A0A077ZAF7_TRITR Loading...

WD repeat containing protein 35

AlphaFold DB , UniProt , Accession A0A077ZAF7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 962 aa.

						>A0A077ZAF7_TRITR|A0A077ZAF7
MRLYYGSEGDVFASVRQQGFQYEISIPNNTQLMCISWNQADNYIACGGDQGLLKVVKLNSHLKSHSKATSASSDVSIDINLEGHSGQHNAVGELRRITLNAVSGSVLVAVWNTKFQKLTTVDSRGYIIVWVPHNGTWYEEMINNRNKSTVNSMKWSSDGSKICIAYNDGMVIVGSVDGNKLWVSELHQNIVAVEWSPYDKLILLGTTSGEIYVYDSSGNFQSKIKVPVALNQLENQQLVCIDWGNSTHDFEGPSYPRCLAIVYQQGYLQLLFNEKDKHPLTANLPIQVIVAKWNPDGTVLAVLAEKAELPSGERSMIYFINGYGEPIHMLKIPAMQARGCSWEKSGLCLAIAADSSIILANIKAEYKTDQDSLAVSEKNKLIIFKGTEAQEPVFINARICELGTVSLRAIHLDDLIQDEEPVKNNYFADIPTKTLSDAIDLVKSNDIKSLQRYVEENQDPALRRRIAEEALRRMDVELAELLFVQLTDYNGIQFLRTLISLTDPLLKKAEIYAYLGEIDQAEKQLIESGRIDLAIALHRKCRNWKKVLQLMKDNLGITSDVRLDQVYIELGDHCAELRQWEQAANFYKQAKCSEKLITSYQMLEEYQPMLDLVDSLTDVDQMEEIVTTLTNAGLSSEAQEIIKKCRENKVFTEEQAARWKQMGLFVESSQTTVKDSQNFVQDEILPASTQDLTQILDVIQLHRKNKRLDHAAKMLFQMAKRDDVQNAGPLLLKYIHVLGALLVEMHKDRQYKDSSSSESVTRLTSTRPKTLNDLLLDQSDHANFYATDNPWRGAQAYHYYILSQRILYQGDAATAMKIALLLRDYEDKINAEEIYSLLALTSCNCGYFSICSKAFVKLEIMYNNRYDAEDNPYETLAYSVFTQNGIKDPADSGYLCPGCKGTIASYLTRCPNCDRSFPVCLVTGKTITDQQSMWTCKTCRHNADSTAMLGQNVCPLCHAMIE
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	22.9	Very low	26.5	Very low	235 Å²	235	145 Å²	145	100%	1.158	76%	0.763	S	S	*	*				0	109.5	0	-78.2	-179.5	-125.3	0	0	106.9
2	R	25	Very low	26.8	Very low	186 Å²	186	141.7 Å²	141.7	70%	0.702	74%	0.738	S	S	*	*			trans	-93.5	104.6	177	-89.9	171.9	168.2	-177.1	2.7	107.5	Y4	R2-Y4 HydrophobicContact CB-CD2 4.24Å; R2-Y4 HydrophobicContact CB-CE2 4.04Å; R2-Y4 HydrophobicContact CG-CD2 4.48Å; R2-Y4 HydrophobicContact CG-CE2 3.81Å
3	L	24.8	Very low	27	Very low	151 Å²	151	133.6 Å²	133.6	79%	0.791	70%	0.704	S	S	*	*			trans	-103.6	113.8	159.8	-80.5	159.5	0	0	0	105.1
4	Y	30.6	Very low	27.2	Very low	182 Å²	182	126.9 Å²	126.9	71%	0.714	67%	0.674	S	S	*	*			trans	-101.6	110	169.9	-78.9	-85.7	0	0	0	107.7	R2	R2-Y4 HydrophobicContact CB-CD2 4.24Å; R2-Y4 HydrophobicContact CB-CE2 4.04Å; R2-Y4 HydrophobicContact CG-CD2 4.48Å; R2-Y4 HydrophobicContact CG-CE2 3.81Å
5	Y	25.4	Very low	27.6	Very low	174 Å²	174	119.3 Å²	119.3	68%	0.682	63%	0.634	S	S	*	*			trans	-130.9	126.5	160.1	-92.3	-82.8	0	0	0	106	H248	Y5-H248 PolarHBondContact OH-CE1 2.87Å
6	G	26	Very low	27.8	Very low	62 Å²	62	124 Å²	124	64%	0.639	64%	0.64	S	S	*	*			trans	139.5	98.6	166.8	0	0	0	0	0	115.4
7	S	26	Very low	28	Very low	111 Å²	111	126.6 Å²	126.6	78%	0.776	65%	0.649	S	S	*	*			trans	44.3	121.9	134.1	59.7	0	0	0	0	121
8	E	26.1	Very low	28.3	Very low	199 Å²	199	129.7 Å²	129.7	93%	0.93	66%	0.66	S	S	*	*	S	Bend	trans	67	88	156.8	-61	-172.8	167	0	0	117.2
9	G	28	Very low	29.3	Very low	69 Å²	69	125.9 Å²	125.9	71%	0.711	66%	0.657	S	S	*	*			trans	140.5	76.1	164.7	0	0	0	0	0	113.7	V11	G9-V11 PolarHBondContact O-N 3.16Å; G9-V11 VanDerWaalsContact O-N 3.14Å
10	D	29.6	Very low	30.4	Very low	113 Å²	113	122.9 Å²	122.9	60%	0.604	64%	0.638	S	S	*	*			trans	-34.3	109.6	174.9	-59.2	-51.5	0	0	0	114.8	F12	D10-F12 HydrophobicContact CB-CD2 3.53Å; D10-F12 HydrophobicContact CB-CE1 4.38Å; D10-F12 HydrophobicContact CB-CE2 3.23Å; D10-F12 HydrophobicContact CB-CG 4.25Å; D10-F12 HydrophobicContact CB-CZ 3.69Å; D10-F12 WeakPolarHBondContact O-CD2 3.45Å; D10-F12 PolarHBondContact O-N 3.32Å
11	V	27.5	Very low	31.6	Very low	113 Å²	113	121.4 Å²	121.4	69%	0.685	63%	0.628	S	S	*	*			trans	-78.1	81.1	157	-176.3	0	0	0	0	106.8	G9 A13	G9-V11 PolarHBondContact O-N 3.16Å; G9-V11 VanDerWaalsContact O-N 3.14Å; V11-A13 PolarHBondContact O-N 3.48Å
12	F	30	Very low	33.8	Very low	105 Å²	105	112.9 Å²	112.9	46%	0.461	58%	0.583	S	S	.	*			trans	-55.8	108.2	167.3	-71.4	-80.5	0	0	0	108.8	D10 S14	D10-F12 HydrophobicContact CB-CD2 3.53Å; D10-F12 HydrophobicContact CB-CE1 4.38Å; D10-F12 HydrophobicContact CB-CE2 3.23Å; D10-F12 HydrophobicContact CB-CG 4.25Å; D10-F12 HydrophobicContact CB-CZ 3.69Å; D10-F12 WeakPolarHBondContact O-CD2 3.45Å; D10-F12 PolarHBondContact O-N 3.32Å; F12-S14 PolarHBondContact O-N 3.16Å
13	A	29.4	Very low	36.4	Very low	37 Å²	37	110 Å²	110	31%	0.306	58%	0.578	S	S	.	*			trans	-72.8	76.3	164.2	0	0	0	0	0	108.4	V11 V15 I327 A364	V11-A13 PolarHBondContact O-N 3.48Å; A13-V15 PolarHBondContact O-N 3.36Å; A13-I327 WeakPolarHBondContact O-CG2 3.42Å; A13-A364 HydrophobicContact CB-CB 3.65Å
14	S	30	Very low	39.3	Very low	40 Å²	40	104 Å²	104	28%	0.28	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	129	166.8	34.2	0	0	0	0	108.6	F12 E365	F12-S14 PolarHBondContact O-N 3.16Å; S14-E365 WeakPolarHBondContact CB-OE2 3.5Å; S14-E365 WeakPolarHBondContact O-CB 3.36Å; S14-E365 VanDerWaalsContact O-CG 3.24Å; S14-E365 WeakPolarHBondContact O-CG 3.41Å; S14-E365 PolarHBondContact O-N 3.18Å; S14-E365 WeakPolarHBondContact OG-CB 3.42Å; S14-E365 PolarHBondContact OG-OE2 3.04Å
15	V	32.6	Very low	41.8	Very low	12 Å²	12	99.2 Å²	99.2	7%	0.073	54%	0.54	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	114.5	173.6	178.1	0	0	0	0	106.4	A13 I327 H328 I362	A13-V15 PolarHBondContact O-N 3.36Å; V15-I327 HydrophobicContact CG2-CG2 4.47Å; V15-H328 HydrophobicContact CB-CB 3.69Å; V15-H328 HydrophobicContact CG2-CB 4.02Å; V15-H328 PolarHBondContact O-CD2 3.13Å; V15-H328 PolarHBondContact O-CE1 3.49Å; V15-H328 PolarHBondContact O-ND1 3.22Å; V15-H328 PolarHBondContact O-NE2 3.17Å; V15-I362 HydrophobicContact CG2-CG2 3.93Å
16	R	30.9	Very low	44.6	Very low	195 Å²	195	91.2 Å²	91.2	74%	0.736	51%	0.509	S	S	*	.			trans	-100.3	140.6	168.1	-112.2	-158.2	-173.5	146.8	-9	110.7	Q18 E365	R16-Q18 PolarHBondContact O-N 3.16Å; R16-Q18 VanDerWaalsContact O-N 3.15Å; R16-E365 HydrophobicContact CB-CG 4.16Å; R16-E365 WeakPolarHBondContact CB-OE1 3.25Å; R16-E365 WeakPolarHBondContact CD-OE1 3.48Å; R16-E365 WeakPolarHBondContact CG-OE1 3.29Å; R16-E365 IonicContact CZ-OE1 3.73Å; R16-E365 IonicContact NE-OE1 2.7Å; R16-E365 IonicContact NH1-OE1 3.87Å
17	Q	31.2	Very low	46.8	Very low	169 Å²	169	91.4 Å²	91.4	79%	0.79	50%	0.498	S	S	*	.			trans	-40.9	113.7	173	-89	-178.7	-23	0	0	113.1
18	Q	34.3	Very low	49	Very low	182 Å²	182	93.4 Å²	93.4	85%	0.85	50%	0.5	S	S	*	.				-118.4	126.5	120.2	-79.3	-171.2	-18	0	0	106.4	R16	R16-Q18 PolarHBondContact O-N 3.16Å; R16-Q18 VanDerWaalsContact O-N 3.15Å
19	G	46	Very low	51.5	Low	57 Å²	57	90.6 Å²	90.6	59%	0.588	49%	0.492	S	S	*	.			trans	-59	171.5	-172.9	0	0	0	0	0	113.6	Q21	G19-Q21 PolarHBondContact O-N 3.32Å
20	F	51.7	Low	54.2	Low	66 Å²	66	88.3 Å²	88.3	29%	0.289	46%	0.464	S	S	.	.			trans	-38.9	115.6	171.5	-59.5	-73.1	0	0	0	110.7	K331 I332 P333 I351 I358 A360	F20-K331 WeakPolarHBondContact CE2-O 3.5Å; F20-K331 WeakPolarHBondContact CZ-O 3.49Å; F20-I332 HydrophobicContact CZ-CB 4.44Å; F20-I332 HydrophobicContact CZ-CG1 4.29Å; F20-P333 HydrophobicContact CD2-CG 3.56Å; F20-P333 HydrophobicContact CE2-CG 3.83Å; F20-P333 HydrophobicContact CG-CG 4.1Å; F20-P333 HydrophobicContact CZ-CG 4.44Å; F20-I351 HydrophobicContact CE1-CD1 4.38Å; F20-I358 HydrophobicContact CB-CG2 4.04Å; F20-I358 HydrophobicContact CD1-CB 4.46Å; F20-I358 HydrophobicContact CD1-CG2 2.96Å; F20-I358 HydrophobicContact CE1-CG2 3.5Å; F20-I358 VanDerWaalsContact CE1-CG2 3.5Å; F20-I358 HydrophobicContact CG-CG2 3.71Å; F20-A360 HydrophobicContact CD1-CB 4.15Å; F20-A360 HydrophobicContact CE1-CB 4.14Å
21	Q	55	Low	57.1	Low	91 Å²	91	85.5 Å²	85.5	43%	0.425	45%	0.447	S	S	.	.			trans	-85.3	-33.4	-170	-160.5	-174.2	-3.3	0	0	110.7	G19 L359 N361	G19-Q21 PolarHBondContact O-N 3.32Å; Q21-L359 PolarHBondContact N-O 2.75Å; Q21-N361 PolarHBondContact OE1-ND2 2.56Å
22	Y	69.9	Low	60.2	Low	56 Å²	56	80.1 Å²	80.1	22%	0.22	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	140	-177.3	-64	-81	0	0	0	111.4	A71 S73 L359	Y22-A71 PolarHBondContact OH-O 2.83Å; Y22-S73 WeakPolarHBondContact CD2-OG 3.44Å; Y22-S73 WeakPolarHBondContact CE1-OG 3.4Å; Y22-S73 VanDerWaalsContact CE2-OG 3.27Å; Y22-S73 WeakPolarHBondContact CE2-OG 3.45Å; Y22-S73 VanDerWaalsContact CZ-OG 3.31Å; Y22-S73 PolarHBondContact OH-N 2.76Å; Y22-L359 PolarHBondContact O-N 3.49Å
23	E	80.4	Confident	63.2	Low	125 Å²	125	77.3 Å²	77.3	58%	0.584	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121	121.3	170	-172.2	-176.3	165.3	0	0	107.4	S356 I357 I358	E23-S356 VanDerWaalsContact CG-CB 3.49Å; E23-S356 WeakPolarHBondContact OE1-CB 3.44Å; E23-S356 PolarHBondContact OE1-OG 3.42Å; E23-I357 CarbonylContact C-O 3.59Å; E23-I357 WeakPolarHBondContact CA-O 3.44Å; E23-I358 HydrophobicContact CG-CG1 4.42Å
24	I	84.1	Confident	66.2	Low	27 Å²	27	76.1 Å²	76.1	14%	0.138	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	100.2	174.8	-53.3	172.8	0	0	0	106.8	V56 L58 V75 S356 I357	I24-V56 HydrophobicContact CD1-CG1 4.3Å; I24-L58 HydrophobicContact CD1-CD2 4.29Å; I24-V75 HydrophobicContact CD1-CG2 4.41Å; I24-S356 CarbonylContact O-C 3.56Å; I24-S356 WeakPolarHBondContact O-CA 3.3Å; I24-I357 HydrophobicContact CB-CB 4.17Å; I24-I357 PolarHBondContact N-O 2.85Å; I24-I357 PolarHBondContact O-N 3.2Å
25	S	84.3	Confident	69.3	Low	81 Å²	81	75 Å²	75	57%	0.566	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.9	138.3	179.4	-51.8	0	0	0	0	111.7
26	I	83.5	Confident	72.3	Confident	6 Å²	6	75.3 Å²	75.3	3%	0.031	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-97.1	132.2	175.8	-55.2	-66.9	0	0	0	108.4	L32 L52 K54 S355	I26-L32 HydrophobicContact CD1-CD1 4.46Å; I26-L32 HydrophobicContact CD1-CD2 4.38Å; I26-L32 HydrophobicContact CG1-CD1 3.89Å; I26-L32 HydrophobicContact CG1-CD2 3.95Å; I26-L32 HydrophobicContact CG1-CG 4.05Å; I26-L52 HydrophobicContact CG2-CD2 3.31Å; I26-K54 HydrophobicContact CD1-CD 3.67Å; I26-S355 WeakPolarHBondContact CA-O 3.11Å; I26-S355 WeakPolarHBondContact CB-O 3.21Å; I26-S355 WeakPolarHBondContact CG1-O 3.27Å; I26-S355 PolarHBondContact N-O 2.83Å
27	P	72.1	Confident	75.3	Confident	65 Å²	65	66.6 Å²	66.6	42%	0.422	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-62.4	159.6	179.6	23	-31.2	0	0	0	112.9	N29 T30	P27-N29 VanDerWaalsContact C-N 3.32Å; P27-N29 PolarHBondContact O-N 3.11Å; P27-T30 PolarHBondContact O-OG1 3.04Å; P27-T30 VanDerWaalsContact O-OG1 3.07Å
28	N	72.9	Confident	78.2	Confident	153 Å²	153	58.7 Å²	58.7	82%	0.818	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	66.6	18.7	175.6	-54.5	-28	0	0	0	116.3	T30	N28-T30 PolarHBondContact O-N 3.29Å; N28-T30 VanDerWaalsContact O-N 3.1Å
29	N	77.3	Confident	80.6	Confident	140 Å²	140	53.8 Å²	53.8	75%	0.749	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	50.8	33.8	-176.3	-66.5	-10.2	0	0	0	112.2	P27 Q31	P27-N29 VanDerWaalsContact C-N 3.32Å; P27-N29 PolarHBondContact O-N 3.11Å; N29-Q31 PolarHBondContact O-N 3.46Å
30	T	84.9	Confident	82.5	Confident	21 Å²	21	53.3 Å²	53.3	13%	0.129	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-70.6	122.9	-179.3	-49	0	0	0	0	108.4	P27 N28 L32 D49 L52 S355	P27-T30 PolarHBondContact O-OG1 3.04Å; P27-T30 VanDerWaalsContact O-OG1 3.07Å; N28-T30 PolarHBondContact O-N 3.29Å; N28-T30 VanDerWaalsContact O-N 3.1Å; T30-L32 PolarHBondContact O-N 2.92Å; T30-D49 HydrophobicContact CG2-CB 4.08Å; T30-D49 WeakPolarHBondContact CG2-O 3.49Å; T30-L52 HydrophobicContact CG2-CB 3.96Å; T30-L52 HydrophobicContact CG2-CD2 3.74Å; T30-L52 HydrophobicContact CG2-CG 4.47Å; T30-S355 WeakPolarHBondContact O-CA 3.25Å; T30-S355 VanDerWaalsContact O-CB 3.3Å; T30-S355 WeakPolarHBondContact O-CB 3.15Å
31	Q	90.2	Very high	83.9	Confident	55 Å²	55	53 Å²	53	26%	0.257	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-69.1	126.2	177.9	-175.3	166.3	8	0	0	109.9	N29 M33 G48 D49 D354	N29-Q31 PolarHBondContact O-N 3.46Å; Q31-M33 HydrophobicContact CG-SD 4.26Å; Q31-G48 CarbonylContact O-C 3.58Å; Q31-G48 WeakPolarHBondContact O-CA 3.3Å; Q31-D49 PolarHBondContact O-N 2.9Å; Q31-D354 CarbonylContact C-O 3.55Å; Q31-D354 WeakPolarHBondContact CA-O 3.48Å
32	L	92.9	Very high	85.3	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	134.2	172.9	-67.9	-176.3	0	0	0	110.1	I26 T30 C46 L52 R338 A352 D354 S356 I357	I26-L32 HydrophobicContact CD1-CD1 4.46Å; I26-L32 HydrophobicContact CD1-CD2 4.38Å; I26-L32 HydrophobicContact CG1-CD1 3.89Å; I26-L32 HydrophobicContact CG1-CD2 3.95Å; I26-L32 HydrophobicContact CG1-CG 4.05Å; T30-L32 PolarHBondContact O-N 2.92Å; L32-C46 HydrophobicContact CD1-CB 4.35Å; L32-C46 HydrophobicContact CD2-CB 4.06Å; L32-L52 HydrophobicContact CD2-CD2 4.26Å; L32-R338 WeakPolarHBondContact O-CG 3.45Å; L32-A352 HydrophobicContact CB-CB 3.8Å; L32-A352 HydrophobicContact CD1-CB 4.09Å; L32-D354 PolarHBondContact N-O 3.11Å; L32-S356 WeakPolarHBondContact CD1-O 3.37Å; L32-I357 HydrophobicContact CD1-CG1 3.79Å
33	M	92.5	Very high	86.3	Confident	45 Å²	45	48.9 Å²	48.9	22%	0.222	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	-29.5	-175.8	-63.8	-57.6	-71.5	0	0	112.2	Q31 G47 V106 L107	Q31-M33 HydrophobicContact CG-SD 4.26Å; M33-G47 PolarHBondContact N-O 3.23Å; M33-V106 WeakPolarHBondContact CB-O 3.31Å; M33-L107 HydrophobicContact CB-CD2 4.31Å; M33-L107 HydrophobicContact CE-CD2 4.07Å
34	C	93.3	Very high	86.9	Confident	13 Å²	13	42.9 Å²	42.9	9%	0.088	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	157.7	176.5	69.5	0	0	0	0	112.7	C46 G47 L107	C34-C46 VanDerWaalsContact O-CA 3.3Å; C34-C46 WeakPolarHBondContact O-CA 3.39Å; C34-G47 PolarHBondContact N-O 3.37Å; C34-G47 PolarHBondContact O-N 2.76Å; C34-L107 VanDerWaalsContact CB-O 3.23Å; C34-L107 WeakPolarHBondContact CB-O 3.48Å
35	I	95.2	Very high	87.3	Confident	15 Å²	15	41.6 Å²	41.6	8%	0.077	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	144.5	174.3	-167.5	165.4	0	0	0	110.3	I44 A45 C46 G339 A350 A352 I357	I35-I44 HydrophobicContact CD1-CG2 3.82Å; I35-I44 HydrophobicContact CG1-CG2 3.69Å; I35-A45 CarbonylContact C-O 3.6Å; I35-A45 WeakPolarHBondContact CA-O 3.41Å; I35-C46 HydrophobicContact CG1-CB 4.49Å; I35-G339 VanDerWaalsContact CG2-C 3.49Å; I35-G339 WeakPolarHBondContact CG2-O 3.48Å; I35-A350 HydrophobicContact CD1-CB 3.67Å; I35-A350 HydrophobicContact CG1-CB 4.49Å; I35-A352 HydrophobicContact CB-CB 3.85Å; I35-A352 HydrophobicContact CG2-CB 3.96Å; I35-I357 HydrophobicContact CD1-CB 4.38Å; I35-I357 HydrophobicContact CD1-CD1 4.49Å; I35-I357 HydrophobicContact CD1-CG1 4.17Å; I35-I357 HydrophobicContact CD1-CG2 3.51Å
36	S	95.1	Very high	87.7	Confident	19 Å²	19	37.8 Å²	37.8	13%	0.133	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	130.1	177.7	-162.7	0	0	0	0	110.6	I44 A45 A109 W111	S36-I44 WeakPolarHBondContact O-CA 3.45Å; S36-A45 PolarHBondContact N-O 3.2Å; S36-A45 PolarHBondContact O-N 3.37Å; S36-A109 WeakPolarHBondContact CB-O 3.05Å; S36-A109 PolarHBondContact OG-O 3.46Å; S36-W111 PolarHBondContact O-NE1 3.39Å
37	W	94.1	Very high	88.2	Confident	13 Å²	13	37.5 Å²	37.5	5%	0.049	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	122.5	-178.9	-158	-28.6	0	0	0	110.2	Q39 I44 L58 S341 E343 C348 A350 L359	W37-Q39 PolarHBondContact O-N 2.92Å; W37-I44 HydrophobicContact CB-CG1 4.4Å; W37-I44 HydrophobicContact CD2-CD1 3.88Å; W37-I44 HydrophobicContact CD2-CG1 3.78Å; W37-I44 HydrophobicContact CE3-CD1 4.09Å; W37-I44 HydrophobicContact CE3-CG1 4.42Å; W37-I44 HydrophobicContact CG-CD1 4.39Å; W37-I44 HydrophobicContact CG-CG1 3.77Å; W37-I44 HydrophobicContact CH2-CD1 4.27Å; W37-I44 HydrophobicContact CZ2-CD1 4.09Å; W37-I44 HydrophobicContact CZ3-CD1 4.28Å; W37-L58 HydrophobicContact CH2-CD1 4.05Å; W37-L58 HydrophobicContact CZ2-CD1 3.66Å; W37-S341 WeakPolarHBondContact CB-OG 3.3Å; W37-S341 PolarHBondContact N-OG 2.96Å; W37-E343 HydrophobicContact CD2-CB 4.21Å; W37-E343 HydrophobicContact CE3-CB 4.09Å; W37-E343 HydrophobicContact CH2-CB 3.81Å; W37-E343 HydrophobicContact CH2-CG 4.04Å; W37-E343 HydrophobicContact CZ2-CB 3.9Å; W37-E343 HydrophobicContact CZ2-CG 3.7Å; W37-E343 HydrophobicContact CZ3-CB 3.9Å; W37-C348 HydrophobicContact CH2-CB 4.12Å; W37-C348 HydrophobicContact CZ3-CB 4.3Å; W37-A350 HydrophobicContact CD2-CB 4.47Å; W37-A350 HydrophobicContact CE3-CB 3.49Å; W37-A350 VanDerWaalsContact CE3-CB 3.49Å; W37-A350 HydrophobicContact CZ3-CB 3.69Å; W37-L359 HydrophobicContact CH2-CD2 4.16Å; W37-L359 HydrophobicContact CZ3-CD2 4.02Å
38	N	92.1	Very high	89.1	Confident	3 Å²	3	34.4 Å²	34.4	2%	0.016	19%	0.185	C	C	.	.			trans	-70.9	113.2	171.2	-175.3	-19.5	0	0	0	110.1	A40 D41 N42 Y43 W111 T113	N38-A40 PolarHBondContact O-N 3.33Å; N38-A40 WeakPolarHBondContact OD1-CB 3.49Å; N38-A40 PolarHBondContact OD1-N 3.33Å; N38-D41 PolarHBondContact OD1-N 2.9Å; N38-N42 PolarHBondContact O-N 3.13Å; N38-Y43 WeakPolarHBondContact CB-O 3.3Å; N38-Y43 PolarHBondContact N-O 3.19Å; N38-W111 HydrophobicContact CB-CD2 3.64Å; N38-W111 HydrophobicContact CB-CE3 4.04Å; N38-W111 HydrophobicContact CB-CG 3.88Å; N38-W111 HydrophobicContact CB-CZ2 4.17Å; N38-W111 HydrophobicContact CB-CZ3 4.46Å; N38-T113 WeakPolarHBondContact OD1-CG2 3.47Å
39	Q	85	Confident	89.9	Confident	78 Å²	78	29.3 Å²	29.3	36%	0.364	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-7.2	-178.7	-62.4	178.8	-8.2	0	0	114.3	W37 K344	W37-Q39 PolarHBondContact O-N 2.92Å; Q39-K344 HydrophobicContact CB-CB 4.22Å; Q39-K344 HydrophobicContact CB-CG 4.43Å; Q39-K344 WeakPolarHBondContact O-CB 3.37Å; Q39-K344 VanDerWaalsContact O-CD 3.22Å; Q39-K344 WeakPolarHBondContact O-CD 3.49Å; Q39-K344 WeakPolarHBondContact O-CG 3.15Å
40	A	85.4	Confident	90.2	Very high	48 Å²	48	29.3 Å²	29.3	40%	0.397	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-50.6	177.9	0	0	0	0	0	112.4	N38	N38-A40 PolarHBondContact O-N 3.33Å; N38-A40 WeakPolarHBondContact OD1-CB 3.49Å; N38-A40 PolarHBondContact OD1-N 3.33Å
41	D	82.3	Confident	90.1	Very high	58 Å²	58	28.5 Å²	28.5	31%	0.31	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.6	9.3	-163.2	-62.3	-48	0	0	0	114.6	N38 Y43	N38-D41 PolarHBondContact OD1-N 2.9Å; D41-Y43 HydrophobicContact CB-CD2 3.6Å; D41-Y43 HydrophobicContact CB-CE2 3.78Å; D41-Y43 PolarHBondContact O-N 3.28Å
42	N	84.4	Confident	90	Very high	31 Å²	31	27.3 Å²	27.3	17%	0.166	14%	0.144	C	C	.	.			trans	57.6	30.3	-180	-65.9	-27.8	0	0	0	115.1	N38 L58	N38-N42 PolarHBondContact O-N 3.13Å; N42-L58 PolarHBondContact O-N 3.33Å; N42-L58 VanDerWaalsContact O-N 3.09Å
43	Y	90.1	Very high	89.9	Confident	30 Å²	30	27.3 Å²	27.3	12%	0.118	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	140.3	166.2	-70.2	-82.8	0	0	0	110.9	N38 D41 V55 V56 K57 I77 W111 W137	N38-Y43 WeakPolarHBondContact CB-O 3.3Å; N38-Y43 PolarHBondContact N-O 3.19Å; D41-Y43 HydrophobicContact CB-CD2 3.6Å; D41-Y43 HydrophobicContact CB-CE2 3.78Å; D41-Y43 PolarHBondContact O-N 3.28Å; Y43-V55 HydrophobicContact CD1-CG1 3.72Å; Y43-V55 HydrophobicContact CG-CG1 4.34Å; Y43-V56 CarbonylContact C-O 3.58Å; Y43-V56 WeakPolarHBondContact CA-O 3.34Å; Y43-K57 HydrophobicContact CD1-CB 3.72Å; Y43-K57 HydrophobicContact CD1-CD 4.47Å; Y43-K57 HydrophobicContact CD1-CG 4.02Å; Y43-K57 HydrophobicContact CE1-CB 3.59Å; Y43-K57 HydrophobicContact CE1-CD 3.77Å; Y43-K57 HydrophobicContact CE1-CG 3.81Å; Y43-K57 HydrophobicContact CE2-CD 4.19Å; Y43-K57 HydrophobicContact CE2-CG 4.44Å; Y43-K57 HydrophobicContact CG-CG 4.47Å; Y43-K57 PolarHBondContact OH-NZ 2.92Å; Y43-I77 HydrophobicContact CE1-CD1 4.47Å; Y43-W111 HydrophobicContact CG-CH2 4.45Å; Y43-W137 HydrophobicContact CD1-CZ2 4.38Å; Y43-W137 HydrophobicContact CE1-CZ2 4.37Å
44	I	92.3	Very high	89.8	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	121.6	170.2	-61.3	176.6	0	0	0	107.3	I35 S36 W37 V55 V56 L58 A350 I357 L359	I35-I44 HydrophobicContact CD1-CG2 3.82Å; I35-I44 HydrophobicContact CG1-CG2 3.69Å; S36-I44 WeakPolarHBondContact O-CA 3.45Å; W37-I44 HydrophobicContact CB-CG1 4.4Å; W37-I44 HydrophobicContact CD2-CD1 3.88Å; W37-I44 HydrophobicContact CD2-CG1 3.78Å; W37-I44 HydrophobicContact CE3-CD1 4.09Å; W37-I44 HydrophobicContact CE3-CG1 4.42Å; W37-I44 HydrophobicContact CG-CD1 4.39Å; W37-I44 HydrophobicContact CG-CG1 3.77Å; W37-I44 HydrophobicContact CH2-CD1 4.27Å; W37-I44 HydrophobicContact CZ2-CD1 4.09Å; W37-I44 HydrophobicContact CZ3-CD1 4.28Å; I44-V55 CarbonylContact O-C 3.48Å; I44-V55 WeakPolarHBondContact O-CA 3.44Å; I44-V56 PolarHBondContact N-O 2.83Å; I44-V56 PolarHBondContact O-N 3.05Å; I44-L58 HydrophobicContact CD1-CD1 3.58Å; I44-L58 HydrophobicContact CD1-CG 4.28Å; I44-L58 HydrophobicContact CG1-CD1 4.46Å; I44-A350 HydrophobicContact CD1-CB 4.06Å; I44-I357 HydrophobicContact CG2-CD1 4.24Å; I44-L359 HydrophobicContact CD1-CD2 3.98Å
45	A	93.4	Very high	89.7	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	131.7	169.3	0	0	0	0	0	108.9	I35 S36 K54 V55 A109 W111 L118	I35-A45 CarbonylContact C-O 3.6Å; I35-A45 WeakPolarHBondContact CA-O 3.41Å; S36-A45 PolarHBondContact N-O 3.2Å; S36-A45 PolarHBondContact O-N 3.37Å; A45-K54 CarbonylContact C-O 3.58Å; A45-K54 WeakPolarHBondContact CA-O 3.4Å; A45-V55 HydrophobicContact CB-CG2 4.3Å; A45-A109 HydrophobicContact CB-CB 4.29Å; A45-W111 HydrophobicContact CB-CZ2 3.6Å; A45-L118 HydrophobicContact CB-CD1 3.83Å; A45-L118 HydrophobicContact CB-CD2 3.78Å; A45-L118 HydrophobicContact CB-CG 4.49Å
46	C	93.6	Very high	89.3	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	137.4	171.4	65.9	0	0	0	0	110.3	L32 C34 I35 K54 I357	L32-C46 HydrophobicContact CD1-CB 4.35Å; L32-C46 HydrophobicContact CD2-CB 4.06Å; C34-C46 VanDerWaalsContact O-CA 3.3Å; C34-C46 WeakPolarHBondContact O-CA 3.39Å; I35-C46 HydrophobicContact CG1-CB 4.49Å; C46-K54 PolarHBondContact N-O 3.44Å; C46-K54 PolarHBondContact O-N 3.02Å; C46-I357 HydrophobicContact CB-CD1 4.02Å; C46-I357 HydrophobicContact CB-CG1 4.35Å
47	G	92.6	Very high	88.9	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	144.7	177.1	0	0	0	0	0	109.6	M33 C34 L52	M33-G47 PolarHBondContact N-O 3.23Å; C34-G47 PolarHBondContact N-O 3.37Å; C34-G47 PolarHBondContact O-N 2.76Å; G47-L52 CarbonylContact C-O 3.57Å; G47-L52 WeakPolarHBondContact CA-O 3.48Å
48	G	91.3	Very high	88.3	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	-170.5	179.7	0	0	0	0	0	113	Q31 L52 S105 V106	Q31-G48 CarbonylContact O-C 3.58Å; Q31-G48 WeakPolarHBondContact O-CA 3.3Å; G48-L52 PolarHBondContact N-O 3.12Å; G48-S105 WeakPolarHBondContact O-CA 2.71Å; G48-V106 PolarHBondContact O-N 3.13Å
49	D	89.2	Confident	87.2	Confident	47 Å²	47	29.9 Å²	29.9	25%	0.251	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-63.2	162.8	175.5	-74.9	-25.2	0	0	0	113.2	T30 Q31 G51 L52 S105	T30-D49 HydrophobicContact CG2-CB 4.08Å; T30-D49 WeakPolarHBondContact CG2-O 3.49Å; Q31-D49 PolarHBondContact O-N 2.9Å; D49-G51 PolarHBondContact O-N 3.4Å; D49-G51 VanDerWaalsContact O-N 3.13Å; D49-L52 WeakPolarHBondContact O-CB 3.38Å; D49-L52 PolarHBondContact O-N 3.05Å; D49-L52 VanDerWaalsContact O-N 3.12Å; D49-S105 WeakPolarHBondContact OD1-CB 3.47Å; D49-S105 PolarHBondContact OD1-OG 2.88Å
50	Q	83.7	Confident	85.7	Confident	140 Å²	140	30.2 Å²	30.2	65%	0.654	17%	0.166	S	C	*	.	G	3₁₀ helix	trans	59	25	176.9	-54.9	-62.5	-25.2	0	0	114.3	L52	Q50-L52 VanDerWaalsContact C-N 3.31Å
51	G	83.4	Confident	83.7	Confident	3 Å²	3	35.6 Å²	35.6	3%	0.031	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	76.5	15.4	-180	0	0	0	0	0	114.2	D49 L53 G104	D49-G51 PolarHBondContact O-N 3.4Å; D49-G51 VanDerWaalsContact O-N 3.13Å; G51-L53 PolarHBondContact O-N 3.25Å; G51-G104 WeakPolarHBondContact CA-O 3.34Å; G51-G104 PolarHBondContact N-O 3.49Å; G51-G104 VanDerWaalsContact N-O 3.1Å
52	L	88.6	Confident	81.2	Confident	30 Å²	30	40.6 Å²	40.6	16%	0.157	21%	0.208	C	C	.	.			trans	-62.1	121.5	174.3	179.4	75.5	0	0	0	109.9	I26 T30 L32 G47 G48 D49 Q50	I26-L52 HydrophobicContact CG2-CD2 3.31Å; T30-L52 HydrophobicContact CG2-CB 3.96Å; T30-L52 HydrophobicContact CG2-CD2 3.74Å; T30-L52 HydrophobicContact CG2-CG 4.47Å; L32-L52 HydrophobicContact CD2-CD2 4.26Å; G47-L52 CarbonylContact C-O 3.57Å; G47-L52 WeakPolarHBondContact CA-O 3.48Å; G48-L52 PolarHBondContact N-O 3.12Å; D49-L52 WeakPolarHBondContact O-CB 3.38Å; D49-L52 PolarHBondContact O-N 3.05Å; D49-L52 VanDerWaalsContact O-N 3.12Å; Q50-L52 VanDerWaalsContact C-N 3.31Å
53	L	90.8	Very high	78.5	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	123.5	165.4	174.6	60.4	0	0	0	107.9	G51 N80 L81 V106 T120 W130	G51-L53 PolarHBondContact O-N 3.25Å; L53-N80 WeakPolarHBondContact O-CA 3.33Å; L53-L81 HydrophobicContact CB-CB 4.15Å; L53-L81 HydrophobicContact CD2-CB 3.8Å; L53-L81 HydrophobicContact CD2-CD1 3.73Å; L53-L81 HydrophobicContact CD2-CG 4.32Å; L53-L81 HydrophobicContact CG-CB 3.93Å; L53-L81 HydrophobicContact CG-CD1 4.01Å; L53-L81 HydrophobicContact CG-CG 4.35Å; L53-L81 PolarHBondContact O-N 3.3Å; L53-V106 HydrophobicContact CB-CG2 4.4Å; L53-T120 HydrophobicContact CD1-CG2 3.78Å; L53-T120 HydrophobicContact CD2-CG2 3.6Å; L53-T120 HydrophobicContact CG-CG2 4.36Å; L53-W130 HydrophobicContact CD2-CZ2 3.85Å
54	K	89.7	Confident	75.5	Confident	9 Å²	9	51.8 Å²	51.8	4%	0.039	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	130.1	-174.9	-173.1	174.8	-174.6	-179.5	0	110.4	I26 A45 C46 V56 D78 I79 N80	I26-K54 HydrophobicContact CD1-CD 3.67Å; A45-K54 CarbonylContact C-O 3.58Å; A45-K54 WeakPolarHBondContact CA-O 3.4Å; C46-K54 PolarHBondContact N-O 3.44Å; C46-K54 PolarHBondContact O-N 3.02Å; K54-V56 HydrophobicContact CG-CG2 4.24Å; K54-D78 WeakPolarHBondContact CE-OD1 3.49Å; K54-D78 WeakPolarHBondContact CE-OD2 3.3Å; K54-D78 IonicContact NZ-OD1 3.12Å; K54-D78 PolarHBondContact NZ-OD1 3.41Å; K54-D78 IonicContact NZ-OD2 3.34Å; K54-D78 PolarHBondContact NZ-OD2 3.09Å; K54-I79 WeakPolarHBondContact CA-O 3.3Å; K54-N80 WeakPolarHBondContact CG-OD1 3.46Å
55	V	90.6	Very high	72.4	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	116.8	-179.2	-179	0	0	0	0	109.1	Y43 I44 A45 I79 L81 W111 L118 W137	Y43-V55 HydrophobicContact CD1-CG1 3.72Å; Y43-V55 HydrophobicContact CG-CG1 4.34Å; I44-V55 CarbonylContact O-C 3.48Å; I44-V55 WeakPolarHBondContact O-CA 3.44Å; A45-V55 HydrophobicContact CB-CG2 4.3Å; V55-I79 PolarHBondContact N-O 2.88Å; V55-I79 PolarHBondContact O-N 3.22Å; V55-L81 HydrophobicContact CG2-CD1 3.69Å; V55-L81 HydrophobicContact CG2-CG 4.38Å; V55-W111 HydrophobicContact CG1-CH2 4.13Å; V55-W111 HydrophobicContact CG1-CZ2 4.46Å; V55-L118 HydrophobicContact CG2-CD2 3.78Å; V55-W137 HydrophobicContact CG1-CZ2 3.95Å
56	V	88.6	Confident	69.3	Low	0 Å²	0	67 Å²	67	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	130.9	-174.7	-175.8	0	0	0	0	109.6	I24 Y43 I44 K54 V75 I77	I24-V56 HydrophobicContact CD1-CG1 4.3Å; Y43-V56 CarbonylContact C-O 3.58Å; Y43-V56 WeakPolarHBondContact CA-O 3.34Å; I44-V56 PolarHBondContact N-O 2.83Å; I44-V56 PolarHBondContact O-N 3.05Å; K54-V56 HydrophobicContact CG-CG2 4.24Å; V56-V75 HydrophobicContact CG1-CG1 3.58Å; V56-V75 HydrophobicContact CG1-CG2 4.17Å; V56-I77 CarbonylContact C-O 3.49Å; V56-I77 WeakPolarHBondContact CA-O 3.45Å
57	K	86.2	Confident	66.2	Low	61 Å²	61	76.6 Å²	76.6	27%	0.265	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	128.6	173	-165.4	-179.5	-168.4	159.6	0	111.2	Y43 S76 I77	Y43-K57 HydrophobicContact CD1-CB 3.72Å; Y43-K57 HydrophobicContact CD1-CD 4.47Å; Y43-K57 HydrophobicContact CD1-CG 4.02Å; Y43-K57 HydrophobicContact CE1-CB 3.59Å; Y43-K57 HydrophobicContact CE1-CD 3.77Å; Y43-K57 HydrophobicContact CE1-CG 3.81Å; Y43-K57 HydrophobicContact CE2-CD 4.19Å; Y43-K57 HydrophobicContact CE2-CG 4.44Å; Y43-K57 HydrophobicContact CG-CG 4.47Å; Y43-K57 PolarHBondContact OH-NZ 2.92Å; K57-S76 PolarHBondContact O-N 3.45Å; K57-S76 PolarHBondContact O-OG 3.11Å; K57-I77 HydrophobicContact CB-CB 3.76Å; K57-I77 HydrophobicContact CB-CG1 4.24Å; K57-I77 HydrophobicContact CD-CD1 3.89Å; K57-I77 HydrophobicContact CD-CG1 4.27Å; K57-I77 PolarHBondContact N-O 3.31Å
58	L	82	Confident	63	Low	19 Å²	19	81.2 Å²	81.2	10%	0.099	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	137.4	175	-60.6	177.2	0	0	0	111.1	I24 W37 N42 I44 V75 L359	I24-L58 HydrophobicContact CD1-CD2 4.29Å; W37-L58 HydrophobicContact CH2-CD1 4.05Å; W37-L58 HydrophobicContact CZ2-CD1 3.66Å; N42-L58 PolarHBondContact O-N 3.33Å; N42-L58 VanDerWaalsContact O-N 3.09Å; I44-L58 HydrophobicContact CD1-CD1 3.58Å; I44-L58 HydrophobicContact CD1-CG 4.28Å; I44-L58 HydrophobicContact CG1-CD1 4.46Å; L58-V75 HydrophobicContact CD2-CG2 4.25Å; L58-L359 HydrophobicContact CD1-CD1 3.84Å; L58-L359 HydrophobicContact CD2-CD1 4.45Å
59	N	67.4	Low	60	Low	72 Å²	72	87.4 Å²	87.4	39%	0.385	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-78.5	124.3	175.3	-76	-22.4	0	0	0	111.6	H61 D74 S76	N59-H61 PolarHBondContact O-N 3.38Å; N59-D74 WeakPolarHBondContact CB-O 3.26Å; N59-D74 VanDerWaalsContact CG-O 3.29Å; N59-D74 PolarHBondContact ND2-O 3.28Å; N59-S76 WeakPolarHBondContact OD1-CB 3.46Å; N59-S76 PolarHBondContact OD1-OG 3.04Å
60	S	54.7	Low	57	Low	86 Å²	86	90.5 Å²	90.5	60%	0.601	50%	0.495	S	S	*	.			trans	-81.6	103.4	173.8	63.6	0	0	0	0	111.1	L62	S60-L62 PolarHBondContact O-N 3.1Å
61	H	43.2	Very low	54.3	Low	161 Å²	161	87.8 Å²	87.8	75%	0.745	50%	0.497	S	S	*	.			trans	-76.5	87.2	170.3	-97.6	-78.7	0	0	0	111.2	N59	N59-H61 PolarHBondContact O-N 3.38Å
62	L	29.8	Very low	52	Low	163 Å²	163	90.8 Å²	90.8	85%	0.853	52%	0.518	S	S	*	.			trans	-129.7	68.6	164	-85.8	163.6	0	0	0	110.1	S60	S60-L62 PolarHBondContact O-N 3.1Å
63	K	27.5	Very low	50	Low	194 Å²	194	91.3 Å²	91.3	84%	0.843	52%	0.523	S	S	*	.			trans	-145.4	111.3	158.3	-71.4	-165.8	179.9	176.2	0	111.8
64	S	26.3	Very low	48.2	Very low	102 Å²	102	95.9 Å²	95.9	71%	0.713	55%	0.548	S	S	*	.			trans	43.3	119.6	146	65	0	0	0	0	121.6
65	H	27.1	Very low	46.8	Very low	201 Å²	201	98.4 Å²	98.4	93%	0.931	56%	0.564	S	S	*	*			trans	36.3	85.8	145.4	-69.2	-65.4	0	0	0	118.7
66	S	29.7	Very low	45.3	Very low	117 Å²	117	101 Å²	101	82%	0.818	58%	0.582	S	S	*	*			trans	-153.7	135.9	146.1	55.1	0	0	0	0	111	A68	S66-A68 PolarHBondContact O-N 3.42Å
67	K	27.9	Very low	44	Very low	203 Å²	203	103.2 Å²	103.2	88%	0.883	59%	0.594	S	S	*	*			trans	-53.2	130.1	-176.6	-75.1	169.1	170.9	174.5	0	112.3
68	A	26.2	Very low	43.2	Very low	96 Å²	96	104.3 Å²	104.3	79%	0.793	60%	0.602	S	S	*	*			trans	20.3	96.6	144	0	0	0	0	0	117.5	S66	S66-A68 PolarHBondContact O-N 3.42Å
69	T	26.9	Very low	43	Very low	130 Å²	130	105.2 Å²	105.2	80%	0.798	61%	0.607	S	S	*	*			trans	-158.2	122.1	142.2	34.5	0	0	0	0	108.8
70	S	27.6	Very low	43.6	Very low	112 Å²	112	106.1 Å²	106.1	78%	0.783	61%	0.611	S	S	*	*			trans	34.5	98.3	165.4	58.2	0	0	0	0	117.6	S72	S70-S72 PolarHBondContact O-N 3.15Å; S70-S72 VanDerWaalsContact O-N 3.16Å
71	A	27.4	Very low	44.8	Very low	83 Å²	83	102.5 Å²	102.5	69%	0.686	59%	0.586	S	S	*	*			trans	-68.5	108.5	166.5	0	0	0	0	0	109.4	Y22	Y22-A71 PolarHBondContact OH-O 2.83Å
72	S	34.4	Very low	46.5	Very low	67 Å²	67	101.4 Å²	101.4	47%	0.469	58%	0.581	S	S	.	*			trans	-103.1	125.3	152.4	57.9	0	0	0	0	106.9	S70 D74	S70-S72 PolarHBondContact O-N 3.15Å; S70-S72 VanDerWaalsContact O-N 3.16Å; S72-D74 PolarHBondContact O-N 2.71Å; S72-D74 VanDerWaalsContact O-N 3.14Å; S72-D74 PolarHBondContact OG-OD1 2.63Å
73	S	46.1	Very low	48.6	Very low	40 Å²	40	93.7 Å²	93.7	28%	0.28	54%	0.541	S	S	.	.			trans	-76.6	93.6	165.1	45.4	0	0	0	0	107	Y22 V75	Y22-S73 WeakPolarHBondContact CD2-OG 3.44Å; Y22-S73 WeakPolarHBondContact CE1-OG 3.4Å; Y22-S73 VanDerWaalsContact CE2-OG 3.27Å; Y22-S73 WeakPolarHBondContact CE2-OG 3.45Å; Y22-S73 VanDerWaalsContact CZ-OG 3.31Å; Y22-S73 PolarHBondContact OH-N 2.76Å; S73-V75 PolarHBondContact O-N 2.97Å; S73-V75 VanDerWaalsContact O-N 3.14Å
74	D	54	Low	51.1	Low	97 Å²	97	84.5 Å²	84.5	52%	0.519	50%	0.501	S	S	.	.			trans	-63.5	115.5	178.4	-77.1	-4	0	0	0	109.5	N59 S72 S76	N59-D74 WeakPolarHBondContact CB-O 3.26Å; N59-D74 VanDerWaalsContact CG-O 3.29Å; N59-D74 PolarHBondContact ND2-O 3.28Å; S72-D74 PolarHBondContact O-N 2.71Å; S72-D74 VanDerWaalsContact O-N 3.14Å; S72-D74 PolarHBondContact OG-OD1 2.63Å; D74-S76 PolarHBondContact O-N 3.34Å
75	V	59.4	Low	53	Low	63 Å²	63	81 Å²	81	38%	0.382	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	119.4	168.6	172.9	0	0	0	0	107.9	I24 V56 L58 S73 D78	I24-V75 HydrophobicContact CD1-CG2 4.41Å; V56-V75 HydrophobicContact CG1-CG1 3.58Å; V56-V75 HydrophobicContact CG1-CG2 4.17Å; L58-V75 HydrophobicContact CD2-CG2 4.25Å; S73-V75 PolarHBondContact O-N 2.97Å; S73-V75 VanDerWaalsContact O-N 3.14Å; V75-D78 HydrophobicContact CG1-CB 4.27Å
76	S	58.9	Low	54.4	Low	54 Å²	54	72.7 Å²	72.7	38%	0.378	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	-29	-177	44.2	0	0	0	0	114.2	K57 N59 D74	K57-S76 PolarHBondContact O-N 3.45Å; K57-S76 PolarHBondContact O-OG 3.11Å; N59-S76 WeakPolarHBondContact OD1-CB 3.46Å; N59-S76 PolarHBondContact OD1-OG 3.04Å; D74-S76 PolarHBondContact O-N 3.34Å
