715 VanDerWaalsContact CZ-NE 3.26Å; R702-D736 IonicContact CZ-OD2 2.99Å; R702-D736 IonicContact NE-OD1 2.64Å; R702-D736 IonicContact NE-OD2 2.95Å; R702-D736 PolarHBondContact NE-OD2 3.18Å; R702-D736 VanDerWaalsContact NE-OD2 3.13Å; R702-D736 IonicContact NH2-OD2 3.97Å; R702-D736 PolarHBondContact NH2-OD2 3.3Å
703	K	91.9	Very high	85.8	Confident	61 Å²	61	55.6 Å²	55.6	27%	0.265	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	133.9	168.3	-71.4	-157	168.3	-156	0	110.6	C671 F672 F712	C671-K703 CarbonylContact O-C 3.57Å; C671-K703 VanDerWaalsContact O-CA 3.23Å; C671-K703 WeakPolarHBondContact O-CA 2.87Å; F672-K703 HydrophobicContact CD1-CG 3.71Å; F672-K703 HydrophobicContact CE1-CD 4.32Å; F672-K703 HydrophobicContact CE1-CG 3.43Å; F672-K703 VanDerWaalsContact CE1-CG 3.43Å; F672-K703 HydrophobicContact CE2-CG 4.35Å; F672-K703 HydrophobicContact CG-CG 4.3Å; F672-K703 HydrophobicContact CZ-CD 4.21Å; F672-K703 HydrophobicContact CZ-CG 3.8Å; K703-F712 HydrophobicContact CB-CE2 3.92Å; K703-F712 WeakPolarHBondContact O-CD2 3.16Å; K703-F712 WeakPolarHBondContact O-CE2 3.32Å
704	Y	90.1	Very high	85.5	Confident	21 Å²	21	58.6 Å²	58.6	8%	0.082	28%	0.282	C	S	.	.			trans	-100.1	-19.3	175.8	78.6	-93.2	0	0	0	113.2	H668 C671 I673 P711 F712 R739	H668-Y704 HydrophobicContact CB-CE1 4.32Å; H668-Y704 WeakPolarHBondContact O-CE1 3.13Å; H668-Y704 PolarHBondContact O-OH 2.53Å; C671-Y704 VanDerWaalsContact O-CD1 3.29Å; C671-Y704 WeakPolarHBondContact O-CD1 3.4Å; C671-Y704 PolarHBondContact O-N 3.16Å; I673-Y704 HydrophobicContact CG2-CD1 3.99Å; I673-Y704 HydrophobicContact CG2-CG 4.31Å; Y704-P711 WeakPolarHBondContact O-CA 3.34Å; Y704-F712 VanDerWaalsContact O-CD2 3.29Å; Y704-F712 WeakPolarHBondContact O-CD2 3.35Å; Y704-F712 PolarHBondContact O-N 3.35Å; Y704-R739 HydrophobicContact CD1-CG 4.43Å; Y704-R739 HydrophobicContact CE1-CG 4.31Å; Y704-R739 PolarHBondContact OH-NH1 2.74Å
705	C	86.6	Confident	85.1	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	165.5	177.2	59.4	0	0	0	0	113.2	C671 Y710	C671-C705 VanDerWaalsContact CB-SG 3.55Å; C705-Y710 CarbonylContact C-O 3.6Å; C705-Y710 WeakPolarHBondContact CA-O 3.45Å; C705-Y710 WeakPolarHBondContact CB-O 3.46Å
706	H	78	Confident	84.4	Confident	102 Å²	102	71.7 Å²	71.7	47%	0.472	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	129.6	156.2	-146.3	-88.5	0	0	0	108.5	K708 E709 Y710	H706-K708 VanDerWaalsContact C-N 3.28Å; H706-K708 PolarHBondContact O-N 3.29Å; H706-E709 PolarHBondContact O-N 3.15Å; H706-Y710 PolarHBondContact N-O 2.82Å; H706-Y710 PolarHBondContact O-N 3.15Å; H706-Y710 VanDerWaalsContact O-N 3.13Å
707	E	69.6	Low	83.5	Confident	146 Å²	146	74.9 Å²	74.9	68%	0.682	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	44	46.2	166	-69.8	156.7	163.6	0	0	115.3	E709	E707-E709 PolarHBondContact O-N 3.44Å
708	K	64.7	Low	83.1	Confident	113 Å²	113	73.7 Å²	73.7	49%	0.491	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.8	-48.6	-173.1	-66.2	-170.5	168.5	-164.9	0	115.8	N669 C671 H706 Y710	N669-K708 WeakPolarHBondContact O-CE 3.43Å; N669-K708 PolarHBondContact OD1-NZ 3.13Å; C671-K708 PolarHBondContact SG-N 3.05Å; H706-K708 VanDerWaalsContact C-N 3.28Å; H706-K708 PolarHBondContact O-N 3.29Å; K708-Y710 PolarHBondContact O-N 3.33Å
709	E	69	Low	82.8	Confident	148 Å²	148	74.7 Å²	74.7	69%	0.692	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-29.3	-167.4	-63.9	-175.7	167.3	0	0	114.6	H706 E707 P711	H706-E709 PolarHBondContact O-N 3.15Å; E707-E709 PolarHBondContact O-N 3.44Å; E709-P711 WeakPolarHBondContact O-CD 3.41Å
710	Y	77.2	Confident	83	Confident	152 Å²	152	77.5 Å²	77.5	60%	0.596	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.6	85.2	-169	-58.8	-75.5	0	0	0	112.4	C705 H706 K708	C705-Y710 CarbonylContact C-O 3.6Å; C705-Y710 WeakPolarHBondContact CA-O 3.45Å; C705-Y710 WeakPolarHBondContact CB-O 3.46Å; H706-Y710 PolarHBondContact N-O 2.82Å; H706-Y710 PolarHBondContact O-N 3.15Å; H706-Y710 VanDerWaalsContact O-N 3.13Å; K708-Y710 PolarHBondContact O-N 3.33Å
711	P	81	Confident	83	Confident	62 Å²	62	80.9 Å²	80.9	40%	0.403	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	136.7	173.5	27	-34.1	0	0	0	111.1	Y704 E709 T799	Y704-P711 WeakPolarHBondContact O-CA 3.34Å; E709-P711 WeakPolarHBondContact O-CD 3.41Å; P711-T799 HydrophobicContact CB-CG2 4.07Å; P711-T799 HydrophobicContact CG-CG2 4.05Å
712	F	86.4	Confident	82.8	Confident	78 Å²	78	81.5 Å²	81.5	34%	0.342	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-66.5	159.4	172	-58.3	-54.2	0	0	0	110.6	K703 Y704 Y798	K703-F712 HydrophobicContact CB-CE2 3.92Å; K703-F712 WeakPolarHBondContact O-CD2 3.16Å; K703-F712 WeakPolarHBondContact O-CE2 3.32Å; Y704-F712 VanDerWaalsContact O-CD2 3.29Å; Y704-F712 WeakPolarHBondContact O-CD2 3.35Å; Y704-F712 PolarHBondContact O-N 3.35Å; F712-Y798 WeakPolarHBondContact O-CE1 3.25Å
713	S	83.3	Confident	82.7	Confident	98 Å²	98	81.1 Å²	81.1	69%	0.685	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-67.3	154.7	171.5	45.9	0	0	0	0	112.6	R715 Y798	S713-R715 PolarHBondContact O-N 2.89Å; S713-Y798 PolarHBondContact O-OH 2.79Å
714	E	88.6	Confident	82.8	Confident	63 Å²	63	80.3 Å²	80.3	29%	0.294	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-65.6	130.3	170.8	-173.3	169.6	168.5	0	0	109.4	R730 D736 Y798	E714-R730 IonicContact OE1-CZ 3.56Å; E714-R730 IonicContact OE1-NH1 2.71Å; E714-R730 IonicContact OE1-NH2 3.64Å; E714-R730 PolarHBondContact OE1-NH2 2.98Å; E714-R730 IonicContact OE2-NH1 2.79Å; E714-R730 IonicContact OE2-NH2 3.52Å; E714-R730 PolarHBondContact OE2-NH2 2.9Å; E714-D736 HydrophobicContact CG-CB 4.27Å; E714-Y798 VanDerWaalsContact CA-CE1 3.46Å; E714-Y798 HydrophobicContact CB-CD1 3.69Å; E714-Y798 HydrophobicContact CB-CD2 4.11Å; E714-Y798 HydrophobicContact CB-CE1 3.9Å; E714-Y798 HydrophobicContact CB-CE2 4.31Å; E714-Y798 HydrophobicContact CB-CG 3.8Å; E714-Y798 HydrophobicContact CG-CD1 4.42Å; E714-Y798 HydrophobicContact CG-CD2 3.92Å; E714-Y798 HydrophobicContact CG-CE2 4.14Å; E714-Y798 HydrophobicContact CG-CG 4.06Å; E714-Y798 WeakPolarHBondContact OE2-CB 3.41Å
715	R	85.8	Confident	82.9	Confident	93 Å²	93	83 Å²	83	35%	0.351	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-91.5	142.3	175	-63.8	-179	-61.3	130.6	9.6	111	R702 S713 V718 D736	R702-R715 VanDerWaalsContact CZ-NE 3.26Å; S713-R715 PolarHBondContact O-N 2.89Å; R715-V718 HydrophobicContact CB-CG1 3.58Å; R715-V718 VanDerWaalsContact CZ-CG1 3.48Å; R715-D736 HydrophobicContact CB-CB 4.14Å; R715-D736 IonicContact CZ-OD1 3.53Å; R715-D736 IonicContact CZ-OD2 3.98Å; R715-D736 VanDerWaalsContact CZ-OD2 3.28Å; R715-D736 IonicContact NE-OD1 2.72Å; R715-D736 IonicContact NE-OD2 2.69Å; R715-D736 PolarHBondContact NE-OD2 2.86Å; R715-D736 IonicContact NH2-OD1 2.72Å; R715-D736 PolarHBondContact NH2-OD1 3.02Å; R715-D736 IonicContact NH2-OD2 3.24Å; R715-D736 PolarHBondContact NH2-OD2 3.13Å
716	F	81.2	Confident	83.2	Confident	194 Å²	194	83.8 Å²	83.8	85%	0.851	40%	0.404	S	S	*	.	S	Bend	trans	-81.9	149.8	175.4	-52	-77.4	0	0	0	111.7	V718	F716-V718 PolarHBondContact O-N 3.16Å
717	D	74.5	Confident	83.9	Confident	112 Å²	112	79.2 Å²	79.2	60%	0.599	38%	0.384	S	S	*	.			trans	27.6	67.9	-177.7	-162.8	7.5	0	0	0	115.7	G719 K734	D717-G719 PolarHBondContact O-N 3.15Å; D717-K734 WeakPolarHBondContact OD1-CB 2.89Å; D717-K734 WeakPolarHBondContact OD1-CD 3.19Å; D717-K734 IonicContact OD1-NZ 2.72Å; D717-K734 IonicContact OD2-NZ 3.61Å
718	V	83.3	Confident	85	Confident	18 Å²	18	72.3 Å²	72.3	11%	0.109	35%	0.352	C	S	.	.			trans	-79.4	-1.7	-178.4	-52.7	0	0	0	0	113.1	R715 F716 R721 K734 K735 D736	R715-V718 HydrophobicContact CB-CG1 3.58Å; R715-V718 VanDerWaalsContact CZ-CG1 3.48Å; F716-V718 PolarHBondContact O-N 3.16Å; V718-R721 PolarHBondContact O-NH1 2.82Å; V718-R721 PolarHBondContact O-NH2 2.95Å; V718-K734 PolarHBondContact N-O 2.74Å; V718-K735 WeakPolarHBondContact CG2-O 3.34Å; V718-D736 HydrophobicContact CG1-CB 3.82Å; V718-D736 HydrophobicContact CG2-CB 4.39Å
719	G	87.1	Confident	86.3	Confident	21 Å²	21	68.9 Å²	68.9	22%	0.216	34%	0.341	C	S	.	.			trans	69.9	163	-168.1	0	0	0	0	0	113.4	D717 R721	D717-G719 PolarHBondContact O-N 3.15Å; G719-R721 PolarHBondContact O-NH1 2.97Å
720	F	90.8	Very high	87.4	Confident	66 Å²	66	64.1 Å²	64.1	29%	0.289	32%	0.317	S	S	.	.			trans	-58.2	142.4	176.1	179.7	-98.4	0	0	0	111.8	G722 V724 A727 A731	F720-G722 WeakPolarHBondContact CE1-O 3.47Å; F720-G722 WeakPolarHBondContact CZ-O 3.04Å; F720-V724 HydrophobicContact CE1-CG2 3.84Å; F720-V724 HydrophobicContact CZ-CB 4.22Å; F720-V724 HydrophobicContact CZ-CG2 3.79Å; F720-A727 HydrophobicContact CE2-CB 3.91Å; F720-A727 HydrophobicContact CZ-CB 3.89Å; F720-A731 HydrophobicContact CD2-CB 4.42Å; F720-A731 WeakPolarHBondContact CD2-O 3.31Å; F720-A731 HydrophobicContact CE2-CB 4.19Å
721	R	88.7	Confident	88.1	Confident	94 Å²	94	57 Å²	57	36%	0.355	29%	0.29	S	S	.	.			trans	-143	157	172	-67.1	-58.8	-179.3	-61.2	-5.3	110.1	V718 G719 L737	V718-R721 PolarHBondContact O-NH1 2.82Å; V718-R721 PolarHBondContact O-NH2 2.95Å; G719-R721 PolarHBondContact O-NH1 2.97Å; R721-L737 HydrophobicContact CB-CD1 4.35Å
722	G	88.7	Confident	88.6	Confident	16 Å²	16	54.8 Å²	54.8	17%	0.165	27%	0.273	C	S	.	.	S	Bend	trans	82.9	-171.7	-176.2	0	0	0	0	0	113.6	R675 D676 F720	R675-G722 WeakPolarHBondContact O-CA 3.18Å; R675-G722 PolarHBondContact O-N 3.15Å; D676-G722 VanDerWaalsContact OD1-C 3.26Å; D676-G722 VanDerWaalsContact OD1-CA 3.26Å; D676-G722 WeakPolarHBondContact OD1-CA 3.35Å; F720-G722 WeakPolarHBondContact CE1-O 3.47Å; F720-G722 WeakPolarHBondContact CZ-O 3.04Å
723	T	91.3	Very high	88.9	Confident	45 Å²	45	55.5 Å²	55.5	28%	0.276	28%	0.281	S	S	.	.			trans	-99.3	118.8	-175	-64	0	0	0	0	111.1	D676 K678 R725 Y726 A727	D676-T723 VanDerWaalsContact OD1-CB 3.27Å; D676-T723 WeakPolarHBondContact OD1-CB 3.36Å; D676-T723 PolarHBondContact OD1-N 2.83Å; D676-T723 PolarHBondContact OD1-OG1 3.05Å; K678-T723 HydrophobicContact CD-CG2 4.2Å; K678-T723 WeakPolarHBondContact CD-OG1 3.47Å; K678-T723 PolarHBondContact NZ-OG1 2.89Å; T723-R725 PolarHBondContact O-N 3.35Å; T723-Y726 HydrophobicContact CG2-CD2 4.06Å; T723-Y726 HydrophobicContact CG2-CE2 4.37Å; T723-Y726 PolarHBondContact O-N 3.31Å; T723-A727 WeakPolarHBondContact O-CB 3.4Å; T723-A727 PolarHBondContact O-N 2.99Å
724	V	92.3	Very high	89.2	Confident	44 Å²	44	55.7 Å²	55.7	27%	0.267	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.1	-34.7	-169.9	-162.6	0	0	0	0	114.7	F720 H732 I769 K773	F720-V724 HydrophobicContact CE1-CG2 3.84Å; F720-V724 HydrophobicContact CZ-CB 4.22Å; F720-V724 HydrophobicContact CZ-CG2 3.79Å; V724-H732 PolarHBondContact O-NE2 3.49Å; V724-I769 HydrophobicContact CB-CD1 4.42Å; V724-I769 HydrophobicContact CG1-CD1 3.57Å; V724-K773 PolarHBondContact O-NZ 3.15Å
725	R	92.5	Very high	89.3	Confident	79 Å²	79	57.3 Å²	57.3	30%	0.298	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-49.7	175.6	-176.5	-179	-69.6	169.9	4.4	112.4	T723 E752 L758 W760 K761 K773	T723-R725 PolarHBondContact O-N 3.35Å; R725-E752 IonicContact CZ-OE1 2.72Å; R725-E752 IonicContact NE-OE1 3.41Å; R725-E752 IonicContact NH1-OE1 3.59Å; R725-E752 PolarHBondContact NH1-OE1 3.19Å; R725-E752 VanDerWaalsContact NH1-OE1 3.15Å; R725-E752 IonicContact NH1-OE2 3.62Å; R725-E752 PolarHBondContact NH1-OE2 2.93Å; R725-L758 HydrophobicContact CG-CD1 3.59Å; R725-W760 PolarHBondContact O-NE1 3.38Å; R725-K761 PolarHBondContact NH2-O 3.11Å; R725-K773 WeakPolarHBondContact O-CE 3.36Å; R725-K773 PolarHBondContact O-NZ 3.36Å; R725-K773 VanDerWaalsContact O-NZ 3.07Å
726	Y	93.9	Very high	89.5	Confident	15 Å²	15	52.9 Å²	52.9	6%	0.059	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-20.2	-172.5	-46.8	-80.6	0	0	0	113.5	K678 P679 T723 S745 Y748 E752 L758	K678-Y726 HydrophobicContact CB-CD2 3.4Å; K678-Y726 VanDerWaalsContact CB-CD2 3.4Å; K678-Y726 HydrophobicContact CB-CE2 3.69Å; K678-Y726 HydrophobicContact CB-CG 4.05Å; P679-Y726 VanDerWaalsContact CD-CZ 3.41Å; P679-Y726 HydrophobicContact CG-CE1 4.22Å; T723-Y726 HydrophobicContact CG2-CD2 4.06Å; T723-Y726 HydrophobicContact CG2-CE2 4.37Å; T723-Y726 PolarHBondContact O-N 3.31Å; Y726-S745 WeakPolarHBondContact O-CA 3.05Å; Y726-S745 WeakPolarHBondContact O-CB 3.47Å; Y726-S745 PolarHBondContact O-OG 2.91Å; Y726-Y748 VanDerWaalsContact O-CD2 3.24Å; Y726-Y748 WeakPolarHBondContact O-CD2 3.21Å; Y726-E752 VanDerWaalsContact CE1-OE2 3.29Å; Y726-E752 WeakPolarHBondContact CE1-OE2 3.36Å; Y726-E752 VanDerWaalsContact CZ-OE2 3.29Å; Y726-E752 PolarHBondContact OH-OE2 3.09Å; Y726-L758 HydrophobicContact CD1-CD1 4.04Å; Y726-L758 HydrophobicContact CE1-CD1 3.99Å
727	A	93.1	Very high	90	Very high	6 Å²	6	44.1 Å²	44.1	5%	0.05	22%	0.22	C	C	.	.			trans	-56.7	143.4	-177.7	0	0	0	0	0	112.6	F720 T723 A731 K773	F720-A727 HydrophobicContact CE2-CB 3.91Å; F720-A727 HydrophobicContact CZ-CB 3.89Å; T723-A727 WeakPolarHBondContact O-CB 3.4Å; T723-A727 PolarHBondContact O-N 2.99Å; A727-A731 HydrophobicContact CB-CB 3.86Å; A727-K773 PolarHBondContact O-NZ 2.82Å
728	S	92.4	Very high	90.8	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.014	19%	0.193	C	C	.	.			trans	-66.5	167.5	-178.3	75.7	0	0	0	0	113.4	R730 A731 H732 D741	S728-R730 PolarHBondContact O-N 3.07Å; S728-R730 PolarHBondContact OG-N 2.86Å; S728-A731 WeakPolarHBondContact O-CB 3.35Å; S728-A731 PolarHBondContact O-N 2.88Å; S728-A731 VanDerWaalsContact O-N 3.15Å; S728-A731 PolarHBondContact OG-N 2.86Å; S728-H732 PolarHBondContact O-CD2 2.7Å; S728-H732 PolarHBondContact O-N 3.04Å; S728-D741 WeakPolarHBondContact CB-OD1 3.4Å; S728-D741 PolarHBondContact OG-OD1 3.08Å
729	T	91.6	Very high	91.2	Very high	41 Å²	41	38.7 Å²	38.7	25%	0.252	19%	0.19	S	C	.	.	H	α-helix	trans	-59.4	-33.6	170.8	48.4	0	0	0	0	112	A731 H732 L733 L770 K773 L774	T729-A731 VanDerWaalsContact C-N 3.35Å; T729-A731 PolarHBondContact O-N 3.21Å; T729-H732 PolarHBondContact O-N 3.03Å; T729-L733 WeakPolarHBondContact O-CB 3.45Å; T729-L733 VanDerWaalsContact O-CG 3.24Å; T729-L733 WeakPolarHBondContact O-CG 3.32Å; T729-L733 PolarHBondContact O-N 3.33Å; T729-L770 HydrophobicContact CG2-CD1 4.09Å; T729-K773 HydrophobicContact CG2-CB 3.9Å; T729-L774 HydrophobicContact CG2-CD2 4.13Å; T729-L774 HydrophobicContact CG2-CG 4.5Å
730	R	91.3	Very high	91.3	Very high	48 Å²	48	38.2 Å²	38.2	18%	0.181	18%	0.184	C	C	.	.	H	α-helix	trans	-62.2	-39.8	174.3	-65.2	179	52.7	84.8	13.1	112	E714 S728 L733 K734 K735 D736 L737 D741	E714-R730 IonicContact OE1-CZ 3.56Å; E714-R730 IonicContact OE1-NH1 2.71Å; E714-R730 IonicContact OE1-NH2 3.64Å; E714-R730 PolarHBondContact OE1-NH2 2.98Å; E714-R730 IonicContact OE2-NH1 2.79Å; E714-R730 IonicContact OE2-NH2 3.52Å; E714-R730 PolarHBondContact OE2-NH2 2.9Å; S728-R730 PolarHBondContact O-N 3.07Å; S728-R730 PolarHBondContact OG-N 2.86Å; R730-L733 CarbonylContact O-C 3.58Å; R730-L733 PolarHBondContact O-N 2.77Å; R730-K734 PolarHBondContact O-N 3.34Å; R730-K734 VanDerWaalsContact O-N 3.12Å; R730-K735 HydrophobicContact CB-CB 4.25Å; R730-K735 PolarHBondContact O-N 2.92Å; R730-D736 PolarHBondContact NH2-O 2.92Å; R730-L737 HydrophobicContact CB-CD2 4.05Å; R730-D741 WeakPolarHBondContact CB-OD1 3.48Å; R730-D741 WeakPolarHBondContact CD-OD1 3.27Å; R730-D741 WeakPolarHBondContact CD-OD2 3.38Å; R730-D741 IonicContact NE-OD1 3.17Å; R730-D741 IonicContact NE-OD2 2.67Å; R730-D741 PolarHBondContact NE-OD2 3.33Å
731	A	92.7	Very high	91.3	Very high	3 Å²	3	35.3 Å²	35.3	3%	0.025	17%	0.171	C	C	.	.	H	α-helix	trans	-64.6	-47.2	176.2	0	0	0	0	0	112.4	F720 A727 S728 T729 L733 K734 L737	F720-A731 HydrophobicContact CD2-CB 4.42Å; F720-A731 WeakPolarHBondContact CD2-O 3.31Å; F720-A731 HydrophobicContact CE2-CB 4.19Å; A727-A731 HydrophobicContact CB-CB 3.86Å; S728-A731 WeakPolarHBondContact O-CB 3.35Å; S728-A731 PolarHBondContact O-N 2.88Å; S728-A731 VanDerWaalsContact O-N 3.15Å; S728-A731 PolarHBondContact OG-N 2.86Å; T729-A731 VanDerWaalsContact C-N 3.35Å; T729-A731 PolarHBondContact O-N 3.21Å; A731-L733 PolarHBondContact O-N 3.48Å; A731-K734 PolarHBondContact O-N 3.23Å; A731-L737 HydrophobicContact CB-CD1 4.13Å; A731-L737 HydrophobicContact CB-CD2 3.79Å
732	H	92.2	Very high	91.6	Very high	14 Å²	14	30.9 Å²	30.9	7%	0.065	16%	0.155	C	C	.	.	H	α-helix	trans	-57.7	-37	172.9	-74.6	-81.7	0	0	0	112.1	V724 S728 T729 K734 S766 L770 K773	V724-H732 PolarHBondContact O-NE2 3.49Å; S728-H732 PolarHBondContact O-CD2 2.7Å; S728-H732 PolarHBondContact O-N 3.04Å; T729-H732 PolarHBondContact O-N 3.03Å; H732-K734 VanDerWaalsContact C-N 3.26Å; H732-K734 PolarHBondContact O-N 2.7Å; H732-S766 PolarHBondContact CE1-O 2.87Å; H732-S766 PolarHBondContact ND1-O 1.91Å; H732-S766 VanDerWaalsContact ND1-O 3.09Å; H732-S766 PolarHBondContact ND1-OG 3.44Å; H732-L770 HydrophobicContact CB-CB 4Å; H732-L770 HydrophobicContact CB-CD1 3.9Å; H732-L770 HydrophobicContact CB-CD2 4.16Å; H732-L770 HydrophobicContact CB-CG 4.23Å; H732-K773 PolarHBondContact NE2-NZ 3.01Å
733	L	91.1	Very high	91.7	Very high	94 Å²	94	30.2 Å²	30.2	49%	0.492	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	11.1	175.9	-66	170	0	0	0	114.2	T729 R730 A731 K735 L770	T729-L733 WeakPolarHBondContact O-CB 3.45Å; T729-L733 VanDerWaalsContact O-CG 3.24Å; T729-L733 WeakPolarHBondContact O-CG 3.32Å; T729-L733 PolarHBondContact O-N 3.33Å; R730-L733 CarbonylContact O-C 3.58Å; R730-L733 PolarHBondContact O-N 2.77Å; A731-L733 PolarHBondContact O-N 3.48Å; L733-K735 HydrophobicContact CB-CG 4.45Å; L733-K735 PolarHBondContact O-N 2.64Å; L733-K735 VanDerWaalsContact O-N 3.13Å; L733-L770 HydrophobicContact CD2-CD2 3.86Å; L733-L770 HydrophobicContact CG-CD1 4.36Å; L733-L770 HydrophobicContact CG-CD2 4.28Å
734	K	91	Very high	91.7	Very high	102 Å²	102	29 Å²	29	44%	0.443	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	20.7	177.8	-46.8	-177.8	-172	174.6	0	116.2	D717 V718 R730 A731 H732	D717-K734 WeakPolarHBondContact OD1-CB 2.89Å; D717-K734 WeakPolarHBondContact OD1-CD 3.19Å; D717-K734 IonicContact OD1-NZ 2.72Å; D717-K734 IonicContact OD2-NZ 3.61Å; V718-K734 PolarHBondContact N-O 2.74Å; R730-K734 PolarHBondContact O-N 3.34Å; R730-K734 VanDerWaalsContact O-N 3.12Å; A731-K734 PolarHBondContact O-N 3.23Å; H732-K734 VanDerWaalsContact C-N 3.26Å; H732-K734 PolarHBondContact O-N 2.7Å
735	K	90.3	Very high	91.7	Very high	97 Å²	97	27.2 Å²	27.2	42%	0.422	13%	0.129	S	C	.	.	P	Polyproline II helix	trans	-75.8	154.7	175.1	-62.1	-168.2	174.5	-167.8	0	110.9	V718 R730 L733	V718-K735 WeakPolarHBondContact CG2-O 3.34Å; R730-K735 HydrophobicContact CB-CB 4.25Å; R730-K735 PolarHBondContact O-N 2.92Å; L733-K735 HydrophobicContact CB-CG 4.45Å; L733-K735 PolarHBondContact O-N 2.64Å; L733-K735 VanDerWaalsContact O-N 3.13Å
736	D	89.9	Confident	91.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.115	C	C	.	.	P	Polyproline II helix	trans	-65.2	141.8	172.6	-150.6	9.9	0	0	0	110.1	R702 E714 R715 V718 R730 Y798	R702-D736 IonicContact CZ-OD2 2.99Å; R702-D736 IonicContact NE-OD1 2.64Å; R702-D736 IonicContact NE-OD2 2.95Å; R702-D736 PolarHBondContact NE-OD2 3.18Å; R702-D736 VanDerWaalsContact NE-OD2 3.13Å; R702-D736 IonicContact NH2-OD2 3.97Å; R702-D736 PolarHBondContact NH2-OD2 3.3Å; E714-D736 HydrophobicContact CG-CB 4.27Å; R715-D736 HydrophobicContact CB-CB 4.14Å; R715-D736 IonicContact CZ-OD1 3.53Å; R715-D736 IonicContact CZ-OD2 3.98Å; R715-D736 VanDerWaalsContact CZ-OD2 3.28Å; R715-D736 IonicContact NE-OD1 2.72Å; R715-D736 IonicContact NE-OD2 2.69Å; R715-D736 PolarHBondContact NE-OD2 2.86Å; R715-D736 IonicContact NH2-OD1 2.72Å; R715-D736 PolarHBondContact NH2-OD1 3.02Å; R715-D736 IonicContact NH2-OD2 3.24Å; R715-D736 PolarHBondContact NH2-OD2 3.13Å; V718-D736 HydrophobicContact CG1-CB 3.82Å; V718-D736 HydrophobicContact CG2-CB 4.39Å; R730-D736 PolarHBondContact NH2-O 2.92Å; D736-Y798 HydrophobicContact CB-CE2 3.83Å; D736-Y798 PolarHBondContact OD2-OH 2.85Å
737	L	92	Very high	91.6	Very high	9 Å²	9	22.7 Å²	22.7	5%	0.047	11%	0.112	C	C	.	.	P	Polyproline II helix	trans	-91.3	146.7	-171.1	-58.8	178.4	0	0	0	110.8	I673 R675 R721 R730 A731 D741 Y798	I673-L737 WeakPolarHBondContact CD1-O 3.31Å; R675-L737 HydrophobicContact CB-CD1 3.87Å; R675-L737 HydrophobicContact CG-CB 4.03Å; R675-L737 HydrophobicContact CG-CD1 4.03Å; R721-L737 HydrophobicContact CB-CD1 4.35Å; R730-L737 HydrophobicContact CB-CD2 4.05Å; A731-L737 HydrophobicContact CB-CD1 4.13Å; A731-L737 HydrophobicContact CB-CD2 3.79Å; L737-D741 VanDerWaalsContact CA-OD2 3.25Å; L737-D741 WeakPolarHBondContact CA-OD2 3.2Å; L737-D741 HydrophobicContact CB-CB 4.03Å; L737-D741 HydrophobicContact CD2-CB 4.01Å; L737-D741 HydrophobicContact CG-CB 4.47Å; L737-Y798 WeakPolarHBondContact O-CE2 3.11Å
738	C	90.8	Very high	91.6	Very high	3 Å²	3	22.5 Å²	22.5	2%	0.02	11%	0.11	C	C	.	.			trans	-120.1	-176.7	176.2	71.1	0	0	0	0	112	A740 D741 Y798	C738-A740 PolarHBondContact O-N 3.24Å; C738-D741 PolarHBondContact N-OD2 2.88Å; C738-D741 WeakPolarHBondContact O-CB 3.43Å; C738-D741 PolarHBondContact O-N 3.41Å; C738-Y798 HydrophobicContact CB-CD2 3.76Å; C738-Y798 HydrophobicContact CB-CE2 4.19Å; C738-Y798 HydrophobicContact CB-CG 4.3Å; C738-Y798 WeakPolarHBondContact CB-O 3.46Å
739	R	91.6	Very high	91.6	Very high	14 Å²	14	22.4 Å²	22.4	5%	0.053	11%	0.11	C	C	.	.	H	α-helix	trans	-55	-35.9	179.9	-60.5	-175.7	-81.3	-169	-0	113	H668 I673 Y704 D741 D742 L743 T799 S800 E801 P802	H668-R739 PolarHBondContact CE1-O 2.92Å; I673-R739 HydrophobicContact CG2-CG 4.06Å; Y704-R739 HydrophobicContact CD1-CG 4.43Å; Y704-R739 HydrophobicContact CE1-CG 4.31Å; Y704-R739 PolarHBondContact OH-NH1 2.74Å; R739-D741 VanDerWaalsContact C-N 3.32Å; R739-D741 PolarHBondContact O-N 3.07Å; R739-D742 PolarHBondContact O-N 3.4Å; R739-L743 PolarHBondContact O-N 3.32Å; R739-T799 PolarHBondContact NH2-O 3.18Å; R739-S800 PolarHBondContact NE-O 3.13Å; R739-S800 VanDerWaalsContact NE-O 3.16Å; R739-S800 PolarHBondContact NH2-O 2.69Å; R739-E801 IonicContact CZ-OE1 3.62Å; R739-E801 IonicContact CZ-OE2 3.41Å; R739-E801 IonicContact NH1-OE1 3.62Å; R739-E801 PolarHBondContact NH1-OE1 2.78Å; R739-E801 VanDerWaalsContact NH1-OE1 3.08Å; R739-E801 IonicContact NH1-OE2 2.79Å; R739-E801 PolarHBondContact NH1-OE2 3.2Å; R739-E801 IonicContact NH2-OE2 2.8Å; R739-E801 PolarHBondContact NH2-OE2 3.03Å; R739-P802 HydrophobicContact CB-CG 3.87Å
740	A	89.3	Confident	91.5	Very high	11 Å²	11	20.5 Å²	20.5	9%	0.091	10%	0.098	C	C	.	.	H	α-helix	trans	-70	-23.4	177.9	0	0	0	0	0	114	C738 L743 T744 L796	C738-A740 PolarHBondContact O-N 3.24Å; A740-L743 PolarHBondContact O-N 3.31Å; A740-T744 WeakPolarHBondContact O-CB 3.44Å; A740-T744 PolarHBondContact O-N 2.87Å; A740-T744 PolarHBondContact O-OG1 2.9Å; A740-L796 HydrophobicContact CB-CB 3.62Å; A740-L796 HydrophobicContact CB-CD1 3.65Å; A740-L796 HydrophobicContact CB-CG 4.27Å
741	D	91.7	Very high	91.5	Very high	5 Å²	5	19.1 Å²	19.1	3%	0.027	9%	0.093	C	C	.	.	H	α-helix	trans	-73.6	-33.4	177.5	-70.2	-60.2	0	0	0	111.8	S728 R730 L737 C738 R739 S745	S728-D741 WeakPolarHBondContact CB-OD1 3.4Å; S728-D741 PolarHBondContact OG-OD1 3.08Å; R730-D741 WeakPolarHBondContact CB-OD1 3.48Å; R730-D741 WeakPolarHBondContact CD-OD1 3.27Å; R730-D741 WeakPolarHBondContact CD-OD2 3.38Å; R730-D741 IonicContact NE-OD1 3.17Å; R730-D741 IonicContact NE-OD2 2.67Å; R730-D741 PolarHBondContact NE-OD2 3.33Å; L737-D741 VanDerWaalsContact CA-OD2 3.25Å; L737-D741 WeakPolarHBondContact CA-OD2 3.2Å; L737-D741 HydrophobicContact CB-CB 4.03Å; L737-D741 HydrophobicContact CD2-CB 4.01Å; L737-D741 HydrophobicContact CG-CB 4.47Å; C738-D741 PolarHBondContact N-OD2 2.88Å; C738-D741 WeakPolarHBondContact O-CB 3.43Å; C738-D741 PolarHBondContact O-N 3.41Å; R739-D741 VanDerWaalsContact C-N 3.32Å; R739-D741 PolarHBondContact O-N 3.07Å; D741-S745 WeakPolarHBondContact O-CB 3.46Å; D741-S745 PolarHBondContact O-N 3Å; D741-S745 VanDerWaalsContact O-N 3.11Å; D741-S745 PolarHBondContact O-OG 3.11Å
742	D	93.8	Very high	91.3	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-65.5	-42.5	170.8	-73.2	-31.7	0	0	0	110.7	I664 H668 H674 R675 V677 R739 S745 L746	I664-D742 HydrophobicContact CG2-CB 4.37Å; H668-D742 IonicContact CD2-OD2 2.84Å; H668-D742 WeakPolarHBondContact CE1-CB 3.18Å; H668-D742 IonicContact CE1-OD2 3.36Å; H668-D742 VanDerWaalsContact NE2-CB 3.31Å; H668-D742 WeakPolarHBondContact NE2-CB 3.43Å; H668-D742 IonicContact NE2-OD2 3.13Å; H668-D742 PolarHBondContact NE2-OD2 3.23Å; H674-D742 PolarHBondContact N-OD2 3.21Å; R675-D742 WeakPolarHBondContact CA-OD1 3.45Å; R675-D742 PolarHBondContact N-OD1 3.08Å; V677-D742 HydrophobicContact CG2-CB 3.89Å; R739-D742 PolarHBondContact O-N 3.4Å; D742-S745 WeakPolarHBondContact O-CB 3.39Å; D742-S745 PolarHBondContact O-N 3.1Å; D742-L746 PolarHBondContact O-N 3.24Å
743	L	91.6	Very high	91.2	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-72.1	-34.4	177	-62.3	-176	0	0	0	113.8	L661 I664 R739 A740 S745 L746 F747 P802 Y804 I807	L661-L743 HydrophobicContact CD1-CD2 3.67Å; I664-L743 HydrophobicContact CG2-CD2 4.14Å; R739-L743 PolarHBondContact O-N 3.32Å; A740-L743 PolarHBondContact O-N 3.31Å; L743-S745 PolarHBondContact O-N 2.93Å; L743-L746 HydrophobicContact CD2-CD2 3.95Å; L743-L746 WeakPolarHBondContact O-CB 3.36Å; L743-L746 PolarHBondContact O-N 3.06Å; L743-F747 PolarHBondContact O-N 3.29Å; L743-P802 HydrophobicContact CD1-CB 3.29Å; L743-P802 HydrophobicContact CD1-CG 3.57Å; L743-Y804 HydrophobicContact CD1-CE1 4.24Å; L743-Y804 HydrophobicContact CD2-CE1 4.49Å; L743-I807 HydrophobicContact CD1-CD1 4.01Å
744	T	90.7	Very high	91	Very high	19 Å²	19	16.2 Å²	16.2	12%	0.117	8%	0.077	C	C	.	.	H	α-helix	trans	-60.2	-37.5	169.8	-62.1	0	0	0	0	110.8	A740 F747 Y748	A740-T744 WeakPolarHBondContact O-CB 3.44Å; A740-T744 PolarHBondContact O-N 2.87Å; A740-T744 PolarHBondContact O-OG1 2.9Å; T744-F747 PolarHBondContact O-N 3.3Å; T744-Y748 HydrophobicContact CG2-CD2 4.25Å; T744-Y748 HydrophobicContact CG2-CE2 3.63Å; T744-Y748 WeakPolarHBondContact O-CD2 3.44Å; T744-Y748 PolarHBondContact O-N 3.24Å
745	S	93.4	Very high	90.8	Very high	7 Å²	7	13.3 Å²	13.3	5%	0.049	7%	0.072	C	C	.	.	H	α-helix	trans	-72.3	-38	176.3	-53.5	0	0	0	0	111.7	Y726 D741 D742 L743 F747 Y748 M749	Y726-S745 WeakPolarHBondContact O-CA 3.05Å; Y726-S745 WeakPolarHBondContact O-CB 3.47Å; Y726-S745 PolarHBondContact O-OG 2.91Å; D741-S745 WeakPolarHBondContact O-CB 3.46Å; D741-S745 PolarHBondContact O-N 3Å; D741-S745 VanDerWaalsContact O-N 3.11Å; D741-S745 PolarHBondContact O-OG 3.11Å; D742-S745 WeakPolarHBondContact O-CB 3.39Å; D742-S745 PolarHBondContact O-N 3.1Å; L743-S745 PolarHBondContact O-N 2.93Å; S745-F747 VanDerWaalsContact C-N 3.35Å; S745-Y748 PolarHBondContact O-N 2.93Å; S745-M749 PolarHBondContact O-N 3.5Å
746	L	92.8	Very high	90.5	Very high	0 Å²	0	9 Å²	9	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-61.4	-39.2	171.6	-173.9	64.4	0	0	0	112.1	I657 C660 L661 I664 V677 D742 L743 M749 A750 F792	I657-L746 HydrophobicContact CD1-CD1 3.89Å; I657-L746 HydrophobicContact CD1-CG 4.47Å; I657-L746 HydrophobicContact CG2-CD1 4.37Å; I657-L746 HydrophobicContact CG2-CD2 4.3Å; I657-L746 HydrophobicContact CG2-CG 4.2Å; C660-L746 HydrophobicContact CB-CD1 3.61Å; L661-L746 HydrophobicContact CB-CD2 4.19Å; L661-L746 HydrophobicContact CD1-CD2 4.01Å; I664-L746 HydrophobicContact CD1-CB 4.4Å; I664-L746 HydrophobicContact CD1-CD1 4.3Å; I664-L746 HydrophobicContact CD1-CD2 4.13Å; V677-L746 HydrophobicContact CG1-CB 4.09Å; V677-L746 HydrophobicContact CG1-CD1 4.45Å; D742-L746 PolarHBondContact O-N 3.24Å; L743-L746 HydrophobicContact CD2-CD2 3.95Å; L743-L746 WeakPolarHBondContact O-CB 3.36Å; L743-L746 PolarHBondContact O-N 3.06Å; L746-M749 HydrophobicContact CD1-CE 3.85Å; L746-M749 WeakPolarHBondContact O-CB 3.3Å; L746-M749 PolarHBondContact O-N 2.84Å; L746-A750 PolarHBondContact O-N 3.04Å; L746-F792 HydrophobicContact CD2-CD1 4.31Å; L746-F792 HydrophobicContact CD2-CE1 3.75Å; L746-F792 HydrophobicContact CG-CD1 4.43Å; L746-F792 HydrophobicContact CG-CE1 3.98Å
747	F	91.3	Very high	90.4	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-60.5	-48.1	172.7	167.8	-98.8	0	0	0	112.1	L743 T744 S745 M749 A750 Y751 P778 M781 L785 F789 F792	L743-F747 PolarHBondContact O-N 3.29Å; T744-F747 PolarHBondContact O-N 3.3Å; S745-F747 VanDerWaalsContact C-N 3.35Å; F747-M749 PolarHBondContact O-N 3.3Å; F747-A750 WeakPolarHBondContact O-CB 3.17Å; F747-A750 PolarHBondContact O-N 3.27Å; F747-A750 VanDerWaalsContact O-N 3.11Å; F747-Y751 HydrophobicContact CZ-CD2 4.1Å; F747-Y751 PolarHBondContact O-N 2.81Å; F747-P778 HydrophobicContact CD1-CB 3.52Å; F747-P778 HydrophobicContact CD1-CG 3.61Å; F747-P778 HydrophobicContact CD2-CB 4.47Å; F747-P778 HydrophobicContact CE1-CB 3.51Å; F747-P778 HydrophobicContact CE1-CG 3.83Å; F747-P778 HydrophobicContact CE2-CB 4.45Å; F747-P778 HydrophobicContact CG-CB 4.03Å; F747-P778 HydrophobicContact CG-CG 4.39Å; F747-P778 HydrophobicContact CZ-CB 4Å; F747-M781 HydrophobicContact CE1-CB 3.96Å; F747-M781 HydrophobicContact CE1-SD 4.26Å; F747-M781 HydrophobicContact CZ-CB 3.63Å; F747-L785 HydrophobicContact CE2-CD1 4.23Å; F747-F789 HydrophobicContact CD2-CB 3.62Å; F747-F789 HydrophobicContact CD2-CD1 4.17Å; F747-F789 AromaticContact CD2-CG 3.96Å; F747-F789 HydrophobicContact CD2-CG 3.96Å; F747-F789 HydrophobicContact CE2-CB 3.5Å; F747-F789 HydrophobicContact CE2-CD2 4.38Å; F747-F789 AromaticContact CE2-CG 3.98Å; F747-F789 HydrophobicContact CE2-CG 3.98Å; F747-F792 HydrophobicContact CB-CB 4.01Å; F747-F792 HydrophobicContact CB-CD1 4.28Å; F747-F792 HydrophobicContact CB-CG 4.42Å
748	Y	91.9	Very high	90.3	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.008	7%	0.074	C	C	.	.	H	α-helix	trans	-65.1	-26.9	178.1	-65	-50.9	0	0	0	112.3	Y726 T744 S745 E752 L758 W760 K773 P778 M781	Y726-Y748 VanDerWaalsContact O-CD2 3.24Å; Y726-Y748 WeakPolarHBondContact O-CD2 3.21Å; T744-Y748 HydrophobicContact CG2-CD2 4.25Å; T744-Y748 HydrophobicContact CG2-CE2 3.63Å; T744-Y748 WeakPolarHBondContact O-CD2 3.44Å; T744-Y748 PolarHBondContact O-N 3.24Å; S745-Y748 PolarHBondContact O-N 2.93Å; Y748-E752 PolarHBondContact O-N 2.77Å; Y748-E752 VanDerWaalsContact O-N 3.08Å; Y748-L758 HydrophobicContact CD1-CD2 3.88Å; Y748-L758 HydrophobicContact CG-CD2 4.32Å; Y748-W760 AromaticContact CD1-CH2 3.91Å; Y748-W760 HydrophobicContact CD1-CH2 3.91Å; Y748-W760 AromaticContact CD1-CZ2 3.63Å; Y748-W760 HydrophobicContact CD1-CZ2 3.63Å; Y748-W760 AromaticContact CE1-CH2 3.51Å; Y748-W760 HydrophobicContact CE1-CH2 3.51Å; Y748-W760 AromaticContact CE1-CZ2 3.58Å; Y748-W760 HydrophobicContact CE1-CZ2 3.58Å; Y748-W760 HydrophobicContact CG-CZ2 4.22Å; Y748-K773 HydrophobicContact CE2-CD 4.23Å; Y748-P778 HydrophobicContact CE1-CG 4.27Å; Y748-M781 HydrophobicContact CD1-CE 4.49Å; Y748-M781 HydrophobicContact CD1-SD 4.44Å; Y748-M781 HydrophobicContact CE1-SD 4Å
749	M	92.1	Very high	90.3	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-66.2	-51.5	167.5	176.4	160.3	104.6	0	0	111.4	L636 I657 C660 P679 F682 S745 L746 F747 Y751 E752 L753	L636-M749 HydrophobicContact CD1-CE 4.07Å; I657-M749 HydrophobicContact CD1-CE 3.81Å; I657-M749 HydrophobicContact CD1-CG 4.17Å; C660-M749 HydrophobicContact CB-CE 4.01Å; C660-M749 WeakPolarHBondContact SG-CE 3.12Å; P679-M749 HydrophobicContact CB-SD 4.18Å; P679-M749 HydrophobicContact CG-CG 3.83Å; P679-M749 HydrophobicContact CG-SD 3.67Å; F682-M749 HydrophobicContact CD2-CE 3.87Å; F682-M749 HydrophobicContact CD2-SD 4.13Å; F682-M749 HydrophobicContact CE2-CE 3.98Å; F682-M749 HydrophobicContact CE2-SD 4.35Å; S745-M749 PolarHBondContact O-N 3.5Å; L746-M749 HydrophobicContact CD1-CE 3.85Å; L746-M749 WeakPolarHBondContact O-CB 3.3Å; L746-M749 PolarHBondContact O-N 2.84Å; F747-M749 PolarHBondContact O-N 3.3Å; M749-Y751 VanDerWaalsContact C-N 3.31Å; M749-Y751 PolarHBondContact O-N 2.94Å; M749-E752 PolarHBondContact O-N 2.81Å; M749-L753 HydrophobicContact CG-CD1 4.2Å; M749-L753 WeakPolarHBondContact O-CG 3.15Å; M749-L753 PolarHBondContact O-N 2.75Å
750	A	90.2	Very high	90.4	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-54.6	-45.2	176.8	0	0	0	0	0	112.3	I657 L746 F747 L753 L754 F789	I657-A750 HydrophobicContact CD1-CB 3.75Å; I657-A750 HydrophobicContact CG1-CB 3.78Å; L746-A750 PolarHBondContact O-N 3.04Å; F747-A750 WeakPolarHBondContact O-CB 3.17Å; F747-A750 PolarHBondContact O-N 3.27Å; F747-A750 VanDerWaalsContact O-N 3.11Å; A750-L753 PolarHBondContact O-N 3.1Å; A750-L754 WeakPolarHBondContact O-CG 3.39Å; A750-L754 PolarHBondContact O-N 2.84Å; A750-F789 HydrophobicContact CB-CD1 4.5Å; A750-F789 HydrophobicContact CB-CE1 3.77Å; A750-F789 HydrophobicContact CB-CE2 4.37Å; A750-F789 HydrophobicContact CB-CZ 3.7Å
751	Y	90.4	Very high	90.2	Very high	20 Å²	20	16.7 Å²	16.7	8%	0.078	9%	0.093	C	C	.	.	H	α-helix	trans	-62.3	-41.8	175.2	-170.1	-74.4	0	0	0	112.3	F747 M749 L753 L754 A755 Q757 L758 M781 V784 L785	F747-Y751 HydrophobicContact CZ-CD2 4.1Å; F747-Y751 PolarHBondContact O-N 2.81Å; M749-Y751 VanDerWaalsContact C-N 3.31Å; M749-Y751 PolarHBondContact O-N 2.94Å; Y751-L753 VanDerWaalsContact C-N 3.29Å; Y751-L753 PolarHBondContact O-N 3.05Å; Y751-L754 PolarHBondContact O-N 2.9Å; Y751-A755 HydrophobicContact CD1-CB 3.89Å; Y751-A755 HydrophobicContact CE1-CB 3.48Å; Y751-A755 VanDerWaalsContact CE1-CB 3.48Å; Y751-A755 WeakPolarHBondContact O-CB 3.24Å; Y751-A755 PolarHBondContact O-N 3.44Å; Y751-Q757 WeakPolarHBondContact CE1-O 3.37Å; Y751-L758 HydrophobicContact CD1-CD2 3.73Å; Y751-L758 HydrophobicContact CD1-CG 4.41Å; Y751-L758 HydrophobicContact CG-CD2 4.19Å; Y751-M781 HydrophobicContact CD1-CE 3.68Å; Y751-M781 HydrophobicContact CD2-CB 3.91Å; Y751-M781 HydrophobicContact CD2-CE 3.52Å; Y751-M781 HydrophobicContact CE1-CE 3.72Å; Y751-M781 HydrophobicContact CE2-CB 3.8Å; Y751-M781 HydrophobicContact CE2-CE 3.56Å; Y751-M781 HydrophobicContact CE2-CG 4.35Å; Y751-M781 WeakPolarHBondContact CE2-O 3.11Å; Y751-M781 HydrophobicContact CG-CE 3.61Å; Y751-V784 HydrophobicContact CE2-CB 4.38Å; Y751-L785 HydrophobicContact CD2-CD1 3.58Å; Y751-L785 HydrophobicContact CD2-CD2 3.82Å; Y751-L785 HydrophobicContact CD2-CG 3.78Å; Y751-L785 HydrophobicContact CE2-CD1 4.4Å; Y751-L785 HydrophobicContact CE2-CD2 3.99Å; Y751-L785 HydrophobicContact CE2-CG 4.11Å; Y751-L785 HydrophobicContact CG-CD1 4.17Å; Y751-L785 HydrophobicContact CG-CD2 4.37Å
752	E	89.8	Confident	89.9	Confident	18 Å²	18	24.9 Å²	24.9	8%	0.084	12%	0.124	C	C	.	.	H	α-helix	trans	-66.6	-30.3	177.1	-163.9	165.9	-138.1	0	0	112.5	R725 Y726 Y748 M749 G756 L758 K761	R725-E752 IonicContact CZ-OE1 2.72Å; R725-E752 IonicContact NE-OE1 3.41Å; R725-E752 IonicContact NH1-OE1 3.59Å; R725-E752 PolarHBondContact NH1-OE1 3.19Å; R725-E752 VanDerWaalsContact NH1-OE1 3.15Å; R725-E752 IonicContact NH1-OE2 3.62Å; R725-E752 PolarHBondContact NH1-OE2 2.93Å; Y726-E752 VanDerWaalsContact CE1-OE2 3.29Å; Y726-E752 WeakPolarHBondContact CE1-OE2 3.36Å; Y726-E752 VanDerWaalsContact CZ-OE2 3.29Å; Y726-E752 PolarHBondContact OH-OE2 3.09Å; Y748-E752 PolarHBondContact O-N 2.77Å; Y748-E752 VanDerWaalsContact O-N 3.08Å; M749-E752 PolarHBondContact O-N 2.81Å; E752-G756 CarbonylContact O-C 3.6Å; E752-G756 VanDerWaalsContact O-C 3.31Å; E752-G756 WeakPolarHBondContact O-CA 3.39Å; E752-G756 PolarHBondContact O-N 2.9Å; E752-L758 HydrophobicContact CB-CD1 4.25Å; E752-L758 HydrophobicContact CB-CG 4.07Å; E752-K761 WeakPolarHBondContact OE1-CD 3.42Å; E752-K761 WeakPolarHBondContact OE1-CE 3.43Å; E752-K761 IonicContact OE1-NZ 2.85Å
753	L	89.1	Confident	89.6	Confident	6 Å²	6	30.4 Å²	30.4	3%	0.031	15%	0.148	C	C	.	.	H	α-helix	trans	-74.2	-38.4	176.1	-62.4	174.6	0	0	0	112.7	V640 A647 L648 V653 I656 I657 M749 A750 Y751	V640-L753 HydrophobicContact CB-CD2 4.49Å; V640-L753 HydrophobicContact CG1-CD2 4.3Å; V640-L753 HydrophobicContact CG2-CD2 3.41Å; V640-L753 VanDerWaalsContact CG2-CD2 3.41Å; A647-L753 WeakPolarHBondContact CA-O 3.46Å; L648-L753 HydrophobicContact CD1-CB 4.47Å; L648-L753 HydrophobicContact CD1-CD2 4.05Å; L648-L753 PolarHBondContact N-O 2.99Å; V653-L753 HydrophobicContact CB-CB 4.44Å; V653-L753 HydrophobicContact CG1-CB 3.83Å; V653-L753 HydrophobicContact CG1-CD1 3.97Å; V653-L753 HydrophobicContact CG2-CB 3.68Å; I656-L753 HydrophobicContact CG2-CD1 4.02Å; I657-L753 HydrophobicContact CD1-CD1 4.26Å; M749-L753 HydrophobicContact CG-CD1 4.2Å; M749-L753 WeakPolarHBondContact O-CG 3.15Å; M749-L753 PolarHBondContact O-N 2.75Å; A750-L753 PolarHBondContact O-N 3.1Å; Y751-L753 VanDerWaalsContact C-N 3.29Å; Y751-L753 PolarHBondContact O-N 3.05Å
754	L	87.7	Confident	89.2	Confident	26 Å²	26	35.7 Å²	35.7	14%	0.136	19%	0.186	C	C	.	.	H	α-helix	trans	-84	-46.5	-178.1	-71.3	160.8	0	0	0	113.4	A647 K650 V653 A750 Y751 L785 I787 F789	A647-L754 WeakPolarHBondContact CB-O 3.29Å; K650-L754 HydrophobicContact CB-CD2 4.34Å; V653-L754 HydrophobicContact CB-CD2 3.85Å; V653-L754 HydrophobicContact CB-CG 3.97Å; V653-L754 HydrophobicContact CG1-CD1 4.14Å; V653-L754 HydrophobicContact CG1-CD2 4.34Å; V653-L754 HydrophobicContact CG1-CG 3.9Å; V653-L754 HydrophobicContact CG2-CD2 3.76Å; V653-L754 HydrophobicContact CG2-CG 3.91Å; A750-L754 WeakPolarHBondContact O-CG 3.39Å; A750-L754 PolarHBondContact O-N 2.84Å; Y751-L754 PolarHBondContact O-N 2.9Å; L754-L785 HydrophobicContact CB-CD2 3.76Å; L754-L785 HydrophobicContact CD1-CB 4.43Å; L754-L785 HydrophobicContact CD1-CD1 3.99Å; L754-L785 HydrophobicContact CD1-CD2 4.3Å; L754-L785 HydrophobicContact CD1-CG 4.49Å; L754-I787 HydrophobicContact CD1-CD1 3.91Å; L754-F789 HydrophobicContact CD1-CE2 3.53Å; L754-F789 HydrophobicContact CD1-CZ 4.01Å
755	A	86.1	Confident	89	Confident	40 Å²	40	38.5 Å²	38.5	33%	0.331	20%	0.2	S	C	.	.	S	Bend	trans	-87.8	-7.4	178.4	0	0	0	0	0	112.8	Y751 Q757 L785	Y751-A755 HydrophobicContact CD1-CB 3.89Å; Y751-A755 HydrophobicContact CE1-CB 3.48Å; Y751-A755 VanDerWaalsContact CE1-CB 3.48Å; Y751-A755 WeakPolarHBondContact O-CB 3.24Å; Y751-A755 PolarHBondContact O-N 3.44Å; A755-Q757 PolarHBondContact O-N 2.89Å; A755-L785 HydrophobicContact CB-CD2 4.36Å
756	G	85.1	Confident	88.8	Confident	7 Å²	7	39.9 Å²	39.9	7%	0.072	21%	0.21	C	C	.	.	S	Bend	trans	71.6	-12.3	-178	0	0	0	0	0	116.2	K646 E752 K761	K646-G756 WeakPolarHBondContact O-CA 3.27Å; E752-G756 CarbonylContact O-C 3.6Å; E752-G756 VanDerWaalsContact O-C 3.31Å; E752-G756 WeakPolarHBondContact O-CA 3.39Å; E752-G756 PolarHBondContact O-N 2.9Å; G756-K761 PolarHBondContact O-NZ 2.81Å
757	Q	87	Confident	88.7	Confident	94 Å²	94	44.7 Å²	44.7	44%	0.439	24%	0.235	S	C	.	.	S	Bend	trans	-158.2	135.4	172.5	54.9	-176.8	14.7	0	0	112	Y751 A755 K761 Y762	Y751-Q757 WeakPolarHBondContact CE1-O 3.37Å; A755-Q757 PolarHBondContact O-N 2.89Å; Q757-K761 HydrophobicContact CB-CB 4.21Å; Q757-K761 HydrophobicContact CB-CD 3.3Å; Q757-K761 HydrophobicContact CB-CG 4.4Å; Q757-Y762 PolarHBondContact OE1-OH 2.8Å; Q757-Y762 VanDerWaalsContact OE1-OH 3.1Å