77	I	61.2	Low	55.2	Low	47 Å²	47	74.8 Å²	74.8	24%	0.241	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	128.9	-179	-59.6	-178.6	0	0	0	107.9	Y43 V56 K57 I79	Y43-I77 HydrophobicContact CE1-CD1 4.47Å; V56-I77 CarbonylContact C-O 3.49Å; V56-I77 WeakPolarHBondContact CA-O 3.45Å; K57-I77 HydrophobicContact CB-CB 3.76Å; K57-I77 HydrophobicContact CB-CG1 4.24Å; K57-I77 HydrophobicContact CD-CD1 3.89Å; K57-I77 HydrophobicContact CD-CG1 4.27Å; K57-I77 PolarHBondContact N-O 3.31Å; I77-I79 HydrophobicContact CG2-CD1 3.36Å; I77-I79 HydrophobicContact CG2-CG1 3.57Å
78	D	70	Confident	56	Low	84 Å²	84	69.3 Å²	69.3	45%	0.449	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	102	176.1	-170	6.6	0	0	0	110	K54 V75	K54-D78 WeakPolarHBondContact CE-OD1 3.49Å; K54-D78 WeakPolarHBondContact CE-OD2 3.3Å; K54-D78 IonicContact NZ-OD1 3.12Å; K54-D78 PolarHBondContact NZ-OD1 3.41Å; K54-D78 IonicContact NZ-OD2 3.34Å; K54-D78 PolarHBondContact NZ-OD2 3.09Å; V75-D78 HydrophobicContact CG1-CB 4.27Å
79	I	78.3	Confident	56.4	Low	38 Å²	38	72.6 Å²	72.6	20%	0.195	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	127.8	-172.4	-61.5	169.6	0	0	0	110.4	K54 V55 I77 L81 G135	K54-I79 WeakPolarHBondContact CA-O 3.3Å; V55-I79 PolarHBondContact N-O 2.88Å; V55-I79 PolarHBondContact O-N 3.22Å; I77-I79 HydrophobicContact CG2-CD1 3.36Å; I77-I79 HydrophobicContact CG2-CG1 3.57Å; I79-L81 HydrophobicContact CG2-CD2 3.72Å; I79-L81 HydrophobicContact CG2-CG 4.5Å; I79-G135 WeakPolarHBondContact CD1-O 3.36Å
80	N	79.4	Confident	56.9	Low	90 Å²	90	70 Å²	70	48%	0.481	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	134.5	166.8	-65.8	-27.1	0	0	0	109.8	L53 K54	L53-N80 WeakPolarHBondContact O-CA 3.33Å; K54-N80 WeakPolarHBondContact CG-OD1 3.46Å
81	L	79.9	Confident	57.2	Low	11 Å²	11	72.1 Å²	72.1	6%	0.058	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	117.9	178.9	-57.8	-178.9	0	0	0	109.2	L53 V55 I79 G83 W130 W137	L53-L81 HydrophobicContact CB-CB 4.15Å; L53-L81 HydrophobicContact CD2-CB 3.8Å; L53-L81 HydrophobicContact CD2-CD1 3.73Å; L53-L81 HydrophobicContact CD2-CG 4.32Å; L53-L81 HydrophobicContact CG-CB 3.93Å; L53-L81 HydrophobicContact CG-CD1 4.01Å; L53-L81 HydrophobicContact CG-CG 4.35Å; L53-L81 PolarHBondContact O-N 3.3Å; V55-L81 HydrophobicContact CG2-CD1 3.69Å; V55-L81 HydrophobicContact CG2-CG 4.38Å; I79-L81 HydrophobicContact CG2-CD2 3.72Å; I79-L81 HydrophobicContact CG2-CG 4.5Å; L81-G83 PolarHBondContact O-N 3.12Å; L81-W130 HydrophobicContact CB-CE3 4.4Å; L81-W130 HydrophobicContact CB-CH2 3.78Å; L81-W130 HydrophobicContact CB-CZ2 3.99Å; L81-W130 HydrophobicContact CB-CZ3 3.98Å; L81-W130 HydrophobicContact CD1-CD2 3.79Å; L81-W130 HydrophobicContact CD1-CE3 3.9Å; L81-W130 HydrophobicContact CD1-CG 4.16Å; L81-W130 HydrophobicContact CD1-CZ3 4.33Å; L81-W130 HydrophobicContact CD2-CE3 4.25Å; L81-W130 HydrophobicContact CD2-CZ3 4.19Å; L81-W130 HydrophobicContact CG-CE3 4.41Å; L81-W130 HydrophobicContact CG-CZ3 4.39Å; L81-W137 HydrophobicContact CD1-CB 4.4Å; L81-W137 HydrophobicContact CD1-CG 4.49Å; L81-W137 HydrophobicContact CD2-CB 3.49Å; L81-W137 VanDerWaalsContact CD2-CB 3.49Å; L81-W137 HydrophobicContact CD2-CG 4.02Å
82	E	79.2	Confident	57.5	Low	137 Å²	137	71 Å²	71	64%	0.64	42%	0.42	S	S	*	.			trans	-90.1	1.8	-167.2	-65.8	-176.5	171.3	0	0	114.2	H84 S85	E82-H84 PolarHBondContact O-N 2.92Å; E82-S85 VanDerWaalsContact O-CB 3.26Å; E82-S85 WeakPolarHBondContact O-CB 3.3Å; E82-S85 PolarHBondContact O-N 3.06Å; E82-S85 PolarHBondContact O-OG 2.88Å
83	G	72.7	Confident	57.2	Low	2 Å²	2	77.5 Å²	77.5	2%	0.021	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-27.2	-169.9	0	0	0	0	0	115.6	L81 H88 E139	L81-G83 PolarHBondContact O-N 3.12Å; G83-H88 WeakPolarHBondContact CA-NE2 3.44Å; G83-H88 PolarHBondContact O-NE2 3.38Å; G83-E139 WeakPolarHBondContact CA-OE1 3.29Å
84	H	80.5	Confident	56.6	Low	0 Å²	0	83.3 Å²	83.3	0%	0	47%	0.47	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-9	177.4	-67.7	-73.6	0	0	0	114.3	E82 G86 V106 T120 D122 R124 Y126	E82-H84 PolarHBondContact O-N 2.92Å; H84-G86 PolarHBondContact O-N 3.21Å; H84-V106 HydrophobicContact CB-CG2 3.9Å; H84-T120 PolarHBondContact NE2-OG1 2.61Å; H84-D122 WeakPolarHBondContact ND1-CB 3.32Å; H84-D122 IonicContact ND1-OD2 2.74Å; H84-D122 PolarHBondContact ND1-OD2 2.84Å; H84-R124 PolarHBondContact O-NH2 2.78Å; H84-Y126 PolarHBondContact CE1-O 3.2Å; H84-Y126 VanDerWaalsContact CE1-O 3.3Å; H84-Y126 AromaticContact ND1-CD1 3.98Å
85	S	66.5	Low	55.8	Low	28 Å²	28	89.3 Å²	89.3	20%	0.196	49%	0.486	C	S	.	.	S	Bend	trans	-75.1	-1	-173.9	72.8	0	0	0	0	114.8	E82 Q87 S103	E82-S85 VanDerWaalsContact O-CB 3.26Å; E82-S85 WeakPolarHBondContact O-CB 3.3Å; E82-S85 PolarHBondContact O-N 3.06Å; E82-S85 PolarHBondContact O-OG 2.88Å; S85-Q87 PolarHBondContact O-N 3.47Å; S85-Q87 VanDerWaalsContact O-N 3.1Å; S85-S103 PolarHBondContact O-OG 3.39Å
86	G	57.3	Low	54.3	Low	27 Å²	27	97.8 Å²	97.8	28%	0.278	51%	0.511	S	S	.	.	S	Bend	trans	72.7	-5.5	177.6	0	0	0	0	0	115.2	H84	H84-G86 PolarHBondContact O-N 3.21Å
87	Q	46.5	Very low	53.1	Low	161 Å²	161	102.5 Å²	102.5	75%	0.752	53%	0.53	S	S	*	.			trans	-101	78.2	175.9	-67.2	-172.5	-2	0	0	110.2	S85	S85-Q87 PolarHBondContact O-N 3.47Å; S85-Q87 VanDerWaalsContact O-N 3.1Å
88	H	43.2	Very low	51.7	Low	89 Å²	89	106.9 Å²	106.9	41%	0.412	56%	0.559	S	S	.	*			trans	-92.4	104.8	176.7	-106.7	-68.4	0	0	0	111.2	G83 A90 E139	G83-H88 WeakPolarHBondContact CA-NE2 3.44Å; G83-H88 PolarHBondContact O-NE2 3.38Å; H88-A90 PolarHBondContact O-N 2.83Å; H88-A90 VanDerWaalsContact O-N 3.09Å; H88-E139 IonicContact CE1-OE1 3.8Å; H88-E139 PolarHBondContact CE1-OE1 3.23Å; H88-E139 IonicContact CE1-OE2 2.66Å; H88-E139 PolarHBondContact CE1-OE2 3.38Å; H88-E139 IonicContact NE2-OE1 3.59Å; H88-E139 PolarHBondContact NE2-OE1 2.95Å; H88-E139 IonicContact NE2-OE2 3.23Å; H88-E139 PolarHBondContact NE2-OE2 3.15Å
89	N	34.3	Very low	49.6	Very low	165 Å²	165	110 Å²	110	88%	0.882	58%	0.575	S	S	*	*			trans	-74.3	78.6	160.2	-79.4	-27.2	0	0	0	108.7	V91	N89-V91 PolarHBondContact O-N 3.36Å
90	A	38.1	Very low	47.4	Very low	75 Å²	75	115.3 Å²	115.3	62%	0.62	60%	0.604	S	S	*	*			trans	-75.1	117.5	174	0	0	0	0	0	110.6	H88	H88-A90 PolarHBondContact O-N 2.83Å; H88-A90 VanDerWaalsContact O-N 3.09Å
91	V	33.6	Very low	45.8	Very low	156 Å²	156	114.3 Å²	114.3	95%	0.945	61%	0.608	S	S	*	*			trans	-78	111.6	160.7	177	0	0	0	0	107.2	N89	N89-V91 PolarHBondContact O-N 3.36Å
92	G	33.7	Very low	44.6	Very low	61 Å²	61	119.4 Å²	119.4	63%	0.629	64%	0.639	S	S	*	*	S	Bend	trans	140.1	136.5	174.1	0	0	0	0	0	115.1	L94	G92-L94 PolarHBondContact O-N 3.22Å
93	E	29.2	Very low	44.1	Very low	202 Å²	202	114.5 Å²	114.5	94%	0.944	62%	0.62	S	S	*	*	S	Bend	trans	-79.9	42.3	-154.2	-148.1	174.3	-159.7	0	0	117.2
94	L	31.8	Very low	44.3	Very low	162 Å²	162	114.6 Å²	114.6	85%	0.848	62%	0.621	S	S	*	*			trans	-146.1	83.4	177	-91.9	145	0	0	0	111.5	G92	G92-L94 PolarHBondContact O-N 3.22Å
95	R	37.7	Very low	44.8	Very low	224 Å²	224	115.8 Å²	115.8	85%	0.845	63%	0.63	S	S	*	*			trans	-174.9	99.9	154.6	-104.1	157.7	-170.3	-158.9	6	112.6
96	R	28.1	Very low	46	Very low	241 Å²	241	114.5 Å²	114.5	91%	0.909	62%	0.62	S	S	*	*			trans	-111.8	134	150.3	-119	176.9	175.8	170.8	-0.8	106.2
97	I	33.6	Very low	47.7	Very low	152 Å²	152	116.3 Å²	116.3	78%	0.779	62%	0.623	S	S	*	*			trans	92.7	89	176.4	-46	153	0	0	0	113.7
98	T	31.5	Very low	49.9	Very low	140 Å²	140	110.2 Å²	110.2	86%	0.859	60%	0.597	S	S	*	*				-161.7	122.2	113.5	-52.7	0	0	0	0	108.7
99	L	27.5	Very low	52.3	Low	149 Å²	149	106.3 Å²	106.3	78%	0.78	58%	0.58	S	S	*	*			trans	-70.9	148.2	-178.6	-73.5	121.4	0	0	0	112.6
100	N	32	Very low	55.2	Low	150 Å²	150	99.4 Å²	99.4	80%	0.802	54%	0.544	S	S	*	.			trans	60.7	78.1	160.5	-54.5	-12.7	0	0	0	117.9	V102	N100-V102 PolarHBondContact O-N 2.95Å
101	A	44.6	Very low	57.9	Low	68 Å²	68	96.8 Å²	96.8	56%	0.562	52%	0.518	S	S	*	.			trans	-83.6	112.8	176.3	0	0	0	0	0	112.8
102	V	54.3	Low	60.8	Low	118 Å²	118	89.5 Å²	89.5	72%	0.715	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-82.3	126.5	167.4	178.2	0	0	0	0	109	N100 R124	N100-V102 PolarHBondContact O-N 2.95Å; V102-R124 PolarHBondContact O-NH1 3.02Å
103	S	68.6	Low	63.5	Low	35 Å²	35	89.1 Å²	89.1	25%	0.245	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-66.8	130.9	178.9	-47.7	0	0	0	0	111.5	S85	S85-S103 PolarHBondContact O-OG 3.39Å
104	G	78.7	Confident	66.5	Low	4 Å²	4	86.2 Å²	86.2	4%	0.041	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-96.3	140	179.2	0	0	0	0	0	112	G51 S123	G51-G104 WeakPolarHBondContact CA-O 3.34Å; G51-G104 PolarHBondContact N-O 3.49Å; G51-G104 VanDerWaalsContact N-O 3.1Å; G104-S123 WeakPolarHBondContact CA-OG 3.32Å
105	S	89.8	Confident	69.4	Low	25 Å²	25	83.2 Å²	83.2	18%	0.175	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-62.1	135.3	172.1	-52.5	0	0	0	0	111.1	G48 D49 D122 S123	G48-S105 WeakPolarHBondContact O-CA 2.71Å; D49-S105 WeakPolarHBondContact OD1-CB 3.47Å; D49-S105 PolarHBondContact OD1-OG 2.88Å; S105-D122 CarbonylContact O-C 3.59Å; S105-D122 WeakPolarHBondContact O-CA 3.25Å; S105-D122 WeakPolarHBondContact O-CB 3.35Å; S105-S123 PolarHBondContact N-OG 2.98Å; S105-S123 VanDerWaalsContact N-OG 3.08Å; S105-S123 PolarHBondContact O-N 2.99Å; S105-S123 PolarHBondContact O-OG 3.42Å
106	V	91.8	Very high	71.9	Confident	0 Å²	0	77.3 Å²	77.3	0%	0	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	116.1	178.9	-178.3	0	0	0	0	109	M33 G48 L53 H84	M33-V106 WeakPolarHBondContact CB-O 3.31Å; G48-V106 PolarHBondContact O-N 3.13Å; L53-V106 HydrophobicContact CB-CG2 4.4Å; H84-V106 HydrophobicContact CB-CG2 3.9Å
107	L	92.2	Very high	75	Confident	66 Å²	66	66.4 Å²	66.4	35%	0.346	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	-27.2	-167.7	-61.7	-177.3	0	0	0	114.1	M33 C34 V121	M33-L107 HydrophobicContact CB-CD2 4.31Å; M33-L107 HydrophobicContact CE-CD2 4.07Å; C34-L107 VanDerWaalsContact CB-O 3.23Å; C34-L107 WeakPolarHBondContact CB-O 3.48Å; L107-V121 PolarHBondContact N-O 3.36Å
108	V	92.9	Very high	77.9	Confident	32 Å²	32	59.2 Å²	59.2	19%	0.194	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	137.2	179.4	-167.5	0	0	0	0	109.7	V110 T120 V121 M153	V108-V110 HydrophobicContact CG1-CG2 3.83Å; V108-T120 WeakPolarHBondContact O-CA 3.4Å; V108-V121 HydrophobicContact CB-CG1 3.61Å; V108-V121 HydrophobicContact CG2-CG1 3.95Å; V108-V121 PolarHBondContact N-O 3.48Å; V108-V121 PolarHBondContact O-N 3.48Å; V108-M153 HydrophobicContact CB-CE 4.18Å; V108-M153 HydrophobicContact CG1-CE 4.04Å; V108-M153 HydrophobicContact CG1-CG 4.14Å
109	A	94.7	Very high	81	Confident	8 Å²	8	52.6 Å²	52.6	7%	0.066	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	127.6	172.5	0	0	0	0	0	108.8	S36 A45 L118 T119 T120	S36-A109 WeakPolarHBondContact CB-O 3.05Å; S36-A109 PolarHBondContact OG-O 3.46Å; A45-A109 HydrophobicContact CB-CB 4.29Å; A109-L118 HydrophobicContact CB-CD1 4.28Å; A109-T119 WeakPolarHBondContact CA-O 3.31Å; A109-T120 HydrophobicContact CB-CG2 4.17Å
110	V	95.4	Very high	84.2	Confident	19 Å²	19	45.5 Å²	45.5	12%	0.115	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	129.2	-178.2	-169.7	0	0	0	0	110.2	V108 T119 M153 K154	V108-V110 HydrophobicContact CG1-CG2 3.83Å; V110-T119 PolarHBondContact N-O 3.2Å; V110-T119 PolarHBondContact O-N 3.38Å; V110-M153 HydrophobicContact CB-CE 4.19Å; V110-M153 HydrophobicContact CG2-CE 3.76Å; V110-M153 HydrophobicContact CG2-CG 3.83Å; V110-M153 WeakPolarHBondContact CG2-O 3.25Å; V110-K154 HydrophobicContact CG1-CD 4.42Å
111	W	94.9	Very high	87.2	Confident	21 Å²	21	38.3 Å²	38.3	8%	0.08	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	134.1	176.9	-67.8	104.9	0	0	0	111.6	S36 N38 Y43 A45 V55 T113 L118 W137	S36-W111 PolarHBondContact O-NE1 3.39Å; N38-W111 HydrophobicContact CB-CD2 3.64Å; N38-W111 HydrophobicContact CB-CE3 4.04Å; N38-W111 HydrophobicContact CB-CG 3.88Å; N38-W111 HydrophobicContact CB-CZ2 4.17Å; N38-W111 HydrophobicContact CB-CZ3 4.46Å; Y43-W111 HydrophobicContact CG-CH2 4.45Å; A45-W111 HydrophobicContact CB-CZ2 3.6Å; V55-W111 HydrophobicContact CG1-CH2 4.13Å; V55-W111 HydrophobicContact CG1-CZ2 4.46Å; W111-T113 HydrophobicContact CB-CG2 4.18Å; W111-L118 HydrophobicContact CD2-CB 4.5Å; W111-L118 HydrophobicContact CD2-CD1 3.9Å; W111-L118 HydrophobicContact CE3-CB 3.85Å; W111-L118 HydrophobicContact CE3-CD1 4.11Å; W111-L118 HydrophobicContact CG-CD1 4.44Å; W111-L118 HydrophobicContact CH2-CB 4.11Å; W111-L118 HydrophobicContact CH2-CD1 4.31Å; W111-L118 HydrophobicContact CH2-CD2 4.07Å; W111-L118 HydrophobicContact CH2-CG 4.39Å; W111-L118 HydrophobicContact CZ2-CD1 4.12Å; W111-L118 HydrophobicContact CZ2-CD2 4.32Å; W111-L118 HydrophobicContact CZ3-CB 3.63Å; W111-L118 HydrophobicContact CZ3-CD1 4.31Å; W111-L118 HydrophobicContact CZ3-CD2 4.46Å; W111-L118 HydrophobicContact CZ3-CG 4.34Å; W111-W137 AromaticContact CH2-CH2 3.76Å; W111-W137 HydrophobicContact CH2-CH2 3.76Å; W111-W137 HydrophobicContact CH2-CZ2 4.19Å; W111-W137 HydrophobicContact CH2-CZ3 4.49Å; W111-W137 AromaticContact CZ3-CH2 3.57Å; W111-W137 HydrophobicContact CZ3-CH2 3.57Å; W111-W137 HydrophobicContact CZ3-CZ2 4.4Å; W111-W137 HydrophobicContact CZ3-CZ3 4.15Å
112	N	94.7	Very high	89.4	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.011	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	92.6	156.8	-174.2	-25.5	0	0	0	107.6	K114 F115 Q116 K117 W155 G159	N112-K114 PolarHBondContact O-N 2.72Å; N112-K114 PolarHBondContact OD1-N 3.47Å; N112-F115 PolarHBondContact OD1-N 3.06Å; N112-F115 VanDerWaalsContact OD1-N 3.08Å; N112-Q116 WeakPolarHBondContact O-CA 3.37Å; N112-Q116 PolarHBondContact O-N 2.91Å; N112-K117 HydrophobicContact CB-CB 4.1Å; N112-K117 PolarHBondContact N-O 2.71Å; N112-K117 PolarHBondContact O-N 3.14Å; N112-K117 VanDerWaalsContact O-N 3.1Å; N112-W155 HydrophobicContact CB-CD2 3.74Å; N112-W155 HydrophobicContact CB-CE3 4.29Å; N112-W155 HydrophobicContact CB-CG 3.86Å; N112-W155 HydrophobicContact CB-CZ2 4.29Å; N112-W155 VanDerWaalsContact ND2-CZ3 3.28Å; N112-W155 WeakPolarHBondContact ND2-CZ3 3.38Å; N112-G159 PolarHBondContact ND2-O 3.47Å
113	T	90.4	Very high	91.2	Very high	54 Å²	54	31.8 Å²	31.8	33%	0.331	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-24.9	-175.6	56.8	0	0	0	0	112.7	N38 W111	N38-T113 WeakPolarHBondContact OD1-CG2 3.47Å; W111-T113 HydrophobicContact CB-CG2 4.18Å
114	K	91.6	Very high	92	Very high	141 Å²	141	34.6 Å²	34.6	61%	0.613	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-43.5	-179.8	-66.3	-74.7	-176.4	172.9	0	112.2	N112	N112-K114 PolarHBondContact O-N 2.72Å; N112-K114 PolarHBondContact OD1-N 3.47Å
115	F	91.7	Very high	92.4	Very high	99 Å²	99	34.5 Å²	34.5	43%	0.434	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	9.6	-178.3	-66.3	-90.1	0	0	0	113.5	N112 K117 G159 V176	N112-F115 PolarHBondContact OD1-N 3.06Å; N112-F115 VanDerWaalsContact OD1-N 3.08Å; F115-K117 HydrophobicContact CB-CD 4.48Å; F115-K117 HydrophobicContact CB-CG 4.05Å; F115-K117 WeakPolarHBondContact O-CG 3.37Å; F115-K117 PolarHBondContact O-N 3.42Å; F115-G159 WeakPolarHBondContact CD2-O 3.49Å; F115-G159 WeakPolarHBondContact CE2-O 3.45Å; F115-V176 HydrophobicContact CB-CG2 4.03Å; F115-V176 HydrophobicContact CD1-CG2 4.15Å; F115-V176 HydrophobicContact CD2-CG2 3.91Å; F115-V176 HydrophobicContact CE1-CG1 4.32Å; F115-V176 HydrophobicContact CE2-CG1 4.46Å; F115-V176 HydrophobicContact CE2-CG2 4.4Å; F115-V176 HydrophobicContact CG-CG2 3.76Å; F115-V176 HydrophobicContact CZ-CG1 4.23Å
116	Q	91	Very high	92.4	Very high	99 Å²	99	34.7 Å²	34.7	46%	0.463	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	35.7	-178.4	-61.1	-174.4	-1.1	0	0	114.2	N112 P132	N112-Q116 WeakPolarHBondContact O-CA 3.37Å; N112-Q116 PolarHBondContact O-N 2.91Å; Q116-P132 HydrophobicContact CB-CG 4.43Å; Q116-P132 WeakPolarHBondContact O-CD 3.48Å
117	K	93.6	Very high	92.5	Very high	13 Å²	13	35 Å²	35	6%	0.057	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	146.8	178.1	-47.8	-166.2	174.9	-166.6	0	110.9	N112 F115 V129 W130 V131 E140 V176	N112-K117 HydrophobicContact CB-CB 4.1Å; N112-K117 PolarHBondContact N-O 2.71Å; N112-K117 PolarHBondContact O-N 3.14Å; N112-K117 VanDerWaalsContact O-N 3.1Å; F115-K117 HydrophobicContact CB-CD 4.48Å; F115-K117 HydrophobicContact CB-CG 4.05Å; F115-K117 WeakPolarHBondContact O-CG 3.37Å; F115-K117 PolarHBondContact O-N 3.42Å; K117-V129 HydrophobicContact CB-CG1 4.03Å; K117-V129 HydrophobicContact CD-CG1 3.88Å; K117-V129 HydrophobicContact CG-CG1 4.5Å; K117-W130 WeakPolarHBondContact CA-O 3.48Å; K117-V131 HydrophobicContact CD-CG2 4.29Å; K117-V131 HydrophobicContact CG-CG2 4.11Å; K117-E140 VanDerWaalsContact CD-OE2 3.32Å; K117-E140 WeakPolarHBondContact CD-OE2 3.43Å; K117-E140 WeakPolarHBondContact CE-OE2 3.39Å; K117-E140 IonicContact NZ-OE1 2.99Å; K117-E140 PolarHBondContact NZ-OE1 2.99Å; K117-E140 IonicContact NZ-OE2 2.96Å; K117-E140 PolarHBondContact NZ-OE2 3.44Å; K117-V176 HydrophobicContact CD-CG2 4.06Å; K117-V176 PolarHBondContact NZ-O 3.4Å
118	L	94.8	Very high	92.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	123.4	168.6	170.3	65.3	0	0	0	108.5	A45 V55 A109 W111 T120 V129 W130 W137	A45-L118 HydrophobicContact CB-CD1 3.83Å; A45-L118 HydrophobicContact CB-CD2 3.78Å; A45-L118 HydrophobicContact CB-CG 4.49Å; V55-L118 HydrophobicContact CG2-CD2 3.78Å; A109-L118 HydrophobicContact CB-CD1 4.28Å; W111-L118 HydrophobicContact CD2-CB 4.5Å; W111-L118 HydrophobicContact CD2-CD1 3.9Å; W111-L118 HydrophobicContact CE3-CB 3.85Å; W111-L118 HydrophobicContact CE3-CD1 4.11Å; W111-L118 HydrophobicContact CG-CD1 4.44Å; W111-L118 HydrophobicContact CH2-CB 4.11Å; W111-L118 HydrophobicContact CH2-CD1 4.31Å; W111-L118 HydrophobicContact CH2-CD2 4.07Å; W111-L118 HydrophobicContact CH2-CG 4.39Å; W111-L118 HydrophobicContact CZ2-CD1 4.12Å; W111-L118 HydrophobicContact CZ2-CD2 4.32Å; W111-L118 HydrophobicContact CZ3-CB 3.63Å; W111-L118 HydrophobicContact CZ3-CD1 4.31Å; W111-L118 HydrophobicContact CZ3-CD2 4.46Å; W111-L118 HydrophobicContact CZ3-CG 4.34Å; L118-T120 HydrophobicContact CD1-CG2 4.22Å; L118-T120 HydrophobicContact CD2-CG2 4.15Å; L118-T120 HydrophobicContact CG-CG2 3.91Å; L118-V129 CarbonylContact O-C 3.54Å; L118-V129 WeakPolarHBondContact O-CA 3.2Å; L118-W130 HydrophobicContact CB-CB 4.18Å; L118-W130 PolarHBondContact N-O 3.41Å; L118-W130 PolarHBondContact O-N 3.37Å; L118-W137 HydrophobicContact CB-CZ3 4.13Å
119	T	96	Very high	92.5	Very high	1 Å²	1	31 Å²	31	1%	0.006	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	130.5	173.7	-50	0	0	0	0	109.3	A109 V110 I127 I128 V129 M153 W155 I162	A109-T119 WeakPolarHBondContact CA-O 3.31Å; V110-T119 PolarHBondContact N-O 3.2Å; V110-T119 PolarHBondContact O-N 3.38Å; T119-I127 HydrophobicContact CG2-CG2 3.59Å; T119-I128 CarbonylContact C-O 3.55Å; T119-I128 WeakPolarHBondContact CA-O 3.27Å; T119-V129 HydrophobicContact CG2-CG2 4.15Å; T119-M153 HydrophobicContact CG2-CE 3.88Å; T119-M153 HydrophobicContact CG2-SD 3.9Å; T119-M153 WeakPolarHBondContact O-CE 3.44Å; T119-W155 WeakPolarHBondContact OG1-CZ2 3.48Å; T119-W155 PolarHBondContact OG1-NE1 2.74Å; T119-I162 HydrophobicContact CG2-CD1 3.96Å
120	T	95.4	Very high	92.5	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	150.5	178.7	60.4	0	0	0	0	111.2	L53 H84 V108 A109 L118 I127 I128 W130	L53-T120 HydrophobicContact CD1-CG2 3.78Å; L53-T120 HydrophobicContact CD2-CG2 3.6Å; L53-T120 HydrophobicContact CG-CG2 4.36Å; H84-T120 PolarHBondContact NE2-OG1 2.61Å; V108-T120 WeakPolarHBondContact O-CA 3.4Å; A109-T120 HydrophobicContact CB-CG2 4.17Å; L118-T120 HydrophobicContact CD1-CG2 4.22Å; L118-T120 HydrophobicContact CD2-CG2 4.15Å; L118-T120 HydrophobicContact CG-CG2 3.91Å; T120-I127 CarbonylContact O-C 3.59Å; T120-I127 VanDerWaalsContact O-CA 3.27Å; T120-I127 WeakPolarHBondContact O-CA 3.48Å; T120-I128 PolarHBondContact N-O 3.43Å; T120-I128 PolarHBondContact O-N 3.5Å; T120-W130 PolarHBondContact OG1-NE1 3.27Å
121	V	94.2	Very high	92.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	140.7	174.3	60.3	0	0	0	0	111.6	L107 V108 Y126 I127 V150 M153	L107-V121 PolarHBondContact N-O 3.36Å; V108-V121 HydrophobicContact CB-CG1 3.61Å; V108-V121 HydrophobicContact CG2-CG1 3.95Å; V108-V121 PolarHBondContact N-O 3.48Å; V108-V121 PolarHBondContact O-N 3.48Å; V121-Y126 VanDerWaalsContact CA-O 3.3Å; V121-Y126 WeakPolarHBondContact CA-O 3.3Å; V121-I127 HydrophobicContact CB-CG1 4.13Å; V121-I127 HydrophobicContact CG2-CG1 3.83Å; V121-V150 HydrophobicContact CG1-CB 4.33Å; V121-V150 HydrophobicContact CG1-CG1 4.38Å; V121-V150 HydrophobicContact CG2-CB 3.8Å; V121-V150 HydrophobicContact CG2-CG2 3.88Å; V121-M153 HydrophobicContact CB-SD 4.34Å; V121-M153 HydrophobicContact CG1-CE 4.08Å; V121-M153 HydrophobicContact CG1-SD 3.94Å
122	D	91.7	Very high	92	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	171.6	174.7	71.4	21.3	0	0	0	113.8	H84 S105 R124 G125 Y126	H84-D122 WeakPolarHBondContact ND1-CB 3.32Å; H84-D122 IonicContact ND1-OD2 2.74Å; H84-D122 PolarHBondContact ND1-OD2 2.84Å; S105-D122 CarbonylContact O-C 3.59Å; S105-D122 WeakPolarHBondContact O-CA 3.25Å; S105-D122 WeakPolarHBondContact O-CB 3.35Å; D122-R124 PolarHBondContact O-N 3.33Å; D122-R124 WeakPolarHBondContact OD1-CA 3.45Å; D122-R124 VanDerWaalsContact OD1-CB 3.29Å; D122-R124 WeakPolarHBondContact OD1-CB 3.42Å; D122-R124 PolarHBondContact OD1-N 3.48Å; D122-R124 IonicContact OD1-NE 2.69Å; D122-R124 IonicContact OD2-CZ 3.82Å; D122-R124 VanDerWaalsContact OD2-CZ 3.31Å; D122-R124 IonicContact OD2-NE 3.31Å; D122-R124 PolarHBondContact OD2-NE 3.14Å; D122-R124 IonicContact OD2-NH2 2.88Å; D122-R124 PolarHBondContact OD2-NH2 3.37Å; D122-G125 PolarHBondContact O-N 2.94Å; D122-G125 PolarHBondContact OD1-N 3.46Å; D122-Y126 PolarHBondContact N-O 3.01Å; D122-Y126 VanDerWaalsContact N-O 3.11Å; D122-Y126 VanDerWaalsContact OD1-CB 3.25Å; D122-Y126 WeakPolarHBondContact OD1-CB 3.46Å; D122-Y126 PolarHBondContact OD1-N 2.94Å; D122-Y126 WeakPolarHBondContact OD2-CB 3.34Å
123	S	90.5	Very high	91.5	Very high	47 Å²	47	37.8 Å²	37.8	33%	0.329	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-13	175.8	49.8	0	0	0	0	115.3	G104 S105 T149	G104-S123 WeakPolarHBondContact CA-OG 3.32Å; S105-S123 PolarHBondContact N-OG 2.98Å; S105-S123 VanDerWaalsContact N-OG 3.08Å; S105-S123 PolarHBondContact O-N 2.99Å; S105-S123 PolarHBondContact O-OG 3.42Å; S123-T149 VanDerWaalsContact O-CG2 3.27Å; S123-T149 WeakPolarHBondContact O-CG2 3.45Å
124	R	86.5	Confident	90.9	Very high	95 Å²	95	42.1 Å²	42.1	36%	0.358	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-6.8	175.4	-54.1	172	-65.7	-179.5	3.4	111.8	H84 V102 D122	H84-R124 PolarHBondContact O-NH2 2.78Å; V102-R124 PolarHBondContact O-NH1 3.02Å; D122-R124 PolarHBondContact O-N 3.33Å; D122-R124 WeakPolarHBondContact OD1-CA 3.45Å; D122-R124 VanDerWaalsContact OD1-CB 3.29Å; D122-R124 WeakPolarHBondContact OD1-CB 3.42Å; D122-R124 PolarHBondContact OD1-N 3.48Å; D122-R124 IonicContact OD1-NE 2.69Å; D122-R124 IonicContact OD2-CZ 3.82Å; D122-R124 VanDerWaalsContact OD2-CZ 3.31Å; D122-R124 IonicContact OD2-NE 3.31Å; D122-R124 PolarHBondContact OD2-NE 3.14Å; D122-R124 IonicContact OD2-NH2 2.88Å; D122-R124 PolarHBondContact OD2-NH2 3.37Å
125	G	87.6	Confident	90	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.01	20%	0.201	C	C	.	.			trans	82.1	16.9	-172.4	0	0	0	0	0	113.5	D122 I127	D122-G125 PolarHBondContact O-N 2.94Å; D122-G125 PolarHBondContact OD1-N 3.46Å; G125-I127 PolarHBondContact O-N 3.36Å
126	Y	89.3	Confident	89.5	Confident	29 Å²	29	36.3 Å²	36.3	11%	0.114	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	116.3	175.5	-162	-117.1	0	0	0	109.1	H84 V121 D122 I128 I142 N144	H84-Y126 PolarHBondContact CE1-O 3.2Å; H84-Y126 VanDerWaalsContact CE1-O 3.3Å; H84-Y126 AromaticContact ND1-CD1 3.98Å; V121-Y126 VanDerWaalsContact CA-O 3.3Å; V121-Y126 WeakPolarHBondContact CA-O 3.3Å; D122-Y126 PolarHBondContact N-O 3.01Å; D122-Y126 VanDerWaalsContact N-O 3.11Å; D122-Y126 VanDerWaalsContact OD1-CB 3.25Å; D122-Y126 WeakPolarHBondContact OD1-CB 3.46Å; D122-Y126 PolarHBondContact OD1-N 2.94Å; D122-Y126 WeakPolarHBondContact OD2-CB 3.34Å; Y126-I128 HydrophobicContact CD1-CD1 3.89Å; Y126-I128 HydrophobicContact CD1-CG1 3.86Å; Y126-I128 HydrophobicContact CE1-CD1 3.73Å; Y126-I128 HydrophobicContact CE1-CG1 3.84Å; Y126-I142 HydrophobicContact CD2-CG2 4.29Å; Y126-I142 HydrophobicContact CE1-CG2 3.97Å; Y126-I142 HydrophobicContact CE2-CG2 3.47Å; Y126-I142 VanDerWaalsContact CE2-CG2 3.47Å; Y126-I142 VanDerWaalsContact OH-CG2 3.28Å; Y126-I142 WeakPolarHBondContact OH-CG2 3.45Å; Y126-N144 HydrophobicContact CD2-CB 3.6Å; Y126-N144 HydrophobicContact CE2-CB 3.8Å
127	I	92.5	Very high	89.3	Confident	6 Å²	6	32.8 Å²	32.8	3%	0.031	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	133.6	-178.7	-51.1	172.9	0	0	0	108.9	T119 T120 V121 G125 I142 N143 V150 I164	T119-I127 HydrophobicContact CG2-CG2 3.59Å; T120-I127 CarbonylContact O-C 3.59Å; T120-I127 VanDerWaalsContact O-CA 3.27Å; T120-I127 WeakPolarHBondContact O-CA 3.48Å; V121-I127 HydrophobicContact CB-CG1 4.13Å; V121-I127 HydrophobicContact CG2-CG1 3.83Å; G125-I127 PolarHBondContact O-N 3.36Å; I127-I142 WeakPolarHBondContact O-CA 3.29Å; I127-N143 HydrophobicContact CB-CB 4.2Å; I127-N143 HydrophobicContact CD1-CB 4.42Å; I127-N143 PolarHBondContact N-O 3.49Å; I127-N143 PolarHBondContact O-N 3.11Å; I127-V150 HydrophobicContact CD1-CG2 3.83Å; I127-V150 HydrophobicContact CG1-CG2 4.1Å; I127-I164 HydrophobicContact CD1-CD1 3.93Å; I127-I164 HydrophobicContact CD1-CG2 3.94Å
128	I	93.1	Very high	88.9	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	134.2	175.1	-52.3	177	0	0	0	109	T119 T120 Y126 W130 E139 M141	T119-I128 CarbonylContact C-O 3.55Å; T119-I128 WeakPolarHBondContact CA-O 3.27Å; T120-I128 PolarHBondContact N-O 3.43Å; T120-I128 PolarHBondContact O-N 3.5Å; Y126-I128 HydrophobicContact CD1-CD1 3.89Å; Y126-I128 HydrophobicContact CD1-CG1 3.86Å; Y126-I128 HydrophobicContact CE1-CD1 3.73Å; Y126-I128 HydrophobicContact CE1-CG1 3.84Å; I128-W130 HydrophobicContact CB-CZ2 4.19Å; I128-W130 HydrophobicContact CD1-CZ2 3.82Å; I128-W130 HydrophobicContact CG2-CD2 3.94Å; I128-W130 VanDerWaalsContact CG2-CE2 3.44Å; I128-W130 HydrophobicContact CG2-CG 4.31Å; I128-W130 HydrophobicContact CG2-CH2 4.33Å; I128-W130 HydrophobicContact CG2-CZ2 3.68Å; I128-E139 HydrophobicContact CG2-CB 4.15Å; I128-E139 HydrophobicContact CG2-CG 3.86Å; I128-M141 CarbonylContact C-O 3.58Å; I128-M141 WeakPolarHBondContact CA-O 3.46Å
129	V	94	Very high	88.6	Confident	16 Å²	16	41 Å²	41	10%	0.097	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	123.2	169.5	-175.4	0	0	0	0	108.1	K117 L118 T119 E140 M141	K117-V129 HydrophobicContact CB-CG1 4.03Å; K117-V129 HydrophobicContact CD-CG1 3.88Å; K117-V129 HydrophobicContact CG-CG1 4.5Å; L118-V129 CarbonylContact O-C 3.54Å; L118-V129 WeakPolarHBondContact O-CA 3.2Å; T119-V129 HydrophobicContact CG2-CG2 4.15Å; V129-E140 PolarHBondContact O-N 3.42Å; V129-M141 HydrophobicContact CB-CB 3.94Å; V129-M141 HydrophobicContact CB-CG 4.47Å; V129-M141 HydrophobicContact CG2-CB 3.96Å; V129-M141 PolarHBondContact N-O 3.43Å; V129-M141 PolarHBondContact O-N 3.46Å
130	W	93.3	Very high	88.3	Confident	8 Å²	8	45.3 Å²	45.3	3%	0.03	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	138.3	-177.4	-54.7	88	0	0	0	110.6	L53 L81 K117 L118 T120 I128 W137 Y138 E139	L53-W130 HydrophobicContact CD2-CZ2 3.85Å; L81-W130 HydrophobicContact CB-CE3 4.4Å; L81-W130 HydrophobicContact CB-CH2 3.78Å; L81-W130 HydrophobicContact CB-CZ2 3.99Å; L81-W130 HydrophobicContact CB-CZ3 3.98Å; L81-W130 HydrophobicContact CD1-CD2 3.79Å; L81-W130 HydrophobicContact CD1-CE3 3.9Å; L81-W130 HydrophobicContact CD1-CG 4.16Å; L81-W130 HydrophobicContact CD1-CZ3 4.33Å; L81-W130 HydrophobicContact CD2-CE3 4.25Å; L81-W130 HydrophobicContact CD2-CZ3 4.19Å; L81-W130 HydrophobicContact CG-CE3 4.41Å; L81-W130 HydrophobicContact CG-CZ3 4.39Å; K117-W130 WeakPolarHBondContact CA-O 3.48Å; L118-W130 HydrophobicContact CB-CB 4.18Å; L118-W130 PolarHBondContact N-O 3.41Å; L118-W130 PolarHBondContact O-N 3.37Å; T120-W130 PolarHBondContact OG1-NE1 3.27Å; I128-W130 HydrophobicContact CB-CZ2 4.19Å; I128-W130 HydrophobicContact CD1-CZ2 3.82Å; I128-W130 HydrophobicContact CG2-CD2 3.94Å; I128-W130 VanDerWaalsContact CG2-CE2 3.44Å; I128-W130 HydrophobicContact CG2-CG 4.31Å; I128-W130 HydrophobicContact CG2-CH2 4.33Å; I128-W130 HydrophobicContact CG2-CZ2 3.68Å; W130-W137 HydrophobicContact CB-CE3 3.86Å; W130-W137 HydrophobicContact CB-CZ3 4.36Å; W130-Y138 CarbonylContact C-O 3.56Å; W130-Y138 VanDerWaalsContact CA-O 3.25Å; W130-Y138 WeakPolarHBondContact CA-O 3.37Å; W130-E139 HydrophobicContact CE3-CG 3.87Å; W130-E139 HydrophobicContact CH2-CG 3.57Å; W130-E139 WeakPolarHBondContact CH2-OE1 3.33Å; W130-E139 HydrophobicContact CZ2-CG 4.29Å; W130-E139 HydrophobicContact CZ3-CG 3.35Å
131	V	91.7	Very high	88	Confident	41 Å²	41	48.4 Å²	48.4	25%	0.248	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	133.1	176	177.7	0	0	0	0	109.4	K117 W137 Y138 E140	K117-V131 HydrophobicContact CD-CG2 4.29Å; K117-V131 HydrophobicContact CG-CG2 4.11Å; V131-W137 WeakPolarHBondContact O-CA 3.36Å; V131-Y138 PolarHBondContact N-O 3.15Å; V131-Y138 PolarHBondContact O-N 3.15Å; V131-E140 HydrophobicContact CG2-CB 3.76Å; V131-E140 HydrophobicContact CG2-CG 4.13Å; V131-E140 WeakPolarHBondContact CG2-OE2 3.41Å
132	P	88.7	Confident	87.6	Confident	35 Å²	35	52.2 Å²	52.2	23%	0.227	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	132.2	172.5	31.6	-30	0	0	0	109.7	Q116 T136 W137	Q116-P132 HydrophobicContact CB-CG 4.43Å; Q116-P132 WeakPolarHBondContact O-CD 3.48Å; P132-T136 CarbonylContact C-O 3.55Å; P132-T136 WeakPolarHBondContact CA-O 3.4Å; P132-W137 HydrophobicContact CB-CD2 4.07Å; P132-W137 HydrophobicContact CB-CE3 4.1Å; P132-W137 HydrophobicContact CB-CH2 3.89Å; P132-W137 HydrophobicContact CB-CZ2 3.91Å; P132-W137 HydrophobicContact CB-CZ3 4.03Å; P132-W137 VanDerWaalsContact CD-CZ3 3.46Å; P132-W137 HydrophobicContact CG-CE3 4.45Å; P132-W137 HydrophobicContact CG-CH2 3.81Å; P132-W137 HydrophobicContact CG-CZ2 4.29Å; P132-W137 HydrophobicContact CG-CZ3 3.94Å
133	H	83.1	Confident	87.4	Confident	107 Å²	107	55.5 Å²	55.5	50%	0.495	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	122.5	171.9	-177.9	84.6	0	0	0	109.2	G135 T136 Y138	H133-G135 VanDerWaalsContact C-N 3.27Å; H133-G135 PolarHBondContact O-N 3.16Å; H133-G135 VanDerWaalsContact O-N 3.16Å; H133-T136 PolarHBondContact N-O 2.89Å; H133-T136 PolarHBondContact O-N 3.45Å; H133-T136 PolarHBondContact O-OG1 2.95Å; H133-Y138 HydrophobicContact CB-CD2 3.72Å; H133-Y138 HydrophobicContact CB-CE2 3.62Å
134	N	78.7	Confident	87.1	Confident	146 Å²	146	56.3 Å²	56.3	78%	0.781	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	37.1	-180	-64.4	-20.3	0	0	0	115.6	T136	N134-T136 VanDerWaalsContact C-N 3.29Å; N134-T136 PolarHBondContact O-N 3.14Å
135	G	73.7	Confident	87	Confident	52 Å²	52	54.3 Å²	54.3	54%	0.536	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.4	-5.8	178.5	0	0	0	0	0	114.9	I79 H133	I79-G135 WeakPolarHBondContact CD1-O 3.36Å; H133-G135 VanDerWaalsContact C-N 3.27Å; H133-G135 PolarHBondContact O-N 3.16Å; H133-G135 VanDerWaalsContact O-N 3.16Å
136	T	80.4	Confident	86.6	Confident	66 Å²	66	60.5 Å²	60.5	41%	0.405	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	156.3	170.9	41.5	0	0	0	0	110.8	P132 H133 N134 Y138	P132-T136 CarbonylContact C-O 3.55Å; P132-T136 WeakPolarHBondContact CA-O 3.4Å; H133-T136 PolarHBondContact N-O 2.89Å; H133-T136 PolarHBondContact O-N 3.45Å; H133-T136 PolarHBondContact O-OG1 2.95Å; N134-T136 VanDerWaalsContact C-N 3.29Å; N134-T136 PolarHBondContact O-N 3.14Å; T136-Y138 WeakPolarHBondContact OG1-CE2 3.28Å; T136-Y138 PolarHBondContact OG1-OH 3.02Å; T136-Y138 VanDerWaalsContact OG1-OH 3.07Å
137	W	86.1	Confident	86.3	Confident	25 Å²	25	67.3 Å²	67.3	10%	0.095	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	139.7	178	-71.1	83.6	0	0	0	110.1	Y43 V55 L81 W111 L118 W130 V131 P132	Y43-W137 HydrophobicContact CD1-CZ2 4.38Å; Y43-W137 HydrophobicContact CE1-CZ2 4.37Å; V55-W137 HydrophobicContact CG1-CZ2 3.95Å; L81-W137 HydrophobicContact CD1-CB 4.4Å; L81-W137 HydrophobicContact CD1-CG 4.49Å; L81-W137 HydrophobicContact CD2-CB 3.49Å; L81-W137 VanDerWaalsContact CD2-CB 3.49Å; L81-W137 HydrophobicContact CD2-CG 4.02Å; W111-W137 AromaticContact CH2-CH2 3.76Å; W111-W137 HydrophobicContact CH2-CH2 3.76Å; W111-W137 HydrophobicContact CH2-CZ2 4.19Å; W111-W137 HydrophobicContact CH2-CZ3 4.49Å; W111-W137 AromaticContact CZ3-CH2 3.57Å; W111-W137 HydrophobicContact CZ3-CH2 3.57Å; W111-W137 HydrophobicContact CZ3-CZ2 4.4Å; W111-W137 HydrophobicContact CZ3-CZ3 4.15Å; L118-W137 HydrophobicContact CB-CZ3 4.13Å; W130-W137 HydrophobicContact CB-CE3 3.86Å; W130-W137 HydrophobicContact CB-CZ3 4.36Å; V131-W137 WeakPolarHBondContact O-CA 3.36Å; P132-W137 HydrophobicContact CB-CD2 4.07Å; P132-W137 HydrophobicContact CB-CE3 4.1Å; P132-W137 HydrophobicContact CB-CH2 3.89Å; P132-W137 HydrophobicContact CB-CZ2 3.91Å; P132-W137 HydrophobicContact CB-CZ3 4.03Å; P132-W137 VanDerWaalsContact CD-CZ3 3.46Å; P132-W137 HydrophobicContact CG-CE3 4.45Å; P132-W137 HydrophobicContact CG-CH2 3.81Å; P132-W137 HydrophobicContact CG-CZ2 4.29Å; P132-W137 HydrophobicContact CG-CZ3 3.94Å
138	Y	86.5	Confident	86.2	Confident	124 Å²	124	67.9 Å²	67.9	49%	0.486	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	148.4	-178.1	-61.4	-90.1	0	0	0	111.1	W130 V131 H133 T136 E140	W130-Y138 CarbonylContact C-O 3.56Å; W130-Y138 VanDerWaalsContact CA-O 3.25Å; W130-Y138 WeakPolarHBondContact CA-O 3.37Å; V131-Y138 PolarHBondContact N-O 3.15Å; V131-Y138 PolarHBondContact O-N 3.15Å; H133-Y138 HydrophobicContact CB-CD2 3.72Å; H133-Y138 HydrophobicContact CB-CE2 3.62Å; T136-Y138 WeakPolarHBondContact OG1-CE2 3.28Å; T136-Y138 PolarHBondContact OG1-OH 3.02Å; T136-Y138 VanDerWaalsContact OG1-OH 3.07Å; Y138-E140 PolarHBondContact O-N 3.3Å
139	E	88.7	Confident	86.1	Confident	60 Å²	60	70.1 Å²	70.1	28%	0.28	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	108.9	170.5	-58.2	-179.4	175.5	0	0	108.7	G83 H88 I128 W130 I142	G83-E139 WeakPolarHBondContact CA-OE1 3.29Å; H88-E139 IonicContact CE1-OE1 3.8Å; H88-E139 PolarHBondContact CE1-OE1 3.23Å; H88-E139 IonicContact CE1-OE2 2.66Å; H88-E139 PolarHBondContact CE1-OE2 3.38Å; H88-E139 IonicContact NE2-OE1 3.59Å; H88-E139 PolarHBondContact NE2-OE1 2.95Å; H88-E139 IonicContact NE2-OE2 3.23Å; H88-E139 PolarHBondContact NE2-OE2 3.15Å; I128-E139 HydrophobicContact CG2-CB 4.15Å; I128-E139 HydrophobicContact CG2-CG 3.86Å; W130-E139 HydrophobicContact CE3-CG 3.87Å; W130-E139 HydrophobicContact CH2-CG 3.57Å; W130-E139 WeakPolarHBondContact CH2-OE1 3.33Å; W130-E139 HydrophobicContact CZ2-CG 4.29Å; W130-E139 HydrophobicContact CZ3-CG 3.35Å; E139-I142 WeakPolarHBondContact OE2-CD1 3.48Å
140	E	88.8	Confident	86	Confident	93 Å²	93	69.6 Å²	69.6	44%	0.435	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-44.2	177.8	-175	-167.9	-158.4	0	0	110.9	K117 V129 V131 Y138	K117-E140 VanDerWaalsContact CD-OE2 3.32Å; K117-E140 WeakPolarHBondContact CD-OE2 3.43Å; K117-E140 WeakPolarHBondContact CE-OE2 3.39Å; K117-E140 IonicContact NZ-OE1 2.99Å; K117-E140 PolarHBondContact NZ-OE1 2.99Å; K117-E140 IonicContact NZ-OE2 2.96Å; K117-E140 PolarHBondContact NZ-OE2 3.44Å; V129-E140 PolarHBondContact O-N 3.42Å; V131-E140 HydrophobicContact CG2-CB 3.76Å; V131-E140 HydrophobicContact CG2-CG 4.13Å; V131-E140 WeakPolarHBondContact CG2-OE2 3.41Å; Y138-E140 PolarHBondContact O-N 3.3Å
141	M	89	Confident	86	Confident	65 Å²	65	72 Å²	72	32%	0.32	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	146.3	-177	-55.9	-170.3	74.2	0	0	111.4	I128 V129	I128-M141 CarbonylContact C-O 3.58Å; I128-M141 WeakPolarHBondContact CA-O 3.46Å; V129-M141 HydrophobicContact CB-CB 3.94Å; V129-M141 HydrophobicContact CB-CG 4.47Å; V129-M141 HydrophobicContact CG2-CB 3.96Å; V129-M141 PolarHBondContact N-O 3.43Å; V129-M141 PolarHBondContact O-N 3.46Å
142	I	86.6	Confident	86	Confident	80 Å²	80	70.9 Å²	70.9	41%	0.41	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	129.7	176.5	-58.9	176.2	0	0	0	108.4	Y126 I127 E139	Y126-I142 HydrophobicContact CD2-CG2 4.29Å; Y126-I142 HydrophobicContact CE1-CG2 3.97Å; Y126-I142 HydrophobicContact CE2-CG2 3.47Å; Y126-I142 VanDerWaalsContact CE2-CG2 3.47Å; Y126-I142 VanDerWaalsContact OH-CG2 3.28Å; Y126-I142 WeakPolarHBondContact OH-CG2 3.45Å; I127-I142 WeakPolarHBondContact O-CA 3.29Å; E139-I142 WeakPolarHBondContact OE2-CD1 3.48Å
143	N	87	Confident	86.4	Confident	69 Å²	69	69.3 Å²	69.3	37%	0.369	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	123.7	170.9	-171.8	-37.9	0	0	0	109.8	I127	I127-N143 HydrophobicContact CB-CB 4.2Å; I127-N143 HydrophobicContact CD1-CB 4.42Å; I127-N143 PolarHBondContact N-O 3.49Å; I127-N143 PolarHBondContact O-N 3.11Å
144	N	84.1	Confident	87	Confident	64 Å²	64	66.3 Å²	66.3	34%	0.342	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	103.1	172.2	-172.1	-2.3	0	0	0	110.8	Y126 N146	Y126-N144 HydrophobicContact CD2-CB 3.6Å; Y126-N144 HydrophobicContact CE2-CB 3.8Å; N144-N146 VanDerWaalsContact C-N 3.35Å; N144-N146 PolarHBondContact ND2-ND2 3.14Å; N144-N146 PolarHBondContact ND2-OD1 3.05Å; N144-N146 PolarHBondContact OD1-N 3.33Å; N144-N146 PolarHBondContact OD1-OD1 2.96Å
145	R	83.8	Confident	87.8	Confident	53 Å²	53	60.5 Å²	60.5	20%	0.2	31%	0.31	C	S	.	.			trans	-77.4	-20	179.2	-166.7	174.1	162.4	-109	-5.2	112.9	K147 S148 Y166 D168 M170	R145-K147 HydrophobicContact CG-CB 4.19Å; R145-K147 HydrophobicContact CG-CD 4.45Å; R145-K147 WeakPolarHBondContact O-CG 3.44Å; R145-K147 PolarHBondContact O-N 2.71Å; R145-S148 VanDerWaalsContact NH1-CB 3.34Å; R145-Y166 HydrophobicContact CB-CE1 4.08Å; R145-D168 IonicContact CZ-OD1 2.76Å; R145-D168 IonicContact CZ-OD2 3.95Å; R145-D168 VanDerWaalsContact NH1-CG 3.33Å; R145-D168 IonicContact NH1-OD1 3.96Å; R145-D168 PolarHBondContact NH1-OD1 3.04Å; R145-D168 VanDerWaalsContact NH1-OD1 3.14Å; R145-D168 IonicContact NH1-OD2 3.04Å; R145-D168 PolarHBondContact NH1-OD2 3.11Å; R145-D168 IonicContact NH2-OD2 3.85Å; R145-D168 PolarHBondContact NH2-OD2 3.24Å; R145-M170 PolarHBondContact NE-SD 2.94Å; R145-M170 PolarHBondContact NH2-SD 3.18Å
146	N	79.7	Confident	88.8	Confident	132 Å²	132	58.3 Å²	58.3	71%	0.706	29%	0.286	S	S	*	.	S	Bend	trans	46.7	30	-177.2	-70.9	-45.2	0	0	0	114.8	N144	N144-N146 VanDerWaalsContact C-N 3.35Å; N144-N146 PolarHBondContact ND2-ND2 3.14Å; N144-N146 PolarHBondContact ND2-OD1 3.05Å; N144-N146 PolarHBondContact OD1-N 3.33Å; N144-N146 PolarHBondContact OD1-OD1 2.96Å
147	K	83.6	Confident	89.3	Confident	171 Å²	171	57.9 Å²	57.9	74%	0.743	29%	0.286	S	S	*	.	S	Bend	trans	-131.2	-37.4	-176.5	-73.4	-179.2	178.1	-173.3	0	113.9	R145	R145-K147 HydrophobicContact CG-CB 4.19Å; R145-K147 HydrophobicContact CG-CD 4.45Å; R145-K147 WeakPolarHBondContact O-CG 3.44Å; R145-K147 PolarHBondContact O-N 2.71Å
148	S	89.1	Confident	89.6	Confident	18 Å²	18	60 Å²	60	13%	0.126	30%	0.299	C	S	.	.			trans	-153.6	158.3	-177.2	-169.5	0	0	0	0	109.7	R145 D168	R145-S148 VanDerWaalsContact NH1-CB 3.34Å; S148-D168 VanDerWaalsContact CB-CG 3.41Å; S148-D168 WeakPolarHBondContact CB-OD1 3.36Å; S148-D168 WeakPolarHBondContact CB-OD2 3.4Å; S148-D168 PolarHBondContact OG-N 3.19Å; S148-D168 VanDerWaalsContact OG-N 3.11Å; S148-D168 PolarHBondContact OG-OD1 3.38Å
149	T	91.4	Very high	89.9	Confident	47 Å²	47	54.1 Å²	54.1	29%	0.288	28%	0.277	S	S	.	.			trans	-81.8	158.3	174.7	56.3	0	0	0	0	110.6	S123 Y166 N167	S123-T149 VanDerWaalsContact O-CG2 3.27Å; S123-T149 WeakPolarHBondContact O-CG2 3.45Å; T149-Y166 CarbonylContact O-C 3.5Å; T149-Y166 VanDerWaalsContact O-CA 3.29Å; T149-Y166 WeakPolarHBondContact O-CA 3.38Å; T149-N167 PolarHBondContact O-N 2.79Å; T149-N167 WeakPolarHBondContact OG1-CB 3.29Å
150	V	92.8	Very high	90.2	Very high	6 Å²	6	52.9 Å²	52.9	4%	0.036	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	123.8	173.1	-179.7	0	0	0	0	108	V121 I127 M153 I164 Y166	V121-V150 HydrophobicContact CG1-CB 4.33Å; V121-V150 HydrophobicContact CG1-CG1 4.38Å; V121-V150 HydrophobicContact CG2-CB 3.8Å; V121-V150 HydrophobicContact CG2-CG2 3.88Å; I127-V150 HydrophobicContact CD1-CG2 3.83Å; I127-V150 HydrophobicContact CG1-CG2 4.1Å; V150-M153 HydrophobicContact CG1-CB 4.39Å; V150-I164 HydrophobicContact CG1-CG2 3.83Å; V150-I164 HydrophobicContact CG2-CG2 3.92Å; V150-Y166 HydrophobicContact CG2-CD1 3.86Å; V150-Y166 HydrophobicContact CG2-CE1 3.61Å
151	N	91.7	Very high	90.6	Very high	57 Å²	57	50.7 Å²	50.7	31%	0.305	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	-34.7	177	-75.4	-8.7	0	0	0	111.6	A165 N167 I190	N151-A165 PolarHBondContact N-O 2.9Å; N151-N167 WeakPolarHBondContact ND2-CA 3.45Å; N151-N167 WeakPolarHBondContact ND2-CB 3.35Å; N151-N167 PolarHBondContact ND2-OD1 2.93Å; N151-I190 VanDerWaalsContact CB-O 3.23Å; N151-I190 WeakPolarHBondContact CB-O 3.29Å; N151-I190 PolarHBondContact ND2-O 3.5Å
152	S	93.6	Very high	90.9	Very high	19 Å²	19	48.2 Å²	48.2	13%	0.133	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	144.5	-179.4	-166.7	0	0	0	0	111.2	A165 V191 V193	S152-A165 PolarHBondContact N-O 3.36Å; S152-A165 PolarHBondContact O-N 3.07Å; S152-V191 WeakPolarHBondContact CB-O 3.07Å; S152-V193 PolarHBondContact OG-N 3.18Å; S152-V193 VanDerWaalsContact OG-N 3.12Å
153	M	95.3	Very high	91.4	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	143.7	173.5	65.6	-174	-168.8	0	0	109.3	V108 V110 T119 V121 V150 C163	V108-M153 HydrophobicContact CB-CE 4.18Å; V108-M153 HydrophobicContact CG1-CE 4.04Å; V108-M153 HydrophobicContact CG1-CG 4.14Å; V110-M153 HydrophobicContact CB-CE 4.19Å; V110-M153 HydrophobicContact CG2-CE 3.76Å; V110-M153 HydrophobicContact CG2-CG 3.83Å; V110-M153 WeakPolarHBondContact CG2-O 3.25Å; T119-M153 HydrophobicContact CG2-CE 3.88Å; T119-M153 HydrophobicContact CG2-SD 3.9Å; T119-M153 WeakPolarHBondContact O-CE 3.44Å; V121-M153 HydrophobicContact CB-SD 4.34Å; V121-M153 HydrophobicContact CG1-CE 4.08Å; V121-M153 HydrophobicContact CG1-SD 3.94Å; V150-M153 HydrophobicContact CG1-CB 4.39Å; M153-C163 CarbonylContact C-O 3.59Å; M153-C163 WeakPolarHBondContact CA-O 3.38Å
154	K	95.7	Very high	91.8	Very high	45 Å²	45	41.8 Å²	41.8	20%	0.196	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	136.9	175.7	-72	-61.8	-166.9	89.1	0	110.8	V110 C163 V193 E194 W195 D242	V110-K154 HydrophobicContact CG1-CD 4.42Å; K154-C163 PolarHBondContact N-O 3.36Å; K154-C163 PolarHBondContact O-N 3.41Å; K154-V193 HydrophobicContact CB-CG1 4.38Å; K154-V193 VanDerWaalsContact CG-O 3.27Å; K154-V193 WeakPolarHBondContact CG-O 3.38Å; K154-E194 IonicContact NZ-OE1 3.98Å; K154-E194 IonicContact NZ-OE2 2.73Å; K154-E194 PolarHBondContact NZ-OE2 3.38Å; K154-W195 PolarHBondContact O-NE1 3.08Å; K154-D242 IonicContact NZ-OD1 3.85Å
155	W	95.8	Very high	92.3	Very high	24 Å²	24	38.8 Å²	38.8	9%	0.091	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	147.9	164.2	-71.6	98.1	0	0	0	109.9	N112 T119 K161 I162 V176 W195	N112-W155 HydrophobicContact CB-CD2 3.74Å; N112-W155 HydrophobicContact CB-CE3 4.29Å; N112-W155 HydrophobicContact CB-CG 3.86Å; N112-W155 HydrophobicContact CB-CZ2 4.29Å; N112-W155 VanDerWaalsContact ND2-CZ3 3.28Å; N112-W155 WeakPolarHBondContact ND2-CZ3 3.38Å; T119-W155 WeakPolarHBondContact OG1-CZ2 3.48Å; T119-W155 PolarHBondContact OG1-NE1 2.74Å; W155-K161 CarbonylContact C-O 3.56Å; W155-K161 WeakPolarHBondContact CA-O 3.48Å; W155-I162 HydrophobicContact CD2-CB 3.86Å; W155-I162 HydrophobicContact CD2-CD1 4.25Å; W155-I162 HydrophobicContact CD2-CG1 4.25Å; W155-I162 HydrophobicContact CE3-CB 3.76Å; W155-I162 HydrophobicContact CH2-CB 4.09Å; W155-I162 HydrophobicContact CH2-CG2 4.15Å; W155-I162 HydrophobicContact CZ2-CB 4.2Å; W155-I162 HydrophobicContact CZ2-CD1 3.99Å; W155-I162 HydrophobicContact CZ2-CG2 4.49Å; W155-I162 HydrophobicContact CZ3-CB 3.86Å; W155-I162 HydrophobicContact CZ3-CG2 4.2Å; W155-V176 HydrophobicContact CH2-CB 4.29Å; W155-V176 HydrophobicContact CH2-CG2 4.05Å; W155-V176 HydrophobicContact CZ3-CB 3.89Å; W155-V176 HydrophobicContact CZ3-CG2 3.94Å; W155-W195 VanDerWaalsContact O-CD1 3.29Å
156	S	95	Very high	92.8	Very high	6 Å²	6	36.2 Å²	36.2	4%	0.042	19%	0.192	C	C	.	.			trans	-63.1	156.5	166.5	55.1	0	0	0	0	110.7	D158 G159 S160 K161 D199	S156-D158 VanDerWaalsContact CB-OD1 3.31Å; S156-D158 WeakPolarHBondContact CB-OD1 3.46Å; S156-D158 PolarHBondContact O-N 3.3Å; S156-D158 PolarHBondContact OG-OD1 2.89Å; S156-G159 WeakPolarHBondContact O-CA 3.5Å; S156-G159 PolarHBondContact O-N 2.67Å; S156-S160 PolarHBondContact OG-N 3.23Å; S156-K161 PolarHBondContact N-O 3.22Å; S156-K161 PolarHBondContact OG-N 2.86Å; S156-K161 PolarHBondContact OG-O 2.67Å; S156-K161 VanDerWaalsContact OG-O 3.11Å; S156-D199 WeakPolarHBondContact CA-OD1 3.26Å; S156-D199 VanDerWaalsContact CB-OD1 3.23Å; S156-D199 WeakPolarHBondContact CB-OD1 3.46Å
157	S	91.1	Very high	93.4	Very high	57 Å²	57	32.5 Å²	32.5	40%	0.399	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-34.2	178.4	-67.4	0	0	0	0	113	G159 P197 D199	S157-G159 VanDerWaalsContact C-N 3.3Å; S157-P197 VanDerWaalsContact CB-O 3.25Å; S157-P197 WeakPolarHBondContact CB-O 3.45Å; S157-P197 PolarHBondContact OG-O 3.41Å; S157-D199 WeakPolarHBondContact CB-OD1 3.33Å; S157-D199 PolarHBondContact N-OD1 3.34Å; S157-D199 PolarHBondContact N-OD2 2.99Å
158	D	91.8	Very high	93.8	Very high	68 Å²	68	27.3 Å²	27.3	36%	0.364	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-11.7	172.4	73.6	-4.4	0	0	0	114	S156 S160 D199	S156-D158 VanDerWaalsContact CB-OD1 3.31Å; S156-D158 WeakPolarHBondContact CB-OD1 3.46Å; S156-D158 PolarHBondContact O-N 3.3Å; S156-D158 PolarHBondContact OG-OD1 2.89Å; D158-S160 PolarHBondContact O-N 2.94Å; D158-S160 WeakPolarHBondContact OD1-CB 3.28Å; D158-S160 PolarHBondContact OD1-N 3.45Å; D158-S160 PolarHBondContact OD1-OG 3.37Å; D158-S160 WeakPolarHBondContact OD2-CB 3.44Å; D158-S160 PolarHBondContact OD2-OG 3.01Å; D158-D199 WeakPolarHBondContact CB-OD2 3.5Å; D158-D199 VanDerWaalsContact CG-OD2 3.28Å; D158-D199 PolarHBondContact N-OD2 3Å
159	G	93.8	Very high	94	Very high	2 Å²	2	26.5 Å²	26.5	2%	0.021	15%	0.147	C	C	.	.	S	Bend	trans	72.8	4	-177.7	0	0	0	0	0	115.3	N112 F115 S156 S157	N112-G159 PolarHBondContact ND2-O 3.47Å; F115-G159 WeakPolarHBondContact CD2-O 3.49Å; F115-G159 WeakPolarHBondContact CE2-O 3.45Å; S156-G159 WeakPolarHBondContact O-CA 3.5Å; S156-G159 PolarHBondContact O-N 2.67Å; S157-G159 VanDerWaalsContact C-N 3.3Å
160	S	95.7	Very high	94.1	Very high	33 Å²	33	26.3 Å²	26.3	23%	0.231	14%	0.143	C	C	.	.	S	Bend	trans	-79	-22.9	-175.4	71.8	0	0	0	0	113.6	S156 D158 S175 V176	S156-S160 PolarHBondContact OG-N 3.23Å; D158-S160 PolarHBondContact O-N 2.94Å; D158-S160 WeakPolarHBondContact OD1-CB 3.28Å; D158-S160 PolarHBondContact OD1-N 3.45Å; D158-S160 PolarHBondContact OD1-OG 3.37Å; D158-S160 WeakPolarHBondContact OD2-CB 3.44Å; D158-S160 PolarHBondContact OD2-OG 3.01Å; S160-S175 CarbonylContact O-C 3.53Å; S160-S175 WeakPolarHBondContact O-CA 3.45Å; S160-V176 PolarHBondContact O-N 3.21Å
161	K	95.9	Very high	94.2	Very high	48 Å²	48	26 Å²	26	21%	0.209	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	150.7	-176.5	-53.6	-176.4	-170.5	101.1	0	111.4	W155 S156 V173 G174 L181 W195	W155-K161 CarbonylContact C-O 3.56Å; W155-K161 WeakPolarHBondContact CA-O 3.48Å; S156-K161 PolarHBondContact N-O 3.22Å; S156-K161 PolarHBondContact OG-N 2.86Å; S156-K161 PolarHBondContact OG-O 2.67Å; S156-K161 VanDerWaalsContact OG-O 3.11Å; K161-V173 HydrophobicContact CB-CG1 4.13Å; K161-V173 HydrophobicContact CD-CG1 4.3Å; K161-G174 CarbonylContact C-O 3.47Å; K161-G174 VanDerWaalsContact CA-O 3.22Å; K161-G174 WeakPolarHBondContact CA-O 3.42Å; K161-L181 HydrophobicContact CB-CD1 4.4Å; K161-L181 HydrophobicContact CD-CD1 3.59Å; K161-L181 HydrophobicContact CG-CD1 3.65Å; K161-W195 HydrophobicContact CB-CH2 4.05Å; K161-W195 HydrophobicContact CB-CZ2 4.11Å; K161-W195 HydrophobicContact CD-CH2 4.14Å
162	I	96.4	Very high	94.4	Very high	13 Å²	13	24.4 Å²	24.4	7%	0.067	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	131	168.3	-175	169.8	0	0	0	109.2	T119 W155 I164 V173 G174	T119-I162 HydrophobicContact CG2-CD1 3.96Å; W155-I162 HydrophobicContact CD2-CB 3.86Å; W155-I162 HydrophobicContact CD2-CD1 4.25Å; W155-I162 HydrophobicContact CD2-CG1 4.25Å; W155-I162 HydrophobicContact CE3-CB 3.76Å; W155-I162 HydrophobicContact CH2-CB 4.09Å; W155-I162 HydrophobicContact CH2-CG2 4.15Å; W155-I162 HydrophobicContact CZ2-CB 4.2Å; W155-I162 HydrophobicContact CZ2-CD1 3.99Å; W155-I162 HydrophobicContact CZ2-CG2 4.49Å; W155-I162 HydrophobicContact CZ3-CB 3.86Å; W155-I162 HydrophobicContact CZ3-CG2 4.2Å; I162-I164 HydrophobicContact CD1-CG1 4.36Å; I162-I164 HydrophobicContact CG1-CG1 4.15Å; I162-V173 CarbonylContact O-C 3.58Å; I162-V173 VanDerWaalsContact O-CA 3.28Å; I162-V173 WeakPolarHBondContact O-CA 3.45Å; I162-G174 PolarHBondContact N-O 3.3Å; I162-G174 PolarHBondContact O-N 3.24Å
163	C	96.8	Very high	94.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	128.4	170.6	-177.8	0	0	0	0	109.2	M153 K154 V171 V173 V193 W195 I202	M153-C163 CarbonylContact C-O 3.59Å; M153-C163 WeakPolarHBondContact CA-O 3.38Å; K154-C163 PolarHBondContact N-O 3.36Å; K154-C163 PolarHBondContact O-N 3.41Å; C163-V171 VanDerWaalsContact SG-CG1 3.53Å; C163-V173 HydrophobicContact CB-CG2 3.87Å; C163-V193 HydrophobicContact CB-CG1 3.76Å; C163-V193 VanDerWaalsContact SG-CG1 3.54Å; C163-W195 HydrophobicContact CB-CZ2 3.73Å; C163-I202 HydrophobicContact CB-CD1 4.41Å
164	I	95.7	Very high	94.5	Very high	14 Å²	14	24 Å²	24	7%	0.072	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	117.5	-178.5	-55.1	168	0	0	0	107.5	I127 V150 I162 Y166 V171 I172	I127-I164 HydrophobicContact CD1-CD1 3.93Å; I127-I164 HydrophobicContact CD1-CG2 3.94Å; V150-I164 HydrophobicContact CG1-CG2 3.83Å; V150-I164 HydrophobicContact CG2-CG2 3.92Å; I162-I164 HydrophobicContact CD1-CG1 4.36Å; I162-I164 HydrophobicContact CG1-CG1 4.15Å; I164-Y166 HydrophobicContact CB-CE2 4.36Å; I164-Y166 HydrophobicContact CG2-CD2 4.22Å; I164-Y166 HydrophobicContact CG2-CE2 3.66Å; I164-V171 WeakPolarHBondContact O-CA 3.43Å; I164-I172 PolarHBondContact N-O 3.27Å; I164-I172 PolarHBondContact O-N 3.12Å
165	A	94.8	Very high	94.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	120.8	174.6	0	0	0	0	0	111.1	N151 S152 V171 I190 V193	N151-A165 PolarHBondContact N-O 2.9Å; S152-A165 PolarHBondContact N-O 3.36Å; S152-A165 PolarHBondContact O-N 3.07Å; A165-V171 HydrophobicContact CB-CG2 4.47Å; A165-I190 HydrophobicContact CB-CB 4.04Å; A165-I190 HydrophobicContact CB-CD1 4.28Å; A165-I190 HydrophobicContact CB-CG2 3.54Å; A165-V193 HydrophobicContact CB-CG2 3.25Å
166	Y	94.2	Very high	94.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	152.3	175.9	-65.6	-91.5	0	0	0	111	R145 T149 V150 I164 D168 G169 M170 I172	R145-Y166 HydrophobicContact CB-CE1 4.08Å; T149-Y166 CarbonylContact O-C 3.5Å; T149-Y166 VanDerWaalsContact O-CA 3.29Å; T149-Y166 WeakPolarHBondContact O-CA 3.38Å; V150-Y166 HydrophobicContact CG2-CD1 3.86Å; V150-Y166 HydrophobicContact CG2-CE1 3.61Å; I164-Y166 HydrophobicContact CB-CE2 4.36Å; I164-Y166 HydrophobicContact CG2-CD2 4.22Å; I164-Y166 HydrophobicContact CG2-CE2 3.66Å; Y166-D168 WeakPolarHBondContact CB-OD1 3.49Å; Y166-D168 PolarHBondContact O-N 3.21Å; Y166-G169 PolarHBondContact O-N 3.37Å; Y166-M170 WeakPolarHBondContact CB-O 3.41Å; Y166-M170 HydrophobicContact CD2-CB 4.26Å; Y166-M170 WeakPolarHBondContact CD2-O 3.43Å; Y166-M170 PolarHBondContact N-O 3.26Å; Y166-I172 HydrophobicContact CD2-CD1 4.49Å; Y166-I172 HydrophobicContact CD2-CG1 4.45Å; Y166-I172 HydrophobicContact CE2-CB 4.44Å; Y166-I172 HydrophobicContact CE2-CD1 3.67Å; Y166-I172 HydrophobicContact CE2-CG1 3.92Å
167	N	91.8	Very high	94.3	Very high	54 Å²	54	27 Å²	27	29%	0.289	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-22.9	-179.9	-175.1	49.9	0	0	0	113.3	T149 N151 G169 N189	T149-N167 PolarHBondContact O-N 2.79Å; T149-N167 WeakPolarHBondContact OG1-CB 3.29Å; N151-N167 WeakPolarHBondContact ND2-CA 3.45Å; N151-N167 WeakPolarHBondContact ND2-CB 3.35Å; N151-N167 PolarHBondContact ND2-OD1 2.93Å; N167-G169 PolarHBondContact O-N 3.03Å; N167-N189 WeakPolarHBondContact O-CA 3.38Å; N167-N189 VanDerWaalsContact O-CG 3.31Å; N167-N189 PolarHBondContact O-OD1 3.4Å
168	D	91.4	Very high	94.2	Very high	62 Å²	62	26.2 Å²	26.2	33%	0.332	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	6	176.1	64.6	-19.4	0	0	0	112.7	R145 S148 Y166 M170	R145-D168 IonicContact CZ-OD1 2.76Å; R145-D168 IonicContact CZ-OD2 3.95Å; R145-D168 VanDerWaalsContact NH1-CG 3.33Å; R145-D168 IonicContact NH1-OD1 3.96Å; R145-D168 PolarHBondContact NH1-OD1 3.04Å; R145-D168 VanDerWaalsContact NH1-OD1 3.14Å; R145-D168 IonicContact NH1-OD2 3.04Å; R145-D168 PolarHBondContact NH1-OD2 3.11Å; R145-D168 IonicContact NH2-OD2 3.85Å; R145-D168 PolarHBondContact NH2-OD2 3.24Å; S148-D168 VanDerWaalsContact CB-CG 3.41Å; S148-D168 WeakPolarHBondContact CB-OD1 3.36Å; S148-D168 WeakPolarHBondContact CB-OD2 3.4Å; S148-D168 PolarHBondContact OG-N 3.19Å; S148-D168 VanDerWaalsContact OG-N 3.11Å; S148-D168 PolarHBondContact OG-OD1 3.38Å; Y166-D168 WeakPolarHBondContact CB-OD1 3.49Å; Y166-D168 PolarHBondContact O-N 3.21Å; D168-M170 VanDerWaalsContact C-N 3.34Å; D168-M170 PolarHBondContact OD1-N 3.39Å
169	G	92.6	Very high	94.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	86.4	1.6	176.7	0	0	0	0	0	114.8	Y166 N167 L186 Q188 I190	Y166-G169 PolarHBondContact O-N 3.37Å; N167-G169 PolarHBondContact O-N 3.03Å; G169-L186 CarbonylContact C-O 3.54Å; G169-L186 WeakPolarHBondContact CA-O 3.25Å; G169-L186 PolarHBondContact O-N 2.95Å; G169-Q188 WeakPolarHBondContact CA-O 3.33Å; G169-I190 WeakPolarHBondContact O-CD1 3.45Å
170	M	94.3	Very high	94.3	Very high	44 Å²	44	35 Å²	35	22%	0.217	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	132.8	170.6	-165.3	175.4	-169.2	0	0	110.3	R145 Y166 D168 I172 V183	R145-M170 PolarHBondContact NE-SD 2.94Å; R145-M170 PolarHBondContact NH2-SD 3.18Å; Y166-M170 WeakPolarHBondContact CB-O 3.41Å; Y166-M170 HydrophobicContact CD2-CB 4.26Å; Y166-M170 WeakPolarHBondContact CD2-O 3.43Å; Y166-M170 PolarHBondContact N-O 3.26Å; D168-M170 VanDerWaalsContact C-N 3.34Å; D168-M170 PolarHBondContact OD1-N 3.39Å; M170-I172 HydrophobicContact CE-CD1 4.05Å; M170-I172 HydrophobicContact CE-CG1 4.27Å; M170-I172 HydrophobicContact CG-CG1 4.26Å; M170-I172 HydrophobicContact SD-CD1 4.25Å; M170-I172 HydrophobicContact SD-CG1 4.49Å; M170-V183 HydrophobicContact CE-CG1 3.32Å; M170-V183 HydrophobicContact CE-CG2 4.48Å; M170-V183 HydrophobicContact CG-CG1 4.16Å
171	V	95.2	Very high	94.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	129.1	173.2	-177.2	0	0	0	0	108.8	C163 I164 A165 W182 V183 S184 L186 I190 L204	C163-V171 VanDerWaalsContact SG-CG1 3.53Å; I164-V171 WeakPolarHBondContact O-CA 3.43Å; A165-V171 HydrophobicContact CB-CG2 4.47Å; V171-W182 HydrophobicContact CB-CZ3 4.38Å; V171-W182 HydrophobicContact CG1-CH2 4.11Å; V171-W182 HydrophobicContact CG1-CZ3 3.92Å; V171-V183 CarbonylContact O-C 3.59Å; V171-V183 VanDerWaalsContact O-CA 3.3Å; V171-V183 WeakPolarHBondContact O-CA 3.28Å; V171-S184 PolarHBondContact N-O 3.3Å; V171-S184 PolarHBondContact O-N 3.16Å; V171-L186 HydrophobicContact CG2-CD1 4.22Å; V171-I190 HydrophobicContact CG2-CD1 3.13Å; V171-L204 HydrophobicContact CB-CD1 4.49Å; V171-L204 HydrophobicContact CG1-CD1 4.32Å; V171-L204 HydrophobicContact CG1-CD2 4.32Å; V171-L204 HydrophobicContact CG2-CD1 3.78Å; V171-L204 HydrophobicContact CG2-CD2 4.23Å
172	I	95.1	Very high	94.3	Very high	23 Å²	23	36.7 Å²	36.7	12%	0.118	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	124.9	177.5	-56	-174.5	0	0	0	108	I164 Y166 M170 K180 V183	I164-I172 PolarHBondContact N-O 3.27Å; I164-I172 PolarHBondContact O-N 3.12Å; Y166-I172 HydrophobicContact CD2-CD1 4.49Å; Y166-I172 HydrophobicContact CD2-CG1 4.45Å; Y166-I172 HydrophobicContact CE2-CB 4.44Å; Y166-I172 HydrophobicContact CE2-CD1 3.67Å; Y166-I172 HydrophobicContact CE2-CG1 3.92Å; M170-I172 HydrophobicContact CE-CD1 4.05Å; M170-I172 HydrophobicContact CE-CG1 4.27Å; M170-I172 HydrophobicContact CG-CG1 4.26Å; M170-I172 HydrophobicContact SD-CD1 4.25Å; M170-I172 HydrophobicContact SD-CG1 4.49Å; I172-K180 HydrophobicContact CG2-CD 4.26Å; I172-K180 HydrophobicContact CG2-CG 3.86Å; I172-V183 HydrophobicContact CG1-CG2 4.27Å; I172-V183 HydrophobicContact CG2-CG2 4.46Å
173	V	96.6	Very high	94.2	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	123.9	167.5	-179.9	0	0	0	0	108.9	K161 I162 C163 L181 W182 W195 I202	K161-V173 HydrophobicContact CB-CG1 4.13Å; K161-V173 HydrophobicContact CD-CG1 4.3Å; I162-V173 CarbonylContact O-C 3.58Å; I162-V173 VanDerWaalsContact O-CA 3.28Å; I162-V173 WeakPolarHBondContact O-CA 3.45Å; C163-V173 HydrophobicContact CB-CG2 3.87Å; V173-L181 HydrophobicContact CG1-CB 4.48Å; V173-L181 HydrophobicContact CG1-CD1 4.21Å; V173-L181 WeakPolarHBondContact O-CA 3.42Å; V173-L181 WeakPolarHBondContact O-CB 3.49Å; V173-L181 PolarHBondContact O-N 2.67Å; V173-W182 HydrophobicContact CB-CD2 3.9Å; V173-W182 HydrophobicContact CB-CE3 4.49Å; V173-W182 HydrophobicContact CB-CG 4.26Å; V173-W182 HydrophobicContact CB-CZ2 4.02Å; V173-W182 HydrophobicContact CG2-CD2 3.88Å; V173-W182 HydrophobicContact CG2-CE3 4.17Å; V173-W182 HydrophobicContact CG2-CH2 3.52Å; V173-W182 HydrophobicContact CG2-CZ2 3.2Å; V173-W182 HydrophobicContact CG2-CZ3 3.99Å; V173-W182 PolarHBondContact N-O 3.47Å; V173-W182 PolarHBondContact O-N 3.36Å; V173-W195 HydrophobicContact CG1-CH2 4.18Å; V173-W195 HydrophobicContact CG1-CZ2 4.28Å; V173-I202 HydrophobicContact CG2-CD1 3.95Å
174	G	95.1	Very high	94.1	Very high	10 Å²	10	40.1 Å²	40.1	10%	0.103	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	159.5	178	0	0	0	0	0	112.1	K161 I162 N179	K161-G174 CarbonylContact C-O 3.47Å; K161-G174 VanDerWaalsContact CA-O 3.22Å; K161-G174 WeakPolarHBondContact CA-O 3.42Å; I162-G174 PolarHBondContact N-O 3.3Å; I162-G174 PolarHBondContact O-N 3.24Å; G174-N179 CarbonylContact C-O 3.47Å; G174-N179 WeakPolarHBondContact CA-O 3.21Å
175	S	95.9	Very high	93.9	Very high	15 Å²	15	45.7 Å²	45.7	11%	0.105	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	164.6	170.1	75.4	0	0	0	0	111.3	S160 D177 G178 N179	S160-S175 CarbonylContact O-C 3.53Å; S160-S175 WeakPolarHBondContact O-CA 3.45Å; S175-D177 PolarHBondContact O-N 2.96Å; S175-D177 PolarHBondContact OG-N 2.98Å; S175-G178 PolarHBondContact O-N 3.03Å; S175-G178 PolarHBondContact OG-N 3.34Å; S175-N179 PolarHBondContact N-O 3Å; S175-N179 WeakPolarHBondContact OG-CB 3.38Å; S175-N179 PolarHBondContact OG-N 3.21Å
176	V	94.3	Very high	93.6	Very high	10 Å²	10	46.1 Å²	46.1	6%	0.061	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-23.7	174.8	66.8	0	0	0	0	114.4	F115 K117 W155 S160	F115-V176 HydrophobicContact CB-CG2 4.03Å; F115-V176 HydrophobicContact CD1-CG2 4.15Å; F115-V176 HydrophobicContact CD2-CG2 3.91Å; F115-V176 HydrophobicContact CE1-CG1 4.32Å; F115-V176 HydrophobicContact CE2-CG1 4.46Å; F115-V176 HydrophobicContact CE2-CG2 4.4Å; F115-V176 HydrophobicContact CG-CG2 3.76Å; F115-V176 HydrophobicContact CZ-CG1 4.23Å; K117-V176 HydrophobicContact CD-CG2 4.06Å; K117-V176 PolarHBondContact NZ-O 3.4Å; W155-V176 HydrophobicContact CH2-CB 4.29Å; W155-V176 HydrophobicContact CH2-CG2 4.05Å; W155-V176 HydrophobicContact CZ3-CB 3.89Å; W155-V176 HydrophobicContact CZ3-CG2 3.94Å; S160-V176 PolarHBondContact O-N 3.21Å
177	D	91.8	Very high	93.3	Very high	115 Å²	115	54 Å²	54	62%	0.615	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-2.1	177.1	-47.8	-52.7	0	0	0	113.1	S175	S175-D177 PolarHBondContact O-N 2.96Å; S175-D177 PolarHBondContact OG-N 2.98Å
178	G	90.1	Very high	93.1	Very high	39 Å²	39	54 Å²	54	40%	0.402	28%	0.283	S	S	.	.	S	Bend	trans	99.1	1	177.2	0	0	0	0	0	117	S175 K180	S175-G178 PolarHBondContact O-N 3.03Å; S175-G178 PolarHBondContact OG-N 3.34Å; G178-K180 PolarHBondContact O-N 3.23Å
179	N	93.7	Very high	93	Very high	108 Å²	108	54.5 Å²	54.5	58%	0.578	29%	0.286	S	S	*	.			trans	-73.3	130.6	179	-65.2	-40.9	0	0	0	110.1	G174 S175 L181	G174-N179 CarbonylContact C-O 3.47Å; G174-N179 WeakPolarHBondContact CA-O 3.21Å; S175-N179 PolarHBondContact N-O 3Å; S175-N179 WeakPolarHBondContact OG-CB 3.38Å; S175-N179 PolarHBondContact OG-N 3.21Å; N179-L181 PolarHBondContact O-N 2.66Å
180	K	93.8	Very high	93	Very high	146 Å²	146	54.5 Å²	54.5	64%	0.635	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.5	112.6	175.4	-170.7	-179.5	74.5	-179.8	0	109.8	I172 G178 V183	I172-K180 HydrophobicContact CG2-CD 4.26Å; I172-K180 HydrophobicContact CG2-CG 3.86Å; G178-K180 PolarHBondContact O-N 3.23Å; K180-V183 HydrophobicContact CD-CG2 3.5Å; K180-V183 HydrophobicContact CG-CG2 3.99Å
181	L	94.8	Very high	93	Very high	85 Å²	85	54.2 Å²	54.2	45%	0.445	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	-52.6	-177.9	-61.8	179.3	0	0	0	111.5	K161 V173 N179	K161-L181 HydrophobicContact CB-CD1 4.4Å; K161-L181 HydrophobicContact CD-CD1 3.59Å; K161-L181 HydrophobicContact CG-CD1 3.65Å; V173-L181 HydrophobicContact CG1-CB 4.48Å; V173-L181 HydrophobicContact CG1-CD1 4.21Å; V173-L181 WeakPolarHBondContact O-CA 3.42Å; V173-L181 WeakPolarHBondContact O-CB 3.49Å; V173-L181 PolarHBondContact O-N 2.67Å; N179-L181 PolarHBondContact O-N 2.66Å
182	W	96	Very high	92.9	Very high	32 Å²	32	54.4 Å²	54.4	12%	0.121	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	164.2	174.9	57.6	-102.6	0	0	0	111.7	V171 V173 I202 S216 G218	V171-W182 HydrophobicContact CB-CZ3 4.38Å; V171-W182 HydrophobicContact CG1-CH2 4.11Å; V171-W182 HydrophobicContact CG1-CZ3 3.92Å; V173-W182 HydrophobicContact CB-CD2 3.9Å; V173-W182 HydrophobicContact CB-CE3 4.49Å; V173-W182 HydrophobicContact CB-CG 4.26Å; V173-W182 HydrophobicContact CB-CZ2 4.02Å; V173-W182 HydrophobicContact CG2-CD2 3.88Å; V173-W182 HydrophobicContact CG2-CE3 4.17Å; V173-W182 HydrophobicContact CG2-CH2 3.52Å; V173-W182 HydrophobicContact CG2-CZ2 3.2Å; V173-W182 HydrophobicContact CG2-CZ3 3.99Å; V173-W182 PolarHBondContact N-O 3.47Å; V173-W182 PolarHBondContact O-N 3.36Å; W182-I202 HydrophobicContact CH2-CD1 4.12Å; W182-I202 HydrophobicContact CZ2-CD1 3.57Å; W182-S216 PolarHBondContact NE1-O 3.28Å; W182-G218 VanDerWaalsContact CZ2-CA 3.47Å
183	V	94.6	Very high	92.9	Very high	62 Å²	62	53.4 Å²	53.4	38%	0.376	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	135.3	178.5	178.1	0	0	0	0	108.3	M170 V171 I172 K180	M170-V183 HydrophobicContact CE-CG1 3.32Å; M170-V183 HydrophobicContact CE-CG2 4.48Å; M170-V183 HydrophobicContact CG-CG1 4.16Å; V171-V183 CarbonylContact O-C 3.59Å; V171-V183 VanDerWaalsContact O-CA 3.3Å; V171-V183 WeakPolarHBondContact O-CA 3.28Å; I172-V183 HydrophobicContact CG1-CG2 4.27Å; I172-V183 HydrophobicContact CG2-CG2 4.46Å; K180-V183 HydrophobicContact CD-CG2 3.5Å; K180-V183 HydrophobicContact CG-CG2 3.99Å
184	S	93.5	Very high	92.9	Very high	23 Å²	23	54.2 Å²	54.2	16%	0.161	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	152.5	170.3	-174.3	0	0	0	0	109.6	V171	V171-S184 PolarHBondContact N-O 3.3Å; V171-S184 PolarHBondContact O-N 3.16Å
185	E	92.5	Very high	92.9	Very high	132 Å²	132	54.2 Å²	54.2	62%	0.617	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.1	113.3	175.5	-170.9	177.8	164.8	0	0	108.8	H187	E185-H187 IonicContact OE1-CE1 3.51Å; E185-H187 IonicContact OE1-ND1 2.78Å
186	L	89	Confident	92.7	Very high	9 Å²	9	53.9 Å²	53.9	5%	0.047	28%	0.281	C	S	.	.			trans	-93.9	126.7	167.6	-80.7	136.9	0	0	0	107.6	G169 V171 Q188 I190 L204 Y212 Y214	G169-L186 CarbonylContact C-O 3.54Å; G169-L186 WeakPolarHBondContact CA-O 3.25Å; G169-L186 PolarHBondContact O-N 2.95Å; V171-L186 HydrophobicContact CG2-CD1 4.22Å; L186-Q188 PolarHBondContact O-N 3.29Å; L186-I190 HydrophobicContact CB-CD1 4.2Å; L186-I190 HydrophobicContact CB-CG1 4.44Å; L186-I190 HydrophobicContact CD1-CD1 3.63Å; L186-I190 HydrophobicContact CD1-CG1 4.2Å; L186-L204 HydrophobicContact CD1-CB 4.31Å; L186-L204 HydrophobicContact CD1-CD1 3.54Å; L186-Y212 HydrophobicContact CD2-CD1 3.65Å; L186-Y212 HydrophobicContact CD2-CD2 3.82Å; L186-Y212 HydrophobicContact CD2-CE1 3.71Å; L186-Y212 HydrophobicContact CD2-CE2 3.92Å; L186-Y212 HydrophobicContact CD2-CG 3.72Å; L186-Y214 HydrophobicContact CD1-CE2 4.25Å
187	H	86.8	Confident	92.2	Very high	166 Å²	166	54.6 Å²	54.6	77%	0.769	29%	0.287	S	S	*	.	S	Bend	trans	-76.5	41.3	175	-58.8	-53.5	0	0	0	112.5	E185	E185-H187 IonicContact OE1-CE1 3.51Å; E185-H187 IonicContact OE1-ND1 2.78Å