758	L	90.3	Very high	88.6	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.005	25%	0.253	C	S	.	.			trans	-66.3	146.9	162.2	-72.6	159.3	0	0	0	109.8	R725 Y726 Y748 Y751 E752 W760 K761 M781	R725-L758 HydrophobicContact CG-CD1 3.59Å; Y726-L758 HydrophobicContact CD1-CD1 4.04Å; Y726-L758 HydrophobicContact CE1-CD1 3.99Å; Y748-L758 HydrophobicContact CD1-CD2 3.88Å; Y748-L758 HydrophobicContact CG-CD2 4.32Å; Y751-L758 HydrophobicContact CD1-CD2 3.73Å; Y751-L758 HydrophobicContact CD1-CG 4.41Å; Y751-L758 HydrophobicContact CG-CD2 4.19Å; E752-L758 HydrophobicContact CB-CD1 4.25Å; E752-L758 HydrophobicContact CB-CG 4.07Å; L758-W760 HydrophobicContact CB-CD2 4.41Å; L758-W760 HydrophobicContact CB-CZ2 4.43Å; L758-W760 HydrophobicContact CD2-CH2 4.32Å; L758-W760 HydrophobicContact CD2-CZ2 3.81Å; L758-W760 HydrophobicContact CG-CZ2 4.49Å; L758-W760 PolarHBondContact O-N 3.21Å; L758-K761 VanDerWaalsContact O-CB 3.26Å; L758-K761 WeakPolarHBondContact O-CB 2.92Å; L758-K761 PolarHBondContact O-N 3.24Å; L758-M781 HydrophobicContact CD2-CE 3.88Å
759	P	90.5	Very high	88.7	Confident	49 Å²	49	47.6 Å²	47.6	32%	0.318	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-25.8	-179.6	-26.8	34.8	0	0	0	114.1	M772 M781	P759-M772 HydrophobicContact CB-CE 3.99Å; P759-M772 WeakPolarHBondContact O-CE 3.46Å; P759-M781 HydrophobicContact CG-CE 4.19Å
760	W	93.1	Very high	88.7	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.008	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	15.5	178.9	53.6	83.2	0	0	0	114.8	R725 Y748 L758 Y762 K763 I769 M772 K773 M781	R725-W760 PolarHBondContact O-NE1 3.38Å; Y748-W760 AromaticContact CD1-CH2 3.91Å; Y748-W760 HydrophobicContact CD1-CH2 3.91Å; Y748-W760 AromaticContact CD1-CZ2 3.63Å; Y748-W760 HydrophobicContact CD1-CZ2 3.63Å; Y748-W760 AromaticContact CE1-CH2 3.51Å; Y748-W760 HydrophobicContact CE1-CH2 3.51Å; Y748-W760 AromaticContact CE1-CZ2 3.58Å; Y748-W760 HydrophobicContact CE1-CZ2 3.58Å; Y748-W760 HydrophobicContact CG-CZ2 4.22Å; L758-W760 HydrophobicContact CB-CD2 4.41Å; L758-W760 HydrophobicContact CB-CZ2 4.43Å; L758-W760 HydrophobicContact CD2-CH2 4.32Å; L758-W760 HydrophobicContact CD2-CZ2 3.81Å; L758-W760 HydrophobicContact CG-CZ2 4.49Å; L758-W760 PolarHBondContact O-N 3.21Å; W760-Y762 PolarHBondContact O-N 2.85Å; W760-K763 HydrophobicContact CB-CB 4.29Å; W760-K763 HydrophobicContact CB-CG 4.11Å; W760-K763 PolarHBondContact O-N 2.69Å; W760-I769 HydrophobicContact CB-CG1 4.12Å; W760-I769 HydrophobicContact CD2-CG2 4.44Å; W760-I769 HydrophobicContact CG-CG1 4.4Å; W760-I769 HydrophobicContact CG-CG2 4Å; W760-M772 HydrophobicContact CB-CE 4.03Å; W760-M772 HydrophobicContact CB-SD 3.92Å; W760-M772 HydrophobicContact CE3-CB 3.88Å; W760-M772 HydrophobicContact CE3-CE 4.49Å; W760-K773 HydrophobicContact CD2-CG 4.37Å; W760-K773 VanDerWaalsContact CE2-CE 3.43Å; W760-K773 HydrophobicContact CE3-CG 4.31Å; W760-K773 HydrophobicContact CH2-CG 3.52Å; W760-K773 HydrophobicContact CZ2-CD 4.11Å; W760-K773 HydrophobicContact CZ2-CG 3.59Å; W760-K773 HydrophobicContact CZ3-CG 3.9Å; W760-M781 HydrophobicContact CH2-CE 3.89Å; W760-M781 HydrophobicContact CH2-SD 3.61Å; W760-M781 HydrophobicContact CZ3-CE 4.29Å; W760-M781 HydrophobicContact CZ3-SD 4.02Å
761	K	85.7	Confident	88.9	Confident	53 Å²	53	52.8 Å²	52.8	23%	0.23	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49	-33.1	-175.9	-177.8	170.1	-171.3	173.2	0	115.2	R725 E752 G756 Q757 L758	R725-K761 PolarHBondContact NH2-O 3.11Å; E752-K761 WeakPolarHBondContact OE1-CD 3.42Å; E752-K761 WeakPolarHBondContact OE1-CE 3.43Å; E752-K761 IonicContact OE1-NZ 2.85Å; G756-K761 PolarHBondContact O-NZ 2.81Å; Q757-K761 HydrophobicContact CB-CB 4.21Å; Q757-K761 HydrophobicContact CB-CD 3.3Å; Q757-K761 HydrophobicContact CB-CG 4.4Å; L758-K761 VanDerWaalsContact O-CB 3.26Å; L758-K761 WeakPolarHBondContact O-CB 2.92Å; L758-K761 PolarHBondContact O-N 3.24Å
762	Y	85.8	Confident	89	Confident	177 Å²	177	53.8 Å²	53.8	69%	0.694	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	12	-178.8	-46.4	-73.4	0	0	0	114	Q757 W760	Q757-Y762 PolarHBondContact OE1-OH 2.8Å; Q757-Y762 VanDerWaalsContact OE1-OH 3.1Å; W760-Y762 PolarHBondContact O-N 2.85Å
763	K	87.4	Confident	89.1	Confident	116 Å²	116	53 Å²	53	50%	0.504	28%	0.282	S	S	.	.			trans	-93.5	147.8	169.8	-56.4	-59.3	-174.2	179.5	0	109.4	W760 V768 I769 M772	W760-K763 HydrophobicContact CB-CB 4.29Å; W760-K763 HydrophobicContact CB-CG 4.11Å; W760-K763 PolarHBondContact O-N 2.69Å; K763-V768 HydrophobicContact CD-CG1 4.18Å; K763-V768 HydrophobicContact CG-CG1 4.23Å; K763-I769 HydrophobicContact CB-CD1 4.09Å; K763-I769 HydrophobicContact CB-CG1 3.74Å; K763-M772 HydrophobicContact CG-SD 4.1Å
764	S	82.4	Confident	89.2	Confident	113 Å²	113	57.5 Å²	57.5	79%	0.79	31%	0.306	S	S	*	.			trans	-116.3	-28.7	174.8	49.5	0	0	0	0	112.9	S766	S764-S766 PolarHBondContact O-N 3.36Å
765	D	88.1	Confident	89.3	Confident	77 Å²	77	64.1 Å²	64.1	41%	0.412	33%	0.334	S	S	.	.			trans	-68.8	123.2	-178.9	-177.4	-65.7	0	0	0	111.8	N767 V768 I769	D765-N767 VanDerWaalsContact C-N 3.33Å; D765-N767 PolarHBondContact O-N 3.08Å; D765-N767 WeakPolarHBondContact OD1-CA 3.44Å; D765-N767 WeakPolarHBondContact OD1-CB 3.32Å; D765-N767 PolarHBondContact OD1-N 3.25Å; D765-V768 HydrophobicContact CB-CB 4.01Å; D765-V768 HydrophobicContact CB-CG2 3.86Å; D765-V768 PolarHBondContact O-N 2.73Å; D765-V768 PolarHBondContact OD1-N 2.8Å; D765-I769 WeakPolarHBondContact O-CB 3.42Å; D765-I769 WeakPolarHBondContact O-CD1 3.37Å; D765-I769 WeakPolarHBondContact O-CG1 3.48Å; D765-I769 PolarHBondContact O-N 2.94Å
766	S	88.3	Confident	89.3	Confident	37 Å²	37	65.4 Å²	65.4	26%	0.259	33%	0.333	S	S	.	.	H	α-helix	trans	-63.1	-35.7	-177.2	-172.1	0	0	0	0	113.1	H732 S764 L770	H732-S766 PolarHBondContact CE1-O 2.87Å; H732-S766 PolarHBondContact ND1-O 1.91Å; H732-S766 VanDerWaalsContact ND1-O 3.09Å; H732-S766 PolarHBondContact ND1-OG 3.44Å; S764-S766 PolarHBondContact O-N 3.36Å; S766-L770 VanDerWaalsContact O-CB 3.3Å; S766-L770 WeakPolarHBondContact O-CB 3.29Å; S766-L770 PolarHBondContact O-N 3.44Å
767	N	89.9	Confident	89.3	Confident	101 Å²	101	67.4 Å²	67.4	54%	0.54	35%	0.345	S	S	.	.	H	α-helix	trans	-77.8	-36.9	-178.3	-60.9	-38	0	0	0	111.2	D765 N771	D765-N767 VanDerWaalsContact C-N 3.33Å; D765-N767 PolarHBondContact O-N 3.08Å; D765-N767 WeakPolarHBondContact OD1-CA 3.44Å; D765-N767 WeakPolarHBondContact OD1-CB 3.32Å; D765-N767 PolarHBondContact OD1-N 3.25Å; N767-N771 WeakPolarHBondContact O-CB 3.36Å; N767-N771 PolarHBondContact O-N 3.21Å; N767-N771 PolarHBondContact O-ND2 3.43Å
768	V	91	Very high	89.2	Confident	60 Å²	60	63.5 Å²	63.5	36%	0.364	33%	0.327	S	S	.	.	H	α-helix	trans	-62.8	-44.8	170.8	175.1	0	0	0	0	110.1	K763 D765 N771 M772	K763-V768 HydrophobicContact CD-CG1 4.18Å; K763-V768 HydrophobicContact CG-CG1 4.23Å; D765-V768 HydrophobicContact CB-CB 4.01Å; D765-V768 HydrophobicContact CB-CG2 3.86Å; D765-V768 PolarHBondContact O-N 2.73Å; D765-V768 PolarHBondContact OD1-N 2.8Å; V768-N771 PolarHBondContact O-N 2.89Å; V768-M772 HydrophobicContact CG1-SD 4.23Å; V768-M772 WeakPolarHBondContact O-CG 3.38Å; V768-M772 PolarHBondContact O-N 3.43Å
769	I	92.6	Very high	88.7	Confident	2 Å²	2	65.6 Å²	65.6	1%	0.01	35%	0.345	C	S	.	.	H	α-helix	trans	-65.6	-43.1	178.3	-66.5	164	0	0	0	111.1	V724 W760 K763 D765 M772 K773	V724-I769 HydrophobicContact CB-CD1 4.42Å; V724-I769 HydrophobicContact CG1-CD1 3.57Å; W760-I769 HydrophobicContact CB-CG1 4.12Å; W760-I769 HydrophobicContact CD2-CG2 4.44Å; W760-I769 HydrophobicContact CG-CG1 4.4Å; W760-I769 HydrophobicContact CG-CG2 4Å; K763-I769 HydrophobicContact CB-CD1 4.09Å; K763-I769 HydrophobicContact CB-CG1 3.74Å; D765-I769 WeakPolarHBondContact O-CB 3.42Å; D765-I769 WeakPolarHBondContact O-CD1 3.37Å; D765-I769 WeakPolarHBondContact O-CG1 3.48Å; D765-I769 PolarHBondContact O-N 2.94Å; I769-M772 PolarHBondContact O-N 3.4Å; I769-K773 HydrophobicContact CG2-CD 3.97Å; I769-K773 VanDerWaalsContact CG2-CE 3.49Å; I769-K773 HydrophobicContact CG2-CG 4.47Å; I769-K773 WeakPolarHBondContact O-CG 3.39Å; I769-K773 PolarHBondContact O-N 3.13Å
770	L	93.4	Very high	88.3	Confident	17 Å²	17	67.4 Å²	67.4	9%	0.089	35%	0.351	C	S	.	.	H	α-helix	trans	-56.5	-49.8	172.5	172.6	59.4	0	0	0	111.4	T729 H732 L733 S766 M772 K773 L774	T729-L770 HydrophobicContact CG2-CD1 4.09Å; H732-L770 HydrophobicContact CB-CB 4Å; H732-L770 HydrophobicContact CB-CD1 3.9Å; H732-L770 HydrophobicContact CB-CD2 4.16Å; H732-L770 HydrophobicContact CB-CG 4.23Å; L733-L770 HydrophobicContact CD2-CD2 3.86Å; L733-L770 HydrophobicContact CG-CD1 4.36Å; L733-L770 HydrophobicContact CG-CD2 4.28Å; S766-L770 VanDerWaalsContact O-CB 3.3Å; S766-L770 WeakPolarHBondContact O-CB 3.29Å; S766-L770 PolarHBondContact O-N 3.44Å; L770-M772 PolarHBondContact O-N 3.42Å; L770-K773 PolarHBondContact O-N 3.22Å; L770-K773 VanDerWaalsContact O-N 3.17Å; L770-L774 HydrophobicContact CD1-CD1 3.81Å; L770-L774 HydrophobicContact CD1-CD2 4.44Å; L770-L774 HydrophobicContact CD1-CG 3.89Å; L770-L774 HydrophobicContact CG-CD1 3.93Å; L770-L774 HydrophobicContact CG-CG 4.42Å; L770-L774 WeakPolarHBondContact O-CG 3.42Å; L770-L774 PolarHBondContact O-N 3Å
771	N	92.7	Very high	87.9	Confident	92 Å²	92	67.5 Å²	67.5	49%	0.492	35%	0.352	S	S	.	.	H	α-helix	trans	-62.5	-29.9	178.2	-80.4	-57	0	0	0	113.1	N767 V768 K775	N767-N771 WeakPolarHBondContact O-CB 3.36Å; N767-N771 PolarHBondContact O-N 3.21Å; N767-N771 PolarHBondContact O-ND2 3.43Å; V768-N771 PolarHBondContact O-N 2.89Å; N771-K775 VanDerWaalsContact O-CG 3.31Å; N771-K775 WeakPolarHBondContact O-CG 3.18Å; N771-K775 PolarHBondContact O-N 2.87Å
772	M	93.5	Very high	87.5	Confident	41 Å²	41	65.1 Å²	65.1	20%	0.202	34%	0.342	C	S	.	.	H	α-helix	trans	-73.9	-43	172.7	-69.1	178.8	71.1	0	0	111.8	P759 W760 K763 V768 I769 L770 L774 K775 Q776	P759-M772 HydrophobicContact CB-CE 3.99Å; P759-M772 WeakPolarHBondContact O-CE 3.46Å; W760-M772 HydrophobicContact CB-CE 4.03Å; W760-M772 HydrophobicContact CB-SD 3.92Å; W760-M772 HydrophobicContact CE3-CB 3.88Å; W760-M772 HydrophobicContact CE3-CE 4.49Å; K763-M772 HydrophobicContact CG-SD 4.1Å; V768-M772 HydrophobicContact CG1-SD 4.23Å; V768-M772 WeakPolarHBondContact O-CG 3.38Å; V768-M772 PolarHBondContact O-N 3.43Å; I769-M772 PolarHBondContact O-N 3.4Å; L770-M772 PolarHBondContact O-N 3.42Å; M772-L774 VanDerWaalsContact C-N 3.34Å; M772-L774 PolarHBondContact O-N 3.27Å; M772-K775 PolarHBondContact O-N 3.4Å; M772-Q776 PolarHBondContact O-N 2.89Å
773	K	92.3	Very high	86.9	Confident	1 Å²	1	63 Å²	63	0%	0.004	34%	0.338	C	S	.	.	H	α-helix	trans	-65	-32.9	175.8	-72.7	172	-179.8	172.6	0	113.4	V724 R725 A727 T729 H732 Y748 W760 I769 L770 Q776 P777	V724-K773 PolarHBondContact O-NZ 3.15Å; R725-K773 WeakPolarHBondContact O-CE 3.36Å; R725-K773 PolarHBondContact O-NZ 3.36Å; R725-K773 VanDerWaalsContact O-NZ 3.07Å; A727-K773 PolarHBondContact O-NZ 2.82Å; T729-K773 HydrophobicContact CG2-CB 3.9Å; H732-K773 PolarHBondContact NE2-NZ 3.01Å; Y748-K773 HydrophobicContact CE2-CD 4.23Å; W760-K773 HydrophobicContact CD2-CG 4.37Å; W760-K773 VanDerWaalsContact CE2-CE 3.43Å; W760-K773 HydrophobicContact CE3-CG 4.31Å; W760-K773 HydrophobicContact CH2-CG 3.52Å; W760-K773 HydrophobicContact CZ2-CD 4.11Å; W760-K773 HydrophobicContact CZ2-CG 3.59Å; W760-K773 HydrophobicContact CZ3-CG 3.9Å; I769-K773 HydrophobicContact CG2-CD 3.97Å; I769-K773 VanDerWaalsContact CG2-CE 3.49Å; I769-K773 HydrophobicContact CG2-CG 4.47Å; I769-K773 WeakPolarHBondContact O-CG 3.39Å; I769-K773 PolarHBondContact O-N 3.13Å; L770-K773 PolarHBondContact O-N 3.22Å; L770-K773 VanDerWaalsContact O-N 3.17Å; K773-Q776 CarbonylContact O-C 3.6Å; K773-P777 WeakPolarHBondContact O-CA 3.38Å
774	L	90.3	Very high	85.8	Confident	102 Å²	102	62.2 Å²	62.2	53%	0.534	34%	0.343	S	S	.	.	H	α-helix	trans	-72.2	-29.8	173.9	-70.3	172.3	0	0	0	112.7	T729 L770 M772	T729-L774 HydrophobicContact CG2-CD2 4.13Å; T729-L774 HydrophobicContact CG2-CG 4.5Å; L770-L774 HydrophobicContact CD1-CD1 3.81Å; L770-L774 HydrophobicContact CD1-CD2 4.44Å; L770-L774 HydrophobicContact CD1-CG 3.89Å; L770-L774 HydrophobicContact CG-CD1 3.93Å; L770-L774 HydrophobicContact CG-CG 4.42Å; L770-L774 WeakPolarHBondContact O-CG 3.42Å; L770-L774 PolarHBondContact O-N 3Å; M772-L774 VanDerWaalsContact C-N 3.34Å; M772-L774 PolarHBondContact O-N 3.27Å
775	K	90.5	Very high	84.9	Confident	164 Å²	164	57.6 Å²	57.6	71%	0.713	31%	0.31	S	S	*	.	H	α-helix	trans	-83.9	-23.8	175.2	-72.3	178.6	179.3	-171.6	0	113.5	N771 M772	N771-K775 VanDerWaalsContact O-CG 3.31Å; N771-K775 WeakPolarHBondContact O-CG 3.18Å; N771-K775 PolarHBondContact O-N 2.87Å; M772-K775 PolarHBondContact O-N 3.4Å
776	Q	86.5	Confident	83.8	Confident	68 Å²	68	60.2 Å²	60.2	32%	0.318	32%	0.324	S	S	.	.	S	Bend	trans	-131.2	73.1	177.4	-74.1	167.9	76.1	0	0	108.6	M772 K773 M781	M772-Q776 PolarHBondContact O-N 2.89Å; K773-Q776 CarbonylContact O-C 3.6Å; Q776-M781 HydrophobicContact CB-CG 3.91Å; Q776-M781 HydrophobicContact CB-SD 4.12Å
777	P	84.8	Confident	82.6	Confident	48 Å²	48	59 Å²	59	31%	0.312	31%	0.314	S	S	.	.			trans	-65.5	159.1	171	29.3	-35.6	0	0	0	110.1	K773 A779 I780 M781	K773-P777 WeakPolarHBondContact O-CA 3.38Å; P777-A779 PolarHBondContact O-N 3.38Å; P777-I780 HydrophobicContact CG-CD1 4.2Å; P777-I780 HydrophobicContact CG-CG1 4.13Å; P777-I780 PolarHBondContact O-N 3.29Å; P777-M781 PolarHBondContact O-N 3.42Å; P777-M781 VanDerWaalsContact O-N 3.1Å
778	P	84.2	Confident	81.6	Confident	12 Å²	12	58.3 Å²	58.3	8%	0.078	31%	0.31	C	S	.	.	H	α-helix	trans	-50.2	-34.2	178.8	-32.5	38.3	0	0	0	114.9	F747 Y748 I780 M781 A782 A793	F747-P778 HydrophobicContact CD1-CB 3.52Å; F747-P778 HydrophobicContact CD1-CG 3.61Å; F747-P778 HydrophobicContact CD2-CB 4.47Å; F747-P778 HydrophobicContact CE1-CB 3.51Å; F747-P778 HydrophobicContact CE1-CG 3.83Å; F747-P778 HydrophobicContact CE2-CB 4.45Å; F747-P778 HydrophobicContact CG-CB 4.03Å; F747-P778 HydrophobicContact CG-CG 4.39Å; F747-P778 HydrophobicContact CZ-CB 4Å; Y748-P778 HydrophobicContact CE1-CG 4.27Å; P778-I780 VanDerWaalsContact C-N 3.28Å; P778-I780 PolarHBondContact O-N 3.18Å; P778-M781 PolarHBondContact O-N 3.48Å; P778-A782 WeakPolarHBondContact O-CB 3.05Å; P778-A782 PolarHBondContact O-N 3.46Å; P778-A793 HydrophobicContact CB-CB 3.46Å; P778-A793 VanDerWaalsContact CB-CB 3.46Å; P778-A793 HydrophobicContact CG-CB 3.64Å
779	A	79.4	Confident	80.4	Confident	45 Å²	45	55.5 Å²	55.5	37%	0.372	29%	0.293	S	S	.	.	H	α-helix	trans	-59.6	-32.5	177.3	0	0	0	0	0	114.2	P777 K790	P777-A779 PolarHBondContact O-N 3.38Å; A779-K790 WeakPolarHBondContact O-CE 3.31Å
780	I	81.8	Confident	78.9	Confident	88 Å²	88	58.7 Å²	58.7	45%	0.451	31%	0.307	S	S	.	.	H	α-helix	trans	-86.6	-40.7	174.2	-61.8	-176.6	0	0	0	109.8	P777 P778 A782 E783	P777-I780 HydrophobicContact CG-CD1 4.2Å; P777-I780 HydrophobicContact CG-CG1 4.13Å; P777-I780 PolarHBondContact O-N 3.29Å; P778-I780 VanDerWaalsContact C-N 3.28Å; P778-I780 PolarHBondContact O-N 3.18Å; I780-A782 VanDerWaalsContact C-N 3.28Å; I780-A782 PolarHBondContact O-N 2.94Å; I780-E783 WeakPolarHBondContact O-CB 3.27Å; I780-E783 PolarHBondContact O-N 3.43Å
781	M	85.2	Confident	77.7	Confident	3 Å²	3	59 Å²	59	2%	0.015	31%	0.309	C	S	.	.	H	α-helix	trans	-64.8	-29.5	-179.4	-68.5	-177.6	68.6	0	0	113.3	F747 Y748 Y751 L758 P759 W760 Q776 P777 P778 E783 V784	F747-M781 HydrophobicContact CE1-CB 3.96Å; F747-M781 HydrophobicContact CE1-SD 4.26Å; F747-M781 HydrophobicContact CZ-CB 3.63Å; Y748-M781 HydrophobicContact CD1-CE 4.49Å; Y748-M781 HydrophobicContact CD1-SD 4.44Å; Y748-M781 HydrophobicContact CE1-SD 4Å; Y751-M781 HydrophobicContact CD1-CE 3.68Å; Y751-M781 HydrophobicContact CD2-CB 3.91Å; Y751-M781 HydrophobicContact CD2-CE 3.52Å; Y751-M781 HydrophobicContact CE1-CE 3.72Å; Y751-M781 HydrophobicContact CE2-CB 3.8Å; Y751-M781 HydrophobicContact CE2-CE 3.56Å; Y751-M781 HydrophobicContact CE2-CG 4.35Å; Y751-M781 WeakPolarHBondContact CE2-O 3.11Å; Y751-M781 HydrophobicContact CG-CE 3.61Å; L758-M781 HydrophobicContact CD2-CE 3.88Å; P759-M781 HydrophobicContact CG-CE 4.19Å; W760-M781 HydrophobicContact CH2-CE 3.89Å; W760-M781 HydrophobicContact CH2-SD 3.61Å; W760-M781 HydrophobicContact CZ3-CE 4.29Å; W760-M781 HydrophobicContact CZ3-SD 4.02Å; Q776-M781 HydrophobicContact CB-CG 3.91Å; Q776-M781 HydrophobicContact CB-SD 4.12Å; P777-M781 PolarHBondContact O-N 3.42Å; P777-M781 VanDerWaalsContact O-N 3.1Å; P778-M781 PolarHBondContact O-N 3.48Å; M781-E783 VanDerWaalsContact C-N 3.28Å; M781-E783 PolarHBondContact O-N 2.85Å; M781-V784 WeakPolarHBondContact O-CB 3.47Å; M781-V784 PolarHBondContact O-N 2.85Å
782	A	78.4	Confident	76.5	Confident	4 Å²	4	54.8 Å²	54.8	3%	0.033	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-63.6	-30.3	176.1	0	0	0	0	0	113.3	P778 I780 V784 L785 F789 K790	P778-A782 WeakPolarHBondContact O-CB 3.05Å; P778-A782 PolarHBondContact O-N 3.46Å; I780-A782 VanDerWaalsContact C-N 3.28Å; I780-A782 PolarHBondContact O-N 2.94Å; A782-V784 PolarHBondContact O-N 3.04Å; A782-L785 PolarHBondContact O-N 2.89Å; A782-F789 HydrophobicContact CB-CB 3.84Å; A782-K790 HydrophobicContact CB-CG 3.77Å
783	E	73.1	Confident	74.8	Confident	131 Å²	131	54.3 Å²	54.3	61%	0.612	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-66.7	-17.1	179.4	-57	-179.4	157.6	0	0	112.4	I780 M781 K790	I780-E783 WeakPolarHBondContact O-CB 3.27Å; I780-E783 PolarHBondContact O-N 3.43Å; M781-E783 VanDerWaalsContact C-N 3.28Å; M781-E783 PolarHBondContact O-N 2.85Å; E783-K790 IonicContact OE1-NZ 3.08Å; E783-K790 PolarHBondContact OE1-NZ 2.97Å
784	V	63.6	Low	73.4	Confident	101 Å²	101	59.7 Å²	59.7	61%	0.612	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-86.4	-11.1	176.4	-168.6	0	0	0	0	112.2	Y751 M781 A782	Y751-V784 HydrophobicContact CE2-CB 4.38Å; M781-V784 WeakPolarHBondContact O-CB 3.47Å; M781-V784 PolarHBondContact O-N 2.85Å; A782-V784 PolarHBondContact O-N 3.04Å
785	L	62.4	Low	71.8	Confident	16 Å²	16	64.4 Å²	64.4	8%	0.084	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-6.3	-168.7	-63.6	-174.2	0	0	0	115.5	F747 Y751 L754 A755 A782 I787 F789	F747-L785 HydrophobicContact CE2-CD1 4.23Å; Y751-L785 HydrophobicContact CD2-CD1 3.58Å; Y751-L785 HydrophobicContact CD2-CD2 3.82Å; Y751-L785 HydrophobicContact CD2-CG 3.78Å; Y751-L785 HydrophobicContact CE2-CD1 4.4Å; Y751-L785 HydrophobicContact CE2-CD2 3.99Å; Y751-L785 HydrophobicContact CE2-CG 4.11Å; Y751-L785 HydrophobicContact CG-CD1 4.17Å; Y751-L785 HydrophobicContact CG-CD2 4.37Å; L754-L785 HydrophobicContact CB-CD2 3.76Å; L754-L785 HydrophobicContact CD1-CB 4.43Å; L754-L785 HydrophobicContact CD1-CD1 3.99Å; L754-L785 HydrophobicContact CD1-CD2 4.3Å; L754-L785 HydrophobicContact CD1-CG 4.49Å; A755-L785 HydrophobicContact CB-CD2 4.36Å; A782-L785 PolarHBondContact O-N 2.89Å; L785-I787 PolarHBondContact O-N 3.05Å; L785-I787 VanDerWaalsContact O-N 3.08Å; L785-F789 HydrophobicContact CB-CD2 4.22Å; L785-F789 HydrophobicContact CB-CE2 4.45Å; L785-F789 HydrophobicContact CD1-CD2 3.6Å; L785-F789 HydrophobicContact CD1-CE2 3.83Å
786	D	65.2	Low	70.7	Confident	131 Å²	131	59 Å²	59	70%	0.701	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	28.1	-175.8	-166.8	55	0	0	0	114.2	K650	K650-D786 WeakPolarHBondContact CE-O 3.31Å; K650-D786 PolarHBondContact NZ-O 2.89Å; K650-D786 IonicContact NZ-OD2 3.34Å; K650-D786 PolarHBondContact NZ-OD2 2.87Å
787	I	64.3	Low	70	Confident	12 Å²	12	60 Å²	60	6%	0.062	32%	0.319	C	S	.	.	S	Bend	trans	-135	134.1	172.5	-63.1	169.4	0	0	0	105.9	K650 L754 L785 F789 V814	K650-I787 HydrophobicContact CD-CG1 4.41Å; K650-I787 VanDerWaalsContact CE-CG1 3.41Å; K650-I787 HydrophobicContact CG-CD1 3.73Å; K650-I787 HydrophobicContact CG-CG1 4.14Å; L754-I787 HydrophobicContact CD1-CD1 3.91Å; L785-I787 PolarHBondContact O-N 3.05Å; L785-I787 VanDerWaalsContact O-N 3.08Å; I787-F789 HydrophobicContact CB-CD2 3.54Å; I787-F789 HydrophobicContact CB-CE2 3.47Å; I787-F789 VanDerWaalsContact CB-CE2 3.47Å; I787-F789 HydrophobicContact CB-CG 4.4Å; I787-F789 HydrophobicContact CB-CZ 4.25Å; I787-F789 HydrophobicContact CD1-CE2 3.56Å; I787-F789 HydrophobicContact CD1-CZ 3.93Å; I787-F789 HydrophobicContact CG1-CE2 4.07Å; I787-F789 HydrophobicContact CG2-CD1 4.3Å; I787-F789 HydrophobicContact CG2-CD2 3.54Å; I787-F789 HydrophobicContact CG2-CE1 4.21Å; I787-F789 HydrophobicContact CG2-CE2 3.47Å; I787-F789 VanDerWaalsContact CG2-CE2 3.47Å; I787-F789 HydrophobicContact CG2-CG 3.96Å; I787-F789 HydrophobicContact CG2-CZ 3.8Å; I787-F789 PolarHBondContact O-N 2.7Å; I787-V814 HydrophobicContact CD1-CG1 3.96Å; I787-V814 HydrophobicContact CD1-CG2 4.4Å; I787-V814 HydrophobicContact CG1-CG1 4.23Å; I787-V814 HydrophobicContact CG1-CG2 3.97Å; I787-V814 HydrophobicContact CG2-CG2 4.16Å
788	N	67.8	Low	69.7	Low	86 Å²	86	59 Å²	59	46%	0.46	31%	0.309	S	S	.	.			trans	-76.3	55.6	-177.7	-165	11.9	0	0	0	113.2	K790	N788-K790 PolarHBondContact O-N 3.14Å; N788-K790 WeakPolarHBondContact OD1-CG 3.49Å
789	F	65.6	Low	69.6	Low	1 Å²	1	61.8 Å²	61.8	0%	0.004	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-62.5	-3.7	176.8	-80.5	-65.5	0	0	0	114.5	F747 A750 L754 A782 L785 I787 L791 F792 L811	F747-F789 HydrophobicContact CD2-CB 3.62Å; F747-F789 HydrophobicContact CD2-CD1 4.17Å; F747-F789 AromaticContact CD2-CG 3.96Å; F747-F789 HydrophobicContact CD2-CG 3.96Å; F747-F789 HydrophobicContact CE2-CB 3.5Å; F747-F789 HydrophobicContact CE2-CD2 4.38Å; F747-F789 AromaticContact CE2-CG 3.98Å; F747-F789 HydrophobicContact CE2-CG 3.98Å; A750-F789 HydrophobicContact CB-CD1 4.5Å; A750-F789 HydrophobicContact CB-CE1 3.77Å; A750-F789 HydrophobicContact CB-CE2 4.37Å; A750-F789 HydrophobicContact CB-CZ 3.7Å; L754-F789 HydrophobicContact CD1-CE2 3.53Å; L754-F789 HydrophobicContact CD1-CZ 4.01Å; A782-F789 HydrophobicContact CB-CB 3.84Å; L785-F789 HydrophobicContact CB-CD2 4.22Å; L785-F789 HydrophobicContact CB-CE2 4.45Å; L785-F789 HydrophobicContact CD1-CD2 3.6Å; L785-F789 HydrophobicContact CD1-CE2 3.83Å; I787-F789 HydrophobicContact CB-CD2 3.54Å; I787-F789 HydrophobicContact CB-CE2 3.47Å; I787-F789 VanDerWaalsContact CB-CE2 3.47Å; I787-F789 HydrophobicContact CB-CG 4.4Å; I787-F789 HydrophobicContact CB-CZ 4.25Å; I787-F789 HydrophobicContact CD1-CE2 3.56Å; I787-F789 HydrophobicContact CD1-CZ 3.93Å; I787-F789 HydrophobicContact CG1-CE2 4.07Å; I787-F789 HydrophobicContact CG2-CD1 4.3Å; I787-F789 HydrophobicContact CG2-CD2 3.54Å; I787-F789 HydrophobicContact CG2-CE1 4.21Å; I787-F789 HydrophobicContact CG2-CE2 3.47Å; I787-F789 VanDerWaalsContact CG2-CE2 3.47Å; I787-F789 HydrophobicContact CG2-CG 3.96Å; I787-F789 HydrophobicContact CG2-CZ 3.8Å; I787-F789 PolarHBondContact O-N 2.7Å; F789-L791 PolarHBondContact O-N 2.93Å; F789-L791 VanDerWaalsContact O-N 3.09Å; F789-F792 AromaticContact CD1-CD2 3.63Å; F789-F792 HydrophobicContact CD1-CD2 3.63Å; F789-F792 HydrophobicContact CD1-CE1 4.41Å; F789-F792 AromaticContact CD1-CE2 3.35Å; F789-F792 HydrophobicContact CD1-CE2 3.35Å; F789-F792 HydrophobicContact CD1-CG 4.27Å; F789-F792 AromaticContact CD1-CZ 3.78Å; F789-F792 HydrophobicContact CD1-CZ 3.78Å; F789-F792 HydrophobicContact CE1-CD2 4.41Å; F789-F792 HydrophobicContact CE1-CE1 4.43Å; F789-F792 AromaticContact CE1-CE2 3.71Å; F789-F792 HydrophobicContact CE1-CE2 3.71Å; F789-F792 AromaticContact CE1-CZ 3.72Å; F789-F792 HydrophobicContact CE1-CZ 3.72Å; F789-F792 WeakPolarHBondContact O-CB 3.29Å; F789-F792 PolarHBondContact O-N 3.49Å; F789-L811 HydrophobicContact CE1-CD2 4.34Å
790	K	62.9	Low	69.7	Low	69 Å²	69	61 Å²	61	30%	0.3	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-51.9	-34.8	176.6	-55.5	-167.4	-179.3	-164	0	111.3	A779 A782 E783 N788 F792 A793 E794	A779-K790 WeakPolarHBondContact O-CE 3.31Å; A782-K790 HydrophobicContact CB-CG 3.77Å; E783-K790 IonicContact OE1-NZ 3.08Å; E783-K790 PolarHBondContact OE1-NZ 2.97Å; N788-K790 PolarHBondContact O-N 3.14Å; N788-K790 WeakPolarHBondContact OD1-CG 3.49Å; K790-F792 VanDerWaalsContact C-N 3.27Å; K790-F792 PolarHBondContact O-N 3.4Å; K790-A793 CarbonylContact O-C 3.57Å; K790-A793 PolarHBondContact O-N 3.35Å; K790-A793 VanDerWaalsContact O-N 3.09Å; K790-E794 PolarHBondContact O-N 2.82Å
791	L	68.1	Low	69.8	Low	25 Å²	25	62.4 Å²	62.4	13%	0.131	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-66.7	-13.9	179.4	-72.2	154	0	0	0	115.3	F789 A793 E794 M806 L810	F789-L791 PolarHBondContact O-N 2.93Å; F789-L791 VanDerWaalsContact O-N 3.09Å; L791-A793 PolarHBondContact O-N 3.35Å; L791-E794 HydrophobicContact CD2-CG 4.5Å; L791-M806 HydrophobicContact CD1-CE 3.77Å; L791-M806 HydrophobicContact CD1-SD 4.5Å; L791-M806 HydrophobicContact CD2-CE 3.75Å; L791-M806 HydrophobicContact CD2-SD 3.87Å; L791-M806 HydrophobicContact CG-CE 4.45Å; L791-L810 HydrophobicContact CB-CD1 4.11Å; L791-L810 HydrophobicContact CD1-CD1 3.6Å; L791-L810 HydrophobicContact CD1-CD2 4.47Å; L791-L810 HydrophobicContact CG-CD1 4.48Å
792	F	66.3	Low	69.8	Low	2 Å²	2	62.5 Å²	62.5	1%	0.009	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-76.3	-13.4	171	-77.8	-121.3	0	0	0	112.9	I657 L746 F747 F789 K790 I807 L811	I657-F792 HydrophobicContact CG2-CE1 3.88Å; I657-F792 HydrophobicContact CG2-CZ 3.82Å; L746-F792 HydrophobicContact CD2-CD1 4.31Å; L746-F792 HydrophobicContact CD2-CE1 3.75Å; L746-F792 HydrophobicContact CG-CD1 4.43Å; L746-F792 HydrophobicContact CG-CE1 3.98Å; F747-F792 HydrophobicContact CB-CB 4.01Å; F747-F792 HydrophobicContact CB-CD1 4.28Å; F747-F792 HydrophobicContact CB-CG 4.42Å; F789-F792 AromaticContact CD1-CD2 3.63Å; F789-F792 HydrophobicContact CD1-CD2 3.63Å; F789-F792 HydrophobicContact CD1-CE1 4.41Å; F789-F792 AromaticContact CD1-CE2 3.35Å; F789-F792 HydrophobicContact CD1-CE2 3.35Å; F789-F792 HydrophobicContact CD1-CG 4.27Å; F789-F792 AromaticContact CD1-CZ 3.78Å; F789-F792 HydrophobicContact CD1-CZ 3.78Å; F789-F792 HydrophobicContact CE1-CD2 4.41Å; F789-F792 HydrophobicContact CE1-CE1 4.43Å; F789-F792 AromaticContact CE1-CE2 3.71Å; F789-F792 HydrophobicContact CE1-CE2 3.71Å; F789-F792 AromaticContact CE1-CZ 3.72Å; F789-F792 HydrophobicContact CE1-CZ 3.72Å; F789-F792 WeakPolarHBondContact O-CB 3.29Å; F789-F792 PolarHBondContact O-N 3.49Å; K790-F792 VanDerWaalsContact C-N 3.27Å; K790-F792 PolarHBondContact O-N 3.4Å; F792-I807 HydrophobicContact CD2-CD1 4.44Å; F792-I807 HydrophobicContact CD2-CG1 4.32Å; F792-I807 HydrophobicContact CD2-CG2 3.95Å; F792-I807 HydrophobicContact CE1-CG2 4Å; F792-I807 HydrophobicContact CE2-CB 4.42Å; F792-I807 HydrophobicContact CE2-CG1 4.44Å; F792-I807 HydrophobicContact CE2-CG2 3.3Å; F792-I807 HydrophobicContact CG-CD1 4.48Å; F792-I807 HydrophobicContact CZ-CG2 3.33Å; F792-L811 HydrophobicContact CZ-CD1 4.25Å; F792-L811 HydrophobicContact CZ-CD2 4.39Å
793	A	58.4	Low	70.2	Confident	32 Å²	32	66.5 Å²	66.5	26%	0.264	34%	0.344	S	S	.	.	S	Bend	trans	-145.7	25.6	-165.8	0	0	0	0	0	113.2	P778 K790 L791	P778-A793 HydrophobicContact CB-CB 3.46Å; P778-A793 VanDerWaalsContact CB-CB 3.46Å; P778-A793 HydrophobicContact CG-CB 3.64Å; K790-A793 CarbonylContact O-C 3.57Å; K790-A793 PolarHBondContact O-N 3.35Å; K790-A793 VanDerWaalsContact O-N 3.09Å; L791-A793 PolarHBondContact O-N 3.35Å
794	E	61.8	Low	71	Confident	114 Å²	114	60.7 Å²	60.7	53%	0.533	32%	0.317	S	S	.	.	S	Bend	trans	-64.3	171.2	165.9	-71.5	-168.9	161.6	0	0	111.2	K790 L791 L796	K790-E794 PolarHBondContact O-N 2.82Å; L791-E794 HydrophobicContact CD2-CG 4.5Å; E794-L796 PolarHBondContact O-N 3.44Å
795	H	57	Low	72.2	Confident	201 Å²	201	61 Å²	61	93%	0.931	31%	0.311	S	S	*	.			trans	-74.8	52.3	-165.4	-67.7	91.5	0	0	0	114.5	N797	H795-N797 PolarHBondContact O-N 3.11Å
796	L	67.4	Low	73.4	Confident	50 Å²	50	64.5 Å²	64.5	26%	0.262	33%	0.328	S	S	.	.			trans	-64.1	124.5	169.6	-60.9	173.4	0	0	0	109.3	A740 E794 E801 P802	A740-L796 HydrophobicContact CB-CB 3.62Å; A740-L796 HydrophobicContact CB-CD1 3.65Å; A740-L796 HydrophobicContact CB-CG 4.27Å; E794-L796 PolarHBondContact O-N 3.44Å; L796-E801 WeakPolarHBondContact CD2-O 3.28Å; L796-P802 HydrophobicContact CD1-CB 3.92Å; L796-P802 HydrophobicContact CD1-CG 3.98Å
797	N	72.4	Confident	74.4	Confident	90 Å²	90	58.4 Å²	58.4	48%	0.481	30%	0.296	S	S	.	.			trans	-82	-175.7	174.6	72.7	46.7	0	0	0	110.6	H795 T799 S800	H795-N797 PolarHBondContact O-N 3.11Å; N797-T799 VanDerWaalsContact C-N 3.28Å; N797-T799 PolarHBondContact O-N 2.75Å; N797-T799 PolarHBondContact OD1-N 2.81Å; N797-T799 PolarHBondContact OD1-OG1 2.88Å; N797-S800 PolarHBondContact N-OG 2.77Å; N797-S800 PolarHBondContact ND2-OG 2.99Å; N797-S800 PolarHBondContact O-N 3.34Å; N797-S800 PolarHBondContact OD1-N 3.3Å; N797-S800 PolarHBondContact OD1-OG 2.95Å
798	Y	79.6	Confident	75.6	Confident	26 Å²	26	59.7 Å²	59.7	10%	0.102	30%	0.303	C	S	.	.	S	Bend	trans	-63.6	-28.4	-175.7	-179.9	-97.2	0	0	0	114.3	F712 S713 E714 D736 L737 C738	F712-Y798 WeakPolarHBondContact O-CE1 3.25Å; S713-Y798 PolarHBondContact O-OH 2.79Å; E714-Y798 VanDerWaalsContact CA-CE1 3.46Å; E714-Y798 HydrophobicContact CB-CD1 3.69Å; E714-Y798 HydrophobicContact CB-CD2 4.11Å; E714-Y798 HydrophobicContact CB-CE1 3.9Å; E714-Y798 HydrophobicContact CB-CE2 4.31Å; E714-Y798 HydrophobicContact CB-CG 3.8Å; E714-Y798 HydrophobicContact CG-CD1 4.42Å; E714-Y798 HydrophobicContact CG-CD2 3.92Å; E714-Y798 HydrophobicContact CG-CE2 4.14Å; E714-Y798 HydrophobicContact CG-CG 4.06Å; E714-Y798 WeakPolarHBondContact OE2-CB 3.41Å; D736-Y798 HydrophobicContact CB-CE2 3.83Å; D736-Y798 PolarHBondContact OD2-OH 2.85Å; L737-Y798 WeakPolarHBondContact O-CE2 3.11Å; C738-Y798 HydrophobicContact CB-CD2 3.76Å; C738-Y798 HydrophobicContact CB-CE2 4.19Å; C738-Y798 HydrophobicContact CB-CG 4.3Å; C738-Y798 WeakPolarHBondContact CB-O 3.46Å
799	T	80.3	Confident	76.7	Confident	70 Å²	70	57.9 Å²	57.9	43%	0.429	30%	0.3	S	S	.	.	S	Bend	trans	-98.5	-16.8	178	58	0	0	0	0	113.8	P711 R739 N797	P711-T799 HydrophobicContact CB-CG2 4.07Å; P711-T799 HydrophobicContact CG-CG2 4.05Å; R739-T799 PolarHBondContact NH2-O 3.18Å; N797-T799 VanDerWaalsContact C-N 3.28Å; N797-T799 PolarHBondContact O-N 2.75Å; N797-T799 PolarHBondContact OD1-N 2.81Å; N797-T799 PolarHBondContact OD1-OG1 2.88Å
800	S	81.4	Confident	77.7	Confident	28 Å²	28	59.6 Å²	59.6	20%	0.196	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-49.9	145.1	-176.9	-68.1	0	0	0	0	114.6	R739 N797	R739-S800 PolarHBondContact NE-O 3.13Å; R739-S800 VanDerWaalsContact NE-O 3.16Å; R739-S800 PolarHBondContact NH2-O 2.69Å; N797-S800 PolarHBondContact N-OG 2.77Å; N797-S800 PolarHBondContact ND2-OG 2.99Å; N797-S800 PolarHBondContact O-N 3.34Å; N797-S800 PolarHBondContact OD1-N 3.3Å; N797-S800 PolarHBondContact OD1-OG 2.95Å
801	E	84.2	Confident	78.9	Confident	119 Å²	119	56.4 Å²	56.4	56%	0.556	30%	0.295	S	S	*	.	P	Polyproline II helix	trans	-87.6	124.3	168	-162.1	94.8	-158.3	0	0	108.6	R739 L796	R739-E801 IonicContact CZ-OE1 3.62Å; R739-E801 IonicContact CZ-OE2 3.41Å; R739-E801 IonicContact NH1-OE1 3.62Å; R739-E801 PolarHBondContact NH1-OE1 2.78Å; R739-E801 VanDerWaalsContact NH1-OE1 3.08Å; R739-E801 IonicContact NH1-OE2 2.79Å; R739-E801 PolarHBondContact NH1-OE2 3.2Å; R739-E801 IonicContact NH2-OE2 2.8Å; R739-E801 PolarHBondContact NH2-OE2 3.03Å; L796-E801 WeakPolarHBondContact CD2-O 3.28Å
802	P	85.3	Confident	79.9	Confident	4 Å²	4	57.4 Å²	57.4	3%	0.026	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-66	146	164.8	-16.7	29.8	0	0	0	111.6	R739 L743 L796 Y804	R739-P802 HydrophobicContact CB-CG 3.87Å; L743-P802 HydrophobicContact CD1-CB 3.29Å; L743-P802 HydrophobicContact CD1-CG 3.57Å; L796-P802 HydrophobicContact CD1-CB 3.92Å; L796-P802 HydrophobicContact CD1-CG 3.98Å; P802-Y804 HydrophobicContact CB-CE1 4.15Å; P802-Y804 HydrophobicContact CB-CE2 4.16Å; P802-Y804 WeakPolarHBondContact CD-OH 3.39Å; P802-Y804 HydrophobicContact CG-CE1 4.27Å; P802-Y804 HydrophobicContact CG-CE2 4.3Å; P802-Y804 WeakPolarHBondContact CG-OH 3.42Å; P802-Y804 WeakPolarHBondContact O-CD2 3.31Å; P802-Y804 VanDerWaalsContact O-CE2 3.29Å; P802-Y804 WeakPolarHBondContact O-CE2 3.34Å; P802-Y804 PolarHBondContact O-N 2.79Å; P802-Y804 VanDerWaalsContact O-N 3.12Å
803	N	87.1	Confident	81	Confident	88 Å²	88	60.5 Å²	60.5	47%	0.471	32%	0.319	S	S	.	.			trans	-84.3	81.2	173.3	-171.9	-17.7	0	0	0	109.8	E805 M806 I807	N803-E805 VanDerWaalsContact C-N 3.27Å; N803-E805 PolarHBondContact O-N 3.06Å; N803-M806 HydrophobicContact CB-CB 4.14Å; N803-M806 WeakPolarHBondContact ND2-CB 3.49Å; N803-M806 PolarHBondContact O-N 3.11Å; N803-M806 VanDerWaalsContact OD1-CB 3.3Å; N803-M806 WeakPolarHBondContact OD1-CB 3.31Å; N803-M806 PolarHBondContact OD1-N 2.91Å; N803-I807 WeakPolarHBondContact O-CG1 3.35Å; N803-I807 PolarHBondContact O-N 3.08Å
804	Y	89.9	Confident	82.3	Confident	9 Å²	9	59.5 Å²	59.5	4%	0.035	31%	0.309	C	S	.	.	H	α-helix	trans	-61.4	-37.7	-178.7	-54.9	-86.3	0	0	0	111.7	L661 K665 H668 L743 P802 M806 I807 D808	L661-Y804 HydrophobicContact CD1-CD1 4.08Å; L661-Y804 HydrophobicContact CG-CD1 4.43Å; K665-Y804 HydrophobicContact CB-CD1 3.87Å; K665-Y804 HydrophobicContact CB-CE1 4.18Å; K665-Y804 HydrophobicContact CB-CG 4.24Å; K665-Y804 HydrophobicContact CD-CD1 4.39Å; K665-Y804 HydrophobicContact CD-CD2 4.49Å; K665-Y804 HydrophobicContact CD-CG 3.98Å; K665-Y804 HydrophobicContact CG-CD1 3.97Å; K665-Y804 HydrophobicContact CG-CD2 4.1Å; K665-Y804 HydrophobicContact CG-CE1 4.42Å; K665-Y804 HydrophobicContact CG-CG 3.82Å; H668-Y804 AromaticContact ND1-CE1 3.99Å; H668-Y804 AromaticContact ND1-CZ 3.82Å; H668-Y804 PolarHBondContact ND1-OH 3.47Å; L743-Y804 HydrophobicContact CD1-CE1 4.24Å; L743-Y804 HydrophobicContact CD2-CE1 4.49Å; P802-Y804 HydrophobicContact CB-CE1 4.15Å; P802-Y804 HydrophobicContact CB-CE2 4.16Å; P802-Y804 WeakPolarHBondContact CD-OH 3.39Å; P802-Y804 HydrophobicContact CG-CE1 4.27Å; P802-Y804 HydrophobicContact CG-CE2 4.3Å; P802-Y804 WeakPolarHBondContact CG-OH 3.42Å; P802-Y804 WeakPolarHBondContact O-CD2 3.31Å; P802-Y804 VanDerWaalsContact O-CE2 3.29Å; P802-Y804 WeakPolarHBondContact O-CE2 3.34Å; P802-Y804 PolarHBondContact O-N 2.79Å; P802-Y804 VanDerWaalsContact O-N 3.12Å; Y804-M806 VanDerWaalsContact C-N 3.33Å; Y804-M806 PolarHBondContact O-N 2.98Å; Y804-I807 PolarHBondContact O-N 3.46Å; Y804-D808 VanDerWaalsContact O-CB 3.22Å; Y804-D808 WeakPolarHBondContact O-CB 3.29Å; Y804-D808 PolarHBondContact O-N 3.49Å
805	E	89.5	Confident	83.6	Confident	108 Å²	108	54.4 Å²	54.4	51%	0.505	29%	0.286	S	S	.	.	H	α-helix	trans	-60.5	-41.3	-179.8	-70.1	59.8	-140	0	0	111.6	K665 N803 A809	K665-E805 WeakPolarHBondContact CE-OE1 3.47Å; K665-E805 IonicContact NZ-OE1 3.34Å; K665-E805 PolarHBondContact NZ-OE1 2.98Å; N803-E805 VanDerWaalsContact C-N 3.27Å; N803-E805 PolarHBondContact O-N 3.06Å; E805-A809 VanDerWaalsContact O-CB 3.32Å; E805-A809 WeakPolarHBondContact O-CB 3.47Å; E805-A809 PolarHBondContact O-N 2.83Å
806	M	86.9	Confident	85.2	Confident	89 Å²	89	52.3 Å²	52.3	44%	0.438	27%	0.269	S	S	.	.	H	α-helix	trans	-71.2	-37	175.1	-174.1	168.5	-170.1	0	0	112.1	L791 N803 Y804 L810	L791-M806 HydrophobicContact CD1-CE 3.77Å; L791-M806 HydrophobicContact CD1-SD 4.5Å; L791-M806 HydrophobicContact CD2-CE 3.75Å; L791-M806 HydrophobicContact CD2-SD 3.87Å; L791-M806 HydrophobicContact CG-CE 4.45Å; N803-M806 HydrophobicContact CB-CB 4.14Å; N803-M806 WeakPolarHBondContact ND2-CB 3.49Å; N803-M806 PolarHBondContact O-N 3.11Å; N803-M806 VanDerWaalsContact OD1-CB 3.3Å; N803-M806 WeakPolarHBondContact OD1-CB 3.31Å; N803-M806 PolarHBondContact OD1-N 2.91Å; Y804-M806 VanDerWaalsContact C-N 3.33Å; Y804-M806 PolarHBondContact O-N 2.98Å; M806-L810 VanDerWaalsContact O-CG 3.31Å; M806-L810 WeakPolarHBondContact O-CG 3.44Å; M806-L810 PolarHBondContact O-N 3.25Å
807	I	87.2	Confident	86.2	Confident	4 Å²	4	56 Å²	56	2%	0.021	29%	0.285	C	S	.	.	H	α-helix	trans	-67.5	-44.8	176.5	-67.5	170.9	0	0	0	111.1	L661 L743 F792 N803 Y804 L810 L811	L661-I807 HydrophobicContact CD1-CB 4.41Å; L661-I807 HydrophobicContact CD1-CG2 3.81Å; L661-I807 HydrophobicContact CD2-CB 4.1Å; L661-I807 HydrophobicContact CD2-CG2 3.68Å; L661-I807 HydrophobicContact CG-CG2 4.37Å; L743-I807 HydrophobicContact CD1-CD1 4.01Å; F792-I807 HydrophobicContact CD2-CD1 4.44Å; F792-I807 HydrophobicContact CD2-CG1 4.32Å; F792-I807 HydrophobicContact CD2-CG2 3.95Å; F792-I807 HydrophobicContact CE1-CG2 4Å; F792-I807 HydrophobicContact CE2-CB 4.42Å; F792-I807 HydrophobicContact CE2-CG1 4.44Å; F792-I807 HydrophobicContact CE2-CG2 3.3Å; F792-I807 HydrophobicContact CG-CD1 4.48Å; F792-I807 HydrophobicContact CZ-CG2 3.33Å; N803-I807 WeakPolarHBondContact O-CG1 3.35Å; N803-I807 PolarHBondContact O-N 3.08Å; Y804-I807 PolarHBondContact O-N 3.46Å; I807-L810 WeakPolarHBondContact O-CB 3.39Å; I807-L810 PolarHBondContact O-N 3.22Å; I807-L811 HydrophobicContact CG2-CD1 4.07Å; I807-L811 WeakPolarHBondContact O-CG 3.16Å; I807-L811 PolarHBondContact O-N 2.93Å
808	D	89.8	Confident	86.9	Confident	38 Å²	38	55.5 Å²	55.5	20%	0.203	28%	0.28	C	S	.	.	H	α-helix	trans	-56.4	-52.2	173.9	-178.6	-178.9	0	0	0	110.8	K658 L661 Y804 L810 L811 V812	K658-D808 WeakPolarHBondContact CE-OD2 3.47Å; L661-D808 HydrophobicContact CD2-CB 4.13Å; Y804-D808 VanDerWaalsContact O-CB 3.22Å; Y804-D808 WeakPolarHBondContact O-CB 3.29Å; Y804-D808 PolarHBondContact O-N 3.49Å; D808-L810 VanDerWaalsContact C-N 3.26Å; D808-L810 PolarHBondContact O-N 3.02Å; D808-L810 VanDerWaalsContact O-N 3.16Å; D808-L811 PolarHBondContact O-N 3.03Å; D808-V812 WeakPolarHBondContact O-CG2 3.49Å; D808-V812 PolarHBondContact O-N 3.27Å; D808-V812 VanDerWaalsContact OD2-CG2 3.26Å; D808-V812 WeakPolarHBondContact OD2-CG2 3.39Å
809	A	89.2	Confident	87.2	Confident	48 Å²	48	61.4 Å²	61.4	40%	0.397	31%	0.313	S	S	.	.	H	α-helix	trans	-56.7	-34.7	178.6	0	0	0	0	0	113.9	E805 N813	E805-A809 VanDerWaalsContact O-CB 3.32Å; E805-A809 WeakPolarHBondContact O-CB 3.47Å; E805-A809 PolarHBondContact O-N 2.83Å; A809-N813 WeakPolarHBondContact O-CB 3.36Å; A809-N813 PolarHBondContact O-N 2.99Å; A809-N813 PolarHBondContact O-ND2 3.05Å
810	L	86.7	Confident	87.4	Confident	38 Å²	38	59 Å²	59	20%	0.199	30%	0.299	C	S	.	.	H	α-helix	trans	-66.3	-47.1	172.8	-65.1	163.1	0	0	0	111.6	L791 M806 I807 D808 N813 V814	L791-L810 HydrophobicContact CB-CD1 4.11Å; L791-L810 HydrophobicContact CD1-CD1 3.6Å; L791-L810 HydrophobicContact CD1-CD2 4.47Å; L791-L810 HydrophobicContact CG-CD1 4.48Å; M806-L810 VanDerWaalsContact O-CG 3.31Å; M806-L810 WeakPolarHBondContact O-CG 3.44Å; M806-L810 PolarHBondContact O-N 3.25Å; I807-L810 WeakPolarHBondContact O-CB 3.39Å; I807-L810 PolarHBondContact O-N 3.22Å; D808-L810 VanDerWaalsContact C-N 3.26Å; D808-L810 PolarHBondContact O-N 3.02Å; D808-L810 VanDerWaalsContact O-N 3.16Å; L810-N813 PolarHBondContact O-N 3.43Å; L810-V814 WeakPolarHBondContact O-CG2 3.48Å; L810-V814 PolarHBondContact O-N 2.81Å
811	L	88.2	Confident	87.4	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-63.7	-44.2	-178.8	-64.3	164.5	0	0	0	110.5	A654 I657 K658 L661 F789 F792 I807 D808 N813 V814 M815	A654-L811 HydrophobicContact CB-CD2 4.18Å; I657-L811 HydrophobicContact CB-CD2 4.18Å; I657-L811 HydrophobicContact CG2-CD1 4.05Å; I657-L811 HydrophobicContact CG2-CD2 3.93Å; K658-L811 HydrophobicContact CB-CB 4.33Å; K658-L811 HydrophobicContact CB-CD1 4.15Å; L661-L811 HydrophobicContact CD2-CD1 4.24Å; F789-L811 HydrophobicContact CE1-CD2 4.34Å; F792-L811 HydrophobicContact CZ-CD1 4.25Å; F792-L811 HydrophobicContact CZ-CD2 4.39Å; I807-L811 HydrophobicContact CG2-CD1 4.07Å; I807-L811 WeakPolarHBondContact O-CG 3.16Å; I807-L811 PolarHBondContact O-N 2.93Å; D808-L811 PolarHBondContact O-N 3.03Å; L811-N813 VanDerWaalsContact C-N 3.33Å; L811-N813 PolarHBondContact O-N 3.18Å; L811-V814 PolarHBondContact O-N 3.19Å; L811-M815 WeakPolarHBondContact O-CB 3.36Å; L811-M815 VanDerWaalsContact O-CG 3.23Å; L811-M815 WeakPolarHBondContact O-CG 3.12Å; L811-M815 PolarHBondContact O-N 3.33Å
812	V	89.3	Confident	86.8	Confident	47 Å²	47	60.5 Å²	60.5	29%	0.285	31%	0.305	S	S	.	.	H	α-helix	trans	-63.2	-36	175.2	171.3	0	0	0	0	112.2	K658 D808 R816	K658-V812 HydrophobicContact CD-CG2 3.97Å; D808-V812 WeakPolarHBondContact O-CG2 3.49Å; D808-V812 PolarHBondContact O-N 3.27Å; D808-V812 VanDerWaalsContact OD2-CG2 3.26Å; D808-V812 WeakPolarHBondContact OD2-CG2 3.39Å; V812-R816 WeakPolarHBondContact O-CB 3.33Å; V812-R816 PolarHBondContact O-N 3.08Å
813	N	88.7	Confident	86.1	Confident	67 Å²	67	65.9 Å²	65.9	36%	0.358	33%	0.333	S	S	.	.	H	α-helix	trans	-67.6	-45.4	173.9	-73.5	-19	0	0	0	111.8	A809 L810 L811 M815 R816 E817	A809-N813 WeakPolarHBondContact O-CB 3.36Å; A809-N813 PolarHBondContact O-N 2.99Å; A809-N813 PolarHBondContact O-ND2 3.05Å; L810-N813 PolarHBondContact O-N 3.43Å; L811-N813 VanDerWaalsContact C-N 3.33Å; L811-N813 PolarHBondContact O-N 3.18Å; N813-M815 VanDerWaalsContact C-N 3.35Å; N813-M815 PolarHBondContact O-N 3.44Å; N813-R816 WeakPolarHBondContact O-CB 3.47Å; N813-R816 PolarHBondContact O-N 3.42Å; N813-R816 VanDerWaalsContact O-N 3.14Å; N813-R816 PolarHBondContact OD1-NH1 3.36Å; N813-E817 WeakPolarHBondContact O-CG 3.45Å; N813-E817 PolarHBondContact O-N 3.38Å
814	V	87	Confident	85.5	Confident	10 Å²	10	63.5 Å²	63.5	6%	0.061	32%	0.322	C	S	.	.	H	α-helix	trans	-63	-40.1	175.8	173.2	0	0	0	0	111.7	K650 A654 I787 L810 L811 R816 E817 E818	K650-V814 HydrophobicContact CD-CG1 4.23Å; K650-V814 HydrophobicContact CG-CG1 3.82Å; A654-V814 HydrophobicContact CB-CB 4.03Å; A654-V814 HydrophobicContact CB-CG1 3.76Å; I787-V814 HydrophobicContact CD1-CG1 3.96Å; I787-V814 HydrophobicContact CD1-CG2 4.4Å; I787-V814 HydrophobicContact CG1-CG1 4.23Å; I787-V814 HydrophobicContact CG1-CG2 3.97Å; I787-V814 HydrophobicContact CG2-CG2 4.16Å; L810-V814 WeakPolarHBondContact O-CG2 3.48Å; L810-V814 PolarHBondContact O-N 2.81Å; L811-V814 PolarHBondContact O-N 3.19Å; V814-R816 VanDerWaalsContact C-N 3.34Å; V814-R816 PolarHBondContact O-N 2.72Å; V814-E817 PolarHBondContact O-N 2.72Å; V814-E818 HydrophobicContact CG1-CG 4.49Å; V814-E818 WeakPolarHBondContact O-CB 3.08Å; V814-E818 VanDerWaalsContact O-CG 3.28Å; V814-E818 WeakPolarHBondContact O-CG 3.23Å; V814-E818 PolarHBondContact O-N 2.66Å; V814-E818 VanDerWaalsContact O-N 3.09Å
815	M	89.2	Confident	84.6	Confident	8 Å²	8	68.4 Å²	68.4	4%	0.039	35%	0.348	C	S	.	.	H	α-helix	trans	-58.2	-45.9	172.1	-74.5	169	64.1	0	0	111	A654 A655 K658 L811 N813 E818 N819 V820 D821 E822	A654-M815 HydrophobicContact CB-CG 3.72Å; A655-M815 HydrophobicContact CB-CE 3.86Å; A655-M815 HydrophobicContact CB-CG 4.22Å; A655-M815 HydrophobicContact CB-SD 3.95Å; K658-M815 HydrophobicContact CD-SD 4.36Å; L811-M815 WeakPolarHBondContact O-CB 3.36Å; L811-M815 VanDerWaalsContact O-CG 3.23Å; L811-M815 WeakPolarHBondContact O-CG 3.12Å; L811-M815 PolarHBondContact O-N 3.33Å; N813-M815 VanDerWaalsContact C-N 3.35Å; N813-M815 PolarHBondContact O-N 3.44Å; M815-E818 CarbonylContact O-C 3.42Å; M815-E818 PolarHBondContact O-N 3.49Å; M815-N819 PolarHBondContact O-N 2.99Å; M815-N819 VanDerWaalsContact O-N 3.09Å; M815-V820 CarbonylContact C-O 3.54Å; M815-V820 HydrophobicContact CB-CB 4.35Å; M815-V820 WeakPolarHBondContact CB-O 3.2Å; M815-V820 HydrophobicContact CE-CG1 4.4Å; M815-V820 HydrophobicContact CG-CG1 4.33Å; M815-V820 PolarHBondContact O-N 2.64Å; M815-D821 VanDerWaalsContact CE-C 3.48Å; M815-E822 HydrophobicContact CE-CG 4.12Å
816	R	89.3	Confident	83.8	Confident	156 Å²	156	63.7 Å²	63.7	59%	0.589	33%	0.326	S	S	*	.	H	α-helix	trans	-64.4	-42.6	178.3	-165.7	-172.6	-55.5	111.6	6.3	112.9	V812 N813 V814 E818 N819	V812-R816 WeakPolarHBondContact O-CB 3.33Å; V812-R816 PolarHBondContact O-N 3.08Å; N813-R816 WeakPolarHBondContact O-CB 3.47Å; N813-R816 PolarHBondContact O-N 3.42Å; N813-R816 VanDerWaalsContact O-N 3.14Å; N813-R816 PolarHBondContact OD1-NH1 3.36Å; V814-R816 VanDerWaalsContact C-N 3.34Å; V814-R816 PolarHBondContact O-N 2.72Å; R816-E818 VanDerWaalsContact C-N 3.25Å; R816-E818 PolarHBondContact O-N 3.33Å; R816-N819 PolarHBondContact O-N 2.84Å
817	E	88.6	Confident	82.9	Confident	127 Å²	127	61.3 Å²	61.3	59%	0.593	32%	0.324	S	S	*	.	H	α-helix	trans	-59.5	-37.8	175.7	-73.8	166.5	-169.6	0	0	111.8	N813 V814	N813-E817 WeakPolarHBondContact O-CG 3.45Å; N813-E817 PolarHBondContact O-N 3.38Å; V814-E817 PolarHBondContact O-N 2.72Å
818	E	87.2	Confident	82	Confident	81 Å²	81	61.1 Å²	61.1	38%	0.379	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	2.8	-177.4	-67.4	-95.1	133.9	0	0	113.8	K650 G651 V814 M815 R816 V820	K650-E818 HydrophobicContact CB-CG 4.21Å; K650-E818 WeakPolarHBondContact CB-OE2 3.08Å; K650-E818 HydrophobicContact CD-CG 4.34Å; K650-E818 HydrophobicContact CG-CG 4.4Å; K650-E818 PolarHBondContact N-OE2 3.39Å; G651-E818 VanDerWaalsContact CA-CB 3.5Å; G651-E818 VanDerWaalsContact N-CG 3.35Å; G651-E818 PolarHBondContact N-OE2 2.69Å; V814-E818 HydrophobicContact CG1-CG 4.49Å; V814-E818 WeakPolarHBondContact O-CB 3.08Å; V814-E818 VanDerWaalsContact O-CG 3.28Å; V814-E818 WeakPolarHBondContact O-CG 3.23Å; V814-E818 PolarHBondContact O-N 2.66Å; V814-E818 VanDerWaalsContact O-N 3.09Å; M815-E818 CarbonylContact O-C 3.42Å; M815-E818 PolarHBondContact O-N 3.49Å; R816-E818 VanDerWaalsContact C-N 3.25Å; R816-E818 PolarHBondContact O-N 3.33Å; E818-V820 HydrophobicContact CB-CG2 4.28Å
819	N	87.1	Confident	81	Confident	149 Å²	149	60.5 Å²	60.5	80%	0.797	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	42.7	-175.4	-59.5	-92.6	0	0	0	113.9	M815 R816	M815-N819 PolarHBondContact O-N 2.99Å; M815-N819 VanDerWaalsContact O-N 3.09Å; R816-N819 PolarHBondContact O-N 2.84Å
820	V	84	Confident	80	Confident	20 Å²	20	63.9 Å²	63.9	12%	0.121	33%	0.327	C	S	.	.			trans	-111.3	141.8	175.3	175	0	0	0	0	109.6	I652 A655 M815 E818 T824	I652-V820 HydrophobicContact CD1-CG1 4.36Å; I652-V820 HydrophobicContact CD1-CG2 4.14Å; A655-V820 HydrophobicContact CB-CG1 3.88Å; M815-V820 CarbonylContact C-O 3.54Å; M815-V820 HydrophobicContact CB-CB 4.35Å; M815-V820 WeakPolarHBondContact CB-O 3.2Å; M815-V820 HydrophobicContact CE-CG1 4.4Å; M815-V820 HydrophobicContact CG-CG1 4.33Å; M815-V820 PolarHBondContact O-N 2.64Å; E818-V820 HydrophobicContact CB-CG2 4.28Å; V820-T824 HydrophobicContact CG1-CG2 3.96Å; V820-T824 HydrophobicContact CG2-CG2 4.41Å
821	D	82	Confident	78.6	Confident	74 Å²	74	64.3 Å²	64.3	40%	0.396	33%	0.329	S	S	.	.			trans	-122	178.9	172.3	82.4	-13.6	0	0	0	111.8	M815 N823 T824	M815-D821 VanDerWaalsContact CE-C 3.48Å; D821-N823 PolarHBondContact O-N 3.33Å; D821-N823 WeakPolarHBondContact OD1-CA 3.29Å; D821-N823 PolarHBondContact OD1-N 3.14Å; D821-N823 PolarHBondContact OD2-ND2 2.81Å; D821-N823 VanDerWaalsContact OD2-ND2 3.17Å; D821-T824 PolarHBondContact N-OG1 2.78Å; D821-T824 WeakPolarHBondContact O-CB 3.13Å; D821-T824 PolarHBondContact O-N 2.85Å; D821-T824 PolarHBondContact O-OG1 3.12Å; D821-T824 WeakPolarHBondContact OD1-CA 3.44Å; D821-T824 WeakPolarHBondContact OD1-CB 3.22Å; D821-T824 PolarHBondContact OD1-N 3.29Å; D821-T824 PolarHBondContact OD1-OG1 3.01Å
822	E	70.8	Confident	77.3	Confident	105 Å²	105	64.5 Å²	64.5	49%	0.491	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-16.6	-179.8	-61.8	-169.4	130.7	0	0	114.1	K658 M815	K658-E822 WeakPolarHBondContact CE-OE1 3.29Å; K658-E822 IonicContact NZ-OE1 2.77Å; K658-E822 PolarHBondContact NZ-OE1 2.89Å; M815-E822 HydrophobicContact CE-CG 4.12Å
823	N	71.3	Confident	75.7	Confident	116 Å²	116	68.2 Å²	68.2	62%	0.62	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-8.7	177.6	-53.4	-73	0	0	0	112.4	D821 L825	D821-N823 PolarHBondContact O-N 3.33Å; D821-N823 WeakPolarHBondContact OD1-CA 3.29Å; D821-N823 PolarHBondContact OD1-N 3.14Å; D821-N823 PolarHBondContact OD2-ND2 2.81Å; D821-N823 VanDerWaalsContact OD2-ND2 3.17Å; N823-L825 PolarHBondContact O-N 2.99Å
824	T	73.3	Confident	73.9	Confident	39 Å²	39	72 Å²	72	24%	0.239	36%	0.355	C	S	.	.			trans	-65.3	126.3	-169.7	-70.2	0	0	0	0	110.3	I652 V820 D821 F826	I652-T824 HydrophobicContact CD1-CG2 3.94Å; V820-T824 HydrophobicContact CG1-CG2 3.96Å; V820-T824 HydrophobicContact CG2-CG2 4.41Å; D821-T824 PolarHBondContact N-OG1 2.78Å; D821-T824 WeakPolarHBondContact O-CB 3.13Å; D821-T824 PolarHBondContact O-N 2.85Å; D821-T824 PolarHBondContact O-OG1 3.12Å; D821-T824 WeakPolarHBondContact OD1-CA 3.44Å; D821-T824 WeakPolarHBondContact OD1-CB 3.22Å; D821-T824 PolarHBondContact OD1-N 3.29Å; D821-T824 PolarHBondContact OD1-OG1 3.01Å; T824-F826 PolarHBondContact O-N 3.09Å
825	L	70.8	Confident	72	Confident	111 Å²	111	74.9 Å²	74.9	58%	0.581	37%	0.368	S	S	*	.			trans	-63.8	124.9	179.7	-58	-167	0	0	0	109.5	N823 G827 E829	N823-L825 PolarHBondContact O-N 2.99Å; L825-G827 PolarHBondContact O-N 3.04Å; L825-G827 VanDerWaalsContact O-N 3.11Å; L825-E829 HydrophobicContact CB-CG 4.19Å; L825-E829 WeakPolarHBondContact CB-OE2 3.06Å; L825-E829 HydrophobicContact CD1-CG 4.33Å; L825-E829 HydrophobicContact CD2-CG 4.07Å; L825-E829 HydrophobicContact CG-CG 4.41Å
826	F	72.9	Confident	69.9	Low	10 Å²	10	76 Å²	76	4%	0.044	37%	0.374	C	S	.	.			trans	-72.3	-3.6	-174.2	-60	-63	0	0	0	113	I652 A655 I656 S691 I693 T824 W828 E829	I652-F826 HydrophobicContact CG2-CB 4.43Å; I652-F826 HydrophobicContact CG2-CD1 4.21Å; A655-F826 HydrophobicContact CB-CE1 3.86Å; I656-F826 HydrophobicContact CD1-CD1 4.31Å; I656-F826 HydrophobicContact CG1-CD1 3.72Å; I656-F826 HydrophobicContact CG1-CE1 3.65Å; I656-F826 HydrophobicContact CG1-CG 4.39Å; I656-F826 HydrophobicContact CG1-CZ 4.25Å; S691-F826 VanDerWaalsContact O-CE2 3.31Å; S691-F826 WeakPolarHBondContact O-CE2 3.46Å; I693-F826 HydrophobicContact CD1-CE2 4.38Å; I693-F826 HydrophobicContact CD1-CZ 4.2Å; I693-F826 HydrophobicContact CG1-CE2 4.45Å; T824-F826 PolarHBondContact O-N 3.09Å; F826-W828 HydrophobicContact CB-CD2 3.82Å; F826-W828 HydrophobicContact CB-CE3 4.36Å; F826-W828 HydrophobicContact CB-CG 4.3Å; F826-W828 HydrophobicContact CB-CH2 4.13Å; F826-W828 HydrophobicContact CB-CZ2 3.55Å; F826-W828 HydrophobicContact CB-CZ3 4.5Å; F826-W828 HydrophobicContact CD1-CZ2 4.46Å; F826-W828 AromaticContact CD2-CE2 3.67Å; F826-W828 AromaticContact CD2-CZ2 3.5Å; F826-W828 HydrophobicContact CD2-CZ2 3.5Å; F826-W828 VanDerWaalsContact CD2-CZ2 3.5Å; F826-W828 AromaticContact CD2-NE1 3.54Å; F826-W828 HydrophobicContact CE2-CZ2 4.23Å; F826-W828 AromaticContact CG-CE2 3.83Å; F826-W828 HydrophobicContact CG-CH2 4.33Å; F826-W828 AromaticContact CG-CZ2 3.61Å; F826-W828 HydrophobicContact CG-CZ2 3.61Å; F826-E829 PolarHBondContact N-OE1 3.41Å; F826-E829 PolarHBondContact N-OE2 3.02Å
827	G	67.5	Low	67.8	Low	38 Å²	38	74.3 Å²	74.3	39%	0.392	37%	0.373	S	S	.	.	S	Bend	trans	93.1	-7.6	177.9	0	0	0	0	0	113.6	L825 E829 H830	L825-G827 PolarHBondContact O-N 3.04Å; L825-G827 VanDerWaalsContact O-N 3.11Å; G827-E829 WeakPolarHBondContact CA-OE2 3.42Å; G827-E829 PolarHBondContact N-OE2 2.81Å; G827-H830 PolarHBondContact O-CE1 3.3Å; G827-H830 PolarHBondContact O-ND1 3.1Å
828	W	69.5	Low	65.6	Low	1 Å²	1	73.2 Å²	73.2	0%	0.004	37%	0.368	C	S	.	.			trans	-97.3	1.1	178.5	52.3	49.3	0	0	0	114.4	L636 L639 L643 L648 I656 V684 F826 H830 L831 L832	L636-W828 HydrophobicContact CD2-CH2 3.74Å; L636-W828 HydrophobicContact CD2-CZ2 3.85Å; L639-W828 HydrophobicContact CB-CD2 3.92Å; L639-W828 HydrophobicContact CB-CE3 3.68Å; L639-W828 HydrophobicContact CB-CG 4.33Å; L639-W828 HydrophobicContact CB-CZ3 4.16Å; L639-W828 HydrophobicContact CD1-CD2 3.81Å; L639-W828 HydrophobicContact CD1-CE3 4.3Å; L639-W828 HydrophobicContact CD1-CG 4.09Å; L639-W828 HydrophobicContact CD1-CZ2 4.14Å; L639-W828 HydrophobicContact CD2-CB 4.28Å; L639-W828 HydrophobicContact CD2-CG 4.26Å; L639-W828 HydrophobicContact CG-CD2 4.32Å; L639-W828 HydrophobicContact CG-CG 4.45Å; L643-W828 HydrophobicContact CD1-CE3 3.82Å; L643-W828 HydrophobicContact CD1-CZ3 4.49Å; L643-W828 HydrophobicContact CD2-CB 4.41Å; L648-W828 HydrophobicContact CD1-CZ3 4.23Å; I656-W828 HydrophobicContact CD1-CH2 3.45Å; I656-W828 VanDerWaalsContact CD1-CH2 3.45Å; I656-W828 HydrophobicContact CD1-CZ2 4.34Å; I656-W828 HydrophobicContact CD1-CZ3 4.01Å; I656-W828 HydrophobicContact CG1-CH2 3.87Å; I656-W828 HydrophobicContact CG1-CZ2 4.36Å; V684-W828 HydrophobicContact CG1-CZ2 4.33Å; F826-W828 HydrophobicContact CB-CD2 3.82Å; F826-W828 HydrophobicContact CB-CE3 4.36Å; F826-W828 HydrophobicContact CB-CG 4.3Å; F826-W828 HydrophobicContact CB-CH2 4.13Å; F826-W828 HydrophobicContact CB-CZ2 3.55Å; F826-W828 HydrophobicContact CB-CZ3 4.5Å; F826-W828 HydrophobicContact CD1-CZ2 4.46Å; F826-W828 AromaticContact CD2-CE2 3.67Å; F826-W828 AromaticContact CD2-CZ2 3.5Å; F826-W828 HydrophobicContact CD2-CZ2 3.5Å; F826-W828 VanDerWaalsContact CD2-CZ2 3.5Å; F826-W828 AromaticContact CD2-NE1 3.54Å; F826-W828 HydrophobicContact CE2-CZ2 4.23Å; F826-W828 AromaticContact CG-CE2 3.83Å; F826-W828 HydrophobicContact CG-CH2 4.33Å; F826-W828 AromaticContact CG-CZ2 3.61Å; F826-W828 HydrophobicContact CG-CZ2 3.61Å; W828-H830 PolarHBondContact O-N 3.1Å; W828-H830 VanDerWaalsContact O-N 3.16Å; W828-L831 HydrophobicContact CB-CD1 3.99Å; W828-L831 HydrophobicContact CB-CG 4.48Å; W828-L831 WeakPolarHBondContact O-CA 3.44Å; W828-L831 WeakPolarHBondContact O-CB 3.26Å; W828-L831 PolarHBondContact O-N 3.47Å; W828-L832 PolarHBondContact O-N 3.25Å
829	E	69.3	Low	63.3	Low	24 Å²	24	73.3 Å²	73.3	11%	0.112	37%	0.368	C	S	.	.	H	α-helix	trans	-60.9	-28.9	-179.5	-64.2	68.2	-150	0	0	111.9	L825 F826 G827 L831 L832 K833	L825-E829 HydrophobicContact CB-CG 4.19Å; L825-E829 WeakPolarHBondContact CB-OE2 3.06Å; L825-E829 HydrophobicContact CD1-CG 4.33Å; L825-E829 HydrophobicContact CD2-CG 4.07Å; L825-E829 HydrophobicContact CG-CG 4.41Å; F826-E829 PolarHBondContact N-OE1 3.41Å; F826-E829 PolarHBondContact N-OE2 3.02Å; G827-E829 WeakPolarHBondContact CA-OE2 3.42Å; G827-E829 PolarHBondContact N-OE2 2.81Å; E829-L831 VanDerWaalsContact C-N 3.26Å; E829-L831 PolarHBondContact O-N 3.09Å; E829-L832 PolarHBondContact O-N 2.7Å; E829-K833 WeakPolarHBondContact O-CG 3.02Å; E829-K833 PolarHBondContact O-N 2.81Å
830	H	66.5	Low	61.1	Low	120 Å²	120	73.4 Å²	73.4	56%	0.556	36%	0.364	S	S	*	.	H	α-helix	trans	-68.9	-21.8	172.5	78.1	-88.3	0	0	0	113.5	G827 W828	G827-H830 PolarHBondContact O-CE1 3.3Å; G827-H830 PolarHBondContact O-ND1 3.1Å; W828-H830 PolarHBondContact O-N 3.1Å; W828-H830 VanDerWaalsContact O-N 3.16Å
831	L	59	Low	59	Low	47 Å²	47	75.7 Å²	75.7	25%	0.246	38%	0.376	C	S	.	.	H	α-helix	trans	-79	-39.4	170.4	-54.8	175.4	0	0	0	110.4	K642 L643 W828 E829	K642-L831 HydrophobicContact CB-CD1 3.73Å; L643-L831 HydrophobicContact CD2-CD1 4.21Å; L643-L831 HydrophobicContact CG-CD1 4.44Å; W828-L831 HydrophobicContact CB-CD1 3.99Å; W828-L831 HydrophobicContact CB-CG 4.48Å; W828-L831 WeakPolarHBondContact O-CA 3.44Å; W828-L831 WeakPolarHBondContact O-CB 3.26Å; W828-L831 PolarHBondContact O-N 3.47Å; E829-L831 VanDerWaalsContact C-N 3.26Å; E829-L831 PolarHBondContact O-N 3.09Å
832	L	60.9	Low	57	Low	4 Å²	4	72.8 Å²	72.8	2%	0.021	36%	0.36	C	S	.	.	H	α-helix	trans	-66.7	-35	-179.9	-56.2	178.7	0	0	0	112.6	P634 L639 V684 R690 W828 E829 K834 E835 D836	P634-L832 VanDerWaalsContact CD-CD2 3.45Å; P634-L832 HydrophobicContact CG-CD2 4Å; L639-L832 HydrophobicContact CD2-CD2 3.93Å; V684-L832 HydrophobicContact CG2-CD1 3.97Å; V684-L832 HydrophobicContact CG2-CD2 3.89Å; R690-L832 HydrophobicContact CB-CD1 3.85Å; R690-L832 HydrophobicContact CG-CD1 3.78Å; W828-L832 PolarHBondContact O-N 3.25Å; E829-L832 PolarHBondContact O-N 2.7Å; L832-K834 PolarHBondContact O-N 3.22Å; L832-E835 WeakPolarHBondContact O-CB 3.34Å; L832-E835 PolarHBondContact O-N 3.07Å; L832-D836 VanDerWaalsContact O-OD2 3.12Å
833	K	55.3	Low	55.3	Low	126 Å²	126	72.9 Å²	72.9	55%	0.548	36%	0.364	S	S	.	.	H	α-helix	trans	-50.8	-30	-179	-82.7	-175.4	177.5	-170.8	0	115.3	E829 E835 D836 E837	E829-K833 WeakPolarHBondContact O-CG 3.02Å; E829-K833 PolarHBondContact O-N 2.81Å; K833-E835 VanDerWaalsContact C-N 3.31Å; K833-E835 PolarHBondContact O-N 3.42Å; K833-D836 WeakPolarHBondContact CA-OD2 3.4Å; K833-D836 PolarHBondContact O-N 2.94Å; K833-E837 WeakPolarHBondContact O-CG 3.33Å; K833-E837 PolarHBondContact O-N 3.24Å; K833-E837 VanDerWaalsContact O-N 3.08Å
834	K	50.6	Low	53.7	Low	146 Å²	146	73.2 Å²	73.2	64%	0.635	36%	0.36	S	S	*	.	H	α-helix	trans	-65.7	-33.5	175.1	-88.5	-162	157.5	-135.5	0	113.3	L832 E838	L832-K834 PolarHBondContact O-N 3.22Å; K834-E838 WeakPolarHBondContact O-CG 3.36Å; K834-E838 PolarHBondContact O-N 2.81Å
835	E	47.5	Very low	51.8	Low	70 Å²	70	75.2 Å²	75.2	33%	0.327	37%	0.367	S	S	.	.	H	α-helix	trans	-77.7	-26.2	-177.7	-63.6	164.4	-172.6	0	0	110.5	P634 L832 K833 E838 E839	P634-E835 WeakPolarHBondContact CD-OE2 3.4Å; P634-E835 WeakPolarHBondContact CG-OE1 3.48Å; P634-E835 WeakPolarHBondContact CG-OE2 3.28Å; L832-E835 WeakPolarHBondContact O-CB 3.34Å; L832-E835 PolarHBondContact O-N 3.07Å; K833-E835 VanDerWaalsContact C-N 3.31Å; K833-E835 PolarHBondContact O-N 3.42Å; E835-E838 WeakPolarHBondContact O-CB 3.44Å; E835-E839 PolarHBondContact O-N 2.97Å
836	D	44.9	Very low	50.1	Low	32 Å²	32	71.2 Å²	71.2	17%	0.171	35%	0.346	C	S	.	.	H	α-helix	trans	-80.8	-32.9	169.8	-40.1	-98.8	0	0	0	113.3	R690 L832 K833 E838 E839 E840	R690-D836 IonicContact CZ-OD1 2.94Å; R690-D836 IonicContact CZ-OD2 2.77Å; R690-D836 IonicContact NE-OD1 2.72Å; R690-D836 IonicContact NE-OD2 3.81Å; R690-D836 IonicContact NH1-OD1 3.51Å; R690-D836 IonicContact NH1-OD2 2.65Å; R690-D836 PolarHBondContact NH1-OD2 3.39Å; R690-D836 IonicContact NH2-OD1 3.29Å; R690-D836 PolarHBondContact NH2-OD1 2.82Å; R690-D836 IonicContact NH2-OD2 2.7Å; R690-D836 PolarHBondContact NH2-OD2 2.99Å; R690-D836 VanDerWaalsContact NH2-OD2 3.17Å; L832-D836 VanDerWaalsContact O-OD2 3.12Å; K833-D836 WeakPolarHBondContact CA-OD2 3.4Å; K833-D836 PolarHBondContact O-N 2.94Å; D836-E838 PolarHBondContact O-N 2.92Å; D836-E839 CarbonylContact O-C 3.56Å; D836-E839 WeakPolarHBondContact O-CA 3.44Å; D836-E839 PolarHBondContact O-N 3.04Å; D836-E840 PolarHBondContact O-N 3.28Å
837	E	45	Very low	48.3	Very low	120 Å²	120	75.6 Å²	75.6	56%	0.561	37%	0.369	S	S	*	.	H	α-helix	trans	-62.9	-33.6	167.5	-75.2	172.5	-167.3	0	0	110.3	K833 N841	K833-E837 WeakPolarHBondContact O-CG 3.33Å; K833-E837 PolarHBondContact O-N 3.24Å; K833-E837 VanDerWaalsContact O-N 3.08Å; E837-N841 PolarHBondContact O-N 3.46Å; E837-N841 VanDerWaalsContact O-N 3.11Å; E837-N841 PolarHBondContact O-ND2 2.78Å
838	E	43.3	Very low	46.7	Very low	104 Å²	104	77.4 Å²	77.4	49%	0.486	37%	0.37	S	S	.	.	H	α-helix	trans	-65.9	-38.1	165.1	-75.8	171.7	-157.2	0	0	111.8	K834 E835 D836 E840 N841 V842	K834-E838 WeakPolarHBondContact O-CG 3.36Å; K834-E838 PolarHBondContact O-N 2.81Å; E835-E838 WeakPolarHBondContact O-CB 3.44Å; D836-E838 PolarHBondContact O-N 2.92Å; E838-E840 PolarHBondContact O-N 3.1Å; E838-N841 CarbonylContact O-C 3.54Å; E838-N841 VanDerWaalsContact O-C 3.22Å; E838-N841 WeakPolarHBondContact O-CA 3.42Å; E838-N841 WeakPolarHBondContact O-CB 3.21Å; E838-N841 PolarHBondContact O-N 3.23Å; E838-V842 WeakPolarHBondContact O-CG2 3.46Å; E838-V842 PolarHBondContact O-N 3.48Å
839	E	38.9	Very low	45	Very low	83 Å²	83	79 Å²	79	39%	0.388	38%	0.381	S	S	.	.	H	α-helix	trans	-71.2	-25.4	177.5	-149.5	172.6	-140.8	0	0	114.8	E835 D836 V842 N843	E835-E839 PolarHBondContact O-N 2.97Å; D836-E839 CarbonylContact O-C 3.56Å; D836-E839 WeakPolarHBondContact O-CA 3.44Å; D836-E839 PolarHBondContact O-N 3.04Å; E839-V842 HydrophobicContact CG-CB 4.42Å; E839-V842 WeakPolarHBondContact O-CB 3.49Å; E839-V842 PolarHBondContact O-N 2.87Å; E839-N843 PolarHBondContact O-N 3.48Å; E839-N843 PolarHBondContact O-ND2 3.12Å
840	E	40.5	Very low	43.3	Very low	151 Å²	151	81.4 Å²	81.4	71%	0.706	39%	0.391	S	S	*	.	H	α-helix	trans	-72.3	-38.7	162.9	-77.5	-157	144.6	0	0	111.7	D836 E838 V842 N843 K844	D836-E840 PolarHBondContact O-N 3.28Å; E838-E840 PolarHBondContact O-N 3.1Å; E840-V842 PolarHBondContact O-N 3.12Å; E840-N843 PolarHBondContact O-N 3.43Å; E840-N843 VanDerWaalsContact O-N 3.08Å; E840-K844 PolarHBondContact O-N 3.15Å
841	N	39.9	Very low	41.9	Very low	69 Å²	69	78.9 Å²	78.9	37%	0.369	38%	0.379	S	S	.	.	H	α-helix	trans	-68.4	-17.8	169.7	-70.2	-55	0	0	0	112.4	E837 E838 N843 K844 H845	E837-N841 PolarHBondContact O-N 3.46Å; E837-N841 VanDerWaalsContact O-N 3.11Å; E837-N841 PolarHBondContact O-ND2 2.78Å; E838-N841 CarbonylContact O-C 3.54Å; E838-N841 VanDerWaalsContact O-C 3.22Å; E838-N841 WeakPolarHBondContact O-CA 3.42Å; E838-N841 WeakPolarHBondContact O-CB 3.21Å; E838-N841 PolarHBondContact O-N 3.23Å; N841-N843 VanDerWaalsContact C-N 3.33Å; N841-K844 CarbonylContact O-C 3.54Å; N841-K844 VanDerWaalsContact O-CA 3.27Å; N841-K844 WeakPolarHBondContact O-CA 3.39Å; N841-K844 VanDerWaalsContact O-CB 3.28Å; N841-K844 WeakPolarHBondContact O-CB 3.43Å; N841-K844 PolarHBondContact O-N 3.34Å; N841-K844 WeakPolarHBondContact OD1-CD 3.21Å; N841-K844 PolarHBondContact OD1-NZ 2.73Å; N841-H845 WeakPolarHBondContact O-CB 3.34Å; N841-H845 PolarHBondContact O-N 2.75Å
842	V	38.6	Very low	40.7	Very low	12 Å²	12	81.1 Å²	81.1	7%	0.073	39%	0.391	C	S	.	.	H	α-helix	trans	-68.2	-33.5	167.9	155.9	0	0	0	0	110.3	Y579 E838 E839 E840 K844 H845 I846	Y579-V842 HydrophobicContact CD2-CB 4.48Å; Y579-V842 HydrophobicContact CD2-CG1 3.83Å; Y579-V842 HydrophobicContact CD2-CG2 3.85Å; Y579-V842 HydrophobicContact CE2-CB 3.95Å; Y579-V842 HydrophobicContact CE2-CG1 3.47Å; Y579-V842 VanDerWaalsContact CE2-CG1 3.47Å; Y579-V842 HydrophobicContact CE2-CG2 3.25Å; E838-V842 WeakPolarHBondContact O-CG2 3.46Å; E838-V842 PolarHBondContact O-N 3.48Å; E839-V842 HydrophobicContact CG-CB 4.42Å; E839-V842 WeakPolarHBondContact O-CB 3.49Å; E839-V842 PolarHBondContact O-N 2.87Å; E840-V842 PolarHBondContact O-N 3.12Å; V842-K844 PolarHBondContact O-N 3.16Å; V842-H845 CarbonylContact O-C 3.22Å; V842-H845 WeakPolarHBondContact O-CA 3.34Å; V842-H845 PolarHBondContact O-N 3.32Å; V842-I846 HydrophobicContact CG1-CD1 3.81Å; V842-I846 HydrophobicContact CG1-CG1 4.06Å; V842-I846 WeakPolarHBondContact O-CD1 3.29Å; V842-I846 WeakPolarHBondContact O-CG1 3.46Å; V842-I846 PolarHBondContact O-N 2.99Å
843	N	36	Very low	39.4	Very low	107 Å²	107	87 Å²	87	57%	0.572	42%	0.418	S	S	*	.	H	α-helix	trans	-67.6	-24.6	168.6	-76.2	-83.6	0	0	0	112.3	E839 E840 N841 L847	E839-N843 PolarHBondContact O-N 3.48Å; E839-N843 PolarHBondContact O-ND2 3.12Å; E840-N843 PolarHBondContact O-N 3.43Å; E840-N843 VanDerWaalsContact O-N 3.08Å; N841-N843 VanDerWaalsContact C-N 3.33Å; N843-L847 WeakPolarHBondContact O-CB 3.32Å; N843-L847 PolarHBondContact O-N 3.45Å
844	K	37	Very low	38.5	Very low	123 Å²	123	86.9 Å²	86.9	54%	0.535	42%	0.419	S	S	.	.	H	α-helix	trans	-82.2	-14	164.1	-59.5	173	-165.8	151.4	0	114.3	E840 N841 V842 N848	E840-K844 PolarHBondContact O-N 3.15Å; N841-K844 CarbonylContact O-C 3.54Å; N841-K844 VanDerWaalsContact O-CA 3.27Å; N841-K844 WeakPolarHBondContact O-CA 3.39Å; N841-K844 VanDerWaalsContact O-CB 3.28Å; N841-K844 WeakPolarHBondContact O-CB 3.43Å; N841-K844 PolarHBondContact O-N 3.34Å; N841-K844 WeakPolarHBondContact OD1-CD 3.21Å; N841-K844 PolarHBondContact OD1-NZ 2.73Å; V842-K844 PolarHBondContact O-N 3.16Å; K844-N848 WeakPolarHBondContact O-CB 3.25Å; K844-N848 PolarHBondContact O-N 2.83Å
845	H	33.3	Very low	37.8	Very low	82 Å²	82	81.6 Å²	81.6	38%	0.38	40%	0.397	S	S	.	.	H	α-helix	trans	-98.2	-30.7	-179.6	-129	86.9	0	0	0	112.1	N841 V842 L847 N848 C849	N841-H845 WeakPolarHBondContact O-CB 3.34Å; N841-H845 PolarHBondContact O-N 2.75Å; V842-H845 CarbonylContact O-C 3.22Å; V842-H845 WeakPolarHBondContact O-CA 3.34Å; V842-H845 PolarHBondContact O-N 3.32Å; H845-L847 VanDerWaalsContact C-N 3.28Å; H845-N848 CarbonylContact O-C 3.55Å; H845-N848 PolarHBondContact O-N 2.88Å; H845-C849 WeakPolarHBondContact O-CA 3.33Å; H845-C849 WeakPolarHBondContact O-CB 3.38Å; H845-C849 PolarHBondContact O-N 2.92Å; H845-C849 PolarHBondContact O-SG 3.13Å
846	I	35.8	Very low	37	Very low	27 Å²	27	80.6 Å²	80.6	14%	0.138	40%	0.397	C	S	.	.	H	α-helix	trans	-63.8	-40	158.9	-55.8	153.5	0	0	0	108.7	L572 G577 V842 K850	L572-I846 HydrophobicContact CD1-CG1 4.12Å; G577-I846 WeakPolarHBondContact O-CD1 3.35Å; G577-I846 WeakPolarHBondContact O-CG1 3.12Å; V842-I846 HydrophobicContact CG1-CD1 3.81Å; V842-I846 HydrophobicContact CG1-CG1 4.06Å; V842-I846 WeakPolarHBondContact O-CD1 3.29Å; V842-I846 WeakPolarHBondContact O-CG1 3.46Å; V842-I846 PolarHBondContact O-N 2.99Å; I846-K850 HydrophobicContact CG2-CD 4.01Å; I846-K850 HydrophobicContact CG2-CG 4.36Å; I846-K850 VanDerWaalsContact O-CB 3.3Å; I846-K850 WeakPolarHBondContact O-CB 3.47Å; I846-K850 PolarHBondContact O-N 3.09Å
847	L	35.7	Very low	36.3	Very low	102 Å²	102	79.2 Å²	79.2	53%	0.534	39%	0.391	S	S	.	.	H	α-helix	trans	-57.9	-63.5	164.9	-115	71.7	0	0	0	109.2	N843 H845 C849 K850 E851	N843-L847 WeakPolarHBondContact O-CB 3.32Å; N843-L847 PolarHBondContact O-N 3.45Å; H845-L847 VanDerWaalsContact C-N 3.28Å; L847-C849 PolarHBondContact O-N 2.99Å; L847-K850 PolarHBondContact O-N 3.31Å; L847-E851 WeakPolarHBondContact O-CA 3.17Å; L847-E851 WeakPolarHBondContact O-CB 3.35Å; L847-E851 VanDerWaalsContact O-CG 3.32Å; L847-E851 WeakPolarHBondContact O-CG 3.49Å; L847-E851 PolarHBondContact O-N 2.83Å
848	N	33.9	Very low	36.2	Very low	75 Å²	75	77.6 Å²	77.6	40%	0.401	38%	0.379	S	S	.	.	H	α-helix	trans	-60.6	-18.9	-177.4	-80.4	-20.5	0	0	0	115.6	K844 H845 I852	K844-N848 WeakPolarHBondContact O-CB 3.25Å; K844-N848 PolarHBondContact O-N 2.83Å; H845-N848 CarbonylContact O-C 3.55Å; H845-N848 PolarHBondContact O-N 2.88Å; N848-I852 WeakPolarHBondContact O-CA 3.31Å; N848-I852 VanDerWaalsContact O-CB 3.27Å; N848-I852 WeakPolarHBondContact O-CB 3.46Å; N848-I852 WeakPolarHBondContact O-CD1 3.18Å; N848-I852 WeakPolarHBondContact O-CG1 3.22Å; N848-I852 PolarHBondContact O-N 2.89Å
849	C	32.7	Very low	35.8	Very low	35 Å²	35	73.7 Å²	73.7	24%	0.236	36%	0.361	C	S	.	.	H	α-helix	trans	-95.5	-43	179.5	-70.5	0	0	0	0	113.4	L572 H845 L847 E851 I852 E853	L572-C849 HydrophobicContact CD2-CB 4.21Å; H845-C849 WeakPolarHBondContact O-CA 3.33Å; H845-C849 WeakPolarHBondContact O-CB 3.38Å; H845-C849 PolarHBondContact O-N 2.92Å; H845-C849 PolarHBondContact O-SG 3.13Å; L847-C849 PolarHBondContact O-N 2.99Å; C849-E851 VanDerWaalsContact C-N 3.3Å; C849-I852 VanDerWaalsContact C-N 3.32Å; C849-I852 WeakPolarHBondContact O-CA 3.39Å; C849-I852 WeakPolarHBondContact O-CB 3.45Å; C849-I852 PolarHBondContact O-N 2.85Å; C849-E853 PolarHBondContact O-N 2.92Å; C849-E853 VanDerWaalsContact O-N 3.13Å
850	K	33.9	Very low	35.6	Very low	74 Å²	74	69.8 Å²	69.8	32%	0.322	34%	0.343	S	S	.	.	H	α-helix	trans	-72.2	-31.5	167.9	-67.5	-173.6	174.8	179.3	0	111.2	L574 I846 L847 Q854	L574-K850 WeakPolarHBondContact O-CE 3.46Å; L574-K850 PolarHBondContact O-NZ 2.77Å; I846-K850 HydrophobicContact CG2-CD 4.01Å; I846-K850 HydrophobicContact CG2-CG 4.36Å; I846-K850 VanDerWaalsContact O-CB 3.3Å; I846-K850 WeakPolarHBondContact O-CB 3.47Å; I846-K850 PolarHBondContact O-N 3.09Å; L847-K850 PolarHBondContact O-N 3.31Å; K850-Q854 WeakPolarHBondContact O-CB 3.24Å; K850-Q854 WeakPolarHBondContact O-CG 3.48Å; K850-Q854 PolarHBondContact O-N 3.32Å
851	E	37.4	Very low	35.5	Very low	67 Å²	67	64.1 Å²	64.1	31%	0.313	32%	0.318	S	S	.	.	H	α-helix	trans	-61.7	-47.6	156.5	-75.3	-154.1	-149.1	0	0	110.4	L847 C849 E853 Q854 Q855 R858	L847-E851 WeakPolarHBondContact O-CA 3.17Å; L847-E851 WeakPolarHBondContact O-CB 3.35Å; L847-E851 VanDerWaalsContact O-CG 3.32Å; L847-E851 WeakPolarHBondContact O-CG 3.49Å; L847-E851 PolarHBondContact O-N 2.83Å; C849-E851 VanDerWaalsContact C-N 3.3Å; E851-E853 CarbonylContact O-C 3.56Å; E851-E853 PolarHBondContact O-N 3.25Å; E851-Q854 CarbonylContact O-C 3.56Å; E851-Q854 WeakPolarHBondContact O-CA 3.24Å; E851-Q854 PolarHBondContact O-N 3.29Å; E851-Q855 VanDerWaalsContact C-CG 3.46Å; E851-Q855 HydrophobicContact CB-CG 3.72Å; E851-Q855 WeakPolarHBondContact O-CA 3.47Å; E851-Q855 WeakPolarHBondContact O-CB 3.36Å; E851-Q855 WeakPolarHBondContact O-CG 3.26Å; E851-Q855 PolarHBondContact O-N 2.85Å; E851-Q855 PolarHBondContact OE2-NE2 3.16Å; E851-R858 IonicContact OE2-NH2 3.89Å; E851-R858 PolarHBondContact OE2-NH2 2.87Å; E851-R858 VanDerWaalsContact OE2-NH2 3.12Å
852	I	33.4	Very low	35.3	Very low	95 Å²	95	63 Å²	63	49%	0.487	32%	0.315	S	S	.	.	H	α-helix	trans	-50.6	-38.5	178.7	-92	159.4	0	0	0	113.1	N848 C849 Q855 S856	N848-I852 WeakPolarHBondContact O-CA 3.31Å; N848-I852 VanDerWaalsContact O-CB 3.27Å; N848-I852 WeakPolarHBondContact O-CB 3.46Å; N848-I852 WeakPolarHBondContact O-CD1 3.18Å; N848-I852 WeakPolarHBondContact O-CG1 3.22Å; N848-I852 PolarHBondContact O-N 2.89Å; C849-I852 VanDerWaalsContact C-N 3.32Å; C849-I852 WeakPolarHBondContact O-CA 3.39Å; C849-I852 WeakPolarHBondContact O-CB 3.45Å; C849-I852 PolarHBondContact O-N 2.85Å; I852-Q855 PolarHBondContact O-N 3.43Å; I852-S856 PolarHBondContact O-N 3.18Å; I852-S856 PolarHBondContact O-OG 3.22Å
853	E	33	Very low	35.1	Very low	127 Å²	127	64.9 Å²	64.9	59%	0.593	33%	0.327	S	S	*	.	H	α-helix	trans	-66.9	-43	169.8	-62.6	-178.9	127.7	0	0	112.3	C849 E851 Q855 S856	C849-E853 PolarHBondContact O-N 2.92Å; C849-E853 VanDerWaalsContact O-N 3.13Å; E851-E853 CarbonylContact O-C 3.56Å; E851-E853 PolarHBondContact O-N 3.25Å; E853-Q855 VanDerWaalsContact C-N 3.32Å; E853-Q855 PolarHBondContact O-N 3.13Å; E853-S856 WeakPolarHBondContact O-CB 3.46Å
854	Q	37.1	Very low	35	Very low	124 Å²	124	63 Å²	63	58%	0.579	33%	0.333	S	S	*	.	H	α-helix	trans	-80.8	1.3	172.9	-58.5	163	22.1	0	0	114.9	K850 E851 A857	K850-Q854 WeakPolarHBondContact O-CB 3.24Å; K850-Q854 WeakPolarHBondContact O-CG 3.48Å; K850-Q854 PolarHBondContact O-N 3.32Å; E851-Q854 CarbonylContact O-C 3.56Å; E851-Q854 WeakPolarHBondContact O-CA 3.24Å; E851-Q854 PolarHBondContact O-N 3.29Å; Q854-A857 VanDerWaalsContact O-CB 3.3Å; Q854-A857 WeakPolarHBondContact O-CB 3.44Å; Q854-A857 PolarHBondContact O-N 3.31Å
855	Q	35.2	Very low	35	Very low	35 Å²	35	62.4 Å²	62.4	16%	0.164	33%	0.332	C	S	.	.	H	α-helix	trans	-113.2	-23.7	-178.6	-70.2	173.4	15.5	0	0	109.8	E851 I852 E853 A857 R858	E851-Q855 VanDerWaalsContact C-CG 3.46Å; E851-Q855 HydrophobicContact CB-CG 3.72Å; E851-Q855 WeakPolarHBondContact O-CA 3.47Å; E851-Q855 WeakPolarHBondContact O-CB 3.36Å; E851-Q855 WeakPolarHBondContact O-CG 3.26Å; E851-Q855 PolarHBondContact O-N 2.85Å; E851-Q855 PolarHBondContact OE2-NE2 3.16Å; I852-Q855 PolarHBondContact O-N 3.43Å; E853-Q855 VanDerWaalsContact C-N 3.32Å; E853-Q855 PolarHBondContact O-N 3.13Å; Q855-A857 PolarHBondContact O-N 3.03Å; Q855-R858 HydrophobicContact CB-CG 4.19Å; Q855-R858 HydrophobicContact CG-CG 4.4Å; Q855-R858 WeakPolarHBondContact O-CB 3.41Å; Q855-R858 PolarHBondContact O-N 2.93Å
856	S	31.4	Very low	35.6	Very low	48 Å²	48	62.7 Å²	62.7	34%	0.336	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-22.9	145.6	-55.3	0	0	0	0	110.4	I852 E853 F886 N887	I852-S856 PolarHBondContact O-N 3.18Å; I852-S856 PolarHBondContact O-OG 3.22Å; E853-S856 WeakPolarHBondContact O-CB 3.46Å; S856-F886 WeakPolarHBondContact O-CB 3.3Å; S856-F886 WeakPolarHBondContact O-CG 3.25Å; S856-N887 VanDerWaalsContact C-ND2 3.26Å; S856-N887 WeakPolarHBondContact CB-OD1 3.36Å; S856-N887 PolarHBondContact O-ND2 3.11Å
857	A	29.8	Very low	36	Very low	4 Å²	4	70.1 Å²	70.1	3%	0.033	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	6.2	167.2	0	0	0	0	0	115.5	Q854 Q855 K859 N887 Y927	Q854-A857 VanDerWaalsContact O-CB 3.3Å; Q854-A857 WeakPolarHBondContact O-CB 3.44Å; Q854-A857 PolarHBondContact O-N 3.31Å; Q855-A857 PolarHBondContact O-N 3.03Å; A857-K859 PolarHBondContact O-N 3.46Å; A857-N887 WeakPolarHBondContact CA-ND2 3.44Å; A857-N887 WeakPolarHBondContact CB-ND2 3.29Å; A857-N887 PolarHBondContact N-ND2 3.32Å; A857-N887 VanDerWaalsContact N-ND2 3.15Å; A857-Y927 HydrophobicContact CB-CD1 4.38Å; A857-Y927 HydrophobicContact CB-CG 4.42Å
858	R	43.9	Very low	36.7	Very low	85 Å²	85	69.8 Å²	69.8	32%	0.321	36%	0.364	S	S	.	.	S	Bend	trans	-73.4	121.6	176.2	-82.4	168.8	175.9	155.2	7.5	110.1	E851 Q855	E851-R858 IonicContact OE2-NH2 3.89Å; E851-R858 PolarHBondContact OE2-NH2 2.87Å; E851-R858 VanDerWaalsContact OE2-NH2 3.12Å; Q855-R858 HydrophobicContact CB-CG 4.19Å; Q855-R858 HydrophobicContact CG-CG 4.4Å; Q855-R858 WeakPolarHBondContact O-CB 3.41Å; Q855-R858 PolarHBondContact O-N 2.93Å
859	K	34.8	Very low	38	Very low	22 Å²	22	71.1 Å²	71.1	10%	0.096	37%	0.367	C	S	.	.			trans	66.6	77.1	177.3	-55.4	161.2	-173.4	161.5	0	111.8	V57 L61 E84 A857 V861 W928	V57-K859 HydrophobicContact CG2-CB 4.25Å; V57-K859 HydrophobicContact CG2-CD 4.38Å; L61-K859 HydrophobicContact CD2-CD 4.29Å; E84-K859 IonicContact OE1-NZ 2.7Å; E84-K859 IonicContact OE2-NZ 2.73Å; A857-K859 PolarHBondContact O-N 3.46Å; K859-V861 WeakPolarHBondContact O-CG2 3.02Å; K859-V861 PolarHBondContact O-N 2.88Å; K859-W928 HydrophobicContact CB-CZ2 4.44Å; K859-W928 HydrophobicContact CD-CZ2 4.46Å; K859-W928 HydrophobicContact CG-CH2 4.25Å; K859-W928 HydrophobicContact CG-CZ2 3.46Å; K859-W928 VanDerWaalsContact CG-CZ2 3.46Å
860	A	33.7	Very low	39.9	Very low	2 Å²	2	74 Å²	74	2%	0.017	38%	0.378	C	S	.	.			trans	-49.3	124.7	142.2	0	0	0	0	0	107.7	C862 V891 V893 V939	A860-C862 PolarHBondContact O-N 3.27Å; A860-V891 HydrophobicContact CB-CG2 3.68Å; A860-V893 HydrophobicContact CB-CG2 4.35Å; A860-V939 HydrophobicContact CB-CB 4.48Å; A860-V939 HydrophobicContact CB-CG1 3.76Å; A860-V939 HydrophobicContact CB-CG2 3.88Å
861	V	39.8	Very low	41.8	Very low	31 Å²	31	74.2 Å²	74.2	19%	0.188	38%	0.381	C	S	.	.			trans	-86.1	87.7	-152.5	-179.4	0	0	0	0	111.2	V57 K859 T863 L885 F886	V57-V861 HydrophobicContact CG2-CB 4.24Å; V57-V861 HydrophobicContact CG2-CG1 3.69Å; V57-V861 HydrophobicContact CG2-CG2 3.72Å; K859-V861 WeakPolarHBondContact O-CG2 3.02Å; K859-V861 PolarHBondContact O-N 2.88Å; V861-T863 HydrophobicContact CG1-CG2 3.82Å; V861-T863 WeakPolarHBondContact CG1-OG1 3.49Å; V861-T863 PolarHBondContact O-N 3.36Å; V861-L885 HydrophobicContact CB-CD1 4.23Å; V861-L885 HydrophobicContact CG2-CD1 4Å; V861-F886 HydrophobicContact CG2-CE2 4.23Å
862	C	34.3	Very low	43.1	Very low	45 Å²	45	72.5 Å²	72.5	30%	0.304	38%	0.381	S	S	.	.			trans	-72	50.5	166.6	-66	0	0	0	0	112.7	A860 F937	A860-C862 PolarHBondContact O-N 3.27Å; C862-F937 HydrophobicContact CB-CE1 4.16Å
863	T	34.9	Very low	44.4	Very low	53 Å²	53	71.9 Å²	71.9	33%	0.325	39%	0.386	S	S	.	.			trans	-87.4	108.8	151.8	59.2	0	0	0	0	106.3	V861 E865	V861-T863 HydrophobicContact CG1-CG2 3.82Å; V861-T863 WeakPolarHBondContact CG1-OG1 3.49Å; V861-T863 PolarHBondContact O-N 3.36Å; T863-E865 PolarHBondContact O-N 3.32Å
864	G	34.6	Very low	45.7	Very low	68 Å²	68	68.2 Å²	68.2	70%	0.701	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	65.4	-168.6	0	0	0	0	0	115.1
865	E	37.3	Very low	46.4	Very low	110 Å²	110	66.2 Å²	66.2	51%	0.514	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.7	0.9	176.4	-70.8	-174.1	-167.6	0	0	113.2	R179 T863	R179-E865 WeakPolarHBondContact CD-OE2 3.29Å; R179-E865 IonicContact CZ-OE2 3.53Å; R179-E865 IonicContact NE-OE2 3.15Å; R179-E865 IonicContact NH1-OE2 3.73Å; R179-E865 PolarHBondContact NH1-OE2 2.98Å; T863-E865 PolarHBondContact O-N 3.32Å
866	E	45.1	Very low	47.7	Very low	87 Å²	87	68.5 Å²	68.5	41%	0.407	40%	0.402	S	S	.	.	S	Bend	trans	-120.5	147.9	175.7	-60.9	-170.3	176.9	0	0	109.3	R179 E868	R179-E866 IonicContact CZ-OE1 3.64Å; R179-E866 IonicContact NH2-OE1 3.33Å; R179-E866 PolarHBondContact NH2-OE1 2.82Å; E866-E868 PolarHBondContact O-N 3.06Å
867	E	43.6	Very low	49.4	Very low	183 Å²	183	67.1 Å²	67.1	86%	0.855	40%	0.396	S	S	*	.			trans	-65.7	98.8	-153.3	-63.6	-174.9	140.2	0	0	114.2	E869	E867-E869 VanDerWaalsContact C-N 3.32Å; E867-E869 PolarHBondContact O-N 2.67Å
868	E	52	Low	51.6	Low	96 Å²	96	68.5 Å²	68.5	45%	0.449	40%	0.404	S	S	.	.			trans	-66.6	81.6	172.5	-74.3	-174.3	171.1	0	0	111.3	E866 E870 Y880	E866-E868 PolarHBondContact O-N 3.06Å; E868-E870 PolarHBondContact O-N 3.4Å; E868-E870 VanDerWaalsContact O-N 3.08Å; E868-Y880 HydrophobicContact CB-CD1 3.73Å; E868-Y880 HydrophobicContact CB-CE1 4.15Å; E868-Y880 HydrophobicContact CB-CG 4.43Å; E868-Y880 HydrophobicContact CG-CD1 4.24Å
869	E	61.2	Low	53.4	Low	102 Å²	102	66.2 Å²	66.2	48%	0.477	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	104	166.8	-173.7	179.2	-165.9	0	0	109	E867 I871 Y880 K881	E867-E869 VanDerWaalsContact C-N 3.32Å; E867-E869 PolarHBondContact O-N 2.67Å; E869-I871 HydrophobicContact CG-CG2 4.28Å; E869-I871 PolarHBondContact O-N 2.83Å; E869-Y880 WeakPolarHBondContact O-CA 3.43Å; E869-K881 HydrophobicContact CB-CB 4.44Å; E869-K881 PolarHBondContact O-N 3.48Å; E869-K881 WeakPolarHBondContact OE2-CD 3.44Å; E869-K881 WeakPolarHBondContact OE2-CE 3.23Å; E869-K881 IonicContact OE2-NZ 3.75Å; E869-K881 PolarHBondContact OE2-NZ 3.13Å
870	E	70.7	Confident	55.6	Low	96 Å²	96	67 Å²	67	45%	0.449	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	100.9	171.9	-175.3	-178.9	123.2	0	0	109.7	E868 G872 S873 T878 Y880	E868-E870 PolarHBondContact O-N 3.4Å; E868-E870 VanDerWaalsContact O-N 3.08Å; E870-G872 VanDerWaalsContact C-N 3.29Å; E870-S873 WeakPolarHBondContact OE1-CB 3.48Å; E870-S873 PolarHBondContact OE1-N 2.82Å; E870-S873 PolarHBondContact OE1-OG 3.04Å; E870-T878 HydrophobicContact CG-CG2 3.61Å; E870-T878 WeakPolarHBondContact OE2-CG2 3.46Å; E870-Y880 HydrophobicContact CB-CD1 4.28Å; E870-Y880 HydrophobicContact CB-CE1 4.34Å
871	I	74.4	Confident	57.8	Low	79 Å²	79	69.7 Å²	69.7	41%	0.405	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	-5.9	176.4	57.7	170.1	0	0	0	112.8	E869 V879 K881 A892 L942	E869-I871 HydrophobicContact CG-CG2 4.28Å; E869-I871 PolarHBondContact O-N 2.83Å; I871-V879 HydrophobicContact CD1-CG1 3.9Å; I871-V879 HydrophobicContact CG1-CB 4.21Å; I871-V879 HydrophobicContact CG1-CG1 3.85Å; I871-V879 WeakPolarHBondContact CG1-O 3Å; I871-V879 PolarHBondContact N-O 2.91Å; I871-K881 HydrophobicContact CD1-CB 4.23Å; I871-K881 HydrophobicContact CG1-CB 4.46Å; I871-K881 HydrophobicContact CG2-CB 3.66Å; I871-K881 HydrophobicContact CG2-CD 4.41Å; I871-A892 HydrophobicContact CD1-CB 4.26Å; I871-L942 HydrophobicContact CD1-CD1 3.68Å
872	G	64.8	Low	59.1	Low	30 Å²	30	69.3 Å²	69.3	31%	0.309	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	171.2	125.2	162.4	0	0	0	0	0	114	E870 V879	E870-G872 VanDerWaalsContact C-N 3.29Å; G872-V879 PolarHBondContact N-O 3.38Å; G872-V879 PolarHBondContact O-N 2.66Å
873	S	61.9	Low	60.7	Low	83 Å²	83	69.6 Å²	69.6	58%	0.58	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.2	145.2	160.2	41.8	0	0	0	0	111.5	E870	E870-S873 WeakPolarHBondContact OE1-CB 3.48Å; E870-S873 PolarHBondContact OE1-N 2.82Å; E870-S873 PolarHBondContact OE1-OG 3.04Å
874	G	58.7	Low	62.1	Low	49 Å²	49	67.1 Å²	67.1	51%	0.505	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	169.6	170.3	0	0	0	0	0	110.8	Y876 G877	G874-Y876 PolarHBondContact O-N 2.96Å; G874-G877 PolarHBondContact N-O 2.93Å; G874-G877 PolarHBondContact O-N 3.04Å; G874-G877 VanDerWaalsContact O-O 3.09Å
875	G	52.5	Low	63	Low	82 Å²	82	65 Å²	65	85%	0.845	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	5.1	-178.2	0	0	0	0	0	116