188	Q	87	Confident	91.9	Very high	54 Å²	54	56 Å²	56	25%	0.252	28%	0.284	S	S	.	.	S	Bend	trans	-148	151.5	178.2	-64.1	-169.2	36.2	0	0	110.1	G169 L186 I190 T206 S208 E210 Y212	G169-Q188 WeakPolarHBondContact CA-O 3.33Å; L186-Q188 PolarHBondContact O-N 3.29Å; Q188-I190 PolarHBondContact O-N 2.94Å; Q188-T206 HydrophobicContact CB-CG2 3.85Å; Q188-T206 PolarHBondContact OE1-OG1 2.98Å; Q188-S208 PolarHBondContact OE1-OG 3.36Å; Q188-E210 PolarHBondContact NE2-OE2 3Å; Q188-Y212 PolarHBondContact NE2-OH 3.34Å; Q188-Y212 VanDerWaalsContact NE2-OH 3.11Å
189	N	90.7	Very high	91.8	Very high	72 Å²	72	55.1 Å²	55.1	39%	0.385	27%	0.27	S	S	.	.			trans	-70.3	122	177.2	-62.5	5.6	0	0	0	110	N167 T206 T207	N167-N189 WeakPolarHBondContact O-CA 3.38Å; N167-N189 VanDerWaalsContact O-CG 3.31Å; N167-N189 PolarHBondContact O-OD1 3.4Å; N189-T206 CarbonylContact O-C 3.56Å; N189-T206 VanDerWaalsContact O-CA 3.26Å; N189-T206 WeakPolarHBondContact O-CA 3.38Å; N189-T207 HydrophobicContact CB-CG2 3.7Å; N189-T207 PolarHBondContact O-N 2.92Å
190	I	92.9	Very high	91.7	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	132	179.1	-57.3	168.1	0	0	0	108.9	N151 A165 G169 V171 L186 Q188	N151-I190 VanDerWaalsContact CB-O 3.23Å; N151-I190 WeakPolarHBondContact CB-O 3.29Å; N151-I190 PolarHBondContact ND2-O 3.5Å; A165-I190 HydrophobicContact CB-CB 4.04Å; A165-I190 HydrophobicContact CB-CD1 4.28Å; A165-I190 HydrophobicContact CB-CG2 3.54Å; G169-I190 WeakPolarHBondContact O-CD1 3.45Å; V171-I190 HydrophobicContact CG2-CD1 3.13Å; L186-I190 HydrophobicContact CB-CD1 4.2Å; L186-I190 HydrophobicContact CB-CG1 4.44Å; L186-I190 HydrophobicContact CD1-CD1 3.63Å; L186-I190 HydrophobicContact CD1-CG1 4.2Å; Q188-I190 PolarHBondContact O-N 2.94Å
191	V	92.7	Very high	91.7	Very high	37 Å²	37	51.4 Å²	51.4	22%	0.224	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	-36.3	-178.3	-175.7	0	0	0	0	111.8	S152 G205 T207 L238	S152-V191 WeakPolarHBondContact CB-O 3.07Å; V191-G205 PolarHBondContact N-O 3.32Å; V191-T207 HydrophobicContact CG2-CG2 3.29Å; V191-L238 WeakPolarHBondContact CG1-O 3.47Å
192	A	93.9	Very high	91.8	Very high	5 Å²	5	47.4 Å²	47.4	4%	0.041	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	140.4	-173.5	0	0	0	0	0	111.8	G205 L238 I241	A192-G205 PolarHBondContact N-O 3.29Å; A192-G205 PolarHBondContact O-N 2.96Å; A192-L238 HydrophobicContact CB-CD2 4.38Å; A192-I241 HydrophobicContact CB-CB 4.4Å; A192-I241 HydrophobicContact CB-CD1 4.14Å; A192-I241 HydrophobicContact CB-CG1 4.06Å
193	V	95.6	Very high	91.8	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.012	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	131.6	169.9	175.9	0	0	0	0	107.5	S152 K154 C163 A165 I202 L203 L204	S152-V193 PolarHBondContact OG-N 3.18Å; S152-V193 VanDerWaalsContact OG-N 3.12Å; K154-V193 HydrophobicContact CB-CG1 4.38Å; K154-V193 VanDerWaalsContact CG-O 3.27Å; K154-V193 WeakPolarHBondContact CG-O 3.38Å; C163-V193 HydrophobicContact CB-CG1 3.76Å; C163-V193 VanDerWaalsContact SG-CG1 3.54Å; A165-V193 HydrophobicContact CB-CG2 3.25Å; V193-I202 HydrophobicContact CG1-CG2 4.09Å; V193-L203 WeakPolarHBondContact CA-O 3.37Å; V193-L204 HydrophobicContact CB-CD2 4.39Å; V193-L204 HydrophobicContact CG1-CD2 4.34Å; V193-L204 HydrophobicContact CG2-CD2 3.72Å
194	E	95.8	Very high	91.8	Very high	17 Å²	17	42.9 Å²	42.9	8%	0.079	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	133.2	171.7	-167.6	61.9	-174.7	0	0	111.3	K154 L203 I241 W243	K154-E194 IonicContact NZ-OE1 3.98Å; K154-E194 IonicContact NZ-OE2 2.73Å; K154-E194 PolarHBondContact NZ-OE2 3.38Å; E194-L203 HydrophobicContact CB-CB 4.43Å; E194-L203 PolarHBondContact N-O 3.41Å; E194-L203 PolarHBondContact O-N 3.4Å; E194-I241 HydrophobicContact CB-CB 4.14Å; E194-I241 HydrophobicContact CB-CG2 3.87Å; E194-I241 HydrophobicContact CG-CG2 4.3Å; E194-W243 HydrophobicContact CG-CB 4Å; E194-W243 PolarHBondContact OE1-N 3.32Å
195	W	94.7	Very high	91.8	Very high	9 Å²	9	41.8 Å²	41.8	3%	0.034	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	143.4	171.9	-69.9	90.2	0	0	0	109.6	K154 W155 K161 C163 V173 D199 I202	K154-W195 PolarHBondContact O-NE1 3.08Å; W155-W195 VanDerWaalsContact O-CD1 3.29Å; K161-W195 HydrophobicContact CB-CH2 4.05Å; K161-W195 HydrophobicContact CB-CZ2 4.11Å; K161-W195 HydrophobicContact CD-CH2 4.14Å; C163-W195 HydrophobicContact CB-CZ2 3.73Å; V173-W195 HydrophobicContact CG1-CH2 4.18Å; V173-W195 HydrophobicContact CG1-CZ2 4.28Å; W195-D199 HydrophobicContact CE3-CB 4.46Å; W195-I202 HydrophobicContact CD2-CD1 4.32Å; W195-I202 HydrophobicContact CD2-CG1 3.97Å; W195-I202 HydrophobicContact CE3-CD1 4.04Å; W195-I202 HydrophobicContact CE3-CG1 3.57Å; W195-I202 HydrophobicContact CH2-CD1 3.3Å; W195-I202 HydrophobicContact CH2-CG1 3.82Å; W195-I202 HydrophobicContact CZ2-CD1 3.63Å; W195-I202 HydrophobicContact CZ2-CG1 4.2Å; W195-I202 HydrophobicContact CZ3-CD1 3.53Å; W195-I202 HydrophobicContact CZ3-CG1 3.48Å; W195-I202 VanDerWaalsContact CZ3-CG1 3.48Å
196	S	91.8	Very high	91.7	Very high	8 Å²	8	35.5 Å²	35.5	6%	0.056	17%	0.168	C	C	.	.			trans	-62.7	149.8	164.4	64.8	0	0	0	0	110.1	Y198 D199 K200 L201	S196-Y198 PolarHBondContact O-N 2.87Å; S196-D199 PolarHBondContact O-N 3.24Å; S196-K200 PolarHBondContact OG-N 3.06Å; S196-L201 PolarHBondContact N-O 3.31Å; S196-L201 PolarHBondContact OG-N 3.34Å; S196-L201 PolarHBondContact OG-O 2.78Å
197	P	85.4	Confident	91.6	Very high	26 Å²	26	37.9 Å²	37.9	17%	0.169	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-24.9	-177.7	-31.6	36	0	0	0	116	S157 W243	S157-P197 VanDerWaalsContact CB-O 3.25Å; S157-P197 WeakPolarHBondContact CB-O 3.45Å; S157-P197 PolarHBondContact OG-O 3.41Å; P197-W243 HydrophobicContact CG-CD2 4.34Å; P197-W243 HydrophobicContact CG-CG 3.94Å
198	Y	84.8	Confident	91.3	Very high	143 Å²	143	33 Å²	33	56%	0.561	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.1	20.5	-179.6	-57.2	-68.6	0	0	0	114.6	S196 K200	S196-Y198 PolarHBondContact O-N 2.87Å; Y198-K200 PolarHBondContact O-N 3.48Å
199	D	88.6	Confident	91.1	Very high	21 Å²	21	30.5 Å²	30.5	11%	0.112	16%	0.157	C	C	.	.	S	Bend	trans	57.8	21.9	175.9	-57.5	-37.8	0	0	0	115.5	S156 S157 D158 W195 S196 S216	S156-D199 WeakPolarHBondContact CA-OD1 3.26Å; S156-D199 VanDerWaalsContact CB-OD1 3.23Å; S156-D199 WeakPolarHBondContact CB-OD1 3.46Å; S157-D199 WeakPolarHBondContact CB-OD1 3.33Å; S157-D199 PolarHBondContact N-OD1 3.34Å; S157-D199 PolarHBondContact N-OD2 2.99Å; D158-D199 WeakPolarHBondContact CB-OD2 3.5Å; D158-D199 VanDerWaalsContact CG-OD2 3.28Å; D158-D199 PolarHBondContact N-OD2 3Å; W195-D199 HydrophobicContact CE3-CB 4.46Å; S196-D199 PolarHBondContact O-N 3.24Å; D199-S216 VanDerWaalsContact O-CB 3.24Å; D199-S216 WeakPolarHBondContact O-CB 3.49Å
200	K	91.2	Very high	91	Very high	147 Å²	147	30 Å²	30	64%	0.639	15%	0.152	S	C	*	.	S	Bend	trans	-82.7	-39.6	179	-66.8	-175.4	-178.3	175.1	0	112	S196 Y198 S216	S196-K200 PolarHBondContact OG-N 3.06Å; Y198-K200 PolarHBondContact O-N 3.48Å; K200-S216 PolarHBondContact O-N 3.25Å; K200-S216 VanDerWaalsContact O-N 3.11Å
201	L	94.3	Very high	91	Very high	30 Å²	30	30 Å²	30	16%	0.157	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	151.4	-173.7	-55.2	174.8	0	0	0	111.3	S196 V213 Y214 E274	S196-L201 PolarHBondContact N-O 3.31Å; S196-L201 PolarHBondContact OG-N 3.34Å; S196-L201 PolarHBondContact OG-O 2.78Å; L201-V213 HydrophobicContact CB-CG1 4.24Å; L201-V213 HydrophobicContact CD1-CG1 4.06Å; L201-V213 HydrophobicContact CD2-CG1 3.97Å; L201-V213 HydrophobicContact CG-CG1 4.32Å; L201-Y214 CarbonylContact C-O 3.59Å; L201-Y214 VanDerWaalsContact CA-O 3.25Å; L201-Y214 WeakPolarHBondContact CA-O 3.29Å; L201-E274 VanDerWaalsContact CD1-CD 3.49Å; L201-E274 HydrophobicContact CD1-CG 3.84Å
202	I	95.8	Very high	91	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125.5	168.8	-51.4	-177.2	0	0	0	108	C163 V173 W182 V193 W195 L204 Y214	C163-I202 HydrophobicContact CB-CD1 4.41Å; V173-I202 HydrophobicContact CG2-CD1 3.95Å; W182-I202 HydrophobicContact CH2-CD1 4.12Å; W182-I202 HydrophobicContact CZ2-CD1 3.57Å; V193-I202 HydrophobicContact CG1-CG2 4.09Å; W195-I202 HydrophobicContact CD2-CD1 4.32Å; W195-I202 HydrophobicContact CD2-CG1 3.97Å; W195-I202 HydrophobicContact CE3-CD1 4.04Å; W195-I202 HydrophobicContact CE3-CG1 3.57Å; W195-I202 HydrophobicContact CH2-CD1 3.3Å; W195-I202 HydrophobicContact CH2-CG1 3.82Å; W195-I202 HydrophobicContact CZ2-CD1 3.63Å; W195-I202 HydrophobicContact CZ2-CG1 4.2Å; W195-I202 HydrophobicContact CZ3-CD1 3.53Å; W195-I202 HydrophobicContact CZ3-CG1 3.48Å; W195-I202 VanDerWaalsContact CZ3-CG1 3.48Å; I202-L204 HydrophobicContact CG2-CD2 4.03Å; I202-L204 HydrophobicContact CG2-CG 4.29Å; I202-Y214 PolarHBondContact N-O 3.29Å; I202-Y214 PolarHBondContact O-N 3.02Å
203	L	95.5	Very high	91.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	125.7	174.2	-55.1	-173.7	0	0	0	109.4	V193 E194 I211 Y212 V213 I224 I241 W243 L259	V193-L203 WeakPolarHBondContact CA-O 3.37Å; E194-L203 HydrophobicContact CB-CB 4.43Å; E194-L203 PolarHBondContact N-O 3.41Å; E194-L203 PolarHBondContact O-N 3.4Å; L203-I211 HydrophobicContact CB-CG2 4.09Å; L203-Y212 WeakPolarHBondContact CA-O 3.48Å; L203-V213 HydrophobicContact CD2-CB 4.25Å; L203-V213 HydrophobicContact CD2-CG1 4.1Å; L203-V213 HydrophobicContact CD2-CG2 3.73Å; L203-I224 HydrophobicContact CD1-CD1 4.13Å; L203-I224 HydrophobicContact CD2-CD1 3.99Å; L203-I241 HydrophobicContact CB-CD1 4.39Å; L203-I241 HydrophobicContact CB-CG2 4.47Å; L203-I241 HydrophobicContact CD1-CG2 3.94Å; L203-W243 HydrophobicContact CD1-CE3 3.74Å; L203-W243 HydrophobicContact CD1-CZ3 3.68Å; L203-W243 HydrophobicContact CD2-CZ3 4.46Å; L203-W243 HydrophobicContact CG-CE3 4.4Å; L203-W243 HydrophobicContact CG-CZ3 4.13Å; L203-L259 HydrophobicContact CD1-CD1 3.79Å; L203-L259 HydrophobicContact CD1-CD2 4.06Å
204	L	95.8	Very high	91.1	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	109.1	178.2	-61.5	176.1	0	0	0	109.4	V171 L186 V193 I202 I211 Y212 Y214	V171-L204 HydrophobicContact CB-CD1 4.49Å; V171-L204 HydrophobicContact CG1-CD1 4.32Å; V171-L204 HydrophobicContact CG1-CD2 4.32Å; V171-L204 HydrophobicContact CG2-CD1 3.78Å; V171-L204 HydrophobicContact CG2-CD2 4.23Å; L186-L204 HydrophobicContact CD1-CB 4.31Å; L186-L204 HydrophobicContact CD1-CD1 3.54Å; V193-L204 HydrophobicContact CB-CD2 4.39Å; V193-L204 HydrophobicContact CG1-CD2 4.34Å; V193-L204 HydrophobicContact CG2-CD2 3.72Å; I202-L204 HydrophobicContact CG2-CD2 4.03Å; I202-L204 HydrophobicContact CG2-CG 4.29Å; L204-I211 CarbonylContact O-C 3.54Å; L204-I211 WeakPolarHBondContact O-CA 3.23Å; L204-Y212 PolarHBondContact N-O 3.38Å; L204-Y212 PolarHBondContact O-N 3.39Å; L204-Y214 HydrophobicContact CD1-CD2 3.6Å; L204-Y214 HydrophobicContact CD1-CE2 3.6Å; L204-Y214 HydrophobicContact CD1-CG 4.46Å; L204-Y214 HydrophobicContact CG-CD2 4.28Å
205	G	92.9	Very high	91	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	130.4	178.8	0	0	0	0	0	112.1	V191 A192 E210 L238	V191-G205 PolarHBondContact N-O 3.32Å; A192-G205 PolarHBondContact N-O 3.29Å; A192-G205 PolarHBondContact O-N 2.96Å; G205-E210 WeakPolarHBondContact CA-O 3.49Å; G205-L238 VanDerWaalsContact CA-CD2 3.4Å
206	T	91.5	Very high	90.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	164.6	178.2	63.8	0	0	0	0	112.1	Q188 N189 S208 G209 E210 Y212	Q188-T206 HydrophobicContact CB-CG2 3.85Å; Q188-T206 PolarHBondContact OE1-OG1 2.98Å; N189-T206 CarbonylContact O-C 3.56Å; N189-T206 VanDerWaalsContact O-CA 3.26Å; N189-T206 WeakPolarHBondContact O-CA 3.38Å; T206-S208 PolarHBondContact O-N 3.36Å; T206-S208 PolarHBondContact OG1-OG 2.88Å; T206-G209 PolarHBondContact O-N 2.95Å; T206-E210 PolarHBondContact N-O 3.05Å; T206-E210 PolarHBondContact OG1-N 3.43Å; T206-E210 PolarHBondContact OG1-O 3.47Å; T206-Y212 HydrophobicContact CG2-CD2 4.01Å; T206-Y212 HydrophobicContact CG2-CE2 3.73Å
207	T	86.4	Confident	90.8	Very high	58 Å²	58	35.2 Å²	35.2	36%	0.356	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-25.3	175.2	49.6	0	0	0	0	113.5	N189 V191 G209	N189-T207 HydrophobicContact CB-CG2 3.7Å; N189-T207 PolarHBondContact O-N 2.92Å; V191-T207 HydrophobicContact CG2-CG2 3.29Å; T207-G209 PolarHBondContact O-N 2.98Å
208	S	81	Confident	91	Very high	63 Å²	63	34.8 Å²	34.8	44%	0.441	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-6.8	176.5	60	0	0	0	0	113.5	Q188 T206	Q188-S208 PolarHBondContact OE1-OG 3.36Å; T206-S208 PolarHBondContact O-N 3.36Å; T206-S208 PolarHBondContact OG1-OG 2.88Å
209	G	82.8	Confident	91.5	Very high	2 Å²	2	32.5 Å²	32.5	2%	0.021	18%	0.183	C	C	.	.	S	Bend	trans	86.9	1.9	-177.6	0	0	0	0	0	114.4	T206 T207 Y263	T206-G209 PolarHBondContact O-N 2.95Å; T207-G209 PolarHBondContact O-N 2.98Å; G209-Y263 PolarHBondContact O-OH 3.33Å
210	E	87.6	Confident	91.7	Very high	61 Å²	61	36.4 Å²	36.4	29%	0.285	20%	0.199	S	C	.	.			trans	-74.7	144.4	171.5	-60.8	-170.3	117.7	0	0	111	Q188 G205 T206 Y212 K223	Q188-E210 PolarHBondContact NE2-OE2 3Å; G205-E210 WeakPolarHBondContact CA-O 3.49Å; T206-E210 PolarHBondContact N-O 3.05Å; T206-E210 PolarHBondContact OG1-N 3.43Å; T206-E210 PolarHBondContact OG1-O 3.47Å; E210-Y212 HydrophobicContact CB-CD2 4.45Å; E210-Y212 HydrophobicContact CB-CE2 3.8Å; E210-Y212 PolarHBondContact OE2-OH 3.45Å; E210-K223 IonicContact OE1-NZ 2.71Å; E210-K223 PolarHBondContact OE1-NZ 3.13Å; E210-K223 IonicContact OE2-NZ 3.16Å; E210-K223 PolarHBondContact OE2-NZ 3.44Å
211	I	92.7	Very high	91.8	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	120	176.6	-54.7	175	0	0	0	109.2	L203 L204 K223 I224 V226 I241 I261	L203-I211 HydrophobicContact CB-CG2 4.09Å; L204-I211 CarbonylContact O-C 3.54Å; L204-I211 WeakPolarHBondContact O-CA 3.23Å; I211-K223 VanDerWaalsContact O-CA 3.29Å; I211-K223 WeakPolarHBondContact O-CA 3.48Å; I211-I224 HydrophobicContact CB-CB 4.26Å; I211-I224 HydrophobicContact CB-CD1 4.46Å; I211-I224 HydrophobicContact CB-CG1 4.45Å; I211-I224 HydrophobicContact CG2-CD1 3.94Å; I211-I224 HydrophobicContact CG2-CG1 4.26Å; I211-I224 PolarHBondContact O-N 3.49Å; I211-V226 HydrophobicContact CD1-CG2 4.26Å; I211-I241 HydrophobicContact CD1-CD1 3.79Å; I211-I241 HydrophobicContact CD1-CG1 4.15Å; I211-I241 HydrophobicContact CG1-CD1 3.96Å; I211-I241 HydrophobicContact CG2-CD1 3.85Å; I211-I261 HydrophobicContact CD1-CB 4.34Å; I211-I261 HydrophobicContact CD1-CD1 3.36Å; I211-I261 HydrophobicContact CD1-CG1 3.66Å; I211-I261 HydrophobicContact CD1-CG2 3.7Å
212	Y	94.2	Very high	91.7	Very high	25 Å²	25	35.3 Å²	35.3	10%	0.098	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	131.5	179	-64.4	-108.6	0	0	0	109.2	L186 Q188 L203 L204 T206 E210 F220 K223	L186-Y212 HydrophobicContact CD2-CD1 3.65Å; L186-Y212 HydrophobicContact CD2-CD2 3.82Å; L186-Y212 HydrophobicContact CD2-CE1 3.71Å; L186-Y212 HydrophobicContact CD2-CE2 3.92Å; L186-Y212 HydrophobicContact CD2-CG 3.72Å; Q188-Y212 PolarHBondContact NE2-OH 3.34Å; Q188-Y212 VanDerWaalsContact NE2-OH 3.11Å; L203-Y212 WeakPolarHBondContact CA-O 3.48Å; L204-Y212 PolarHBondContact N-O 3.38Å; L204-Y212 PolarHBondContact O-N 3.39Å; T206-Y212 HydrophobicContact CG2-CD2 4.01Å; T206-Y212 HydrophobicContact CG2-CE2 3.73Å; E210-Y212 HydrophobicContact CB-CD2 4.45Å; E210-Y212 HydrophobicContact CB-CE2 3.8Å; E210-Y212 PolarHBondContact OE2-OH 3.45Å; Y212-F220 HydrophobicContact CD1-CD2 4.06Å; Y212-F220 AromaticContact CD1-CE2 3.56Å; Y212-F220 HydrophobicContact CD1-CE2 3.56Å; Y212-F220 HydrophobicContact CD1-CZ 4.43Å; Y212-F220 HydrophobicContact CE1-CE2 4.44Å; Y212-F220 HydrophobicContact CG-CE2 4.3Å; Y212-K223 HydrophobicContact CD1-CG 4.26Å; Y212-K223 HydrophobicContact CE1-CD 4.34Å; Y212-K223 HydrophobicContact CE1-CG 4.38Å; Y212-K223 VanDerWaalsContact OH-CE 3.25Å; Y212-K223 WeakPolarHBondContact OH-CE 3.28Å; Y212-K223 PolarHBondContact OH-NZ 2.97Å
213	V	95.2	Very high	91.5	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	122.4	177	-174.3	0	0	0	0	107.8	L201 L203 Q221 S222 I224 E274	L201-V213 HydrophobicContact CB-CG1 4.24Å; L201-V213 HydrophobicContact CD1-CG1 4.06Å; L201-V213 HydrophobicContact CD2-CG1 3.97Å; L201-V213 HydrophobicContact CG-CG1 4.32Å; L203-V213 HydrophobicContact CD2-CB 4.25Å; L203-V213 HydrophobicContact CD2-CG1 4.1Å; L203-V213 HydrophobicContact CD2-CG2 3.73Å; V213-Q221 HydrophobicContact CB-CB 4.4Å; V213-Q221 HydrophobicContact CG1-CB 4.18Å; V213-Q221 PolarHBondContact O-N 3.37Å; V213-S222 WeakPolarHBondContact CB-O 3.25Å; V213-S222 PolarHBondContact N-O 3.07Å; V213-S222 PolarHBondContact O-N 2.98Å; V213-I224 HydrophobicContact CG2-CD1 4.27Å; V213-I224 HydrophobicContact CG2-CG1 3.69Å; V213-E274 HydrophobicContact CG2-CB 4.37Å
214	Y	95.6	Very high	91.1	Very high	18 Å²	18	40.2 Å²	40.2	7%	0.071	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	151.4	171.1	-73.9	-102.5	0	0	0	109.5	L186 L201 I202 L204 G218 N219 F220	L186-Y214 HydrophobicContact CD1-CE2 4.25Å; L201-Y214 CarbonylContact C-O 3.59Å; L201-Y214 VanDerWaalsContact CA-O 3.25Å; L201-Y214 WeakPolarHBondContact CA-O 3.29Å; I202-Y214 PolarHBondContact N-O 3.29Å; I202-Y214 PolarHBondContact O-N 3.02Å; L204-Y214 HydrophobicContact CD1-CD2 3.6Å; L204-Y214 HydrophobicContact CD1-CE2 3.6Å; L204-Y214 HydrophobicContact CD1-CG 4.46Å; L204-Y214 HydrophobicContact CG-CD2 4.28Å; Y214-G218 WeakPolarHBondContact CD1-O 3.41Å; Y214-N219 CarbonylContact C-O 3.54Å; Y214-N219 VanDerWaalsContact CA-O 3.25Å; Y214-N219 WeakPolarHBondContact CA-O 3.42Å; Y214-F220 HydrophobicContact CD1-CB 4.18Å; Y214-F220 HydrophobicContact CE1-CB 3.78Å; Y214-F220 HydrophobicContact CE2-CD2 4.09Å
215	D	93.7	Very high	90	Very high	25 Å²	25	48.7 Å²	48.7	13%	0.134	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	170.8	164.1	65.1	29.4	0	0	0	111.2	S217 G218 N219 Q221	D215-S217 PolarHBondContact O-N 2.89Å; D215-S217 WeakPolarHBondContact OD1-CA 3.42Å; D215-S217 WeakPolarHBondContact OD1-CB 3.45Å; D215-S217 PolarHBondContact OD1-N 3.33Å; D215-G218 PolarHBondContact O-N 3.25Å; D215-G218 VanDerWaalsContact O-N 3.09Å; D215-G218 PolarHBondContact OD1-N 3Å; D215-N219 PolarHBondContact N-O 3.48Å; D215-N219 PolarHBondContact OD1-N 3.42Å; D215-N219 PolarHBondContact OD1-ND2 3.13Å; D215-N219 VanDerWaalsContact OD2-CB 3.29Å; D215-N219 WeakPolarHBondContact OD2-CB 3.31Å; D215-N219 PolarHBondContact OD2-ND2 3.31Å; D215-Q221 HydrophobicContact CB-CG 4.07Å; D215-Q221 PolarHBondContact OD2-NE2 3.42Å
216	S	89.8	Confident	88.9	Confident	35 Å²	35	49 Å²	49	25%	0.245	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-15.4	179.1	63.5	0	0	0	0	114.4	W182 D199 K200	W182-S216 PolarHBondContact NE1-O 3.28Å; D199-S216 VanDerWaalsContact O-CB 3.24Å; D199-S216 WeakPolarHBondContact O-CB 3.49Å; K200-S216 PolarHBondContact O-N 3.25Å; K200-S216 VanDerWaalsContact O-N 3.11Å
217	S	91.8	Very high	87.5	Confident	83 Å²	83	51.1 Å²	51.1	58%	0.58	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-6.1	175.6	-60.7	0	0	0	0	113.4	D215	D215-S217 PolarHBondContact O-N 2.89Å; D215-S217 WeakPolarHBondContact OD1-CA 3.42Å; D215-S217 WeakPolarHBondContact OD1-CB 3.45Å; D215-S217 PolarHBondContact OD1-N 3.33Å
218	G	90.9	Very high	86.1	Confident	17 Å²	17	49.1 Å²	49.1	18%	0.175	26%	0.263	C	S	.	.	S	Bend	trans	91.2	11.8	178	0	0	0	0	0	114.7	W182 Y214 D215	W182-G218 VanDerWaalsContact CZ2-CA 3.47Å; Y214-G218 WeakPolarHBondContact CD1-O 3.41Å; D215-G218 PolarHBondContact O-N 3.25Å; D215-G218 VanDerWaalsContact O-N 3.09Å; D215-G218 PolarHBondContact OD1-N 3Å
219	N	94.1	Very high	84.6	Confident	96 Å²	96	49.2 Å²	49.2	51%	0.513	27%	0.267	S	S	.	.			trans	-84.7	135.5	172.2	-46.1	-65.2	0	0	0	110.4	Y214 D215 Q221	Y214-N219 CarbonylContact C-O 3.54Å; Y214-N219 VanDerWaalsContact CA-O 3.25Å; Y214-N219 WeakPolarHBondContact CA-O 3.42Å; D215-N219 PolarHBondContact N-O 3.48Å; D215-N219 PolarHBondContact OD1-N 3.42Å; D215-N219 PolarHBondContact OD1-ND2 3.13Å; D215-N219 VanDerWaalsContact OD2-CB 3.29Å; D215-N219 WeakPolarHBondContact OD2-CB 3.31Å; D215-N219 PolarHBondContact OD2-ND2 3.31Å; N219-Q221 PolarHBondContact O-N 3.18Å
220	F	94	Very high	83.1	Confident	102 Å²	102	55.1 Å²	55.1	45%	0.447	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	128.4	172.6	172.7	-101.4	0	0	0	110.4	Y212 Y214 S222 K223	Y212-F220 HydrophobicContact CD1-CD2 4.06Å; Y212-F220 AromaticContact CD1-CE2 3.56Å; Y212-F220 HydrophobicContact CD1-CE2 3.56Å; Y212-F220 HydrophobicContact CD1-CZ 4.43Å; Y212-F220 HydrophobicContact CE1-CE2 4.44Å; Y212-F220 HydrophobicContact CG-CE2 4.3Å; Y214-F220 HydrophobicContact CD1-CB 4.18Å; Y214-F220 HydrophobicContact CE1-CB 3.78Å; Y214-F220 HydrophobicContact CE2-CD2 4.09Å; F220-S222 WeakPolarHBondContact CE2-O 3.49Å; F220-S222 VanDerWaalsContact CZ-C 3.46Å; F220-S222 WeakPolarHBondContact CZ-O 3.39Å; F220-K223 HydrophobicContact CE2-CG 4.24Å; F220-K223 HydrophobicContact CZ-CG 4.03Å
221	Q	92.9	Very high	81.2	Confident	106 Å²	106	58 Å²	58	50%	0.495	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	-55.7	-177.3	-68.1	-69.2	-26.7	0	0	111.5	V213 D215 N219	V213-Q221 HydrophobicContact CB-CB 4.4Å; V213-Q221 HydrophobicContact CG1-CB 4.18Å; V213-Q221 PolarHBondContact O-N 3.37Å; D215-Q221 HydrophobicContact CB-CG 4.07Å; D215-Q221 PolarHBondContact OD2-NE2 3.42Å; N219-Q221 PolarHBondContact O-N 3.18Å
222	S	92.8	Very high	79.2	Confident	48 Å²	48	67 Å²	67	34%	0.336	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	176.6	-177	66.8	0	0	0	0	112.3	V213 F220	V213-S222 WeakPolarHBondContact CB-O 3.25Å; V213-S222 PolarHBondContact N-O 3.07Å; V213-S222 PolarHBondContact O-N 2.98Å; F220-S222 WeakPolarHBondContact CE2-O 3.49Å; F220-S222 VanDerWaalsContact CZ-C 3.46Å; F220-S222 WeakPolarHBondContact CZ-O 3.39Å
223	K	89.7	Confident	77.3	Confident	93 Å²	93	69.3 Å²	69.3	40%	0.404	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	136.2	165.5	-71.5	-178.3	173.1	-168	0	109.3	E210 I211 Y212 F220 K225	E210-K223 IonicContact OE1-NZ 2.71Å; E210-K223 PolarHBondContact OE1-NZ 3.13Å; E210-K223 IonicContact OE2-NZ 3.16Å; E210-K223 PolarHBondContact OE2-NZ 3.44Å; I211-K223 VanDerWaalsContact O-CA 3.29Å; I211-K223 WeakPolarHBondContact O-CA 3.48Å; Y212-K223 HydrophobicContact CD1-CG 4.26Å; Y212-K223 HydrophobicContact CE1-CD 4.34Å; Y212-K223 HydrophobicContact CE1-CG 4.38Å; Y212-K223 VanDerWaalsContact OH-CE 3.25Å; Y212-K223 WeakPolarHBondContact OH-CE 3.28Å; Y212-K223 PolarHBondContact OH-NZ 2.97Å; F220-K223 HydrophobicContact CE2-CG 4.24Å; F220-K223 HydrophobicContact CZ-CG 4.03Å; K223-K225 PolarHBondContact O-N 2.95Å
224	I	88.1	Confident	75.3	Confident	10 Å²	10	77.7 Å²	77.7	5%	0.051	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	126.4	170.2	-56.8	-177	0	0	0	107.8	L203 I211 V213 V226 L259 I261 L271 E274	L203-I224 HydrophobicContact CD1-CD1 4.13Å; L203-I224 HydrophobicContact CD2-CD1 3.99Å; I211-I224 HydrophobicContact CB-CB 4.26Å; I211-I224 HydrophobicContact CB-CD1 4.46Å; I211-I224 HydrophobicContact CB-CG1 4.45Å; I211-I224 HydrophobicContact CG2-CD1 3.94Å; I211-I224 HydrophobicContact CG2-CG1 4.26Å; I211-I224 PolarHBondContact O-N 3.49Å; V213-I224 HydrophobicContact CG2-CD1 4.27Å; V213-I224 HydrophobicContact CG2-CG1 3.69Å; I224-V226 PolarHBondContact O-N 3.17Å; I224-L259 HydrophobicContact CD1-CD2 4.25Å; I224-I261 HydrophobicContact CG2-CD1 4.34Å; I224-L271 HydrophobicContact CG2-CD2 4.22Å; I224-E274 HydrophobicContact CD1-CB 3.89Å; I224-E274 HydrophobicContact CG1-CB 4.14Å
225	K	72.1	Confident	73.7	Confident	178 Å²	178	84 Å²	84	77%	0.774	44%	0.444	S	S	*	.			trans	-73.7	110.6	173.8	-70.3	-174.6	-178.5	-178.4	0	108.3	K223 P227	K223-K225 PolarHBondContact O-N 2.95Å; K225-P227 VanDerWaalsContact O-CD 3.26Å; K225-P227 WeakPolarHBondContact O-CD 3.26Å
226	V	69.9	Low	72.7	Confident	6 Å²	6	84.2 Å²	84.2	4%	0.036	44%	0.444	C	S	.	.			trans	-98.5	110	175.4	179.5	0	0	0	0	108.8	I211 I224 V228 A229 I261 Y263 Q269	I211-V226 HydrophobicContact CD1-CG2 4.26Å; I224-V226 PolarHBondContact O-N 3.17Å; V226-V228 HydrophobicContact CG1-CB 3.98Å; V226-V228 PolarHBondContact O-N 2.86Å; V226-V228 VanDerWaalsContact O-N 3.14Å; V226-A229 HydrophobicContact CB-CB 4.22Å; V226-A229 HydrophobicContact CG1-CB 4.44Å; V226-A229 WeakPolarHBondContact O-CB 3.36Å; V226-A229 PolarHBondContact O-N 3.5Å; V226-I261 HydrophobicContact CG2-CD1 4.45Å; V226-Y263 HydrophobicContact CG1-CE2 4.09Å; V226-Y263 WeakPolarHBondContact CG1-OH 3.19Å; V226-Q269 VanDerWaalsContact CG1-OE1 3.27Å
227	P	61.5	Low	72.5	Confident	45 Å²	45	87.6 Å²	87.6	29%	0.292	46%	0.457	S	S	.	.	H	α-helix	trans	-53.7	-31.5	175.4	-29.2	31.5	0	0	0	115	K225 A229 L230 N231 Q269 P279	K225-P227 VanDerWaalsContact O-CD 3.26Å; K225-P227 WeakPolarHBondContact O-CD 3.26Å; P227-A229 VanDerWaalsContact C-N 3.29Å; P227-A229 PolarHBondContact O-N 3.45Å; P227-L230 WeakPolarHBondContact O-CB 3.47Å; P227-L230 PolarHBondContact O-N 3.46Å; P227-N231 PolarHBondContact O-N 2.76Å; P227-Q269 VanDerWaalsContact CD-NE2 3.34Å; P227-P279 HydrophobicContact CG-CG 3.81Å
228	V	57.6	Low	72.4	Confident	17 Å²	17	83.9 Å²	83.9	10%	0.103	43%	0.43	C	S	.	.	H	α-helix	trans	-66.6	-30.6	178.2	172.6	0	0	0	0	111.7	V226 L230 Q236 Y263 Y267 Q269	V226-V228 HydrophobicContact CG1-CB 3.98Å; V226-V228 PolarHBondContact O-N 2.86Å; V226-V228 VanDerWaalsContact O-N 3.14Å; V228-L230 VanDerWaalsContact C-N 3.26Å; V228-L230 PolarHBondContact O-N 2.89Å; V228-Q236 HydrophobicContact CG1-CB 4.41Å; V228-Q236 HydrophobicContact CG1-CG 4.22Å; V228-Y263 HydrophobicContact CB-CE2 4.33Å; V228-Y263 HydrophobicContact CG1-CD2 4.37Å; V228-Y263 HydrophobicContact CG1-CE2 4.39Å; V228-Y267 HydrophobicContact CG2-CD1 4.49Å; V228-Q269 HydrophobicContact CG2-CG 4.34Å; V228-Q269 VanDerWaalsContact CG2-NE2 3.3Å
229	A	50.6	Low	72.4	Confident	64 Å²	64	84.7 Å²	84.7	53%	0.529	43%	0.432	S	S	.	.	H	α-helix	trans	-74.8	-15.8	172.4	0	0	0	0	0	112.9	V226 P227	V226-A229 HydrophobicContact CB-CB 4.22Å; V226-A229 HydrophobicContact CG1-CB 4.44Å; V226-A229 WeakPolarHBondContact O-CB 3.36Å; V226-A229 PolarHBondContact O-N 3.5Å; P227-A229 VanDerWaalsContact C-N 3.29Å; P227-A229 PolarHBondContact O-N 3.45Å
230	L	49.9	Very low	72.3	Confident	126 Å²	126	80.7 Å²	80.7	66%	0.66	41%	0.411	S	S	*	.	H	α-helix	trans	-95	-20.6	-176.6	-67.8	166	0	0	0	113.6	P227 V228	P227-L230 WeakPolarHBondContact O-CB 3.47Å; P227-L230 PolarHBondContact O-N 3.46Å; V228-L230 VanDerWaalsContact C-N 3.26Å; V228-L230 PolarHBondContact O-N 2.89Å
231	N	49	Very low	72.4	Confident	123 Å²	123	76 Å²	76	66%	0.658	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	45.7	-168.8	-79.3	-7.7	0	0	0	115.4	P227 L233	P227-N231 PolarHBondContact O-N 2.76Å; N231-L233 PolarHBondContact O-N 3.26Å
232	Q	50	Low	72.5	Confident	189 Å²	189	71.5 Å²	71.5	88%	0.883	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	20.4	163.6	-63.5	-173.4	-14	0	0	117.4	E234	Q232-E234 PolarHBondContact O-N 2.95Å; Q232-E234 VanDerWaalsContact O-N 3.07Å
233	L	53.9	Low	72.5	Confident	73 Å²	73	70.5 Å²	70.5	38%	0.382	36%	0.359	S	S	.	.			trans	-82.6	78.3	162.7	-73	160.7	0	0	0	107.7	N231 N235 Q236 Y267	N231-L233 PolarHBondContact O-N 3.26Å; L233-N235 PolarHBondContact O-N 3.01Å; L233-Q236 HydrophobicContact CB-CG 3.91Å; L233-Y267 HydrophobicContact CD1-CD1 4.45Å; L233-Y267 HydrophobicContact CD1-CE1 3.67Å; L233-Y267 HydrophobicContact CD1-CE2 3.97Å; L233-Y267 WeakPolarHBondContact CD1-OH 3.42Å
234	E	54.2	Low	72.4	Confident	177 Å²	177	66.2 Å²	66.2	83%	0.827	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	133	172.9	-68.5	-176.7	166.3	0	0	109.5	Q232	Q232-E234 PolarHBondContact O-N 2.95Å; Q232-E234 VanDerWaalsContact O-N 3.07Å
235	N	61.7	Low	71.8	Confident	150 Å²	150	69.8 Å²	69.8	80%	0.802	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	28.7	176.4	-55.4	-35.9	0	0	0	119	L233 Q237	L233-N235 PolarHBondContact O-N 3.01Å; N235-Q237 PolarHBondContact O-N 2.91Å
236	Q	72.7	Confident	71.4	Confident	30 Å²	30	62.3 Å²	62.3	14%	0.14	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-76.7	118.7	165.5	-66	-60	-32.6	0	0	111.5	V228 L233 Y263 Q265 Y267	V228-Q236 HydrophobicContact CG1-CB 4.41Å; V228-Q236 HydrophobicContact CG1-CG 4.22Å; L233-Q236 HydrophobicContact CB-CG 3.91Å; Q236-Y263 HydrophobicContact CB-CD1 4.14Å; Q236-Q265 VanDerWaalsContact OE1-CB 3.27Å; Q236-Y267 HydrophobicContact CG-CD2 4.42Å
237	Q	84.7	Confident	70.7	Confident	107 Å²	107	67.5 Å²	67.5	50%	0.5	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-93.3	130.2	175.8	-64.7	-173	-6.1	0	0	110.6	N235 Y263 Q264	N235-Q237 PolarHBondContact O-N 2.91Å; Q237-Y263 CarbonylContact O-C 3.53Å; Q237-Y263 WeakPolarHBondContact O-CA 3.48Å; Q237-Q264 HydrophobicContact CB-CB 4.31Å; Q237-Q264 PolarHBondContact O-N 3.32Å
238	L	90.6	Very high	70.4	Confident	5 Å²	5	68 Å²	68	3%	0.026	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	133.5	171.4	-177.6	71.2	0	0	0	109.6	V191 A192 G205 I241 I261 Y263	V191-L238 WeakPolarHBondContact CG1-O 3.47Å; A192-L238 HydrophobicContact CB-CD2 4.38Å; G205-L238 VanDerWaalsContact CA-CD2 3.4Å; L238-I241 HydrophobicContact CD1-CG1 4.38Å; L238-I241 HydrophobicContact CD2-CD1 4.07Å; L238-I241 HydrophobicContact CD2-CG1 4.11Å; L238-I261 HydrophobicContact CD1-CG2 3.55Å; L238-Y263 HydrophobicContact CB-CD1 4.44Å; L238-Y263 HydrophobicContact CB-CE1 4.26Å; L238-Y263 HydrophobicContact CD1-CD1 4.46Å; L238-Y263 HydrophobicContact CD1-CE1 4.04Å
239	V	90.9	Very high	70.5	Confident	34 Å²	34	73.7 Å²	73.7	21%	0.206	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	-52.4	177.5	171.2	0	0	0	0	110.9	V262 Q264 V288 I289	V239-V262 PolarHBondContact N-O 2.9Å; V239-Q264 VanDerWaalsContact CG2-CA 3.42Å; V239-Q264 HydrophobicContact CG2-CB 3.67Å; V239-Q264 HydrophobicContact CG2-CG 4.16Å; V239-V288 HydrophobicContact CG1-CG1 4.29Å; V239-I289 WeakPolarHBondContact CG1-O 3.4Å
240	C	92.1	Very high	71	Confident	11 Å²	11	75.9 Å²	75.9	7%	0.074	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	156.6	-179.4	63.2	0	0	0	0	112.4	V262 A291	C240-V262 PolarHBondContact N-O 3.2Å; C240-V262 PolarHBondContact O-N 2.98Å; C240-A291 PolarHBondContact SG-N 3.14Å
241	I	95	Very high	71.9	Confident	3 Å²	3	75.5 Å²	75.5	2%	0.015	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	131.7	165.3	-55.8	168.1	0	0	0	105	A192 E194 L203 I211 L238 L259 A260	A192-I241 HydrophobicContact CB-CB 4.4Å; A192-I241 HydrophobicContact CB-CD1 4.14Å; A192-I241 HydrophobicContact CB-CG1 4.06Å; E194-I241 HydrophobicContact CB-CB 4.14Å; E194-I241 HydrophobicContact CB-CG2 3.87Å; E194-I241 HydrophobicContact CG-CG2 4.3Å; L203-I241 HydrophobicContact CB-CD1 4.39Å; L203-I241 HydrophobicContact CB-CG2 4.47Å; L203-I241 HydrophobicContact CD1-CG2 3.94Å; I211-I241 HydrophobicContact CD1-CD1 3.79Å; I211-I241 HydrophobicContact CD1-CG1 4.15Å; I211-I241 HydrophobicContact CG1-CD1 3.96Å; I211-I241 HydrophobicContact CG2-CD1 3.85Å; L238-I241 HydrophobicContact CD1-CG1 4.38Å; L238-I241 HydrophobicContact CD2-CD1 4.07Å; L238-I241 HydrophobicContact CD2-CG1 4.11Å; I241-L259 HydrophobicContact CG2-CD1 3.84Å; I241-A260 WeakPolarHBondContact CA-O 3.5Å
242	D	95	Very high	72.6	Confident	12 Å²	12	70.7 Å²	70.7	6%	0.064	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	129.2	178.2	-153.4	66.5	0	0	0	109.3	K154 A260 K292 W293	K154-D242 IonicContact NZ-OD1 3.85Å; D242-A260 PolarHBondContact N-O 2.93Å; D242-A260 PolarHBondContact O-N 3.36Å; D242-K292 WeakPolarHBondContact OD1-CD 3.39Å; D242-K292 IonicContact OD1-NZ 3.57Å; D242-K292 PolarHBondContact OD1-NZ 3.07Å; D242-K292 WeakPolarHBondContact OD2-CA 2.97Å; D242-W293 PolarHBondContact O-NE1 3.03Å; D242-W293 PolarHBondContact OD2-N 3.13Å
243	W	92.8	Very high	73.3	Confident	28 Å²	28	67.5 Å²	67.5	11%	0.106	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	113.4	-177.1	-153.9	-36.1	0	0	0	109.7	E194 P197 L203 C258 L259 N273	E194-W243 HydrophobicContact CG-CB 4Å; E194-W243 PolarHBondContact OE1-N 3.32Å; P197-W243 HydrophobicContact CG-CD2 4.34Å; P197-W243 HydrophobicContact CG-CG 3.94Å; L203-W243 HydrophobicContact CD1-CE3 3.74Å; L203-W243 HydrophobicContact CD1-CZ3 3.68Å; L203-W243 HydrophobicContact CD2-CZ3 4.46Å; L203-W243 HydrophobicContact CG-CE3 4.4Å; L203-W243 HydrophobicContact CG-CZ3 4.13Å; W243-C258 PolarHBondContact NE1-SG 2.95Å; W243-L259 HydrophobicContact CB-CD1 4.21Å; W243-L259 HydrophobicContact CD2-CB 4.35Å; W243-L259 HydrophobicContact CD2-CD1 3.93Å; W243-L259 HydrophobicContact CE3-CD1 3.91Å; W243-L259 HydrophobicContact CE3-CD2 4.5Å; W243-L259 HydrophobicContact CG-CB 4.45Å; W243-L259 HydrophobicContact CG-CD1 4.09Å; W243-L259 HydrophobicContact CZ3-CD2 4.43Å; W243-N273 HydrophobicContact CZ2-CB 4.24Å