876	Y	62.2	Low	63.6	Low	83 Å²	83	61.2 Å²	61.2	33%	0.325	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.5	2.8	-175.3	-46.8	-40.5	0	0	0	113.3	G874 R906	G874-Y876 PolarHBondContact O-N 2.96Å; Y876-R906 VanDerWaalsContact CE1-NH2 3.25Å; Y876-R906 VanDerWaalsContact CZ-NH1 3.31Å
877	G	68	Low	64.2	Low	20 Å²	20	59.9 Å²	59.9	21%	0.206	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	145.2	172.3	-178.1	0	0	0	0	0	113	G874 M895	G874-G877 PolarHBondContact N-O 2.93Å; G874-G877 PolarHBondContact O-N 3.04Å; G874-G877 VanDerWaalsContact O-O 3.09Å; G877-M895 WeakPolarHBondContact CA-O 3.34Å
878	T	74.5	Confident	65.1	Low	32 Å²	32	54.2 Å²	54.2	20%	0.196	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	140.5	177.2	-49.6	0	0	0	0	110.2	E870 Y880 K894 M895	E870-T878 HydrophobicContact CG-CG2 3.61Å; E870-T878 WeakPolarHBondContact OE2-CG2 3.46Å; T878-Y880 HydrophobicContact CG2-CD1 4.37Å; T878-Y880 HydrophobicContact CG2-CD2 4.35Å; T878-Y880 HydrophobicContact CG2-CE1 3.76Å; T878-Y880 HydrophobicContact CG2-CE2 3.71Å; T878-Y880 VanDerWaalsContact CG2-CZ 3.41Å; T878-K894 WeakPolarHBondContact O-CA 3.48Å; T878-M895 PolarHBondContact N-O 3.41Å; T878-M895 VanDerWaalsContact N-O 3.15Å; T878-M895 PolarHBondContact O-N 2.78Å
879	V	82.5	Confident	65.9	Low	37 Å²	37	52.6 Å²	52.6	22%	0.224	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	124	174	-167.7	0	0	0	0	109.8	I871 G872 A892 V893 K894	I871-V879 HydrophobicContact CD1-CG1 3.9Å; I871-V879 HydrophobicContact CG1-CB 4.21Å; I871-V879 HydrophobicContact CG1-CG1 3.85Å; I871-V879 WeakPolarHBondContact CG1-O 3Å; I871-V879 PolarHBondContact N-O 2.91Å; G872-V879 PolarHBondContact N-O 3.38Å; G872-V879 PolarHBondContact O-N 2.66Å; V879-A892 HydrophobicContact CG1-CB 4.17Å; V879-V893 CarbonylContact C-O 3.47Å; V879-V893 WeakPolarHBondContact CA-O 3.1Å; V879-K894 HydrophobicContact CG2-CB 4.14Å; V879-K894 HydrophobicContact CG2-CD 4.19Å; V879-K894 HydrophobicContact CG2-CG 3.95Å
880	Y	80.2	Confident	66.7	Low	38 Å²	38	53.6 Å²	53.6	15%	0.149	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	145.2	177	-55.1	-82.1	0	0	0	110.2	E868 E869 E870 T878 V893 M895	E868-Y880 HydrophobicContact CB-CD1 3.73Å; E868-Y880 HydrophobicContact CB-CE1 4.15Å; E868-Y880 HydrophobicContact CB-CG 4.43Å; E868-Y880 HydrophobicContact CG-CD1 4.24Å; E869-Y880 WeakPolarHBondContact O-CA 3.43Å; E870-Y880 HydrophobicContact CB-CD1 4.28Å; E870-Y880 HydrophobicContact CB-CE1 4.34Å; T878-Y880 HydrophobicContact CG2-CD1 4.37Å; T878-Y880 HydrophobicContact CG2-CD2 4.35Å; T878-Y880 HydrophobicContact CG2-CE1 3.76Å; T878-Y880 HydrophobicContact CG2-CE2 3.71Å; T878-Y880 VanDerWaalsContact CG2-CZ 3.41Å; Y880-V893 PolarHBondContact N-O 3.31Å; Y880-V893 PolarHBondContact O-N 3.43Å; Y880-M895 HydrophobicContact CE2-CE 3.79Å
881	K	79.8	Confident	67.4	Low	60 Å²	60	49 Å²	49	26%	0.261	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	122.4	163.8	169.4	177.9	147.2	-148.1	0	107.9	E869 I871 Y890 L942	E869-K881 HydrophobicContact CB-CB 4.44Å; E869-K881 PolarHBondContact O-N 3.48Å; E869-K881 WeakPolarHBondContact OE2-CD 3.44Å; E869-K881 WeakPolarHBondContact OE2-CE 3.23Å; E869-K881 IonicContact OE2-NZ 3.75Å; E869-K881 PolarHBondContact OE2-NZ 3.13Å; I871-K881 HydrophobicContact CD1-CB 4.23Å; I871-K881 HydrophobicContact CG1-CB 4.46Å; I871-K881 HydrophobicContact CG2-CB 3.66Å; I871-K881 HydrophobicContact CG2-CD 4.41Å; K881-Y890 HydrophobicContact CD-CD1 4.24Å; K881-Y890 HydrophobicContact CG-CD1 3.86Å; K881-L942 HydrophobicContact CD-CD2 4.35Å; K881-L942 HydrophobicContact CG-CD2 4.29Å
882	A	68.9	Low	68	Low	23 Å²	23	45.5 Å²	45.5	19%	0.19	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	162.1	176.5	0	0	0	0	0	110.5	Y890 V891 V893	A882-Y890 WeakPolarHBondContact O-CA 3.4Å; A882-V891 HydrophobicContact CB-CG2 4.19Å; A882-V891 PolarHBondContact N-O 3.25Å; A882-V891 PolarHBondContact O-N 2.79Å; A882-V893 HydrophobicContact CB-CG2 3.58Å
883	F	66	Low	69	Low	50 Å²	50	44.2 Å²	44.2	22%	0.219	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	127.4	171.3	-165.1	-101.8	0	0	0	109.9	L885 D888 Y890	F883-L885 HydrophobicContact CD1-CD2 4.18Å; F883-L885 PolarHBondContact O-N 2.63Å; F883-D888 HydrophobicContact CZ-CB 4.39Å; F883-D888 WeakPolarHBondContact CZ-O 3.38Å; F883-D888 WeakPolarHBondContact CZ-OD1 3.46Å; F883-Y890 HydrophobicContact CB-CD1 4.37Å; F883-Y890 HydrophobicContact CB-CE1 4.3Å; F883-Y890 AromaticContact CD2-CD1 3.94Å; F883-Y890 HydrophobicContact CD2-CD1 3.94Å; F883-Y890 AromaticContact CD2-CD2 3.97Å; F883-Y890 HydrophobicContact CD2-CD2 3.97Å; F883-Y890 AromaticContact CD2-CE1 3.83Å; F883-Y890 HydrophobicContact CD2-CE1 3.83Å; F883-Y890 AromaticContact CD2-CE2 3.85Å; F883-Y890 HydrophobicContact CD2-CE2 3.85Å; F883-Y890 HydrophobicContact CD2-CG 4.01Å; F883-Y890 AromaticContact CD2-CZ 3.78Å; F883-Y890 HydrophobicContact CE2-CD2 4.23Å; F883-Y890 HydrophobicContact CE2-CE2 4.03Å
884	D	65.8	Low	70.2	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.011	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	99.5	169.3	-175.9	-18.6	0	0	0	108.3	F886 N887 D888 H889 V891	D884-F886 PolarHBondContact O-N 3.47Å; D884-F886 WeakPolarHBondContact OD1-CB 3.44Å; D884-F886 PolarHBondContact OD1-N 2.83Å; D884-N887 HydrophobicContact CB-CB 4.44Å; D884-N887 PolarHBondContact OD1-N 2.83Å; D884-N887 WeakPolarHBondContact OD2-CB 3.22Å; D884-N887 PolarHBondContact OD2-ND2 3.17Å; D884-D888 WeakPolarHBondContact O-CA 3.43Å; D884-D888 PolarHBondContact O-N 2.94Å; D884-H889 WeakPolarHBondContact CB-O 2.91Å; D884-H889 PolarHBondContact N-O 3.16Å; D884-H889 IonicContact OD2-CE1 1.91Å; D884-V891 HydrophobicContact CB-CG1 4.2Å
885	L	53.9	Low	71.2	Confident	22 Å²	22	39.7 Å²	39.7	12%	0.115	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-27.2	180	-71.7	170.7	0	0	0	113	W62 Y65 V861 F883	W62-L885 HydrophobicContact CZ3-CD1 4.34Å; Y65-L885 PolarHBondContact OH-O 2.86Å; V861-L885 HydrophobicContact CB-CD1 4.23Å; V861-L885 HydrophobicContact CG2-CD1 4Å; F883-L885 HydrophobicContact CD1-CD2 4.18Å; F883-L885 PolarHBondContact O-N 2.63Å
886	F	50	Low	72.4	Confident	32 Å²	32	37.2 Å²	37.2	14%	0.14	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-56.2	-178.6	-59.3	-92.7	0	0	0	110.4	L61 Y65 S856 V861 D884	L61-F886 HydrophobicContact CG-CZ 4.47Å; Y65-F886 AromaticContact CD2-CD1 3.48Å; Y65-F886 HydrophobicContact CD2-CD1 3.48Å; Y65-F886 VanDerWaalsContact CD2-CD1 3.48Å; Y65-F886 AromaticContact CD2-CE1 3.95Å; Y65-F886 HydrophobicContact CD2-CE1 3.95Å; Y65-F886 HydrophobicContact CD2-CG 4.36Å; Y65-F886 HydrophobicContact CE2-CB 4.41Å; Y65-F886 AromaticContact CE2-CD1 3.97Å; Y65-F886 HydrophobicContact CE2-CD1 3.97Å; Y65-F886 HydrophobicContact CE2-CG 4.44Å; Y65-F886 HydrophobicContact CG-CD1 4.06Å; Y65-F886 HydrophobicContact CG-CE1 4.07Å; S856-F886 WeakPolarHBondContact O-CB 3.3Å; S856-F886 WeakPolarHBondContact O-CG 3.25Å; V861-F886 HydrophobicContact CG2-CE2 4.23Å; D884-F886 PolarHBondContact O-N 3.47Å; D884-F886 WeakPolarHBondContact OD1-CB 3.44Å; D884-F886 PolarHBondContact OD1-N 2.83Å
887	N	56.7	Low	72.7	Confident	58 Å²	58	39.4 Å²	39.4	31%	0.31	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	1.6	-177.1	-64.2	-51.3	0	0	0	114.9	S856 A857 D884 H889	S856-N887 VanDerWaalsContact C-ND2 3.26Å; S856-N887 WeakPolarHBondContact CB-OD1 3.36Å; S856-N887 PolarHBondContact O-ND2 3.11Å; A857-N887 WeakPolarHBondContact CA-ND2 3.44Å; A857-N887 WeakPolarHBondContact CB-ND2 3.29Å; A857-N887 PolarHBondContact N-ND2 3.32Å; A857-N887 VanDerWaalsContact N-ND2 3.15Å; D884-N887 HydrophobicContact CB-CB 4.44Å; D884-N887 PolarHBondContact OD1-N 2.83Å; D884-N887 WeakPolarHBondContact OD2-CB 3.22Å; D884-N887 PolarHBondContact OD2-ND2 3.17Å; N887-H889 VanDerWaalsContact C-N 3.32Å; N887-H889 VanDerWaalsContact CB-CE1 3.49Å; N887-H889 WeakPolarHBondContact CB-CE1 3.44Å; N887-H889 VanDerWaalsContact CB-ND1 3.25Å; N887-H889 WeakPolarHBondContact CB-ND1 3.45Å; N887-H889 PolarHBondContact O-N 3.42Å; N887-H889 PolarHBondContact O-ND1 2.89Å
888	D	62	Low	72.5	Confident	64 Å²	64	40.1 Å²	40.1	34%	0.342	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	30.4	170.1	-138.4	25.6	0	0	0	114.8	K171 F883 D884	K171-D888 WeakPolarHBondContact CD-OD2 3.41Å; K171-D888 WeakPolarHBondContact CE-OD2 3.47Å; K171-D888 IonicContact NZ-OD1 3.62Å; K171-D888 IonicContact NZ-OD2 3.16Å; K171-D888 PolarHBondContact NZ-OD2 3.18Å; F883-D888 HydrophobicContact CZ-CB 4.39Å; F883-D888 WeakPolarHBondContact CZ-O 3.38Å; F883-D888 WeakPolarHBondContact CZ-OD1 3.46Å; D884-D888 WeakPolarHBondContact O-CA 3.43Å; D884-D888 PolarHBondContact O-N 2.94Å
889	H	68.7	Low	71.6	Confident	62 Å²	62	45.7 Å²	45.7	29%	0.287	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	165.7	-179.6	74.8	-75.9	0	0	0	112.8	D884 N887 V891	D884-H889 WeakPolarHBondContact CB-O 2.91Å; D884-H889 PolarHBondContact N-O 3.16Å; D884-H889 IonicContact OD2-CE1 1.91Å; N887-H889 VanDerWaalsContact C-N 3.32Å; N887-H889 VanDerWaalsContact CB-CE1 3.49Å; N887-H889 WeakPolarHBondContact CB-CE1 3.44Å; N887-H889 VanDerWaalsContact CB-ND1 3.25Å; N887-H889 WeakPolarHBondContact CB-ND1 3.45Å; N887-H889 PolarHBondContact O-N 3.42Å; N887-H889 PolarHBondContact O-ND1 2.89Å; H889-V891 WeakPolarHBondContact NE2-CG1 3.37Å
890	Y	79.1	Confident	70.1	Confident	123 Å²	123	55.8 Å²	55.8	48%	0.482	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	140.4	178	-69.6	-87.4	0	0	0	112.4	K881 A882 F883	K881-Y890 HydrophobicContact CD-CD1 4.24Å; K881-Y890 HydrophobicContact CG-CD1 3.86Å; A882-Y890 WeakPolarHBondContact O-CA 3.4Å; F883-Y890 HydrophobicContact CB-CD1 4.37Å; F883-Y890 HydrophobicContact CB-CE1 4.3Å; F883-Y890 AromaticContact CD2-CD1 3.94Å; F883-Y890 HydrophobicContact CD2-CD1 3.94Å; F883-Y890 AromaticContact CD2-CD2 3.97Å; F883-Y890 HydrophobicContact CD2-CD2 3.97Å; F883-Y890 AromaticContact CD2-CE1 3.83Å; F883-Y890 HydrophobicContact CD2-CE1 3.83Å; F883-Y890 AromaticContact CD2-CE2 3.85Å; F883-Y890 HydrophobicContact CD2-CE2 3.85Å; F883-Y890 HydrophobicContact CD2-CG 4.01Å; F883-Y890 AromaticContact CD2-CZ 3.78Å; F883-Y890 HydrophobicContact CE2-CD2 4.23Å; F883-Y890 HydrophobicContact CE2-CE2 4.03Å
891	V	84.8	Confident	68.9	Low	0 Å²	0	57.4 Å²	57.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	160.2	-178.9	-62.6	0	0	0	0	110.7	A860 A882 D884 H889 V893 Y927 V939	A860-V891 HydrophobicContact CB-CG2 3.68Å; A882-V891 HydrophobicContact CB-CG2 4.19Å; A882-V891 PolarHBondContact N-O 3.25Å; A882-V891 PolarHBondContact O-N 2.79Å; D884-V891 HydrophobicContact CB-CG1 4.2Å; H889-V891 WeakPolarHBondContact NE2-CG1 3.37Å; V891-V893 HydrophobicContact CG2-CG2 4.39Å; V891-Y927 HydrophobicContact CB-CD2 4.44Å; V891-Y927 HydrophobicContact CB-CE2 4.48Å; V891-Y927 HydrophobicContact CG1-CD2 3.85Å; V891-Y927 HydrophobicContact CG1-CE2 3.75Å; V891-V939 HydrophobicContact CB-CG1 3.73Å; V891-V939 HydrophobicContact CG1-CG1 4.3Å; V891-V939 HydrophobicContact CG2-CG1 3.56Å
892	A	87.2	Confident	67.5	Low	6 Å²	6	59.5 Å²	59.5	5%	0.05	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	127.1	173	0	0	0	0	0	110.5	I871 V879 V939 I940 L942	I871-A892 HydrophobicContact CD1-CB 4.26Å; V879-A892 HydrophobicContact CG1-CB 4.17Å; A892-V939 WeakPolarHBondContact O-CA 3.37Å; A892-I940 HydrophobicContact CB-CG1 4.03Å; A892-I940 PolarHBondContact N-O 3.1Å; A892-I940 PolarHBondContact O-N 3.45Å; A892-L942 HydrophobicContact CB-CD1 4.04Å
893	V	86.1	Confident	66.7	Low	2 Å²	2	62 Å²	62	1%	0.012	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	115.5	178.8	-169.9	0	0	0	0	109.3	A860 V879 Y880 A882 V891 F937 I938 V939	A860-V893 HydrophobicContact CB-CG2 4.35Å; V879-V893 CarbonylContact C-O 3.47Å; V879-V893 WeakPolarHBondContact CA-O 3.1Å; Y880-V893 PolarHBondContact N-O 3.31Å; Y880-V893 PolarHBondContact O-N 3.43Å; A882-V893 HydrophobicContact CB-CG2 3.58Å; V891-V893 HydrophobicContact CG2-CG2 4.39Å; V893-F937 HydrophobicContact CG1-CD1 4.2Å; V893-I938 CarbonylContact C-O 3.5Å; V893-I938 WeakPolarHBondContact CA-O 3.48Å; V893-V939 HydrophobicContact CG1-CG2 4.28Å; V893-V939 HydrophobicContact CG2-CG1 4.39Å; V893-V939 HydrophobicContact CG2-CG2 4.17Å
894	K	86.2	Confident	66.3	Low	18 Å²	18	64.1 Å²	64.1	8%	0.078	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	132.6	177.1	-175.8	174.7	170.3	-177.9	0	110.2	T878 V879 L907 E910 F937 I938 D1006	T878-K894 WeakPolarHBondContact O-CA 3.48Å; V879-K894 HydrophobicContact CG2-CB 4.14Å; V879-K894 HydrophobicContact CG2-CD 4.19Å; V879-K894 HydrophobicContact CG2-CG 3.95Å; K894-L907 HydrophobicContact CB-CD1 4.28Å; K894-L907 HydrophobicContact CD-CD1 3.67Å; K894-L907 HydrophobicContact CG-CD1 3.65Å; K894-E910 WeakPolarHBondContact CE-OE1 3.4Å; K894-E910 IonicContact NZ-OE1 2.68Å; K894-E910 PolarHBondContact NZ-OE1 3.08Å; K894-E910 IonicContact NZ-OE2 3.62Å; K894-E910 PolarHBondContact NZ-OE2 3.05Å; K894-F937 WeakPolarHBondContact O-CA 3.35Å; K894-I938 HydrophobicContact CB-CD1 4.37Å; K894-I938 HydrophobicContact CB-CG1 3.87Å; K894-I938 PolarHBondContact N-O 3.02Å; K894-I938 PolarHBondContact O-N 2.7Å; K894-D1006 IonicContact NZ-OD1 3.49Å
895	M	80.6	Confident	66.4	Low	20 Å²	20	64.5 Å²	64.5	10%	0.099	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	132.7	-175.2	-169.1	-156.5	-61	0	0	111.5	G877 T878 Y880 K935 H936 F937	G877-M895 WeakPolarHBondContact CA-O 3.34Å; T878-M895 PolarHBondContact N-O 3.41Å; T878-M895 VanDerWaalsContact N-O 3.15Å; T878-M895 PolarHBondContact O-N 2.78Å; Y880-M895 HydrophobicContact CE2-CE 3.79Å; M895-K935 HydrophobicContact CG-CB 4.38Å; M895-K935 HydrophobicContact CG-CD 4.32Å; M895-K935 HydrophobicContact SD-CD 3.63Å; M895-K935 HydrophobicContact SD-CG 4.34Å; M895-K935 PolarHBondContact SD-NZ 3.11Å; M895-H936 WeakPolarHBondContact CA-O 3.42Å; M895-F937 HydrophobicContact CB-CD1 4.43Å; M895-F937 HydrophobicContact CE-CE1 3.64Å; M895-F937 HydrophobicContact CE-CZ 4.03Å; M895-F937 HydrophobicContact CG-CD1 4.16Å; M895-F937 HydrophobicContact CG-CE1 3.94Å; M895-F937 HydrophobicContact CG-CZ 4.14Å; M895-F937 HydrophobicContact SD-CE1 4.34Å; M895-F937 HydrophobicContact SD-CZ 4.35Å
896	E	77.2	Confident	67.3	Low	29 Å²	29	66.3 Å²	66.3	14%	0.136	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	134.9	171.3	-170.7	-179.5	-164	0	0	110.4	C905 R906 L907 K935 H936	E896-C905 PolarHBondContact OE2-SG 3.4Å; E896-C905 VanDerWaalsContact OE2-SG 3.35Å; E896-R906 PolarHBondContact OE1-N 3.42Å; E896-R906 WeakPolarHBondContact OE2-CA 3.31Å; E896-R906 PolarHBondContact OE2-N 3.06Å; E896-L907 HydrophobicContact CB-CB 4.18Å; E896-L907 HydrophobicContact CB-CD2 4.49Å; E896-L907 PolarHBondContact OE2-N 3.45Å; E896-K935 WeakPolarHBondContact O-CA 3.13Å; E896-H936 PolarHBondContact N-O 3.11Å; E896-H936 PolarHBondContact O-N 2.88Å
897	L	68.5	Low	68.8	Low	130 Å²	130	64.8 Å²	64.8	68%	0.681	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.8	128.1	174	-78	162.7	0	0	0	110.5	N899 K935	L897-N899 PolarHBondContact O-N 3.32Å; L897-N899 VanDerWaalsContact O-N 3.14Å; L897-K935 HydrophobicContact CD2-CG 3.91Å
898	H	63.3	Low	69.9	Low	35 Å²	35	62.6 Å²	62.6	16%	0.162	31%	0.305	C	S	.	.			trans	-76.6	101.7	-176.9	-171.4	101.3	0	0	0	111.6	E931 N934 H936	H898-E931 IonicContact CE1-OE1 3Å; H898-E931 IonicContact CG-OE1 2.63Å; H898-E931 IonicContact ND1-OE1 3.81Å; H898-E931 PolarHBondContact ND1-OE1 3.17Å; H898-E931 VanDerWaalsContact ND1-OE1 3.15Å; H898-N934 VanDerWaalsContact CB-C 3.45Å; H898-N934 HydrophobicContact CB-CB 4.02Å; H898-N934 WeakPolarHBondContact CB-O 3.1Å; H898-N934 PolarHBondContact N-O 2.82Å; H898-H936 AromaticContact CE1-NE2 3.72Å; H898-H936 AromaticContact ND1-CD2 3.49Å; H898-H936 PolarHBondContact ND1-CD2 3.4Å; H898-H936 AromaticContact ND1-NE2 2.93Å; H898-H936 PolarHBondContact ND1-NE2 2.89Å
899	N	55.5	Low	70.9	Confident	148 Å²	148	63 Å²	63	79%	0.791	30%	0.302	S	S	*	.			trans	-69.8	144.3	154.7	-92.8	-51.2	0	0	0	109.5	L897 D901	L897-N899 PolarHBondContact O-N 3.32Å; L897-N899 VanDerWaalsContact O-N 3.14Å; N899-D901 PolarHBondContact O-N 3.33Å
900	R	52	Low	71.9	Confident	249 Å²	249	60.1 Å²	60.1	94%	0.94	29%	0.288	S	S	*	.	S	Bend	trans	-57.7	19.3	-160.2	-56.6	179.9	177.7	174	-1.2	119
901	D	54.6	Low	72.4	Confident	72 Å²	72	54.5 Å²	54.5	39%	0.385	27%	0.267	S	S	.	.			trans	-143	102.5	-176.5	174.1	10.1	0	0	0	110.3	N899 S903 N904	N899-D901 PolarHBondContact O-N 3.33Å; D901-S903 PolarHBondContact O-N 2.9Å; D901-S903 WeakPolarHBondContact OD1-CB 3.35Å; D901-S903 PolarHBondContact OD1-N 2.88Å; D901-S903 PolarHBondContact OD1-OG 3.01Å; D901-S903 PolarHBondContact OD2-OG 3.47Å; D901-N904 PolarHBondContact O-N 3.15Å; D901-N904 PolarHBondContact OD2-ND2 3.25Å
902	I	50.9	Low	72.7	Confident	104 Å²	104	60.5 Å²	60.5	53%	0.533	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-29.2	177.4	-60.8	161.4	0	0	0	111.9	N904	I902-N904 PolarHBondContact O-N 3.3Å
903	S	50.5	Low	73	Confident	75 Å²	75	60.5 Å²	60.5	52%	0.524	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-19.2	179.8	82.5	0	0	0	0	113.3	D901 R909	D901-S903 PolarHBondContact O-N 2.9Å; D901-S903 WeakPolarHBondContact OD1-CB 3.35Å; D901-S903 PolarHBondContact OD1-N 2.88Å; D901-S903 PolarHBondContact OD1-OG 3.01Å; D901-S903 PolarHBondContact OD2-OG 3.47Å; S903-R909 PolarHBondContact O-NH2 2.76Å
904	N	57.9	Low	73.4	Confident	96 Å²	96	60.5 Å²	60.5	51%	0.513	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-12.4	-176.4	-81.9	-55.6	0	0	0	116.4	D901 I902 R906 R909	D901-N904 PolarHBondContact O-N 3.15Å; D901-N904 PolarHBondContact OD2-ND2 3.25Å; I902-N904 PolarHBondContact O-N 3.3Å; N904-R906 PolarHBondContact O-N 2.7Å; N904-R909 PolarHBondContact OD1-NH2 2.81Å
905	C	68	Low	73.7	Confident	9 Å²	9	67.2 Å²	67.2	6%	0.061	32%	0.317	C	S	.	.			trans	-52.9	127.4	167	175.4	0	0	0	0	111.1	E896 A908 H936	E896-C905 PolarHBondContact OE2-SG 3.4Å; E896-C905 VanDerWaalsContact OE2-SG 3.35Å; C905-A908 HydrophobicContact CB-CB 3.88Å; C905-A908 VanDerWaalsContact SG-CB 3.57Å; C905-A908 PolarHBondContact SG-N 3.33Å; C905-A908 VanDerWaalsContact SG-N 3.35Å; C905-H936 PolarHBondContact SG-CD2 3.46Å
906	R	74.2	Confident	74.2	Confident	60 Å²	60	70.5 Å²	70.5	23%	0.226	33%	0.33	C	S	.	.	S	Bend	trans	-79.1	-40.5	-179.7	-68	178.4	174.6	-124.5	7.1	111.2	Y876 E896 N904 A908 R909 E910	Y876-R906 VanDerWaalsContact CE1-NH2 3.25Å; Y876-R906 VanDerWaalsContact CZ-NH1 3.31Å; E896-R906 PolarHBondContact OE1-N 3.42Å; E896-R906 WeakPolarHBondContact OE2-CA 3.31Å; E896-R906 PolarHBondContact OE2-N 3.06Å; N904-R906 PolarHBondContact O-N 2.7Å; R906-A908 PolarHBondContact O-N 2.87Å; R906-R909 CarbonylContact O-C 3.52Å; R906-R909 WeakPolarHBondContact O-CA 3.13Å; R906-R909 VanDerWaalsContact O-CB 3.29Å; R906-R909 WeakPolarHBondContact O-CB 3.2Å; R906-R909 PolarHBondContact O-N 3.06Å; R906-E910 PolarHBondContact O-N 3.31Å
907	L	80.4	Confident	75	Confident	1 Å²	1	69.1 Å²	69.1	1%	0.005	32%	0.324	C	S	.	.	H	α-helix	trans	-58.8	-40.1	177.1	-141.7	72.8	0	0	0	110.9	K894 E896 R909 E910 V911 H936 I938	K894-L907 HydrophobicContact CB-CD1 4.28Å; K894-L907 HydrophobicContact CD-CD1 3.67Å; K894-L907 HydrophobicContact CG-CD1 3.65Å; E896-L907 HydrophobicContact CB-CB 4.18Å; E896-L907 HydrophobicContact CB-CD2 4.49Å; E896-L907 PolarHBondContact OE2-N 3.45Å; L907-R909 PolarHBondContact O-N 3.43Å; L907-E910 PolarHBondContact O-N 3.01Å; L907-E910 VanDerWaalsContact O-N 3.13Å; L907-V911 WeakPolarHBondContact O-CB 3.35Å; L907-V911 VanDerWaalsContact O-CG2 3.26Å; L907-V911 WeakPolarHBondContact O-CG2 3.17Å; L907-V911 PolarHBondContact O-N 3.21Å; L907-H936 HydrophobicContact CB-CB 4.15Å; L907-H936 HydrophobicContact CD2-CB 3.74Å; L907-H936 VanDerWaalsContact CD2-O 3.32Å; L907-H936 WeakPolarHBondContact CD2-O 3.36Å; L907-I938 HydrophobicContact CD1-CD1 3.87Å; L907-I938 HydrophobicContact CD1-CG1 4.04Å; L907-I938 HydrophobicContact CD2-CB 4.45Å; L907-I938 HydrophobicContact CD2-CG1 4.1Å; L907-I938 HydrophobicContact CD2-CG2 4.03Å; L907-I938 HydrophobicContact CG-CD1 4.1Å; L907-I938 HydrophobicContact CG-CG1 4.08Å; L907-I938 HydrophobicContact CG-CG2 4.07Å
908	A	80.3	Confident	76.1	Confident	11 Å²	11	66.1 Å²	66.1	9%	0.091	31%	0.307	C	S	.	.	H	α-helix	trans	-69.2	-7.5	173.6	0	0	0	0	0	114.4	C905 R906 K912	C905-A908 HydrophobicContact CB-CB 3.88Å; C905-A908 VanDerWaalsContact SG-CB 3.57Å; C905-A908 PolarHBondContact SG-N 3.33Å; C905-A908 VanDerWaalsContact SG-N 3.35Å; R906-A908 PolarHBondContact O-N 2.87Å; A908-K912 WeakPolarHBondContact O-CD 3.49Å; A908-K912 WeakPolarHBondContact O-CE 3.32Å; A908-K912 WeakPolarHBondContact O-CG 3.49Å; A908-K912 PolarHBondContact O-NZ 3.16Å
909	R	83	Confident	77.1	Confident	74 Å²	74	68.3 Å²	68.3	28%	0.279	34%	0.339	S	S	.	.	H	α-helix	trans	-93.7	-42.3	166	-62.5	171.8	-178	154.6	0.2	110.4	S903 N904 R906 L907 V911 K912 V913	S903-R909 PolarHBondContact O-NH2 2.76Å; N904-R909 PolarHBondContact OD1-NH2 2.81Å; R906-R909 CarbonylContact O-C 3.52Å; R906-R909 WeakPolarHBondContact O-CA 3.13Å; R906-R909 VanDerWaalsContact O-CB 3.29Å; R906-R909 WeakPolarHBondContact O-CB 3.2Å; R906-R909 PolarHBondContact O-N 3.06Å; L907-R909 PolarHBondContact O-N 3.43Å; R909-V911 PolarHBondContact O-N 2.83Å; R909-K912 WeakPolarHBondContact O-CB 3.43Å; R909-K912 PolarHBondContact O-N 2.71Å; R909-V913 PolarHBondContact O-N 3.02Å
910	E	89.6	Confident	78.8	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-56.8	-49.3	175.7	-66.8	-179.6	-120.8	0	0	111.9	K894 R906 L907 K912 V913 Y914 F1007	K894-E910 WeakPolarHBondContact CE-OE1 3.4Å; K894-E910 IonicContact NZ-OE1 2.68Å; K894-E910 PolarHBondContact NZ-OE1 3.08Å; K894-E910 IonicContact NZ-OE2 3.62Å; K894-E910 PolarHBondContact NZ-OE2 3.05Å; R906-E910 PolarHBondContact O-N 3.31Å; L907-E910 PolarHBondContact O-N 3.01Å; L907-E910 VanDerWaalsContact O-N 3.13Å; E910-K912 PolarHBondContact O-N 2.96Å; E910-K912 VanDerWaalsContact O-N 3.15Å; E910-V913 CarbonylContact O-C 3.58Å; E910-V913 WeakPolarHBondContact O-CA 3.12Å; E910-V913 WeakPolarHBondContact O-CB 3.37Å; E910-V913 PolarHBondContact O-N 3.06Å; E910-Y914 HydrophobicContact CB-CD2 4.13Å; E910-Y914 HydrophobicContact CB-CE2 4.08Å; E910-Y914 VanDerWaalsContact O-CD2 3.31Å; E910-Y914 WeakPolarHBondContact O-CD2 3.29Å; E910-Y914 PolarHBondContact O-N 3.3Å; E910-F1007 HydrophobicContact CB-CB 4.36Å; E910-F1007 HydrophobicContact CG-CB 4.01Å
911	V	89.5	Confident	80.7	Confident	6 Å²	6	55.2 Å²	55.2	4%	0.036	29%	0.285	C	S	.	.	H	α-helix	trans	-41.1	-47.9	168.1	156.3	0	0	0	0	112.9	L907 R909 V913 Y914 R915 E929 I938	L907-V911 WeakPolarHBondContact O-CB 3.35Å; L907-V911 VanDerWaalsContact O-CG2 3.26Å; L907-V911 WeakPolarHBondContact O-CG2 3.17Å; L907-V911 PolarHBondContact O-N 3.21Å; R909-V911 PolarHBondContact O-N 2.83Å; V911-V913 PolarHBondContact O-N 2.97Å; V911-Y914 PolarHBondContact O-N 3.43Å; V911-R915 HydrophobicContact CG1-CG 4.42Å; V911-R915 WeakPolarHBondContact O-CB 3.45Å; V911-R915 VanDerWaalsContact O-CG 3.29Å; V911-R915 WeakPolarHBondContact O-CG 3.41Å; V911-R915 PolarHBondContact O-N 2.94Å; V911-E929 VanDerWaalsContact CG1-CD 3.45Å; V911-E929 WeakPolarHBondContact CG1-OE1 3.49Å; V911-E929 WeakPolarHBondContact CG1-OE2 3.24Å; V911-E929 HydrophobicContact CG2-CG 3.72Å; V911-E929 WeakPolarHBondContact CG2-OE2 3.2Å; V911-I938 HydrophobicContact CG2-CG2 3.6Å
912	K	91.3	Very high	82.7	Confident	126 Å²	126	52.1 Å²	52.1	55%	0.548	27%	0.268	S	S	.	.	H	α-helix	trans	-74.5	-16	-174.9	-65	169.8	-176.4	130.4	0	112.3	A908 R909 E910 K916	A908-K912 WeakPolarHBondContact O-CD 3.49Å; A908-K912 WeakPolarHBondContact O-CE 3.32Å; A908-K912 WeakPolarHBondContact O-CG 3.49Å; A908-K912 PolarHBondContact O-NZ 3.16Å; R909-K912 WeakPolarHBondContact O-CB 3.43Å; R909-K912 PolarHBondContact O-N 2.71Å; E910-K912 PolarHBondContact O-N 2.96Å; E910-K912 VanDerWaalsContact O-N 3.15Å; K912-K916 WeakPolarHBondContact O-CG 3.46Å
913	V	93.2	Very high	84.8	Confident	6 Å²	6	47.5 Å²	47.5	4%	0.036	24%	0.244	C	C	.	.	H	α-helix	trans	-88	-53.2	168.2	-173.2	0	0	0	0	109.7	R909 E910 V911 R915 K916 M917 L976 I981 F1007 C1010	R909-V913 PolarHBondContact O-N 3.02Å; E910-V913 CarbonylContact O-C 3.58Å; E910-V913 WeakPolarHBondContact O-CA 3.12Å; E910-V913 WeakPolarHBondContact O-CB 3.37Å; E910-V913 PolarHBondContact O-N 3.06Å; V911-V913 PolarHBondContact O-N 2.97Å; V913-R915 PolarHBondContact O-N 3.2Å; V913-K916 CarbonylContact O-C 3.36Å; V913-K916 WeakPolarHBondContact O-CA 3.31Å; V913-K916 WeakPolarHBondContact O-CB 3.39Å; V913-K916 PolarHBondContact O-N 2.9Å; V913-M917 HydrophobicContact CG1-CG 4Å; V913-M917 WeakPolarHBondContact O-CG 3.34Å; V913-M917 PolarHBondContact O-N 3.49Å; V913-L976 HydrophobicContact CG1-CD1 3.6Å; V913-I981 HydrophobicContact CG1-CD1 4.45Å; V913-I981 HydrophobicContact CG2-CD1 4.23Å; V913-F1007 HydrophobicContact CB-CB 3.89Å; V913-F1007 HydrophobicContact CB-CD1 4.38Å; V913-F1007 HydrophobicContact CB-CD2 3.99Å; V913-F1007 HydrophobicContact CB-CG 3.81Å; V913-F1007 HydrophobicContact CG1-CB 4.18Å; V913-F1007 HydrophobicContact CG1-CD1 3.74Å; V913-F1007 HydrophobicContact CG1-CD2 3.93Å; V913-F1007 HydrophobicContact CG1-CE1 4.1Å; V913-F1007 HydrophobicContact CG1-CE2 4.29Å; V913-F1007 HydrophobicContact CG1-CG 3.65Å; V913-F1007 HydrophobicContact CG1-CZ 4.39Å; V913-F1007 HydrophobicContact CG2-CB 3.87Å; V913-F1007 HydrophobicContact CG2-CG 4.29Å; V913-C1010 HydrophobicContact CG2-CB 4.21Å
914	Y	94	Very high	86.9	Confident	1 Å²	1	43.9 Å²	43.9	0%	0.004	22%	0.219	C	C	.	.	H	α-helix	trans	-49.3	-53	176.9	-80.6	-68.2	0	0	0	112.3	E910 V911 K916 M917 Q918 P924 I938 I940 F1007	E910-Y914 HydrophobicContact CB-CD2 4.13Å; E910-Y914 HydrophobicContact CB-CE2 4.08Å; E910-Y914 VanDerWaalsContact O-CD2 3.31Å; E910-Y914 WeakPolarHBondContact O-CD2 3.29Å; E910-Y914 PolarHBondContact O-N 3.3Å; V911-Y914 PolarHBondContact O-N 3.43Å; Y914-K916 VanDerWaalsContact C-N 3.25Å; Y914-K916 PolarHBondContact O-N 3.39Å; Y914-M917 CarbonylContact O-C 3.58Å; Y914-M917 PolarHBondContact O-N 3.29Å; Y914-Q918 WeakPolarHBondContact O-CG 3.47Å; Y914-Q918 PolarHBondContact O-N 2.88Å; Y914-Q918 PolarHBondContact O-NE2 3.17Å; Y914-P924 HydrophobicContact CE1-CB 3.96Å; Y914-P924 HydrophobicContact CE1-CG 4.06Å; Y914-I938 HydrophobicContact CD2-CD1 4.3Å; Y914-I938 HydrophobicContact CE2-CD1 3.92Å; Y914-I940 HydrophobicContact CE1-CG2 4.23Å; Y914-I940 HydrophobicContact CE2-CG2 4.48Å; Y914-I940 WeakPolarHBondContact OH-CD1 3.29Å; Y914-F1007 HydrophobicContact CD1-CE2 4.02Å; Y914-F1007 HydrophobicContact CD2-CD2 4.04Å; Y914-F1007 HydrophobicContact CD2-CE2 4.32Å; Y914-F1007 HydrophobicContact CE1-CD2 4.3Å; Y914-F1007 AromaticContact CE1-CE2 3.68Å; Y914-F1007 HydrophobicContact CE1-CE2 3.68Å; Y914-F1007 AromaticContact CE2-CD2 3.77Å; Y914-F1007 HydrophobicContact CE2-CD2 3.77Å; Y914-F1007 AromaticContact CE2-CE2 4Å; Y914-F1007 HydrophobicContact CE2-CE2 4Å; Y914-F1007 HydrophobicContact CG-CD2 4.39Å; Y914-F1007 HydrophobicContact CG-CE2 4.31Å; Y914-F1007 AromaticContact CZ-CD2 3.9Å; Y914-F1007 AromaticContact CZ-CE2 3.65Å
915	R	92.9	Very high	88.5	Confident	159 Å²	159	42.5 Å²	42.5	60%	0.6	21%	0.211	S	C	*	.	H	α-helix	trans	-59.9	-30.4	176.7	-67.7	-178.2	-172.2	-162.2	11.5	113.5	V911 V913 L926 E929	V911-R915 HydrophobicContact CG1-CG 4.42Å; V911-R915 WeakPolarHBondContact O-CB 3.45Å; V911-R915 VanDerWaalsContact O-CG 3.29Å; V911-R915 WeakPolarHBondContact O-CG 3.41Å; V911-R915 PolarHBondContact O-N 2.94Å; V913-R915 PolarHBondContact O-N 3.2Å; R915-L926 HydrophobicContact CG-CD2 3.81Å; R915-E929 IonicContact CZ-OE1 2.82Å; R915-E929 IonicContact CZ-OE2 3.71Å; R915-E929 VanDerWaalsContact CZ-OE2 3.24Å; R915-E929 IonicContact NE-OE2 2.66Å; R915-E929 PolarHBondContact NE-OE2 2.99Å; R915-E929 IonicContact NH2-OE1 3.99Å; R915-E929 PolarHBondContact NH2-OE1 2.87Å; R915-E929 IonicContact NH2-OE2 3.44Å; R915-E929 PolarHBondContact NH2-OE2 3.44Å
916	K	92.3	Very high	89.5	Confident	89 Å²	89	43.5 Å²	43.5	39%	0.387	22%	0.216	S	C	.	.	H	α-helix	trans	-78.1	-24.1	176.2	-95.8	-174.3	157.5	-157.5	0	113.8	K912 V913 Y914 K979 I981	K912-K916 WeakPolarHBondContact O-CG 3.46Å; V913-K916 CarbonylContact O-C 3.36Å; V913-K916 WeakPolarHBondContact O-CA 3.31Å; V913-K916 WeakPolarHBondContact O-CB 3.39Å; V913-K916 PolarHBondContact O-N 2.9Å; Y914-K916 VanDerWaalsContact C-N 3.25Å; Y914-K916 PolarHBondContact O-N 3.39Å; K916-K979 HydrophobicContact CD-CB 4.45Å; K916-K979 PolarHBondContact NZ-O 2.55Å; K916-K979 WeakPolarHBondContact O-CE 3.35Å; K916-K979 PolarHBondContact O-NZ 2.88Å; K916-I981 HydrophobicContact CD-CD1 3.78Å
917	M	94.1	Very high	89.9	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-106.5	-0	-175.1	-56.5	-47	-65.7	0	0	113.7	V913 Y914 G919 N920 F923 D975 L976 K979	V913-M917 HydrophobicContact CG1-CG 4Å; V913-M917 WeakPolarHBondContact O-CG 3.34Å; V913-M917 PolarHBondContact O-N 3.49Å; Y914-M917 CarbonylContact O-C 3.58Å; Y914-M917 PolarHBondContact O-N 3.29Å; M917-G919 PolarHBondContact O-N 3.38Å; M917-N920 VanDerWaalsContact C-ND2 3.33Å; M917-N920 HydrophobicContact CE-CB 4.26Å; M917-N920 VanDerWaalsContact O-CB 3.25Å; M917-N920 WeakPolarHBondContact O-CB 3.49Å; M917-N920 PolarHBondContact O-N 3.18Å; M917-N920 PolarHBondContact O-ND2 3.44Å; M917-F923 HydrophobicContact CB-CB 3.83Å; M917-F923 HydrophobicContact CB-CD1 3.56Å; M917-F923 HydrophobicContact CB-CD2 4.04Å; M917-F923 HydrophobicContact CB-CE1 4.15Å; M917-F923 HydrophobicContact CB-CG 3.52Å; M917-F923 HydrophobicContact CE-CD1 4.49Å; M917-F923 HydrophobicContact CE-CD2 3.88Å; M917-F923 HydrophobicContact CE-CE1 4.08Å; M917-F923 HydrophobicContact CE-CE2 3.38Å; M917-F923 HydrophobicContact CE-CG 4.42Å; M917-F923 HydrophobicContact CE-CZ 3.5Å; M917-F923 HydrophobicContact CG-CD1 3.61Å; M917-F923 HydrophobicContact CG-CD2 4.44Å; M917-F923 HydrophobicContact CG-CE1 3.69Å; M917-F923 HydrophobicContact CG-CE2 4.48Å; M917-F923 HydrophobicContact CG-CG 4.02Å; M917-F923 HydrophobicContact CG-CZ 4.14Å; M917-F923 HydrophobicContact SD-CZ 4.48Å; M917-D975 HydrophobicContact CE-CB 4.09Å; M917-L976 HydrophobicContact SD-CD1 4.43Å; M917-K979 HydrophobicContact CE-CG 4.25Å; M917-K979 HydrophobicContact SD-CB 4.25Å; M917-K979 HydrophobicContact SD-CD 4.49Å; M917-K979 HydrophobicContact SD-CG 3.48Å; M917-K979 WeakPolarHBondContact SD-CG 3.23Å
918	Q	91.3	Very high	89.8	Confident	68 Å²	68	44.6 Å²	44.6	32%	0.318	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	141.1	172.9	-64.8	-50.5	-78.7	0	0	110.9	Y914 N920 P924	Y914-Q918 WeakPolarHBondContact O-CG 3.47Å; Y914-Q918 PolarHBondContact O-N 2.88Å; Y914-Q918 PolarHBondContact O-NE2 3.17Å; Q918-N920 VanDerWaalsContact C-N 3.28Å; Q918-N920 PolarHBondContact O-N 2.85Å; Q918-N920 PolarHBondContact O-ND2 3.37Å; Q918-P924 PolarHBondContact NE2-O 3.34Å
919	G	84.6	Confident	89.8	Confident	81 Å²	81	47 Å²	47	84%	0.835	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	77	0	-172.1	0	0	0	0	0	115.7	M917	M917-G919 PolarHBondContact O-N 3.38Å
920	N	91.1	Very high	89.3	Confident	42 Å²	42	48.5 Å²	48.5	23%	0.225	24%	0.238	C	C	.	.			trans	-95.5	130.7	171.8	-60.5	-108.9	0	0	0	108.5	M917 Q918 H922 F923	M917-N920 VanDerWaalsContact C-ND2 3.33Å; M917-N920 HydrophobicContact CE-CB 4.26Å; M917-N920 VanDerWaalsContact O-CB 3.25Å; M917-N920 WeakPolarHBondContact O-CB 3.49Å; M917-N920 PolarHBondContact O-N 3.18Å; M917-N920 PolarHBondContact O-ND2 3.44Å; Q918-N920 VanDerWaalsContact C-N 3.28Å; Q918-N920 PolarHBondContact O-N 2.85Å; Q918-N920 PolarHBondContact O-ND2 3.37Å; N920-H922 PolarHBondContact O-N 3.06Å; N920-F923 HydrophobicContact CB-CD2 3.65Å; N920-F923 HydrophobicContact CB-CE2 4.28Å; N920-F923 HydrophobicContact CB-CG 4.48Å; N920-F923 PolarHBondContact O-N 2.95Å
921	E	91.4	Very high	88.5	Confident	79 Å²	79	52.4 Å²	52.4	37%	0.369	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-40.7	-166.6	-178.8	179.8	172.7	0	0	114.9	F923 T1001 Y1003 R1135	E921-F923 VanDerWaalsContact C-N 3.26Å; E921-F923 PolarHBondContact O-N 2.94Å; E921-T1001 HydrophobicContact CG-CG2 3.97Å; E921-Y1003 WeakPolarHBondContact O-CE1 3.21Å; E921-Y1003 PolarHBondContact O-OH 3.48Å; E921-Y1003 VanDerWaalsContact O-OH 3.12Å; E921-R1135 IonicContact OE1-CZ 2.69Å; E921-R1135 IonicContact OE1-NH1 2.63Å; E921-R1135 PolarHBondContact OE1-NH1 3.15Å; E921-R1135 IonicContact OE1-NH2 1.79Å; E921-R1135 IonicContact OE2-CZ 3.41Å; E921-R1135 IonicContact OE2-NH1 2.73Å; E921-R1135 PolarHBondContact OE2-NH1 2.86Å; E921-R1135 IonicContact OE2-NH2 3.86Å; E921-R1135 PolarHBondContact OE2-NH2 3.38Å
922	H	95.7	Very high	87.4	Confident	7 Å²	7	53.9 Å²	53.9	3%	0.032	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	16.5	-173.1	-57.7	-61.8	0	0	0	114	N920 Q968 T972 I1002 Y1003 M1004	N920-H922 PolarHBondContact O-N 3.06Å; H922-Q968 PolarHBondContact CE1-OE1 3.44Å; H922-Q968 PolarHBondContact ND1-OE1 3.42Å; H922-T972 HydrophobicContact CB-CG2 3.79Å; H922-T972 WeakPolarHBondContact CB-OG1 3.28Å; H922-I1002 WeakPolarHBondContact CB-O 3.41Å; H922-I1002 PolarHBondContact ND1-O 3.2Å; H922-Y1003 WeakPolarHBondContact O-CA 3.34Å; H922-M1004 PolarHBondContact O-N 2.88Å
923	F	96.1	Very high	86.1	Confident	7 Å²	7	51.3 Å²	51.3	3%	0.031	26%	0.256	C	S	.	.	S	Bend	trans	-124.4	127.4	-178	-68.2	-91.9	0	0	0	109.7	M917 N920 E921 T972 L976 M1004 F1007	M917-F923 HydrophobicContact CB-CB 3.83Å; M917-F923 HydrophobicContact CB-CD1 3.56Å; M917-F923 HydrophobicContact CB-CD2 4.04Å; M917-F923 HydrophobicContact CB-CE1 4.15Å; M917-F923 HydrophobicContact CB-CG 3.52Å; M917-F923 HydrophobicContact CE-CD1 4.49Å; M917-F923 HydrophobicContact CE-CD2 3.88Å; M917-F923 HydrophobicContact CE-CE1 4.08Å; M917-F923 HydrophobicContact CE-CE2 3.38Å; M917-F923 HydrophobicContact CE-CG 4.42Å; M917-F923 HydrophobicContact CE-CZ 3.5Å; M917-F923 HydrophobicContact CG-CD1 3.61Å; M917-F923 HydrophobicContact CG-CD2 4.44Å; M917-F923 HydrophobicContact CG-CE1 3.69Å; M917-F923 HydrophobicContact CG-CE2 4.48Å; M917-F923 HydrophobicContact CG-CG 4.02Å; M917-F923 HydrophobicContact CG-CZ 4.14Å; M917-F923 HydrophobicContact SD-CZ 4.48Å; N920-F923 HydrophobicContact CB-CD2 3.65Å; N920-F923 HydrophobicContact CB-CE2 4.28Å; N920-F923 HydrophobicContact CB-CG 4.48Å; N920-F923 PolarHBondContact O-N 2.95Å; E921-F923 VanDerWaalsContact C-N 3.26Å; E921-F923 PolarHBondContact O-N 2.94Å; F923-T972 HydrophobicContact CD2-CG2 4.38Å; F923-T972 HydrophobicContact CE1-CG2 4.15Å; F923-T972 HydrophobicContact CE2-CG2 3.57Å; F923-T972 HydrophobicContact CZ-CG2 3.42Å; F923-T972 VanDerWaalsContact CZ-CG2 3.42Å; F923-L976 HydrophobicContact CE1-CD1 4.48Å; F923-L976 HydrophobicContact CZ-CB 4.27Å; F923-M1004 HydrophobicContact CE1-SD 4.2Å; F923-M1004 HydrophobicContact CZ-SD 4.43Å; F923-F1007 HydrophobicContact CD1-CE1 4.16Å; F923-F1007 HydrophobicContact CD1-CE2 4.32Å; F923-F1007 AromaticContact CD1-CZ 3.52Å; F923-F1007 HydrophobicContact CD1-CZ 3.52Å; F923-F1007 AromaticContact CE1-CE1 3.82Å; F923-F1007 HydrophobicContact CE1-CE1 3.82Å; F923-F1007 AromaticContact CE1-CZ 3.67Å; F923-F1007 HydrophobicContact CE1-CZ 3.67Å
924	P	93.9	Very high	84.9	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.283	C	S	.	.			trans	-59	142.1	179.7	-23.4	32	0	0	0	111.7	Y914 Q918 I940 E941 L943 Y1003 M1004	Y914-P924 HydrophobicContact CE1-CB 3.96Å; Y914-P924 HydrophobicContact CE1-CG 4.06Å; Q918-P924 PolarHBondContact NE2-O 3.34Å; P924-I940 HydrophobicContact CB-CB 4.47Å; P924-E941 HydrophobicContact CB-CB 4.2Å; P924-L943 HydrophobicContact CB-CD2 4.48Å; P924-L943 HydrophobicContact CG-CD1 3.89Å; P924-L943 HydrophobicContact CG-CD2 4.17Å; P924-L943 HydrophobicContact CG-CG 4.4Å; P924-Y1003 HydrophobicContact CG-CD1 4.09Å; P924-M1004 WeakPolarHBondContact CD-O 3.31Å
925	L	91.7	Very high	83.8	Confident	67 Å²	67	59.9 Å²	59.9	35%	0.351	30%	0.298	S	S	.	.			trans	-62.1	140.8	171.4	-63.2	174.7	0	0	0	110	Y927 I940 E941	L925-Y927 HydrophobicContact CB-CD1 4.32Å; L925-Y927 HydrophobicContact CB-CE1 3.8Å; L925-Y927 HydrophobicContact CD1-CE1 4Å; L925-I940 CarbonylContact O-C 3.51Å; L925-I940 WeakPolarHBondContact O-CA 3.45Å; L925-I940 WeakPolarHBondContact O-CB 3.39Å; L925-E941 HydrophobicContact CB-CB 4.29Å; L925-E941 PolarHBondContact O-N 3.29Å
926	L	89.8	Confident	83.1	Confident	30 Å²	30	53.1 Å²	53.1	16%	0.157	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	100.6	173.3	177.2	69.3	0	0	0	108.4	R915 W928 I938 I940	R915-L926 HydrophobicContact CG-CD2 3.81Å; L926-W928 WeakPolarHBondContact CD1-O 3.23Å; L926-I938 HydrophobicContact CD1-CB 3.98Å; L926-I938 HydrophobicContact CD1-CG2 4.18Å; L926-I940 HydrophobicContact CD1-CG2 3.79Å
927	Y	82.4	Confident	82.6	Confident	53 Å²	53	49.6 Å²	49.6	21%	0.208	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	-37.7	-179.5	-55.6	-53.5	0	0	0	112.1	A857 V891 L925 V939 E941	A857-Y927 HydrophobicContact CB-CD1 4.38Å; A857-Y927 HydrophobicContact CB-CG 4.42Å; V891-Y927 HydrophobicContact CB-CD2 4.44Å; V891-Y927 HydrophobicContact CB-CE2 4.48Å; V891-Y927 HydrophobicContact CG1-CD2 3.85Å; V891-Y927 HydrophobicContact CG1-CE2 3.75Å; L925-Y927 HydrophobicContact CB-CD1 4.32Å; L925-Y927 HydrophobicContact CB-CE1 3.8Å; L925-Y927 HydrophobicContact CD1-CE1 4Å; Y927-V939 HydrophobicContact CD2-CG1 4.18Å; Y927-V939 PolarHBondContact N-O 2.94Å; Y927-E941 HydrophobicContact CE2-CB 4.26Å
928	W	77	Confident	82.2	Confident	31 Å²	31	49.7 Å²	49.7	12%	0.117	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	157.2	-175.3	-166.9	74.8	0	0	0	113.5	K859 L926 K930 I932 F937 I938 V939	K859-W928 HydrophobicContact CB-CZ2 4.44Å; K859-W928 HydrophobicContact CD-CZ2 4.46Å; K859-W928 HydrophobicContact CG-CH2 4.25Å; K859-W928 HydrophobicContact CG-CZ2 3.46Å; K859-W928 VanDerWaalsContact CG-CZ2 3.46Å; L926-W928 WeakPolarHBondContact CD1-O 3.23Å; W928-K930 HydrophobicContact CD2-CB 4.39Å; W928-K930 HydrophobicContact CE3-CB 4.2Å; W928-K930 HydrophobicContact CH2-CB 3.24Å; W928-K930 HydrophobicContact CH2-CG 3.93Å; W928-K930 HydrophobicContact CZ2-CB 3.37Å; W928-K930 HydrophobicContact CZ2-CD 4.46Å; W928-K930 HydrophobicContact CZ2-CG 3.82Å; W928-K930 HydrophobicContact CZ3-CB 3.66Å; W928-I932 HydrophobicContact CH2-CD1 4.01Å; W928-F937 HydrophobicContact CZ3-CB 3.95Å; W928-I938 CarbonylContact O-C 3.49Å; W928-I938 WeakPolarHBondContact O-CA 3.43Å; W928-V939 HydrophobicContact CB-CB 3.89Å; W928-V939 HydrophobicContact CB-CG2 3.89Å; W928-V939 HydrophobicContact CD2-CG2 4.49Å; W928-V939 HydrophobicContact CE3-CG2 3.84Å; W928-V939 PolarHBondContact N-O 3.26Å; W928-V939 PolarHBondContact O-N 3.03Å
929	E	80.7	Confident	82	Confident	60 Å²	60	46.5 Å²	46.5	28%	0.28	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	134.9	176.7	176.7	-165.8	146.8	0	0	109.2	V911 R915 F937 I938	V911-E929 VanDerWaalsContact CG1-CD 3.45Å; V911-E929 WeakPolarHBondContact CG1-OE1 3.49Å; V911-E929 WeakPolarHBondContact CG1-OE2 3.24Å; V911-E929 HydrophobicContact CG2-CG 3.72Å; V911-E929 WeakPolarHBondContact CG2-OE2 3.2Å; R915-E929 IonicContact CZ-OE1 2.82Å; R915-E929 IonicContact CZ-OE2 3.71Å; R915-E929 VanDerWaalsContact CZ-OE2 3.24Å; R915-E929 IonicContact NE-OE2 2.66Å; R915-E929 PolarHBondContact NE-OE2 2.99Å; R915-E929 IonicContact NH2-OE1 3.99Å; R915-E929 PolarHBondContact NH2-OE1 2.87Å; R915-E929 IonicContact NH2-OE2 3.44Å; R915-E929 PolarHBondContact NH2-OE2 3.44Å; E929-F937 WeakPolarHBondContact CA-O 3.18Å; E929-I938 HydrophobicContact CB-CG2 4.25Å; E929-I938 HydrophobicContact CG-CG2 4.1Å
930	K	73	Confident	82.2	Confident	107 Å²	107	43.2 Å²	43.2	47%	0.465	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	152.8	171.6	-159.3	65.1	178.5	-177.4	0	112.5	W928 I932 F937	W928-K930 HydrophobicContact CD2-CB 4.39Å; W928-K930 HydrophobicContact CE3-CB 4.2Å; W928-K930 HydrophobicContact CH2-CB 3.24Å; W928-K930 HydrophobicContact CH2-CG 3.93Å; W928-K930 HydrophobicContact CZ2-CB 3.37Å; W928-K930 HydrophobicContact CZ2-CD 4.46Å; W928-K930 HydrophobicContact CZ2-CG 3.82Å; W928-K930 HydrophobicContact CZ3-CB 3.66Å; K930-I932 HydrophobicContact CB-CG1 4.39Å; K930-I932 HydrophobicContact CG-CD1 4.21Å; K930-I932 HydrophobicContact CG-CG1 3.83Å; K930-F937 PolarHBondContact N-O 2.57Å; K930-F937 PolarHBondContact O-N 3.11Å
931	E	71.9	Confident	82.2	Confident	82 Å²	82	41.8 Å²	41.8	38%	0.383	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	125.8	161.5	-173.6	168.6	-167.8	0	0	109.2	H898 K935 H936	H898-E931 IonicContact CE1-OE1 3Å; H898-E931 IonicContact CG-OE1 2.63Å; H898-E931 IonicContact ND1-OE1 3.81Å; H898-E931 PolarHBondContact ND1-OE1 3.17Å; H898-E931 VanDerWaalsContact ND1-OE1 3.15Å; E931-K935 WeakPolarHBondContact CA-O 3.17Å; E931-H936 IonicContact OE1-CE1 2.7Å; E931-H936 IonicContact OE1-NE2 3.59Å; E931-H936 PolarHBondContact OE1-NE2 2.72Å; E931-H936 IonicContact OE2-CE1 2.7Å; E931-H936 PolarHBondContact OE2-CE1 2.78Å; E931-H936 IonicContact OE2-NE2 3.05Å
932	I	66.1	Low	82.2	Confident	36 Å²	36	39.4 Å²	39.4	19%	0.185	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	125.9	178.3	-62.4	176.9	0	0	0	107.3	K54 W928 K930 N934 K935 F937	K54-I932 WeakPolarHBondContact O-CG2 3.35Å; W928-I932 HydrophobicContact CH2-CD1 4.01Å; K930-I932 HydrophobicContact CB-CG1 4.39Å; K930-I932 HydrophobicContact CG-CD1 4.21Å; K930-I932 HydrophobicContact CG-CG1 3.83Å; I932-N934 PolarHBondContact O-N 3.07Å; I932-K935 PolarHBondContact N-O 2.87Å; I932-K935 WeakPolarHBondContact O-CB 3.03Å; I932-K935 PolarHBondContact O-N 2.97Å; I932-F937 HydrophobicContact CB-CD2 4.43Å; I932-F937 HydrophobicContact CB-CE2 4.06Å
933	D	65.7	Low	82.1	Confident	73 Å²	73	40.4 Å²	40.4	39%	0.39	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.4	52.8	172.8	-67.3	10.9	0	0	0	115.1	K55 K935	K55-D933 WeakPolarHBondContact CE-OD2 3.47Å; K55-D933 WeakPolarHBondContact CG-OD2 3.35Å; D933-K935 VanDerWaalsContact C-N 3.26Å; D933-K935 PolarHBondContact O-N 3.21Å
934	N	67.8	Low	81.9	Confident	113 Å²	113	41.1 Å²	41.1	60%	0.604	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.7	35.4	-177	-55.6	-36.4	0	0	0	113.4	H898 I932	H898-N934 VanDerWaalsContact CB-C 3.45Å; H898-N934 HydrophobicContact CB-CB 4.02Å; H898-N934 WeakPolarHBondContact CB-O 3.1Å; H898-N934 PolarHBondContact N-O 2.82Å; I932-N934 PolarHBondContact O-N 3.07Å
935	K	70.8	Confident	81.8	Confident	74 Å²	74	43.7 Å²	43.7	32%	0.322	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	133.8	166.5	-69.6	173.2	165.4	-156.7	0	109.2	M895 E896 L897 E931 I932 D933 F937	M895-K935 HydrophobicContact CG-CB 4.38Å; M895-K935 HydrophobicContact CG-CD 4.32Å; M895-K935 HydrophobicContact SD-CD 3.63Å; M895-K935 HydrophobicContact SD-CG 4.34Å; M895-K935 PolarHBondContact SD-NZ 3.11Å; E896-K935 WeakPolarHBondContact O-CA 3.13Å; L897-K935 HydrophobicContact CD2-CG 3.91Å; E931-K935 WeakPolarHBondContact CA-O 3.17Å; I932-K935 PolarHBondContact N-O 2.87Å; I932-K935 WeakPolarHBondContact O-CB 3.03Å; I932-K935 PolarHBondContact O-N 2.97Å; D933-K935 VanDerWaalsContact C-N 3.26Å; D933-K935 PolarHBondContact O-N 3.21Å; K935-F937 HydrophobicContact CB-CD2 4.14Å; K935-F937 HydrophobicContact CB-CE2 3.53Å; K935-F937 HydrophobicContact CB-CZ 4.2Å; K935-F937 HydrophobicContact CD-CE2 4.18Å; K935-F937 HydrophobicContact CD-CZ 4.05Å
936	H	77.2	Confident	81.9	Confident	16 Å²	16	40.7 Å²	40.7	7%	0.074	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	137.7	165.6	-70.3	-90.9	0	0	0	109.6	M895 E896 H898 C905 L907 E931	M895-H936 WeakPolarHBondContact CA-O 3.42Å; E896-H936 PolarHBondContact N-O 3.11Å; E896-H936 PolarHBondContact O-N 2.88Å; H898-H936 AromaticContact CE1-NE2 3.72Å; H898-H936 AromaticContact ND1-CD2 3.49Å; H898-H936 PolarHBondContact ND1-CD2 3.4Å; H898-H936 AromaticContact ND1-NE2 2.93Å; H898-H936 PolarHBondContact ND1-NE2 2.89Å; C905-H936 PolarHBondContact SG-CD2 3.46Å; L907-H936 HydrophobicContact CB-CB 4.15Å; L907-H936 HydrophobicContact CD2-CB 3.74Å; L907-H936 VanDerWaalsContact CD2-O 3.32Å; L907-H936 WeakPolarHBondContact CD2-O 3.36Å; E931-H936 IonicContact OE1-CE1 2.7Å; E931-H936 IonicContact OE1-NE2 3.59Å; E931-H936 PolarHBondContact OE1-NE2 2.72Å; E931-H936 IonicContact OE2-CE1 2.7Å; E931-H936 PolarHBondContact OE2-CE1 2.78Å; E931-H936 IonicContact OE2-NE2 3.05Å
937	F	81.4	Confident	82.1	Confident	16 Å²	16	39.3 Å²	39.3	7%	0.07	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	138.8	176.4	-66.4	-102.8	0	0	0	109.2	C862 V893 K894 M895 W928 E929 K930 I932 K935	C862-F937 HydrophobicContact CB-CE1 4.16Å; V893-F937 HydrophobicContact CG1-CD1 4.2Å; K894-F937 WeakPolarHBondContact O-CA 3.35Å; M895-F937 HydrophobicContact CB-CD1 4.43Å; M895-F937 HydrophobicContact CE-CE1 3.64Å; M895-F937 HydrophobicContact CE-CZ 4.03Å; M895-F937 HydrophobicContact CG-CD1 4.16Å; M895-F937 HydrophobicContact CG-CE1 3.94Å; M895-F937 HydrophobicContact CG-CZ 4.14Å; M895-F937 HydrophobicContact SD-CE1 4.34Å; M895-F937 HydrophobicContact SD-CZ 4.35Å; W928-F937 HydrophobicContact CZ3-CB 3.95Å; E929-F937 WeakPolarHBondContact CA-O 3.18Å; K930-F937 PolarHBondContact N-O 2.57Å; K930-F937 PolarHBondContact O-N 3.11Å; I932-F937 HydrophobicContact CB-CD2 4.43Å; I932-F937 HydrophobicContact CB-CE2 4.06Å; K935-F937 HydrophobicContact CB-CD2 4.14Å; K935-F937 HydrophobicContact CB-CE2 3.53Å; K935-F937 HydrophobicContact CB-CZ 4.2Å; K935-F937 HydrophobicContact CD-CE2 4.18Å; K935-F937 HydrophobicContact CD-CZ 4.05Å
938	I	87.4	Confident	82.6	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	145.5	160.1	61.2	178.1	0	0	0	109.9	V893 K894 L907 V911 Y914 L926 W928 E929 I940	V893-I938 CarbonylContact C-O 3.5Å; V893-I938 WeakPolarHBondContact CA-O 3.48Å; K894-I938 HydrophobicContact CB-CD1 4.37Å; K894-I938 HydrophobicContact CB-CG1 3.87Å; K894-I938 PolarHBondContact N-O 3.02Å; K894-I938 PolarHBondContact O-N 2.7Å; L907-I938 HydrophobicContact CD1-CD1 3.87Å; L907-I938 HydrophobicContact CD1-CG1 4.04Å; L907-I938 HydrophobicContact CD2-CB 4.45Å; L907-I938 HydrophobicContact CD2-CG1 4.1Å; L907-I938 HydrophobicContact CD2-CG2 4.03Å; L907-I938 HydrophobicContact CG-CD1 4.1Å; L907-I938 HydrophobicContact CG-CG1 4.08Å; L907-I938 HydrophobicContact CG-CG2 4.07Å; V911-I938 HydrophobicContact CG2-CG2 3.6Å; Y914-I938 HydrophobicContact CD2-CD1 4.3Å; Y914-I938 HydrophobicContact CE2-CD1 3.92Å; L926-I938 HydrophobicContact CD1-CB 3.98Å; L926-I938 HydrophobicContact CD1-CG2 4.18Å; W928-I938 CarbonylContact O-C 3.49Å; W928-I938 WeakPolarHBondContact O-CA 3.43Å; E929-I938 HydrophobicContact CB-CG2 4.25Å; E929-I938 HydrophobicContact CG-CG2 4.1Å; I938-I940 HydrophobicContact CD1-CG2 4.21Å; I938-I940 HydrophobicContact CG1-CG2 4.42Å
939	V	85.9	Confident	83.3	Confident	2 Å²	2	41.2 Å²	41.2	1%	0.012	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	122.6	172.3	-173.2	0	0	0	0	107.2	A860 V891 A892 V893 Y927 W928	A860-V939 HydrophobicContact CB-CB 4.48Å; A860-V939 HydrophobicContact CB-CG1 3.76Å; A860-V939 HydrophobicContact CB-CG2 3.88Å; V891-V939 HydrophobicContact CB-CG1 3.73Å; V891-V939 HydrophobicContact CG1-CG1 4.3Å; V891-V939 HydrophobicContact CG2-CG1 3.56Å; A892-V939 WeakPolarHBondContact O-CA 3.37Å; V893-V939 HydrophobicContact CG1-CG2 4.28Å; V893-V939 HydrophobicContact CG2-CG1 4.39Å; V893-V939 HydrophobicContact CG2-CG2 4.17Å; Y927-V939 HydrophobicContact CD2-CG1 4.18Å; Y927-V939 PolarHBondContact N-O 2.94Å; W928-V939 HydrophobicContact CB-CB 3.89Å; W928-V939 HydrophobicContact CB-CG2 3.89Å; W928-V939 HydrophobicContact CD2-CG2 4.49Å; W928-V939 HydrophobicContact CE3-CG2 3.84Å; W928-V939 PolarHBondContact N-O 3.26Å; W928-V939 PolarHBondContact O-N 3.03Å
940	I	90.2	Very high	83.9	Confident	11 Å²	11	39.7 Å²	39.7	6%	0.056	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	165.9	-176	61.8	174.6	0	0	0	111.3	A892 Y914 P924 L925 L926 I938 L942	A892-I940 HydrophobicContact CB-CG1 4.03Å; A892-I940 PolarHBondContact N-O 3.1Å; A892-I940 PolarHBondContact O-N 3.45Å; Y914-I940 HydrophobicContact CE1-CG2 4.23Å; Y914-I940 HydrophobicContact CE2-CG2 4.48Å; Y914-I940 WeakPolarHBondContact OH-CD1 3.29Å; P924-I940 HydrophobicContact CB-CB 4.47Å; L925-I940 CarbonylContact O-C 3.51Å; L925-I940 WeakPolarHBondContact O-CA 3.45Å; L925-I940 WeakPolarHBondContact O-CB 3.39Å; L926-I940 HydrophobicContact CD1-CG2 3.79Å; I938-I940 HydrophobicContact CD1-CG2 4.21Å; I938-I940 HydrophobicContact CG1-CG2 4.42Å; I940-L942 PolarHBondContact O-N 3.12Å
941	E	91.2	Very high	84.9	Confident	12 Å²	12	35.3 Å²	35.3	6%	0.056	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52	126.9	172.7	-175.7	169	177.5	0	0	111.5	P924 L925 Y927 L943 K998	P924-E941 HydrophobicContact CB-CB 4.2Å; L925-E941 HydrophobicContact CB-CB 4.29Å; L925-E941 PolarHBondContact O-N 3.29Å; Y927-E941 HydrophobicContact CE2-CB 4.26Å; E941-L943 PolarHBondContact O-N 3.4Å; E941-K998 WeakPolarHBondContact OE1-CD 3.32Å; E941-K998 WeakPolarHBondContact OE1-CE 3.3Å; E941-K998 IonicContact OE1-NZ 3.92Å; E941-K998 PolarHBondContact OE1-NZ 3.46Å; E941-K998 IonicContact OE2-NZ 3.5Å; E941-K998 PolarHBondContact OE2-NZ 3.36Å
942	L	91.2	Very high	85.8	Confident	30 Å²	30	37.4 Å²	37.4	16%	0.157	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-70.2	116.8	176.2	178.9	62.4	0	0	0	109.6	I871 K881 A892 I940 V995	I871-L942 HydrophobicContact CD1-CD1 3.68Å; K881-L942 HydrophobicContact CD-CD2 4.35Å; K881-L942 HydrophobicContact CG-CD2 4.29Å; A892-L942 HydrophobicContact CB-CD1 4.04Å; I940-L942 PolarHBondContact O-N 3.12Å; L942-V995 VanDerWaalsContact O-CG1 3.3Å; L942-V995 WeakPolarHBondContact O-CG1 3.5Å; L942-V995 VanDerWaalsContact O-CG2 3.31Å; L942-V995 WeakPolarHBondContact O-CG2 2.97Å
943	L	92.9	Very high	87	Confident	27 Å²	27	41.2 Å²	41.2	14%	0.141	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-88.9	164.8	177.5	-53.6	-178.9	0	0	0	111.5	P924 E941 A992 Y1003 Y1005	P924-L943 HydrophobicContact CB-CD2 4.48Å; P924-L943 HydrophobicContact CG-CD1 3.89Å; P924-L943 HydrophobicContact CG-CD2 4.17Å; P924-L943 HydrophobicContact CG-CG 4.4Å; E941-L943 PolarHBondContact O-N 3.4Å; L943-A992 HydrophobicContact CB-CB 4.05Å; L943-A992 HydrophobicContact CD1-CB 3.97Å; L943-Y1003 HydrophobicContact CD2-CD1 4.19Å; L943-Y1003 HydrophobicContact CD2-CD2 3.89Å; L943-Y1003 HydrophobicContact CD2-CG 3.69Å; L943-Y1005 HydrophobicContact CD1-CD1 4.12Å; L943-Y1005 HydrophobicContact CD1-CG 4.18Å
944	G	91.5	Very high	88.3	Confident	23 Å²	23	44.4 Å²	44.4	24%	0.237	22%	0.22	C	C	.	.			trans	-78.5	-164.7	166.6	0	0	0	0	0	112.1	V993	G944-V993 WeakPolarHBondContact CA-O 3.48Å; G944-V993 PolarHBondContact N-O 2.93Å
945	P	91.6	Very high	89.4	Confident	53 Å²	53	45.7 Å²	45.7	34%	0.344	22%	0.221	S	C	.	.			trans	-60.6	148.4	178.7	26.2	-35.3	0	0	0	112.2	I949 L950 A992 V993	P945-I949 HydrophobicContact CB-CB 4.11Å; P945-I949 HydrophobicContact CB-CG2 3.84Å; P945-L950 HydrophobicContact CB-CD2 4.37Å; P945-L950 HydrophobicContact CB-CG 4.25Å; P945-L950 HydrophobicContact CG-CD1 4.36Å; P945-L950 HydrophobicContact CG-CD2 3.82Å; P945-L950 HydrophobicContact CG-CG 4.05Å; P945-A992 WeakPolarHBondContact O-CA 3.38Å; P945-V993 HydrophobicContact CG-CG2 4.06Å; P945-V993 PolarHBondContact O-N 3.15Å
946	S	93.9	Very high	90.5	Very high	5 Å²	5	47.3 Å²	47.3	4%	0.035	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-68.2	158.3	171.8	68.5	0	0	0	0	111.6	D948 I949 L950 F991 Y1005	S946-D948 PolarHBondContact O-N 2.66Å; S946-I949 PolarHBondContact O-N 2.91Å; S946-I949 WeakPolarHBondContact OG-CG1 3.14Å; S946-I949 PolarHBondContact OG-N 3.08Å; S946-L950 WeakPolarHBondContact O-CG 3.45Å; S946-L950 PolarHBondContact O-N 2.84Å; S946-F991 CarbonylContact C-O 3.51Å; S946-F991 VanDerWaalsContact CA-O 3.23Å; S946-F991 WeakPolarHBondContact CA-O 3.2Å; S946-F991 WeakPolarHBondContact CB-O 3.49Å; S946-Y1005 WeakPolarHBondContact CB-OH 3.47Å
947	V	94.5	Very high	91.3	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.006	23%	0.233	C	C	.	.	H	α-helix	trans	-62.9	-27.4	175.3	172.6	0	0	0	0	111	L951 F957 T988 F991 I1002 L1062	V947-L951 VanDerWaalsContact O-CB 3.25Å; V947-L951 WeakPolarHBondContact O-CB 3.38Å; V947-L951 PolarHBondContact O-N 2.53Å; V947-F957 HydrophobicContact CG1-CE2 4.08Å; V947-T988 WeakPolarHBondContact CB-O 3Å; V947-T988 HydrophobicContact CG1-CG2 4.29Å; V947-T988 PolarHBondContact N-O 3.44Å; V947-F991 HydrophobicContact CB-CB 4.41Å; V947-F991 HydrophobicContact CG2-CB 3.92Å; V947-F991 PolarHBondContact N-O 3.02Å; V947-I1002 HydrophobicContact CG2-CD1 4.49Å; V947-L1062 HydrophobicContact CG1-CD1 4.14Å; V947-L1062 HydrophobicContact CG1-CD2 3.73Å
948	D	93.3	Very high	91.8	Very high	35 Å²	35	49.7 Å²	49.7	19%	0.187	25%	0.247	C	C	.	.	H	α-helix	trans	-63.3	-46.2	168.9	167.1	76.1	0	0	0	112.9	S946 L951 K952 T988	S946-D948 PolarHBondContact O-N 2.66Å; D948-L951 PolarHBondContact O-N 2.72Å; D948-K952 WeakPolarHBondContact O-CB 3.25Å; D948-K952 WeakPolarHBondContact O-CD 3.21Å; D948-K952 VanDerWaalsContact O-CG 3.29Å; D948-K952 WeakPolarHBondContact O-CG 3.41Å; D948-K952 PolarHBondContact O-N 3.06Å; D948-K952 WeakPolarHBondContact OD1-CE 3.41Å; D948-K952 IonicContact OD1-NZ 3.11Å; D948-K952 PolarHBondContact OD1-NZ 3.43Å; D948-K952 IonicContact OD2-NZ 3.4Å; D948-K952 PolarHBondContact OD2-NZ 2.63Å; D948-T988 PolarHBondContact N-O 2.82Å
949	I	92.5	Very high	92	Very high	88 Å²	88	51.3 Å²	51.3	45%	0.451	26%	0.255	S	S	.	.	H	α-helix	trans	-63.7	-44.3	176.4	-69.3	166.2	0	0	0	110.1	P945 S946 K952 Q953	P945-I949 HydrophobicContact CB-CB 4.11Å; P945-I949 HydrophobicContact CB-CG2 3.84Å; S946-I949 PolarHBondContact O-N 2.91Å; S946-I949 WeakPolarHBondContact OG-CG1 3.14Å; S946-I949 PolarHBondContact OG-N 3.08Å; I949-K952 PolarHBondContact O-N 2.89Å; I949-Q953 WeakPolarHBondContact O-CB 3.09Å; I949-Q953 PolarHBondContact O-N 3.02Å
950	L	92.9	Very high	92.3	Very high	29 Å²	29	55.1 Å²	55.1	15%	0.152	27%	0.269	C	S	.	.	H	α-helix	trans	-63.8	-43.7	177.2	-66.4	169.8	0	0	0	111.6	P945 S946 K952 Q953 Y954 F957 V993	P945-L950 HydrophobicContact CB-CD2 4.37Å; P945-L950 HydrophobicContact CB-CG 4.25Å; P945-L950 HydrophobicContact CG-CD1 4.36Å; P945-L950 HydrophobicContact CG-CD2 3.82Å; P945-L950 HydrophobicContact CG-CG 4.05Å; S946-L950 WeakPolarHBondContact O-CG 3.45Å; S946-L950 PolarHBondContact O-N 2.84Å; L950-K952 VanDerWaalsContact C-N 3.34Å; L950-K952 PolarHBondContact O-N 3.28Å; L950-Q953 WeakPolarHBondContact O-CB 3.2Å; L950-Q953 PolarHBondContact O-N 3.08Å; L950-Q953 VanDerWaalsContact O-N 3.13Å; L950-Y954 HydrophobicContact CD2-CD2 4.49Å; L950-Y954 HydrophobicContact CD2-CE2 4Å; L950-Y954 VanDerWaalsContact O-CD2 3.3Å; L950-Y954 WeakPolarHBondContact O-CD2 3.27Å; L950-Y954 PolarHBondContact O-N 2.9Å; L950-F957 HydrophobicContact CB-CE1 4.33Å; L950-F957 HydrophobicContact CB-CZ 3.79Å; L950-V993 HydrophobicContact CD1-CG1 3.87Å; L950-V993 HydrophobicContact CD1-CG2 4.4Å
951	L	93.6	Very high	92.4	Very high	15 Å²	15	55 Å²	55	8%	0.079	27%	0.269	C	S	.	.	H	α-helix	trans	-61.6	-42.5	175	-178.7	65.5	0	0	0	111.4	V947 D948 Q953 K955 F957 T988 E1061 L1062	V947-L951 VanDerWaalsContact O-CB 3.25Å; V947-L951 WeakPolarHBondContact O-CB 3.38Å; V947-L951 PolarHBondContact O-N 2.53Å; D948-L951 PolarHBondContact O-N 2.72Å; L951-Q953 PolarHBondContact O-N 3.22Å; L951-K955 WeakPolarHBondContact CD1-O 3.45Å; L951-K955 WeakPolarHBondContact O-CA 3.43Å; L951-K955 PolarHBondContact O-N 3.23Å; L951-F957 HydrophobicContact CB-CZ 4.44Å; L951-T988 HydrophobicContact CD2-CG2 4.29Å; L951-E1061 HydrophobicContact CD2-CG 3.92Å; L951-L1062 HydrophobicContact CB-CD2 4.31Å; L951-L1062 HydrophobicContact CD1-CD2 4.03Å; L951-L1062 HydrophobicContact CD2-CD2 4.19Å; L951-L1062 HydrophobicContact CG-CD2 4.4Å
952	K	91.4	Very high	92.6	Very high	125 Å²	125	54.4 Å²	54.4	54%	0.543	27%	0.266	S	S	.	.	H	α-helix	trans	-62.2	-31	175	-75.6	165.2	-179.8	163.2	0	112.8	D948 I949 L950 K955	D948-K952 WeakPolarHBondContact O-CB 3.25Å; D948-K952 WeakPolarHBondContact O-CD 3.21Å; D948-K952 VanDerWaalsContact O-CG 3.29Å; D948-K952 WeakPolarHBondContact O-CG 3.41Å; D948-K952 PolarHBondContact O-N 3.06Å; D948-K952 WeakPolarHBondContact OD1-CE 3.41Å; D948-K952 IonicContact OD1-NZ 3.11Å; D948-K952 PolarHBondContact OD1-NZ 3.43Å; D948-K952 IonicContact OD2-NZ 3.4Å; D948-K952 PolarHBondContact OD2-NZ 2.63Å; I949-K952 PolarHBondContact O-N 2.89Å; L950-K952 VanDerWaalsContact C-N 3.34Å; L950-K952 PolarHBondContact O-N 3.28Å; K952-K955 WeakPolarHBondContact O-CE 3.47Å; K952-K955 PolarHBondContact O-NZ 3.1Å
953	Q	91.4	Very high	92.7	Very high	116 Å²	116	53 Å²	53	54%	0.542	26%	0.259	S	S	.	.	H	α-helix	trans	-76.7	-55.2	176.5	-178.5	176.1	-22.9	0	0	112.2	I949 L950 L951	I949-Q953 WeakPolarHBondContact O-CB 3.09Å; I949-Q953 PolarHBondContact O-N 3.02Å; L950-Q953 WeakPolarHBondContact O-CB 3.2Å; L950-Q953 PolarHBondContact O-N 3.08Å; L950-Q953 VanDerWaalsContact O-N 3.13Å; L951-Q953 PolarHBondContact O-N 3.22Å
954	Y	92	Very high	92.7	Very high	141 Å²	141	52 Å²	52	55%	0.553	25%	0.253	S	S	*	.	H	α-helix	trans	-92.4	-10.8	-170.8	-64.4	-83.2	0	0	0	114.9	L950 I956	L950-Y954 HydrophobicContact CD2-CD2 4.49Å; L950-Y954 HydrophobicContact CD2-CE2 4Å; L950-Y954 VanDerWaalsContact O-CD2 3.3Å; L950-Y954 WeakPolarHBondContact O-CD2 3.27Å; L950-Y954 PolarHBondContact O-N 2.9Å; Y954-I956 PolarHBondContact O-N 3.34Å
955	K	91.6	Very high	92.8	Very high	140 Å²	140	51.1 Å²	51.1	61%	0.609	24%	0.243	S	C	*	.	S	Bend	trans	66.4	-43.1	-179.9	-48.6	-53.3	-176.8	-170.3	0	116.4	L951 K952 G1065	L951-K955 WeakPolarHBondContact CD1-O 3.45Å; L951-K955 WeakPolarHBondContact O-CA 3.43Å; L951-K955 PolarHBondContact O-N 3.23Å; K952-K955 WeakPolarHBondContact O-CE 3.47Å; K952-K955 PolarHBondContact O-NZ 3.1Å; K955-G1065 WeakPolarHBondContact O-CA 3.19Å
956	I	92.9	Very high	93	Very high	107 Å²	107	48.6 Å²	48.6	55%	0.549	23%	0.227	S	C	.	.	S	Bend	trans	-140.4	148.6	175	56.8	175	0	0	0	109.3	Y954	Y954-I956 PolarHBondContact O-N 3.34Å
957	F	94.2	Very high	93	Very high	23 Å²	23	50 Å²	50	10%	0.101	23%	0.232	C	C	.	.			trans	-107.7	152.3	173.4	-66.8	-4.4	0	0	0	110.6	V947 L950 L951 T961 V962 I965 L1062	V947-F957 HydrophobicContact CG1-CE2 4.08Å; L950-F957 HydrophobicContact CB-CE1 4.33Å; L950-F957 HydrophobicContact CB-CZ 3.79Å; L951-F957 HydrophobicContact CB-CZ 4.44Å; F957-T961 HydrophobicContact CB-CG2 4.26Å; F957-T961 HydrophobicContact CD2-CG2 3.93Å; F957-T961 HydrophobicContact CG-CG2 4.2Å; F957-V962 HydrophobicContact CB-CG2 3.61Å; F957-V962 HydrophobicContact CD2-CG2 4.47Å; F957-I965 HydrophobicContact CD2-CD1 3.73Å; F957-I965 HydrophobicContact CE2-CD1 3.61Å; F957-L1062 HydrophobicContact CD2-CB 4.11Å; F957-L1062 HydrophobicContact CD2-CD1 4.03Å; F957-L1062 HydrophobicContact CD2-CD2 3.87Å; F957-L1062 HydrophobicContact CD2-CG 4.2Å; F957-L1062 HydrophobicContact CE2-CD1 4.18Å; F957-L1062 HydrophobicContact CE2-CD2 3.69Å; F957-L1062 HydrophobicContact CE2-CG 4.4Å; F957-L1062 HydrophobicContact CZ-CD2 4.29Å; F957-L1062 PolarHBondContact N-O 3.07Å
958	T	92.9	Very high	93.1	Very high	60 Å²	60	50.4 Å²	50.4	37%	0.368	23%	0.234	S	C	.	.			trans	-69	157.8	175.7	67.5	0	0	0	0	111.4	R960 T961 V962 D1139	T958-R960 PolarHBondContact O-N 3.02Å; T958-T961 PolarHBondContact O-N 2.8Å; T958-T961 PolarHBondContact OG1-N 3.32Å; T958-T961 VanDerWaalsContact OG1-N 3.08Å; T958-V962 WeakPolarHBondContact O-CB 3.33Å; T958-V962 WeakPolarHBondContact O-CG2 3.48Å; T958-V962 PolarHBondContact O-N 3.31Å; T958-D1139 WeakPolarHBondContact CB-OD2 3.36Å; T958-D1139 VanDerWaalsContact CG2-OD2 3.23Å; T958-D1139 WeakPolarHBondContact CG2-OD2 3.22Å; T958-D1139 VanDerWaalsContact OG1-CG 3.24Å; T958-D1139 PolarHBondContact OG1-OD1 2.74Å; T958-D1139 PolarHBondContact OG1-OD2 2.75Å
959	L	91.5	Very high	93.3	Very high	34 Å²	34	48.7 Å²	48.7	18%	0.178	23%	0.225	C	C	.	.	H	α-helix	trans	-58.2	-33.7	171.9	178.6	57.5	0	0	0	111.7	A963 L1063 P1095 I1098 A1126 Q1130	L959-A963 WeakPolarHBondContact O-CB 3.27Å; L959-A963 PolarHBondContact O-N 3.47Å; L959-L1063 HydrophobicContact CD1-CD2 4.4Å; L959-P1095 HydrophobicContact CD1-CB 4.18Å; L959-P1095 HydrophobicContact CD1-CG 3.95Å; L959-P1095 HydrophobicContact CD2-CB 3.85Å; L959-P1095 HydrophobicContact CD2-CG 3.81Å; L959-P1095 HydrophobicContact CG-CG 4.43Å; L959-I1098 HydrophobicContact CD1-CG1 4.41Å; L959-A1126 HydrophobicContact CD1-CB 4.48Å; L959-Q1130 HydrophobicContact CD2-CG 4.4Å; L959-Q1130 HydrophobicContact CG-CG 4.22Å
960	R	91.4	Very high	93.5	Very high	82 Å²	82	44.5 Å²	44.5	31%	0.309	20%	0.203	S	C	.	.	H	α-helix	trans	-54.6	-59.5	172.5	-179.1	-166.5	156.6	165.9	-10	111.2	T958 A963 M964 Q1130 I1132 L1137 D1139	T958-R960 PolarHBondContact O-N 3.02Å; R960-A963 PolarHBondContact O-N 3.43Å; R960-M964 HydrophobicContact CG-SD 4.33Å; R960-M964 WeakPolarHBondContact O-CG 3.42Å; R960-M964 PolarHBondContact O-N 3.49Å; R960-M964 VanDerWaalsContact O-N 3.15Å; R960-Q1130 HydrophobicContact CB-CB 4.19Å; R960-Q1130 HydrophobicContact CB-CG 4.39Å; R960-Q1130 HydrophobicContact CG-CB 4.49Å; R960-I1132 HydrophobicContact CG-CD1 3.59Å; R960-I1132 HydrophobicContact CG-CG1 4.14Å; R960-L1137 PolarHBondContact NH2-O 2.89Å; R960-D1139 WeakPolarHBondContact CD-OD2 3.23Å
961	T	92.6	Very high	93.6	Very high	8 Å²	8	44.2 Å²	44.2	5%	0.049	20%	0.201	C	C	.	.	H	α-helix	trans	-69.4	-38.4	-177.6	-80.1	0	0	0	0	112.4	F957 T958 A963 M964 I965 F1138 D1139	F957-T961 HydrophobicContact CB-CG2 4.26Å; F957-T961 HydrophobicContact CD2-CG2 3.93Å; F957-T961 HydrophobicContact CG-CG2 4.2Å; T958-T961 PolarHBondContact O-N 2.8Å; T958-T961 PolarHBondContact OG1-N 3.32Å; T958-T961 VanDerWaalsContact OG1-N 3.08Å; T961-A963 VanDerWaalsContact C-N 3.34Å; T961-A963 PolarHBondContact O-N 2.85Å; T961-M964 PolarHBondContact O-N 3.3Å; T961-I965 HydrophobicContact CG2-CD1 3.66Å; T961-I965 HydrophobicContact CG2-CG1 4.31Å; T961-I965 WeakPolarHBondContact O-CB 3.32Å; T961-I965 WeakPolarHBondContact O-CG1 3.49Å; T961-I965 PolarHBondContact O-N 3.47Å; T961-F1138 HydrophobicContact CG2-CB 4.23Å; T961-F1138 HydrophobicContact CG2-CD1 3.94Å; T961-F1138 HydrophobicContact CG2-CG 4.38Å; T961-D1139 VanDerWaalsContact CB-OD1 3.27Å; T961-D1139 WeakPolarHBondContact CB-OD1 3.41Å; T961-D1139 PolarHBondContact OG1-N 2.78Å; T961-D1139 PolarHBondContact OG1-OD1 3.26Å
962	V	94.5	Very high	93.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.5	-39.8	174	175.4	0	0	0	0	111.9	F957 T958 M964 I965 G966 I1059 L1062 L1063	F957-V962 HydrophobicContact CB-CG2 3.61Å; F957-V962 HydrophobicContact CD2-CG2 4.47Å; T958-V962 WeakPolarHBondContact O-CB 3.33Å; T958-V962 WeakPolarHBondContact O-CG2 3.48Å; T958-V962 PolarHBondContact O-N 3.31Å; V962-M964 VanDerWaalsContact C-N 3.35Å; V962-I965 PolarHBondContact O-N 2.84Å; V962-G966 PolarHBondContact O-N 2.64Å; V962-I1059 HydrophobicContact CG1-CD1 3.89Å; V962-I1059 HydrophobicContact CG1-CG2 3.84Å; V962-L1062 HydrophobicContact CG2-CB 3.67Å; V962-L1063 HydrophobicContact CB-CD2 3.91Å; V962-L1063 HydrophobicContact CB-CG 4.29Å; V962-L1063 HydrophobicContact CG1-CD1 4.28Å; V962-L1063 HydrophobicContact CG1-CD2 4.03Å; V962-L1063 HydrophobicContact CG1-CG 3.92Å; V962-L1063 HydrophobicContact CG2-CD2 3.76Å; V962-L1063 HydrophobicContact CG2-CG 4.04Å
963	A	93	Very high	94.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-66.5	-37.9	178	0	0	0	0	0	112	L959 R960 T961 Y967 F1123 A1126 M1127	L959-A963 WeakPolarHBondContact O-CB 3.27Å; L959-A963 PolarHBondContact O-N 3.47Å; R960-A963 PolarHBondContact O-N 3.43Å; T961-A963 VanDerWaalsContact C-N 3.34Å; T961-A963 PolarHBondContact O-N 2.85Å; A963-Y967 VanDerWaalsContact O-CB 3.28Å; A963-Y967 WeakPolarHBondContact O-CB 3.19Å; A963-Y967 PolarHBondContact O-N 2.9Å; A963-F1123 HydrophobicContact CB-CD1 4.45Å; A963-A1126 HydrophobicContact CB-CB 3.83Å; A963-M1127 HydrophobicContact CB-CG 3.69Å
964	M	93.3	Very high	94.3	Very high	6 Å²	6	34.3 Å²	34.3	3%	0.03	15%	0.154	C	C	.	.	H	α-helix	trans	-67.5	-45.2	175	-68.4	170	57.4	0	0	112.7	R960 T961 V962 Q968 M1127 I1132 H1136 F1138	R960-M964 HydrophobicContact CG-SD 4.33Å; R960-M964 WeakPolarHBondContact O-CG 3.42Å; R960-M964 PolarHBondContact O-N 3.49Å; R960-M964 VanDerWaalsContact O-N 3.15Å; T961-M964 PolarHBondContact O-N 3.3Å; V962-M964 VanDerWaalsContact C-N 3.35Å; M964-Q968 WeakPolarHBondContact O-CG 3.29Å; M964-Q968 PolarHBondContact O-N 2.97Å; M964-M1127 HydrophobicContact CG-CG 4.39Å; M964-M1127 HydrophobicContact CG-SD 3.89Å; M964-I1132 HydrophobicContact CG-CD1 3.58Å; M964-I1132 HydrophobicContact SD-CD1 3.61Å; M964-I1132 HydrophobicContact SD-CG1 4.42Å; M964-H1136 WeakPolarHBondContact CE-O 3.49Å; M964-F1138 HydrophobicContact CB-CD1 4.18Å; M964-F1138 HydrophobicContact CB-CE1 3.88Å; M964-F1138 HydrophobicContact CE-CD1 3.78Å; M964-F1138 HydrophobicContact CE-CE1 3.96Å; M964-F1138 HydrophobicContact CE-CG 4.49Å; M964-F1138 HydrophobicContact SD-CD1 4.46Å
965	I	94.6	Very high	94.6	Very high	5 Å²	5	29.1 Å²	29.1	3%	0.026	14%	0.136	C	C	.	.	H	α-helix	trans	-63.2	-48.5	175.8	-68.7	171.7	0	0	0	109.8	F957 T961 V962 Y967 Q968 C969 I1002 L1062 F1138	F957-I965 HydrophobicContact CD2-CD1 3.73Å; F957-I965 HydrophobicContact CE2-CD1 3.61Å; T961-I965 HydrophobicContact CG2-CD1 3.66Å; T961-I965 HydrophobicContact CG2-CG1 4.31Å; T961-I965 WeakPolarHBondContact O-CB 3.32Å; T961-I965 WeakPolarHBondContact O-CG1 3.49Å; T961-I965 PolarHBondContact O-N 3.47Å; V962-I965 PolarHBondContact O-N 2.84Å; I965-Y967 PolarHBondContact O-N 2.99Å; I965-Q968 PolarHBondContact O-N 3.28Å; I965-C969 WeakPolarHBondContact O-CB 3.27Å; I965-C969 PolarHBondContact O-N 3.23Å; I965-C969 PolarHBondContact O-SG 2.86Å; I965-I1002 HydrophobicContact CG1-CD1 4.11Å; I965-I1002 HydrophobicContact CG1-CG1 4.23Å; I965-L1062 HydrophobicContact CD1-CD1 4.34Å; I965-L1062 HydrophobicContact CG2-CD1 4.08Å; I965-F1138 HydrophobicContact CG1-CD1 4.26Å; I965-F1138 HydrophobicContact CG1-CE1 3.73Å; I965-F1138 HydrophobicContact CG1-CZ 4.33Å
966	G	95	Very high	94.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-61.9	-41.3	-179.7	0	0	0	0	0	113.3	V962 C969 V970	V962-G966 PolarHBondContact O-N 2.64Å; G966-C969 PolarHBondContact O-N 3.38Å; G966-V970 WeakPolarHBondContact O-CG2 3.44Å; G966-V970 PolarHBondContact O-N 3.45Å
967	Y	94.9	Very high	95	Very high	36 Å²	36	17.7 Å²	17.7	14%	0.141	8%	0.082	C	C	.	.	H	α-helix	trans	-56.8	-54.4	172.6	-173.3	-89	0	0	0	111.3	A963 I965 C969 V970 E971 L1120 F1123 R1124 M1127	A963-Y967 VanDerWaalsContact O-CB 3.28Å; A963-Y967 WeakPolarHBondContact O-CB 3.19Å; A963-Y967 PolarHBondContact O-N 2.9Å; I965-Y967 PolarHBondContact O-N 2.99Å; Y967-C969 VanDerWaalsContact C-N 3.32Å; Y967-C969 PolarHBondContact O-N 3.46Å; Y967-V970 PolarHBondContact O-N 2.97Å; Y967-E971 HydrophobicContact CD1-CG 4.18Å; Y967-E971 HydrophobicContact CE1-CG 3.92Å; Y967-E971 VanDerWaalsContact CE1-OE2 3.23Å; Y967-E971 WeakPolarHBondContact CE1-OE2 3.32Å; Y967-E971 WeakPolarHBondContact O-CG 3.06Å; Y967-E971 PolarHBondContact O-N 3.2Å; Y967-L1120 HydrophobicContact CD1-CD2 4.37Å; Y967-L1120 HydrophobicContact CD2-CB 4.44Å; Y967-L1120 HydrophobicContact CD2-CD2 3.7Å; Y967-L1120 HydrophobicContact CE1-CD2 4.35Å; Y967-L1120 HydrophobicContact CE2-CB 4.03Å; Y967-L1120 HydrophobicContact CE2-CD2 3.68Å; Y967-L1120 HydrophobicContact CE2-CG 4.43Å; Y967-L1120 HydrophobicContact CG-CD2 4.05Å; Y967-L1120 WeakPolarHBondContact O-CD2 3.36Å; Y967-F1123 HydrophobicContact CD2-CB 4.03Å; Y967-F1123 HydrophobicContact CG-CB 4.5Å; Y967-R1124 HydrophobicContact CE2-CB 4.44Å; Y967-R1124 PolarHBondContact OH-NH2 2.88Å; Y967-M1127 HydrophobicContact CD1-CE 4.25Å; Y967-M1127 HydrophobicContact CD2-CE 3.4Å; Y967-M1127 VanDerWaalsContact CD2-CE 3.4Å; Y967-M1127 HydrophobicContact CE2-CE 3.99Å; Y967-M1127 HydrophobicContact CG-CE 3.56Å
968	Q	95.5	Very high	95	Very high	8 Å²	8	21.2 Å²	21.2	4%	0.037	10%	0.102	C	C	.	.	H	α-helix	trans	-61.9	-38.3	178.9	-67.2	-173.8	61.7	0	0	112	H922 M964 I965 V970 E971 T972 G1000 I1002	H922-Q968 PolarHBondContact CE1-OE1 3.44Å; H922-Q968 PolarHBondContact ND1-OE1 3.42Å; M964-Q968 WeakPolarHBondContact O-CG 3.29Å; M964-Q968 PolarHBondContact O-N 2.97Å; I965-Q968 PolarHBondContact O-N 3.28Å; Q968-V970 PolarHBondContact O-N 3.08Å; Q968-E971 PolarHBondContact O-N 2.78Å; Q968-T972 WeakPolarHBondContact O-CB 3.23Å; Q968-T972 PolarHBondContact O-N 3.26Å; Q968-T972 PolarHBondContact O-OG1 3.32Å; Q968-G1000 PolarHBondContact NE2-O 2.81Å; Q968-I1002 HydrophobicContact CB-CB 4.16Å; Q968-I1002 HydrophobicContact CB-CG1 4.36Å
969	C	97.2	Very high	95	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-63.7	-40.1	175.7	-67.9	0	0	0	0	112.2	I965 G966 Y967 T972 I973 F991 L1055	I965-C969 WeakPolarHBondContact O-CB 3.27Å; I965-C969 PolarHBondContact O-N 3.23Å; I965-C969 PolarHBondContact O-SG 2.86Å; G966-C969 PolarHBondContact O-N 3.38Å; Y967-C969 VanDerWaalsContact C-N 3.32Å; Y967-C969 PolarHBondContact O-N 3.46Å; C969-T972 PolarHBondContact O-N 2.7Å; C969-I973 WeakPolarHBondContact O-CB 3.37Å; C969-I973 VanDerWaalsContact O-CG1 3.27Å; C969-I973 WeakPolarHBondContact O-CG1 3.49Å; C969-I973 PolarHBondContact O-N 3.25Å; C969-F991 HydrophobicContact CB-CE1 4.25Å; C969-F991 HydrophobicContact CB-CZ 4.2Å; C969-L1055 HydrophobicContact CB-CD1 3.65Å; C969-L1055 HydrophobicContact CB-CD2 4.41Å
970	V	97.2	Very high	95.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-68	-38.8	175	176.2	0	0	0	0	111.4	G966 Y967 Q968 R974 L1055 Y1116 L1119 L1120 F1123	G966-V970 WeakPolarHBondContact O-CG2 3.44Å; G966-V970 PolarHBondContact O-N 3.45Å; Y967-V970 PolarHBondContact O-N 2.97Å; Q968-V970 PolarHBondContact O-N 3.08Å; V970-R974 WeakPolarHBondContact O-CB 3.18Å; V970-R974 PolarHBondContact O-N 3.5Å; V970-L1055 HydrophobicContact CG2-CD2 3.63Å; V970-Y1116 HydrophobicContact CG1-CD1 4.49Å; V970-L1119 HydrophobicContact CG1-CB 3.92Å; V970-L1119 HydrophobicContact CG2-CB 4.32Å; V970-L1120 HydrophobicContact CB-CD2 3.83Å; V970-L1120 HydrophobicContact CB-CG 4.31Å; V970-L1120 HydrophobicContact CG1-CD1 4.42Å; V970-L1120 HydrophobicContact CG1-CD2 3.79Å; V970-L1120 HydrophobicContact CG1-CG 3.7Å; V970-F1123 HydrophobicContact CG2-CD2 3.93Å; V970-F1123 HydrophobicContact CG2-CE2 3.63Å
971	E	96	Very high	95.3	Very high	22 Å²	22	18 Å²	18	10%	0.103	9%	0.087	C	C	.	.	H	α-helix	trans	-58.6	-48.1	171.6	-62.5	-141.7	88.7	0	0	111.1	Y967 Q968 I973 R974 D975 L1120 R1135	Y967-E971 HydrophobicContact CD1-CG 4.18Å; Y967-E971 HydrophobicContact CE1-CG 3.92Å; Y967-E971 VanDerWaalsContact CE1-OE2 3.23Å; Y967-E971 WeakPolarHBondContact CE1-OE2 3.32Å; Y967-E971 WeakPolarHBondContact O-CG 3.06Å; Y967-E971 PolarHBondContact O-N 3.2Å; Q968-E971 PolarHBondContact O-N 2.78Å; E971-I973 PolarHBondContact O-N 3.05Å; E971-R974 WeakPolarHBondContact O-CB 3.37Å; E971-R974 PolarHBondContact O-N 2.94Å; E971-R974 IonicContact OE1-CZ 3.83Å; E971-R974 VanDerWaalsContact OE1-CZ 3.29Å; E971-R974 IonicContact OE1-NH1 2.68Å; E971-R974 PolarHBondContact OE1-NH1 3.04Å; E971-R974 IonicContact OE1-NH2 2.65Å; E971-R974 PolarHBondContact OE1-NH2 3.45Å; E971-D975 WeakPolarHBondContact O-CB 3.44Å; E971-D975 VanDerWaalsContact O-CG 3.24Å; E971-D975 PolarHBondContact O-N 3.47Å; E971-L1120 HydrophobicContact CG-CD1 4.41Å; E971-L1120 HydrophobicContact CG-CD2 3.66Å; E971-R1135 IonicContact OE2-NH2 2.67Å; E971-R1135 PolarHBondContact OE2-NH2 3.15Å
972	T	96.2	Very high	95.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-63	-44.6	-178.3	-48	0	0	0	0	112.4	H922 F923 Q968 C969 D975 L976 M1004	H922-T972 HydrophobicContact CB-CG2 3.79Å; H922-T972 WeakPolarHBondContact CB-OG1 3.28Å; F923-T972 HydrophobicContact CD2-CG2 4.38Å; F923-T972 HydrophobicContact CE1-CG2 4.15Å; F923-T972 HydrophobicContact CE2-CG2 3.57Å; F923-T972 HydrophobicContact CZ-CG2 3.42Å; F923-T972 VanDerWaalsContact CZ-CG2 3.42Å; Q968-T972 WeakPolarHBondContact O-CB 3.23Å; Q968-T972 PolarHBondContact O-N 3.26Å; Q968-T972 PolarHBondContact O-OG1 3.32Å; C969-T972 PolarHBondContact O-N 2.7Å; T972-D975 PolarHBondContact O-N 3.16Å; T972-L976 PolarHBondContact O-N 2.9Å; T972-M1004 HydrophobicContact CG2-CB 3.51Å; T972-M1004 HydrophobicContact CG2-CE 3.8Å; T972-M1004 HydrophobicContact CG2-CG 4.3Å; T972-M1004 HydrophobicContact CG2-SD 3.84Å
973	I	97.9	Very high	95.5	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	9%	0.085	C	C	.	.	H	α-helix	trans	-68.9	-42.5	177.6	-70.2	167.1	0	0	0	110.9	C969 E971 D975 L976 H977 I986 M1004 L1052 L1055	C969-I973 WeakPolarHBondContact O-CB 3.37Å; C969-I973 VanDerWaalsContact O-CG1 3.27Å; C969-I973 WeakPolarHBondContact O-CG1 3.49Å; C969-I973 PolarHBondContact O-N 3.25Å; E971-I973 PolarHBondContact O-N 3.05Å; I973-D975 VanDerWaalsContact C-N 3.28Å; I973-D975 PolarHBondContact O-N 3.21Å; I973-L976 PolarHBondContact O-N 3.42Å; I973-H977 WeakPolarHBondContact CG2-CE1 3.32Å; I973-H977 VanDerWaalsContact O-CB 3.28Å; I973-H977 WeakPolarHBondContact O-CB 3.35Å; I973-H977 PolarHBondContact O-CD2 3.17Å; I973-H977 VanDerWaalsContact O-CD2 3.3Å; I973-H977 PolarHBondContact O-N 3Å; I973-I986 HydrophobicContact CD1-CD1 3.93Å; I973-I986 HydrophobicContact CD1-CG1 4.24Å; I973-I986 HydrophobicContact CD1-CG2 4.37Å; I973-I986 HydrophobicContact CG1-CD1 4.02Å; I973-M1004 HydrophobicContact CG1-CE 3.67Å; I973-L1052 HydrophobicContact CG2-CD2 3.97Å; I973-L1052 HydrophobicContact CG2-CG 4.49Å; I973-L1055 HydrophobicContact CD1-CB 4.25Å; I973-L1055 HydrophobicContact CD1-CD1 4.43Å; I973-L1055 HydrophobicContact CD1-CD2 4.05Å; I973-L1055 HydrophobicContact CD1-CG 4.47Å
974	R	97	Very high	95.6	Very high	47 Å²	47	18 Å²	18	18%	0.177	9%	0.087	C	C	.	.	H	α-helix	trans	-52.3	-47.9	172.5	171.6	-161.5	72.5	-152.9	-5.8	110.5	V970 E971 H977 N978 Y1116	V970-R974 WeakPolarHBondContact O-CB 3.18Å; V970-R974 PolarHBondContact O-N 3.5Å; E971-R974 WeakPolarHBondContact O-CB 3.37Å; E971-R974 PolarHBondContact O-N 2.94Å; E971-R974 IonicContact OE1-CZ 3.83Å; E971-R974 VanDerWaalsContact OE1-CZ 3.29Å; E971-R974 IonicContact OE1-NH1 2.68Å; E971-R974 PolarHBondContact OE1-NH1 3.04Å; E971-R974 IonicContact OE1-NH2 2.65Å; E971-R974 PolarHBondContact OE1-NH2 3.45Å; R974-H977 PolarHBondContact O-N 2.79Å; R974-N978 WeakPolarHBondContact O-CB 3.45Å; R974-N978 PolarHBondContact O-N 3.07Å; R974-N978 PolarHBondContact O-ND2 2.95Å; R974-Y1116 HydrophobicContact CB-CD1 3.76Å; R974-Y1116 HydrophobicContact CB-CD2 4.37Å; R974-Y1116 HydrophobicContact CB-CE1 4.3Å; R974-Y1116 HydrophobicContact CB-CG 3.82Å; R974-Y1116 HydrophobicContact CG-CD1 4.33Å; R974-Y1116 HydrophobicContact CG-CD2 4.06Å; R974-Y1116 HydrophobicContact CG-CG 3.87Å
975	D	96.8	Very high	95.6	Very high	32 Å²	32	17.9 Å²	17.9	17%	0.171	9%	0.087	C	C	.	.	H	α-helix	trans	-77	-34.3	-172.8	-63.7	-23.9	0	0	0	112.7	M917 E971 T972 I973 N978 K979	M917-D975 HydrophobicContact CE-CB 4.09Å; E971-D975 WeakPolarHBondContact O-CB 3.44Å; E971-D975 VanDerWaalsContact O-CG 3.24Å; E971-D975 PolarHBondContact O-N 3.47Å; T972-D975 PolarHBondContact O-N 3.16Å; I973-D975 VanDerWaalsContact C-N 3.28Å; I973-D975 PolarHBondContact O-N 3.21Å; D975-N978 PolarHBondContact O-N 3.19Å; D975-N978 PolarHBondContact OD1-ND2 2.96Å; D975-K979 PolarHBondContact O-N 2.89Å
976	L	96.5	Very high	95.8	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-61.2	-45.3	167.3	-173.3	66.5	0	0	0	111.6	V913 M917 F923 T972 I973 N978 K979 I981 H983 M1004	V913-L976 HydrophobicContact CG1-CD1 3.6Å; M917-L976 HydrophobicContact SD-CD1 4.43Å; F923-L976 HydrophobicContact CE1-CD1 4.48Å; F923-L976 HydrophobicContact CZ-CB 4.27Å; T972-L976 PolarHBondContact O-N 2.9Å; I973-L976 PolarHBondContact O-N 3.42Å; L976-N978 VanDerWaalsContact C-N 3.34Å; L976-N978 PolarHBondContact O-N 2.8Å; L976-K979 PolarHBondContact O-N 2.77Å; L976-K979 VanDerWaalsContact O-N 3.13Å; L976-I981 HydrophobicContact CD1-CB 3.92Å; L976-I981 HydrophobicContact CD1-CD1 4.19Å; L976-I981 HydrophobicContact CD1-CG2 3.77Å; L976-I981 HydrophobicContact CD2-CG2 4.34Å; L976-I981 HydrophobicContact CG-CB 4.05Å; L976-I981 HydrophobicContact CG-CG2 3.97Å; L976-I981 PolarHBondContact O-N 2.9Å; L976-H983 HydrophobicContact CD2-CB 3.98Å; L976-M1004 HydrophobicContact CD2-SD 4.11Å
977	H	96.4	Very high	95.8	Very high	7 Å²	7	18.8 Å²	18.8	3%	0.032	9%	0.091	C	C	.	.	H	α-helix	trans	-65.3	-35.6	177.6	-70.9	-172.9	0	0	0	112.2	I973 R974 K979 G980 I981 F1013 R1048 D1051 Y1116	I973-H977 WeakPolarHBondContact CG2-CE1 3.32Å; I973-H977 VanDerWaalsContact O-CB 3.28Å; I973-H977 WeakPolarHBondContact O-CB 3.35Å; I973-H977 PolarHBondContact O-CD2 3.17Å; I973-H977 VanDerWaalsContact O-CD2 3.3Å; I973-H977 PolarHBondContact O-N 3Å; R974-H977 PolarHBondContact O-N 2.79Å; H977-K979 PolarHBondContact O-N 3.39Å; H977-G980 PolarHBondContact O-N 3.09Å; H977-I981 WeakPolarHBondContact CA-O 3.47Å; H977-I981 PolarHBondContact CD2-O 3.31Å; H977-F1013 WeakPolarHBondContact O-CE1 3.28Å; H977-F1013 WeakPolarHBondContact O-CZ 3.31Å; H977-R1048 PolarHBondContact CE1-O 3.19Å; H977-D1051 IonicContact NE2-OD2 2.68Å; H977-D1051 PolarHBondContact NE2-OD2 3.47Å; H977-Y1116 WeakPolarHBondContact CB-OH 3.36Å; H977-Y1116 AromaticContact ND1-CE1 3.79Å; H977-Y1116 AromaticContact ND1-CZ 3.7Å; H977-Y1116 PolarHBondContact ND1-OH 3Å
978	N	94.2	Very high	95.7	Very high	98 Å²	98	17.1 Å²	17.1	52%	0.524	8%	0.084	S	C	.	.	H	α-helix	trans	-64	-25.9	173.5	-73.7	-26.5	0	0	0	112.8	R974 D975 L976 G980	R974-N978 WeakPolarHBondContact O-CB 3.45Å; R974-N978 PolarHBondContact O-N 3.07Å; R974-N978 PolarHBondContact O-ND2 2.95Å; D975-N978 PolarHBondContact O-N 3.19Å; D975-N978 PolarHBondContact OD1-ND2 2.96Å; L976-N978 VanDerWaalsContact C-N 3.34Å; L976-N978 PolarHBondContact O-N 2.8Å; N978-G980 VanDerWaalsContact C-N 3.27Å; N978-G980 PolarHBondContact O-N 3.38Å
979	K	93.5	Very high	95.6	Very high	89 Å²	89	18.4 Å²	18.4	39%	0.387	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	9	171.2	-57.8	-64.4	-175.9	161.2	0	114	K916 M917 D975 L976 H977 I981	K916-K979 HydrophobicContact CD-CB 4.45Å; K916-K979 PolarHBondContact NZ-O 2.55Å; K916-K979 WeakPolarHBondContact O-CE 3.35Å; K916-K979 PolarHBondContact O-NZ 2.88Å; M917-K979 HydrophobicContact CE-CG 4.25Å; M917-K979 HydrophobicContact SD-CB 4.25Å; M917-K979 HydrophobicContact SD-CD 4.49Å; M917-K979 HydrophobicContact SD-CG 3.48Å; M917-K979 WeakPolarHBondContact SD-CG 3.23Å; D975-K979 PolarHBondContact O-N 2.89Å; L976-K979 PolarHBondContact O-N 2.77Å; L976-K979 VanDerWaalsContact O-N 3.13Å; H977-K979 PolarHBondContact O-N 3.39Å; K979-I981 HydrophobicContact CB-CD1 4.31Å
980	G	94.2	Very high	95.5	Very high	9 Å²	9	18.7 Å²	18.7	9%	0.093	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	18.1	176.3	0	0	0	0	0	115.2	H977 N978 K1012 F1013 C1014	H977-G980 PolarHBondContact O-N 3.09Å; N978-G980 VanDerWaalsContact C-N 3.27Å; N978-G980 PolarHBondContact O-N 3.38Å; G980-K1012 VanDerWaalsContact O-CA 3.29Å; G980-K1012 WeakPolarHBondContact O-CA 3.46Å; G980-F1013 VanDerWaalsContact C-CD1 3.49Å; G980-F1013 WeakPolarHBondContact O-CD1 3.42Å; G980-F1013 PolarHBondContact O-N 2.65Å; G980-C1014 VanDerWaalsContact CA-SG 3.59Å