244	G	87.1	Confident	73.9	Confident	3 Å²	3	68.4 Å²	68.4	3%	0.031	37%	0.371	C	S	.	.			trans	-72.8	145.4	176.1	0	0	0	0	0	112.2	S246 C258	G244-S246 PolarHBondContact O-N 3.15Å; G244-C258 PolarHBondContact N-O 2.87Å
245	N	77.1	Confident	74.9	Confident	84 Å²	84	64 Å²	64	45%	0.449	35%	0.347	S	S	.	.			trans	-80.1	65.6	174.2	-68.1	-31.7	0	0	0	110.6
246	S	62.8	Low	75.8	Confident	21 Å²	21	58.2 Å²	58.2	15%	0.147	32%	0.318	C	S	.	.			trans	-74.9	133.2	170.3	63.3	0	0	0	0	109.5	G244 H248 C258	G244-S246 PolarHBondContact O-N 3.15Å; S246-H248 PolarHBondContact O-N 3.35Å; S246-H248 VanDerWaalsContact O-N 3.13Å; S246-C258 WeakPolarHBondContact OG-CB 3.46Å; S246-C258 PolarHBondContact OG-SG 2.92Å
247	T	54.8	Low	76.3	Confident	115 Å²	115	58.1 Å²	58.1	71%	0.706	32%	0.316	S	S	*	.	S	Bend	trans	-76.8	11.8	175.9	49.2	0	0	0	0	113
248	H	56.3	Low	76.6	Confident	55 Å²	55	53.3 Å²	53.3	26%	0.255	29%	0.294	S	S	.	.			trans	-115	101.7	-171.3	-57.7	-55.7	0	0	0	109.3	Y5 S246 F250	Y5-H248 PolarHBondContact OH-CE1 2.87Å; S246-H248 PolarHBondContact O-N 3.35Å; S246-H248 VanDerWaalsContact O-N 3.13Å; H248-F250 HydrophobicContact CB-CD2 4.33Å; H248-F250 PolarHBondContact O-N 3.49Å
249	D	59	Low	76.7	Confident	138 Å²	138	53.1 Å²	53.1	74%	0.738	29%	0.293	S	S	*	.			trans	-77.1	15.4	167	-71.1	-30.8	0	0	0	112
250	F	62	Low	76.8	Confident	109 Å²	109	51.5 Å²	51.5	48%	0.478	28%	0.283	S	S	.	.			trans	-95.2	136.8	-174.7	-60.5	-72.3	0	0	0	111.4	H248 Y255	H248-F250 HydrophobicContact CB-CD2 4.33Å; H248-F250 PolarHBondContact O-N 3.49Å; F250-Y255 HydrophobicContact CB-CD1 3.7Å; F250-Y255 HydrophobicContact CB-CD2 3.86Å; F250-Y255 HydrophobicContact CB-CE1 3.57Å; F250-Y255 HydrophobicContact CB-CE2 3.75Å; F250-Y255 HydrophobicContact CB-CG 3.84Å; F250-Y255 HydrophobicContact CD2-CE1 4.07Å; F250-Y255 AromaticContact CG-CE1 3.99Å; F250-Y255 HydrophobicContact CG-CE1 3.99Å
251	E	67.7	Low	76.8	Confident	118 Å²	118	51 Å²	51	55%	0.551	28%	0.28	S	S	*	.			trans	-104.2	142.9	175.2	-63.2	-179.5	178.6	0	0	110.3	F272 N273	E251-F272 HydrophobicContact CB-CD2 4.49Å; E251-F272 HydrophobicContact CG-CB 4.23Å; E251-F272 HydrophobicContact CG-CD2 4.46Å; E251-F272 HydrophobicContact CG-CG 4.3Å; E251-N273 PolarHBondContact OE1-ND2 3.33Å
252	G	63.4	Low	76.7	Confident	22 Å²	22	50.9 Å²	50.9	23%	0.227	28%	0.28	C	S	.	.	S	Bend	trans	148.2	165.1	174.5	0	0	0	0	0	113.3	S254 Y255 F272	G252-S254 PolarHBondContact O-N 2.96Å; G252-S254 VanDerWaalsContact O-N 3.12Å; G252-Y255 PolarHBondContact O-N 3.37Å; G252-F272 WeakPolarHBondContact O-CZ 3.4Å
253	P	65	Low	76.5	Confident	122 Å²	122	50.5 Å²	50.5	79%	0.792	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-23.4	-176.1	25.6	-34.1	0	0	0	113.6	Y255	P253-Y255 VanDerWaalsContact C-N 3.34Å
254	S	67.4	Low	76.3	Confident	93 Å²	93	51.6 Å²	51.6	65%	0.65	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-2.4	178.5	-52.8	0	0	0	0	114.1	G252 Y323	G252-S254 PolarHBondContact O-N 2.96Å; G252-S254 VanDerWaalsContact O-N 3.12Å; S254-Y323 PolarHBondContact O-OH 2.83Å
255	Y	74	Confident	76.3	Confident	85 Å²	85	55.9 Å²	55.9	33%	0.333	30%	0.303	S	S	.	.	S	Bend	trans	-109.9	143.9	-178.7	-62.4	-75.5	0	0	0	110.9	F250 G252 P253 F272	F250-Y255 HydrophobicContact CB-CD1 3.7Å; F250-Y255 HydrophobicContact CB-CD2 3.86Å; F250-Y255 HydrophobicContact CB-CE1 3.57Å; F250-Y255 HydrophobicContact CB-CE2 3.75Å; F250-Y255 HydrophobicContact CB-CG 3.84Å; F250-Y255 HydrophobicContact CD2-CE1 4.07Å; F250-Y255 AromaticContact CG-CE1 3.99Å; F250-Y255 HydrophobicContact CG-CE1 3.99Å; G252-Y255 PolarHBondContact O-N 3.37Å; P253-Y255 VanDerWaalsContact C-N 3.34Å; Y255-F272 VanDerWaalsContact O-CE1 3.24Å; Y255-F272 WeakPolarHBondContact O-CE1 3.21Å
256	P	80.8	Confident	76.7	Confident	28 Å²	28	51.9 Å²	51.9	18%	0.182	28%	0.281	C	S	.	.			trans	-75.5	147.1	177	30.8	-33.7	0	0	0	111	Y323	P256-Y323 HydrophobicContact CB-CE1 4.44Å; P256-Y323 HydrophobicContact CB-CE2 4.42Å
257	R	84.6	Confident	77.8	Confident	28 Å²	28	53.2 Å²	53.2	11%	0.106	28%	0.283	C	S	.	.			trans	-88.3	138.5	173.1	-67.7	-174.6	176.1	70.6	-10.3	110.2	L270 L271 F272 D276 H278 W293 G322	R257-L270 HydrophobicContact CB-CB 3.76Å; R257-L270 WeakPolarHBondContact CD-O 3.45Å; R257-L271 CarbonylContact C-O 3.57Å; R257-L271 WeakPolarHBondContact CB-O 3.37Å; R257-F272 HydrophobicContact CG-CD1 3.87Å; R257-F272 HydrophobicContact CG-CD2 4.22Å; R257-F272 HydrophobicContact CG-CE1 3.69Å; R257-F272 HydrophobicContact CG-CE2 4.06Å; R257-F272 HydrophobicContact CG-CG 4.11Å; R257-F272 HydrophobicContact CG-CZ 3.77Å; R257-D276 IonicContact NE-OD2 3.89Å; R257-H278 PolarHBondContact NH2-O 2.94Å; R257-W293 WeakPolarHBondContact O-CH2 3.08Å; R257-G322 WeakPolarHBondContact CB-O 2.93Å; R257-G322 PolarHBondContact N-O 3.32Å
258	C	89.8	Confident	79.5	Confident	6 Å²	6	47.9 Å²	47.9	4%	0.041	25%	0.251	C	S	.	.			trans	-120	-12.8	-171.8	64.4	0	0	0	0	114.6	W243 G244 S246 L271 F272 W293	W243-C258 PolarHBondContact NE1-SG 2.95Å; G244-C258 PolarHBondContact N-O 2.87Å; S246-C258 WeakPolarHBondContact OG-CB 3.46Å; S246-C258 PolarHBondContact OG-SG 2.92Å; C258-L271 PolarHBondContact N-O 3.47Å; C258-F272 PolarHBondContact SG-O 3Å; C258-W293 PolarHBondContact O-NE1 3.27Å
259	L	92.5	Very high	81	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	116.3	173.9	174	61	0	0	0	109.4	L203 I224 I241 W243 L270 L271	L203-L259 HydrophobicContact CD1-CD1 3.79Å; L203-L259 HydrophobicContact CD1-CD2 4.06Å; I224-L259 HydrophobicContact CD1-CD2 4.25Å; I241-L259 HydrophobicContact CG2-CD1 3.84Å; W243-L259 HydrophobicContact CB-CD1 4.21Å; W243-L259 HydrophobicContact CD2-CB 4.35Å; W243-L259 HydrophobicContact CD2-CD1 3.93Å; W243-L259 HydrophobicContact CE3-CD1 3.91Å; W243-L259 HydrophobicContact CE3-CD2 4.5Å; W243-L259 HydrophobicContact CG-CB 4.45Å; W243-L259 HydrophobicContact CG-CD1 4.09Å; W243-L259 HydrophobicContact CZ3-CD2 4.43Å; L259-L270 CarbonylContact O-C 3.47Å; L259-L270 WeakPolarHBondContact O-CA 3.49Å; L259-L271 HydrophobicContact CB-CB 4.13Å; L259-L271 HydrophobicContact CD2-CB 4.3Å; L259-L271 HydrophobicContact CG-CB 4.4Å; L259-L271 HydrophobicContact CG-CD1 4.4Å; L259-L271 PolarHBondContact N-O 2.89Å; L259-L271 PolarHBondContact O-N 2.9Å
260	A	93.6	Very high	82.5	Confident	1 Å²	1	39 Å²	39	1%	0.008	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	127.2	178.1	0	0	0	0	0	111.2	I241 D242 V262 Q269 L270 W293 L300	I241-A260 WeakPolarHBondContact CA-O 3.5Å; D242-A260 PolarHBondContact N-O 2.93Å; D242-A260 PolarHBondContact O-N 3.36Å; A260-V262 HydrophobicContact CB-CG2 4.44Å; A260-Q269 WeakPolarHBondContact CA-O 3.36Å; A260-L270 HydrophobicContact CB-CD2 3.81Å; A260-W293 HydrophobicContact CB-CZ2 4.17Å; A260-L300 HydrophobicContact CB-CD1 4.01Å; A260-L300 HydrophobicContact CB-CD2 3.79Å
261	I	93.1	Very high	83.9	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	119.3	171.2	-58.5	167.6	0	0	0	107.4	I211 I224 V226 L238 Y263 Q269 L271	I211-I261 HydrophobicContact CD1-CB 4.34Å; I211-I261 HydrophobicContact CD1-CD1 3.36Å; I211-I261 HydrophobicContact CD1-CG1 3.66Å; I211-I261 HydrophobicContact CD1-CG2 3.7Å; I224-I261 HydrophobicContact CG2-CD1 4.34Å; V226-I261 HydrophobicContact CG2-CD1 4.45Å; L238-I261 HydrophobicContact CD1-CG2 3.55Å; I261-Y263 HydrophobicContact CG2-CE2 3.66Å; I261-Y263 WeakPolarHBondContact CG2-OH 3.24Å; I261-Q269 HydrophobicContact CB-CB 4.28Å; I261-Q269 PolarHBondContact N-O 3.25Å; I261-Q269 PolarHBondContact O-N 2.79Å; I261-L271 HydrophobicContact CD1-CD1 3.49Å; I261-L271 VanDerWaalsContact CD1-CD1 3.49Å; I261-L271 HydrophobicContact CG1-CD1 3.95Å
262	V	92.1	Very high	84.8	Confident	1 Å²	1	29.3 Å²	29.3	1%	0.006	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	132.8	-170.7	-173.7	0	0	0	0	111.6	V239 C240 A260 L268 V288 A291	V239-V262 PolarHBondContact N-O 2.9Å; C240-V262 PolarHBondContact N-O 3.2Å; C240-V262 PolarHBondContact O-N 2.98Å; A260-V262 HydrophobicContact CB-CG2 4.44Å; V262-L268 HydrophobicContact CG1-CD2 4.09Å; V262-L268 HydrophobicContact CG1-CG 3.98Å; V262-L268 HydrophobicContact CG2-CD2 3.81Å; V262-L268 HydrophobicContact CG2-CG 4.16Å; V262-V288 HydrophobicContact CG1-CB 4.06Å; V262-V288 HydrophobicContact CG1-CG1 3.67Å; V262-V288 HydrophobicContact CG1-CG2 3.89Å; V262-A291 HydrophobicContact CB-CB 4.43Å; V262-A291 HydrophobicContact CG2-CB 3.82Å
263	Y	90.7	Very high	86	Confident	3 Å²	3	29.9 Å²	29.9	1%	0.012	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	156	-178.4	-62	-88.2	0	0	0	111.6	G209 V226 V228 Q236 Q237 L238 I261 Q265 G266 Y267 Q269	G209-Y263 PolarHBondContact O-OH 3.33Å; V226-Y263 HydrophobicContact CG1-CE2 4.09Å; V226-Y263 WeakPolarHBondContact CG1-OH 3.19Å; V228-Y263 HydrophobicContact CB-CE2 4.33Å; V228-Y263 HydrophobicContact CG1-CD2 4.37Å; V228-Y263 HydrophobicContact CG1-CE2 4.39Å; Q236-Y263 HydrophobicContact CB-CD1 4.14Å; Q237-Y263 CarbonylContact O-C 3.53Å; Q237-Y263 WeakPolarHBondContact O-CA 3.48Å; L238-Y263 HydrophobicContact CB-CD1 4.44Å; L238-Y263 HydrophobicContact CB-CE1 4.26Å; L238-Y263 HydrophobicContact CD1-CD1 4.46Å; L238-Y263 HydrophobicContact CD1-CE1 4.04Å; I261-Y263 HydrophobicContact CG2-CE2 3.66Å; I261-Y263 WeakPolarHBondContact CG2-OH 3.24Å; Y263-Q265 VanDerWaalsContact C-N 3.32Å; Y263-Q265 PolarHBondContact O-N 3.39Å; Y263-G266 PolarHBondContact O-N 3.06Å; Y263-G266 VanDerWaalsContact O-N 3.09Å; Y263-Y267 WeakPolarHBondContact CD2-O 3.39Å; Y263-Y267 PolarHBondContact N-O 3.5Å; Y263-Q269 HydrophobicContact CE2-CG 4.41Å
264	Q	88.6	Confident	87	Confident	52 Å²	52	25.7 Å²	25.7	24%	0.243	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-36.2	-170.5	-166.8	-179.8	25.6	0	0	113.6	Q237 V239 G266 Q287 V288	Q237-Q264 HydrophobicContact CB-CB 4.31Å; Q237-Q264 PolarHBondContact O-N 3.32Å; V239-Q264 VanDerWaalsContact CG2-CA 3.42Å; V239-Q264 HydrophobicContact CG2-CB 3.67Å; V239-Q264 HydrophobicContact CG2-CG 4.16Å; Q264-G266 PolarHBondContact O-N 3.14Å; Q264-Q287 HydrophobicContact CG-CG 4.1Å; Q264-Q287 CarbonylContact O-C 3.55Å; Q264-Q287 VanDerWaalsContact O-CA 3.24Å; Q264-Q287 WeakPolarHBondContact O-CA 3.37Å; Q264-V288 PolarHBondContact O-N 3.13Å
265	Q	86.3	Confident	87.9	Confident	93 Å²	93	28.6 Å²	28.6	44%	0.435	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	23.2	-179.9	-55.4	-65.6	-26.2	0	0	113.1	Q236 Y263 Y267 I286	Q236-Q265 VanDerWaalsContact OE1-CB 3.27Å; Y263-Q265 VanDerWaalsContact C-N 3.32Å; Y263-Q265 PolarHBondContact O-N 3.39Å; Q265-Y267 VanDerWaalsContact C-N 3.35Å; Q265-Y267 HydrophobicContact CB-CD2 4.21Å; Q265-Y267 HydrophobicContact CB-CE2 4.24Å; Q265-Y267 PolarHBondContact O-N 3.32Å; Q265-I286 CarbonylContact C-O 3.6Å
266	G	85.7	Confident	88.5	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	77.1	17.3	174.3	0	0	0	0	0	114.9	Y263 Q264 L268 N283 L284 I286	Y263-G266 PolarHBondContact O-N 3.06Å; Y263-G266 VanDerWaalsContact O-N 3.09Å; Q264-G266 PolarHBondContact O-N 3.14Å; G266-L268 WeakPolarHBondContact O-CD1 3.37Å; G266-N283 WeakPolarHBondContact O-CA 3.24Å; G266-L284 WeakPolarHBondContact CA-O 3.45Å; G266-L284 PolarHBondContact O-N 3.38Å; G266-I286 WeakPolarHBondContact CA-O 3.35Å; G266-I286 PolarHBondContact N-O 3.21Å; G266-I286 VanDerWaalsContact N-O 3.16Å
267	Y	87.5	Confident	88.6	Confident	48 Å²	48	32.7 Å²	32.7	19%	0.188	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	127.4	163.8	-65.7	-88.9	0	0	0	109.6	V228 L233 Q236 Y263 Q265 A282 N283	V228-Y267 HydrophobicContact CG2-CD1 4.49Å; L233-Y267 HydrophobicContact CD1-CD1 4.45Å; L233-Y267 HydrophobicContact CD1-CE1 3.67Å; L233-Y267 HydrophobicContact CD1-CE2 3.97Å; L233-Y267 WeakPolarHBondContact CD1-OH 3.42Å; Q236-Y267 HydrophobicContact CG-CD2 4.42Å; Y263-Y267 WeakPolarHBondContact CD2-O 3.39Å; Y263-Y267 PolarHBondContact N-O 3.5Å; Q265-Y267 VanDerWaalsContact C-N 3.35Å; Q265-Y267 HydrophobicContact CB-CD2 4.21Å; Q265-Y267 HydrophobicContact CB-CE2 4.24Å; Q265-Y267 PolarHBondContact O-N 3.32Å; Y267-A282 CarbonylContact C-O 3.59Å; Y267-A282 WeakPolarHBondContact CA-O 3.47Å; Y267-N283 HydrophobicContact CD1-CB 3.93Å; Y267-N283 HydrophobicContact CE1-CB 3.87Å; Y267-N283 WeakPolarHBondContact CE1-ND2 3.27Å; Y267-N283 VanDerWaalsContact CZ-ND2 3.3Å; Y267-N283 PolarHBondContact OH-ND2 3.04Å
268	L	88.7	Confident	88.5	Confident	4 Å²	4	38.3 Å²	38.3	2%	0.021	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	138.6	176.3	-59	96.2	0	0	0	109.3	V262 G266 T281 A282 L284 L300 V302 I320	V262-L268 HydrophobicContact CG1-CD2 4.09Å; V262-L268 HydrophobicContact CG1-CG 3.98Å; V262-L268 HydrophobicContact CG2-CD2 3.81Å; V262-L268 HydrophobicContact CG2-CG 4.16Å; G266-L268 WeakPolarHBondContact O-CD1 3.37Å; L268-T281 CarbonylContact O-C 3.53Å; L268-T281 VanDerWaalsContact O-CA 3.28Å; L268-T281 WeakPolarHBondContact O-CA 3.48Å; L268-A282 HydrophobicContact CB-CB 4.44Å; L268-A282 HydrophobicContact CD1-CB 4.45Å; L268-A282 PolarHBondContact N-O 3.37Å; L268-A282 PolarHBondContact O-N 2.98Å; L268-L284 HydrophobicContact CD1-CD1 3.81Å; L268-L284 HydrophobicContact CD1-CG 4.09Å; L268-L300 HydrophobicContact CD2-CD2 4.05Å; L268-V302 HydrophobicContact CD2-CG1 4.38Å; L268-V302 HydrophobicContact CD2-CG2 3.67Å; L268-I320 HydrophobicContact CD2-CD1 3.92Å
269	Q	89.6	Confident	88.3	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	124.3	166.2	-51.3	-163.4	-28.4	0	0	108.8	V226 P227 V228 A260 I261 Y263 L271 P279 L280 T281	V226-Q269 VanDerWaalsContact CG1-OE1 3.27Å; P227-Q269 VanDerWaalsContact CD-NE2 3.34Å; V228-Q269 HydrophobicContact CG2-CG 4.34Å; V228-Q269 VanDerWaalsContact CG2-NE2 3.3Å; A260-Q269 WeakPolarHBondContact CA-O 3.36Å; I261-Q269 HydrophobicContact CB-CB 4.28Å; I261-Q269 PolarHBondContact N-O 3.25Å; I261-Q269 PolarHBondContact O-N 2.79Å; Y263-Q269 HydrophobicContact CE2-CG 4.41Å; Q269-L271 HydrophobicContact CB-CD1 4.07Å; Q269-P279 HydrophobicContact CB-CB 4.46Å; Q269-L280 CarbonylContact C-O 3.55Å; Q269-L280 VanDerWaalsContact CA-O 3.3Å; Q269-L280 WeakPolarHBondContact CA-O 3.38Å; Q269-T281 HydrophobicContact CG-CG2 4.19Å
270	L	90.7	Very high	88	Confident	6 Å²	6	41.9 Å²	41.9	3%	0.031	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	134.9	168.8	-51.8	-179.4	0	0	0	107.5	R257 L259 A260 P279 L280 W293 L300	R257-L270 HydrophobicContact CB-CB 3.76Å; R257-L270 WeakPolarHBondContact CD-O 3.45Å; L259-L270 CarbonylContact O-C 3.47Å; L259-L270 WeakPolarHBondContact O-CA 3.49Å; A260-L270 HydrophobicContact CB-CD2 3.81Å; L270-P279 CarbonylContact O-C 3.52Å; L270-P279 VanDerWaalsContact O-CA 3.28Å; L270-P279 WeakPolarHBondContact O-CA 3.49Å; L270-L280 HydrophobicContact CB-CB 4.32Å; L270-L280 PolarHBondContact N-O 3.4Å; L270-L280 PolarHBondContact O-N 2.88Å; L270-W293 HydrophobicContact CD2-CZ2 4.04Å; L270-L300 HydrophobicContact CD2-CD2 3.97Å
271	L	90.8	Very high	87.7	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	152.9	-179.9	-59.9	95.9	0	0	0	110.4	I224 R257 C258 L259 I261 Q269 D276 P279	I224-L271 HydrophobicContact CG2-CD2 4.22Å; R257-L271 CarbonylContact C-O 3.57Å; R257-L271 WeakPolarHBondContact CB-O 3.37Å; C258-L271 PolarHBondContact N-O 3.47Å; L259-L271 HydrophobicContact CB-CB 4.13Å; L259-L271 HydrophobicContact CD2-CB 4.3Å; L259-L271 HydrophobicContact CG-CB 4.4Å; L259-L271 HydrophobicContact CG-CD1 4.4Å; L259-L271 PolarHBondContact N-O 2.89Å; L259-L271 PolarHBondContact O-N 2.9Å; I261-L271 HydrophobicContact CD1-CD1 3.49Å; I261-L271 VanDerWaalsContact CD1-CD1 3.49Å; I261-L271 HydrophobicContact CG1-CD1 3.95Å; Q269-L271 HydrophobicContact CB-CD1 4.07Å; L271-D276 WeakPolarHBondContact CA-OD2 3.16Å; L271-D276 HydrophobicContact CB-CB 4.06Å; L271-D276 HydrophobicContact CD2-CB 4.21Å; L271-P279 HydrophobicContact CD2-CB 4.19Å; L271-P279 HydrophobicContact CG-CB 3.9Å
272	F	87.1	Confident	87.1	Confident	23 Å²	23	47.6 Å²	47.6	10%	0.101	23%	0.232	C	C	.	.	S	Bend	trans	-67.6	-44.1	168.1	-66.9	-68.6	0	0	0	111.8	E251 G252 Y255 R257 C258 D276	E251-F272 HydrophobicContact CB-CD2 4.49Å; E251-F272 HydrophobicContact CG-CB 4.23Å; E251-F272 HydrophobicContact CG-CD2 4.46Å; E251-F272 HydrophobicContact CG-CG 4.3Å; G252-F272 WeakPolarHBondContact O-CZ 3.4Å; Y255-F272 VanDerWaalsContact O-CE1 3.24Å; Y255-F272 WeakPolarHBondContact O-CE1 3.21Å; R257-F272 HydrophobicContact CG-CD1 3.87Å; R257-F272 HydrophobicContact CG-CD2 4.22Å; R257-F272 HydrophobicContact CG-CE1 3.69Å; R257-F272 HydrophobicContact CG-CE2 4.06Å; R257-F272 HydrophobicContact CG-CG 4.11Å; R257-F272 HydrophobicContact CG-CZ 3.77Å; C258-F272 PolarHBondContact SG-O 3Å; F272-D276 HydrophobicContact CB-CB 4.33Å; F272-D276 VanDerWaalsContact CD2-OD2 3.27Å; F272-D276 WeakPolarHBondContact CD2-OD2 3.45Å; F272-D276 PolarHBondContact N-OD2 3.05Å
273	N	86.7	Confident	86.6	Confident	34 Å²	34	51.8 Å²	51.8	18%	0.182	25%	0.254	C	S	.	.	S	Bend	trans	-161.7	-174.3	-177.4	57.4	49.6	0	0	0	109.5	W243 E251 K275 D276	W243-N273 HydrophobicContact CZ2-CB 4.24Å; E251-N273 PolarHBondContact OE1-ND2 3.33Å; N273-K275 PolarHBondContact O-N 3.15Å; N273-K275 WeakPolarHBondContact OD1-CA 3.49Å; N273-K275 WeakPolarHBondContact OD1-CB 3.14Å; N273-K275 PolarHBondContact OD1-N 2.83Å; N273-D276 PolarHBondContact O-N 3.43Å; N273-D276 PolarHBondContact OD1-N 3.08Å
274	E	87.2	Confident	86.2	Confident	34 Å²	34	53.3 Å²	53.3	16%	0.159	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-15.3	-179	80.5	-67.4	168.7	0	0	114.5	L201 V213 I224	L201-E274 VanDerWaalsContact CD1-CD 3.49Å; L201-E274 HydrophobicContact CD1-CG 3.84Å; V213-E274 HydrophobicContact CG2-CB 4.37Å; I224-E274 HydrophobicContact CD1-CB 3.89Å; I224-E274 HydrophobicContact CG1-CB 4.14Å
275	K	86.9	Confident	85.9	Confident	155 Å²	155	55.8 Å²	55.8	67%	0.674	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	-6.5	-178.2	-66.7	171.9	-175.7	168	0	113.5	N273 K277	N273-K275 PolarHBondContact O-N 3.15Å; N273-K275 WeakPolarHBondContact OD1-CA 3.49Å; N273-K275 WeakPolarHBondContact OD1-CB 3.14Å; N273-K275 PolarHBondContact OD1-N 2.83Å; K275-K277 PolarHBondContact O-N 3.11Å
276	D	85.2	Confident	86	Confident	19 Å²	19	51.7 Å²	51.7	10%	0.102	26%	0.264	C	S	.	.			trans	-57.5	119.8	-179.7	-176.9	4.9	0	0	0	110.6	R257 L271 F272 N273 H278	R257-D276 IonicContact NE-OD2 3.89Å; L271-D276 WeakPolarHBondContact CA-OD2 3.16Å; L271-D276 HydrophobicContact CB-CB 4.06Å; L271-D276 HydrophobicContact CD2-CB 4.21Å; F272-D276 HydrophobicContact CB-CB 4.33Å; F272-D276 VanDerWaalsContact CD2-OD2 3.27Å; F272-D276 WeakPolarHBondContact CD2-OD2 3.45Å; F272-D276 PolarHBondContact N-OD2 3.05Å; N273-D276 PolarHBondContact O-N 3.43Å; N273-D276 PolarHBondContact OD1-N 3.08Å; D276-H278 WeakPolarHBondContact OD1-CA 3.49Å; D276-H278 PolarHBondContact OD1-N 3.11Å
277	K	82.9	Confident	86.2	Confident	180 Å²	180	55.5 Å²	55.5	78%	0.783	28%	0.282	S	S	*	.	S	Bend	trans	-88.6	-9.9	179.8	-61.5	-176.5	-176.3	171.4	0	112.7	K275 P279	K275-K277 PolarHBondContact O-N 3.11Å; K277-P279 VanDerWaalsContact C-CD 3.45Å; K277-P279 WeakPolarHBondContact O-CD 3.38Å
278	H	82.8	Confident	86.5	Confident	146 Å²	146	53.5 Å²	53.5	68%	0.676	27%	0.274	S	S	*	.	S	Bend	trans	-128.9	64.4	-173.1	-60.4	-62.5	0	0	0	111.3	R257 D276	R257-H278 PolarHBondContact NH2-O 2.94Å; D276-H278 WeakPolarHBondContact OD1-CA 3.49Å; D276-H278 PolarHBondContact OD1-N 3.11Å
279	P	85.7	Confident	86.7	Confident	24 Å²	24	55.3 Å²	55.3	16%	0.156	28%	0.284	C	S	.	.			trans	-62.7	144.8	177.7	28.7	-36.6	0	0	0	111.3	P227 Q269 L270 L271 K277	P227-P279 HydrophobicContact CG-CG 3.81Å; Q269-P279 HydrophobicContact CB-CB 4.46Å; L270-P279 CarbonylContact O-C 3.52Å; L270-P279 VanDerWaalsContact O-CA 3.28Å; L270-P279 WeakPolarHBondContact O-CA 3.49Å; L271-P279 HydrophobicContact CD2-CB 4.19Å; L271-P279 HydrophobicContact CG-CB 3.9Å; K277-P279 VanDerWaalsContact C-CD 3.45Å; K277-P279 WeakPolarHBondContact O-CD 3.38Å
280	L	87	Confident	86.9	Confident	57 Å²	57	56.5 Å²	56.5	30%	0.298	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	129	162.5	-75	169.5	0	0	0	108.8	Q269 L270 Y323	Q269-L280 CarbonylContact C-O 3.55Å; Q269-L280 VanDerWaalsContact CA-O 3.3Å; Q269-L280 WeakPolarHBondContact CA-O 3.38Å; L270-L280 HydrophobicContact CB-CB 4.32Å; L270-L280 PolarHBondContact N-O 3.4Å; L270-L280 PolarHBondContact O-N 2.88Å; L280-Y323 VanDerWaalsContact CD1-C 3.42Å; L280-Y323 WeakPolarHBondContact CD1-O 3.27Å
281	T	85.6	Confident	87.2	Confident	91 Å²	91	56.2 Å²	56.2	56%	0.558	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.1	129	176.9	59.9	0	0	0	0	110.3	L268 Q269	L268-T281 CarbonylContact O-C 3.53Å; L268-T281 VanDerWaalsContact O-CA 3.28Å; L268-T281 WeakPolarHBondContact O-CA 3.48Å; Q269-T281 HydrophobicContact CG-CG2 4.19Å
282	A	81	Confident	87.4	Confident	29 Å²	29	58.5 Å²	58.5	24%	0.24	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	145.9	170.3	0	0	0	0	0	109.6	Y267 L268	Y267-A282 CarbonylContact C-O 3.59Å; Y267-A282 WeakPolarHBondContact CA-O 3.47Å; L268-A282 HydrophobicContact CB-CB 4.44Å; L268-A282 HydrophobicContact CD1-CB 4.45Å; L268-A282 PolarHBondContact N-O 3.37Å; L268-A282 PolarHBondContact O-N 2.98Å
283	N	82.6	Confident	87.7	Confident	89 Å²	89	58 Å²	58	48%	0.476	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	114.8	173	-176.8	9.5	0	0	0	108.6	G266 Y267	G266-N283 WeakPolarHBondContact O-CA 3.24Å; Y267-N283 HydrophobicContact CD1-CB 3.93Å; Y267-N283 HydrophobicContact CE1-CB 3.87Å; Y267-N283 WeakPolarHBondContact CE1-ND2 3.27Å; Y267-N283 VanDerWaalsContact CZ-ND2 3.3Å; Y267-N283 PolarHBondContact OH-ND2 3.04Å
284	L	81.2	Confident	87.9	Confident	36 Å²	36	56.8 Å²	56.8	19%	0.188	29%	0.29	C	S	.	.			trans	-109.9	131.5	178	-62	175.2	0	0	0	108.1	G266 L268 I286 I320	G266-L284 WeakPolarHBondContact CA-O 3.45Å; G266-L284 PolarHBondContact O-N 3.38Å; L268-L284 HydrophobicContact CD1-CD1 3.81Å; L268-L284 HydrophobicContact CD1-CG 4.09Å; L284-I286 HydrophobicContact CB-CD1 3.57Å; L284-I286 HydrophobicContact CB-CG1 3.66Å; L284-I286 HydrophobicContact CD1-CD1 3.69Å; L284-I286 HydrophobicContact CG-CD1 4.28Å; L284-I286 PolarHBondContact O-N 2.9Å; L284-I320 HydrophobicContact CD1-CD1 3.93Å
285	P	83.3	Confident	87.9	Confident	103 Å²	103	56.5 Å²	56.5	67%	0.669	29%	0.291	S	S	*	.	S	Bend	trans	-76.4	64.4	179.1	32.6	-36.1	0	0	0	111
286	I	88	Confident	87.7	Confident	8 Å²	8	52.8 Å²	52.8	4%	0.041	28%	0.279	C	S	.	.	S	Bend	trans	-141.6	152.1	-173.4	65.6	-175.4	0	0	0	109.8	Q265 G266 L284 V288 V302 A304 Y318	Q265-I286 CarbonylContact C-O 3.6Å; G266-I286 WeakPolarHBondContact CA-O 3.35Å; G266-I286 PolarHBondContact N-O 3.21Å; G266-I286 VanDerWaalsContact N-O 3.16Å; L284-I286 HydrophobicContact CB-CD1 3.57Å; L284-I286 HydrophobicContact CB-CG1 3.66Å; L284-I286 HydrophobicContact CD1-CD1 3.69Å; L284-I286 HydrophobicContact CG-CD1 4.28Å; L284-I286 PolarHBondContact O-N 2.9Å; I286-V288 HydrophobicContact CD1-CG2 4.35Å; I286-V288 HydrophobicContact CG1-CG2 4.17Å; I286-V302 HydrophobicContact CD1-CG1 4.46Å; I286-A304 HydrophobicContact CB-CB 3.88Å; I286-A304 HydrophobicContact CD1-CB 3.65Å; I286-A304 HydrophobicContact CG1-CB 3.87Å; I286-Y318 HydrophobicContact CB-CE2 4.49Å; I286-Y318 HydrophobicContact CD1-CD2 3.69Å; I286-Y318 HydrophobicContact CD1-CE2 3.73Å; I286-Y318 HydrophobicContact CD1-CG 4.31Å; I286-Y318 HydrophobicContact CG2-CE2 3.76Å; I286-Y318 WeakPolarHBondContact CG2-OH 3.46Å
287	Q	90.5	Very high	87.7	Confident	79 Å²	79	52 Å²	52	37%	0.369	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	104.8	173.1	-171.7	174.2	3.8	0	0	109.6	Q264 A304 E305	Q264-Q287 HydrophobicContact CG-CG 4.1Å; Q264-Q287 CarbonylContact O-C 3.55Å; Q264-Q287 VanDerWaalsContact O-CA 3.24Å; Q264-Q287 WeakPolarHBondContact O-CA 3.37Å; Q287-A304 CarbonylContact O-C 3.59Å; Q287-A304 WeakPolarHBondContact O-CA 3.48Å; Q287-A304 VanDerWaalsContact O-CB 3.31Å; Q287-A304 WeakPolarHBondContact O-CB 3.46Å; Q287-E305 PolarHBondContact N-O 3.5Å; Q287-E305 PolarHBondContact O-N 3.44Å
288	V	92.6	Very high	87.8	Confident	6 Å²	6	46.7 Å²	46.7	4%	0.036	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	133.9	-175.3	-176.2	0	0	0	0	111	V239 V262 Q264 I286 V302 A304	V239-V288 HydrophobicContact CG1-CG1 4.29Å; V262-V288 HydrophobicContact CG1-CB 4.06Å; V262-V288 HydrophobicContact CG1-CG1 3.67Å; V262-V288 HydrophobicContact CG1-CG2 3.89Å; Q264-V288 PolarHBondContact O-N 3.13Å; I286-V288 HydrophobicContact CD1-CG2 4.35Å; I286-V288 HydrophobicContact CG1-CG2 4.17Å; V288-V302 HydrophobicContact CB-CG1 4.5Å; V288-V302 HydrophobicContact CG1-CG1 3.8Å; V288-V302 HydrophobicContact CG2-CG1 3.9Å; V288-A304 HydrophobicContact CG2-CB 4.5Å
289	I	93.3	Very high	88.1	Confident	43 Å²	43	41 Å²	41	22%	0.221	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-50.7	174.1	-63.4	158.4	0	0	0	110.1	V239 L303 E305 A337	V239-I289 WeakPolarHBondContact CG1-O 3.4Å; I289-L303 HydrophobicContact CB-CD2 4.37Å; I289-L303 HydrophobicContact CB-CG 4.27Å; I289-L303 HydrophobicContact CD1-CD2 4.41Å; I289-L303 HydrophobicContact CD1-CG 4.09Å; I289-L303 HydrophobicContact CG2-CD2 4.17Å; I289-L303 PolarHBondContact N-O 3.31Å; I289-E305 HydrophobicContact CD1-CG 3.78Å; I289-A337 WeakPolarHBondContact CD1-O 3.43Å
290	V	94.5	Very high	88.5	Confident	25 Å²	25	39.9 Å²	39.9	15%	0.152	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	151	177.5	65.4	0	0	0	0	110.3	K292 L303	V290-K292 HydrophobicContact CG2-CG 4.37Å; V290-L303 HydrophobicContact CG1-CB 3.89Å; V290-L303 HydrophobicContact CG1-CD2 4.01Å; V290-L303 PolarHBondContact N-O 3.1Å; V290-L303 PolarHBondContact O-N 3.42Å
291	A	95.3	Very high	88.8	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	141.2	168.3	0	0	0	0	0	111.4	C240 V262 L300 A301 V302	C240-A291 PolarHBondContact SG-N 3.14Å; V262-A291 HydrophobicContact CB-CB 4.43Å; V262-A291 HydrophobicContact CG2-CB 3.82Å; A291-L300 HydrophobicContact CB-CD1 3.99Å; A291-L300 HydrophobicContact CB-CD2 4.46Å; A291-L300 HydrophobicContact CB-CG 4.32Å; A291-A301 CarbonylContact C-O 3.54Å; A291-A301 WeakPolarHBondContact CA-O 2.95Å; A291-V302 HydrophobicContact CB-CB 4.49Å; A291-V302 HydrophobicContact CB-CG2 4.07Å
292	K	95.1	Very high	89.3	Confident	47 Å²	47	32.8 Å²	32.8	20%	0.204	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	126.8	-179.9	-69.6	-68.8	161.5	-138.9	0	112	D242 V290 A301 W342	D242-K292 WeakPolarHBondContact OD1-CD 3.39Å; D242-K292 IonicContact OD1-NZ 3.57Å; D242-K292 PolarHBondContact OD1-NZ 3.07Å; D242-K292 WeakPolarHBondContact OD2-CA 2.97Å; V290-K292 HydrophobicContact CG2-CG 4.37Å; K292-A301 PolarHBondContact N-O 3.04Å; K292-A301 PolarHBondContact O-N 3.14Å; K292-W342 PolarHBondContact O-NE1 2.92Å
293	W	93.8	Very high	89.9	Confident	14 Å²	14	31.4 Å²	31.4	5%	0.053	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	144.1	168.3	-74.4	105.7	0	0	0	110.7	D242 R257 C258 A260 L270 G297 V299 L300 W342	D242-W293 PolarHBondContact O-NE1 3.03Å; D242-W293 PolarHBondContact OD2-N 3.13Å; R257-W293 WeakPolarHBondContact O-CH2 3.08Å; C258-W293 PolarHBondContact O-NE1 3.27Å; A260-W293 HydrophobicContact CB-CZ2 4.17Å; L270-W293 HydrophobicContact CD2-CZ2 4.04Å; W293-G297 WeakPolarHBondContact CZ3-O 3.12Å; W293-V299 VanDerWaalsContact CE3-C 3.4Å; W293-L300 HydrophobicContact CD2-CB 4.03Å; W293-L300 HydrophobicContact CD2-CD1 3.88Å; W293-L300 HydrophobicContact CE3-CB 3.86Å; W293-L300 HydrophobicContact CG-CD1 3.91Å; W293-L300 HydrophobicContact CH2-CB 3.94Å; W293-L300 HydrophobicContact CZ2-CB 4.13Å; W293-L300 HydrophobicContact CZ2-CD1 4.46Å; W293-L300 HydrophobicContact CZ3-CB 3.81Å; W293-W342 PolarHBondContact O-NE1 3.09Å
294	N	90.8	Very high	90.5	Very high	8 Å²	8	27.2 Å²	27.2	4%	0.043	15%	0.151	C	C	.	.			trans	-66.1	160.2	164	62.8	-8.9	0	0	0	110.7	D296 G297 T298 V299 W342	N294-D296 PolarHBondContact ND2-OD1 3.13Å; N294-D296 PolarHBondContact O-N 3.41Å; N294-D296 PolarHBondContact OD1-OD1 3.34Å; N294-D296 VanDerWaalsContact OD1-OD1 3.09Å; N294-G297 PolarHBondContact O-N 3.03Å; N294-G297 PolarHBondContact OD1-N 3.32Å; N294-T298 PolarHBondContact ND2-OG1 3.42Å; N294-T298 PolarHBondContact OD1-N 3.13Å; N294-V299 PolarHBondContact N-O 3.14Å; N294-V299 PolarHBondContact ND2-N 2.89Å; N294-V299 PolarHBondContact OD1-N 3.22Å; N294-V299 PolarHBondContact OD1-O 3.3Å; N294-W342 HydrophobicContact CB-CD2 3.86Å; N294-W342 HydrophobicContact CB-CE3 4.09Å; N294-W342 HydrophobicContact CB-CG 4.3Å; N294-W342 HydrophobicContact CB-CH2 4.18Å; N294-W342 HydrophobicContact CB-CZ2 3.98Å; N294-W342 HydrophobicContact CB-CZ3 4.23Å
295	P	88.2	Confident	90.9	Very high	28 Å²	28	27.3 Å²	27.3	18%	0.182	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-22.8	-171.1	-27.6	37.2	0	0	0	115.9	W342 E343	P295-W342 HydrophobicContact CG-CB 4.41Å; P295-E343 WeakPolarHBondContact CG-O 3.49Å
296	D	81.9	Confident	91.1	Very high	77 Å²	77	25 Å²	25	41%	0.412	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-5.2	175.9	60.1	-39.2	0	0	0	113.8	N294 T298	N294-D296 PolarHBondContact ND2-OD1 3.13Å; N294-D296 PolarHBondContact O-N 3.41Å; N294-D296 PolarHBondContact OD1-OD1 3.34Å; N294-D296 VanDerWaalsContact OD1-OD1 3.09Å; D296-T298 VanDerWaalsContact C-N 3.31Å; D296-T298 HydrophobicContact CB-CG2 4.41Å; D296-T298 VanDerWaalsContact CG-OG1 3.28Å; D296-T298 PolarHBondContact O-N 3.4Å; D296-T298 PolarHBondContact OD1-OG1 3.32Å; D296-T298 WeakPolarHBondContact OD2-CB 3.41Å; D296-T298 WeakPolarHBondContact OD2-CG2 3.4Å; D296-T298 PolarHBondContact OD2-OG1 3.24Å
297	G	86	Confident	90.6	Very high	3 Å²	3	28.1 Å²	28.1	3%	0.031	16%	0.157	C	C	.	.	S	Bend	trans	71	19.9	175.7	0	0	0	0	0	115	W293 N294	W293-G297 WeakPolarHBondContact CZ3-O 3.12Å; N294-G297 PolarHBondContact O-N 3.03Å; N294-G297 PolarHBondContact OD1-N 3.32Å
298	T	84.6	Confident	90	Very high	68 Å²	68	31.9 Å²	31.9	42%	0.417	18%	0.175	S	C	.	.	S	Bend	trans	-92.2	-29.7	-177.6	57.5	0	0	0	0	113.2	N294 D296 G322	N294-T298 PolarHBondContact ND2-OG1 3.42Å; N294-T298 PolarHBondContact OD1-N 3.13Å; D296-T298 VanDerWaalsContact C-N 3.31Å; D296-T298 HydrophobicContact CB-CG2 4.41Å; D296-T298 VanDerWaalsContact CG-OG1 3.28Å; D296-T298 PolarHBondContact O-N 3.4Å; D296-T298 PolarHBondContact OD1-OG1 3.32Å; D296-T298 WeakPolarHBondContact OD2-CB 3.41Å; D296-T298 WeakPolarHBondContact OD2-CG2 3.4Å; D296-T298 PolarHBondContact OD2-OG1 3.24Å; T298-G322 PolarHBondContact O-N 3.02Å
299	V	89.4	Confident	89.3	Confident	26 Å²	26	33.3 Å²	33.3	16%	0.158	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	124	-175.9	-176.1	0	0	0	0	110.8	W293 N294 F319 I320 I327 W342	W293-V299 VanDerWaalsContact CE3-C 3.4Å; N294-V299 PolarHBondContact N-O 3.14Å; N294-V299 PolarHBondContact ND2-N 2.89Å; N294-V299 PolarHBondContact OD1-N 3.22Å; N294-V299 PolarHBondContact OD1-O 3.3Å; V299-F319 HydrophobicContact CG1-CB 3.87Å; V299-F319 HydrophobicContact CG1-CD1 3.81Å; V299-F319 HydrophobicContact CG1-CG 4.31Å; V299-I320 WeakPolarHBondContact CA-O 3.36Å; V299-I327 HydrophobicContact CB-CD1 4.39Å; V299-I327 HydrophobicContact CG1-CD1 3.93Å; V299-I327 HydrophobicContact CG2-CD1 3.74Å; V299-W342 HydrophobicContact CG1-CH2 4.48Å
300	L	93.3	Very high	88.3	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	118.9	170.7	-176.3	69.2	0	0	0	109.4	A260 L268 L270 A291 W293 V302 F319 I320	A260-L300 HydrophobicContact CB-CD1 4.01Å; A260-L300 HydrophobicContact CB-CD2 3.79Å; L268-L300 HydrophobicContact CD2-CD2 4.05Å; L270-L300 HydrophobicContact CD2-CD2 3.97Å; A291-L300 HydrophobicContact CB-CD1 3.99Å; A291-L300 HydrophobicContact CB-CD2 4.46Å; A291-L300 HydrophobicContact CB-CG 4.32Å; W293-L300 HydrophobicContact CD2-CB 4.03Å; W293-L300 HydrophobicContact CD2-CD1 3.88Å; W293-L300 HydrophobicContact CE3-CB 3.86Å; W293-L300 HydrophobicContact CG-CD1 3.91Å; W293-L300 HydrophobicContact CH2-CB 3.94Å; W293-L300 HydrophobicContact CZ2-CB 4.13Å; W293-L300 HydrophobicContact CZ2-CD1 4.46Å; W293-L300 HydrophobicContact CZ3-CB 3.81Å; L300-V302 HydrophobicContact CD2-CG2 3.91Å; L300-V302 HydrophobicContact CG-CG2 3.94Å; L300-F319 WeakPolarHBondContact O-CA 3.37Å; L300-I320 PolarHBondContact N-O 3.42Å; L300-I320 PolarHBondContact O-N 3.39Å
301	A	94.4	Very high	87	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	120.9	169.4	0	0	0	0	0	110.4	A291 K292 I317 Y318 F319 W342	A291-A301 CarbonylContact C-O 3.54Å; A291-A301 WeakPolarHBondContact CA-O 2.95Å; K292-A301 PolarHBondContact N-O 3.04Å; K292-A301 PolarHBondContact O-N 3.14Å; A301-I317 HydrophobicContact CB-CD1 3.86Å; A301-I317 HydrophobicContact CB-CG1 4.2Å; A301-Y318 CarbonylContact C-O 3.41Å; A301-Y318 WeakPolarHBondContact CA-O 3.49Å; A301-F319 HydrophobicContact CB-CD1 4.08Å; A301-F319 HydrophobicContact CB-CE1 3.9Å; A301-W342 HydrophobicContact CB-CH2 4.44Å; A301-W342 HydrophobicContact CB-CZ2 3.43Å; A301-W342 VanDerWaalsContact CB-CZ2 3.43Å
302	V	94.9	Very high	85.6	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	102	-178.3	-175	0	0	0	0	108.7	L268 I286 V288 A291 L300 I317 Y318 I320	L268-V302 HydrophobicContact CD2-CG1 4.38Å; L268-V302 HydrophobicContact CD2-CG2 3.67Å; I286-V302 HydrophobicContact CD1-CG1 4.46Å; V288-V302 HydrophobicContact CB-CG1 4.5Å; V288-V302 HydrophobicContact CG1-CG1 3.8Å; V288-V302 HydrophobicContact CG2-CG1 3.9Å; A291-V302 HydrophobicContact CB-CB 4.49Å; A291-V302 HydrophobicContact CB-CG2 4.07Å; L300-V302 HydrophobicContact CD2-CG2 3.91Å; L300-V302 HydrophobicContact CG-CG2 3.94Å; V302-I317 WeakPolarHBondContact O-CA 3.29Å; V302-Y318 PolarHBondContact N-O 2.87Å; V302-Y318 PolarHBondContact O-N 3.22Å; V302-I320 HydrophobicContact CG2-CD1 3.92Å
303	L	95.1	Very high	84.4	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	126.1	174.5	-177	67.4	0	0	0	109.2	I289 V290 I317 I332 A337	I289-L303 HydrophobicContact CB-CD2 4.37Å; I289-L303 HydrophobicContact CB-CG 4.27Å; I289-L303 HydrophobicContact CD1-CD2 4.41Å; I289-L303 HydrophobicContact CD1-CG 4.09Å; I289-L303 HydrophobicContact CG2-CD2 4.17Å; I289-L303 PolarHBondContact N-O 3.31Å; V290-L303 HydrophobicContact CG1-CB 3.89Å; V290-L303 HydrophobicContact CG1-CD2 4.01Å; V290-L303 PolarHBondContact N-O 3.1Å; V290-L303 PolarHBondContact O-N 3.42Å; L303-I317 HydrophobicContact CD1-CB 4.29Å; L303-I332 HydrophobicContact CD1-CD1 3.14Å; L303-A337 HydrophobicContact CD1-CB 3.81Å; L303-A337 HydrophobicContact CD2-CB 3.89Å; L303-A337 HydrophobicContact CG-CB 4.27Å
304	A	93.6	Very high	83.9	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	161	-174.7	0	0	0	0	0	112.5	I286 Q287 V288 M316 Y318	I286-A304 HydrophobicContact CB-CB 3.88Å; I286-A304 HydrophobicContact CD1-CB 3.65Å; I286-A304 HydrophobicContact CG1-CB 3.87Å; Q287-A304 CarbonylContact O-C 3.59Å; Q287-A304 WeakPolarHBondContact O-CA 3.48Å; Q287-A304 VanDerWaalsContact O-CB 3.31Å; Q287-A304 WeakPolarHBondContact O-CB 3.46Å; V288-A304 HydrophobicContact CG2-CB 4.5Å; A304-M316 PolarHBondContact N-O 3.42Å; A304-M316 PolarHBondContact O-N 3.41Å; A304-Y318 HydrophobicContact CB-CE2 4.5Å
305	E	90.4	Very high	83.9	Confident	38 Å²	38	43.8 Å²	43.8	18%	0.178	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	139.4	169.4	-76.5	179.4	-170.5	0	0	110.8	Q287 I289 R314	Q287-E305 PolarHBondContact N-O 3.5Å; Q287-E305 PolarHBondContact O-N 3.44Å; I289-E305 HydrophobicContact CD1-CG 3.78Å; E305-R314 CarbonylContact C-O 3.6Å; E305-R314 VanDerWaalsContact CA-O 3.3Å; E305-R314 WeakPolarHBondContact CA-O 3.27Å; E305-R314 HydrophobicContact CG-CB 4.48Å
306	K	86.8	Confident	84	Confident	55 Å²	55	42.9 Å²	42.9	24%	0.239	24%	0.241	C	C	.	.			trans	-108.8	103.6	170.9	-168	173.3	-177.5	-178.6	0	109.8	E308 L309 R314 M316	K306-E308 WeakPolarHBondContact CE-OE2 3.39Å; K306-E308 HydrophobicContact CG-CB 4.49Å; K306-E308 IonicContact NZ-OE2 3.93Å; K306-E308 PolarHBondContact O-N 3.46Å; K306-E308 VanDerWaalsContact O-N 3.1Å; K306-L309 HydrophobicContact CB-CD1 3.85Å; K306-L309 HydrophobicContact CB-CG 4.22Å; K306-L309 HydrophobicContact CD-CD1 4.15Å; K306-L309 HydrophobicContact CD-CG 4.31Å; K306-L309 HydrophobicContact CG-CD1 4.31Å; K306-L309 HydrophobicContact CG-CG 4.31Å; K306-L309 PolarHBondContact O-N 2.94Å; K306-R314 PolarHBondContact N-O 2.83Å; K306-M316 HydrophobicContact CB-SD 4.17Å; K306-M316 HydrophobicContact CD-SD 4.44Å
307	A	78.4	Confident	84.5	Confident	73 Å²	73	39.2 Å²	39.2	60%	0.603	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-28	-173.4	0	0	0	0	0	114.3	L309	A307-L309 PolarHBondContact O-N 3.42Å
308	E	77.9	Confident	84.8	Confident	159 Å²	159	40.8 Å²	40.8	74%	0.743	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-17.3	178.8	-61.5	176.7	165.1	0	0	113.7	K306	K306-E308 WeakPolarHBondContact CE-OE2 3.39Å; K306-E308 HydrophobicContact CG-CB 4.49Å; K306-E308 IonicContact NZ-OE2 3.93Å; K306-E308 PolarHBondContact O-N 3.46Å; K306-E308 VanDerWaalsContact O-N 3.1Å
309	L	78.5	Confident	85.1	Confident	36 Å²	36	37.6 Å²	37.6	19%	0.188	21%	0.207	C	C	.	.	S	Bend	trans	-88.5	154.7	-176.3	-63.8	174	0	0	0	112.6	K306 A307 E313 R314 M316	K306-L309 HydrophobicContact CB-CD1 3.85Å; K306-L309 HydrophobicContact CB-CG 4.22Å; K306-L309 HydrophobicContact CD-CD1 4.15Å; K306-L309 HydrophobicContact CD-CG 4.31Å; K306-L309 HydrophobicContact CG-CD1 4.31Å; K306-L309 HydrophobicContact CG-CG 4.31Å; K306-L309 PolarHBondContact O-N 2.94Å; A307-L309 PolarHBondContact O-N 3.42Å; L309-E313 HydrophobicContact CB-CB 4.44Å; L309-E313 VanDerWaalsContact CD1-O 3.24Å; L309-E313 WeakPolarHBondContact CD1-O 3.49Å; L309-R314 HydrophobicContact CB-CG 4.22Å; L309-R314 WeakPolarHBondContact O-CG 3.13Å; L309-R314 PolarHBondContact O-NE 2.76Å; L309-M316 HydrophobicContact CD1-CE 3.13Å; L309-M316 HydrophobicContact CD1-SD 3.9Å
310	P	72.6	Confident	85.1	Confident	83 Å²	83	36.7 Å²	36.7	54%	0.539	20%	0.201	S	C	.	.			trans	-53.9	146.2	170.2	-21.1	31.6	0	0	0	110.8	G312 E313 R314	P310-G312 PolarHBondContact O-N 3.07Å; P310-E313 PolarHBondContact O-N 3.27Å; P310-R314 WeakPolarHBondContact O-CG 3.41Å; P310-R314 PolarHBondContact O-N 3.38Å
311	S	66.4	Low	84.8	Confident	69 Å²	69	37.9 Å²	37.9	48%	0.483	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-51.5	-34.2	-169.3	56	0	0	0	0	115.2	E313	S311-E313 VanDerWaalsContact C-N 3.33Å; S311-E313 PolarHBondContact O-N 2.94Å
312	G	66.8	Low	84.4	Confident	27 Å²	27	38 Å²	38	28%	0.278	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-82.8	0.2	178.5	0	0	0	0	0	115.8	P310 M335	P310-G312 PolarHBondContact O-N 3.07Å; G312-M335 VanDerWaalsContact CA-SD 3.52Å
313	E	69.8	Low	84	Confident	84 Å²	84	42.6 Å²	42.6	39%	0.393	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-125	7.9	179.9	-65.4	-169.4	-155	0	0	112.8	L309 P310 S311 K331	L309-E313 HydrophobicContact CB-CB 4.44Å; L309-E313 VanDerWaalsContact CD1-O 3.24Å; L309-E313 WeakPolarHBondContact CD1-O 3.49Å; P310-E313 PolarHBondContact O-N 3.27Å; S311-E313 VanDerWaalsContact C-N 3.33Å; S311-E313 PolarHBondContact O-N 2.94Å; E313-K331 IonicContact OE2-NZ 3.76Å; E313-K331 PolarHBondContact OE2-NZ 2.9Å
314	R	82.9	Confident	83.4	Confident	94 Å²	94	43.7 Å²	43.7	36%	0.355	24%	0.237	S	C	.	.			trans	-70.2	-36.8	-174.2	-69.2	-174.8	175.7	175.5	-3	112.8	E305 K306 L309 P310 M316	E305-R314 CarbonylContact C-O 3.6Å; E305-R314 VanDerWaalsContact CA-O 3.3Å; E305-R314 WeakPolarHBondContact CA-O 3.27Å; E305-R314 HydrophobicContact CG-CB 4.48Å; K306-R314 PolarHBondContact N-O 2.83Å; L309-R314 HydrophobicContact CB-CG 4.22Å; L309-R314 WeakPolarHBondContact O-CG 3.13Å; L309-R314 PolarHBondContact O-NE 2.76Å; P310-R314 WeakPolarHBondContact O-CG 3.41Å; P310-R314 PolarHBondContact O-N 3.38Å; R314-M316 PolarHBondContact O-N 2.81Å
315	S	89.4	Confident	83	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	122.6	-175.2	-66.4	0	0	0	0	110.9	I332 A337	S315-I332 PolarHBondContact O-N 2.89Å; S315-A337 PolarHBondContact OG-N 3.49Å; S315-A337 VanDerWaalsContact OG-N 3.11Å
316	M	90.6	Very high	82.7	Confident	8 Å²	8	50.9 Å²	50.9	4%	0.039	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	153.5	-177.9	-67.6	177.6	155.8	0	0	110.1	A304 K306 L309 R314 Y318 M329 L330 K331	A304-M316 PolarHBondContact N-O 3.42Å; A304-M316 PolarHBondContact O-N 3.41Å; K306-M316 HydrophobicContact CB-SD 4.17Å; K306-M316 HydrophobicContact CD-SD 4.44Å; L309-M316 HydrophobicContact CD1-CE 3.13Å; L309-M316 HydrophobicContact CD1-SD 3.9Å; R314-M316 PolarHBondContact O-N 2.81Å; M316-Y318 HydrophobicContact CB-CD2 4.42Å; M316-Y318 HydrophobicContact CB-CE2 3.77Å; M316-Y318 HydrophobicContact SD-CE2 4.32Å; M316-Y318 PolarHBondContact SD-OH 2.9Å; M316-Y318 VanDerWaalsContact SD-OH 3.35Å; M316-M329 HydrophobicContact CB-CG 4.43Å; M316-M329 HydrophobicContact CE-CE 4.18Å; M316-M329 HydrophobicContact CE-SD 4Å; M316-M329 HydrophobicContact CG-SD 4.24Å; M316-M329 HydrophobicContact SD-SD 4.09Å; M316-L330 CarbonylContact C-O 3.55Å; M316-L330 WeakPolarHBondContact CA-O 3.18Å; M316-K331 HydrophobicContact CE-CD 4.3Å; M316-K331 HydrophobicContact CE-CG 3.79Å; M316-K331 HydrophobicContact CG-CG 4.46Å
317	I	92.2	Very high	82.6	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	126.7	169.4	-164.2	170.1	0	0	0	110.3	A301 V302 L303 F319 M329 L330 I332 C340 L349	A301-I317 HydrophobicContact CB-CD1 3.86Å; A301-I317 HydrophobicContact CB-CG1 4.2Å; V302-I317 WeakPolarHBondContact O-CA 3.29Å; L303-I317 HydrophobicContact CD1-CB 4.29Å; I317-F319 HydrophobicContact CD1-CZ 4.4Å; I317-F319 HydrophobicContact CG1-CZ 4.48Å; I317-F319 HydrophobicContact CG2-CE2 3.95Å; I317-F319 HydrophobicContact CG2-CZ 4.04Å; I317-M329 CarbonylContact O-C 3.18Å; I317-M329 VanDerWaalsContact O-CA 3.28Å; I317-M329 WeakPolarHBondContact O-CA 3.19Å; I317-L330 HydrophobicContact CG2-CB 3.73Å; I317-L330 HydrophobicContact CG2-CD1 4.43Å; I317-L330 HydrophobicContact CG2-CG 4.49Å; I317-L330 PolarHBondContact N-O 3.43Å; I317-L330 PolarHBondContact O-N 3.35Å; I317-I332 HydrophobicContact CB-CD1 4.37Å; I317-C340 HydrophobicContact CD1-CB 4.49Å; I317-L349 HydrophobicContact CD1-CD2 3.13Å
318	Y	92.2	Very high	83	Confident	36 Å²	36	49.8 Å²	49.8	14%	0.141	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	136.6	178.8	-64.7	-100.5	0	0	0	109	I286 A301 V302 A304 M316 M329	I286-Y318 HydrophobicContact CB-CE2 4.49Å; I286-Y318 HydrophobicContact CD1-CD2 3.69Å; I286-Y318 HydrophobicContact CD1-CE2 3.73Å; I286-Y318 HydrophobicContact CD1-CG 4.31Å; I286-Y318 HydrophobicContact CG2-CE2 3.76Å; I286-Y318 WeakPolarHBondContact CG2-OH 3.46Å; A301-Y318 CarbonylContact C-O 3.41Å; A301-Y318 WeakPolarHBondContact CA-O 3.49Å; V302-Y318 PolarHBondContact N-O 2.87Å; V302-Y318 PolarHBondContact O-N 3.22Å; A304-Y318 HydrophobicContact CB-CE2 4.5Å; M316-Y318 HydrophobicContact CB-CD2 4.42Å; M316-Y318 HydrophobicContact CB-CE2 3.77Å; M316-Y318 HydrophobicContact SD-CE2 4.32Å; M316-Y318 PolarHBondContact SD-OH 2.9Å; M316-Y318 VanDerWaalsContact SD-OH 3.35Å; Y318-M329 HydrophobicContact CD1-CB 3.93Å; Y318-M329 HydrophobicContact CD1-CG 3.91Å; Y318-M329 HydrophobicContact CD2-CG 4.48Å; Y318-M329 HydrophobicContact CE1-CB 4.06Å; Y318-M329 HydrophobicContact CE1-CG 3.7Å; Y318-M329 HydrophobicContact CE2-CG 4.28Å; Y318-M329 HydrophobicContact CG-CB 4.49Å; Y318-M329 HydrophobicContact CG-CG 4.3Å
319	F	91.6	Very high	83.4	Confident	1 Å²	1	45.6 Å²	45.6	0%	0.004	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	126.4	174.2	-61.9	-81.7	0	0	0	108.7	V299 L300 A301 I317 I327 H328 L330 W342 I362	V299-F319 HydrophobicContact CG1-CB 3.87Å; V299-F319 HydrophobicContact CG1-CD1 3.81Å; V299-F319 HydrophobicContact CG1-CG 4.31Å; L300-F319 WeakPolarHBondContact O-CA 3.37Å; A301-F319 HydrophobicContact CB-CD1 4.08Å; A301-F319 HydrophobicContact CB-CE1 3.9Å; I317-F319 HydrophobicContact CD1-CZ 4.4Å; I317-F319 HydrophobicContact CG1-CZ 4.48Å; I317-F319 HydrophobicContact CG2-CE2 3.95Å; I317-F319 HydrophobicContact CG2-CZ 4.04Å; F319-I327 HydrophobicContact CB-CB 4.16Å; F319-I327 PolarHBondContact O-N 3.19Å; F319-H328 HydrophobicContact CD2-CB 4.2Å; F319-H328 PolarHBondContact N-O 2.93Å; F319-H328 PolarHBondContact O-N 3.47Å; F319-L330 HydrophobicContact CE2-CD1 3.63Å; F319-L330 HydrophobicContact CE2-CG 3.9Å; F319-L330 HydrophobicContact CZ-CD1 4.04Å; F319-W342 HydrophobicContact CD1-CH2 4.02Å; F319-W342 HydrophobicContact CD1-CZ2 4.23Å; F319-W342 AromaticContact CE1-CH2 3.67Å; F319-W342 HydrophobicContact CE1-CH2 3.67Å; F319-W342 AromaticContact CE1-CZ2 3.99Å; F319-W342 HydrophobicContact CE1-CZ2 3.99Å; F319-I362 HydrophobicContact CD1-CD1 4.48Å; F319-I362 HydrophobicContact CE1-CD1 3.47Å; F319-I362 VanDerWaalsContact CE1-CD1 3.47Å; F319-I362 HydrophobicContact CE1-CG1 4.34Å; F319-I362 HydrophobicContact CZ-CD1 3.64Å; F319-I362 HydrophobicContact CZ-CG1 4.14Å
320	I	90.4	Very high	83.8	Confident	6 Å²	6	45.1 Å²	45.1	3%	0.031	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	135.9	-176.9	-52.8	174.6	0	0	0	108	L268 L284 V299 L300 V302 E325	L268-I320 HydrophobicContact CD2-CD1 3.92Å; L284-I320 HydrophobicContact CD1-CD1 3.93Å; V299-I320 WeakPolarHBondContact CA-O 3.36Å; L300-I320 PolarHBondContact N-O 3.42Å; L300-I320 PolarHBondContact O-N 3.39Å; V302-I320 HydrophobicContact CG2-CD1 3.92Å; I320-E325 WeakPolarHBondContact CA-O 3.5Å
321	N	87.4	Confident	84.5	Confident	26 Å²	26	45.9 Å²	45.9	14%	0.139	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	170.3	176.5	69.4	14.7	0	0	0	111.9	Y323 G324 E325 I327	N321-Y323 PolarHBondContact O-N 3.42Å; N321-Y323 WeakPolarHBondContact OD1-CA 3.03Å; N321-Y323 WeakPolarHBondContact OD1-CB 3.39Å; N321-Y323 PolarHBondContact OD1-N 3.49Å; N321-G324 PolarHBondContact O-N 3.14Å; N321-G324 PolarHBondContact OD1-N 3.01Å; N321-G324 VanDerWaalsContact OD1-N 3.15Å; N321-E325 PolarHBondContact N-O 2.82Å; N321-E325 PolarHBondContact ND2-OE2 2.89Å; N321-E325 WeakPolarHBondContact OD1-CB 3.28Å; N321-E325 PolarHBondContact OD1-N 2.98Å; N321-E325 PolarHBondContact OD1-O 3.29Å; N321-I327 HydrophobicContact CB-CD1 3.84Å; N321-I327 HydrophobicContact CB-CG1 4.02Å
322	G	85.1	Confident	85.5	Confident	2 Å²	2	42.7 Å²	42.7	2%	0.021	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-9.7	174.5	0	0	0	0	0	115.7	R257 T298	R257-G322 WeakPolarHBondContact CB-O 2.93Å; R257-G322 PolarHBondContact N-O 3.32Å; T298-G322 PolarHBondContact O-N 3.02Å
323	Y	85.3	Confident	86.2	Confident	97 Å²	97	45.5 Å²	45.5	38%	0.38	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	5.8	174.3	-55	-75.8	0	0	0	112.7	S254 P256 L280 N321 E325	S254-Y323 PolarHBondContact O-OH 2.83Å; P256-Y323 HydrophobicContact CB-CE1 4.44Å; P256-Y323 HydrophobicContact CB-CE2 4.42Å; L280-Y323 VanDerWaalsContact CD1-C 3.42Å; L280-Y323 WeakPolarHBondContact CD1-O 3.27Å; N321-Y323 PolarHBondContact O-N 3.42Å; N321-Y323 WeakPolarHBondContact OD1-CA 3.03Å; N321-Y323 WeakPolarHBondContact OD1-CB 3.39Å; N321-Y323 PolarHBondContact OD1-N 3.49Å; Y323-E325 VanDerWaalsContact C-N 3.28Å; Y323-E325 PolarHBondContact O-N 3.41Å
324	G	83.5	Confident	86.7	Confident	22 Å²	22	41.9 Å²	41.9	23%	0.227	21%	0.213	C	C	.	.	S	Bend	trans	78.2	8.6	179.3	0	0	0	0	0	114.4	N321	N321-G324 PolarHBondContact O-N 3.14Å; N321-G324 PolarHBondContact OD1-N 3.01Å; N321-G324 VanDerWaalsContact OD1-N 3.15Å
325	E	84.6	Confident	86.7	Confident	86 Å²	86	42.4 Å²	42.4	40%	0.402	22%	0.221	S	C	.	.			trans	-88.1	132.4	-179.8	-52.2	176.4	138	0	0	110.7	I320 N321 Y323 I327	I320-E325 WeakPolarHBondContact CA-O 3.5Å; N321-E325 PolarHBondContact N-O 2.82Å; N321-E325 PolarHBondContact ND2-OE2 2.89Å; N321-E325 WeakPolarHBondContact OD1-CB 3.28Å; N321-E325 PolarHBondContact OD1-N 2.98Å; N321-E325 PolarHBondContact OD1-O 3.29Å; Y323-E325 VanDerWaalsContact C-N 3.28Å; Y323-E325 PolarHBondContact O-N 3.41Å; E325-I327 PolarHBondContact O-N 3.2Å
326	P	85.7	Confident	86.6	Confident	103 Å²	103	45.6 Å²	45.6	67%	0.669	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	122.7	174.8	29.1	-32.8	0	0	0	110.2
327	I	84.6	Confident	86.7	Confident	46 Å²	46	45.2 Å²	45.2	24%	0.236	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-51.8	178.8	-54	177.1	0	0	0	110.4	A13 V15 V299 F319 N321 E325	A13-I327 WeakPolarHBondContact O-CG2 3.42Å; V15-I327 HydrophobicContact CG2-CG2 4.47Å; V299-I327 HydrophobicContact CB-CD1 4.39Å; V299-I327 HydrophobicContact CG1-CD1 3.93Å; V299-I327 HydrophobicContact CG2-CD1 3.74Å; F319-I327 HydrophobicContact CB-CB 4.16Å; F319-I327 PolarHBondContact O-N 3.19Å; N321-I327 HydrophobicContact CB-CD1 3.84Å; N321-I327 HydrophobicContact CB-CG1 4.02Å; E325-I327 PolarHBondContact O-N 3.2Å
328	H	85.5	Confident	86.7	Confident	59 Å²	59	49.8 Å²	49.8	27%	0.273	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	167.9	-174.7	-163.8	58.1	0	0	0	112.4	V15 F319 L330	V15-H328 HydrophobicContact CB-CB 3.69Å; V15-H328 HydrophobicContact CG2-CB 4.02Å; V15-H328 PolarHBondContact O-CD2 3.13Å; V15-H328 PolarHBondContact O-CE1 3.49Å; V15-H328 PolarHBondContact O-ND1 3.22Å; V15-H328 PolarHBondContact O-NE2 3.17Å; F319-H328 HydrophobicContact CD2-CB 4.2Å; F319-H328 PolarHBondContact N-O 2.93Å; F319-H328 PolarHBondContact O-N 3.47Å; H328-L330 WeakPolarHBondContact NE2-CD2 3.45Å
329	M	86.8	Confident	86.7	Confident	71 Å²	71	48.5 Å²	48.5	35%	0.35	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	133.6	171.9	173.8	-85.9	-66.8	0	0	110.1	M316 I317 Y318 K331	M316-M329 HydrophobicContact CB-CG 4.43Å; M316-M329 HydrophobicContact CE-CE 4.18Å; M316-M329 HydrophobicContact CE-SD 4Å; M316-M329 HydrophobicContact CG-SD 4.24Å; M316-M329 HydrophobicContact SD-SD 4.09Å; I317-M329 CarbonylContact O-C 3.18Å; I317-M329 VanDerWaalsContact O-CA 3.28Å; I317-M329 WeakPolarHBondContact O-CA 3.19Å; Y318-M329 HydrophobicContact CD1-CB 3.93Å; Y318-M329 HydrophobicContact CD1-CG 3.91Å; Y318-M329 HydrophobicContact CD2-CG 4.48Å; Y318-M329 HydrophobicContact CE1-CB 4.06Å; Y318-M329 HydrophobicContact CE1-CG 3.7Å; Y318-M329 HydrophobicContact CE2-CG 4.28Å; Y318-M329 HydrophobicContact CG-CB 4.49Å; Y318-M329 HydrophobicContact CG-CG 4.3Å; M329-K331 HydrophobicContact SD-CG 4.15Å
330	L	86.3	Confident	86.9	Confident	27 Å²	27	48.8 Å²	48.8	14%	0.141	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	130.6	174.3	-62.6	172.3	0	0	0	109.8	M316 I317 F319 H328	M316-L330 CarbonylContact C-O 3.55Å; M316-L330 WeakPolarHBondContact CA-O 3.18Å; I317-L330 HydrophobicContact CG2-CB 3.73Å; I317-L330 HydrophobicContact CG2-CD1 4.43Å; I317-L330 HydrophobicContact CG2-CG 4.49Å; I317-L330 PolarHBondContact N-O 3.43Å; I317-L330 PolarHBondContact O-N 3.35Å; F319-L330 HydrophobicContact CE2-CD1 3.63Å; F319-L330 HydrophobicContact CE2-CG 3.9Å; F319-L330 HydrophobicContact CZ-CD1 4.04Å; H328-L330 WeakPolarHBondContact NE2-CD2 3.45Å
331	K	86.8	Confident	87.1	Confident	99 Å²	99	49.3 Å²	49.3	43%	0.43	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	135.6	167.5	-69.1	-173.6	175.5	-170.9	0	109.6	F20 E313 M316 M329	F20-K331 WeakPolarHBondContact CE2-O 3.5Å; F20-K331 WeakPolarHBondContact CZ-O 3.49Å; E313-K331 IonicContact OE2-NZ 3.76Å; E313-K331 PolarHBondContact OE2-NZ 2.9Å; M316-K331 HydrophobicContact CE-CD 4.3Å; M316-K331 HydrophobicContact CE-CG 3.79Å; M316-K331 HydrophobicContact CG-CG 4.46Å; M329-K331 HydrophobicContact SD-CG 4.15Å
332	I	87.4	Confident	87.4	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.01	25%	0.249	C	C	.	.			trans	-97.2	128.4	178.6	-58.8	165.6	0	0	0	108.6	F20 L303 S315 I317 A334 A337 I351 A353 I358	F20-I332 HydrophobicContact CZ-CB 4.44Å; F20-I332 HydrophobicContact CZ-CG1 4.29Å; L303-I332 HydrophobicContact CD1-CD1 3.14Å; S315-I332 PolarHBondContact O-N 2.89Å; I317-I332 HydrophobicContact CB-CD1 4.37Å; I332-A334 HydrophobicContact CG2-CB 3.99Å; I332-A334 PolarHBondContact O-N 3.36Å; I332-A337 HydrophobicContact CD1-CB 3.94Å; I332-I351 HydrophobicContact CD1-CD1 4.06Å; I332-I351 HydrophobicContact CD1-CG2 4.16Å; I332-I351 HydrophobicContact CG1-CD1 4.22Å; I332-A353 HydrophobicContact CG2-CB 4.18Å; I332-I358 HydrophobicContact CG2-CD1 3.91Å
333	P	82.6	Confident	87.7	Confident	86 Å²	86	50.7 Å²	50.7	56%	0.558	26%	0.259	S	S	*	.	S	Bend	trans	-80.4	59.5	-177.2	34.8	-39.1	0	0	0	110.1	F20 I358	F20-P333 HydrophobicContact CD2-CG 3.56Å; F20-P333 HydrophobicContact CE2-CG 3.83Å; F20-P333 HydrophobicContact CG-CG 4.1Å; F20-P333 HydrophobicContact CZ-CG 4.44Å; P333-I358 HydrophobicContact CG-CD1 4.18Å
334	A	80.3	Confident	87.7	Confident	7 Å²	7	52.5 Å²	52.5	6%	0.058	27%	0.269	C	S	.	.	S	Bend	trans	-148	154.2	-179	0	0	0	0	0	110	I332 A353 D354 I358	I332-A334 HydrophobicContact CG2-CB 3.99Å; I332-A334 PolarHBondContact O-N 3.36Å; A334-A353 HydrophobicContact CB-CB 3.49Å; A334-A353 VanDerWaalsContact CB-CB 3.49Å; A334-D354 WeakPolarHBondContact CA-OD2 3.34Å; A334-D354 WeakPolarHBondContact CB-OD2 3.47Å; A334-I358 HydrophobicContact CB-CD1 4.47Å
335	M	83.5	Confident	87.7	Confident	105 Å²	105	54.3 Å²	54.3	52%	0.517	28%	0.278	S	S	.	.	S	Bend	trans	-68	-44.5	174.7	-67	-73.5	166.5	0	0	110.4	G312 D354	G312-M335 VanDerWaalsContact CA-SD 3.52Å; M335-D354 PolarHBondContact N-OD2 3.23Å
336	Q	87.1	Confident	87.7	Confident	67 Å²	67	50.5 Å²	50.5	31%	0.313	26%	0.262	S	S	.	.			trans	-138.7	130.7	179.1	-65.9	-175.9	-0.5	0	0	111.2	A353 D354	Q336-A353 CarbonylContact O-C 3.55Å; Q336-A353 VanDerWaalsContact O-CA 3.3Å; Q336-A353 WeakPolarHBondContact O-CA 3.33Å; Q336-D354 PolarHBondContact N-OD1 3Å; Q336-D354 PolarHBondContact O-N 2.96Å
337	A	91.3	Very high	87.5	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	138.8	165.9	0	0	0	0	0	109.5	I289 L303 S315 I332 I351 A352 A353	I289-A337 WeakPolarHBondContact CD1-O 3.43Å; L303-A337 HydrophobicContact CD1-CB 3.81Å; L303-A337 HydrophobicContact CD2-CB 3.89Å; L303-A337 HydrophobicContact CG-CB 4.27Å; S315-A337 PolarHBondContact OG-N 3.49Å; S315-A337 VanDerWaalsContact OG-N 3.11Å; I332-A337 HydrophobicContact CD1-CB 3.94Å; A337-I351 HydrophobicContact CB-CG2 4.06Å; A337-A352 CarbonylContact C-O 3.59Å; A337-A352 WeakPolarHBondContact CA-O 3.48Å; A337-A353 HydrophobicContact CB-CB 4.32Å
338	R	92.2	Very high	87.7	Confident	98 Å²	98	48.4 Å²	48.4	37%	0.37	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	-20	-173.3	-66.1	-62.3	-172.4	146.6	-0.8	114.5	L32 A352	L32-R338 WeakPolarHBondContact O-CG 3.45Å; R338-A352 PolarHBondContact N-O 3.02Å
339	G	93.3	Very high	87.9	Confident	8 Å²	8	45.6 Å²	45.6	8%	0.082	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	160.1	177.3	0	0	0	0	0	112.6	I35 I351 A352	I35-G339 VanDerWaalsContact CG2-C 3.49Å; I35-G339 WeakPolarHBondContact CG2-O 3.48Å; G339-I351 CarbonylContact O-C 3.57Å; G339-I351 WeakPolarHBondContact O-CA 3.44Å; G339-A352 PolarHBondContact O-N 3.22Å
340	C	95.1	Very high	88.2	Confident	7 Å²	7	42.2 Å²	42.2	5%	0.047	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	153.6	172.1	65	0	0	0	0	111.1	I317 L349 A350 I351	I317-C340 HydrophobicContact CD1-CB 4.49Å; C340-L349 HydrophobicContact CB-CD1 4.21Å; C340-L349 HydrophobicContact CB-CD2 4.04Å; C340-L349 HydrophobicContact CB-CG 4.22Å; C340-A350 CarbonylContact C-O 3.58Å; C340-A350 WeakPolarHBondContact CA-O 3.28Å; C340-I351 HydrophobicContact CB-CG1 4.21Å
341	S	95	Very high	88.6	Confident	17 Å²	17	40.9 Å²	40.9	12%	0.119	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	138.1	176	-172.3	0	0	0	0	111	W37 A350	W37-S341 WeakPolarHBondContact CB-OG 3.3Å; W37-S341 PolarHBondContact N-OG 2.96Å; S341-A350 PolarHBondContact N-O 3.1Å; S341-A350 PolarHBondContact O-N 3.3Å
342	W	93	Very high	88.9	Confident	7 Å²	7	36.2 Å²	36.2	3%	0.027	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	144.5	-179.6	-68	99.1	0	0	0	113.1	K292 W293 N294 P295 V299 A301 F319 G346 L349 I362	K292-W342 PolarHBondContact O-NE1 2.92Å; W293-W342 PolarHBondContact O-NE1 3.09Å; N294-W342 HydrophobicContact CB-CD2 3.86Å; N294-W342 HydrophobicContact CB-CE3 4.09Å; N294-W342 HydrophobicContact CB-CG 4.3Å; N294-W342 HydrophobicContact CB-CH2 4.18Å; N294-W342 HydrophobicContact CB-CZ2 3.98Å; N294-W342 HydrophobicContact CB-CZ3 4.23Å; P295-W342 HydrophobicContact CG-CB 4.41Å; V299-W342 HydrophobicContact CG1-CH2 4.48Å; A301-W342 HydrophobicContact CB-CH2 4.44Å; A301-W342 HydrophobicContact CB-CZ2 3.43Å; A301-W342 VanDerWaalsContact CB-CZ2 3.43Å; F319-W342 HydrophobicContact CD1-CH2 4.02Å; F319-W342 HydrophobicContact CD1-CZ2 4.23Å; F319-W342 AromaticContact CE1-CH2 3.67Å; F319-W342 HydrophobicContact CE1-CH2 3.67Å; F319-W342 AromaticContact CE1-CZ2 3.99Å; F319-W342 HydrophobicContact CE1-CZ2 3.99Å; W342-G346 WeakPolarHBondContact CZ3-O 3.43Å; W342-L349 HydrophobicContact CB-CD1 4.4Å; W342-L349 HydrophobicContact CD2-CD1 3.42Å; W342-L349 VanDerWaalsContact CD2-CD1 3.42Å; W342-L349 HydrophobicContact CE3-CB 4.35Å; W342-L349 HydrophobicContact CE3-CD1 3.9Å; W342-L349 HydrophobicContact CG-CD1 3.64Å; W342-L349 HydrophobicContact CZ2-CD1 4.32Å; W342-I362 HydrophobicContact CE3-CD1 4.18Å; W342-I362 HydrophobicContact CH2-CD1 3.4Å; W342-I362 HydrophobicContact CZ3-CD1 3.16Å; W342-I362 HydrophobicContact CZ3-CG1 4.47Å
343	E	90.9	Very high	89.1	Confident	50 Å²	50	36.1 Å²	36.1	23%	0.234	19%	0.189	C	C	.	.			trans	-70.1	153.8	161.2	-166.8	-155.1	-168.8	0	0	110	W37 P295 S345 G346 C348	W37-E343 HydrophobicContact CD2-CB 4.21Å; W37-E343 HydrophobicContact CE3-CB 4.09Å; W37-E343 HydrophobicContact CH2-CB 3.81Å; W37-E343 HydrophobicContact CH2-CG 4.04Å; W37-E343 HydrophobicContact CZ2-CB 3.9Å; W37-E343 HydrophobicContact CZ2-CG 3.7Å; W37-E343 HydrophobicContact CZ3-CB 3.9Å; P295-E343 WeakPolarHBondContact CG-O 3.49Å; E343-S345 PolarHBondContact O-N 3.38Å; E343-S345 PolarHBondContact OE2-OG 3.16Å; E343-G346 PolarHBondContact O-N 2.96Å; E343-C348 HydrophobicContact CB-CB 3.88Å; E343-C348 WeakPolarHBondContact CB-O 3.45Å; E343-C348 PolarHBondContact N-O 3.28Å
344	K	87.3	Confident	89.4	Confident	135 Å²	135	34.3 Å²	34.3	59%	0.587	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-45.5	-36	175.6	-169.1	-168.3	-169.6	162.2	0	114.6	Q39 G346	Q39-K344 HydrophobicContact CB-CB 4.22Å; Q39-K344 HydrophobicContact CB-CG 4.43Å; Q39-K344 WeakPolarHBondContact O-CB 3.37Å; Q39-K344 VanDerWaalsContact O-CD 3.22Å; Q39-K344 WeakPolarHBondContact O-CD 3.49Å; Q39-K344 WeakPolarHBondContact O-CG 3.15Å; K344-G346 VanDerWaalsContact C-N 3.29Å; K344-G346 PolarHBondContact O-N 3.34Å
345	S	81.5	Confident	89.9	Confident	60 Å²	60	35.2 Å²	35.2	42%	0.42	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-18.6	-176.5	74.1	0	0	0	0	113.7	E343 L347	E343-S345 PolarHBondContact O-N 3.38Å; E343-S345 PolarHBondContact OE2-OG 3.16Å; S345-L347 PolarHBondContact O-N 3.33Å; S345-L347 WeakPolarHBondContact OG-CB 3.38Å; S345-L347 PolarHBondContact OG-N 3.42Å
346	G	84.8	Confident	90.1	Very high	6 Å²	6	30.5 Å²	30.5	6%	0.062	16%	0.157	C	C	.	.	S	Bend	trans	71.2	6.5	-167.8	0	0	0	0	0	114.3	W342 E343 K344	W342-G346 WeakPolarHBondContact CZ3-O 3.43Å; E343-G346 PolarHBondContact O-N 2.96Å; K344-G346 VanDerWaalsContact C-N 3.29Å; K344-G346 PolarHBondContact O-N 3.34Å
347	L	83.1	Confident	90.3	Very high	96 Å²	96	27.3 Å²	27.3	50%	0.503	14%	0.142	S	C	.	.	S	Bend	trans	-106.5	0.3	-177.7	-57.7	176.1	0	0	0	113.6	S345 N361 I362	S345-L347 PolarHBondContact O-N 3.33Å; S345-L347 WeakPolarHBondContact OG-CB 3.38Å; S345-L347 PolarHBondContact OG-N 3.42Å; L347-N361 CarbonylContact O-C 3.5Å; L347-N361 WeakPolarHBondContact O-CA 3.46Å; L347-I362 WeakPolarHBondContact CD2-O 3.27Å; L347-I362 PolarHBondContact O-N 3.17Å
348	C	87.4	Confident	90.2	Very high	9 Å²	9	27.5 Å²	27.5	6%	0.061	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	142.5	175	-167.7	0	0	0	0	109.9	W37 E343 A360 N361	W37-C348 HydrophobicContact CH2-CB 4.12Å; W37-C348 HydrophobicContact CZ3-CB 4.3Å; E343-C348 HydrophobicContact CB-CB 3.88Å; E343-C348 WeakPolarHBondContact CB-O 3.45Å; E343-C348 PolarHBondContact N-O 3.28Å; C348-A360 CarbonylContact C-O 3.58Å; C348-A360 WeakPolarHBondContact CA-O 3.46Å; C348-N361 PolarHBondContact SG-OD1 3.38Å
349	L	91	Very high	90.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	127.4	179.1	-170.8	82	0	0	0	109.6	I317 C340 W342 I351 A360 I362	I317-L349 HydrophobicContact CD1-CD2 3.13Å; C340-L349 HydrophobicContact CB-CD1 4.21Å; C340-L349 HydrophobicContact CB-CD2 4.04Å; C340-L349 HydrophobicContact CB-CG 4.22Å; W342-L349 HydrophobicContact CB-CD1 4.4Å; W342-L349 HydrophobicContact CD2-CD1 3.42Å; W342-L349 VanDerWaalsContact CD2-CD1 3.42Å; W342-L349 HydrophobicContact CE3-CB 4.35Å; W342-L349 HydrophobicContact CE3-CD1 3.9Å; W342-L349 HydrophobicContact CG-CD1 3.64Å; W342-L349 HydrophobicContact CZ2-CD1 4.32Å; L349-I351 HydrophobicContact CD2-CD1 4.11Å; L349-I351 HydrophobicContact CD2-CG1 3.92Å; L349-I351 HydrophobicContact CG-CG1 4.29Å; L349-A360 PolarHBondContact N-O 3.5Å; L349-A360 PolarHBondContact O-N 3.45Å; L349-I362 HydrophobicContact CB-CD1 4.06Å
350	A	92.5	Very high	89.8	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	134.3	170.5	0	0	0	0	0	110	I35 W37 I44 C340 S341 I357 I358 L359	I35-A350 HydrophobicContact CD1-CB 3.67Å; I35-A350 HydrophobicContact CG1-CB 4.49Å; W37-A350 HydrophobicContact CD2-CB 4.47Å; W37-A350 HydrophobicContact CE3-CB 3.49Å; W37-A350 VanDerWaalsContact CE3-CB 3.49Å; W37-A350 HydrophobicContact CZ3-CB 3.69Å; I44-A350 HydrophobicContact CD1-CB 4.06Å; C340-A350 CarbonylContact C-O 3.58Å; C340-A350 WeakPolarHBondContact CA-O 3.28Å; S341-A350 PolarHBondContact N-O 3.1Å; S341-A350 PolarHBondContact O-N 3.3Å; A350-I357 HydrophobicContact CB-CG2 4.29Å; A350-I358 CarbonylContact C-O 3.56Å; A350-I358 WeakPolarHBondContact CA-O 3.36Å; A350-L359 HydrophobicContact CB-CD2 3.59Å
351	I	93.8	Very high	89.2	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	128.3	-177.8	-56.3	169.3	0	0	0	108.3	F20 I332 A337 G339 C340 L349 A353 I357 I358	F20-I351 HydrophobicContact CE1-CD1 4.38Å; I332-I351 HydrophobicContact CD1-CD1 4.06Å; I332-I351 HydrophobicContact CD1-CG2 4.16Å; I332-I351 HydrophobicContact CG1-CD1 4.22Å; A337-I351 HydrophobicContact CB-CG2 4.06Å; G339-I351 CarbonylContact O-C 3.57Å; G339-I351 WeakPolarHBondContact O-CA 3.44Å; C340-I351 HydrophobicContact CB-CG1 4.21Å; L349-I351 HydrophobicContact CD2-CD1 4.11Å; L349-I351 HydrophobicContact CD2-CG1 3.92Å; L349-I351 HydrophobicContact CG-CG1 4.29Å; I351-A353 HydrophobicContact CG2-CB 4.3Å; I351-I357 CarbonylContact O-C 3.56Å; I351-I357 WeakPolarHBondContact O-CA 3.41Å; I351-I358 HydrophobicContact CB-CB 4.35Å; I351-I358 PolarHBondContact N-O 3.44Å; I351-I358 PolarHBondContact O-N 3.09Å
352	A	94	Very high	88.3	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	112.6	167.7	0	0	0	0	0	108.8	L32 I35 A337 R338 G339	L32-A352 HydrophobicContact CB-CB 3.8Å; L32-A352 HydrophobicContact CD1-CB 4.09Å; I35-A352 HydrophobicContact CB-CB 3.85Å; I35-A352 HydrophobicContact CG2-CB 3.96Å; A337-A352 CarbonylContact C-O 3.59Å; A337-A352 WeakPolarHBondContact CA-O 3.48Å; R338-A352 PolarHBondContact N-O 3.02Å; G339-A352 PolarHBondContact O-N 3.22Å
353	A	90.9	Very high	87.1	Confident	1 Å²	1	34 Å²	34	1%	0.008	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	123.2	-176.1	0	0	0	0	0	110.8	I332 A334 Q336 A337 I351 S355 S356 I358	I332-A353 HydrophobicContact CG2-CB 4.18Å; A334-A353 HydrophobicContact CB-CB 3.49Å; A334-A353 VanDerWaalsContact CB-CB 3.49Å; Q336-A353 CarbonylContact O-C 3.55Å; Q336-A353 VanDerWaalsContact O-CA 3.3Å; Q336-A353 WeakPolarHBondContact O-CA 3.33Å; A337-A353 HydrophobicContact CB-CB 4.32Å; I351-A353 HydrophobicContact CG2-CB 4.3Å; A353-S355 PolarHBondContact O-N 3.39Å; A353-S355 VanDerWaalsContact O-N 3.12Å; A353-S356 PolarHBondContact N-O 3.14Å; A353-S356 CarbonylContact O-C 3.53Å; A353-S356 PolarHBondContact O-N 3.14Å; A353-I358 HydrophobicContact CB-CD1 3.64Å; A353-I358 HydrophobicContact CB-CG1 4.23Å
354	D	89.2	Confident	85.6	Confident	48 Å²	48	32.8 Å²	32.8	26%	0.257	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.1	-114.7	-171.9	-59.6	-31.8	0	0	0	111.7	Q31 L32 A334 M335 Q336	Q31-D354 CarbonylContact C-O 3.55Å; Q31-D354 WeakPolarHBondContact CA-O 3.48Å; L32-D354 PolarHBondContact N-O 3.11Å; A334-D354 WeakPolarHBondContact CA-OD2 3.34Å; A334-D354 WeakPolarHBondContact CB-OD2 3.47Å; M335-D354 PolarHBondContact N-OD2 3.23Å; Q336-D354 PolarHBondContact N-OD1 3Å; Q336-D354 PolarHBondContact O-N 2.96Å
355	S	90.2	Very high	83.7	Confident	26 Å²	26	29 Å²	29	18%	0.182	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	30.5	176.2	61.6	0	0	0	0	112.8	I26 T30 A353	I26-S355 WeakPolarHBondContact CA-O 3.11Å; I26-S355 WeakPolarHBondContact CB-O 3.21Å; I26-S355 WeakPolarHBondContact CG1-O 3.27Å; I26-S355 PolarHBondContact N-O 2.83Å; T30-S355 WeakPolarHBondContact O-CA 3.25Å; T30-S355 VanDerWaalsContact O-CB 3.3Å; T30-S355 WeakPolarHBondContact O-CB 3.15Å; A353-S355 PolarHBondContact O-N 3.39Å; A353-S355 VanDerWaalsContact O-N 3.12Å
356	S	89.2	Confident	82.2	Confident	5 Å²	5	32.8 Å²	32.8	4%	0.035	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	147.7	-175.8	-67.3	0	0	0	0	112.6	E23 I24 L32 A353	E23-S356 VanDerWaalsContact CG-CB 3.49Å; E23-S356 WeakPolarHBondContact OE1-CB 3.44Å; E23-S356 PolarHBondContact OE1-OG 3.42Å; I24-S356 CarbonylContact O-C 3.56Å; I24-S356 WeakPolarHBondContact O-CA 3.3Å; L32-S356 WeakPolarHBondContact CD1-O 3.37Å; A353-S356 PolarHBondContact N-O 3.14Å; A353-S356 CarbonylContact O-C 3.53Å; A353-S356 PolarHBondContact O-N 3.14Å