981	I	95.2	Very high	95.5	Very high	9 Å²	9	18.7 Å²	18.7	5%	0.046	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	146	-173.2	-60.7	161.6	0	0	0	109.6	V913 K916 L976 H977 K979 C1010 K1011	V913-I981 HydrophobicContact CG1-CD1 4.45Å; V913-I981 HydrophobicContact CG2-CD1 4.23Å; K916-I981 HydrophobicContact CD-CD1 3.78Å; L976-I981 HydrophobicContact CD1-CB 3.92Å; L976-I981 HydrophobicContact CD1-CD1 4.19Å; L976-I981 HydrophobicContact CD1-CG2 3.77Å; L976-I981 HydrophobicContact CD2-CG2 4.34Å; L976-I981 HydrophobicContact CG-CB 4.05Å; L976-I981 HydrophobicContact CG-CG2 3.97Å; L976-I981 PolarHBondContact O-N 2.9Å; H977-I981 WeakPolarHBondContact CA-O 3.47Å; H977-I981 PolarHBondContact CD2-O 3.31Å; K979-I981 HydrophobicContact CB-CD1 4.31Å; I981-C1010 HydrophobicContact CG2-CB 3.83Å; I981-K1011 CarbonylContact C-O 3.56Å; I981-K1011 WeakPolarHBondContact CA-O 3.23Å
982	V	95.4	Very high	95.4	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	146.5	162.2	-70.3	0	0	0	0	109.3	C1010 K1011 F1013 R1048 D1051	V982-C1010 VanDerWaalsContact O-CA 3.31Å; V982-C1010 WeakPolarHBondContact O-CA 3.44Å; V982-K1011 HydrophobicContact CG2-CD 4.21Å; V982-K1011 HydrophobicContact CG2-CG 3.56Å; V982-K1011 PolarHBondContact N-O 3.12Å; V982-K1011 PolarHBondContact O-N 3.4Å; V982-F1013 HydrophobicContact CG1-CB 4.28Å; V982-F1013 HydrophobicContact CG1-CD1 3.68Å; V982-F1013 HydrophobicContact CG1-CE1 4.47Å; V982-F1013 HydrophobicContact CG1-CG 4.28Å; V982-F1013 HydrophobicContact CG2-CB 4.41Å; V982-R1048 HydrophobicContact CG1-CB 4.32Å; V982-R1048 HydrophobicContact CG1-CG 3.64Å; V982-D1051 WeakPolarHBondContact CA-OD2 3.35Å; V982-D1051 VanDerWaalsContact CB-OD2 3.28Å; V982-D1051 WeakPolarHBondContact CB-OD2 3.37Å
983	H	95.2	Very high	95.3	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	10%	0.096	C	C	.	.			trans	-76.1	-43.2	-172.1	-157.3	-74	0	0	0	112.8	L976 D985 I986 M1004 D1006 F1007 L1009 C1010 D1051	L976-H983 HydrophobicContact CD2-CB 3.98Å; H983-D985 PolarHBondContact ND1-O 3.44Å; H983-D985 PolarHBondContact O-N 2.65Å; H983-I986 HydrophobicContact CB-CD1 3.61Å; H983-I986 HydrophobicContact CB-CG1 4.07Å; H983-M1004 PolarHBondContact CD2-SD 3.49Å; H983-D1006 PolarHBondContact CE1-O 2.87Å; H983-F1007 AromaticContact CD2-CD1 3.88Å; H983-F1007 AromaticContact NE2-CD1 3.56Å; H983-F1007 AromaticContact NE2-CE1 3.85Å; H983-L1009 CarbonylContact O-C 3.59Å; H983-C1010 PolarHBondContact O-N 3.04Å; H983-D1051 PolarHBondContact N-OD2 3.16Å
984	C	94.5	Very high	95.1	Very high	7 Å²	7	18.6 Å²	18.6	5%	0.047	10%	0.097	C	C	.	.	S	Bend	trans	61.9	12.7	-175.2	-52.1	0	0	0	0	115.6	R1030 G1031 V1046 D1051	C984-R1030 HydrophobicContact CB-CB 4.39Å; C984-G1031 WeakPolarHBondContact O-CA 3.46Å; C984-G1031 PolarHBondContact O-N 3.01Å; C984-V1046 HydrophobicContact CB-CG1 4.3Å; C984-V1046 HydrophobicContact CB-CG2 4.39Å; C984-D1051 WeakPolarHBondContact CA-OD1 3.5Å; C984-D1051 PolarHBondContact N-OD1 3.03Å
985	D	95	Very high	94.6	Very high	5 Å²	5	19.2 Å²	19.2	3%	0.027	11%	0.106	C	C	.	.			trans	-159.4	53.9	177.5	-160.7	25	0	0	0	112	H983 K987 N990 L1009 G1031 T1032	H983-D985 PolarHBondContact ND1-O 3.44Å; H983-D985 PolarHBondContact O-N 2.65Å; D985-K987 VanDerWaalsContact CG-CE 3.49Å; D985-K987 IonicContact OD1-NZ 2.65Å; D985-K987 WeakPolarHBondContact OD2-CE 3.26Å; D985-K987 IonicContact OD2-NZ 3.5Å; D985-K987 PolarHBondContact OD2-NZ 2.96Å; D985-N990 PolarHBondContact O-ND2 3.48Å; D985-L1009 HydrophobicContact CB-CB 4.41Å; D985-L1009 HydrophobicContact CB-CD1 3.74Å; D985-G1031 WeakPolarHBondContact OD1-CA 3.43Å; D985-T1032 VanDerWaalsContact OD1-CB 3.29Å; D985-T1032 WeakPolarHBondContact OD1-CB 3.41Å; D985-T1032 PolarHBondContact OD1-N 3.01Å; D985-T1032 PolarHBondContact OD1-OG1 3.03Å
986	I	97.2	Very high	94.1	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	12%	0.123	C	C	.	.			trans	-75.7	120.3	175.1	-62.9	-59.7	0	0	0	109.3	I973 H983 F991 M1004 Y1035 D1051 L1055	I973-I986 HydrophobicContact CD1-CD1 3.93Å; I973-I986 HydrophobicContact CD1-CG1 4.24Å; I973-I986 HydrophobicContact CD1-CG2 4.37Å; I973-I986 HydrophobicContact CG1-CD1 4.02Å; H983-I986 HydrophobicContact CB-CD1 3.61Å; H983-I986 HydrophobicContact CB-CG1 4.07Å; I986-F991 HydrophobicContact CD1-CZ 4.31Å; I986-F991 HydrophobicContact CG2-CE2 4.13Å; I986-M1004 HydrophobicContact CD1-CE 3.67Å; I986-Y1035 WeakPolarHBondContact O-CB 3.38Å; I986-D1051 HydrophobicContact CG1-CB 3.85Å; I986-L1055 HydrophobicContact CG2-CB 4.06Å
987	K	94.9	Very high	93.4	Very high	23 Å²	23	25.6 Å²	25.6	10%	0.1	17%	0.168	C	C	.	.	S	Bend	trans	-165.2	163.1	-177.1	60.1	-175.7	165.3	-173.3	0	111.5	D985 S989 N990 F991 T1032 Y1035	D985-K987 VanDerWaalsContact CG-CE 3.49Å; D985-K987 IonicContact OD1-NZ 2.65Å; D985-K987 WeakPolarHBondContact OD2-CE 3.26Å; D985-K987 IonicContact OD2-NZ 3.5Å; D985-K987 PolarHBondContact OD2-NZ 2.96Å; K987-S989 VanDerWaalsContact CD-OG 3.29Å; K987-S989 WeakPolarHBondContact CD-OG 3.41Å; K987-S989 WeakPolarHBondContact CE-OG 3.48Å; K987-S989 PolarHBondContact O-N 3.47Å; K987-N990 WeakPolarHBondContact CE-ND2 3.29Å; K987-N990 WeakPolarHBondContact CE-OD1 3.5Å; K987-N990 HydrophobicContact CG-CB 4.09Å; K987-N990 PolarHBondContact O-N 3.38Å; K987-F991 WeakPolarHBondContact O-CD2 3.38Å; K987-T1032 HydrophobicContact CD-CG2 4.26Å; K987-T1032 VanDerWaalsContact CD-OG1 3.26Å; K987-T1032 WeakPolarHBondContact CD-OG1 3.41Å; K987-T1032 WeakPolarHBondContact CE-OG1 3.38Å; K987-T1032 PolarHBondContact NZ-OG1 3.17Å; K987-Y1035 HydrophobicContact CB-CD1 4.47Å; K987-Y1035 HydrophobicContact CB-CD2 3.35Å; K987-Y1035 HydrophobicContact CB-CE2 3.48Å; K987-Y1035 VanDerWaalsContact CB-CE2 3.48Å; K987-Y1035 HydrophobicContact CB-CG 3.89Å
988	T	94.5	Very high	93	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.006	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-53.5	-33.9	178.2	51.5	0	0	0	0	114.1	V947 D948 L951 N990 Y1035 M1058 E1061 L1062	V947-T988 WeakPolarHBondContact CB-O 3Å; V947-T988 HydrophobicContact CG1-CG2 4.29Å; V947-T988 PolarHBondContact N-O 3.44Å; D948-T988 PolarHBondContact N-O 2.82Å; L951-T988 HydrophobicContact CD2-CG2 4.29Å; T988-N990 VanDerWaalsContact C-N 3.31Å; T988-N990 PolarHBondContact O-N 3.44Å; T988-Y1035 PolarHBondContact OG1-OH 2.78Å; T988-Y1035 VanDerWaalsContact OG1-OH 3.11Å; T988-M1058 HydrophobicContact CG2-CG 3.63Å; T988-M1058 HydrophobicContact CG2-SD 4.44Å; T988-E1061 WeakPolarHBondContact CG2-OE2 3.48Å; T988-L1062 HydrophobicContact CG2-CD2 4.09Å
989	S	92.6	Very high	92.8	Very high	35 Å²	35	31.9 Å²	31.9	25%	0.245	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-75.5	-15	-179.9	77.4	0	0	0	0	114.8	K987 Y1005	K987-S989 VanDerWaalsContact CD-OG 3.29Å; K987-S989 WeakPolarHBondContact CD-OG 3.41Å; K987-S989 WeakPolarHBondContact CE-OG 3.48Å; K987-S989 PolarHBondContact O-N 3.47Å; S989-Y1005 WeakPolarHBondContact O-CE1 3.49Å; S989-Y1005 VanDerWaalsContact O-CZ 3.29Å; S989-Y1005 PolarHBondContact O-OH 3.36Å
990	N	95.2	Very high	92.5	Very high	6 Å²	6	28.5 Å²	28.5	3%	0.032	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-101.8	9.4	-176.4	-72.3	10.6	0	0	0	112.4	D985 K987 T988 M1004 Y1005	D985-N990 PolarHBondContact O-ND2 3.48Å; K987-N990 WeakPolarHBondContact CE-ND2 3.29Å; K987-N990 WeakPolarHBondContact CE-OD1 3.5Å; K987-N990 HydrophobicContact CG-CB 4.09Å; K987-N990 PolarHBondContact O-N 3.38Å; T988-N990 VanDerWaalsContact C-N 3.31Å; T988-N990 PolarHBondContact O-N 3.44Å; N990-M1004 WeakPolarHBondContact O-CA 3.22Å; N990-Y1005 WeakPolarHBondContact CB-O 3.12Å; N990-Y1005 WeakPolarHBondContact O-CD1 3.39Å; N990-Y1005 PolarHBondContact O-N 3.15Å
991	F	96.6	Very high	92.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	142.7	168.6	-65.4	-83.5	0	0	0	109.9	S946 V947 C969 I986 K987 I1002 Y1003 M1004 M1058	S946-F991 CarbonylContact C-O 3.51Å; S946-F991 VanDerWaalsContact CA-O 3.23Å; S946-F991 WeakPolarHBondContact CA-O 3.2Å; S946-F991 WeakPolarHBondContact CB-O 3.49Å; V947-F991 HydrophobicContact CB-CB 4.41Å; V947-F991 HydrophobicContact CG2-CB 3.92Å; V947-F991 PolarHBondContact N-O 3.02Å; C969-F991 HydrophobicContact CB-CE1 4.25Å; C969-F991 HydrophobicContact CB-CZ 4.2Å; I986-F991 HydrophobicContact CD1-CZ 4.31Å; I986-F991 HydrophobicContact CG2-CE2 4.13Å; K987-F991 WeakPolarHBondContact O-CD2 3.38Å; F991-I1002 HydrophobicContact CB-CG2 3.96Å; F991-I1002 HydrophobicContact CD1-CG2 3.71Å; F991-I1002 HydrophobicContact CG-CG2 4.22Å; F991-Y1003 CarbonylContact C-O 3.6Å; F991-Y1003 WeakPolarHBondContact CA-O 3.4Å; F991-M1004 HydrophobicContact CD1-CB 4.01Å; F991-M1004 HydrophobicContact CE1-CB 3.86Å; F991-M1004 HydrophobicContact CE1-CE 3.52Å; F991-M1004 HydrophobicContact CE1-CG 4.16Å; F991-M1004 HydrophobicContact CZ-CE 3.45Å; F991-M1004 VanDerWaalsContact CZ-CE 3.45Å; F991-M1058 HydrophobicContact CD2-CE 3.88Å; F991-M1058 HydrophobicContact CD2-SD 3.66Å; F991-M1058 HydrophobicContact CE2-CE 3.89Å; F991-M1058 HydrophobicContact CE2-SD 3.7Å
992	A	95.2	Very high	92.5	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.008	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	159.7	176.4	0	0	0	0	0	111.7	L943 P945 I1002 Y1003 Y1005	L943-A992 HydrophobicContact CB-CB 4.05Å; L943-A992 HydrophobicContact CD1-CB 3.97Å; P945-A992 WeakPolarHBondContact O-CA 3.38Å; A992-I1002 WeakPolarHBondContact O-CA 3.37Å; A992-Y1003 PolarHBondContact N-O 3.22Å; A992-Y1003 PolarHBondContact O-N 3.14Å; A992-Y1005 HydrophobicContact CB-CD1 4.26Å; A992-Y1005 HydrophobicContact CB-CE1 3.77Å
993	V	94.4	Very high	92.6	Very high	19 Å²	19	29 Å²	29	12%	0.115	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	150.8	172.9	-64.1	0	0	0	0	111.2	G944 P945 L950 I1002 F1138	G944-V993 WeakPolarHBondContact CA-O 3.48Å; G944-V993 PolarHBondContact N-O 2.93Å; P945-V993 HydrophobicContact CG-CG2 4.06Å; P945-V993 PolarHBondContact O-N 3.15Å; L950-V993 HydrophobicContact CD1-CG1 3.87Å; L950-V993 HydrophobicContact CD1-CG2 4.4Å; V993-I1002 HydrophobicContact CG1-CD1 3.92Å; V993-F1138 HydrophobicContact CG1-CE2 4.13Å
994	G	91.9	Very high	92.7	Very high	1 Å²	1	29 Å²	29	1%	0.01	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-69.3	164.6	171.8	0	0	0	0	0	113.7	K998 R999 T1001	G994-K998 WeakPolarHBondContact CA-O 3.31Å; G994-R999 WeakPolarHBondContact O-CA 3.1Å; G994-R999 VanDerWaalsContact O-CG 3.31Å; G994-R999 WeakPolarHBondContact O-CG 3.4Å; G994-T1001 PolarHBondContact N-O 3.26Å
995	V	88.3	Confident	92.6	Very high	60 Å²	60	32 Å²	32	36%	0.364	19%	0.188	S	C	.	.	S	Bend	trans	-94.4	162.7	175.3	-63.2	0	0	0	0	112.6	L942 A997 K998	L942-V995 VanDerWaalsContact O-CG1 3.3Å; L942-V995 WeakPolarHBondContact O-CG1 3.5Å; L942-V995 VanDerWaalsContact O-CG2 3.31Å; L942-V995 WeakPolarHBondContact O-CG2 2.97Å; V995-A997 PolarHBondContact O-N 3.28Å; V995-K998 WeakPolarHBondContact O-CB 3.22Å; V995-K998 PolarHBondContact O-N 3.34Å
996	G	85.1	Confident	92.4	Very high	53 Å²	53	32.9 Å²	32.9	55%	0.546	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	54.1	-120.9	175.3	0	0	0	0	0	113.2	K998 R999	G996-K998 VanDerWaalsContact C-N 3.28Å; G996-K998 PolarHBondContact O-N 2.83Å; G996-R999 WeakPolarHBondContact O-CD 3.01Å; G996-R999 VanDerWaalsContact O-CG 3.29Å; G996-R999 WeakPolarHBondContact O-CG 3.27Å
997	A	82.9	Confident	92.1	Very high	113 Å²	113	32.9 Å²	32.9	93%	0.934	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-68.4	-21.2	177.3	0	0	0	0	0	114	V995 R999	V995-A997 PolarHBondContact O-N 3.28Å; A997-R999 VanDerWaalsContact C-N 3.31Å; A997-R999 PolarHBondContact O-N 2.94Å
998	K	87.3	Confident	91.7	Very high	71 Å²	71	31.8 Å²	31.8	31%	0.309	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-86.6	10.6	-177.3	-52.8	-161.3	-168.1	173.6	0	114.4	E941 G994 V995 G996 G1000 T1001 Y1003	E941-K998 WeakPolarHBondContact OE1-CD 3.32Å; E941-K998 WeakPolarHBondContact OE1-CE 3.3Å; E941-K998 IonicContact OE1-NZ 3.92Å; E941-K998 PolarHBondContact OE1-NZ 3.46Å; E941-K998 IonicContact OE2-NZ 3.5Å; E941-K998 PolarHBondContact OE2-NZ 3.36Å; G994-K998 WeakPolarHBondContact CA-O 3.31Å; V995-K998 WeakPolarHBondContact O-CB 3.22Å; V995-K998 PolarHBondContact O-N 3.34Å; G996-K998 VanDerWaalsContact C-N 3.28Å; G996-K998 PolarHBondContact O-N 2.83Å; K998-G1000 PolarHBondContact O-N 3.38Å; K998-G1000 VanDerWaalsContact O-N 3.09Å; K998-T1001 WeakPolarHBondContact O-CB 3.4Å; K998-T1001 PolarHBondContact O-N 3.28Å; K998-Y1003 HydrophobicContact CB-CE2 4.47Å; K998-Y1003 HydrophobicContact CD-CE2 4.36Å; K998-Y1003 VanDerWaalsContact CD-OH 3.27Å; K998-Y1003 WeakPolarHBondContact CD-OH 3.49Å
999	R	89.2	Confident	91.4	Very high	166 Å²	166	32.7 Å²	32.7	63%	0.626	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-20	-176	-79	172	175.7	178.5	0.1	115.6	G994 G996 A997 F1138	G994-R999 WeakPolarHBondContact O-CA 3.1Å; G994-R999 VanDerWaalsContact O-CG 3.31Å; G994-R999 WeakPolarHBondContact O-CG 3.4Å; G996-R999 WeakPolarHBondContact O-CD 3.01Å; G996-R999 VanDerWaalsContact O-CG 3.29Å; G996-R999 WeakPolarHBondContact O-CG 3.27Å; A997-R999 VanDerWaalsContact C-N 3.31Å; A997-R999 PolarHBondContact O-N 2.94Å; R999-F1138 WeakPolarHBondContact O-CE2 3.48Å
1000	G	88.7	Confident	91.4	Very high	18 Å²	18	31.8 Å²	31.8	19%	0.186	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-8.8	172.8	0	0	0	0	0	115	Q968 K998 F1138	Q968-G1000 PolarHBondContact NE2-O 2.81Å; K998-G1000 PolarHBondContact O-N 3.38Å; K998-G1000 VanDerWaalsContact O-N 3.09Å; G1000-F1138 VanDerWaalsContact O-CZ 3.29Å; G1000-F1138 WeakPolarHBondContact O-CZ 3.38Å
1001	T	93.3	Very high	91.2	Very high	21 Å²	21	33.3 Å²	33.3	13%	0.129	19%	0.193	C	C	.	.			trans	-97.5	129.5	-176.9	-55.2	0	0	0	0	110.4	E921 G994 K998 Y1003	E921-T1001 HydrophobicContact CG-CG2 3.97Å; G994-T1001 PolarHBondContact N-O 3.26Å; K998-T1001 WeakPolarHBondContact O-CB 3.4Å; K998-T1001 PolarHBondContact O-N 3.28Å; T1001-Y1003 HydrophobicContact CG2-CD2 4.22Å; T1001-Y1003 HydrophobicContact CG2-CE2 3.6Å
1002	I	95.5	Very high	91	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	135.8	168.1	-59.1	-55.9	0	0	0	109.5	H922 V947 I965 Q968 F991 A992 V993 F1138	H922-I1002 WeakPolarHBondContact CB-O 3.41Å; H922-I1002 PolarHBondContact ND1-O 3.2Å; V947-I1002 HydrophobicContact CG2-CD1 4.49Å; I965-I1002 HydrophobicContact CG1-CD1 4.11Å; I965-I1002 HydrophobicContact CG1-CG1 4.23Å; Q968-I1002 HydrophobicContact CB-CB 4.16Å; Q968-I1002 HydrophobicContact CB-CG1 4.36Å; F991-I1002 HydrophobicContact CB-CG2 3.96Å; F991-I1002 HydrophobicContact CD1-CG2 3.71Å; F991-I1002 HydrophobicContact CG-CG2 4.22Å; A992-I1002 WeakPolarHBondContact O-CA 3.37Å; V993-I1002 HydrophobicContact CG1-CD1 3.92Å; I1002-F1138 HydrophobicContact CD1-CE1 4.42Å; I1002-F1138 HydrophobicContact CD1-CE2 4Å; I1002-F1138 HydrophobicContact CD1-CZ 3.6Å; I1002-F1138 HydrophobicContact CG1-CZ 3.84Å
1003	Y	96.8	Very high	90.9	Very high	8 Å²	8	40.6 Å²	40.6	3%	0.031	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	133.9	176.6	-77.3	-83.9	0	0	0	110.6	E921 H922 P924 L943 F991 A992 K998 T1001	E921-Y1003 WeakPolarHBondContact O-CE1 3.21Å; E921-Y1003 PolarHBondContact O-OH 3.48Å; E921-Y1003 VanDerWaalsContact O-OH 3.12Å; H922-Y1003 WeakPolarHBondContact O-CA 3.34Å; P924-Y1003 HydrophobicContact CG-CD1 4.09Å; L943-Y1003 HydrophobicContact CD2-CD1 4.19Å; L943-Y1003 HydrophobicContact CD2-CD2 3.89Å; L943-Y1003 HydrophobicContact CD2-CG 3.69Å; F991-Y1003 CarbonylContact C-O 3.6Å; F991-Y1003 WeakPolarHBondContact CA-O 3.4Å; A992-Y1003 PolarHBondContact N-O 3.22Å; A992-Y1003 PolarHBondContact O-N 3.14Å; K998-Y1003 HydrophobicContact CB-CE2 4.47Å; K998-Y1003 HydrophobicContact CD-CE2 4.36Å; K998-Y1003 VanDerWaalsContact CD-OH 3.27Å; K998-Y1003 WeakPolarHBondContact CD-OH 3.49Å; T1001-Y1003 HydrophobicContact CG2-CD2 4.22Å; T1001-Y1003 HydrophobicContact CG2-CE2 3.6Å
1004	M	97.2	Very high	90.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	136.1	169	178.5	-174.3	-82	0	0	110.2	H922 F923 P924 T972 I973 L976 H983 I986 N990 F991 F1007	H922-M1004 PolarHBondContact O-N 2.88Å; F923-M1004 HydrophobicContact CE1-SD 4.2Å; F923-M1004 HydrophobicContact CZ-SD 4.43Å; P924-M1004 WeakPolarHBondContact CD-O 3.31Å; T972-M1004 HydrophobicContact CG2-CB 3.51Å; T972-M1004 HydrophobicContact CG2-CE 3.8Å; T972-M1004 HydrophobicContact CG2-CG 4.3Å; T972-M1004 HydrophobicContact CG2-SD 3.84Å; I973-M1004 HydrophobicContact CG1-CE 3.67Å; L976-M1004 HydrophobicContact CD2-SD 4.11Å; H983-M1004 PolarHBondContact CD2-SD 3.49Å; I986-M1004 HydrophobicContact CD1-CE 3.67Å; N990-M1004 WeakPolarHBondContact O-CA 3.22Å; F991-M1004 HydrophobicContact CD1-CB 4.01Å; F991-M1004 HydrophobicContact CE1-CB 3.86Å; F991-M1004 HydrophobicContact CE1-CE 3.52Å; F991-M1004 HydrophobicContact CE1-CG 4.16Å; F991-M1004 HydrophobicContact CZ-CE 3.45Å; F991-M1004 VanDerWaalsContact CZ-CE 3.45Å; M1004-F1007 HydrophobicContact CB-CE1 4.47Å; M1004-F1007 HydrophobicContact CG-CE1 3.68Å; M1004-F1007 HydrophobicContact CG-CZ 4.14Å; M1004-F1007 WeakPolarHBondContact O-CZ 3.4Å; M1004-F1007 HydrophobicContact SD-CE1 3.72Å
1005	Y	92.3	Very high	90.7	Very high	69 Å²	69	42.6 Å²	42.6	27%	0.271	24%	0.235	S	C	.	.			trans	-148.2	169.3	-179.8	76.6	-71	0	0	0	112.4	L943 S946 S989 N990 A992	L943-Y1005 HydrophobicContact CD1-CD1 4.12Å; L943-Y1005 HydrophobicContact CD1-CG 4.18Å; S946-Y1005 WeakPolarHBondContact CB-OH 3.47Å; S989-Y1005 WeakPolarHBondContact O-CE1 3.49Å; S989-Y1005 VanDerWaalsContact O-CZ 3.29Å; S989-Y1005 PolarHBondContact O-OH 3.36Å; N990-Y1005 WeakPolarHBondContact CB-O 3.12Å; N990-Y1005 WeakPolarHBondContact O-CD1 3.39Å; N990-Y1005 PolarHBondContact O-N 3.15Å; A992-Y1005 HydrophobicContact CB-CD1 4.26Å; A992-Y1005 HydrophobicContact CB-CE1 3.77Å
1006	D	90.5	Very high	90.6	Very high	25 Å²	25	46.2 Å²	46.2	13%	0.134	26%	0.263	C	S	.	.			trans	59.2	80.7	-165.1	-169.3	9.3	0	0	0	114.7	K894 H983 G1008	K894-D1006 IonicContact NZ-OD1 3.49Å; H983-D1006 PolarHBondContact CE1-O 2.87Å; D1006-G1008 VanDerWaalsContact C-N 3.28Å; D1006-G1008 PolarHBondContact O-N 2.97Å; D1006-G1008 PolarHBondContact OD1-N 3.25Å
1007	F	92	Very high	90.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.266	C	S	.	.			trans	-86.8	14.4	175.3	-53.8	-65.6	0	0	0	113.6	E910 V913 Y914 F923 H983 M1004 L1009 C1010	E910-F1007 HydrophobicContact CB-CB 4.36Å; E910-F1007 HydrophobicContact CG-CB 4.01Å; V913-F1007 HydrophobicContact CB-CB 3.89Å; V913-F1007 HydrophobicContact CB-CD1 4.38Å; V913-F1007 HydrophobicContact CB-CD2 3.99Å; V913-F1007 HydrophobicContact CB-CG 3.81Å; V913-F1007 HydrophobicContact CG1-CB 4.18Å; V913-F1007 HydrophobicContact CG1-CD1 3.74Å; V913-F1007 HydrophobicContact CG1-CD2 3.93Å; V913-F1007 HydrophobicContact CG1-CE1 4.1Å; V913-F1007 HydrophobicContact CG1-CE2 4.29Å; V913-F1007 HydrophobicContact CG1-CG 3.65Å; V913-F1007 HydrophobicContact CG1-CZ 4.39Å; V913-F1007 HydrophobicContact CG2-CB 3.87Å; V913-F1007 HydrophobicContact CG2-CG 4.29Å; Y914-F1007 HydrophobicContact CD1-CE2 4.02Å; Y914-F1007 HydrophobicContact CD2-CD2 4.04Å; Y914-F1007 HydrophobicContact CD2-CE2 4.32Å; Y914-F1007 HydrophobicContact CE1-CD2 4.3Å; Y914-F1007 AromaticContact CE1-CE2 3.68Å; Y914-F1007 HydrophobicContact CE1-CE2 3.68Å; Y914-F1007 AromaticContact CE2-CD2 3.77Å; Y914-F1007 HydrophobicContact CE2-CD2 3.77Å; Y914-F1007 AromaticContact CE2-CE2 4Å; Y914-F1007 HydrophobicContact CE2-CE2 4Å; Y914-F1007 HydrophobicContact CG-CD2 4.39Å; Y914-F1007 HydrophobicContact CG-CE2 4.31Å; Y914-F1007 AromaticContact CZ-CD2 3.9Å; Y914-F1007 AromaticContact CZ-CE2 3.65Å; F923-F1007 HydrophobicContact CD1-CE1 4.16Å; F923-F1007 HydrophobicContact CD1-CE2 4.32Å; F923-F1007 AromaticContact CD1-CZ 3.52Å; F923-F1007 HydrophobicContact CD1-CZ 3.52Å; F923-F1007 AromaticContact CE1-CE1 3.82Å; F923-F1007 HydrophobicContact CE1-CE1 3.82Å; F923-F1007 AromaticContact CE1-CZ 3.67Å; F923-F1007 HydrophobicContact CE1-CZ 3.67Å; H983-F1007 AromaticContact CD2-CD1 3.88Å; H983-F1007 AromaticContact NE2-CD1 3.56Å; H983-F1007 AromaticContact NE2-CE1 3.85Å; M1004-F1007 HydrophobicContact CB-CE1 4.47Å; M1004-F1007 HydrophobicContact CG-CE1 3.68Å; M1004-F1007 HydrophobicContact CG-CZ 4.14Å; M1004-F1007 WeakPolarHBondContact O-CZ 3.4Å; M1004-F1007 HydrophobicContact SD-CE1 3.72Å; F1007-L1009 PolarHBondContact O-N 2.96Å; F1007-C1010 WeakPolarHBondContact O-CB 3.43Å; F1007-C1010 PolarHBondContact O-N 3.47Å; F1007-C1010 VanDerWaalsContact O-N 3.11Å; F1007-C1010 PolarHBondContact O-SG 3.2Å
1008	G	85.6	Confident	90.9	Very high	1 Å²	1	44 Å²	44	1%	0.01	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-17.3	-168.2	0	0	0	0	0	115.4	D1006	D1006-G1008 VanDerWaalsContact C-N 3.28Å; D1006-G1008 PolarHBondContact O-N 2.97Å; D1006-G1008 PolarHBondContact OD1-N 3.25Å
1009	L	88.7	Confident	91.1	Very high	20 Å²	20	49.3 Å²	49.3	11%	0.105	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-7.8	178.8	-72	172.8	0	0	0	114.7	H983 D985 F1007 R1030	H983-L1009 CarbonylContact O-C 3.59Å; D985-L1009 HydrophobicContact CB-CB 4.41Å; D985-L1009 HydrophobicContact CB-CD1 3.74Å; F1007-L1009 PolarHBondContact O-N 2.96Å; L1009-R1030 PolarHBondContact O-NH1 3.17Å
1010	C	92.8	Very high	91.2	Very high	16 Å²	16	43.7 Å²	43.7	11%	0.108	25%	0.246	C	C	.	.			trans	-52.8	146.9	-176.4	-73.2	0	0	0	0	113.3	V913 I981 V982 H983 F1007	V913-C1010 HydrophobicContact CG2-CB 4.21Å; I981-C1010 HydrophobicContact CG2-CB 3.83Å; V982-C1010 VanDerWaalsContact O-CA 3.31Å; V982-C1010 WeakPolarHBondContact O-CA 3.44Å; H983-C1010 PolarHBondContact O-N 3.04Å; F1007-C1010 WeakPolarHBondContact O-CB 3.43Å; F1007-C1010 PolarHBondContact O-N 3.47Å; F1007-C1010 VanDerWaalsContact O-N 3.11Å; F1007-C1010 PolarHBondContact O-SG 3.2Å
1011	K	90.3	Very high	91.4	Very high	37 Å²	37	48 Å²	48	16%	0.161	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	155.7	169.8	78.2	-178.5	-164.7	-163.6	0	111.3	I981 V982 D1045 V1046	I981-K1011 CarbonylContact C-O 3.56Å; I981-K1011 WeakPolarHBondContact CA-O 3.23Å; V982-K1011 HydrophobicContact CG2-CD 4.21Å; V982-K1011 HydrophobicContact CG2-CG 3.56Å; V982-K1011 PolarHBondContact N-O 3.12Å; V982-K1011 PolarHBondContact O-N 3.4Å; K1011-D1045 IonicContact NZ-OD1 3.24Å; K1011-D1045 PolarHBondContact NZ-OD1 2.92Å; K1011-V1046 WeakPolarHBondContact CE-O 3.3Å; K1011-V1046 PolarHBondContact NZ-O 3.3Å
1012	K	92.7	Very high	91.2	Very high	133 Å²	133	52.4 Å²	52.4	58%	0.578	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	136.5	163.7	-65.3	-177.2	-179	-180	0	109.5	G980 Y1021	G980-K1012 VanDerWaalsContact O-CA 3.29Å; G980-K1012 WeakPolarHBondContact O-CA 3.46Å; K1012-Y1021 HydrophobicContact CB-CE2 4.02Å
1013	F	93.6	Very high	90.9	Very high	21 Å²	21	56.5 Å²	56.5	9%	0.092	31%	0.312	C	S	.	.			trans	-100.7	-15.8	170.3	72.7	-97.4	0	0	0	112.9	H977 G980 V982 V1020 Y1021 R1048	H977-F1013 WeakPolarHBondContact O-CE1 3.28Å; H977-F1013 WeakPolarHBondContact O-CZ 3.31Å; G980-F1013 VanDerWaalsContact C-CD1 3.49Å; G980-F1013 WeakPolarHBondContact O-CD1 3.42Å; G980-F1013 PolarHBondContact O-N 2.65Å; V982-F1013 HydrophobicContact CG1-CB 4.28Å; V982-F1013 HydrophobicContact CG1-CD1 3.68Å; V982-F1013 HydrophobicContact CG1-CE1 4.47Å; V982-F1013 HydrophobicContact CG1-CG 4.28Å; V982-F1013 HydrophobicContact CG2-CB 4.41Å; F1013-V1020 HydrophobicContact CD2-CG2 4.32Å; F1013-V1020 WeakPolarHBondContact O-CA 3.36Å; F1013-Y1021 VanDerWaalsContact C-CD2 3.46Å; F1013-Y1021 WeakPolarHBondContact O-CD2 3.43Å; F1013-Y1021 PolarHBondContact O-N 3.31Å; F1013-R1048 HydrophobicContact CD1-CG 4.11Å; F1013-R1048 HydrophobicContact CE1-CG 4.1Å; F1013-R1048 HydrophobicContact CG-CG 4.37Å; F1013-R1048 HydrophobicContact CZ-CG 4.41Å
1014	C	92.3	Very high	90.3	Very high	12 Å²	12	60.5 Å²	60.5	8%	0.081	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-138.4	165.3	-179.9	68.1	0	0	0	0	113.4	G980 R1019 Y1021	G980-C1014 VanDerWaalsContact CA-SG 3.59Å; C1014-R1019 CarbonylContact C-O 3.56Å; C1014-R1019 WeakPolarHBondContact CA-O 3.49Å; C1014-R1019 WeakPolarHBondContact CB-O 3.28Å; C1014-Y1021 VanDerWaalsContact C-CE2 3.4Å; C1014-Y1021 VanDerWaalsContact O-CE2 3.3Å; C1014-Y1021 WeakPolarHBondContact O-CE2 3.39Å; C1014-Y1021 PolarHBondContact O-OH 3.09Å
1015	D	90.1	Very high	89.7	Confident	50 Å²	50	70.7 Å²	70.7	27%	0.267	37%	0.371	S	S	.	.			trans	-77.1	-176.6	167.5	72.7	10.8	0	0	0	112.7	A1017 G1018 R1019 Y1021	D1015-A1017 PolarHBondContact O-N 3.42Å; D1015-A1017 VanDerWaalsContact OD1-C 3.27Å; D1015-A1017 VanDerWaalsContact OD1-CA 3.3Å; D1015-A1017 WeakPolarHBondContact OD1-CA 3.14Å; D1015-A1017 WeakPolarHBondContact OD1-CB 3.42Å; D1015-A1017 PolarHBondContact OD1-N 2.84Å; D1015-G1018 PolarHBondContact O-N 2.62Å; D1015-G1018 PolarHBondContact OD1-N 3.3Å; D1015-R1019 PolarHBondContact N-O 2.93Å; D1015-R1019 PolarHBondContact OD1-N 3.09Å; D1015-Y1021 HydrophobicContact CB-CE1 4.24Å
1016	S	85.3	Confident	89.3	Confident	136 Å²	136	78.6 Å²	78.6	95%	0.951	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-9.8	177.2	46.7	0	0	0	0	114.5
1017	A	88.1	Confident	89.1	Confident	73 Å²	73	78.7 Å²	78.7	60%	0.603	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	7	171.1	0	0	0	0	0	112.2	D1015 R1019	D1015-A1017 PolarHBondContact O-N 3.42Å; D1015-A1017 VanDerWaalsContact OD1-C 3.27Å; D1015-A1017 VanDerWaalsContact OD1-CA 3.3Å; D1015-A1017 WeakPolarHBondContact OD1-CA 3.14Å; D1015-A1017 WeakPolarHBondContact OD1-CB 3.42Å; D1015-A1017 PolarHBondContact OD1-N 2.84Å; A1017-R1019 VanDerWaalsContact C-N 3.3Å; A1017-R1019 HydrophobicContact CB-CG 4.33Å; A1017-R1019 PolarHBondContact O-N 3.4Å
1018	G	86.8	Confident	88.7	Confident	47 Å²	47	85.7 Å²	85.7	49%	0.485	44%	0.435	S	S	.	.			trans	78.5	5.7	179.8	0	0	0	0	0	114.9	D1015 V1020	D1015-G1018 PolarHBondContact O-N 2.62Å; D1015-G1018 PolarHBondContact OD1-N 3.3Å; G1018-V1020 PolarHBondContact O-N 3.29Å
1019	R	90.8	Very high	88.9	Confident	182 Å²	182	89.3 Å²	89.3	69%	0.687	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-75.1	124.9	-178.9	-56.4	174.8	175.6	175.9	-2.1	109.7	C1014 D1015 A1017	C1014-R1019 CarbonylContact C-O 3.56Å; C1014-R1019 WeakPolarHBondContact CA-O 3.49Å; C1014-R1019 WeakPolarHBondContact CB-O 3.28Å; D1015-R1019 PolarHBondContact N-O 2.93Å; D1015-R1019 PolarHBondContact OD1-N 3.09Å; A1017-R1019 VanDerWaalsContact C-N 3.3Å; A1017-R1019 HydrophobicContact CB-CG 4.33Å; A1017-R1019 PolarHBondContact O-N 3.4Å
1020	V	91.9	Very high	88.6	Confident	49 Å²	49	91.5 Å²	91.5	30%	0.297	46%	0.458	S	S	.	.	B	Isolated β-bridge	trans	-70.3	136.6	-178	-177	0	0	0	0	110.2	F1013 G1018 F1110	F1013-V1020 HydrophobicContact CD2-CG2 4.32Å; F1013-V1020 WeakPolarHBondContact O-CA 3.36Å; G1018-V1020 PolarHBondContact O-N 3.29Å; V1020-F1110 HydrophobicContact CG1-CE1 4.17Å
1021	Y	91.8	Very high	88.3	Confident	108 Å²	108	91.5 Å²	91.5	42%	0.424	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-71.5	141.8	176.3	-64.4	-56.8	0	0	0	111.6	K1012 F1013 C1014 D1015	K1012-Y1021 HydrophobicContact CB-CE2 4.02Å; F1013-Y1021 VanDerWaalsContact C-CD2 3.46Å; F1013-Y1021 WeakPolarHBondContact O-CD2 3.43Å; F1013-Y1021 PolarHBondContact O-N 3.31Å; C1014-Y1021 VanDerWaalsContact C-CE2 3.4Å; C1014-Y1021 VanDerWaalsContact O-CE2 3.3Å; C1014-Y1021 WeakPolarHBondContact O-CE2 3.39Å; C1014-Y1021 PolarHBondContact O-OH 3.09Å; D1015-Y1021 HydrophobicContact CB-CE1 4.24Å
1022	P	89.5	Confident	88.3	Confident	114 Å²	114	91.6 Å²	91.6	74%	0.74	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-64.6	155.1	174.6	28.6	-35.4	0	0	0	111.7
1023	T	89.1	Confident	88.3	Confident	86 Å²	86	87.3 Å²	87.3	53%	0.528	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-61.2	135.3	179.4	47.2	0	0	0	0	111.9	D1045 F1110	T1023-D1045 HydrophobicContact CG2-CB 4.2Å; T1023-F1110 HydrophobicContact CG2-CD1 3.88Å; T1023-F1110 HydrophobicContact CG2-CD2 4Å; T1023-F1110 HydrophobicContact CG2-CE1 3.66Å; T1023-F1110 HydrophobicContact CG2-CE2 3.81Å; T1023-F1110 HydrophobicContact CG2-CG 4.05Å; T1023-F1110 HydrophobicContact CG2-CZ 3.63Å
1024	R	85.6	Confident	88.3	Confident	91 Å²	91	88.4 Å²	88.4	34%	0.343	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-69.2	137.3	175	-66.5	172.5	-67.3	152.4	4.6	110	R1026 P1027 D1045	R1024-R1026 PolarHBondContact O-N 3.05Å; R1024-R1026 VanDerWaalsContact O-N 3.14Å; R1024-P1027 HydrophobicContact CB-CG 4.39Å; R1024-P1027 VanDerWaalsContact O-CD 3.22Å; R1024-P1027 WeakPolarHBondContact O-CD 3.39Å; R1024-P1027 VanDerWaalsContact O-CG 3.31Å; R1024-P1027 WeakPolarHBondContact O-CG 3.29Å; R1024-D1045 VanDerWaalsContact CB-OD2 3.3Å; R1024-D1045 WeakPolarHBondContact CB-OD2 3.44Å; R1024-D1045 VanDerWaalsContact CG-OD2 3.23Å; R1024-D1045 WeakPolarHBondContact CG-OD2 3.32Å; R1024-D1045 IonicContact CZ-OD1 3.16Å; R1024-D1045 IonicContact CZ-OD2 3.95Å; R1024-D1045 PolarHBondContact N-OD2 2.89Å; R1024-D1045 IonicContact NE-OD1 2.7Å; R1024-D1045 PolarHBondContact NE-OD1 2.9Å; R1024-D1045 IonicContact NE-OD2 2.87Å; R1024-D1045 PolarHBondContact NE-OD2 3.45Å; R1024-D1045 IonicContact NH2-OD1 2.63Å; R1024-D1045 PolarHBondContact NH2-OD1 3.04Å; R1024-D1045 IonicContact NH2-OD2 3.78Å
1025	K	83.8	Confident	88.4	Confident	215 Å²	215	88.7 Å²	88.7	94%	0.935	46%	0.455	S	S	*	.	S	Bend	trans	-60.2	-24.7	-178.6	-68	-171.7	177.8	-176	0	115.1
1026	R	84.7	Confident	88.5	Confident	235 Å²	235	86.6 Å²	86.6	89%	0.887	45%	0.445	S	S	*	.	S	Bend	trans	-144.2	82.5	174.9	-67.4	-173.1	-179.8	174.5	-0.2	109.3	R1024 Q1028	R1024-R1026 PolarHBondContact O-N 3.05Å; R1024-R1026 VanDerWaalsContact O-N 3.14Å; R1026-Q1028 PolarHBondContact O-N 2.77Å
1027	P	85.6	Confident	88.9	Confident	27 Å²	27	80.1 Å²	80.1	18%	0.175	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-66	125.2	175.7	-18.2	34.2	0	0	0	109.9	R1024 G1043 D1045	R1024-P1027 HydrophobicContact CB-CG 4.39Å; R1024-P1027 VanDerWaalsContact O-CD 3.22Å; R1024-P1027 WeakPolarHBondContact O-CD 3.39Å; R1024-P1027 VanDerWaalsContact O-CG 3.31Å; R1024-P1027 WeakPolarHBondContact O-CG 3.29Å; P1027-G1043 WeakPolarHBondContact CD-O 3.29Å; P1027-G1043 VanDerWaalsContact CG-O 3.23Å; P1027-G1043 WeakPolarHBondContact CG-O 3.15Å; P1027-D1045 HydrophobicContact CB-CB 4.25Å; P1027-D1045 HydrophobicContact CG-CB 3.83Å
1028	Q	84.4	Confident	89.2	Confident	147 Å²	147	78.4 Å²	78.4	69%	0.687	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-72.3	137.5	164.2	-71.3	173.8	-18.8	0	0	109.1	R1026	R1026-Q1028 PolarHBondContact O-N 2.77Å
1029	F	89.3	Confident	89.5	Confident	76 Å²	76	78.7 Å²	78.7	33%	0.333	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-53.9	138.1	171.9	178.8	-98	0	0	0	110.8	G1031 L1033 A1036 V1040 Q1041 F1075	F1029-G1031 WeakPolarHBondContact CE1-O 3.46Å; F1029-G1031 WeakPolarHBondContact CZ-O 3.47Å; F1029-L1033 HydrophobicContact CZ-CD1 4.3Å; F1029-A1036 HydrophobicContact CE2-CB 3.71Å; F1029-A1036 HydrophobicContact CZ-CB 3.78Å; F1029-V1040 HydrophobicContact CD2-CG1 3.99Å; F1029-V1040 HydrophobicContact CE2-CG1 4.18Å; F1029-Q1041 HydrophobicContact CE2-CB 4.36Å; F1029-F1075 HydrophobicContact CD1-CE2 4.35Å; F1029-F1075 AromaticContact CD2-CE2 3.98Å; F1029-F1075 HydrophobicContact CD2-CE2 3.98Å; F1029-F1075 HydrophobicContact CD2-CZ 4.2Å; F1029-F1075 HydrophobicContact CE1-CE2 4.5Å; F1029-F1075 HydrophobicContact CE2-CE2 4.15Å; F1029-F1075 HydrophobicContact CG-CE2 4.1Å; F1029-F1075 HydrophobicContact CZ-CE2 4.42Å
1030	R	82.8	Confident	89.5	Confident	66 Å²	66	70.4 Å²	70.4	25%	0.249	34%	0.342	C	S	.	.			trans	-143	150.8	176	-70.5	-171.2	178.2	-166.1	-0.1	109.4	C984 L1009	C984-R1030 HydrophobicContact CB-CB 4.39Å; L1009-R1030 PolarHBondContact O-NH1 3.17Å
1031	G	86.3	Confident	89.5	Confident	16 Å²	16	68.3 Å²	68.3	17%	0.165	33%	0.329	C	S	.	.	S	Bend	trans	93.2	176.4	-176.9	0	0	0	0	0	113.1	C984 D985 F1029	C984-G1031 WeakPolarHBondContact O-CA 3.46Å; C984-G1031 PolarHBondContact O-N 3.01Å; D985-G1031 WeakPolarHBondContact OD1-CA 3.43Å; F1029-G1031 WeakPolarHBondContact CE1-O 3.46Å; F1029-G1031 WeakPolarHBondContact CZ-O 3.47Å
1032	T	90.3	Very high	89.4	Confident	40 Å²	40	66.5 Å²	66.5	25%	0.245	33%	0.329	C	S	.	.			trans	-84.7	127.6	-175.7	-59.4	0	0	0	0	110.6	D985 K987 T1034 Y1035 A1036	D985-T1032 VanDerWaalsContact OD1-CB 3.29Å; D985-T1032 WeakPolarHBondContact OD1-CB 3.41Å; D985-T1032 PolarHBondContact OD1-N 3.01Å; D985-T1032 PolarHBondContact OD1-OG1 3.03Å; K987-T1032 HydrophobicContact CD-CG2 4.26Å; K987-T1032 VanDerWaalsContact CD-OG1 3.26Å; K987-T1032 WeakPolarHBondContact CD-OG1 3.41Å; K987-T1032 WeakPolarHBondContact CE-OG1 3.38Å; K987-T1032 PolarHBondContact NZ-OG1 3.17Å; T1032-T1034 PolarHBondContact O-N 3.14Å; T1032-T1034 VanDerWaalsContact O-N 3.08Å; T1032-Y1035 HydrophobicContact CG2-CD2 4.04Å; T1032-Y1035 HydrophobicContact CG2-CE2 4.38Å; T1032-Y1035 PolarHBondContact O-N 2.91Å; T1032-A1036 WeakPolarHBondContact O-CB 3.45Å; T1032-A1036 PolarHBondContact O-N 3Å
1033	L	92	Very high	89.4	Confident	42 Å²	42	62.9 Å²	62.9	22%	0.22	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-38.6	-173	-176.8	61.8	0	0	0	113.6	F1029 Y1035 Q1041 F1075 V1078 K1082	F1029-L1033 HydrophobicContact CZ-CD1 4.3Å; L1033-Y1035 PolarHBondContact O-N 2.95Å; L1033-Q1041 HydrophobicContact CD1-CG 4.23Å; L1033-F1075 HydrophobicContact CD1-CD2 3.53Å; L1033-F1075 HydrophobicContact CD1-CE2 3.89Å; L1033-F1075 HydrophobicContact CD1-CG 4.18Å; L1033-F1075 HydrophobicContact CD2-CD2 4.49Å; L1033-V1078 HydrophobicContact CD1-CB 4.47Å; L1033-V1078 HydrophobicContact CD1-CG1 4.39Å; L1033-V1078 HydrophobicContact CD2-CB 4.43Å; L1033-V1078 HydrophobicContact CD2-CG2 3.94Å; L1033-V1078 HydrophobicContact CG-CB 4.23Å; L1033-V1078 HydrophobicContact CG-CG1 4.16Å; L1033-V1078 HydrophobicContact CG-CG2 4.06Å; L1033-K1082 PolarHBondContact O-NZ 3.28Å
1034	T	92.7	Very high	89.4	Confident	45 Å²	45	64.2 Å²	64.2	28%	0.276	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-43.5	178	-42.3	0	0	0	0	112.9	T1032 L1067 W1069 K1082	T1032-T1034 PolarHBondContact O-N 3.14Å; T1032-T1034 VanDerWaalsContact O-N 3.08Å; T1034-L1067 HydrophobicContact CG2-CD1 3.88Å; T1034-W1069 PolarHBondContact O-NE1 3.18Å; T1034-K1082 VanDerWaalsContact O-CE 3.32Å; T1034-K1082 WeakPolarHBondContact O-CE 3.39Å; T1034-K1082 PolarHBondContact O-NZ 3.02Å
1035	Y	94.8	Very high	89.7	Confident	17 Å²	17	60.3 Å²	60.3	7%	0.067	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-19.5	-171.1	-51.5	-85.3	0	0	0	114.3	I986 K987 T988 T1032 L1033 S1037 S1054 Y1057 E1061 L1067	I986-Y1035 WeakPolarHBondContact O-CB 3.38Å; K987-Y1035 HydrophobicContact CB-CD1 4.47Å; K987-Y1035 HydrophobicContact CB-CD2 3.35Å; K987-Y1035 HydrophobicContact CB-CE2 3.48Å; K987-Y1035 VanDerWaalsContact CB-CE2 3.48Å; K987-Y1035 HydrophobicContact CB-CG 3.89Å; T988-Y1035 PolarHBondContact OG1-OH 2.78Å; T988-Y1035 VanDerWaalsContact OG1-OH 3.11Å; T1032-Y1035 HydrophobicContact CG2-CD2 4.04Å; T1032-Y1035 HydrophobicContact CG2-CE2 4.38Å; T1032-Y1035 PolarHBondContact O-N 2.91Å; L1033-Y1035 PolarHBondContact O-N 2.95Å; Y1035-S1037 PolarHBondContact O-N 2.94Å; Y1035-S1054 WeakPolarHBondContact O-CA 3.28Å; Y1035-S1054 WeakPolarHBondContact O-CB 3.46Å; Y1035-S1054 PolarHBondContact O-OG 3.3Å; Y1035-S1054 VanDerWaalsContact O-OG 3.12Å; Y1035-Y1057 VanDerWaalsContact O-CD2 3.3Å; Y1035-Y1057 WeakPolarHBondContact O-CD2 3.34Å; Y1035-E1061 VanDerWaalsContact CE1-OE2 3.27Å; Y1035-E1061 WeakPolarHBondContact CE1-OE2 3.45Å; Y1035-E1061 VanDerWaalsContact CZ-OE2 3.3Å; Y1035-E1061 PolarHBondContact OH-OE1 2.89Å; Y1035-E1061 PolarHBondContact OH-OE2 3.4Å; Y1035-L1067 HydrophobicContact CD1-CD1 4.2Å; Y1035-L1067 HydrophobicContact CE1-CD1 4.04Å
1036	A	93.6	Very high	90.1	Very high	7 Å²	7	50.4 Å²	50.4	6%	0.058	26%	0.256	C	S	.	.	S	Bend	trans	-57.4	136.5	179.6	0	0	0	0	0	111.4	F1029 T1032 K1082	F1029-A1036 HydrophobicContact CE2-CB 3.71Å; F1029-A1036 HydrophobicContact CZ-CB 3.78Å; T1032-A1036 WeakPolarHBondContact O-CB 3.45Å; T1032-A1036 PolarHBondContact O-N 3Å; A1036-K1082 PolarHBondContact O-NZ 2.89Å
1037	S	94	Very high	90.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.215	C	C	.	.			trans	-64.8	155.8	-177.8	82.8	0	0	0	0	112.4	Y1035 N1039 V1040 Q1041 D1050	Y1035-S1037 PolarHBondContact O-N 2.94Å; S1037-N1039 PolarHBondContact O-N 2.85Å; S1037-N1039 VanDerWaalsContact O-N 3.16Å; S1037-N1039 PolarHBondContact OG-N 2.72Å; S1037-V1040 PolarHBondContact O-N 3.35Å; S1037-V1040 PolarHBondContact OG-N 3.47Å; S1037-Q1041 PolarHBondContact O-N 3.47Å; S1037-D1050 WeakPolarHBondContact CB-OD1 3.44Å; S1037-D1050 VanDerWaalsContact OG-CG 3.26Å; S1037-D1050 PolarHBondContact OG-OD1 3.34Å
1038	V	93.3	Very high	91	Very high	36 Å²	36	39.3 Å²	39.3	22%	0.218	21%	0.211	C	C	.	.	H	α-helix	trans	-54.4	-34	175.5	176.8	0	0	0	0	111.4	Q1041 T1042 L1079 K1082 I1083	V1038-Q1041 PolarHBondContact O-N 3.01Å; V1038-T1042 HydrophobicContact CG1-CG2 4.22Å; V1038-T1042 WeakPolarHBondContact O-CB 3.45Å; V1038-T1042 VanDerWaalsContact O-CG2 3.32Å; V1038-T1042 WeakPolarHBondContact O-CG2 3.33Å; V1038-T1042 PolarHBondContact O-N 3.27Å; V1038-T1042 PolarHBondContact O-OG1 3.38Å; V1038-L1079 HydrophobicContact CG1-CD1 4.06Å; V1038-K1082 HydrophobicContact CG2-CB 3.86Å; V1038-K1082 HydrophobicContact CG2-CD 4.27Å; V1038-I1083 HydrophobicContact CG1-CG1 4.32Å
1039	N	92.6	Very high	91.6	Very high	53 Å²	53	32.3 Å²	32.3	28%	0.283	18%	0.178	S	C	.	.	H	α-helix	trans	-58.3	-53.1	174.6	-56.7	-27.7	0	0	0	111.3	S1037 Q1041 T1042 G1043 H1044 D1050 R1053	S1037-N1039 PolarHBondContact O-N 2.85Å; S1037-N1039 VanDerWaalsContact O-N 3.16Å; S1037-N1039 PolarHBondContact OG-N 2.72Å; N1039-Q1041 PolarHBondContact O-N 3.34Å; N1039-T1042 PolarHBondContact O-N 2.74Å; N1039-T1042 PolarHBondContact O-OG1 2.73Å; N1039-G1043 PolarHBondContact O-N 2.74Å; N1039-H1044 HydrophobicContact CB-CB 4.04Å; N1039-H1044 VanDerWaalsContact O-CB 3.26Å; N1039-H1044 WeakPolarHBondContact O-CB 3.26Å; N1039-H1044 PolarHBondContact O-N 2.85Å; N1039-H1044 PolarHBondContact O-ND1 3.42Å; N1039-H1044 VanDerWaalsContact O-ND1 3.14Å; N1039-D1050 PolarHBondContact ND2-OD1 3.46Å; N1039-R1053 PolarHBondContact ND2-NH1 3.1Å
1040	V	92.3	Very high	91.9	Very high	8 Å²	8	28.9 Å²	28.9	5%	0.048	16%	0.164	C	C	.	.	H	α-helix	trans	-66.7	-39	-178.6	-177.7	0	0	0	0	110.9	F1029 S1037 T1042 G1043 V1046 D1050	F1029-V1040 HydrophobicContact CD2-CG1 3.99Å; F1029-V1040 HydrophobicContact CE2-CG1 4.18Å; S1037-V1040 PolarHBondContact O-N 3.35Å; S1037-V1040 PolarHBondContact OG-N 3.47Å; V1040-T1042 VanDerWaalsContact C-N 3.28Å; V1040-T1042 PolarHBondContact O-N 3.13Å; V1040-G1043 PolarHBondContact O-N 3.45Å; V1040-V1046 HydrophobicContact CG1-CG2 3.98Å; V1040-V1046 HydrophobicContact CG2-CB 4.13Å; V1040-V1046 HydrophobicContact CG2-CG1 4.01Å; V1040-V1046 HydrophobicContact CG2-CG2 3.8Å; V1040-D1050 HydrophobicContact CG2-CB 4.09Å
1041	Q	90.7	Very high	92.6	Very high	6 Å²	6	25.8 Å²	25.8	3%	0.028	15%	0.152	C	C	.	.	H	α-helix	trans	-69.8	-22.9	177.8	-163.6	169	-12.4	0	0	113.1	F1029 L1033 S1037 V1038 N1039 F1075 L1079	F1029-Q1041 HydrophobicContact CE2-CB 4.36Å; L1033-Q1041 HydrophobicContact CD1-CG 4.23Å; S1037-Q1041 PolarHBondContact O-N 3.47Å; V1038-Q1041 PolarHBondContact O-N 3.01Å; N1039-Q1041 PolarHBondContact O-N 3.34Å; Q1041-F1075 HydrophobicContact CB-CZ 4.47Å; Q1041-F1075 HydrophobicContact CG-CD1 4.47Å; Q1041-F1075 HydrophobicContact CG-CE1 3.81Å; Q1041-F1075 HydrophobicContact CG-CE2 4.09Å; Q1041-F1075 HydrophobicContact CG-CZ 3.59Å; Q1041-F1075 PolarHBondContact NE2-O 2.98Å; Q1041-F1075 WeakPolarHBondContact O-CE1 3.43Å; Q1041-F1075 VanDerWaalsContact O-CZ 3.29Å; Q1041-F1075 WeakPolarHBondContact O-CZ 3.27Å; Q1041-L1079 HydrophobicContact CB-CD1 4.35Å; Q1041-L1079 HydrophobicContact CG-CB 4.45Å; Q1041-L1079 HydrophobicContact CG-CD1 4.15Å