357	I	90.4	Very high	80.1	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	120.3	165.3	-55.1	169.5	0	0	0	108.1	E23 I24 L32 I35 I44 C46 A350 I351 L359	E23-I357 CarbonylContact C-O 3.59Å; E23-I357 WeakPolarHBondContact CA-O 3.44Å; I24-I357 HydrophobicContact CB-CB 4.17Å; I24-I357 PolarHBondContact N-O 2.85Å; I24-I357 PolarHBondContact O-N 3.2Å; L32-I357 HydrophobicContact CD1-CG1 3.79Å; I35-I357 HydrophobicContact CD1-CB 4.38Å; I35-I357 HydrophobicContact CD1-CD1 4.49Å; I35-I357 HydrophobicContact CD1-CG1 4.17Å; I35-I357 HydrophobicContact CD1-CG2 3.51Å; I44-I357 HydrophobicContact CG2-CD1 4.24Å; C46-I357 HydrophobicContact CB-CD1 4.02Å; C46-I357 HydrophobicContact CB-CG1 4.35Å; A350-I357 HydrophobicContact CB-CG2 4.29Å; I351-I357 CarbonylContact O-C 3.56Å; I351-I357 WeakPolarHBondContact O-CA 3.41Å; I357-L359 HydrophobicContact CG2-CD2 4.21Å
358	I	89.5	Confident	78.1	Confident	5 Å²	5	42.1 Å²	42.1	3%	0.026	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	124.9	178.8	-65.2	-179.9	0	0	0	109	F20 E23 I332 P333 A334 A350 I351 A353	F20-I358 HydrophobicContact CB-CG2 4.04Å; F20-I358 HydrophobicContact CD1-CB 4.46Å; F20-I358 HydrophobicContact CD1-CG2 2.96Å; F20-I358 HydrophobicContact CE1-CG2 3.5Å; F20-I358 VanDerWaalsContact CE1-CG2 3.5Å; F20-I358 HydrophobicContact CG-CG2 3.71Å; E23-I358 HydrophobicContact CG-CG1 4.42Å; I332-I358 HydrophobicContact CG2-CD1 3.91Å; P333-I358 HydrophobicContact CG-CD1 4.18Å; A334-I358 HydrophobicContact CB-CD1 4.47Å; A350-I358 CarbonylContact C-O 3.56Å; A350-I358 WeakPolarHBondContact CA-O 3.36Å; I351-I358 HydrophobicContact CB-CB 4.35Å; I351-I358 PolarHBondContact N-O 3.44Å; I351-I358 PolarHBondContact O-N 3.09Å; A353-I358 HydrophobicContact CB-CD1 3.64Å; A353-I358 HydrophobicContact CB-CG1 4.23Å
359	L	89.9	Confident	76	Confident	9 Å²	9	49.1 Å²	49.1	5%	0.047	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	119.4	174.8	-58.4	-179.4	0	0	0	110.5	Q21 Y22 W37 I44 L58 A350 I357	Q21-L359 PolarHBondContact N-O 2.75Å; Y22-L359 PolarHBondContact O-N 3.49Å; W37-L359 HydrophobicContact CH2-CD2 4.16Å; W37-L359 HydrophobicContact CZ3-CD2 4.02Å; I44-L359 HydrophobicContact CD1-CD2 3.98Å; L58-L359 HydrophobicContact CD1-CD1 3.84Å; L58-L359 HydrophobicContact CD2-CD1 4.45Å; A350-L359 HydrophobicContact CB-CD2 3.59Å; I357-L359 HydrophobicContact CG2-CD2 4.21Å
360	A	86.6	Confident	74.2	Confident	6 Å²	6	52.7 Å²	52.7	5%	0.05	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	116	178.6	0	0	0	0	0	110.3	F20 C348 L349	F20-A360 HydrophobicContact CD1-CB 4.15Å; F20-A360 HydrophobicContact CE1-CB 4.14Å; C348-A360 CarbonylContact C-O 3.58Å; C348-A360 WeakPolarHBondContact CA-O 3.46Å; L349-A360 PolarHBondContact N-O 3.5Å; L349-A360 PolarHBondContact O-N 3.45Å
361	N	82.8	Confident	72.8	Confident	79 Å²	79	59 Å²	59	42%	0.422	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	135	171.7	-73.7	-9.9	0	0	0	110.5	Q21 L347 C348	Q21-N361 PolarHBondContact OE1-ND2 2.56Å; L347-N361 CarbonylContact O-C 3.5Å; L347-N361 WeakPolarHBondContact O-CA 3.46Å; C348-N361 PolarHBondContact SG-OD1 3.38Å
362	I	77	Confident	71.8	Confident	18 Å²	18	60.7 Å²	60.7	9%	0.092	31%	0.309	C	S	.	.			trans	-113.7	116	-179.1	-64.8	159.3	0	0	0	106.7	V15 F319 W342 L347 L349	V15-I362 HydrophobicContact CG2-CG2 3.93Å; F319-I362 HydrophobicContact CD1-CD1 4.48Å; F319-I362 HydrophobicContact CE1-CD1 3.47Å; F319-I362 VanDerWaalsContact CE1-CD1 3.47Å; F319-I362 HydrophobicContact CE1-CG1 4.34Å; F319-I362 HydrophobicContact CZ-CD1 3.64Å; F319-I362 HydrophobicContact CZ-CG1 4.14Å; W342-I362 HydrophobicContact CE3-CD1 4.18Å; W342-I362 HydrophobicContact CH2-CD1 3.4Å; W342-I362 HydrophobicContact CZ3-CD1 3.16Å; W342-I362 HydrophobicContact CZ3-CG1 4.47Å; L347-I362 WeakPolarHBondContact CD2-O 3.27Å; L347-I362 PolarHBondContact O-N 3.17Å; L349-I362 HydrophobicContact CB-CD1 4.06Å
363	K	67.1	Low	71.2	Confident	160 Å²	160	65.7 Å²	65.7	70%	0.696	34%	0.335	S	S	*	.			trans	-111.6	121.7	176.8	-171.9	178.6	178.4	-175.5	0	108	E365	K363-E365 PolarHBondContact O-N 3.47Å
364	A	59.8	Low	70.8	Confident	26 Å²	26	67 Å²	67	22%	0.215	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	122.8	166.5	0	0	0	0	0	108.9	A13 Y366	A13-A364 HydrophobicContact CB-CB 3.65Å; A364-Y366 PolarHBondContact O-N 3.27Å
365	E	47.7	Very low	70.5	Confident	55 Å²	55	67.7 Å²	67.7	26%	0.257	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	113.6	161.2	-80.8	-172.6	145.6	0	0	108	S14 R16 K363	S14-E365 WeakPolarHBondContact CB-OE2 3.5Å; S14-E365 WeakPolarHBondContact O-CB 3.36Å; S14-E365 VanDerWaalsContact O-CG 3.24Å; S14-E365 WeakPolarHBondContact O-CG 3.41Å; S14-E365 PolarHBondContact O-N 3.18Å; S14-E365 WeakPolarHBondContact OG-CB 3.42Å; S14-E365 PolarHBondContact OG-OE2 3.04Å; R16-E365 HydrophobicContact CB-CG 4.16Å; R16-E365 WeakPolarHBondContact CB-OE1 3.25Å; R16-E365 WeakPolarHBondContact CD-OE1 3.48Å; R16-E365 WeakPolarHBondContact CG-OE1 3.29Å; R16-E365 IonicContact CZ-OE1 3.73Å; R16-E365 IonicContact NE-OE1 2.7Å; R16-E365 IonicContact NH1-OE1 3.87Å; K363-E365 PolarHBondContact O-N 3.47Å
366	Y	48.5	Very low	70	Confident	139 Å²	139	69.7 Å²	69.7	55%	0.545	37%	0.366	S	S	.	.			trans	-77.9	126.2	153.4	-57.1	-85.5	0	0	0	105	A364 T368	A364-Y366 PolarHBondContact O-N 3.27Å; Y366-T368 PolarHBondContact O-N 3.11Å
367	K	41.2	Very low	69.5	Low	176 Å²	176	75.9 Å²	75.9	77%	0.765	39%	0.394	S	S	*	.			trans	-61.8	82.3	164.4	-83	-178	177	174	0	108.4	D369	K367-D369 PolarHBondContact O-N 3.23Å
368	T	42	Very low	69	Low	123 Å²	123	84.4 Å²	84.4	76%	0.755	43%	0.431	S	S	*	.			trans	-87.2	61.4	165.4	55	0	0	0	0	107.8	Y366 Q370	Y366-T368 PolarHBondContact O-N 3.11Å; T368-Q370 VanDerWaalsContact C-N 3.29Å
369	D	42.4	Very low	68.6	Low	155 Å²	155	88.2 Å²	88.2	83%	0.829	45%	0.452	S	S	*	.			trans	-98.9	15.5	173.3	-142.6	20.1	0	0	0	111.4	K367	K367-D369 PolarHBondContact O-N 3.23Å
370	Q	53.6	Low	68.4	Low	75 Å²	75	92.5 Å²	92.5	35%	0.35	47%	0.47	S	S	.	.			trans	-109.2	118.2	175.4	-67.2	-174.9	6.8	0	0	108.2	T368 S372	T368-Q370 VanDerWaalsContact C-N 3.29Å; Q370-S372 PolarHBondContact O-N 3.01Å
371	D	64.1	Low	68.4	Low	132 Å²	132	92.5 Å²	92.5	71%	0.706	47%	0.469	S	S	*	.	S	Bend	trans	-56.5	11.6	155.9	-87.9	-24.8	0	0	0	112.1	K385 G386	D371-K385 CarbonylContact O-C 3.51Å; D371-K385 VanDerWaalsContact O-CA 3.28Å; D371-K385 WeakPolarHBondContact O-CA 3.23Å; D371-G386 PolarHBondContact O-N 3.05Å
372	S	71.9	Confident	68.5	Low	36 Å²	36	91 Å²	91	25%	0.252	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	129.2	-169.5	-41.2	0	0	0	0	110.6	Q370 F384 L402	Q370-S372 PolarHBondContact O-N 3.01Å; S372-F384 CarbonylContact C-O 3.57Å; S372-F384 WeakPolarHBondContact CA-O 3.47Å; S372-L402 WeakPolarHBondContact O-CD2 3.47Å
373	L	81.5	Confident	68.9	Low	106 Å²	106	90.7 Å²	90.7	56%	0.555	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.3	134.5	178	175.6	72.8	0	0	0	109.4	V375 I383 F384	L373-V375 HydrophobicContact CD2-CG2 3.69Å; L373-V375 HydrophobicContact CG-CG2 3.9Å; L373-I383 CarbonylContact O-C 3.49Å; L373-I383 WeakPolarHBondContact O-CA 3.38Å; L373-F384 HydrophobicContact CB-CB 4.29Å; L373-F384 PolarHBondContact N-O 3.48Å; L373-F384 PolarHBondContact O-N 3.26Å
374	A	81.4	Confident	69.6	Low	28 Å²	28	86 Å²	86	23%	0.231	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	129.9	169.8	0	0	0	0	0	110.4	I382 L402 L407	A374-I382 CarbonylContact C-O 3.5Å; A374-I382 WeakPolarHBondContact CA-O 3.26Å; A374-L402 HydrophobicContact CB-CD2 4.41Å; A374-L407 HydrophobicContact CB-CD1 3.31Å
375	V	83	Confident	70.4	Confident	63 Å²	63	89.3 Å²	89.3	38%	0.382	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	124.7	178.7	-175.8	0	0	0	0	109	L373 L381 I382 F384	L373-V375 HydrophobicContact CD2-CG2 3.69Å; L373-V375 HydrophobicContact CG-CG2 3.9Å; V375-L381 WeakPolarHBondContact O-CA 3.22Å; V375-I382 PolarHBondContact N-O 3.49Å; V375-I382 PolarHBondContact O-N 2.86Å; V375-F384 HydrophobicContact CB-CE2 4.06Å; V375-F384 HydrophobicContact CG2-CD2 3.99Å; V375-F384 HydrophobicContact CG2-CE2 3.72Å
376	S	80.3	Confident	71.7	Confident	68 Å²	68	88.7 Å²	88.7	48%	0.476	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	126.1	173.7	67.9	0	0	0	0	111.2	K380	S376-K380 CarbonylContact C-O 3.52Å; S376-K380 VanDerWaalsContact CA-O 3.27Å; S376-K380 WeakPolarHBondContact CA-O 3.21Å
377	E	79	Confident	73	Confident	134 Å²	134	89 Å²	89	63%	0.626	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122	108.9	169.2	-168.6	-168.4	172.1	0	0	109.6	N379 K380	E377-N379 PolarHBondContact O-N 3.36Å; E377-K380 PolarHBondContact N-O 3.01Å; E377-K380 WeakPolarHBondContact O-CB 3.24Å; E377-K380 PolarHBondContact O-N 3.27Å
378	K	79.2	Confident	74.8	Confident	180 Å²	180	86 Å²	86	78%	0.783	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	-99	-173.9	-59	175.9	-178.9	175.7	0	111.6
379	N	82.7	Confident	76.8	Confident	85 Å²	85	83 Å²	83	46%	0.455	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	11.6	-176.2	-52	9	0	0	0	110.9	E377 F394 I395 N396	E377-N379 PolarHBondContact O-N 3.36Å; N379-F394 CarbonylContact O-C 3.6Å; N379-F394 WeakPolarHBondContact O-CA 3.45Å; N379-I395 CarbonylContact C-O 3.56Å; N379-I395 WeakPolarHBondContact CA-O 3.44Å; N379-I395 PolarHBondContact O-N 3.14Å; N379-N396 VanDerWaalsContact CB-OD1 3.26Å; N379-N396 WeakPolarHBondContact CB-OD1 3.41Å; N379-N396 PolarHBondContact ND2-OD1 3.23Å; N379-N396 PolarHBondContact OD1-OD1 3.32Å
380	K	83.8	Confident	78.9	Confident	99 Å²	99	77.4 Å²	77.4	43%	0.43	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	125.8	179.1	-66.7	-179.4	178.2	-179.5	0	109	S376 E377 F394	S376-K380 CarbonylContact C-O 3.52Å; S376-K380 VanDerWaalsContact CA-O 3.27Å; S376-K380 WeakPolarHBondContact CA-O 3.21Å; E377-K380 PolarHBondContact N-O 3.01Å; E377-K380 WeakPolarHBondContact O-CB 3.24Å; E377-K380 PolarHBondContact O-N 3.27Å; K380-F394 HydrophobicContact CD-CE1 4.08Å; K380-F394 VanDerWaalsContact CE-CE1 3.47Å; K380-F394 HydrophobicContact CG-CD1 3.86Å; K380-F394 HydrophobicContact CG-CE1 3.62Å; K380-F394 HydrophobicContact CG-CZ 4.35Å
381	L	86.4	Confident	80.4	Confident	6 Å²	6	81.9 Å²	81.9	3%	0.031	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	128.3	173.5	-174.6	77.7	0	0	0	109.2	V375 P392 V393 I395 L407 I430	V375-L381 WeakPolarHBondContact O-CA 3.22Å; L381-P392 WeakPolarHBondContact O-CA 3.44Å; L381-V393 PolarHBondContact N-O 2.9Å; L381-V393 PolarHBondContact O-N 2.96Å; L381-I395 HydrophobicContact CB-CG2 3.75Å; L381-I395 HydrophobicContact CD2-CG2 4.14Å; L381-L407 HydrophobicContact CD1-CD1 4.44Å; L381-L407 HydrophobicContact CD2-CD1 3.87Å; L381-L407 HydrophobicContact CD2-CD2 3.53Å; L381-L407 HydrophobicContact CD2-CG 4.35Å; L381-L407 HydrophobicContact CG-CD1 4.46Å; L381-I430 HydrophobicContact CD2-CD1 3.49Å; L381-I430 VanDerWaalsContact CD2-CD1 3.49Å
382	I	85.1	Confident	81.5	Confident	48 Å²	48	78.6 Å²	78.6	25%	0.246	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	128	178.6	-57	172.7	0	0	0	108.4	A374 V375 F384 A389 P392	A374-I382 CarbonylContact C-O 3.5Å; A374-I382 WeakPolarHBondContact CA-O 3.26Å; V375-I382 PolarHBondContact N-O 3.49Å; V375-I382 PolarHBondContact O-N 2.86Å; I382-F384 HydrophobicContact CB-CE2 3.9Å; I382-F384 HydrophobicContact CB-CZ 4.4Å; I382-F384 HydrophobicContact CG2-CD2 3.99Å; I382-F384 HydrophobicContact CG2-CE1 4.35Å; I382-F384 HydrophobicContact CG2-CE2 3.47Å; I382-F384 VanDerWaalsContact CG2-CE2 3.47Å; I382-F384 HydrophobicContact CG2-CZ 3.67Å; I382-A389 HydrophobicContact CG2-CB 4.03Å; I382-P392 HydrophobicContact CD1-CB 4.49Å; I382-P392 HydrophobicContact CG1-CB 3.93Å
383	I	86.4	Confident	82.1	Confident	11 Å²	11	79.3 Å²	79.3	6%	0.056	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	126.2	172.1	-54	174.2	0	0	0	107.6	L373 Q390 L402 L407 I430	L373-I383 CarbonylContact O-C 3.49Å; L373-I383 WeakPolarHBondContact O-CA 3.38Å; I383-Q390 HydrophobicContact CB-CB 4.38Å; I383-Q390 VanDerWaalsContact O-CB 3.29Å; I383-Q390 WeakPolarHBondContact O-CB 3.42Å; I383-Q390 PolarHBondContact O-N 3.48Å; I383-L402 HydrophobicContact CG2-CD1 4.18Å; I383-L407 HydrophobicContact CD1-CB 3.82Å; I383-L407 HydrophobicContact CD1-CD1 4.09Å; I383-L407 HydrophobicContact CG1-CD1 4.01Å; I383-I430 HydrophobicContact CD1-CG2 3.97Å
384	F	81.7	Confident	82.3	Confident	60 Å²	60	81.3 Å²	81.3	26%	0.263	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	146	174.6	-66.9	-93.8	0	0	0	109.4	S372 L373 V375 I382 E388 A389	S372-F384 CarbonylContact C-O 3.57Å; S372-F384 WeakPolarHBondContact CA-O 3.47Å; L373-F384 HydrophobicContact CB-CB 4.29Å; L373-F384 PolarHBondContact N-O 3.48Å; L373-F384 PolarHBondContact O-N 3.26Å; V375-F384 HydrophobicContact CB-CE2 4.06Å; V375-F384 HydrophobicContact CG2-CD2 3.99Å; V375-F384 HydrophobicContact CG2-CE2 3.72Å; I382-F384 HydrophobicContact CB-CE2 3.9Å; I382-F384 HydrophobicContact CB-CZ 4.4Å; I382-F384 HydrophobicContact CG2-CD2 3.99Å; I382-F384 HydrophobicContact CG2-CE1 4.35Å; I382-F384 HydrophobicContact CG2-CE2 3.47Å; I382-F384 VanDerWaalsContact CG2-CE2 3.47Å; I382-F384 HydrophobicContact CG2-CZ 3.67Å; F384-E388 CarbonylContact C-O 3.5Å; F384-E388 VanDerWaalsContact CA-O 3.31Å; F384-E388 WeakPolarHBondContact CA-O 3.37Å; F384-A389 HydrophobicContact CD1-CB 3.91Å; F384-A389 HydrophobicContact CE1-CB 3.64Å; F384-A389 HydrophobicContact CZ-CB 4.29Å
385	K	77.1	Confident	82.2	Confident	96 Å²	96	80.7 Å²	80.7	42%	0.417	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	105.6	163.4	-171.8	178.5	174.7	179.8	0	107.9	D371 T387 E388 T434	D371-K385 CarbonylContact O-C 3.51Å; D371-K385 VanDerWaalsContact O-CA 3.28Å; D371-K385 WeakPolarHBondContact O-CA 3.23Å; K385-T387 PolarHBondContact O-N 3.12Å; K385-E388 PolarHBondContact N-O 3.19Å; K385-E388 PolarHBondContact O-N 2.96Å; K385-E388 VanDerWaalsContact O-N 3.13Å; K385-T434 HydrophobicContact CD-CG2 4.34Å
386	G	74.6	Confident	81.9	Confident	43 Å²	43	81.4 Å²	81.4	44%	0.443	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.1	-116.8	-168.1	0	0	0	0	0	110.3	D371	D371-G386 PolarHBondContact O-N 3.05Å
387	T	76.2	Confident	81.5	Confident	145 Å²	145	78.5 Å²	78.5	89%	0.89	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-6	176.7	52.4	0	0	0	0	113.4	K385	K385-T387 PolarHBondContact O-N 3.12Å
388	E	79.5	Confident	81.1	Confident	112 Å²	112	81.6 Å²	81.6	52%	0.523	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	127.4	-179.7	-64.5	-168.8	176	0	0	111.1	F384 K385 K433	F384-E388 CarbonylContact C-O 3.5Å; F384-E388 VanDerWaalsContact CA-O 3.31Å; F384-E388 WeakPolarHBondContact CA-O 3.37Å; K385-E388 PolarHBondContact N-O 3.19Å; K385-E388 PolarHBondContact O-N 2.96Å; K385-E388 VanDerWaalsContact O-N 3.13Å; E388-K433 IonicContact OE2-NZ 3.1Å; E388-K433 PolarHBondContact OE2-NZ 2.88Å
389	A	83.9	Confident	81.1	Confident	61 Å²	61	77.4 Å²	77.4	50%	0.504	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	132.7	172.5	0	0	0	0	0	110.5	I382 F384	I382-A389 HydrophobicContact CG2-CB 4.03Å; F384-A389 HydrophobicContact CD1-CB 3.91Å; F384-A389 HydrophobicContact CE1-CB 3.64Å; F384-A389 HydrophobicContact CZ-CB 4.29Å
390	Q	86.5	Confident	81	Confident	38 Å²	38	76 Å²	76	18%	0.178	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-73.2	158.8	165.9	-174	169.9	-21.9	0	0	110.4	I383 P431	I383-Q390 HydrophobicContact CB-CB 4.38Å; I383-Q390 VanDerWaalsContact O-CB 3.29Å; I383-Q390 WeakPolarHBondContact O-CB 3.42Å; I383-Q390 PolarHBondContact O-N 3.48Å; Q390-P431 PolarHBondContact NE2-O 2.89Å
391	E	85.4	Confident	81	Confident	169 Å²	169	77.4 Å²	77.4	79%	0.79	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-55.3	134	174.5	-70.4	-166.8	157.3	0	0	111.5	V393	E391-V393 PolarHBondContact O-N 3.37Å
392	P	85.5	Confident	80.7	Confident	63 Å²	63	79.1 Å²	79.1	41%	0.409	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-64.8	128	-177.2	22.8	-31.2	0	0	0	111.6	L381 I382	L381-P392 WeakPolarHBondContact O-CA 3.44Å; I382-P392 HydrophobicContact CD1-CB 4.49Å; I382-P392 HydrophobicContact CG1-CB 3.93Å
393	V	85.9	Confident	80.3	Confident	50 Å²	50	78.1 Å²	78.1	30%	0.303	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	129.1	173.1	-177.1	0	0	0	0	109.2	L381 E391 I395 I430	L381-V393 PolarHBondContact N-O 2.9Å; L381-V393 PolarHBondContact O-N 2.96Å; E391-V393 PolarHBondContact O-N 3.37Å; V393-I395 HydrophobicContact CG1-CB 4.48Å; V393-I395 PolarHBondContact O-N 2.85Å; V393-I430 HydrophobicContact CB-CD1 4.16Å; V393-I430 HydrophobicContact CG1-CD1 3.82Å; V393-I430 HydrophobicContact CG1-CG1 4.4Å; V393-I430 HydrophobicContact CG2-CD1 4.43Å; V393-I430 HydrophobicContact CG2-CG2 3.89Å
394	F	85.6	Confident	79.8	Confident	149 Å²	149	80.5 Å²	80.5	65%	0.654	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	100.3	178	-68.7	-91.9	0	0	0	110.1	N379 K380	N379-F394 CarbonylContact O-C 3.6Å; N379-F394 WeakPolarHBondContact O-CA 3.45Å; K380-F394 HydrophobicContact CD-CE1 4.08Å; K380-F394 VanDerWaalsContact CE-CE1 3.47Å; K380-F394 HydrophobicContact CG-CD1 3.86Å; K380-F394 HydrophobicContact CG-CE1 3.62Å; K380-F394 HydrophobicContact CG-CZ 4.35Å
395	I	79.1	Confident	79.7	Confident	15 Å²	15	78 Å²	78	8%	0.077	42%	0.418	C	S	.	.			trans	-140.4	137.9	-176.5	-168	172.1	0	0	0	111	N379 L381 V393 A397 A409 H411 A428 I430	N379-I395 CarbonylContact C-O 3.56Å; N379-I395 WeakPolarHBondContact CA-O 3.44Å; N379-I395 PolarHBondContact O-N 3.14Å; L381-I395 HydrophobicContact CB-CG2 3.75Å; L381-I395 HydrophobicContact CD2-CG2 4.14Å; V393-I395 HydrophobicContact CG1-CB 4.48Å; V393-I395 PolarHBondContact O-N 2.85Å; I395-A397 HydrophobicContact CD1-CB 3.96Å; I395-A397 HydrophobicContact CG1-CB 3.93Å; I395-A397 HydrophobicContact CG2-CB 4.32Å; I395-A397 PolarHBondContact O-N 3.26Å; I395-A409 HydrophobicContact CD1-CB 3.77Å; I395-H411 VanDerWaalsContact CG1-CE1 3.46Å; I395-H411 WeakPolarHBondContact CG1-CE1 3.38Å; I395-A428 HydrophobicContact CD1-CB 3.52Å; I395-I430 HydrophobicContact CD1-CD1 4.24Å; I395-I430 HydrophobicContact CG2-CD1 4.39Å
396	N	75.9	Confident	80.1	Confident	77 Å²	77	74.5 Å²	74.5	41%	0.412	41%	0.406	S	S	.	.			trans	-87.7	52.8	174	-73.7	-6.2	0	0	0	111.2	N379	N379-N396 VanDerWaalsContact CB-OD1 3.26Å; N379-N396 WeakPolarHBondContact CB-OD1 3.41Å; N379-N396 PolarHBondContact ND2-OD1 3.23Å; N379-N396 PolarHBondContact OD1-OD1 3.32Å
397	A	72	Confident	80.7	Confident	8 Å²	8	72.5 Å²	72.5	7%	0.066	39%	0.385	C	S	.	.			trans	-111.8	126.4	177.6	0	0	0	0	0	110.2	I395 A409 I410	I395-A397 HydrophobicContact CD1-CB 3.96Å; I395-A397 HydrophobicContact CG1-CB 3.93Å; I395-A397 HydrophobicContact CG2-CB 4.32Å; I395-A397 PolarHBondContact O-N 3.26Å; A397-A409 HydrophobicContact CB-CB 3.65Å; A397-I410 WeakPolarHBondContact CA-O 3.41Å; A397-I410 VanDerWaalsContact CB-O 3.29Å; A397-I410 WeakPolarHBondContact CB-O 3.5Å
398	R	70.9	Confident	81.2	Confident	198 Å²	198	71.1 Å²	71.1	75%	0.747	36%	0.363	S	S	*	.	S	Bend	trans	-101.3	-11.4	178.7	-65.1	-174.7	-177.3	171.5	5.9	113.5	L412	R398-L412 HydrophobicContact CB-CD1 4.37Å
399	I	80.1	Confident	81.5	Confident	92 Å²	92	65.8 Å²	65.8	47%	0.472	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	131.1	176.5	-61.3	-178.2	0	0	0	107.2	I410 L412	I399-I410 HydrophobicContact CB-CG2 3.74Å; I399-I410 HydrophobicContact CG2-CG2 4.19Å; I399-I410 PolarHBondContact O-N 2.81Å; I399-I410 VanDerWaalsContact O-N 3.11Å; I399-L412 HydrophobicContact CB-CD1 3.92Å; I399-L412 HydrophobicContact CD1-CD1 3.63Å; I399-L412 HydrophobicContact CD1-CD2 4.42Å; I399-L412 HydrophobicContact CG1-CD1 3.55Å
400	C	80	Confident	81.6	Confident	55 Å²	55	64.1 Å²	64.1	37%	0.372	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	155.4	175.5	59.3	0	0	0	0	111.1	L407 R408 A409	C400-L407 HydrophobicContact CB-CD1 4.31Å; C400-L407 HydrophobicContact CB-CD2 3.61Å; C400-L407 HydrophobicContact CB-CG 4.03Å; C400-R408 CarbonylContact C-O 3.55Å; C400-R408 WeakPolarHBondContact CA-O 3.38Å; C400-R408 WeakPolarHBondContact CB-O 3.42Å; C400-A409 HydrophobicContact CB-CB 4.3Å
401	E	83.3	Confident	81.3	Confident	129 Å²	129	64.4 Å²	64.4	60%	0.603	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.5	121.8	171.9	-178.5	176.6	-162.1	0	0	108.4	L407 R408	E401-L407 CarbonylContact O-C 3.56Å; E401-L407 VanDerWaalsContact O-CA 3.32Å; E401-L407 WeakPolarHBondContact O-CA 3.36Å; E401-R408 PolarHBondContact N-O 3.26Å; E401-R408 PolarHBondContact O-N 3.4Å
402	L	81.4	Confident	80.9	Confident	42 Å²	42	58.5 Å²	58.5	22%	0.22	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	105.4	178.7	179.8	63.4	0	0	0	109.2	S372 A374 I383 L407 T432	S372-L402 WeakPolarHBondContact O-CD2 3.47Å; A374-L402 HydrophobicContact CB-CD2 4.41Å; I383-L402 HydrophobicContact CG2-CD1 4.18Å; L402-L407 HydrophobicContact CD1-CB 4.01Å; L402-L407 HydrophobicContact CD1-CD1 4.16Å; L402-L407 HydrophobicContact CD1-CG 4.49Å; L402-T432 HydrophobicContact CD1-CG2 4.34Å
403	G	76.7	Confident	80.5	Confident	28 Å²	28	58.9 Å²	58.9	29%	0.289	30%	0.295	S	S	.	.			trans	-85	172.5	165.3	0	0	0	0	0	111.6	V405 S406	G403-V405 VanDerWaalsContact C-N 3.28Å; G403-V405 PolarHBondContact O-N 3.5Å; G403-S406 VanDerWaalsContact CA-O 3.32Å; G403-S406 WeakPolarHBondContact CA-O 3.44Å; G403-S406 PolarHBondContact N-O 3.19Å
404	T	74.1	Confident	80	Confident	60 Å²	60	60.2 Å²	60.2	37%	0.368	30%	0.3	S	S	.	.	S	Bend	trans	-63.9	-32.7	175.6	47.2	0	0	0	0	113.1	T432 T434 D459	T404-T432 PolarHBondContact O-OG1 3.1Å; T404-T434 PolarHBondContact O-OG1 3.25Å; T404-D459 WeakPolarHBondContact CB-OD2 3.23Å; T404-D459 PolarHBondContact OG1-OD2 3.45Å
405	V	79.8	Confident	79.5	Confident	7 Å²	7	55.6 Å²	55.6	4%	0.042	28%	0.282	C	S	.	.	S	Bend	trans	-111.3	-25.4	-169.7	-152.4	0	0	0	0	113	G403 T432 L435 D459 A461 L462 R465	G403-V405 VanDerWaalsContact C-N 3.28Å; G403-V405 PolarHBondContact O-N 3.5Å; V405-T432 WeakPolarHBondContact CA-OG1 3.15Å; V405-T432 PolarHBondContact O-N 2.97Å; V405-T432 VanDerWaalsContact O-N 3.14Å; V405-T432 PolarHBondContact O-OG1 3.48Å; V405-L435 HydrophobicContact CG1-CB 3.74Å; V405-L435 HydrophobicContact CG1-CD1 3.7Å; V405-L435 HydrophobicContact CG1-CD2 3.96Å; V405-L435 HydrophobicContact CG1-CG 3.96Å; V405-L435 WeakPolarHBondContact O-CB 3.38Å; V405-D459 WeakPolarHBondContact CG2-OD2 3.45Å; V405-A461 HydrophobicContact CG2-CB 3.43Å; V405-A461 VanDerWaalsContact CG2-CB 3.43Å; V405-L462 HydrophobicContact CG1-CB 4.42Å; V405-L462 HydrophobicContact CG1-CD1 3.93Å; V405-L462 HydrophobicContact CG2-CB 4.34Å; V405-R465 HydrophobicContact CG1-CB 4.35Å; V405-R465 HydrophobicContact CG1-CG 3.93Å
406	S	86.2	Confident	79.3	Confident	24 Å²	24	60.9 Å²	60.9	17%	0.168	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	148.3	178.5	55.7	0	0	0	0	111	G403 I430	G403-S406 VanDerWaalsContact CA-O 3.32Å; G403-S406 WeakPolarHBondContact CA-O 3.44Å; G403-S406 PolarHBondContact N-O 3.19Å; S406-I430 CarbonylContact C-O 3.59Å; S406-I430 VanDerWaalsContact CA-O 3.22Å; S406-I430 WeakPolarHBondContact CA-O 3.46Å; S406-I430 WeakPolarHBondContact CB-O 3.23Å
407	L	87	Confident	79.3	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	120.7	166	178.8	155.4	0	0	0	108.9	A374 L381 I383 C400 E401 L402 A409 I430	A374-L407 HydrophobicContact CB-CD1 3.31Å; L381-L407 HydrophobicContact CD1-CD1 4.44Å; L381-L407 HydrophobicContact CD2-CD1 3.87Å; L381-L407 HydrophobicContact CD2-CD2 3.53Å; L381-L407 HydrophobicContact CD2-CG 4.35Å; L381-L407 HydrophobicContact CG-CD1 4.46Å; I383-L407 HydrophobicContact CD1-CB 3.82Å; I383-L407 HydrophobicContact CD1-CD1 4.09Å; I383-L407 HydrophobicContact CG1-CD1 4.01Å; C400-L407 HydrophobicContact CB-CD1 4.31Å; C400-L407 HydrophobicContact CB-CD2 3.61Å; C400-L407 HydrophobicContact CB-CG 4.03Å; E401-L407 CarbonylContact O-C 3.56Å; E401-L407 VanDerWaalsContact O-CA 3.32Å; E401-L407 WeakPolarHBondContact O-CA 3.36Å; L402-L407 HydrophobicContact CD1-CB 4.01Å; L402-L407 HydrophobicContact CD1-CD1 4.16Å; L402-L407 HydrophobicContact CD1-CG 4.49Å; L407-A409 HydrophobicContact CD2-CB 3.82Å; L407-I430 HydrophobicContact CB-CB 4.44Å; L407-I430 HydrophobicContact CD2-CD1 4.22Å; L407-I430 PolarHBondContact N-O 3.35Å; L407-I430 PolarHBondContact O-N 2.71Å
408	R	86.6	Confident	79.1	Confident	116 Å²	116	67.7 Å²	67.7	44%	0.438	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	118.4	174	178.8	164.6	-74.1	171.5	-3.4	109.5	C400 E401 F427 D429	C400-R408 CarbonylContact C-O 3.55Å; C400-R408 WeakPolarHBondContact CA-O 3.38Å; C400-R408 WeakPolarHBondContact CB-O 3.42Å; E401-R408 PolarHBondContact N-O 3.26Å; E401-R408 PolarHBondContact O-N 3.4Å; R408-F427 HydrophobicContact CG-CB 4.49Å; R408-F427 HydrophobicContact CG-CD1 3.93Å; R408-D429 WeakPolarHBondContact CB-OD1 3.48Å; R408-D429 VanDerWaalsContact CG-OD1 3.3Å; R408-D429 WeakPolarHBondContact CG-OD1 3.29Å; R408-D429 IonicContact CZ-OD1 3.73Å; R408-D429 IonicContact CZ-OD2 3.83Å; R408-D429 IonicContact NE-OD1 3.38Å; R408-D429 PolarHBondContact NE-OD1 3.35Å; R408-D429 IonicContact NE-OD2 2.66Å; R408-D429 IonicContact NH2-OD1 3.48Å; R408-D429 IonicContact NH2-OD2 2.97Å; R408-D429 PolarHBondContact NH2-OD2 3.45Å
409	A	86.8	Confident	78.6	Confident	1 Å²	1	67.6 Å²	67.6	1%	0.008	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	149.2	-179.9	0	0	0	0	0	110.5	I395 A397 C400 L407 F427 A428	I395-A409 HydrophobicContact CD1-CB 3.77Å; A397-A409 HydrophobicContact CB-CB 3.65Å; C400-A409 HydrophobicContact CB-CB 4.3Å; L407-A409 HydrophobicContact CD2-CB 3.82Å; A409-F427 CarbonylContact O-C 3.59Å; A409-F427 VanDerWaalsContact O-CA 3.29Å; A409-F427 WeakPolarHBondContact O-CA 3.21Å; A409-A428 HydrophobicContact CB-CB 4.48Å; A409-A428 PolarHBondContact N-O 3.22Å; A409-A428 PolarHBondContact O-N 2.83Å
410	I	84.8	Confident	77.7	Confident	26 Å²	26	68.1 Å²	68.1	13%	0.133	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	131.7	176.9	-167.5	173.5	0	0	0	112.4	A397 I399 L412 L415 Y426 F427	A397-I410 WeakPolarHBondContact CA-O 3.41Å; A397-I410 VanDerWaalsContact CB-O 3.29Å; A397-I410 WeakPolarHBondContact CB-O 3.5Å; I399-I410 HydrophobicContact CB-CG2 3.74Å; I399-I410 HydrophobicContact CG2-CG2 4.19Å; I399-I410 PolarHBondContact O-N 2.81Å; I399-I410 VanDerWaalsContact O-N 3.11Å; I410-L412 HydrophobicContact CG2-CD1 3.88Å; I410-L412 HydrophobicContact CG2-CG 4.16Å; I410-L412 PolarHBondContact O-N 2.81Å; I410-L412 VanDerWaalsContact O-N 3.11Å; I410-L415 HydrophobicContact CD1-CD2 3.9Å; I410-Y426 CarbonylContact C-O 3.57Å; I410-Y426 WeakPolarHBondContact CA-O 3.48Å; I410-F427 HydrophobicContact CB-CD1 4.13Å; I410-F427 HydrophobicContact CB-CE1 4.13Å; I410-F427 HydrophobicContact CD1-CD1 4.41Å; I410-F427 HydrophobicContact CD1-CE1 3.74Å; I410-F427 HydrophobicContact CD1-CZ 3.92Å; I410-F427 HydrophobicContact CG1-CD1 4.23Å; I410-F427 HydrophobicContact CG1-CE1 4.06Å
411	H	80.9	Confident	76.6	Confident	43 Å²	43	69 Å²	69	20%	0.199	35%	0.353	C	S	.	.			trans	-79.6	79.5	172.2	-70.4	-85.9	0	0	0	110.6	I395 D413 D414 L415 Y426	I395-H411 VanDerWaalsContact CG1-CE1 3.46Å; I395-H411 WeakPolarHBondContact CG1-CE1 3.38Å; H411-D413 VanDerWaalsContact C-N 3.29Å; H411-D413 PolarHBondContact O-N 3.42Å; H411-D414 HydrophobicContact CB-CB 4.21Å; H411-D414 WeakPolarHBondContact CB-OD2 3.24Å; H411-D414 IonicContact CG-OD2 2.96Å; H411-D414 IonicContact ND1-OD2 3.26Å; H411-D414 PolarHBondContact O-N 3.19Å; H411-L415 PolarHBondContact O-N 3.23Å; H411-Y426 PolarHBondContact CD2-O 3.47Å; H411-Y426 PolarHBondContact N-O 3.12Å
412	L	76.3	Confident	75.5	Confident	45 Å²	45	68.3 Å²	68.3	24%	0.236	36%	0.358	C	S	.	.	H	α-helix	trans	-59.2	-37.7	-179.2	-88.2	130.4	0	0	0	113.5	R398 I399 I410 D414 L415 I416	R398-L412 HydrophobicContact CB-CD1 4.37Å; I399-L412 HydrophobicContact CB-CD1 3.92Å; I399-L412 HydrophobicContact CD1-CD1 3.63Å; I399-L412 HydrophobicContact CD1-CD2 4.42Å; I399-L412 HydrophobicContact CG1-CD1 3.55Å; I410-L412 HydrophobicContact CG2-CD1 3.88Å; I410-L412 HydrophobicContact CG2-CG 4.16Å; I410-L412 PolarHBondContact O-N 2.81Å; I410-L412 VanDerWaalsContact O-N 3.11Å; L412-D414 PolarHBondContact O-N 2.86Å; L412-L415 PolarHBondContact O-N 3.07Å; L412-I416 HydrophobicContact CB-CD1 4.4Å; L412-I416 HydrophobicContact CD2-CD1 4.39Å; L412-I416 WeakPolarHBondContact O-CB 3.31Å; L412-I416 WeakPolarHBondContact O-CD1 3.48Å; L412-I416 WeakPolarHBondContact O-CG1 3.17Å; L412-I416 PolarHBondContact O-N 2.81Å
413	D	77.3	Confident	74.4	Confident	71 Å²	71	72.9 Å²	72.9	38%	0.38	38%	0.376	S	S	.	.	H	α-helix	trans	-64.8	-32.6	-177.6	-64.1	-27.8	0	0	0	111.5	H411 Q417	H411-D413 VanDerWaalsContact C-N 3.29Å; H411-D413 PolarHBondContact O-N 3.42Å; D413-Q417 VanDerWaalsContact O-CG 3.28Å; D413-Q417 WeakPolarHBondContact O-CG 3.29Å; D413-Q417 PolarHBondContact O-N 3.01Å; D413-Q417 PolarHBondContact O-NE2 3.11Å
414	D	75	Confident	73.7	Confident	79 Å²	79	78.1 Å²	78.1	42%	0.422	40%	0.397	S	S	.	.	H	α-helix	trans	-79.4	-40.5	176.1	-58.9	-27.1	0	0	0	110.8	H411 L412 I416 Q417 D418 Y426	H411-D414 HydrophobicContact CB-CB 4.21Å; H411-D414 WeakPolarHBondContact CB-OD2 3.24Å; H411-D414 IonicContact CG-OD2 2.96Å; H411-D414 IonicContact ND1-OD2 3.26Å; H411-D414 PolarHBondContact O-N 3.19Å; L412-D414 PolarHBondContact O-N 2.86Å; D414-I416 VanDerWaalsContact C-N 3.28Å; D414-I416 PolarHBondContact O-N 3.03Å; D414-Q417 PolarHBondContact O-N 3.15Å; D414-D418 PolarHBondContact O-N 2.69Å; D414-Y426 HydrophobicContact CB-CD1 4.07Å; D414-Y426 HydrophobicContact CB-CE1 4.35Å
415	L	75	Confident	73.5	Confident	51 Å²	51	81.2 Å²	81.2	27%	0.267	41%	0.411	S	S	.	.	H	α-helix	trans	-60.1	-37.9	175.4	-174.4	77.6	0	0	0	112.2	I410 H411 L412 Q417 P421 Y426	I410-L415 HydrophobicContact CD1-CD2 3.9Å; H411-L415 PolarHBondContact O-N 3.23Å; L412-L415 PolarHBondContact O-N 3.07Å; L415-Q417 VanDerWaalsContact C-N 3.32Å; L415-P421 HydrophobicContact CD1-CB 3.52Å; L415-P421 HydrophobicContact CD1-CG 3.89Å; L415-Y426 HydrophobicContact CB-CD1 4.08Å; L415-Y426 HydrophobicContact CB-CG 4.27Å; L415-Y426 HydrophobicContact CD1-CD1 4.23Å; L415-Y426 HydrophobicContact CD1-CD2 3.63Å; L415-Y426 HydrophobicContact CD1-CE1 4.49Å; L415-Y426 HydrophobicContact CD1-CE2 3.95Å; L415-Y426 HydrophobicContact CD1-CG 3.8Å
416	I	76.1	Confident	73.4	Confident	127 Å²	127	81.9 Å²	81.9	65%	0.651	41%	0.413	S	S	*	.	H	α-helix	trans	-74.7	-24.6	-179.7	-68.6	164.1	0	0	0	111.5	L412 D414	L412-I416 HydrophobicContact CB-CD1 4.4Å; L412-I416 HydrophobicContact CD2-CD1 4.39Å; L412-I416 WeakPolarHBondContact O-CB 3.31Å; L412-I416 WeakPolarHBondContact O-CD1 3.48Å; L412-I416 WeakPolarHBondContact O-CG1 3.17Å; L412-I416 PolarHBondContact O-N 2.81Å; D414-I416 VanDerWaalsContact C-N 3.28Å; D414-I416 PolarHBondContact O-N 3.03Å
417	Q	74.9	Confident	73.2	Confident	145 Å²	145	85.3 Å²	85.3	68%	0.678	43%	0.425	S	S	*	.	H	α-helix	trans	-78	-31.9	178.6	-77.8	173.2	41.6	0	0	112.9	D413 D414 L415	D413-Q417 VanDerWaalsContact O-CG 3.28Å; D413-Q417 WeakPolarHBondContact O-CG 3.29Å; D413-Q417 PolarHBondContact O-N 3.01Å; D413-Q417 PolarHBondContact O-NE2 3.11Å; D414-Q417 PolarHBondContact O-N 3.15Å; L415-Q417 VanDerWaalsContact C-N 3.32Å
418	D	67.6	Low	73	Confident	82 Å²	82	86.5 Å²	86.5	44%	0.439	44%	0.435	S	S	.	.			trans	-84.6	117.5	178.5	-75.6	-26.6	0	0	0	110.7	D414 E420 Y426	D414-D418 PolarHBondContact O-N 2.69Å; D418-E420 PolarHBondContact O-N 3.2Å; D418-Y426 WeakPolarHBondContact OD2-CE1 3.47Å; D418-Y426 PolarHBondContact OD2-OH 2.84Å
419	E	60.5	Low	72.9	Confident	197 Å²	197	84.1 Å²	84.1	92%	0.921	43%	0.431	S	S	*	.	S	Bend	trans	-60.3	-27.4	177.4	-67.3	-176	159.3	0	0	112.6
420	E	60.7	Low	72.9	Confident	103 Å²	103	84.7 Å²	84.7	48%	0.481	43%	0.434	S	S	.	.	S	Bend	trans	-137.1	96.4	177.4	-68.8	-175.7	170.9	0	0	110.1	D418 V422	D418-E420 PolarHBondContact O-N 3.2Å; E420-V422 HydrophobicContact CB-CG2 4.35Å; E420-V422 WeakPolarHBondContact O-CG2 3.49Å; E420-V422 PolarHBondContact O-N 3.02Å
421	P	58.5	Low	73	Confident	72 Å²	72	86 Å²	86	47%	0.468	44%	0.444	S	S	.	.			trans	-73.2	90.8	178.5	27.7	-33	0	0	0	111	L415 Y426	L415-P421 HydrophobicContact CD1-CB 3.52Å; L415-P421 HydrophobicContact CD1-CG 3.89Å; P421-Y426 WeakPolarHBondContact CA-OH 3.45Å; P421-Y426 HydrophobicContact CB-CD2 4.18Å; P421-Y426 HydrophobicContact CB-CE2 3.36Å