1042	T	90.6	Very high	93.1	Very high	70 Å²	70	25 Å²	25	43%	0.429	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	5.5	172.6	52	0	0	0	0	113.8	V1038 N1039 V1040 H1044 L1079	V1038-T1042 HydrophobicContact CG1-CG2 4.22Å; V1038-T1042 WeakPolarHBondContact O-CB 3.45Å; V1038-T1042 VanDerWaalsContact O-CG2 3.32Å; V1038-T1042 WeakPolarHBondContact O-CG2 3.33Å; V1038-T1042 PolarHBondContact O-N 3.27Å; V1038-T1042 PolarHBondContact O-OG1 3.38Å; N1039-T1042 PolarHBondContact O-N 2.74Å; N1039-T1042 PolarHBondContact O-OG1 2.73Å; V1040-T1042 VanDerWaalsContact C-N 3.28Å; V1040-T1042 PolarHBondContact O-N 3.13Å; T1042-H1044 PolarHBondContact OG1-CE1 2.66Å; T1042-H1044 PolarHBondContact OG1-ND1 3.12Å; T1042-L1079 HydrophobicContact CG2-CD1 4.03Å; T1042-L1079 HydrophobicContact CG2-CD2 4.2Å
1043	G	88	Confident	93.4	Very high	37 Å²	37	23.9 Å²	23.9	38%	0.381	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.8	14.9	175	0	0	0	0	0	115.5	P1027 N1039 V1040	P1027-G1043 WeakPolarHBondContact CD-O 3.29Å; P1027-G1043 VanDerWaalsContact CG-O 3.23Å; P1027-G1043 WeakPolarHBondContact CG-O 3.15Å; N1039-G1043 PolarHBondContact O-N 2.74Å; V1040-G1043 PolarHBondContact O-N 3.45Å
1044	H	90.8	Very high	93.6	Very high	114 Å²	114	22.2 Å²	22.2	53%	0.528	13%	0.127	S	C	.	.	P	Polyproline II helix	trans	-75.5	159.1	167.1	-58.8	83	0	0	0	111.1	N1039 T1042	N1039-H1044 HydrophobicContact CB-CB 4.04Å; N1039-H1044 VanDerWaalsContact O-CB 3.26Å; N1039-H1044 WeakPolarHBondContact O-CB 3.26Å; N1039-H1044 PolarHBondContact O-N 2.85Å; N1039-H1044 PolarHBondContact O-ND1 3.42Å; N1039-H1044 VanDerWaalsContact O-ND1 3.14Å; T1042-H1044 PolarHBondContact OG1-CE1 2.66Å; T1042-H1044 PolarHBondContact OG1-ND1 3.12Å
1045	D	90.6	Very high	93.9	Very high	10 Å²	10	20.1 Å²	20.1	5%	0.053	11%	0.114	C	C	.	.	P	Polyproline II helix	trans	-82.4	132.6	179.6	-151.7	-21.9	0	0	0	111.1	K1011 T1023 R1024 P1027 S1047 F1110	K1011-D1045 IonicContact NZ-OD1 3.24Å; K1011-D1045 PolarHBondContact NZ-OD1 2.92Å; T1023-D1045 HydrophobicContact CG2-CB 4.2Å; R1024-D1045 VanDerWaalsContact CB-OD2 3.3Å; R1024-D1045 WeakPolarHBondContact CB-OD2 3.44Å; R1024-D1045 VanDerWaalsContact CG-OD2 3.23Å; R1024-D1045 WeakPolarHBondContact CG-OD2 3.32Å; R1024-D1045 IonicContact CZ-OD1 3.16Å; R1024-D1045 IonicContact CZ-OD2 3.95Å; R1024-D1045 PolarHBondContact N-OD2 2.89Å; R1024-D1045 IonicContact NE-OD1 2.7Å; R1024-D1045 PolarHBondContact NE-OD1 2.9Å; R1024-D1045 IonicContact NE-OD2 2.87Å; R1024-D1045 PolarHBondContact NE-OD2 3.45Å; R1024-D1045 IonicContact NH2-OD1 2.63Å; R1024-D1045 PolarHBondContact NH2-OD1 3.04Å; R1024-D1045 IonicContact NH2-OD2 3.78Å; P1027-D1045 HydrophobicContact CB-CB 4.25Å; P1027-D1045 HydrophobicContact CG-CB 3.83Å; D1045-S1047 PolarHBondContact O-N 3.46Å; D1045-F1110 HydrophobicContact CB-CE2 3.94Å; D1045-F1110 VanDerWaalsContact O-CD2 3.3Å; D1045-F1110 WeakPolarHBondContact O-CD2 3.39Å; D1045-F1110 VanDerWaalsContact O-CE2 3.27Å; D1045-F1110 WeakPolarHBondContact O-CE2 3.25Å
1046	V	92.4	Very high	93.9	Very high	6 Å²	6	19.3 Å²	19.3	4%	0.036	11%	0.111	C	C	.	.	P	Polyproline II helix	trans	-58.1	128.9	-173.4	-163	0	0	0	0	112.1	C984 K1011 V1040 D1050	C984-V1046 HydrophobicContact CB-CG1 4.3Å; C984-V1046 HydrophobicContact CB-CG2 4.39Å; K1011-V1046 WeakPolarHBondContact CE-O 3.3Å; K1011-V1046 PolarHBondContact NZ-O 3.3Å; V1040-V1046 HydrophobicContact CG1-CG2 3.98Å; V1040-V1046 HydrophobicContact CG2-CB 4.13Å; V1040-V1046 HydrophobicContact CG2-CG1 4.01Å; V1040-V1046 HydrophobicContact CG2-CG2 3.8Å; V1046-D1050 HydrophobicContact CG1-CB 3.94Å
1047	S	94.2	Very high	94.1	Very high	4 Å²	4	19.1 Å²	19.1	3%	0.028	11%	0.109	C	C	.	.			trans	-108.7	172	175.1	72	0	0	0	0	113	D1045 G1049 D1050 F1110	D1045-S1047 PolarHBondContact O-N 3.46Å; S1047-G1049 PolarHBondContact O-N 2.9Å; S1047-G1049 PolarHBondContact OG-N 2.88Å; S1047-G1049 VanDerWaalsContact OG-N 3.17Å; S1047-D1050 WeakPolarHBondContact CB-OD2 3.45Å; S1047-D1050 PolarHBondContact N-OD2 2.84Å; S1047-D1050 PolarHBondContact O-N 3.34Å; S1047-D1050 PolarHBondContact OG-N 3.35Å; S1047-D1050 PolarHBondContact OG-OD2 2.97Å; S1047-F1110 WeakPolarHBondContact CB-O 3.4Å
1048	R	96	Very high	94.2	Very high	26 Å²	26	19.1 Å²	19.1	10%	0.098	11%	0.109	C	C	.	.	H	α-helix	trans	-57.7	-30.3	167.7	-66.1	176.1	-65.2	-138.3	-8.8	112.6	H977 V982 F1013 D1050 D1111 E1112 P1114	H977-R1048 PolarHBondContact CE1-O 3.19Å; V982-R1048 HydrophobicContact CG1-CB 4.32Å; V982-R1048 HydrophobicContact CG1-CG 3.64Å; F1013-R1048 HydrophobicContact CD1-CG 4.11Å; F1013-R1048 HydrophobicContact CE1-CG 4.1Å; F1013-R1048 HydrophobicContact CG-CG 4.37Å; F1013-R1048 HydrophobicContact CZ-CG 4.41Å; R1048-D1050 VanDerWaalsContact C-N 3.32Å; R1048-D1111 PolarHBondContact NH2-O 2.83Å; R1048-E1112 PolarHBondContact NE-O 3.36Å; R1048-E1112 PolarHBondContact NH2-O 3.24Å; R1048-P1114 HydrophobicContact CB-CG 3.92Å
1049	G	96	Very high	94.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-70.5	-27.5	175.1	0	0	0	0	0	112.8	S1047 L1052 R1053	S1047-G1049 PolarHBondContact O-N 2.9Å; S1047-G1049 PolarHBondContact OG-N 2.88Å; S1047-G1049 VanDerWaalsContact OG-N 3.17Å; G1049-L1052 PolarHBondContact O-N 3.43Å; G1049-R1053 WeakPolarHBondContact O-CG 3.37Å; G1049-R1053 PolarHBondContact O-N 3.37Å
1050	D	96.1	Very high	94.5	Very high	4 Å²	4	16.6 Å²	16.6	2%	0.021	9%	0.091	C	C	.	.	H	α-helix	trans	-78.6	-32.5	-177.8	-61	-58.8	0	0	0	113.1	S1037 N1039 V1040 V1046 S1047 R1048 L1052 R1053 S1054	S1037-D1050 WeakPolarHBondContact CB-OD1 3.44Å; S1037-D1050 VanDerWaalsContact OG-CG 3.26Å; S1037-D1050 PolarHBondContact OG-OD1 3.34Å; N1039-D1050 PolarHBondContact ND2-OD1 3.46Å; V1040-D1050 HydrophobicContact CG2-CB 4.09Å; V1046-D1050 HydrophobicContact CG1-CB 3.94Å; S1047-D1050 WeakPolarHBondContact CB-OD2 3.45Å; S1047-D1050 PolarHBondContact N-OD2 2.84Å; S1047-D1050 PolarHBondContact O-N 3.34Å; S1047-D1050 PolarHBondContact OG-N 3.35Å; S1047-D1050 PolarHBondContact OG-OD2 2.97Å; R1048-D1050 VanDerWaalsContact C-N 3.32Å; D1050-L1052 VanDerWaalsContact C-N 3.26Å; D1050-L1052 PolarHBondContact O-N 2.99Å; D1050-R1053 PolarHBondContact O-N 3.12Å; D1050-R1053 IonicContact OD1-CZ 3.67Å; D1050-R1053 IonicContact OD1-NH1 2.89Å; D1050-R1053 PolarHBondContact OD1-NH1 3.38Å; D1050-R1053 IonicContact OD2-NH1 3.24Å; D1050-S1054 WeakPolarHBondContact O-CB 3.28Å; D1050-S1054 PolarHBondContact O-N 2.96Å; D1050-S1054 PolarHBondContact O-OG 3.41Å
1051	D	97.3	Very high	94.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-62.6	-35	166.8	-77.5	-23.4	0	0	0	111.2	H977 V982 H983 C984 I986 S1054 L1055	H977-D1051 IonicContact NE2-OD2 2.68Å; H977-D1051 PolarHBondContact NE2-OD2 3.47Å; V982-D1051 WeakPolarHBondContact CA-OD2 3.35Å; V982-D1051 VanDerWaalsContact CB-OD2 3.28Å; V982-D1051 WeakPolarHBondContact CB-OD2 3.37Å; H983-D1051 PolarHBondContact N-OD2 3.16Å; C984-D1051 WeakPolarHBondContact CA-OD1 3.5Å; C984-D1051 PolarHBondContact N-OD1 3.03Å; I986-D1051 HydrophobicContact CG1-CB 3.85Å; D1051-S1054 WeakPolarHBondContact O-CB 3.35Å; D1051-S1054 PolarHBondContact O-N 2.85Å; D1051-L1055 PolarHBondContact O-N 3.31Å
1052	L	97.7	Very high	94.8	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-77.4	-32.5	177	-67.7	172.5	0	0	0	113.7	I973 G1049 D1050 S1054 L1055 F1056 V1105 I1108 P1114 Y1116 L1119	I973-L1052 HydrophobicContact CG2-CD2 3.97Å; I973-L1052 HydrophobicContact CG2-CG 4.49Å; G1049-L1052 PolarHBondContact O-N 3.43Å; D1050-L1052 VanDerWaalsContact C-N 3.26Å; D1050-L1052 PolarHBondContact O-N 2.99Å; L1052-S1054 VanDerWaalsContact C-N 3.34Å; L1052-L1055 HydrophobicContact CD2-CD2 4.28Å; L1052-L1055 WeakPolarHBondContact O-CB 3.42Å; L1052-L1055 PolarHBondContact O-N 2.93Å; L1052-F1056 PolarHBondContact O-N 3.01Å; L1052-V1105 HydrophobicContact CB-CB 4.09Å; L1052-V1105 HydrophobicContact CB-CG1 3.9Å; L1052-I1108 HydrophobicContact CD1-CD1 3.96Å; L1052-P1114 HydrophobicContact CD1-CB 3.42Å; L1052-P1114 VanDerWaalsContact CD1-CB 3.42Å; L1052-P1114 HydrophobicContact CD1-CG 3.52Å; L1052-Y1116 HydrophobicContact CD1-CE1 4.24Å; L1052-L1119 HydrophobicContact CD1-CD1 3.96Å; L1052-L1119 HydrophobicContact CD2-CD1 4.11Å
1053	R	96	Very high	95	Very high	17 Å²	17	14.8 Å²	14.8	6%	0.064	8%	0.078	C	C	.	.	H	α-helix	trans	-64.3	-40.8	167.1	-70.9	171.4	-175.2	102.1	9.8	111.1	N1039 G1049 D1050 L1055 F1056 Y1057 V1105 F1106 I1108	N1039-R1053 PolarHBondContact ND2-NH1 3.1Å; G1049-R1053 WeakPolarHBondContact O-CG 3.37Å; G1049-R1053 PolarHBondContact O-N 3.37Å; D1050-R1053 PolarHBondContact O-N 3.12Å; D1050-R1053 IonicContact OD1-CZ 3.67Å; D1050-R1053 IonicContact OD1-NH1 2.89Å; D1050-R1053 PolarHBondContact OD1-NH1 3.38Å; D1050-R1053 IonicContact OD2-NH1 3.24Å; R1053-L1055 VanDerWaalsContact C-N 3.35Å; R1053-F1056 WeakPolarHBondContact O-CB 3.27Å; R1053-F1056 PolarHBondContact O-N 3.44Å; R1053-Y1057 WeakPolarHBondContact O-CD2 3.3Å; R1053-Y1057 PolarHBondContact O-N 2.94Å; R1053-Y1057 VanDerWaalsContact O-N 3.12Å; R1053-V1105 HydrophobicContact CG-CG2 4.45Å; R1053-F1106 HydrophobicContact CB-CE2 4.28Å; R1053-F1106 HydrophobicContact CB-CZ 4.35Å; R1053-F1106 HydrophobicContact CG-CD2 4.1Å; R1053-F1106 HydrophobicContact CG-CE1 4.5Å; R1053-F1106 HydrophobicContact CG-CE2 4.01Å; R1053-F1106 HydrophobicContact CG-CG 4.36Å; R1053-F1106 HydrophobicContact CG-CZ 4.23Å; R1053-F1106 PolarHBondContact NH2-O 3.19Å; R1053-I1108 PolarHBondContact NH2-O 2.92Å
1054	S	96.8	Very high	95.2	Very high	7 Å²	7	17.2 Å²	17.2	5%	0.049	8%	0.078	C	C	.	.	H	α-helix	trans	-64.3	-39.8	175	-53	0	0	0	0	111.3	Y1035 D1050 D1051 L1052 Y1057 M1058	Y1035-S1054 WeakPolarHBondContact O-CA 3.28Å; Y1035-S1054 WeakPolarHBondContact O-CB 3.46Å; Y1035-S1054 PolarHBondContact O-OG 3.3Å; Y1035-S1054 VanDerWaalsContact O-OG 3.12Å; D1050-S1054 WeakPolarHBondContact O-CB 3.28Å; D1050-S1054 PolarHBondContact O-N 2.96Å; D1050-S1054 PolarHBondContact O-OG 3.41Å; D1051-S1054 WeakPolarHBondContact O-CB 3.35Å; D1051-S1054 PolarHBondContact O-N 2.85Å; L1052-S1054 VanDerWaalsContact C-N 3.34Å; S1054-Y1057 PolarHBondContact O-N 2.72Å; S1054-M1058 PolarHBondContact O-N 3.32Å
1055	L	97.3	Very high	95.3	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-60.4	-43.1	170	179.9	66.6	0	0	0	112.1	C969 V970 I973 I986 D1051 L1052 R1053 Y1057 M1058 I1059 M1101	C969-L1055 HydrophobicContact CB-CD1 3.65Å; C969-L1055 HydrophobicContact CB-CD2 4.41Å; V970-L1055 HydrophobicContact CG2-CD2 3.63Å; I973-L1055 HydrophobicContact CD1-CB 4.25Å; I973-L1055 HydrophobicContact CD1-CD1 4.43Å; I973-L1055 HydrophobicContact CD1-CD2 4.05Å; I973-L1055 HydrophobicContact CD1-CG 4.47Å; I986-L1055 HydrophobicContact CG2-CB 4.06Å; D1051-L1055 PolarHBondContact O-N 3.31Å; L1052-L1055 HydrophobicContact CD2-CD2 4.28Å; L1052-L1055 WeakPolarHBondContact O-CB 3.42Å; L1052-L1055 PolarHBondContact O-N 2.93Å; R1053-L1055 VanDerWaalsContact C-N 3.35Å; L1055-Y1057 VanDerWaalsContact C-N 3.34Å; L1055-Y1057 PolarHBondContact O-N 2.88Å; L1055-M1058 HydrophobicContact CD1-CE 3.76Å; L1055-M1058 WeakPolarHBondContact O-CB 3.5Å; L1055-M1058 PolarHBondContact O-N 2.85Å; L1055-M1058 VanDerWaalsContact O-N 3.16Å; L1055-I1059 HydrophobicContact CD1-CG1 4.1Å; L1055-I1059 HydrophobicContact CG-CG1 4.18Å; L1055-I1059 WeakPolarHBondContact O-CB 3.45Å; L1055-I1059 VanDerWaalsContact O-CG1 3.3Å; L1055-I1059 WeakPolarHBondContact O-CG1 3.46Å; L1055-I1059 PolarHBondContact O-N 3.18Å; L1055-M1101 HydrophobicContact CB-CE 4.49Å; L1055-M1101 HydrophobicContact CD2-CE 3.74Å; L1055-M1101 HydrophobicContact CG-CE 3.94Å
1056	F	96.6	Very high	95.3	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-59.7	-43.6	177.2	173.2	-94	0	0	0	111.9	L1052 R1053 M1058 I1059 Y1060 I1087 M1090 T1091 L1094 I1098 M1101 G1102 V1105 F1106	L1052-F1056 PolarHBondContact O-N 3.01Å; R1053-F1056 WeakPolarHBondContact O-CB 3.27Å; R1053-F1056 PolarHBondContact O-N 3.44Å; F1056-M1058 VanDerWaalsContact C-N 3.34Å; F1056-M1058 PolarHBondContact O-N 3.37Å; F1056-I1059 PolarHBondContact O-N 3.46Å; F1056-Y1060 WeakPolarHBondContact O-CB 3.09Å; F1056-Y1060 PolarHBondContact O-N 2.8Å; F1056-I1087 HydrophobicContact CD1-CD1 4.16Å; F1056-I1087 HydrophobicContact CE1-CD1 3.5Å; F1056-I1087 HydrophobicContact CE2-CD1 4.18Å; F1056-I1087 HydrophobicContact CZ-CD1 3.52Å; F1056-M1090 HydrophobicContact CE1-CB 4.46Å; F1056-M1090 HydrophobicContact CE1-CE 4.28Å; F1056-M1090 HydrophobicContact CE1-SD 4.37Å; F1056-T1091 HydrophobicContact CE2-CG2 4.23Å; F1056-T1091 HydrophobicContact CZ-CG2 3.83Å; F1056-L1094 HydrophobicContact CE2-CD1 3.94Å; F1056-L1094 HydrophobicContact CZ-CD1 3.81Å; F1056-I1098 HydrophobicContact CE2-CG2 4.48Å; F1056-M1101 HydrophobicContact CB-CE 4.4Å; F1056-G1102 VanDerWaalsContact CE2-CA 3.5Å; F1056-V1105 HydrophobicContact CB-CG2 4.01Å; F1056-F1106 HydrophobicContact CB-CE2 4.37Å; F1056-F1106 AromaticContact CD1-CE2 3.68Å; F1056-F1106 HydrophobicContact CD1-CE2 3.68Å; F1056-F1106 HydrophobicContact CD1-CZ 4.31Å; F1056-F1106 HydrophobicContact CE1-CE2 4.27Å; F1056-F1106 HydrophobicContact CG-CE2 4.16Å
1057	Y	96.1	Very high	95.4	Very high	4 Å²	4	14.9 Å²	14.9	2%	0.016	8%	0.083	C	C	.	.	H	α-helix	trans	-63.2	-39.3	174.1	-60.4	-41.5	0	0	0	112.3	Y1035 R1053 S1054 L1055 Y1060 E1061 L1067 W1069 M1090 F1106	Y1035-Y1057 VanDerWaalsContact O-CD2 3.3Å; Y1035-Y1057 WeakPolarHBondContact O-CD2 3.34Å; R1053-Y1057 WeakPolarHBondContact O-CD2 3.3Å; R1053-Y1057 PolarHBondContact O-N 2.94Å; R1053-Y1057 VanDerWaalsContact O-N 3.12Å; S1054-Y1057 PolarHBondContact O-N 2.72Å; L1055-Y1057 VanDerWaalsContact C-N 3.34Å; L1055-Y1057 PolarHBondContact O-N 2.88Å; Y1057-Y1060 PolarHBondContact O-N 2.8Å; Y1057-E1061 WeakPolarHBondContact O-CB 3.48Å; Y1057-E1061 PolarHBondContact O-N 2.88Å; Y1057-L1067 HydrophobicContact CD1-CD2 4.45Å; Y1057-W1069 AromaticContact CD1-CH2 3.62Å; Y1057-W1069 HydrophobicContact CD1-CH2 3.62Å; Y1057-W1069 AromaticContact CD1-CZ2 3.76Å; Y1057-W1069 HydrophobicContact CD1-CZ2 3.76Å; Y1057-W1069 HydrophobicContact CD2-CZ2 4.31Å; Y1057-W1069 AromaticContact CE1-CH2 3.47Å; Y1057-W1069 HydrophobicContact CE1-CH2 3.47Å; Y1057-W1069 VanDerWaalsContact CE1-CH2 3.47Å; Y1057-W1069 AromaticContact CE1-CZ2 3.88Å; Y1057-W1069 HydrophobicContact CE1-CZ2 3.88Å; Y1057-W1069 HydrophobicContact CE2-CZ2 4.41Å; Y1057-W1069 HydrophobicContact CG-CH2 4.32Å; Y1057-W1069 AromaticContact CG-CZ2 3.98Å; Y1057-W1069 HydrophobicContact CG-CZ2 3.98Å; Y1057-M1090 HydrophobicContact CD1-CE 4.13Å; Y1057-M1090 HydrophobicContact CD1-SD 4.28Å; Y1057-M1090 HydrophobicContact CE1-CE 4.43Å; Y1057-M1090 HydrophobicContact CE1-SD 3.98Å; Y1057-F1106 AromaticContact CE1-CZ 3.78Å; Y1057-F1106 HydrophobicContact CE1-CZ 3.78Å; Y1057-F1106 AromaticContact CZ-CZ 3.77Å
1058	M	96.2	Very high	95.3	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-60.1	-46.8	173.4	-164.8	-176.1	89.8	0	0	111.6	T988 F991 S1054 L1055 F1056 E1061 L1062	T988-M1058 HydrophobicContact CG2-CG 3.63Å; T988-M1058 HydrophobicContact CG2-SD 4.44Å; F991-M1058 HydrophobicContact CD2-CE 3.88Å; F991-M1058 HydrophobicContact CD2-SD 3.66Å; F991-M1058 HydrophobicContact CE2-CE 3.89Å; F991-M1058 HydrophobicContact CE2-SD 3.7Å; S1054-M1058 PolarHBondContact O-N 3.32Å; L1055-M1058 HydrophobicContact CD1-CE 3.76Å; L1055-M1058 WeakPolarHBondContact O-CB 3.5Å; L1055-M1058 PolarHBondContact O-N 2.85Å; L1055-M1058 VanDerWaalsContact O-N 3.16Å; F1056-M1058 VanDerWaalsContact C-N 3.34Å; F1056-M1058 PolarHBondContact O-N 3.37Å; M1058-E1061 WeakPolarHBondContact O-CB 3.39Å; M1058-E1061 PolarHBondContact O-N 3.37Å; M1058-L1062 WeakPolarHBondContact O-CG 3.39Å; M1058-L1062 PolarHBondContact O-N 2.77Å
1059	I	96.2	Very high	95.2	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-65.5	-38.1	179.3	-68.8	-69.4	0	0	0	112	V962 L1055 F1056 L1062 L1063 I1098 F1123	V962-I1059 HydrophobicContact CG1-CD1 3.89Å; V962-I1059 HydrophobicContact CG1-CG2 3.84Å; L1055-I1059 HydrophobicContact CD1-CG1 4.1Å; L1055-I1059 HydrophobicContact CG-CG1 4.18Å; L1055-I1059 WeakPolarHBondContact O-CB 3.45Å; L1055-I1059 VanDerWaalsContact O-CG1 3.3Å; L1055-I1059 WeakPolarHBondContact O-CG1 3.46Å; L1055-I1059 PolarHBondContact O-N 3.18Å; F1056-I1059 PolarHBondContact O-N 3.46Å; I1059-L1062 PolarHBondContact O-N 2.99Å; I1059-L1063 HydrophobicContact CG2-CD1 4.31Å; I1059-L1063 WeakPolarHBondContact O-CG 3.48Å; I1059-L1063 PolarHBondContact O-N 2.86Å; I1059-I1098 HydrophobicContact CG2-CD1 4.26Å; I1059-I1098 HydrophobicContact CG2-CG2 3.83Å; I1059-F1123 HydrophobicContact CD1-CE1 4.28Å; I1059-F1123 HydrophobicContact CD1-CZ 4.1Å; I1059-F1123 HydrophobicContact CG1-CZ 4.19Å
1060	Y	95.6	Very high	94.9	Very high	35 Å²	35	18.7 Å²	18.7	14%	0.137	11%	0.112	C	C	.	.	H	α-helix	trans	-60.1	-47.2	171.6	-175.5	-78.3	0	0	0	111.1	F1056 Y1057 L1062 L1063 K1064 L1067 P1068 M1090 L1094	F1056-Y1060 WeakPolarHBondContact O-CB 3.09Å; F1056-Y1060 PolarHBondContact O-N 2.8Å; Y1057-Y1060 PolarHBondContact O-N 2.8Å; Y1060-L1062 PolarHBondContact O-N 2.71Å; Y1060-L1063 PolarHBondContact O-N 3.5Å; Y1060-L1063 VanDerWaalsContact O-N 3.14Å; Y1060-K1064 HydrophobicContact CD1-CB 4.18Å; Y1060-K1064 HydrophobicContact CD1-CG 4.08Å; Y1060-K1064 HydrophobicContact CE1-CB 3.86Å; Y1060-K1064 HydrophobicContact CE1-CG 3.74Å; Y1060-K1064 HydrophobicContact CE2-CG 4.29Å; Y1060-K1064 HydrophobicContact CG-CG 4.49Å; Y1060-K1064 WeakPolarHBondContact O-CB 3.44Å; Y1060-K1064 PolarHBondContact O-N 3.35Å; Y1060-L1067 HydrophobicContact CD1-CD2 3.69Å; Y1060-L1067 HydrophobicContact CE1-CD2 4.43Å; Y1060-L1067 HydrophobicContact CG-CD2 4.23Å; Y1060-P1068 HydrophobicContact CE1-CG 4.34Å; Y1060-M1090 HydrophobicContact CD1-CE 3.9Å; Y1060-M1090 HydrophobicContact CD2-CE 3.48Å; Y1060-M1090 VanDerWaalsContact CD2-CE 3.48Å; Y1060-M1090 HydrophobicContact CE1-CE 4.08Å; Y1060-M1090 HydrophobicContact CE2-CB 4.2Å; Y1060-M1090 HydrophobicContact CE2-CE 3.67Å; Y1060-M1090 HydrophobicContact CE2-CG 4.48Å; Y1060-M1090 WeakPolarHBondContact CE2-O 3.47Å; Y1060-M1090 HydrophobicContact CG-CE 3.6Å; Y1060-L1094 HydrophobicContact CD2-CD1 4Å; Y1060-L1094 HydrophobicContact CD2-CD2 3.94Å; Y1060-L1094 HydrophobicContact CD2-CG 4.47Å; Y1060-L1094 HydrophobicContact CE2-CD1 4.49Å; Y1060-L1094 HydrophobicContact CE2-CD2 4.11Å
1061	E	95.2	Very high	94.5	Very high	15 Å²	15	26.7 Å²	26.7	7%	0.07	15%	0.154	C	C	.	.	H	α-helix	trans	-62.4	-39.9	-179.7	-163.3	178.8	-123.1	0	0	112.1	L951 T988 Y1035 Y1057 M1058 L1063 K1064 G1065 L1067	L951-E1061 HydrophobicContact CD2-CG 3.92Å; T988-E1061 WeakPolarHBondContact CG2-OE2 3.48Å; Y1035-E1061 VanDerWaalsContact CE1-OE2 3.27Å; Y1035-E1061 WeakPolarHBondContact CE1-OE2 3.45Å; Y1035-E1061 VanDerWaalsContact CZ-OE2 3.3Å; Y1035-E1061 PolarHBondContact OH-OE1 2.89Å; Y1035-E1061 PolarHBondContact OH-OE2 3.4Å; Y1057-E1061 WeakPolarHBondContact O-CB 3.48Å; Y1057-E1061 PolarHBondContact O-N 2.88Å; M1058-E1061 WeakPolarHBondContact O-CB 3.39Å; M1058-E1061 PolarHBondContact O-N 3.37Å; E1061-L1063 VanDerWaalsContact C-N 3.3Å; E1061-L1063 PolarHBondContact O-N 3.24Å; E1061-K1064 PolarHBondContact O-N 2.92Å; E1061-G1065 VanDerWaalsContact O-CA 3.22Å; E1061-G1065 WeakPolarHBondContact O-CA 3.35Å; E1061-G1065 PolarHBondContact O-N 3.37Å; E1061-L1067 HydrophobicContact CB-CD1 4.36Å; E1061-L1067 HydrophobicContact CB-CG 4.08Å; E1061-L1067 HydrophobicContact CG-CG 4.3Å
1062	L	95.8	Very high	94.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.8	-31.3	175.1	-61.3	-176.9	0	0	0	113.2	V947 L951 F957 V962 I965 T988 M1058 I1059 Y1060	V947-L1062 HydrophobicContact CG1-CD1 4.14Å; V947-L1062 HydrophobicContact CG1-CD2 3.73Å; L951-L1062 HydrophobicContact CB-CD2 4.31Å; L951-L1062 HydrophobicContact CD1-CD2 4.03Å; L951-L1062 HydrophobicContact CD2-CD2 4.19Å; L951-L1062 HydrophobicContact CG-CD2 4.4Å; F957-L1062 HydrophobicContact CD2-CB 4.11Å; F957-L1062 HydrophobicContact CD2-CD1 4.03Å; F957-L1062 HydrophobicContact CD2-CD2 3.87Å; F957-L1062 HydrophobicContact CD2-CG 4.2Å; F957-L1062 HydrophobicContact CE2-CD1 4.18Å; F957-L1062 HydrophobicContact CE2-CD2 3.69Å; F957-L1062 HydrophobicContact CE2-CG 4.4Å; F957-L1062 HydrophobicContact CZ-CD2 4.29Å; F957-L1062 PolarHBondContact N-O 3.07Å; V962-L1062 HydrophobicContact CG2-CB 3.67Å; I965-L1062 HydrophobicContact CD1-CD1 4.34Å; I965-L1062 HydrophobicContact CG2-CD1 4.08Å; T988-L1062 HydrophobicContact CG2-CD2 4.09Å; M1058-L1062 WeakPolarHBondContact O-CG 3.39Å; M1058-L1062 PolarHBondContact O-N 2.77Å; I1059-L1062 PolarHBondContact O-N 2.99Å; Y1060-L1062 PolarHBondContact O-N 2.71Å
1063	L	94.2	Very high	93.3	Very high	31 Å²	31	36.9 Å²	36.9	16%	0.162	21%	0.211	C	C	.	.	H	α-helix	trans	-83.6	-29.9	178.8	-70.7	168.3	0	0	0	114	L959 V962 I1059 Y1060 E1061 L1094 I1098	L959-L1063 HydrophobicContact CD1-CD2 4.4Å; V962-L1063 HydrophobicContact CB-CD2 3.91Å; V962-L1063 HydrophobicContact CB-CG 4.29Å; V962-L1063 HydrophobicContact CG1-CD1 4.28Å; V962-L1063 HydrophobicContact CG1-CD2 4.03Å; V962-L1063 HydrophobicContact CG1-CG 3.92Å; V962-L1063 HydrophobicContact CG2-CD2 3.76Å; V962-L1063 HydrophobicContact CG2-CG 4.04Å; I1059-L1063 HydrophobicContact CG2-CD1 4.31Å; I1059-L1063 WeakPolarHBondContact O-CG 3.48Å; I1059-L1063 PolarHBondContact O-N 2.86Å; Y1060-L1063 PolarHBondContact O-N 3.5Å; Y1060-L1063 VanDerWaalsContact O-N 3.14Å; E1061-L1063 VanDerWaalsContact C-N 3.3Å; E1061-L1063 PolarHBondContact O-N 3.24Å; L1063-L1094 HydrophobicContact CD1-CD2 4.47Å; L1063-I1098 HydrophobicContact CD1-CG1 4.31Å; L1063-I1098 HydrophobicContact CD1-CG2 4.13Å
1064	K	92.9	Very high	92.9	Very high	88 Å²	88	38.6 Å²	38.6	38%	0.383	23%	0.226	S	C	.	.	H	α-helix	trans	-114.1	-7.9	-172	-59.2	-69.4	-177	172.2	0	113.6	Y1060 E1061 A1066 D1093	Y1060-K1064 HydrophobicContact CD1-CB 4.18Å; Y1060-K1064 HydrophobicContact CD1-CG 4.08Å; Y1060-K1064 HydrophobicContact CE1-CB 3.86Å; Y1060-K1064 HydrophobicContact CE1-CG 3.74Å; Y1060-K1064 HydrophobicContact CE2-CG 4.29Å; Y1060-K1064 HydrophobicContact CG-CG 4.49Å; Y1060-K1064 WeakPolarHBondContact O-CB 3.44Å; Y1060-K1064 PolarHBondContact O-N 3.35Å; E1061-K1064 PolarHBondContact O-N 2.92Å; K1064-A1066 PolarHBondContact O-N 3.41Å; K1064-D1093 PolarHBondContact NZ-O 3.34Å
1065	G	91.5	Very high	92.5	Very high	30 Å²	30	42.9 Å²	42.9	31%	0.309	24%	0.243	S	C	.	.	S	Bend	trans	77.1	-15.2	179.5	0	0	0	0	0	115.5	K955 E1061	K955-G1065 WeakPolarHBondContact O-CA 3.19Å; E1061-G1065 VanDerWaalsContact O-CA 3.22Å; E1061-G1065 WeakPolarHBondContact O-CA 3.35Å; E1061-G1065 PolarHBondContact O-N 3.37Å
1066	A	91.7	Very high	92.1	Very high	44 Å²	44	44.3 Å²	44.3	36%	0.364	26%	0.259	S	S	.	.	S	Bend	trans	-154.2	161.1	174.9	0	0	0	0	0	110.6	K1064	K1064-A1066 PolarHBondContact O-N 3.41Å
1067	L	93.2	Very high	91.8	Very high	8 Å²	8	44.3 Å²	44.3	4%	0.042	26%	0.259	C	S	.	.			trans	-92.9	155.1	167.2	-75.9	159.7	0	0	0	110.3	T1034 Y1035 Y1057 Y1060 E1061 W1069 S1070 M1090	T1034-L1067 HydrophobicContact CG2-CD1 3.88Å; Y1035-L1067 HydrophobicContact CD1-CD1 4.2Å; Y1035-L1067 HydrophobicContact CE1-CD1 4.04Å; Y1057-L1067 HydrophobicContact CD1-CD2 4.45Å; Y1060-L1067 HydrophobicContact CD1-CD2 3.69Å; Y1060-L1067 HydrophobicContact CE1-CD2 4.43Å; Y1060-L1067 HydrophobicContact CG-CD2 4.23Å; E1061-L1067 HydrophobicContact CB-CD1 4.36Å; E1061-L1067 HydrophobicContact CB-CG 4.08Å; E1061-L1067 HydrophobicContact CG-CG 4.3Å; L1067-W1069 HydrophobicContact CB-CD2 4.25Å; L1067-W1069 HydrophobicContact CB-CZ2 4.22Å; L1067-W1069 HydrophobicContact CD1-CZ2 4.11Å; L1067-W1069 HydrophobicContact CD2-CH2 4.02Å; L1067-W1069 HydrophobicContact CD2-CZ2 3.74Å; L1067-W1069 HydrophobicContact CG-CZ2 4.25Å; L1067-W1069 PolarHBondContact O-N 3.01Å; L1067-S1070 PolarHBondContact N-OG 3.42Å; L1067-S1070 WeakPolarHBondContact O-CB 3.49Å; L1067-S1070 PolarHBondContact O-N 3.18Å; L1067-S1070 PolarHBondContact O-OG 2.68Å; L1067-M1090 HydrophobicContact CD2-CE 4.01Å
1068	P	92.9	Very high	91.6	Very high	49 Å²	49	44.3 Å²	44.3	32%	0.318	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-9.8	178.8	-25	35.2	0	0	0	115.3	Y1060 S1081 N1085 M1090	Y1060-P1068 HydrophobicContact CE1-CG 4.34Å; P1068-S1081 PolarHBondContact O-OG 3.27Å; P1068-N1085 HydrophobicContact CB-CB 3.98Å; P1068-N1085 VanDerWaalsContact CB-CG 3.44Å; P1068-N1085 HydrophobicContact CG-CB 4.1Å; P1068-M1090 HydrophobicContact CG-CE 4.46Å
1069	W	94.1	Very high	91.4	Very high	3 Å²	3	45.9 Å²	45.9	1%	0.011	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	14.9	177.1	53.8	82.9	0	0	0	113.7	T1034 Y1057 L1067 L1071 E1072 V1078 K1082 N1085 M1090	T1034-W1069 PolarHBondContact O-NE1 3.18Å; Y1057-W1069 AromaticContact CD1-CH2 3.62Å; Y1057-W1069 HydrophobicContact CD1-CH2 3.62Å; Y1057-W1069 AromaticContact CD1-CZ2 3.76Å; Y1057-W1069 HydrophobicContact CD1-CZ2 3.76Å; Y1057-W1069 HydrophobicContact CD2-CZ2 4.31Å; Y1057-W1069 AromaticContact CE1-CH2 3.47Å; Y1057-W1069 HydrophobicContact CE1-CH2 3.47Å; Y1057-W1069 VanDerWaalsContact CE1-CH2 3.47Å; Y1057-W1069 AromaticContact CE1-CZ2 3.88Å; Y1057-W1069 HydrophobicContact CE1-CZ2 3.88Å; Y1057-W1069 HydrophobicContact CE2-CZ2 4.41Å; Y1057-W1069 HydrophobicContact CG-CH2 4.32Å; Y1057-W1069 AromaticContact CG-CZ2 3.98Å; Y1057-W1069 HydrophobicContact CG-CZ2 3.98Å; L1067-W1069 HydrophobicContact CB-CD2 4.25Å; L1067-W1069 HydrophobicContact CB-CZ2 4.22Å; L1067-W1069 HydrophobicContact CD1-CZ2 4.11Å; L1067-W1069 HydrophobicContact CD2-CH2 4.02Å; L1067-W1069 HydrophobicContact CD2-CZ2 3.74Å; L1067-W1069 HydrophobicContact CG-CZ2 4.25Å; L1067-W1069 PolarHBondContact O-N 3.01Å; W1069-L1071 PolarHBondContact O-N 2.67Å; W1069-L1071 VanDerWaalsContact O-N 3.07Å; W1069-E1072 HydrophobicContact CB-CB 4.27Å; W1069-E1072 HydrophobicContact CB-CG 4.42Å; W1069-E1072 WeakPolarHBondContact O-CB 3.36Å; W1069-E1072 PolarHBondContact O-N 2.9Å; W1069-V1078 HydrophobicContact CG-CG1 4.28Å; W1069-K1082 HydrophobicContact CD2-CG 3.58Å; W1069-K1082 HydrophobicContact CE3-CB 4.39Å; W1069-K1082 HydrophobicContact CE3-CG 3.61Å; W1069-K1082 HydrophobicContact CG-CG 4.29Å; W1069-K1082 HydrophobicContact CH2-CG 3.81Å; W1069-K1082 HydrophobicContact CZ2-CD 4.27Å; W1069-K1082 HydrophobicContact CZ2-CG 3.75Å; W1069-K1082 HydrophobicContact CZ3-CB 4.39Å; W1069-K1082 HydrophobicContact CZ3-CG 3.73Å; W1069-N1085 HydrophobicContact CZ3-CB 4.2Å; W1069-M1090 HydrophobicContact CH2-CE 3.87Å; W1069-M1090 HydrophobicContact CH2-SD 3.76Å; W1069-M1090 HydrophobicContact CZ3-CE 4.23Å; W1069-M1090 HydrophobicContact CZ3-SD 3.9Å
1070	S	88.6	Confident	91.2	Very high	58 Å²	58	53.8 Å²	53.8	41%	0.406	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-14.3	179.5	-67.1	0	0	0	0	114.6	L1067	L1067-S1070 PolarHBondContact N-OG 3.42Å; L1067-S1070 WeakPolarHBondContact O-CB 3.49Å; L1067-S1070 PolarHBondContact O-N 3.18Å; L1067-S1070 PolarHBondContact O-OG 2.68Å
1071	L	88.4	Confident	91.1	Very high	172 Å²	172	52.8 Å²	52.8	90%	0.901	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-8.1	172.9	-59.3	178.9	0	0	0	113.7	W1069 T1073	W1069-L1071 PolarHBondContact O-N 2.67Å; W1069-L1071 VanDerWaalsContact O-N 3.07Å; L1071-T1073 PolarHBondContact O-N 3.21Å
1072	E	89.3	Confident	91	Very high	74 Å²	74	52.2 Å²	52.2	35%	0.346	29%	0.293	S	S	.	.			trans	-86.8	110.8	-178.6	-77.4	-81.7	-156	0	0	110.7	W1069 G1077 V1078	W1069-E1072 HydrophobicContact CB-CB 4.27Å; W1069-E1072 HydrophobicContact CB-CG 4.42Å; W1069-E1072 WeakPolarHBondContact O-CB 3.36Å; W1069-E1072 PolarHBondContact O-N 2.9Å; E1072-G1077 VanDerWaalsContact CD-C 3.45Å; E1072-G1077 VanDerWaalsContact CD-CA 3.46Å; E1072-G1077 VanDerWaalsContact OE2-CA 3.25Å; E1072-G1077 WeakPolarHBondContact OE2-CA 3.23Å; E1072-V1078 HydrophobicContact CB-CB 4.49Å; E1072-V1078 HydrophobicContact CB-CG2 3.72Å; E1072-V1078 WeakPolarHBondContact O-CG2 3.45Å
1073	T	80.5	Confident	90.8	Very high	139 Å²	139	57.2 Å²	57.2	85%	0.853	32%	0.318	S	S	*	.			trans	-90	-17.5	179.9	57.5	0	0	0	0	113.6	L1071	L1071-T1073 PolarHBondContact O-N 3.21Å
1074	S	87.4	Confident	90.7	Very high	53 Å²	53	63.6 Å²	63.6	37%	0.371	35%	0.345	S	S	.	.	S	Bend	trans	-95.6	142	-173.6	75.8	0	0	0	0	112.8	G1076 G1077 V1078	S1074-G1076 PolarHBondContact O-N 2.91Å; S1074-G1077 PolarHBondContact O-N 3.49Å; S1074-G1077 WeakPolarHBondContact OG-CA 3.31Å; S1074-G1077 PolarHBondContact OG-N 2.95Å; S1074-V1078 WeakPolarHBondContact O-CG2 3.21Å; S1074-V1078 PolarHBondContact O-N 3.39Å
1075	F	89.2	Confident	90.6	Very high	97 Å²	97	61.3 Å²	61.3	43%	0.425	34%	0.337	S	S	.	.	H	α-helix	trans	-54.2	-39.3	179.7	-169	-83.7	0	0	0	113.1	F1029 L1033 Q1041 L1079	F1029-F1075 HydrophobicContact CD1-CE2 4.35Å; F1029-F1075 AromaticContact CD2-CE2 3.98Å; F1029-F1075 HydrophobicContact CD2-CE2 3.98Å; F1029-F1075 HydrophobicContact CD2-CZ 4.2Å; F1029-F1075 HydrophobicContact CE1-CE2 4.5Å; F1029-F1075 HydrophobicContact CE2-CE2 4.15Å; F1029-F1075 HydrophobicContact CG-CE2 4.1Å; F1029-F1075 HydrophobicContact CZ-CE2 4.42Å; L1033-F1075 HydrophobicContact CD1-CD2 3.53Å; L1033-F1075 HydrophobicContact CD1-CE2 3.89Å; L1033-F1075 HydrophobicContact CD1-CG 4.18Å; L1033-F1075 HydrophobicContact CD2-CD2 4.49Å; Q1041-F1075 HydrophobicContact CB-CZ 4.47Å; Q1041-F1075 HydrophobicContact CG-CD1 4.47Å; Q1041-F1075 HydrophobicContact CG-CE1 3.81Å; Q1041-F1075 HydrophobicContact CG-CE2 4.09Å; Q1041-F1075 HydrophobicContact CG-CZ 3.59Å; Q1041-F1075 PolarHBondContact NE2-O 2.98Å; Q1041-F1075 WeakPolarHBondContact O-CE1 3.43Å; Q1041-F1075 VanDerWaalsContact O-CZ 3.29Å; Q1041-F1075 WeakPolarHBondContact O-CZ 3.27Å; F1075-L1079 WeakPolarHBondContact O-CB 3.27Å; F1075-L1079 PolarHBondContact O-N 3.48Å
1076	G	87.9	Confident	90.4	Very high	31 Å²	31	63 Å²	63	32%	0.32	34%	0.338	S	S	.	.	H	α-helix	trans	-77.8	-31.7	176.3	0	0	0	0	0	114.2	S1074 L1079 R1080	S1074-G1076 PolarHBondContact O-N 2.91Å; G1076-L1079 PolarHBondContact O-N 3.25Å; G1076-R1080 WeakPolarHBondContact O-CG 3.48Å; G1076-R1080 PolarHBondContact O-N 3.44Å
1077	G	91.3	Very high	90.2	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-67.5	-51.7	175.8	0	0	0	0	0	112.2	E1072 S1074 L1079 R1080 S1081	E1072-G1077 VanDerWaalsContact CD-C 3.45Å; E1072-G1077 VanDerWaalsContact CD-CA 3.46Å; E1072-G1077 VanDerWaalsContact OE2-CA 3.25Å; E1072-G1077 WeakPolarHBondContact OE2-CA 3.23Å; S1074-G1077 PolarHBondContact O-N 3.49Å; S1074-G1077 WeakPolarHBondContact OG-CA 3.31Å; S1074-G1077 PolarHBondContact OG-N 2.95Å; G1077-L1079 PolarHBondContact O-N 3.47Å; G1077-R1080 PolarHBondContact O-N 3.04Å; G1077-S1081 PolarHBondContact O-N 3.46Å
1078	V	91.7	Very high	89.9	Confident	3 Å²	3	66.4 Å²	66.4	2%	0.018	35%	0.347	C	S	.	.	H	α-helix	trans	-53.9	-43.4	172.2	177.7	0	0	0	0	110.6	L1033 W1069 E1072 S1074 S1081 K1082	L1033-V1078 HydrophobicContact CD1-CB 4.47Å; L1033-V1078 HydrophobicContact CD1-CG1 4.39Å; L1033-V1078 HydrophobicContact CD2-CB 4.43Å; L1033-V1078 HydrophobicContact CD2-CG2 3.94Å; L1033-V1078 HydrophobicContact CG-CB 4.23Å; L1033-V1078 HydrophobicContact CG-CG1 4.16Å; L1033-V1078 HydrophobicContact CG-CG2 4.06Å; W1069-V1078 HydrophobicContact CG-CG1 4.28Å; E1072-V1078 HydrophobicContact CB-CB 4.49Å; E1072-V1078 HydrophobicContact CB-CG2 3.72Å; E1072-V1078 WeakPolarHBondContact O-CG2 3.45Å; S1074-V1078 WeakPolarHBondContact O-CG2 3.21Å; S1074-V1078 PolarHBondContact O-N 3.39Å; V1078-S1081 PolarHBondContact O-N 3.16Å; V1078-K1082 HydrophobicContact CG1-CD 4.05Å; V1078-K1082 HydrophobicContact CG1-CG 4.42Å; V1078-K1082 WeakPolarHBondContact O-CB 3.3Å; V1078-K1082 WeakPolarHBondContact O-CG 3.3Å; V1078-K1082 PolarHBondContact O-N 2.87Å
1079	L	92.1	Very high	89.6	Confident	33 Å²	33	69.3 Å²	69.3	17%	0.173	36%	0.36	C	S	.	.	H	α-helix	trans	-64.2	-48.1	179.7	-176.1	57	0	0	0	112	V1038 Q1041 T1042 F1075 G1076 G1077 S1081 K1082 I1083	V1038-L1079 HydrophobicContact CG1-CD1 4.06Å; Q1041-L1079 HydrophobicContact CB-CD1 4.35Å; Q1041-L1079 HydrophobicContact CG-CB 4.45Å; Q1041-L1079 HydrophobicContact CG-CD1 4.15Å; T1042-L1079 HydrophobicContact CG2-CD1 4.03Å; T1042-L1079 HydrophobicContact CG2-CD2 4.2Å; F1075-L1079 WeakPolarHBondContact O-CB 3.27Å; F1075-L1079 PolarHBondContact O-N 3.48Å; G1076-L1079 PolarHBondContact O-N 3.25Å; G1077-L1079 PolarHBondContact O-N 3.47Å; L1079-S1081 VanDerWaalsContact C-N 3.33Å; L1079-S1081 PolarHBondContact O-N 2.85Å; L1079-K1082 PolarHBondContact O-N 2.86Å; L1079-I1083 HydrophobicContact CD1-CD1 3.87Å; L1079-I1083 HydrophobicContact CD1-CG1 4.31Å; L1079-I1083 HydrophobicContact CG-CD1 3.88Å; L1079-I1083 VanDerWaalsContact O-CG1 3.3Å; L1079-I1083 WeakPolarHBondContact O-CG1 3.42Å; L1079-I1083 PolarHBondContact O-N 3.19Å
1080	R	92.3	Very high	89.3	Confident	166 Å²	166	69.4 Å²	69.4	63%	0.626	36%	0.361	S	S	*	.	H	α-helix	trans	-61.1	-42.1	176.8	-73.8	-176.9	-56.9	-108.7	0.3	111.8	G1076 G1077 I1083 K1084	G1076-R1080 WeakPolarHBondContact O-CG 3.48Å; G1076-R1080 PolarHBondContact O-N 3.44Å; G1077-R1080 PolarHBondContact O-N 3.04Å; R1080-I1083 PolarHBondContact O-N 3.26Å; R1080-K1084 WeakPolarHBondContact O-CB 3.34Å; R1080-K1084 PolarHBondContact O-N 2.64Å
1081	S	93.1	Very high	89	Confident	15 Å²	15	66.8 Å²	66.8	11%	0.105	34%	0.342	C	S	.	.	H	α-helix	trans	-69.5	-36.2	179.4	-172.5	0	0	0	0	112.3	P1068 G1077 V1078 L1079 K1084 N1085	P1068-S1081 PolarHBondContact O-OG 3.27Å; G1077-S1081 PolarHBondContact O-N 3.46Å; V1078-S1081 PolarHBondContact O-N 3.16Å; L1079-S1081 VanDerWaalsContact C-N 3.33Å; L1079-S1081 PolarHBondContact O-N 2.85Å; S1081-K1084 PolarHBondContact O-N 2.59Å; S1081-N1085 WeakPolarHBondContact O-CB 3.1Å; S1081-N1085 PolarHBondContact O-N 2.98Å; S1081-N1085 PolarHBondContact O-ND2 3.36Å; S1081-N1085 PolarHBondContact OG-ND2 2.9Å
1082	K	93.8	Very high	88.6	Confident	3 Å²	3	63.4 Å²	63.4	1%	0.013	33%	0.328	C	S	.	.	H	α-helix	trans	-66.7	-31.6	170.2	-76.3	177.6	-176.5	169.9	0	114.3	L1033 T1034 A1036 V1038 W1069 V1078 L1079 N1085	L1033-K1082 PolarHBondContact O-NZ 3.28Å; T1034-K1082 VanDerWaalsContact O-CE 3.32Å; T1034-K1082 WeakPolarHBondContact O-CE 3.39Å; T1034-K1082 PolarHBondContact O-NZ 3.02Å; A1036-K1082 PolarHBondContact O-NZ 2.89Å; V1038-K1082 HydrophobicContact CG2-CB 3.86Å; V1038-K1082 HydrophobicContact CG2-CD 4.27Å; W1069-K1082 HydrophobicContact CD2-CG 3.58Å; W1069-K1082 HydrophobicContact CE3-CB 4.39Å; W1069-K1082 HydrophobicContact CE3-CG 3.61Å; W1069-K1082 HydrophobicContact CG-CG 4.29Å; W1069-K1082 HydrophobicContact CH2-CG 3.81Å; W1069-K1082 HydrophobicContact CZ2-CD 4.27Å; W1069-K1082 HydrophobicContact CZ2-CG 3.75Å; W1069-K1082 HydrophobicContact CZ3-CB 4.39Å; W1069-K1082 HydrophobicContact CZ3-CG 3.73Å; V1078-K1082 HydrophobicContact CG1-CD 4.05Å; V1078-K1082 HydrophobicContact CG1-CG 4.42Å; V1078-K1082 WeakPolarHBondContact O-CB 3.3Å; V1078-K1082 WeakPolarHBondContact O-CG 3.3Å; V1078-K1082 PolarHBondContact O-N 2.87Å; L1079-K1082 PolarHBondContact O-N 2.86Å; K1082-N1085 CarbonylContact O-C 3.43Å
1083	I	91.3	Very high	88.4	Confident	104 Å²	104	65.6 Å²	65.6	53%	0.533	34%	0.343	S	S	.	.	H	α-helix	trans	-76.5	-33.9	175.5	-69.2	167.8	0	0	0	110.7	V1038 L1079 R1080	V1038-I1083 HydrophobicContact CG1-CG1 4.32Å; L1079-I1083 HydrophobicContact CD1-CD1 3.87Å; L1079-I1083 HydrophobicContact CD1-CG1 4.31Å; L1079-I1083 HydrophobicContact CG-CD1 3.88Å; L1079-I1083 VanDerWaalsContact O-CG1 3.3Å; L1079-I1083 WeakPolarHBondContact O-CG1 3.42Å; L1079-I1083 PolarHBondContact O-N 3.19Å; R1080-I1083 PolarHBondContact O-N 3.26Å
1084	K	91.6	Very high	88.8	Confident	166 Å²	166	59.6 Å²	59.6	72%	0.722	31%	0.305	S	S	*	.	H	α-helix	trans	-71.9	-41.1	174.1	-177.3	-176.2	174.1	-172	0	112.5	R1080 S1081 D1086	R1080-K1084 WeakPolarHBondContact O-CB 3.34Å; R1080-K1084 PolarHBondContact O-N 2.64Å; S1081-K1084 PolarHBondContact O-N 2.59Å; K1084-D1086 PolarHBondContact O-N 3.3Å
1085	N	90.2	Very high	89	Confident	40 Å²	40	59.1 Å²	59.1	21%	0.214	30%	0.301	C	S	.	.	S	Bend	trans	-99.3	68.6	176.7	-57.7	-87.4	0	0	0	108.3	P1068 W1069 S1081 K1082 M1090	P1068-N1085 HydrophobicContact CB-CB 3.98Å; P1068-N1085 VanDerWaalsContact CB-CG 3.44Å; P1068-N1085 HydrophobicContact CG-CB 4.1Å; W1069-N1085 HydrophobicContact CZ3-CB 4.2Å; S1081-N1085 WeakPolarHBondContact O-CB 3.1Å; S1081-N1085 PolarHBondContact O-N 2.98Å; S1081-N1085 PolarHBondContact O-ND2 3.36Å; S1081-N1085 PolarHBondContact OG-ND2 2.9Å; K1082-N1085 CarbonylContact O-C 3.43Å; N1085-M1090 HydrophobicContact CB-CG 4.25Å
1086	D	88.3	Confident	89	Confident	64 Å²	64	60 Å²	60	34%	0.342	31%	0.309	S	S	.	.			trans	-74.2	-177.2	177	80.7	-20.9	0	0	0	111.9	K1084 E1088 N1089 M1090	K1084-D1086 PolarHBondContact O-N 3.3Å; D1086-E1088 VanDerWaalsContact C-N 3.33Å; D1086-E1088 PolarHBondContact O-N 2.9Å; D1086-E1088 PolarHBondContact OD1-N 3.44Å; D1086-N1089 PolarHBondContact O-N 2.86Å; D1086-N1089 PolarHBondContact OD1-N 3.46Å; D1086-N1089 PolarHBondContact OD1-ND2 3.3Å; D1086-M1090 WeakPolarHBondContact O-CB 3.19Å; D1086-M1090 VanDerWaalsContact O-CG 3.29Å; D1086-M1090 WeakPolarHBondContact O-CG 3.33Å; D1086-M1090 PolarHBondContact O-N 2.83Å
1087	I	88.1	Confident	89.1	Confident	18 Å²	18	58.7 Å²	58.7	9%	0.092	30%	0.295	C	S	.	.	H	α-helix	trans	-64.2	-37	-173.9	-166.6	60.6	0	0	0	112.8	F1056 M1090 T1091 F1106	F1056-I1087 HydrophobicContact CD1-CD1 4.16Å; F1056-I1087 HydrophobicContact CE1-CD1 3.5Å; F1056-I1087 HydrophobicContact CE2-CD1 4.18Å; F1056-I1087 HydrophobicContact CZ-CD1 3.52Å; I1087-M1090 PolarHBondContact O-N 3.26Å; I1087-T1091 HydrophobicContact CD1-CG2 3.57Å; I1087-T1091 HydrophobicContact CG1-CG2 3.94Å; I1087-T1091 VanDerWaalsContact O-CG2 3.3Å; I1087-T1091 WeakPolarHBondContact O-CG2 3.42Å; I1087-T1091 PolarHBondContact O-N 3.46Å; I1087-T1091 VanDerWaalsContact O-N 3.12Å; I1087-T1091 PolarHBondContact O-OG1 3.44Å; I1087-T1091 VanDerWaalsContact O-OG1 3.09Å; I1087-F1106 HydrophobicContact CB-CB 4.48Å; I1087-F1106 HydrophobicContact CB-CD1 4.08Å; I1087-F1106 HydrophobicContact CB-CD2 4.4Å; I1087-F1106 HydrophobicContact CB-CE1 4.47Å; I1087-F1106 HydrophobicContact CB-CG 4.04Å; I1087-F1106 HydrophobicContact CD1-CD2 3.62Å; I1087-F1106 HydrophobicContact CD1-CE2 3.73Å; I1087-F1106 HydrophobicContact CD1-CG 4.14Å; I1087-F1106 HydrophobicContact CD1-CZ 4.3Å; I1087-F1106 HydrophobicContact CG1-CB 4.35Å; I1087-F1106 HydrophobicContact CG1-CD2 3.98Å; I1087-F1106 HydrophobicContact CG1-CE2 4.49Å; I1087-F1106 HydrophobicContact CG1-CG 4.01Å; I1087-F1106 HydrophobicContact CG2-CB 4.48Å
1088	E	86.3	Confident	89.1	Confident	106 Å²	106	58.8 Å²	58.8	50%	0.495	30%	0.295	S	S	.	.	H	α-helix	trans	-70.5	-33.3	-179.4	-52.7	-60.4	135	0	0	111.3	D1086 H1103	D1086-E1088 VanDerWaalsContact C-N 3.33Å; D1086-E1088 PolarHBondContact O-N 2.9Å; D1086-E1088 PolarHBondContact OD1-N 3.44Å; E1088-H1103 VanDerWaalsContact CD-CE1 3.45Å; E1088-H1103 IonicContact OE1-CE1 3.8Å; E1088-H1103 PolarHBondContact OE1-CE1 2.92Å; E1088-H1103 VanDerWaalsContact OE1-CE1 3.24Å; E1088-H1103 IonicContact OE1-ND1 3.77Å; E1088-H1103 PolarHBondContact OE1-ND1 3.49Å; E1088-H1103 IonicContact OE2-CE1 3.51Å; E1088-H1103 PolarHBondContact OE2-CE1 3.25Å; E1088-H1103 VanDerWaalsContact OE2-CE1 3.24Å; E1088-H1103 IonicContact OE2-ND1 2.66Å
1089	N	86.4	Confident	89.2	Confident	110 Å²	110	60.7 Å²	60.7	59%	0.588	31%	0.306	S	S	*	.	H	α-helix	trans	-79.1	-23.3	172.4	-73.2	-88.7	0	0	0	113.6	D1086	D1086-N1089 PolarHBondContact O-N 2.86Å; D1086-N1089 PolarHBondContact OD1-N 3.46Å; D1086-N1089 PolarHBondContact OD1-ND2 3.3Å
1090	M	87	Confident	89.2	Confident	6 Å²	6	63.6 Å²	63.6	3%	0.03	32%	0.318	C	S	.	.	H	α-helix	trans	-86.3	-25.9	-179.6	-75.1	-171.8	79.2	0	0	114.2	F1056 Y1057 Y1060 L1067 P1068 W1069 N1085 D1086 I1087 L1094	F1056-M1090 HydrophobicContact CE1-CB 4.46Å; F1056-M1090 HydrophobicContact CE1-CE 4.28Å; F1056-M1090 HydrophobicContact CE1-SD 4.37Å; Y1057-M1090 HydrophobicContact CD1-CE 4.13Å; Y1057-M1090 HydrophobicContact CD1-SD 4.28Å; Y1057-M1090 HydrophobicContact CE1-CE 4.43Å; Y1057-M1090 HydrophobicContact CE1-SD 3.98Å; Y1060-M1090 HydrophobicContact CD1-CE 3.9Å; Y1060-M1090 HydrophobicContact CD2-CE 3.48Å; Y1060-M1090 VanDerWaalsContact CD2-CE 3.48Å; Y1060-M1090 HydrophobicContact CE1-CE 4.08Å; Y1060-M1090 HydrophobicContact CE2-CB 4.2Å; Y1060-M1090 HydrophobicContact CE2-CE 3.67Å; Y1060-M1090 HydrophobicContact CE2-CG 4.48Å; Y1060-M1090 WeakPolarHBondContact CE2-O 3.47Å; Y1060-M1090 HydrophobicContact CG-CE 3.6Å; L1067-M1090 HydrophobicContact CD2-CE 4.01Å; P1068-M1090 HydrophobicContact CG-CE 4.46Å; W1069-M1090 HydrophobicContact CH2-CE 3.87Å; W1069-M1090 HydrophobicContact CH2-SD 3.76Å; W1069-M1090 HydrophobicContact CZ3-CE 4.23Å; W1069-M1090 HydrophobicContact CZ3-SD 3.9Å; N1085-M1090 HydrophobicContact CB-CG 4.25Å; D1086-M1090 WeakPolarHBondContact O-CB 3.19Å; D1086-M1090 VanDerWaalsContact O-CG 3.29Å; D1086-M1090 WeakPolarHBondContact O-CG 3.33Å; D1086-M1090 PolarHBondContact O-N 2.83Å; I1087-M1090 PolarHBondContact O-N 3.26Å; M1090-L1094 WeakPolarHBondContact O-CD1 3.35Å
1091	T	82.1	Confident	89.2	Confident	3 Å²	3	55.8 Å²	55.8	2%	0.018	29%	0.289	C	S	.	.	S	Bend	trans	-95.9	-7.6	-168.2	59.5	0	0	0	0	116.1	F1056 I1087 D1093 L1094 N1099 H1103	F1056-T1091 HydrophobicContact CE2-CG2 4.23Å; F1056-T1091 HydrophobicContact CZ-CG2 3.83Å; I1087-T1091 HydrophobicContact CD1-CG2 3.57Å; I1087-T1091 HydrophobicContact CG1-CG2 3.94Å; I1087-T1091 VanDerWaalsContact O-CG2 3.3Å; I1087-T1091 WeakPolarHBondContact O-CG2 3.42Å; I1087-T1091 PolarHBondContact O-N 3.46Å; I1087-T1091 VanDerWaalsContact O-N 3.12Å; I1087-T1091 PolarHBondContact O-OG1 3.44Å; I1087-T1091 VanDerWaalsContact O-OG1 3.09Å; T1091-D1093 VanDerWaalsContact C-N 3.33Å; T1091-D1093 PolarHBondContact O-N 2.82Å; T1091-L1094 HydrophobicContact CG2-CD1 4.27Å; T1091-L1094 PolarHBondContact O-N 2.85Å; T1091-N1099 WeakPolarHBondContact CB-ND2 3.42Å; T1091-N1099 PolarHBondContact O-ND2 3.38Å; T1091-N1099 PolarHBondContact OG1-ND2 2.99Å; T1091-H1103 PolarHBondContact OG1-CE1 2.96Å; T1091-H1103 VanDerWaalsContact OG1-CE1 3.25Å; T1091-H1103 PolarHBondContact OG1-NE2 2.87Å
1092	T	80.4	Confident	89.1	Confident	100 Å²	100	55 Å²	55	61%	0.613	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-44.1	-176.8	58.2	0	0	0	0	112.7	L1094	T1092-L1094 PolarHBondContact O-N 3.19Å
1093	D	85.9	Confident	89.1	Confident	120 Å²	120	56.4 Å²	56.4	64%	0.642	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	26.6	-171.8	-58.3	6	0	0	0	111.7	K1064 T1091	K1064-D1093 PolarHBondContact NZ-O 3.34Å; T1091-D1093 VanDerWaalsContact C-N 3.33Å; T1091-D1093 PolarHBondContact O-N 2.82Å
1094	L	89.3	Confident	89.2	Confident	14 Å²	14	54.1 Å²	54.1	7%	0.073	28%	0.278	C	S	.	.	S	Bend	trans	-110.1	145.5	178.8	-59.5	-176.9	0	0	0	111.2	F1056 Y1060 L1063 M1090 T1091 T1092 I1096 I1098 N1099	F1056-L1094 HydrophobicContact CE2-CD1 3.94Å; F1056-L1094 HydrophobicContact CZ-CD1 3.81Å; Y1060-L1094 HydrophobicContact CD2-CD1 4Å; Y1060-L1094 HydrophobicContact CD2-CD2 3.94Å; Y1060-L1094 HydrophobicContact CD2-CG 4.47Å; Y1060-L1094 HydrophobicContact CE2-CD1 4.49Å; Y1060-L1094 HydrophobicContact CE2-CD2 4.11Å; L1063-L1094 HydrophobicContact CD1-CD2 4.47Å; M1090-L1094 WeakPolarHBondContact O-CD1 3.35Å; T1091-L1094 HydrophobicContact CG2-CD1 4.27Å; T1091-L1094 PolarHBondContact O-N 2.85Å; T1092-L1094 PolarHBondContact O-N 3.19Å; L1094-I1096 PolarHBondContact O-N 3.3Å; L1094-I1098 HydrophobicContact CB-CB 4.44Å; L1094-I1098 HydrophobicContact CB-CG2 4.48Å; L1094-I1098 HydrophobicContact CD1-CG2 4.1Å; L1094-N1099 HydrophobicContact CB-CB 4.46Å
1095	P	90.3	Very high	89.4	Confident	43 Å²	43	46.2 Å²	46.2	28%	0.279	24%	0.244	S	C	.	.			trans	-53.9	140.1	172.5	-26.9	36.6	0	0	0	111.8	L959 P1097 I1098 N1099	L959-P1095 HydrophobicContact CD1-CB 4.18Å; L959-P1095 HydrophobicContact CD1-CG 3.95Å; L959-P1095 HydrophobicContact CD2-CB 3.85Å; L959-P1095 HydrophobicContact CD2-CG 3.81Å; L959-P1095 HydrophobicContact CG-CG 4.43Å; P1095-P1097 VanDerWaalsContact C-CD 3.44Å; P1095-P1097 VanDerWaalsContact C-N 3.33Å; P1095-P1097 VanDerWaalsContact O-N 3.08Å; P1095-I1098 HydrophobicContact CB-CG1 4.38Å; P1095-I1098 WeakPolarHBondContact O-CA 3.3Å; P1095-I1098 WeakPolarHBondContact O-CB 3.35Å; P1095-I1098 PolarHBondContact O-N 3.34Å; P1095-N1099 PolarHBondContact O-N 2.92Å
1096	I	90.2	Very high	89.6	Confident	115 Å²	115	46.6 Å²	46.6	59%	0.59	24%	0.244	S	C	*	.	H	α-helix	trans	-46.4	-45	-169.5	-65.3	163.2	0	0	0	113.9	L1094 I1098 N1099 Q1100	L1094-I1096 PolarHBondContact O-N 3.3Å; I1096-I1098 VanDerWaalsContact C-N 3.3Å; I1096-I1098 PolarHBondContact O-N 3.26Å; I1096-N1099 PolarHBondContact O-N 3.43Å; I1096-Q1100 HydrophobicContact CG2-CG 4.32Å; I1096-Q1100 WeakPolarHBondContact O-CB 3.42Å; I1096-Q1100 VanDerWaalsContact O-CG 3.26Å; I1096-Q1100 WeakPolarHBondContact O-CG 3.42Å; I1096-Q1100 PolarHBondContact O-N 3.44Å
1097	P	90.5	Very high	89.8	Confident	4 Å²	4	52.6 Å²	52.6	3%	0.026	26%	0.262	C	S	.	.	H	α-helix	trans	-67.1	-28.5	179.5	-19.9	33.7	0	0	0	113.9	P1095 M1101 M1122 A1125 A1126	P1095-P1097 VanDerWaalsContact C-CD 3.44Å; P1095-P1097 VanDerWaalsContact C-N 3.33Å; P1095-P1097 VanDerWaalsContact O-N 3.08Å; P1097-M1101 WeakPolarHBondContact O-CB 3.46Å; P1097-M1101 PolarHBondContact O-N 2.99Å; P1097-M1122 HydrophobicContact CB-CB 4.06Å; P1097-M1122 VanDerWaalsContact CB-O 3.25Å; P1097-M1122 WeakPolarHBondContact CB-O 3.31Å; P1097-A1125 HydrophobicContact CG-CB 4.49Å; P1097-A1126 HydrophobicContact CB-CB 4.25Å; P1097-A1126 HydrophobicContact CG-CB 4.12Å
1098	I	91	Very high	90.1	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-79.4	-39.2	177.9	-50.2	-57.7	0	0	0	110.6	L959 F1056 I1059 L1063 L1094 P1095 I1096 M1101 G1102 F1123	L959-I1098 HydrophobicContact CD1-CG1 4.41Å; F1056-I1098 HydrophobicContact CE2-CG2 4.48Å; I1059-I1098 HydrophobicContact CG2-CD1 4.26Å; I1059-I1098 HydrophobicContact CG2-CG2 3.83Å; L1063-I1098 HydrophobicContact CD1-CG1 4.31Å; L1063-I1098 HydrophobicContact CD1-CG2 4.13Å; L1094-I1098 HydrophobicContact CB-CB 4.44Å; L1094-I1098 HydrophobicContact CB-CG2 4.48Å; L1094-I1098 HydrophobicContact CD1-CG2 4.1Å; P1095-I1098 HydrophobicContact CB-CG1 4.38Å; P1095-I1098 WeakPolarHBondContact O-CA 3.3Å; P1095-I1098 WeakPolarHBondContact O-CB 3.35Å; P1095-I1098 PolarHBondContact O-N 3.34Å; I1096-I1098 VanDerWaalsContact C-N 3.3Å; I1096-I1098 PolarHBondContact O-N 3.26Å; I1098-M1101 PolarHBondContact O-N 3.28Å; I1098-G1102 PolarHBondContact O-N 3.47Å; I1098-F1123 HydrophobicContact CD1-CD1 4.15Å; I1098-F1123 HydrophobicContact CD1-CE1 3.61Å; I1098-F1123 HydrophobicContact CD1-CZ 4.35Å
1099	N	92.2	Very high	90.4	Very high	44 Å²	44	53.9 Å²	53.9	24%	0.235	26%	0.262	C	S	.	.	H	α-helix	trans	-55.9	-52.7	168.4	168.4	-63.9	0	0	0	110.4	T1091 L1094 P1095 I1096 M1101 G1102 H1103	T1091-N1099 WeakPolarHBondContact CB-ND2 3.42Å; T1091-N1099 PolarHBondContact O-ND2 3.38Å; T1091-N1099 PolarHBondContact OG1-ND2 2.99Å; L1094-N1099 HydrophobicContact CB-CB 4.46Å; P1095-N1099 PolarHBondContact O-N 2.92Å; I1096-N1099 PolarHBondContact O-N 3.43Å; N1099-M1101 PolarHBondContact O-N 3.4Å; N1099-G1102 WeakPolarHBondContact O-CA 3.33Å; N1099-G1102 PolarHBondContact O-N 3.44Å; N1099-H1103 PolarHBondContact O-CD2 3.06Å; N1099-H1103 PolarHBondContact O-N 3.28Å; N1099-H1103 VanDerWaalsContact O-N 3.15Å; N1099-H1103 PolarHBondContact OD1-CD2 3.5Å
1100	Q	92	Very high	90.6	Very high	94 Å²	94	51.8 Å²	51.8	44%	0.439	25%	0.248	S	C	.	.	H	α-helix	trans	-59.9	-42.1	178.5	-72.7	173.6	-9.7	0	0	112.9	I1096 G1102 L1104 M1122	I1096-Q1100 HydrophobicContact CG2-CG 4.32Å; I1096-Q1100 WeakPolarHBondContact O-CB 3.42Å; I1096-Q1100 VanDerWaalsContact O-CG 3.26Å; I1096-Q1100 WeakPolarHBondContact O-CG 3.42Å; I1096-Q1100 PolarHBondContact O-N 3.44Å; Q1100-G1102 VanDerWaalsContact C-N 3.29Å; Q1100-G1102 PolarHBondContact O-N 2.89Å; Q1100-L1104 WeakPolarHBondContact O-CB 3.35Å; Q1100-L1104 PolarHBondContact O-N 3.25Å; Q1100-M1122 HydrophobicContact CB-CE 3.91Å; Q1100-M1122 HydrophobicContact CB-SD 4.11Å
1101	M	92.9	Very high	90.7	Very high	1 Å²	1	56 Å²	56	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-56.3	-44.8	171.2	164.5	174.3	178.3	0	0	111.3	L1055 F1056 P1097 I1098 N1099 L1104 V1105 L1119 M1122 F1123	L1055-M1101 HydrophobicContact CB-CE 4.49Å; L1055-M1101 HydrophobicContact CD2-CE 3.74Å; L1055-M1101 HydrophobicContact CG-CE 3.94Å; F1056-M1101 HydrophobicContact CB-CE 4.4Å; P1097-M1101 WeakPolarHBondContact O-CB 3.46Å; P1097-M1101 PolarHBondContact O-N 2.99Å; I1098-M1101 PolarHBondContact O-N 3.28Å; N1099-M1101 PolarHBondContact O-N 3.4Å; M1101-L1104 PolarHBondContact O-N 3Å; M1101-V1105 HydrophobicContact CG-CG1 4.24Å; M1101-V1105 WeakPolarHBondContact O-CG1 3.38Å; M1101-V1105 WeakPolarHBondContact O-CG2 3.49Å; M1101-V1105 PolarHBondContact O-N 2.92Å; M1101-L1119 HydrophobicContact CB-CD2 4.18Å; M1101-L1119 HydrophobicContact CG-CD2 3.76Å; M1101-L1119 HydrophobicContact SD-CD2 4.46Å; M1101-M1122 HydrophobicContact CB-SD 3.99Å; M1101-M1122 PolarHBondContact N-SD 3.43Å; M1101-F1123 HydrophobicContact CE-CE2 4.18Å; M1101-F1123 HydrophobicContact CE-CZ 4.21Å; M1101-F1123 HydrophobicContact SD-CE1 4.46Å; M1101-F1123 HydrophobicContact SD-CE2 3.45Å; M1101-F1123 WeakPolarHBondContact SD-CE2 3.3Å; M1101-F1123 HydrophobicContact SD-CZ 3.39Å; M1101-F1123 WeakPolarHBondContact SD-CZ 3.27Å
1102	G	91.8	Very high	91.2	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-54.9	-60.5	178.1	0	0	0	0	0	112.7	F1056 I1098 N1099 Q1100 L1104 V1105 F1106	F1056-G1102 VanDerWaalsContact CE2-CA 3.5Å; I1098-G1102 PolarHBondContact O-N 3.47Å; N1099-G1102 WeakPolarHBondContact O-CA 3.33Å; N1099-G1102 PolarHBondContact O-N 3.44Å; Q1100-G1102 VanDerWaalsContact C-N 3.29Å; Q1100-G1102 PolarHBondContact O-N 2.89Å; G1102-L1104 PolarHBondContact O-N 2.88Å; G1102-V1105 PolarHBondContact O-N 3.37Å; G1102-F1106 WeakPolarHBondContact O-CD2 3.46Å; G1102-F1106 PolarHBondContact O-N 3.35Å; G1102-F1106 VanDerWaalsContact O-N 3.13Å
1103	H	93.4	Very high	91.8	Very high	31 Å²	31	61 Å²	61	14%	0.144	28%	0.284	C	S	.	.	H	α-helix	trans	-64	-25.4	-179.9	-56	-84.7	0	0	0	112.5	E1088 T1091 N1099 R1107	E1088-H1103 VanDerWaalsContact CD-CE1 3.45Å; E1088-H1103 IonicContact OE1-CE1 3.8Å; E1088-H1103 PolarHBondContact OE1-CE1 2.92Å; E1088-H1103 VanDerWaalsContact OE1-CE1 3.24Å; E1088-H1103 IonicContact OE1-ND1 3.77Å; E1088-H1103 PolarHBondContact OE1-ND1 3.49Å; E1088-H1103 IonicContact OE2-CE1 3.51Å; E1088-H1103 PolarHBondContact OE2-CE1 3.25Å; E1088-H1103 VanDerWaalsContact OE2-CE1 3.24Å; E1088-H1103 IonicContact OE2-ND1 2.66Å; T1091-H1103 PolarHBondContact OG1-CE1 2.96Å; T1091-H1103 VanDerWaalsContact OG1-CE1 3.25Å; T1091-H1103 PolarHBondContact OG1-NE2 2.87Å; N1099-H1103 PolarHBondContact O-CD2 3.06Å; N1099-H1103 PolarHBondContact O-N 3.28Å; N1099-H1103 VanDerWaalsContact O-N 3.15Å; N1099-H1103 PolarHBondContact OD1-CD2 3.5Å; H1103-R1107 WeakPolarHBondContact O-CD 3.46Å; H1103-R1107 VanDerWaalsContact O-CG 3.23Å; H1103-R1107 WeakPolarHBondContact O-CG 3.29Å; H1103-R1107 PolarHBondContact O-NE 3.45Å
1104	L	93.9	Very high	92.2	Very high	56 Å²	56	55.5 Å²	55.5	29%	0.293	26%	0.255	S	S	.	.	H	α-helix	trans	-70.8	-54.7	172.8	-179	59.9	0	0	0	112.2	Q1100 M1101 G1102 F1106 R1107 A1118 L1119 M1122	Q1100-L1104 WeakPolarHBondContact O-CB 3.35Å; Q1100-L1104 PolarHBondContact O-N 3.25Å; M1101-L1104 PolarHBondContact O-N 3Å; G1102-L1104 PolarHBondContact O-N 2.88Å; L1104-F1106 VanDerWaalsContact C-N 3.29Å; L1104-F1106 PolarHBondContact O-N 3.39Å; L1104-R1107 PolarHBondContact O-N 3.04Å; L1104-A1118 HydrophobicContact CD2-CB 3.94Å; L1104-L1119 HydrophobicContact CD2-CD2 3.95Å; L1104-L1119 HydrophobicContact CD2-CG 4.24Å; L1104-M1122 HydrophobicContact CD2-CE 3.9Å; L1104-M1122 HydrophobicContact CD2-SD 4.43Å
1105	V	95	Very high	92.5	Very high	0 Å²	0	59 Å²	59	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-68.6	-28.4	-174.3	-56.9	0	0	0	0	112.9	L1052 R1053 F1056 M1101 G1102 R1107 I1108 L1119	L1052-V1105 HydrophobicContact CB-CB 4.09Å; L1052-V1105 HydrophobicContact CB-CG1 3.9Å; R1053-V1105 HydrophobicContact CG-CG2 4.45Å; F1056-V1105 HydrophobicContact CB-CG2 4.01Å; M1101-V1105 HydrophobicContact CG-CG1 4.24Å; M1101-V1105 WeakPolarHBondContact O-CG1 3.38Å; M1101-V1105 WeakPolarHBondContact O-CG2 3.49Å; M1101-V1105 PolarHBondContact O-N 2.92Å; G1102-V1105 PolarHBondContact O-N 3.37Å; V1105-R1107 VanDerWaalsContact C-N 3.31Å; V1105-R1107 PolarHBondContact O-N 3.35Å; V1105-I1108 HydrophobicContact CB-CD1 4.27Å; V1105-I1108 HydrophobicContact CG1-CD1 4.45Å; V1105-L1119 HydrophobicContact CG1-CD1 4.18Å; V1105-L1119 HydrophobicContact CG1-CD2 3.74Å
1106	F	93.6	Very high	92.8	Very high	48 Å²	48	57.5 Å²	57.5	21%	0.211	26%	0.262	C	S	.	.	H	α-helix	trans	-70.8	-24.7	177.1	-85.5	-106.2	0	0	0	113.4	R1053 F1056 Y1057 I1087 G1102 L1104	R1053-F1106 HydrophobicContact CB-CE2 4.28Å; R1053-F1106 HydrophobicContact CB-CZ 4.35Å; R1053-F1106 HydrophobicContact CG-CD2 4.1Å; R1053-F1106 HydrophobicContact CG-CE1 4.5Å; R1053-F1106 HydrophobicContact CG-CE2 4.01Å; R1053-F1106 HydrophobicContact CG-CG 4.36Å; R1053-F1106 HydrophobicContact CG-CZ 4.23Å; R1053-F1106 PolarHBondContact NH2-O 3.19Å; F1056-F1106 HydrophobicContact CB-CE2 4.37Å; F1056-F1106 AromaticContact CD1-CE2 3.68Å; F1056-F1106 HydrophobicContact CD1-CE2 3.68Å; F1056-F1106 HydrophobicContact CD1-CZ 4.31Å; F1056-F1106 HydrophobicContact CE1-CE2 4.27Å; F1056-F1106 HydrophobicContact CG-CE2 4.16Å; Y1057-F1106 AromaticContact CE1-CZ 3.78Å; Y1057-F1106 HydrophobicContact CE1-CZ 3.78Å; Y1057-F1106 AromaticContact CZ-CZ 3.77Å; I1087-F1106 HydrophobicContact CB-CB 4.48Å; I1087-F1106 HydrophobicContact CB-CD1 4.08Å; I1087-F1106 HydrophobicContact CB-CD2 4.4Å; I1087-F1106 HydrophobicContact CB-CE1 4.47Å; I1087-F1106 HydrophobicContact CB-CG 4.04Å; I1087-F1106 HydrophobicContact CD1-CD2 3.62Å; I1087-F1106 HydrophobicContact CD1-CE2 3.73Å; I1087-F1106 HydrophobicContact CD1-CG 4.14Å; I1087-F1106 HydrophobicContact CD1-CZ 4.3Å; I1087-F1106 HydrophobicContact CG1-CB 4.35Å; I1087-F1106 HydrophobicContact CG1-CD2 3.98Å; I1087-F1106 HydrophobicContact CG1-CE2 4.49Å; I1087-F1106 HydrophobicContact CG1-CG 4.01Å; I1087-F1106 HydrophobicContact CG2-CB 4.48Å; G1102-F1106 WeakPolarHBondContact O-CD2 3.46Å; G1102-F1106 PolarHBondContact O-N 3.35Å; G1102-F1106 VanDerWaalsContact O-N 3.13Å; L1104-F1106 VanDerWaalsContact C-N 3.29Å; L1104-F1106 PolarHBondContact O-N 3.39Å
1107	R	93.5	Very high	93.1	Very high	190 Å²	190	57 Å²	57	72%	0.717	26%	0.261	S	S	*	.	H	α-helix	trans	-80.6	-13.6	178.7	-70	171.7	-173	-170.3	2.1	114.8	H1103 L1104 V1105 R1109	H1103-R1107 WeakPolarHBondContact O-CD 3.46Å; H1103-R1107 VanDerWaalsContact O-CG 3.23Å; H1103-R1107 WeakPolarHBondContact O-CG 3.29Å; H1103-R1107 PolarHBondContact O-NE 3.45Å; L1104-R1107 PolarHBondContact O-N 3.04Å; V1105-R1107 VanDerWaalsContact C-N 3.31Å; V1105-R1107 PolarHBondContact O-N 3.35Å; R1107-R1109 PolarHBondContact O-N 2.82Å
1108	I	94	Very high	93.4	Very high	12 Å²	12	58 Å²	58	6%	0.062	27%	0.27	C	S	.	.			trans	-65.1	120.6	-172.9	-60.2	173.5	0	0	0	111.6	L1052 R1053 V1105 E1112 P1114	L1052-I1108 HydrophobicContact CD1-CD1 3.96Å; R1053-I1108 PolarHBondContact NH2-O 2.92Å; V1105-I1108 HydrophobicContact CB-CD1 4.27Å; V1105-I1108 HydrophobicContact CG1-CD1 4.45Å; I1108-E1112 WeakPolarHBondContact CA-OE2 3.29Å; I1108-E1112 HydrophobicContact CG2-CB 4.23Å; I1108-E1112 HydrophobicContact CG2-CG 4.46Å; I1108-P1114 HydrophobicContact CD1-CB 3.9Å; I1108-P1114 HydrophobicContact CD1-CG 4.1Å; I1108-P1114 HydrophobicContact CG2-CG 4.39Å
1109	R	92.5	Very high	93.6	Very high	139 Å²	139	58 Å²	58	53%	0.525	27%	0.27	S	S	.	.			trans	-74.3	162.8	175.6	-62.7	-179.3	-53.5	-61.9	-7.3	112.2	R1107 D1111 E1112	R1107-R1109 PolarHBondContact O-N 2.82Å; R1109-D1111 VanDerWaalsContact C-N 3.32Å; R1109-D1111 PolarHBondContact O-N 3.26Å; R1109-E1112 HydrophobicContact CB-CB 4.03Å; R1109-E1112 VanDerWaalsContact CZ-CD 3.45Å; R1109-E1112 IonicContact CZ-OE1 3.13Å; R1109-E1112 IonicContact CZ-OE2 3.47Å; R1109-E1112 PolarHBondContact N-OE2 3.14Å; R1109-E1112 IonicContact NH1-OE1 2.75Å; R1109-E1112 PolarHBondContact NH1-OE1 3.5Å; R1109-E1112 IonicContact NH1-OE2 2.94Å; R1109-E1112 PolarHBondContact NH1-OE2 2.87Å; R1109-E1112 VanDerWaalsContact NH2-CD 3.26Å; R1109-E1112 IonicContact NH2-OE1 2.74Å; R1109-E1112 PolarHBondContact NH2-OE1 3.48Å; R1109-E1112 IonicContact NH2-OE2 3.73Å; R1109-E1112 WeakPolarHBondContact O-CB 3.39Å; R1109-E1112 PolarHBondContact O-N 3Å
1110	F	90.8	Very high	93.8	Very high	67 Å²	67	56.1 Å²	56.1	29%	0.294	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-42.8	-174	170.2	-93.7	0	0	0	113.8	V1020 T1023 D1045 S1047	V1020-F1110 HydrophobicContact CG1-CE1 4.17Å; T1023-F1110 HydrophobicContact CG2-CD1 3.88Å; T1023-F1110 HydrophobicContact CG2-CD2 4Å; T1023-F1110 HydrophobicContact CG2-CE1 3.66Å; T1023-F1110 HydrophobicContact CG2-CE2 3.81Å; T1023-F1110 HydrophobicContact CG2-CG 4.05Å; T1023-F1110 HydrophobicContact CG2-CZ 3.63Å; D1045-F1110 HydrophobicContact CB-CE2 3.94Å; D1045-F1110 VanDerWaalsContact O-CD2 3.3Å; D1045-F1110 WeakPolarHBondContact O-CD2 3.39Å; D1045-F1110 VanDerWaalsContact O-CE2 3.27Å; D1045-F1110 WeakPolarHBondContact O-CE2 3.25Å; S1047-F1110 WeakPolarHBondContact CB-O 3.4Å
1111	D	89	Confident	93.8	Very high	95 Å²	95	55.9 Å²	55.9	51%	0.508	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-13.2	-176.7	63.1	-42.3	0	0	0	113.6	R1048 R1109	R1048-D1111 PolarHBondContact NH2-O 2.83Å; R1109-D1111 VanDerWaalsContact C-N 3.32Å; R1109-D1111 PolarHBondContact O-N 3.26Å
1112	E	92.2	Very high	93.8	Very high	57 Å²	57	57.4 Å²	57.4	27%	0.266	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-73	143.4	-173.5	-176.9	161.6	-122.8	0	0	112.5	R1048 I1108 R1109 P1114	R1048-E1112 PolarHBondContact NE-O 3.36Å; R1048-E1112 PolarHBondContact NH2-O 3.24Å; I1108-E1112 WeakPolarHBondContact CA-OE2 3.29Å; I1108-E1112 HydrophobicContact CG2-CB 4.23Å; I1108-E1112 HydrophobicContact CG2-CG 4.46Å; R1109-E1112 HydrophobicContact CB-CB 4.03Å; R1109-E1112 VanDerWaalsContact CZ-CD 3.45Å; R1109-E1112 IonicContact CZ-OE1 3.13Å; R1109-E1112 IonicContact CZ-OE2 3.47Å; R1109-E1112 PolarHBondContact N-OE2 3.14Å; R1109-E1112 IonicContact NH1-OE1 2.75Å; R1109-E1112 PolarHBondContact NH1-OE1 3.5Å; R1109-E1112 IonicContact NH1-OE2 2.94Å; R1109-E1112 PolarHBondContact NH1-OE2 2.87Å; R1109-E1112 VanDerWaalsContact NH2-CD 3.26Å; R1109-E1112 IonicContact NH2-OE1 2.74Å; R1109-E1112 PolarHBondContact NH2-OE1 3.48Å; R1109-E1112 IonicContact NH2-OE2 3.73Å; R1109-E1112 WeakPolarHBondContact O-CB 3.39Å; R1109-E1112 PolarHBondContact O-N 3Å; E1112-P1114 WeakPolarHBondContact O-CD 3.33Å
1113	K	93.4	Very high	93.9	Very high	149 Å²	149	57.5 Å²	57.5	65%	0.648	27%	0.269	S	S	*	.	P	Polyproline II helix	trans	-86.1	119.6	173.7	-177.4	-175.8	175.6	-176	0	108.2
1114	P	94.9	Very high	93.8	Very high	5 Å²	5	60.7 Å²	60.7	3%	0.032	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-58.9	144.2	173.5	-22.2	31.8	0	0	0	112.4	R1048 L1052 I1108 E1112 Y1116	R1048-P1114 HydrophobicContact CB-CG 3.92Å; L1052-P1114 HydrophobicContact CD1-CB 3.42Å; L1052-P1114 VanDerWaalsContact CD1-CB 3.42Å; L1052-P1114 HydrophobicContact CD1-CG 3.52Å; I1108-P1114 HydrophobicContact CD1-CB 3.9Å; I1108-P1114 HydrophobicContact CD1-CG 4.1Å; I1108-P1114 HydrophobicContact CG2-CG 4.39Å; E1112-P1114 WeakPolarHBondContact O-CD 3.33Å; P1114-Y1116 HydrophobicContact CB-CD1 4.34Å; P1114-Y1116 HydrophobicContact CB-CE1 3.89Å; P1114-Y1116 HydrophobicContact CB-CE2 4.21Å; P1114-Y1116 WeakPolarHBondContact CD-OH 3.5Å; P1114-Y1116 HydrophobicContact CG-CE1 4.12Å; P1114-Y1116 VanDerWaalsContact O-CD2 3.29Å; P1114-Y1116 WeakPolarHBondContact O-CD2 3.34Å; P1114-Y1116 WeakPolarHBondContact O-CE2 3.4Å; P1114-Y1116 PolarHBondContact O-N 3.14Å
1115	D	95.8	Very high	93.6	Very high	87 Å²	87	59.9 Å²	59.9	47%	0.465	28%	0.282	S	S	.	.			trans	-82.7	87.8	165.8	-171.5	-9.2	0	0	0	110.2	N1117 A1118 L1119	D1115-N1117 PolarHBondContact O-N 3.01Å; D1115-N1117 WeakPolarHBondContact OD1-CA 3.42Å; D1115-N1117 WeakPolarHBondContact OD1-CB 3.44Å; D1115-N1117 PolarHBondContact OD1-N 2.89Å; D1115-A1118 HydrophobicContact CB-CB 4.02Å; D1115-A1118 PolarHBondContact O-N 2.85Å; D1115-A1118 PolarHBondContact OD1-N 3.44Å; D1115-A1118 WeakPolarHBondContact OD2-CB 3.43Å; D1115-L1119 WeakPolarHBondContact O-CG 3.26Å; D1115-L1119 PolarHBondContact O-N 3.45Å
1116	Y	96.9	Very high	93.3	Very high	12 Å²	12	59.9 Å²	59.9	5%	0.047	28%	0.282	C	S	.	.	H	α-helix	trans	-63.9	-24.1	174	-48.8	-81.8	0	0	0	112.6	V970 R974 H977 L1052 P1114 L1119 L1120	V970-Y1116 HydrophobicContact CG1-CD1 4.49Å; R974-Y1116 HydrophobicContact CB-CD1 3.76Å; R974-Y1116 HydrophobicContact CB-CD2 4.37Å; R974-Y1116 HydrophobicContact CB-CE1 4.3Å; R974-Y1116 HydrophobicContact CB-CG 3.82Å; R974-Y1116 HydrophobicContact CG-CD1 4.33Å; R974-Y1116 HydrophobicContact CG-CD2 4.06Å; R974-Y1116 HydrophobicContact CG-CG 3.87Å; H977-Y1116 WeakPolarHBondContact CB-OH 3.36Å; H977-Y1116 AromaticContact ND1-CE1 3.79Å; H977-Y1116 AromaticContact ND1-CZ 3.7Å; H977-Y1116 PolarHBondContact ND1-OH 3Å; L1052-Y1116 HydrophobicContact CD1-CE1 4.24Å; P1114-Y1116 HydrophobicContact CB-CD1 4.34Å; P1114-Y1116 HydrophobicContact CB-CE1 3.89Å; P1114-Y1116 HydrophobicContact CB-CE2 4.21Å; P1114-Y1116 WeakPolarHBondContact CD-OH 3.5Å; P1114-Y1116 HydrophobicContact CG-CE1 4.12Å; P1114-Y1116 VanDerWaalsContact O-CD2 3.29Å; P1114-Y1116 WeakPolarHBondContact O-CD2 3.34Å; P1114-Y1116 WeakPolarHBondContact O-CE2 3.4Å; P1114-Y1116 PolarHBondContact O-N 3.14Å; Y1116-L1119 PolarHBondContact O-N 3.22Å; Y1116-L1120 WeakPolarHBondContact O-CB 3.36Å; Y1116-L1120 WeakPolarHBondContact O-CD1 3.22Å; Y1116-L1120 WeakPolarHBondContact O-CG 3.21Å; Y1116-L1120 PolarHBondContact O-N 2.75Å
1117	N	96.2	Very high	93.1	Very high	106 Å²	106	58.6 Å²	58.6	57%	0.567	28%	0.276	S	S	*	.	H	α-helix	trans	-75	-40.4	180	-67.4	-21.1	0	0	0	110.6	D1115 L1119 L1120 N1121	D1115-N1117 PolarHBondContact O-N 3.01Å; D1115-N1117 WeakPolarHBondContact OD1-CA 3.42Å; D1115-N1117 WeakPolarHBondContact OD1-CB 3.44Å; D1115-N1117 PolarHBondContact OD1-N 2.89Å; N1117-L1119 VanDerWaalsContact C-N 3.34Å; N1117-L1119 PolarHBondContact O-N 3.27Å; N1117-L1120 PolarHBondContact O-N 2.75Å; N1117-N1121 VanDerWaalsContact O-CB 3.26Å; N1117-N1121 WeakPolarHBondContact O-CB 3.26Å; N1117-N1121 PolarHBondContact O-N 3.38Å; N1117-N1121 PolarHBondContact O-ND2 3.47Å
1118	A	95.8	Very high	92.8	Very high	24 Å²	24	54.9 Å²	54.9	20%	0.198	27%	0.269	C	S	.	.	H	α-helix	trans	-57.2	-47.1	169.5	0	0	0	0	0	111.5	L1104 D1115 N1121 M1122	L1104-A1118 HydrophobicContact CD2-CB 3.94Å; D1115-A1118 HydrophobicContact CB-CB 4.02Å; D1115-A1118 PolarHBondContact O-N 2.85Å; D1115-A1118 PolarHBondContact OD1-N 3.44Å; D1115-A1118 WeakPolarHBondContact OD2-CB 3.43Å; A1118-N1121 PolarHBondContact O-N 2.69Å; A1118-M1122 WeakPolarHBondContact O-CG 3.25Å; A1118-M1122 PolarHBondContact O-N 2.97Å
1119	L	96.2	Very high	92.4	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-62.7	-45.3	178	-65.6	171.6	0	0	0	112.8	V970 L1052 M1101 L1104 V1105 D1115 Y1116 N1117 N1121 M1122 F1123	V970-L1119 HydrophobicContact CG1-CB 3.92Å; V970-L1119 HydrophobicContact CG2-CB 4.32Å; L1052-L1119 HydrophobicContact CD1-CD1 3.96Å; L1052-L1119 HydrophobicContact CD2-CD1 4.11Å; M1101-L1119 HydrophobicContact CB-CD2 4.18Å; M1101-L1119 HydrophobicContact CG-CD2 3.76Å; M1101-L1119 HydrophobicContact SD-CD2 4.46Å; L1104-L1119 HydrophobicContact CD2-CD2 3.95Å; L1104-L1119 HydrophobicContact CD2-CG 4.24Å; V1105-L1119 HydrophobicContact CG1-CD1 4.18Å; V1105-L1119 HydrophobicContact CG1-CD2 3.74Å; D1115-L1119 WeakPolarHBondContact O-CG 3.26Å; D1115-L1119 PolarHBondContact O-N 3.45Å; Y1116-L1119 PolarHBondContact O-N 3.22Å; N1117-L1119 VanDerWaalsContact C-N 3.34Å; N1117-L1119 PolarHBondContact O-N 3.27Å; L1119-N1121 VanDerWaalsContact C-N 3.3Å; L1119-N1121 PolarHBondContact O-N 3.17Å; L1119-M1122 HydrophobicContact CD2-SD 4.42Å; L1119-M1122 PolarHBondContact O-N 3.28Å; L1119-F1123 WeakPolarHBondContact O-CD2 3.26Å; L1119-F1123 PolarHBondContact O-N 3.22Å
1120	L	95	Very high	92.1	Very high	5 Å²	5	57.4 Å²	57.4	3%	0.026	29%	0.287	C	S	.	.	H	α-helix	trans	-65.7	-33.1	175.7	-71.1	167.5	0	0	0	112.2	Y967 V970 E971 Y1116 N1117 R1124	Y967-L1120 HydrophobicContact CD1-CD2 4.37Å; Y967-L1120 HydrophobicContact CD2-CB 4.44Å; Y967-L1120 HydrophobicContact CD2-CD2 3.7Å; Y967-L1120 HydrophobicContact CE1-CD2 4.35Å; Y967-L1120 HydrophobicContact CE2-CB 4.03Å; Y967-L1120 HydrophobicContact CE2-CD2 3.68Å; Y967-L1120 HydrophobicContact CE2-CG 4.43Å; Y967-L1120 HydrophobicContact CG-CD2 4.05Å; Y967-L1120 WeakPolarHBondContact O-CD2 3.36Å; V970-L1120 HydrophobicContact CB-CD2 3.83Å; V970-L1120 HydrophobicContact CB-CG 4.31Å; V970-L1120 HydrophobicContact CG1-CD1 4.42Å; V970-L1120 HydrophobicContact CG1-CD2 3.79Å; V970-L1120 HydrophobicContact CG1-CG 3.7Å; E971-L1120 HydrophobicContact CG-CD1 4.41Å; E971-L1120 HydrophobicContact CG-CD2 3.66Å; Y1116-L1120 WeakPolarHBondContact O-CB 3.36Å; Y1116-L1120 WeakPolarHBondContact O-CD1 3.22Å; Y1116-L1120 WeakPolarHBondContact O-CG 3.21Å; Y1116-L1120 PolarHBondContact O-N 2.75Å; N1117-L1120 PolarHBondContact O-N 2.75Å; L1120-R1124 WeakPolarHBondContact O-CB 3.32Å; L1120-R1124 PolarHBondContact O-N 3.22Å
1121	N	93.2	Very high	91.7	Very high	88 Å²	88	57.2 Å²	57.2	47%	0.471	30%	0.304	S	S	.	.	H	α-helix	trans	-70.1	-36.7	174.1	-74.2	-20.8	0	0	0	112.1	N1117 A1118 L1119 R1124 A1125	N1117-N1121 VanDerWaalsContact O-CB 3.26Å; N1117-N1121 WeakPolarHBondContact O-CB 3.26Å; N1117-N1121 PolarHBondContact O-N 3.38Å; N1117-N1121 PolarHBondContact O-ND2 3.47Å; A1118-N1121 PolarHBondContact O-N 2.69Å; L1119-N1121 VanDerWaalsContact C-N 3.3Å; L1119-N1121 PolarHBondContact O-N 3.17Å; N1121-R1124 PolarHBondContact O-N 3.34Å; N1121-R1124 PolarHBondContact OD1-NH1 3.32Å; N1121-A1125 WeakPolarHBondContact O-CB 3.23Å; N1121-A1125 PolarHBondContact O-N 3.24Å
1122	M	93.6	Very high	91.2	Very high	34 Å²	34	53.1 Å²	53.1	17%	0.167	28%	0.282	C	S	.	.	H	α-helix	trans	-62.7	-48.3	172.6	-69.8	165.2	-175.2	0	0	111.1	P1097 Q1100 M1101 L1104 A1118 L1119 R1124 A1125 A1126	P1097-M1122 HydrophobicContact CB-CB 4.06Å; P1097-M1122 VanDerWaalsContact CB-O 3.25Å; P1097-M1122 WeakPolarHBondContact CB-O 3.31Å; Q1100-M1122 HydrophobicContact CB-CE 3.91Å; Q1100-M1122 HydrophobicContact CB-SD 4.11Å; M1101-M1122 HydrophobicContact CB-SD 3.99Å; M1101-M1122 PolarHBondContact N-SD 3.43Å; L1104-M1122 HydrophobicContact CD2-CE 3.9Å; L1104-M1122 HydrophobicContact CD2-SD 4.43Å; A1118-M1122 WeakPolarHBondContact O-CG 3.25Å; A1118-M1122 PolarHBondContact O-N 2.97Å; L1119-M1122 HydrophobicContact CD2-SD 4.42Å; L1119-M1122 PolarHBondContact O-N 3.28Å; M1122-R1124 PolarHBondContact O-N 3.13Å; M1122-A1125 PolarHBondContact O-N 2.75Å; M1122-A1126 PolarHBondContact O-N 2.8Å
1123	F	93.3	Very high	90	Very high	1 Å²	1	57 Å²	57	0%	0.004	31%	0.31	C	S	.	.	H	α-helix	trans	-64.2	-38	174.5	-78.5	-62	0	0	0	112.8	A963 Y967 V970 I1059 I1098 M1101 L1119 A1126 M1127	A963-F1123 HydrophobicContact CB-CD1 4.45Å; Y967-F1123 HydrophobicContact CD2-CB 4.03Å; Y967-F1123 HydrophobicContact CG-CB 4.5Å; V970-F1123 HydrophobicContact CG2-CD2 3.93Å; V970-F1123 HydrophobicContact CG2-CE2 3.63Å; I1059-F1123 HydrophobicContact CD1-CE1 4.28Å; I1059-F1123 HydrophobicContact CD1-CZ 4.1Å; I1059-F1123 HydrophobicContact CG1-CZ 4.19Å; I1098-F1123 HydrophobicContact CD1-CD1 4.15Å; I1098-F1123 HydrophobicContact CD1-CE1 3.61Å; I1098-F1123 HydrophobicContact CD1-CZ 4.35Å; M1101-F1123 HydrophobicContact CE-CE2 4.18Å; M1101-F1123 HydrophobicContact CE-CZ 4.21Å; M1101-F1123 HydrophobicContact SD-CE1 4.46Å; M1101-F1123 HydrophobicContact SD-CE2 3.45Å; M1101-F1123 WeakPolarHBondContact SD-CE2 3.3Å; M1101-F1123 HydrophobicContact SD-CZ 3.39Å; M1101-F1123 WeakPolarHBondContact SD-CZ 3.27Å; L1119-F1123 WeakPolarHBondContact O-CD2 3.26Å; L1119-F1123 PolarHBondContact O-N 3.22Å; F1123-A1126 PolarHBondContact O-N 3.46Å; F1123-M1127 WeakPolarHBondContact O-CB 3.3Å; F1123-M1127 WeakPolarHBondContact O-CG 3.45Å; F1123-M1127 PolarHBondContact O-N 3.45Å
1124	R	90.5	Very high	88.5	Confident	98 Å²	98	51.6 Å²	51.6	37%	0.37	30%	0.297	S	S	.	.	H	α-helix	trans	-64.6	-37.6	174.2	-169	178.8	-64.2	124.4	-1	112.2	Y967 L1120 N1121 M1122 M1127 I1128	Y967-R1124 HydrophobicContact CE2-CB 4.44Å; Y967-R1124 PolarHBondContact OH-NH2 2.88Å; L1120-R1124 WeakPolarHBondContact O-CB 3.32Å; L1120-R1124 PolarHBondContact O-N 3.22Å; N1121-R1124 PolarHBondContact O-N 3.34Å; N1121-R1124 PolarHBondContact OD1-NH1 3.32Å; M1122-R1124 PolarHBondContact O-N 3.13Å; R1124-M1127 HydrophobicContact CB-CE 4.41Å; R1124-M1127 PolarHBondContact O-N 3.37Å; R1124-I1128 HydrophobicContact CG-CD1 4.01Å; R1124-I1128 WeakPolarHBondContact O-CB 3.37Å; R1124-I1128 VanDerWaalsContact O-CG1 3.27Å; R1124-I1128 WeakPolarHBondContact O-CG1 3.32Å; R1124-I1128 PolarHBondContact O-N 2.89Å
1125	A	89.6	Confident	86.8	Confident	40 Å²	40	58.2 Å²	58.2	33%	0.331	32%	0.321	S	S	.	.	H	α-helix	trans	-64.6	-43.5	173.7	0	0	0	0	0	111.6	P1097 N1121 M1122 M1127 I1128 Q1129	P1097-A1125 HydrophobicContact CG-CB 4.49Å; N1121-A1125 WeakPolarHBondContact O-CB 3.23Å; N1121-A1125 PolarHBondContact O-N 3.24Å; M1122-A1125 PolarHBondContact O-N 2.75Å; A1125-M1127 PolarHBondContact O-N 3.12Å; A1125-I1128 PolarHBondContact O-N 2.75Å; A1125-Q1129 WeakPolarHBondContact O-CB 3.42Å; A1125-Q1129 VanDerWaalsContact O-CG 3.27Å; A1125-Q1129 WeakPolarHBondContact O-CG 3.47Å; A1125-Q1129 PolarHBondContact O-N 3.04Å
1126	A	90	Very high	85.3	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-61.6	-41.6	173	0	0	0	0	0	112.1	L959 A963 P1097 M1122 F1123 Q1129 Q1130	L959-A1126 HydrophobicContact CD1-CB 4.48Å; A963-A1126 HydrophobicContact CB-CB 3.83Å; P1097-A1126 HydrophobicContact CB-CB 4.25Å; P1097-A1126 HydrophobicContact CG-CB 4.12Å; M1122-A1126 PolarHBondContact O-N 2.8Å; F1123-A1126 PolarHBondContact O-N 3.46Å; A1126-Q1129 PolarHBondContact O-N 3.3Å; A1126-Q1130 VanDerWaalsContact O-CG 3.31Å; A1126-Q1130 WeakPolarHBondContact O-CG 3.41Å; A1126-Q1130 PolarHBondContact O-N 3.39Å
1127	M	89.1	Confident	84.1	Confident	20 Å²	20	63 Å²	63	10%	0.099	34%	0.344	C	S	.	.	H	α-helix	trans	-62.3	-45.5	175	-77.7	-166.9	-62.4	0	0	112.3	A963 M964 Y967 F1123 R1124 A1125 Q1129 Q1130 G1131 I1132	A963-M1127 HydrophobicContact CB-CG 3.69Å; M964-M1127 HydrophobicContact CG-CG 4.39Å; M964-M1127 HydrophobicContact CG-SD 3.89Å; Y967-M1127 HydrophobicContact CD1-CE 4.25Å; Y967-M1127 HydrophobicContact CD2-CE 3.4Å; Y967-M1127 VanDerWaalsContact CD2-CE 3.4Å; Y967-M1127 HydrophobicContact CE2-CE 3.99Å; Y967-M1127 HydrophobicContact CG-CE 3.56Å; F1123-M1127 WeakPolarHBondContact O-CB 3.3Å; F1123-M1127 WeakPolarHBondContact O-CG 3.45Å; F1123-M1127 PolarHBondContact O-N 3.45Å; R1124-M1127 HydrophobicContact CB-CE 4.41Å; R1124-M1127 PolarHBondContact O-N 3.37Å; A1125-M1127 PolarHBondContact O-N 3.12Å; M1127-Q1129 PolarHBondContact O-N 3.09Å; M1127-Q1130 CarbonylContact O-C 3.54Å; M1127-Q1130 WeakPolarHBondContact O-CA 3.46Å; M1127-Q1130 PolarHBondContact O-N 3.24Å; M1127-G1131 PolarHBondContact O-N 3.24Å; M1127-I1132 HydrophobicContact CB-CB 3.89Å; M1127-I1132 HydrophobicContact CB-CD1 4.03Å; M1127-I1132 HydrophobicContact CB-CG2 4.03Å; M1127-I1132 HydrophobicContact CG-CB 4.41Å; M1127-I1132 HydrophobicContact CG-CD1 3.78Å; M1127-I1132 HydrophobicContact CG-CG2 4.26Å; M1127-I1132 WeakPolarHBondContact O-CB 3.3Å; M1127-I1132 PolarHBondContact O-N 3.25Å; M1127-I1132 HydrophobicContact SD-CD1 4.41Å; M1127-I1132 HydrophobicContact SD-CG2 4.01Å
1128	I	86.6	Confident	83.4	Confident	112 Å²	112	60 Å²	60	57%	0.574	33%	0.326	S	S	*	.	H	α-helix	trans	-63.3	-40.1	176.3	-70	165.2	0	0	0	111.2	R1124 A1125 Q1130 G1131	R1124-I1128 HydrophobicContact CG-CD1 4.01Å; R1124-I1128 WeakPolarHBondContact O-CB 3.37Å; R1124-I1128 VanDerWaalsContact O-CG1 3.27Å; R1124-I1128 WeakPolarHBondContact O-CG1 3.32Å; R1124-I1128 PolarHBondContact O-N 2.89Å; A1125-I1128 PolarHBondContact O-N 2.75Å; I1128-Q1130 PolarHBondContact O-N 3.21Å; I1128-Q1130 VanDerWaalsContact O-N 3.12Å; I1128-G1131 PolarHBondContact O-N 3.42Å
1129	Q	85.9	Confident	82.5	Confident	116 Å²	116	64.9 Å²	64.9	54%	0.542	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-12.3	172	-74.2	172.3	-4.9	0	0	113.7	A1125 A1126 M1127	A1125-Q1129 WeakPolarHBondContact O-CB 3.42Å; A1125-Q1129 VanDerWaalsContact O-CG 3.27Å; A1125-Q1129 WeakPolarHBondContact O-CG 3.47Å; A1125-Q1129 PolarHBondContact O-N 3.04Å; A1126-Q1129 PolarHBondContact O-N 3.3Å; M1127-Q1129 PolarHBondContact O-N 3.09Å
1130	Q	86.5	Confident	81.8	Confident	88 Å²	88	68.1 Å²	68.1	41%	0.411	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	14.3	175.7	-58.5	-68	-95.9	0	0	112.3	L959 R960 A1126 M1127 I1128 I1132	L959-Q1130 HydrophobicContact CD2-CG 4.4Å; L959-Q1130 HydrophobicContact CG-CG 4.22Å; R960-Q1130 HydrophobicContact CB-CB 4.19Å; R960-Q1130 HydrophobicContact CB-CG 4.39Å; R960-Q1130 HydrophobicContact CG-CB 4.49Å; A1126-Q1130 VanDerWaalsContact O-CG 3.31Å; A1126-Q1130 WeakPolarHBondContact O-CG 3.41Å; A1126-Q1130 PolarHBondContact O-N 3.39Å; M1127-Q1130 CarbonylContact O-C 3.54Å; M1127-Q1130 WeakPolarHBondContact O-CA 3.46Å; M1127-Q1130 PolarHBondContact O-N 3.24Å; I1128-Q1130 PolarHBondContact O-N 3.21Å; I1128-Q1130 VanDerWaalsContact O-N 3.12Å; Q1130-I1132 VanDerWaalsContact C-N 3.31Å; Q1130-I1132 PolarHBondContact O-N 3.06Å
1131	G	82.3	Confident	81.1	Confident	64 Å²	64	71.4 Å²	71.4	66%	0.66	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.4	8.4	176.3	0	0	0	0	0	115.7	M1127 I1128	M1127-G1131 PolarHBondContact O-N 3.24Å; I1128-G1131 PolarHBondContact O-N 3.42Å
1132	I	77.4	Confident	80.4	Confident	8 Å²	8	70.4 Å²	70.4	4%	0.041	38%	0.379	C	S	.	.			trans	-82	123.5	178.1	-61.2	163	0	0	0	109.7	R960 M964 M1127 Q1130 G1134	R960-I1132 HydrophobicContact CG-CD1 3.59Å; R960-I1132 HydrophobicContact CG-CG1 4.14Å; M964-I1132 HydrophobicContact CG-CD1 3.58Å; M964-I1132 HydrophobicContact SD-CD1 3.61Å; M964-I1132 HydrophobicContact SD-CG1 4.42Å; M1127-I1132 HydrophobicContact CB-CB 3.89Å; M1127-I1132 HydrophobicContact CB-CD1 4.03Å; M1127-I1132 HydrophobicContact CB-CG2 4.03Å; M1127-I1132 HydrophobicContact CG-CB 4.41Å; M1127-I1132 HydrophobicContact CG-CD1 3.78Å; M1127-I1132 HydrophobicContact CG-CG2 4.26Å; M1127-I1132 WeakPolarHBondContact O-CB 3.3Å; M1127-I1132 PolarHBondContact O-N 3.25Å; M1127-I1132 HydrophobicContact SD-CD1 4.41Å; M1127-I1132 HydrophobicContact SD-CG2 4.01Å; Q1130-I1132 VanDerWaalsContact C-N 3.31Å; Q1130-I1132 PolarHBondContact O-N 3.06Å; I1132-G1134 WeakPolarHBondContact CG2-O 3.36Å
1133	T	66.9	Low	79.7	Confident	138 Å²	138	72.6 Å²	72.6	85%	0.847	39%	0.392	S	S	*	.			trans	-113.5	-14.1	173.2	56.2	0	0	0	0	114
1134	G	62.5	Low	78.8	Confident	37 Å²	37	77.1 Å²	77.1	38%	0.381	42%	0.416	S	S	.	.	S	Bend	trans	-144.7	-169.2	177.1	0	0	0	0	0	113.6	I1132 H1136	I1132-G1134 WeakPolarHBondContact CG2-O 3.36Å; G1134-H1136 PolarHBondContact N-NE2 2.94Å; G1134-H1136 PolarHBondContact O-CD2 3.32Å; G1134-H1136 PolarHBondContact O-N 3.41Å; G1134-H1136 VanDerWaalsContact O-N 3.07Å
1135	R	60.5	Low	78	Confident	144 Å²	144	75.7 Å²	75.7	54%	0.543	42%	0.419	S	S	.	.			trans	-78	91.2	173.1	-72.1	-179	178.7	163.2	-10.2	110	E921 E971	E921-R1135 IonicContact OE1-CZ 2.69Å; E921-R1135 IonicContact OE1-NH1 2.63Å; E921-R1135 PolarHBondContact OE1-NH1 3.15Å; E921-R1135 IonicContact OE1-NH2 1.79Å; E921-R1135 IonicContact OE2-CZ 3.41Å; E921-R1135 IonicContact OE2-NH1 2.73Å; E921-R1135 PolarHBondContact OE2-NH1 2.86Å; E921-R1135 IonicContact OE2-NH2 3.86Å; E921-R1135 PolarHBondContact OE2-NH2 3.38Å; E971-R1135 IonicContact OE2-NH2 2.67Å; E971-R1135 PolarHBondContact OE2-NH2 3.15Å
1136	H	63.8	Low	77.2	Confident	87 Å²	87	78.2 Å²	78.2	40%	0.403	43%	0.425	S	S	.	.			trans	-86	177.4	171.2	-56.7	-76.7	0	0	0	111	M964 G1134	M964-H1136 WeakPolarHBondContact CE-O 3.49Å; G1134-H1136 PolarHBondContact N-NE2 2.94Å; G1134-H1136 PolarHBondContact O-CD2 3.32Å; G1134-H1136 PolarHBondContact O-N 3.41Å; G1134-H1136 VanDerWaalsContact O-N 3.07Å
1137	L	70.8	Confident	76.2	Confident	113 Å²	113	84.2 Å²	84.2	59%	0.592	46%	0.458	S	S	*	.			trans	-72.6	152.4	163.4	-69.7	168.4	0	0	0	110.5	R960	R960-L1137 PolarHBondContact NH2-O 2.89Å
1138	F	81.5	Confident	75.1	Confident	41 Å²	41	89.6 Å²	89.6	18%	0.18	49%	0.488	C	S	.	.			trans	-57.6	159.5	162	-49.3	-66.7	0	0	0	110.1	T961 M964 I965 V993 R999 G1000 I1002	T961-F1138 HydrophobicContact CG2-CB 4.23Å; T961-F1138 HydrophobicContact CG2-CD1 3.94Å; T961-F1138 HydrophobicContact CG2-CG 4.38Å; M964-F1138 HydrophobicContact CB-CD1 4.18Å; M964-F1138 HydrophobicContact CB-CE1 3.88Å; M964-F1138 HydrophobicContact CE-CD1 3.78Å; M964-F1138 HydrophobicContact CE-CE1 3.96Å; M964-F1138 HydrophobicContact CE-CG 4.49Å; M964-F1138 HydrophobicContact SD-CD1 4.46Å; I965-F1138 HydrophobicContact CG1-CD1 4.26Å; I965-F1138 HydrophobicContact CG1-CE1 3.73Å; I965-F1138 HydrophobicContact CG1-CZ 4.33Å; V993-F1138 HydrophobicContact CG1-CE2 4.13Å; R999-F1138 WeakPolarHBondContact O-CE2 3.48Å; G1000-F1138 VanDerWaalsContact O-CZ 3.29Å; G1000-F1138 WeakPolarHBondContact O-CZ 3.38Å; I1002-F1138 HydrophobicContact CD1-CE1 4.42Å; I1002-F1138 HydrophobicContact CD1-CE2 4Å; I1002-F1138 HydrophobicContact CD1-CZ 3.6Å; I1002-F1138 HydrophobicContact CG1-CZ 3.84Å
1139	D	77	Confident	74.1	Confident	127 Å²	127	87.5 Å²	87.5	68%	0.679	48%	0.48	S	S	*	.			trans	-84.9	0	178.5	50.4	6.6	0	0	0	114.3	T958 R960 T961	T958-D1139 WeakPolarHBondContact CB-OD2 3.36Å; T958-D1139 VanDerWaalsContact CG2-OD2 3.23Å; T958-D1139 WeakPolarHBondContact CG2-OD2 3.22Å; T958-D1139 VanDerWaalsContact OG1-CG 3.24Å; T958-D1139 PolarHBondContact OG1-OD1 2.74Å; T958-D1139 PolarHBondContact OG1-OD2 2.75Å; R960-D1139 WeakPolarHBondContact CD-OD2 3.23Å; T961-D1139 VanDerWaalsContact CB-OD1 3.27Å; T961-D1139 WeakPolarHBondContact CB-OD1 3.41Å; T961-D1139 PolarHBondContact OG1-N 2.78Å; T961-D1139 PolarHBondContact OG1-OD1 3.26Å

Retrieved 1,139 of 1,139 residues in 1034.4 ms (Link to these results)

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