422	V	59	Low	73.2	Confident	116 Å²	116	84.3 Å²	84.3	70%	0.703	44%	0.437	S	S	*	.			trans	-89.7	-7.7	-176.8	-140.5	0	0	0	0	113.5	E420	E420-V422 HydrophobicContact CB-CG2 4.35Å; E420-V422 WeakPolarHBondContact O-CG2 3.49Å; E420-V422 PolarHBondContact O-N 3.02Å
423	K	59.6	Low	73.5	Confident	138 Å²	138	86.3 Å²	86.3	60%	0.6	44%	0.443	S	S	*	.	S	Bend	trans	-120.9	142.2	-171.4	-65.3	-180	-179	173.7	0	111.4	N425 Y426	K423-N425 HydrophobicContact CB-CB 4.22Å; K423-N425 PolarHBondContact O-N 3.37Å; K423-Y426 WeakPolarHBondContact O-CD2 3.34Å; K423-Y426 WeakPolarHBondContact O-CE2 3.32Å
424	N	62.2	Low	73.8	Confident	138 Å²	138	83.8 Å²	83.8	74%	0.738	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-70.7	11.5	171.5	-75.6	-6	0	0	0	113.8	Y426 F427	N424-Y426 PolarHBondContact O-N 3.01Å; N424-F427 PolarHBondContact O-N 3.03Å
425	N	68.6	Low	74.2	Confident	125 Å²	125	80.6 Å²	80.6	67%	0.668	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-77	-5.6	-172.3	-66.8	9.8	0	0	0	113.8	K423 F427	K423-N425 HydrophobicContact CB-CB 4.22Å; K423-N425 PolarHBondContact O-N 3.37Å; N425-F427 VanDerWaalsContact C-N 3.27Å
426	Y	77.5	Confident	74.7	Confident	20 Å²	20	79.9 Å²	79.9	8%	0.078	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-79	-13.9	175.7	-48.1	-74.6	0	0	0	112.6	I410 H411 D414 L415 D418 P421 K423 N424	I410-Y426 CarbonylContact C-O 3.57Å; I410-Y426 WeakPolarHBondContact CA-O 3.48Å; H411-Y426 PolarHBondContact CD2-O 3.47Å; H411-Y426 PolarHBondContact N-O 3.12Å; D414-Y426 HydrophobicContact CB-CD1 4.07Å; D414-Y426 HydrophobicContact CB-CE1 4.35Å; L415-Y426 HydrophobicContact CB-CD1 4.08Å; L415-Y426 HydrophobicContact CB-CG 4.27Å; L415-Y426 HydrophobicContact CD1-CD1 4.23Å; L415-Y426 HydrophobicContact CD1-CD2 3.63Å; L415-Y426 HydrophobicContact CD1-CE1 4.49Å; L415-Y426 HydrophobicContact CD1-CE2 3.95Å; L415-Y426 HydrophobicContact CD1-CG 3.8Å; D418-Y426 WeakPolarHBondContact OD2-CE1 3.47Å; D418-Y426 PolarHBondContact OD2-OH 2.84Å; P421-Y426 WeakPolarHBondContact CA-OH 3.45Å; P421-Y426 HydrophobicContact CB-CD2 4.18Å; P421-Y426 HydrophobicContact CB-CE2 3.36Å; K423-Y426 WeakPolarHBondContact O-CD2 3.34Å; K423-Y426 WeakPolarHBondContact O-CE2 3.32Å; N424-Y426 PolarHBondContact O-N 3.01Å
427	F	82.1	Confident	75.1	Confident	97 Å²	97	76.9 Å²	76.9	43%	0.425	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	134.8	179.3	-63	-78.3	0	0	0	111	R408 A409 I410 N424 N425	R408-F427 HydrophobicContact CG-CB 4.49Å; R408-F427 HydrophobicContact CG-CD1 3.93Å; A409-F427 CarbonylContact O-C 3.59Å; A409-F427 VanDerWaalsContact O-CA 3.29Å; A409-F427 WeakPolarHBondContact O-CA 3.21Å; I410-F427 HydrophobicContact CB-CD1 4.13Å; I410-F427 HydrophobicContact CB-CE1 4.13Å; I410-F427 HydrophobicContact CD1-CD1 4.41Å; I410-F427 HydrophobicContact CD1-CE1 3.74Å; I410-F427 HydrophobicContact CD1-CZ 3.92Å; I410-F427 HydrophobicContact CG1-CD1 4.23Å; I410-F427 HydrophobicContact CG1-CE1 4.06Å; N424-F427 PolarHBondContact O-N 3.03Å; N425-F427 VanDerWaalsContact C-N 3.27Å
428	A	82.8	Confident	75.6	Confident	24 Å²	24	70 Å²	70	20%	0.198	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	115.3	171.4	0	0	0	0	0	108.9	I395 A409	I395-A428 HydrophobicContact CD1-CB 3.52Å; A409-A428 HydrophobicContact CB-CB 4.48Å; A409-A428 PolarHBondContact N-O 3.22Å; A409-A428 PolarHBondContact O-N 2.83Å
429	D	85.2	Confident	76.4	Confident	67 Å²	67	67.7 Å²	67.7	36%	0.358	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	110.1	175.2	-72.9	-18.1	0	0	0	109.3	R408	R408-D429 WeakPolarHBondContact CB-OD1 3.48Å; R408-D429 VanDerWaalsContact CG-OD1 3.3Å; R408-D429 WeakPolarHBondContact CG-OD1 3.29Å; R408-D429 IonicContact CZ-OD1 3.73Å; R408-D429 IonicContact CZ-OD2 3.83Å; R408-D429 IonicContact NE-OD1 3.38Å; R408-D429 PolarHBondContact NE-OD1 3.35Å; R408-D429 IonicContact NE-OD2 2.66Å; R408-D429 IonicContact NH2-OD1 3.48Å; R408-D429 IonicContact NH2-OD2 2.97Å; R408-D429 PolarHBondContact NH2-OD2 3.45Å
430	I	86.6	Confident	77.6	Confident	13 Å²	13	62.4 Å²	62.4	7%	0.067	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	119.7	-178.8	-63.5	169.9	0	0	0	108.6	L381 I383 V393 I395 S406 L407	L381-I430 HydrophobicContact CD2-CD1 3.49Å; L381-I430 VanDerWaalsContact CD2-CD1 3.49Å; I383-I430 HydrophobicContact CD1-CG2 3.97Å; V393-I430 HydrophobicContact CB-CD1 4.16Å; V393-I430 HydrophobicContact CG1-CD1 3.82Å; V393-I430 HydrophobicContact CG1-CG1 4.4Å; V393-I430 HydrophobicContact CG2-CD1 4.43Å; V393-I430 HydrophobicContact CG2-CG2 3.89Å; I395-I430 HydrophobicContact CD1-CD1 4.24Å; I395-I430 HydrophobicContact CG2-CD1 4.39Å; S406-I430 CarbonylContact C-O 3.59Å; S406-I430 VanDerWaalsContact CA-O 3.22Å; S406-I430 WeakPolarHBondContact CA-O 3.46Å; S406-I430 WeakPolarHBondContact CB-O 3.23Å; L407-I430 HydrophobicContact CB-CB 4.44Å; L407-I430 HydrophobicContact CD2-CD1 4.22Å; L407-I430 PolarHBondContact N-O 3.35Å; L407-I430 PolarHBondContact O-N 2.71Å
431	P	86.4	Confident	78.8	Confident	53 Å²	53	59.3 Å²	59.3	34%	0.344	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	136.1	-179.3	29.2	-35.6	0	0	0	110.8	Q390 L435	Q390-P431 PolarHBondContact NE2-O 2.89Å; P431-L435 HydrophobicContact CB-CB 4.34Å; P431-L435 HydrophobicContact CB-CD2 3.87Å; P431-L435 HydrophobicContact CB-CG 4.35Å
432	T	85.3	Confident	80.1	Confident	8 Å²	8	56.3 Å²	56.3	5%	0.049	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-73.5	157.6	169.4	55.9	0	0	0	0	109.8	L402 T404 V405 T434 L435 S436	L402-T432 HydrophobicContact CD1-CG2 4.34Å; T404-T432 PolarHBondContact O-OG1 3.1Å; V405-T432 WeakPolarHBondContact CA-OG1 3.15Å; V405-T432 PolarHBondContact O-N 2.97Å; V405-T432 VanDerWaalsContact O-N 3.14Å; V405-T432 PolarHBondContact O-OG1 3.48Å; T432-T434 PolarHBondContact O-N 2.83Å; T432-T434 VanDerWaalsContact O-N 3.12Å; T432-T434 PolarHBondContact OG1-OG1 3.43Å; T432-L435 PolarHBondContact O-N 2.81Å; T432-S436 PolarHBondContact O-N 3.23Å; T432-S436 PolarHBondContact O-OG 3.21Å
433	K	83.3	Confident	81.2	Confident	86 Å²	86	55.9 Å²	55.9	37%	0.374	29%	0.287	S	S	.	.	H	α-helix	trans	-50.9	-36.1	175.3	-171.5	175.6	175.4	-178.5	0	112.8	E388 L435 S436 D437	E388-K433 IonicContact OE2-NZ 3.1Å; E388-K433 PolarHBondContact OE2-NZ 2.88Å; K433-L435 VanDerWaalsContact C-N 3.34Å; K433-L435 PolarHBondContact O-N 2.89Å; K433-S436 PolarHBondContact O-N 3.48Å; K433-D437 WeakPolarHBondContact O-CB 3.02Å; K433-D437 PolarHBondContact O-N 3.34Å
434	T	82	Confident	82.4	Confident	18 Å²	18	52.9 Å²	52.9	11%	0.11	28%	0.283	C	S	.	.	H	α-helix	trans	-60.4	-40	175.4	39.8	0	0	0	0	113.3	K385 T404 T432 A438 Y453	K385-T434 HydrophobicContact CD-CG2 4.34Å; T404-T434 PolarHBondContact O-OG1 3.25Å; T432-T434 PolarHBondContact O-N 2.83Å; T432-T434 VanDerWaalsContact O-N 3.12Å; T432-T434 PolarHBondContact OG1-OG1 3.43Å; T434-A438 WeakPolarHBondContact O-CB 3.12Å; T434-A438 PolarHBondContact O-N 3.4Å; T434-Y453 WeakPolarHBondContact CA-OH 3.38Å; T434-Y453 PolarHBondContact O-OH 2.78Å
435	L	84.7	Confident	83.1	Confident	12 Å²	12	51.9 Å²	51.9	6%	0.063	28%	0.278	C	S	.	.	H	α-helix	trans	-72.5	-43.6	174.8	-178.2	58.5	0	0	0	111.7	V405 P431 T432 K433 D437 A438 I439 L462 R465	V405-L435 HydrophobicContact CG1-CB 3.74Å; V405-L435 HydrophobicContact CG1-CD1 3.7Å; V405-L435 HydrophobicContact CG1-CD2 3.96Å; V405-L435 HydrophobicContact CG1-CG 3.96Å; V405-L435 WeakPolarHBondContact O-CB 3.38Å; P431-L435 HydrophobicContact CB-CB 4.34Å; P431-L435 HydrophobicContact CB-CD2 3.87Å; P431-L435 HydrophobicContact CB-CG 4.35Å; T432-L435 PolarHBondContact O-N 2.81Å; K433-L435 VanDerWaalsContact C-N 3.34Å; K433-L435 PolarHBondContact O-N 2.89Å; L435-D437 PolarHBondContact O-N 3.03Å; L435-A438 PolarHBondContact O-N 3.39Å; L435-I439 HydrophobicContact CD1-CD1 3.89Å; L435-I439 HydrophobicContact CD1-CG1 4Å; L435-I439 HydrophobicContact CD2-CD1 4.21Å; L435-I439 HydrophobicContact CG-CD1 3.73Å; L435-I439 HydrophobicContact CG-CG1 4.25Å; L435-I439 WeakPolarHBondContact O-CG1 3.45Å; L435-I439 PolarHBondContact O-N 2.81Å; L435-L462 HydrophobicContact CD1-CD1 4.15Å; L435-R465 HydrophobicContact CD1-CB 3.57Å; L435-R465 HydrophobicContact CD1-CG 4.2Å; L435-R465 HydrophobicContact CD2-CG 4.45Å
436	S	85.1	Confident	83.6	Confident	36 Å²	36	49.1 Å²	49.1	25%	0.252	26%	0.263	S	S	.	.	H	α-helix	trans	-58.9	-46.5	180	-61.5	0	0	0	0	111.9	T432 K433 A438 I439 D440	T432-S436 PolarHBondContact O-N 3.23Å; T432-S436 PolarHBondContact O-OG 3.21Å; K433-S436 PolarHBondContact O-N 3.48Å; S436-A438 PolarHBondContact O-N 3.03Å; S436-I439 PolarHBondContact O-N 2.91Å; S436-D440 WeakPolarHBondContact O-CB 3.35Å; S436-D440 PolarHBondContact O-N 3.29Å
437	D	85.2	Confident	83.6	Confident	65 Å²	65	52 Å²	52	35%	0.348	28%	0.279	S	S	.	.	H	α-helix	trans	-61.4	-43.9	176.7	-66.6	-17	0	0	0	111.1	K433 L435 D440 L441 Y453	K433-D437 WeakPolarHBondContact O-CB 3.02Å; K433-D437 PolarHBondContact O-N 3.34Å; L435-D437 PolarHBondContact O-N 3.03Å; D437-D440 PolarHBondContact O-N 3.18Å; D437-L441 WeakPolarHBondContact O-CG 3.09Å; D437-L441 PolarHBondContact O-N 3.2Å; D437-Y453 HydrophobicContact CB-CE2 4.33Å
438	A	84.9	Confident	83.5	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-63.6	-42.9	177.6	0	0	0	0	0	112.3	T434 L435 S436 D440 L441 V442 Y453 L462 I466	T434-A438 WeakPolarHBondContact O-CB 3.12Å; T434-A438 PolarHBondContact O-N 3.4Å; L435-A438 PolarHBondContact O-N 3.39Å; S436-A438 PolarHBondContact O-N 3.03Å; A438-D440 VanDerWaalsContact C-N 3.32Å; A438-D440 PolarHBondContact O-N 3.21Å; A438-L441 PolarHBondContact O-N 2.93Å; A438-V442 WeakPolarHBondContact O-CG2 3.4Å; A438-V442 PolarHBondContact O-N 2.82Å; A438-Y453 HydrophobicContact CB-CD1 4.15Å; A438-Y453 HydrophobicContact CB-CE1 3.95Å; A438-L462 HydrophobicContact CB-CD1 3.98Å; A438-I466 HydrophobicContact CB-CD1 3.87Å; A438-I466 HydrophobicContact CB-CG1 3.99Å
439	I	84.7	Confident	83.6	Confident	34 Å²	34	57 Å²	57	17%	0.174	30%	0.302	C	S	.	.	H	α-helix	trans	-63.1	-41.4	175.9	-70.6	172.5	0	0	0	110.1	L435 S436 L441 V442 K443 E469	L435-I439 HydrophobicContact CD1-CD1 3.89Å; L435-I439 HydrophobicContact CD1-CG1 4Å; L435-I439 HydrophobicContact CD2-CD1 4.21Å; L435-I439 HydrophobicContact CG-CD1 3.73Å; L435-I439 HydrophobicContact CG-CG1 4.25Å; L435-I439 WeakPolarHBondContact O-CG1 3.45Å; L435-I439 PolarHBondContact O-N 2.81Å; S436-I439 PolarHBondContact O-N 2.91Å; I439-L441 VanDerWaalsContact C-N 3.33Å; I439-L441 PolarHBondContact O-N 3.46Å; I439-V442 CarbonylContact O-C 3.45Å; I439-V442 WeakPolarHBondContact O-CA 3.3Å; I439-V442 WeakPolarHBondContact O-CB 3.25Å; I439-V442 PolarHBondContact O-N 2.96Å; I439-V442 VanDerWaalsContact O-N 3.12Å; I439-K443 HydrophobicContact CG2-CG 4.18Å; I439-K443 WeakPolarHBondContact O-CG 3.38Å; I439-K443 PolarHBondContact O-N 2.91Å; I439-E469 HydrophobicContact CG1-CG 4.45Å; I439-E469 HydrophobicContact CG2-CG 4.25Å
440	D	85.9	Confident	83.5	Confident	85 Å²	85	54 Å²	54	46%	0.455	29%	0.286	S	S	.	.	H	α-helix	trans	-65.9	-33.2	178.3	-74.2	-14.3	0	0	0	113.1	S436 D437 A438 K443 S444	S436-D440 WeakPolarHBondContact O-CB 3.35Å; S436-D440 PolarHBondContact O-N 3.29Å; D437-D440 PolarHBondContact O-N 3.18Å; A438-D440 VanDerWaalsContact C-N 3.32Å; A438-D440 PolarHBondContact O-N 3.21Å; D440-K443 WeakPolarHBondContact O-CA 3.41Å; D440-K443 WeakPolarHBondContact O-CB 3.47Å; D440-K443 PolarHBondContact O-N 3.31Å; D440-K443 VanDerWaalsContact O-N 3.16Å; D440-K443 IonicContact OD1-NZ 2.71Å; D440-K443 PolarHBondContact OD1-NZ 3Å; D440-S444 PolarHBondContact O-N 3.45Å; D440-S444 PolarHBondContact O-OG 2.92Å
441	L	85.7	Confident	83.3	Confident	39 Å²	39	57.2 Å²	57.2	20%	0.204	30%	0.301	C	S	.	.	H	α-helix	trans	-66.4	-37.9	168.8	-70	172.1	0	0	0	112.7	D437 A438 I439 K443 S444 N445 L450 Y453	D437-L441 WeakPolarHBondContact O-CG 3.09Å; D437-L441 PolarHBondContact O-N 3.2Å; A438-L441 PolarHBondContact O-N 2.93Å; I439-L441 VanDerWaalsContact C-N 3.33Å; I439-L441 PolarHBondContact O-N 3.46Å; L441-K443 VanDerWaalsContact C-N 3.28Å; L441-S444 PolarHBondContact O-N 3.38Å; L441-S444 PolarHBondContact O-OG 3.42Å; L441-N445 PolarHBondContact O-N 3.16Å; L441-L450 HydrophobicContact CB-CB 4.34Å; L441-L450 HydrophobicContact CB-CD1 3.94Å; L441-Y453 HydrophobicContact CD1-CD1 4.47Å; L441-Y453 HydrophobicContact CD1-CD2 4.11Å; L441-Y453 HydrophobicContact CD1-CG 3.89Å
442	V	84.4	Confident	83.2	Confident	8 Å²	8	62.6 Å²	62.6	5%	0.048	32%	0.315	C	S	.	.	H	α-helix	trans	-65.3	-35.4	169.7	179	0	0	0	0	110.4	A438 I439 N445 L450 I466 E469 R473 L478	A438-V442 WeakPolarHBondContact O-CG2 3.4Å; A438-V442 PolarHBondContact O-N 2.82Å; I439-V442 CarbonylContact O-C 3.45Å; I439-V442 WeakPolarHBondContact O-CA 3.3Å; I439-V442 WeakPolarHBondContact O-CB 3.25Å; I439-V442 PolarHBondContact O-N 2.96Å; I439-V442 VanDerWaalsContact O-N 3.12Å; V442-N445 PolarHBondContact O-N 3.37Å; V442-L450 HydrophobicContact CG2-CD1 3.95Å; V442-L450 HydrophobicContact CG2-CD2 3.79Å; V442-I466 HydrophobicContact CG2-CG2 3.67Å; V442-E469 HydrophobicContact CG1-CG 4.11Å; V442-R473 PolarHBondContact O-NH1 2.86Å; V442-L478 HydrophobicContact CG1-CD2 4.42Å; V442-L478 HydrophobicContact CG2-CD2 4.5Å
443	K	84	Confident	83.1	Confident	107 Å²	107	64.1 Å²	64.1	47%	0.465	32%	0.32	S	S	.	.	H	α-helix	trans	-65.6	-39.1	177.8	-52.7	-143.6	-171.2	91.3	0	113.3	I439 D440 L441 N445 R473	I439-K443 HydrophobicContact CG2-CG 4.18Å; I439-K443 WeakPolarHBondContact O-CG 3.38Å; I439-K443 PolarHBondContact O-N 2.91Å; D440-K443 WeakPolarHBondContact O-CA 3.41Å; D440-K443 WeakPolarHBondContact O-CB 3.47Å; D440-K443 PolarHBondContact O-N 3.31Å; D440-K443 VanDerWaalsContact O-N 3.16Å; D440-K443 IonicContact OD1-NZ 2.71Å; D440-K443 PolarHBondContact OD1-NZ 3Å; L441-K443 VanDerWaalsContact C-N 3.28Å; K443-N445 VanDerWaalsContact C-N 3.26Å; K443-N445 PolarHBondContact O-N 2.85Å; K443-R473 VanDerWaalsContact CA-NH1 3.34Å; K443-R473 VanDerWaalsContact CD-NH2 3.27Å
444	S	83.9	Confident	83	Confident	75 Å²	75	60.3 Å²	60.3	52%	0.524	30%	0.303	S	S	.	.	H	α-helix	trans	-78.8	-7.4	-178.3	66.5	0	0	0	0	113.9	D440 L441 D446	D440-S444 PolarHBondContact O-N 3.45Å; D440-S444 PolarHBondContact O-OG 2.92Å; L441-S444 PolarHBondContact O-N 3.38Å; L441-S444 PolarHBondContact O-OG 3.42Å; S444-D446 PolarHBondContact O-N 2.86Å
445	N	76.1	Confident	83	Confident	117 Å²	117	65.8 Å²	65.8	63%	0.626	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	25.7	-177	-146.4	21.7	0	0	0	113.7	L441 V442 K443 I447	L441-N445 PolarHBondContact O-N 3.16Å; V442-N445 PolarHBondContact O-N 3.37Å; K443-N445 VanDerWaalsContact C-N 3.26Å; K443-N445 PolarHBondContact O-N 2.85Å; N445-I447 PolarHBondContact O-N 3.38Å
446	D	80	Confident	82.8	Confident	67 Å²	67	71 Å²	71	36%	0.358	35%	0.352	S	S	.	.			trans	-91.3	82.3	176.8	-173.5	-0.9	0	0	0	111.2	S444 K448 S449 L450	S444-D446 PolarHBondContact O-N 2.86Å; D446-K448 PolarHBondContact O-N 3.44Å; D446-K448 PolarHBondContact OD1-N 3.33Å; D446-S449 VanDerWaalsContact CG-OG 3.26Å; D446-S449 PolarHBondContact O-N 2.82Å; D446-S449 PolarHBondContact OD1-N 2.96Å; D446-S449 WeakPolarHBondContact OD2-CB 3.17Å; D446-S449 PolarHBondContact OD2-OG 3.16Å; D446-L450 PolarHBondContact O-N 3.24Å
447	I	77.4	Confident	82.2	Confident	81 Å²	81	71.3 Å²	71.3	42%	0.415	35%	0.351	S	S	.	.	H	α-helix	trans	-58	-34.9	-177.2	-58.4	172.3	0	0	0	111.9	N445 L450 Q451	N445-I447 PolarHBondContact O-N 3.38Å; I447-L450 PolarHBondContact O-N 2.76Å; I447-Q451 HydrophobicContact CG2-CG 4.35Å; I447-Q451 WeakPolarHBondContact O-CB 3.5Å; I447-Q451 WeakPolarHBondContact O-CG 3.04Å; I447-Q451 PolarHBondContact O-N 3.05Å
448	K	80.9	Confident	81.6	Confident	176 Å²	176	75.9 Å²	75.9	77%	0.765	37%	0.37	S	S	*	.	H	α-helix	trans	-70.7	-44.5	-176.8	-70.4	-176.6	-179.9	178.5	0	111.6	D446 L450 R452	D446-K448 PolarHBondContact O-N 3.44Å; D446-K448 PolarHBondContact OD1-N 3.33Å; K448-L450 VanDerWaalsContact C-N 3.33Å; K448-R452 PolarHBondContact O-N 3.37Å
449	S	83.6	Confident	81.2	Confident	50 Å²	50	77.7 Å²	77.7	35%	0.35	38%	0.38	S	S	.	.	H	α-helix	trans	-66.9	-37.3	176.2	-63.6	0	0	0	0	111.2	D446 Y453	D446-S449 VanDerWaalsContact CG-OG 3.26Å; D446-S449 PolarHBondContact O-N 2.82Å; D446-S449 PolarHBondContact OD1-N 2.96Å; D446-S449 WeakPolarHBondContact OD2-CB 3.17Å; D446-S449 PolarHBondContact OD2-OG 3.16Å; S449-Y453 WeakPolarHBondContact O-CB 3.39Å; S449-Y453 PolarHBondContact O-N 2.92Å
450	L	83.7	Confident	81.2	Confident	4 Å²	4	79.5 Å²	79.5	2%	0.021	39%	0.394	C	S	.	.	H	α-helix	trans	-63.2	-47.5	174.9	-175.5	68.3	0	0	0	112.4	L441 V442 D446 I447 K448 R452 Y453 V454 I466 L478	L441-L450 HydrophobicContact CB-CB 4.34Å; L441-L450 HydrophobicContact CB-CD1 3.94Å; V442-L450 HydrophobicContact CG2-CD1 3.95Å; V442-L450 HydrophobicContact CG2-CD2 3.79Å; D446-L450 PolarHBondContact O-N 3.24Å; I447-L450 PolarHBondContact O-N 2.76Å; K448-L450 VanDerWaalsContact C-N 3.33Å; L450-R452 VanDerWaalsContact C-N 3.33Å; L450-R452 PolarHBondContact O-N 2.84Å; L450-Y453 PolarHBondContact O-N 3.32Å; L450-Y453 VanDerWaalsContact O-N 3.17Å; L450-V454 HydrophobicContact CD1-CG2 4.39Å; L450-V454 HydrophobicContact CG-CG2 4.44Å; L450-V454 WeakPolarHBondContact O-CB 3.42Å; L450-V454 VanDerWaalsContact O-CG2 3.29Å; L450-V454 WeakPolarHBondContact O-CG2 3.35Å; L450-V454 PolarHBondContact O-N 3.06Å; L450-I466 HydrophobicContact CD1-CD1 4.26Å; L450-I466 HydrophobicContact CD1-CG2 4.19Å; L450-I466 HydrophobicContact CD2-CG2 4.11Å; L450-L478 HydrophobicContact CD2-CD1 3.98Å; L450-L478 HydrophobicContact CD2-CD2 3.82Å
451	Q	81.8	Confident	81	Confident	81 Å²	81	77.3 Å²	77.3	38%	0.379	39%	0.387	S	S	.	.	H	α-helix	trans	-58.4	-45.8	178.2	-79.2	177.8	-19.6	0	0	111.6	I447 Y453 V454 E455	I447-Q451 HydrophobicContact CG2-CG 4.35Å; I447-Q451 WeakPolarHBondContact O-CB 3.5Å; I447-Q451 WeakPolarHBondContact O-CG 3.04Å; I447-Q451 PolarHBondContact O-N 3.05Å; Q451-Y453 PolarHBondContact O-N 3.02Å; Q451-V454 PolarHBondContact O-N 3.09Å; Q451-E455 WeakPolarHBondContact O-CG 3.34Å; Q451-E455 PolarHBondContact O-N 3.46Å
452	R	84.1	Confident	81	Confident	166 Å²	166	75.6 Å²	75.6	63%	0.626	38%	0.378	S	S	*	.	H	α-helix	trans	-61.1	-43.4	175.6	-173.5	178.5	175.9	163.7	4.9	112.1	K448 L450 V454 E455 E456	K448-R452 PolarHBondContact O-N 3.37Å; L450-R452 VanDerWaalsContact C-N 3.33Å; L450-R452 PolarHBondContact O-N 2.84Å; R452-V454 VanDerWaalsContact C-N 3.32Å; R452-V454 PolarHBondContact O-N 3.04Å; R452-E455 PolarHBondContact O-N 2.87Å; R452-E456 WeakPolarHBondContact CG-OE1 3.27Å; R452-E456 IonicContact CZ-OE1 3.81Å; R452-E456 IonicContact NE-OE1 3.77Å; R452-E456 PolarHBondContact NE-OE1 2.9Å; R452-E456 VanDerWaalsContact NE-OE1 3.08Å; R452-E456 IonicContact NH2-OE1 2.72Å; R452-E456 WeakPolarHBondContact O-CB 3.43Å; R452-E456 VanDerWaalsContact O-CG 3.32Å; R452-E456 WeakPolarHBondContact O-CG 3.29Å; R452-E456 PolarHBondContact O-N 3.48Å
453	Y	84.4	Confident	81.1	Confident	39 Å²	39	77.5 Å²	77.5	15%	0.153	39%	0.385	C	S	.	.	H	α-helix	trans	-63.8	-36.8	178.8	-166	-92.7	0	0	0	112.9	T434 D437 A438 L441 S449 L450 Q451 N457 L462	T434-Y453 WeakPolarHBondContact CA-OH 3.38Å; T434-Y453 PolarHBondContact O-OH 2.78Å; D437-Y453 HydrophobicContact CB-CE2 4.33Å; A438-Y453 HydrophobicContact CB-CD1 4.15Å; A438-Y453 HydrophobicContact CB-CE1 3.95Å; L441-Y453 HydrophobicContact CD1-CD1 4.47Å; L441-Y453 HydrophobicContact CD1-CD2 4.11Å; L441-Y453 HydrophobicContact CD1-CG 3.89Å; S449-Y453 WeakPolarHBondContact O-CB 3.39Å; S449-Y453 PolarHBondContact O-N 2.92Å; L450-Y453 PolarHBondContact O-N 3.32Å; L450-Y453 VanDerWaalsContact O-N 3.17Å; Q451-Y453 PolarHBondContact O-N 3.02Å; Y453-N457 WeakPolarHBondContact CE1-ND2 3.42Å; Y453-N457 PolarHBondContact O-N 3.35Å; Y453-N457 PolarHBondContact O-ND2 3.21Å; Y453-L462 HydrophobicContact CE1-CD2 4.3Å
454	V	81.2	Confident	81.3	Confident	6 Å²	6	77.9 Å²	77.9	4%	0.036	38%	0.383	C	S	.	.	H	α-helix	trans	-75	-29.8	177.3	171.1	0	0	0	0	112.7	L450 Q451 R452 N457 R463 I466	L450-V454 HydrophobicContact CD1-CG2 4.39Å; L450-V454 HydrophobicContact CG-CG2 4.44Å; L450-V454 WeakPolarHBondContact O-CB 3.42Å; L450-V454 VanDerWaalsContact O-CG2 3.29Å; L450-V454 WeakPolarHBondContact O-CG2 3.35Å; L450-V454 PolarHBondContact O-N 3.06Å; Q451-V454 PolarHBondContact O-N 3.09Å; R452-V454 VanDerWaalsContact C-N 3.32Å; R452-V454 PolarHBondContact O-N 3.04Å; V454-N457 CarbonylContact O-C 3.4Å; V454-R463 HydrophobicContact CG1-CG 3.56Å; V454-I466 HydrophobicContact CG2-CD1 3.5Å
455	E	80.5	Confident	81.4	Confident	133 Å²	133	78 Å²	78	62%	0.621	37%	0.372	S	S	*	.	H	α-helix	trans	-73	-38.3	172.3	-75.2	174.3	-176.8	0	0	111.6	Q451 R452 Q458	Q451-E455 WeakPolarHBondContact O-CG 3.34Å; Q451-E455 PolarHBondContact O-N 3.46Å; R452-E455 PolarHBondContact O-N 2.87Å; E455-Q458 WeakPolarHBondContact O-CG 3.45Å
456	E	81.5	Confident	81.9	Confident	122 Å²	122	72.4 Å²	72.4	57%	0.57	34%	0.342	S	S	*	.	H	α-helix	trans	-68	-41.9	176.1	-74	173.7	-171.8	0	0	111.8	R452	R452-E456 WeakPolarHBondContact CG-OE1 3.27Å; R452-E456 IonicContact CZ-OE1 3.81Å; R452-E456 IonicContact NE-OE1 3.77Å; R452-E456 PolarHBondContact NE-OE1 2.9Å; R452-E456 VanDerWaalsContact NE-OE1 3.08Å; R452-E456 IonicContact NH2-OE1 2.72Å; R452-E456 WeakPolarHBondContact O-CB 3.43Å; R452-E456 VanDerWaalsContact O-CG 3.32Å; R452-E456 WeakPolarHBondContact O-CG 3.29Å; R452-E456 PolarHBondContact O-N 3.48Å
457	N	71.6	Confident	82.4	Confident	42 Å²	42	69.2 Å²	69.2	23%	0.225	33%	0.325	C	S	.	.	S	Bend	trans	-98.9	90.2	175.5	-63	-81.4	0	0	0	109.9	Y453 V454 D459 L462	Y453-N457 WeakPolarHBondContact CE1-ND2 3.42Å; Y453-N457 PolarHBondContact O-N 3.35Å; Y453-N457 PolarHBondContact O-ND2 3.21Å; V454-N457 CarbonylContact O-C 3.4Å; N457-D459 PolarHBondContact O-N 3.48Å; N457-L462 HydrophobicContact CB-CD2 3.57Å
458	Q	72.5	Confident	82.9	Confident	162 Å²	162	67.2 Å²	67.2	76%	0.757	31%	0.314	S	S	*	.			trans	-72	39.2	-179	-60.1	-174.5	3	0	0	114.2	E455	E455-Q458 WeakPolarHBondContact O-CG 3.45Å
459	D	78.3	Confident	83.2	Confident	37 Å²	37	60.6 Å²	60.6	20%	0.198	29%	0.286	C	S	.	.			trans	-98.8	116.8	-177.5	-175.1	-0.9	0	0	0	111.6	T404 V405 N457 A461 L462 R463	T404-D459 WeakPolarHBondContact CB-OD2 3.23Å; T404-D459 PolarHBondContact OG1-OD2 3.45Å; V405-D459 WeakPolarHBondContact CG2-OD2 3.45Å; N457-D459 PolarHBondContact O-N 3.48Å; D459-A461 VanDerWaalsContact C-N 3.26Å; D459-A461 PolarHBondContact O-N 3.24Å; D459-A461 WeakPolarHBondContact OD1-CB 3.48Å; D459-A461 PolarHBondContact OD1-N 2.89Å; D459-L462 HydrophobicContact CB-CB 4Å; D459-L462 PolarHBondContact O-N 3.39Å; D459-R463 PolarHBondContact O-N 3.34Å
460	P	83.4	Confident	83.5	Confident	73 Å²	73	58.2 Å²	58.2	47%	0.474	27%	0.269	S	S	.	.	H	α-helix	trans	-57.3	-35.4	174	-23	33.2	0	0	0	113.6	L462 R463 R464 L486	P460-L462 VanDerWaalsContact C-N 3.34Å; P460-L462 PolarHBondContact O-N 2.83Å; P460-R463 PolarHBondContact O-N 3.5Å; P460-R464 PolarHBondContact O-N 2.86Å; P460-L486 HydrophobicContact CB-CD2 3.89Å; P460-L486 WeakPolarHBondContact O-CD2 3.36Å
461	A	81.6	Confident	83.8	Confident	38 Å²	38	58 Å²	58	31%	0.314	27%	0.268	S	S	.	.	H	α-helix	trans	-67.5	-38.4	-179	0	0	0	0	0	111.2	V405 D459 R464 R465	V405-A461 HydrophobicContact CG2-CB 3.43Å; V405-A461 VanDerWaalsContact CG2-CB 3.43Å; D459-A461 VanDerWaalsContact C-N 3.26Å; D459-A461 PolarHBondContact O-N 3.24Å; D459-A461 WeakPolarHBondContact OD1-CB 3.48Å; D459-A461 PolarHBondContact OD1-N 2.89Å; A461-R464 PolarHBondContact O-N 3.27Å; A461-R465 PolarHBondContact O-N 3.48Å; A461-R465 VanDerWaalsContact O-N 3.12Å
462	L	85.2	Confident	84.1	Confident	4 Å²	4	58.2 Å²	58.2	2%	0.021	27%	0.265	C	S	.	.	H	α-helix	trans	-62.4	-48.7	175.3	179.8	65.8	0	0	0	110.8	V405 L435 A438 Y453 N457 D459 P460 R464 R465 I466	V405-L462 HydrophobicContact CG1-CB 4.42Å; V405-L462 HydrophobicContact CG1-CD1 3.93Å; V405-L462 HydrophobicContact CG2-CB 4.34Å; L435-L462 HydrophobicContact CD1-CD1 4.15Å; A438-L462 HydrophobicContact CB-CD1 3.98Å; Y453-L462 HydrophobicContact CE1-CD2 4.3Å; N457-L462 HydrophobicContact CB-CD2 3.57Å; D459-L462 HydrophobicContact CB-CB 4Å; D459-L462 PolarHBondContact O-N 3.39Å; P460-L462 VanDerWaalsContact C-N 3.34Å; P460-L462 PolarHBondContact O-N 2.83Å; L462-R464 VanDerWaalsContact C-N 3.28Å; L462-R464 PolarHBondContact O-N 3.48Å; L462-R465 PolarHBondContact O-N 3.35Å; L462-I466 HydrophobicContact CD1-CD1 4.28Å; L462-I466 HydrophobicContact CG-CD1 3.94Å; L462-I466 VanDerWaalsContact O-CG1 3.29Å; L462-I466 WeakPolarHBondContact O-CG1 3.41Å; L462-I466 PolarHBondContact O-N 3.32Å
463	R	87.4	Confident	84.2	Confident	48 Å²	48	55.2 Å²	55.2	18%	0.181	25%	0.254	C	S	.	.	H	α-helix	trans	-57.8	-40.8	177.4	-73.9	-176.8	-163.9	136.4	8.7	112.4	V454 D459 P460 I466 A467 L486	V454-R463 HydrophobicContact CG1-CG 3.56Å; D459-R463 PolarHBondContact O-N 3.34Å; P460-R463 PolarHBondContact O-N 3.5Å; R463-I466 PolarHBondContact O-N 2.97Å; R463-A467 PolarHBondContact O-N 2.85Å; R463-L486 HydrophobicContact CB-CD1 3.95Å; R463-L486 HydrophobicContact CB-CD2 3.8Å; R463-L486 HydrophobicContact CB-CG 3.92Å
464	R	87.5	Confident	84.2	Confident	114 Å²	114	57.4 Å²	57.4	43%	0.43	27%	0.267	S	S	.	.	H	α-helix	trans	-62.8	-46.3	178.3	-178.3	174.7	-72.4	133.9	-1.6	111	P460 A461 L462 I466 A467 E468 L486 D488	P460-R464 PolarHBondContact O-N 2.86Å; A461-R464 PolarHBondContact O-N 3.27Å; L462-R464 VanDerWaalsContact C-N 3.28Å; L462-R464 PolarHBondContact O-N 3.48Å; R464-I466 VanDerWaalsContact C-N 3.33Å; R464-I466 PolarHBondContact O-N 3.03Å; R464-A467 WeakPolarHBondContact O-CB 3.38Å; R464-A467 PolarHBondContact O-N 3.33Å; R464-A467 VanDerWaalsContact O-N 3.16Å; R464-E468 WeakPolarHBondContact O-CG 3.33Å; R464-E468 PolarHBondContact O-N 3.31Å; R464-L486 HydrophobicContact CB-CD1 4.01Å; R464-D488 IonicContact NE-OD2 2.74Å; R464-D488 IonicContact NH2-OD2 3.95Å
465	R	86.8	Confident	84.5	Confident	78 Å²	78	59.1 Å²	59.1	29%	0.294	28%	0.276	S	S	.	.	H	α-helix	trans	-62.3	-38.2	176.8	-70.5	-57	-153.4	179.1	4.9	113.1	V405 L435 A461 L462 A467 E468 E469	V405-R465 HydrophobicContact CG1-CB 4.35Å; V405-R465 HydrophobicContact CG1-CG 3.93Å; L435-R465 HydrophobicContact CD1-CB 3.57Å; L435-R465 HydrophobicContact CD1-CG 4.2Å; L435-R465 HydrophobicContact CD2-CG 4.45Å; A461-R465 PolarHBondContact O-N 3.48Å; A461-R465 VanDerWaalsContact O-N 3.12Å; L462-R465 PolarHBondContact O-N 3.35Å; R465-A467 VanDerWaalsContact C-N 3.35Å; R465-E468 VanDerWaalsContact CD-OE2 3.23Å; R465-E468 WeakPolarHBondContact CD-OE2 3.06Å; R465-E468 IonicContact CZ-OE2 3.8Å; R465-E468 IonicContact NE-OE2 2.6Å; R465-E468 IonicContact NH1-OE2 3.52Å; R465-E468 PolarHBondContact NH1-OE2 3.11Å; R465-E468 PolarHBondContact O-N 3.49Å; R465-E469 PolarHBondContact O-N 3.24Å
466	I	87.6	Confident	84.8	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-64.5	-41.8	174.8	-62.8	166.6	0	0	0	110.2	A438 V442 L450 V454 L462 R463 R464 E469 A470 L482	A438-I466 HydrophobicContact CB-CD1 3.87Å; A438-I466 HydrophobicContact CB-CG1 3.99Å; V442-I466 HydrophobicContact CG2-CG2 3.67Å; L450-I466 HydrophobicContact CD1-CD1 4.26Å; L450-I466 HydrophobicContact CD1-CG2 4.19Å; L450-I466 HydrophobicContact CD2-CG2 4.11Å; V454-I466 HydrophobicContact CG2-CD1 3.5Å; L462-I466 HydrophobicContact CD1-CD1 4.28Å; L462-I466 HydrophobicContact CG-CD1 3.94Å; L462-I466 VanDerWaalsContact O-CG1 3.29Å; L462-I466 WeakPolarHBondContact O-CG1 3.41Å; L462-I466 PolarHBondContact O-N 3.32Å; R463-I466 PolarHBondContact O-N 2.97Å; R464-I466 VanDerWaalsContact C-N 3.33Å; R464-I466 PolarHBondContact O-N 3.03Å; I466-E469 PolarHBondContact O-N 2.91Å; I466-A470 WeakPolarHBondContact O-CB 3.4Å; I466-A470 PolarHBondContact O-N 2.71Å; I466-L482 HydrophobicContact CB-CD1 3.96Å; I466-L482 HydrophobicContact CG2-CD1 3.41Å; I466-L482 VanDerWaalsContact CG2-CD1 3.41Å
467	A	89.1	Confident	85	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63.6	-40.6	175.9	0	0	0	0	0	112	R463 R464 R465 A470 L471 L482 F483	R463-A467 PolarHBondContact O-N 2.85Å; R464-A467 WeakPolarHBondContact O-CB 3.38Å; R464-A467 PolarHBondContact O-N 3.33Å; R464-A467 VanDerWaalsContact O-N 3.16Å; R465-A467 VanDerWaalsContact C-N 3.35Å; A467-A470 PolarHBondContact O-N 3.28Å; A467-L471 WeakPolarHBondContact O-CG 3.47Å; A467-L471 PolarHBondContact O-N 3.37Å; A467-L482 HydrophobicContact CB-CB 3.86Å; A467-L482 HydrophobicContact CB-CD1 4.07Å; A467-F483 HydrophobicContact CB-CD1 4.26Å; A467-F483 HydrophobicContact CB-CE1 3.81Å; A467-F483 HydrophobicContact CB-CE2 4.28Å; A467-F483 HydrophobicContact CB-CZ 3.83Å
468	E	88.5	Confident	85.8	Confident	39 Å²	39	55.4 Å²	55.4	18%	0.182	26%	0.26	C	S	.	.	H	α-helix	trans	-60.9	-43.5	173.5	-70.2	171.1	-170.3	0	0	112.1	R464 R465 L471 R472 L515	R464-E468 WeakPolarHBondContact O-CG 3.33Å; R464-E468 PolarHBondContact O-N 3.31Å; R465-E468 VanDerWaalsContact CD-OE2 3.23Å; R465-E468 WeakPolarHBondContact CD-OE2 3.06Å; R465-E468 IonicContact CZ-OE2 3.8Å; R465-E468 IonicContact NE-OE2 2.6Å; R465-E468 IonicContact NH1-OE2 3.52Å; R465-E468 PolarHBondContact NH1-OE2 3.11Å; R465-E468 PolarHBondContact O-N 3.49Å; E468-L471 WeakPolarHBondContact O-CB 2.9Å; E468-L471 PolarHBondContact O-N 3.03Å; E468-R472 WeakPolarHBondContact O-CG 3.42Å; E468-R472 PolarHBondContact O-N 3.46Å; E468-L515 HydrophobicContact CB-CD2 3.72Å; E468-L515 HydrophobicContact CG-CD2 3.61Å
469	E	87.5	Confident	86.6	Confident	36 Å²	36	47.7 Å²	47.7	17%	0.168	22%	0.224	C	C	.	.	H	α-helix	trans	-67.8	-37.9	176.8	-178	60.7	-160.8	0	0	112.2	I439 V442 R465 I466 L471 R472 R473	I439-E469 HydrophobicContact CG1-CG 4.45Å; I439-E469 HydrophobicContact CG2-CG 4.25Å; V442-E469 HydrophobicContact CG1-CG 4.11Å; R465-E469 PolarHBondContact O-N 3.24Å; I466-E469 PolarHBondContact O-N 2.91Å; E469-L471 VanDerWaalsContact C-N 3.34Å; E469-R472 WeakPolarHBondContact O-CB 3Å; E469-R472 PolarHBondContact O-N 2.91Å; E469-R472 WeakPolarHBondContact OE2-CD 3.37Å; E469-R473 WeakPolarHBondContact O-CD 3.21Å; E469-R473 WeakPolarHBondContact O-CG 3.16Å; E469-R473 PolarHBondContact O-N 2.95Å; E469-R473 IonicContact OE1-CZ 3.78Å; E469-R473 IonicContact OE1-NE 2.67Å; E469-R473 PolarHBondContact OE1-NE 3.23Å; E469-R473 IonicContact OE1-NH2 2.94Å
470	A	88.8	Confident	87.1	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.4	-43.9	172.3	0	0	0	0	0	111.3	I466 A467 R472 R473 M474 D475 L478 A479	I466-A470 WeakPolarHBondContact O-CB 3.4Å; I466-A470 PolarHBondContact O-N 2.71Å; A467-A470 PolarHBondContact O-N 3.28Å; A470-R472 PolarHBondContact O-N 2.84Å; A470-R473 CarbonylContact O-C 3.6Å; A470-R473 PolarHBondContact O-N 2.86Å; A470-M474 PolarHBondContact O-N 2.84Å; A470-M474 VanDerWaalsContact O-N 3.13Å; A470-D475 HydrophobicContact CB-CB 4.37Å; A470-D475 PolarHBondContact O-N 3.23Å; A470-L478 HydrophobicContact CB-CB 4.17Å; A470-L478 HydrophobicContact CB-CD2 3.96Å; A470-L478 HydrophobicContact CB-CG 4.05Å; A470-A479 HydrophobicContact CB-CB 4.24Å
471	L	90.2	Very high	87.3	Confident	1 Å²	1	50 Å²	50	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-59.9	-44.6	174.2	-74.8	175.9	0	0	0	112.3	A467 E468 E469 R473 M474 A479 F483 F494 L495 I511 Y514	A467-L471 WeakPolarHBondContact O-CG 3.47Å; A467-L471 PolarHBondContact O-N 3.37Å; E468-L471 WeakPolarHBondContact O-CB 2.9Å; E468-L471 PolarHBondContact O-N 3.03Å; E469-L471 VanDerWaalsContact C-N 3.34Å; L471-R473 PolarHBondContact O-N 3.42Å; L471-M474 WeakPolarHBondContact O-CA 3.48Å; L471-M474 PolarHBondContact O-N 2.93Å; L471-A479 HydrophobicContact CD2-CB 3.87Å; L471-A479 HydrophobicContact CG-CB 3.98Å; L471-F483 HydrophobicContact CD1-CE2 3.94Å; L471-F483 HydrophobicContact CD1-CZ 3.87Å; L471-F483 HydrophobicContact CG-CE2 4.4Å; L471-F494 HydrophobicContact CD1-CE1 4.26Å; L471-F494 HydrophobicContact CD2-CE1 4.25Å; L471-L495 HydrophobicContact CD2-CD2 3.77Å; L471-I511 HydrophobicContact CB-CG2 4.08Å; L471-I511 WeakPolarHBondContact O-CD1 3.43Å; L471-Y514 HydrophobicContact CD1-CD1 3.97Å; L471-Y514 HydrophobicContact CD1-CE1 3.93Å
472	R	88.1	Confident	87.5	Confident	84 Å²	84	48.4 Å²	48.4	32%	0.317	22%	0.215	S	C	.	.	H	α-helix	trans	-57.3	-33.1	176.7	-71	171.2	-175.2	-78.6	0	112.9	E468 E469 A470 M474 L515 E517	E468-R472 WeakPolarHBondContact O-CG 3.42Å; E468-R472 PolarHBondContact O-N 3.46Å; E469-R472 WeakPolarHBondContact O-CB 3Å; E469-R472 PolarHBondContact O-N 2.91Å; E469-R472 WeakPolarHBondContact OE2-CD 3.37Å; A470-R472 PolarHBondContact O-N 2.84Å; R472-M474 VanDerWaalsContact C-N 3.32Å; R472-L515 HydrophobicContact CG-CD1 3.53Å; R472-E517 IonicContact CZ-OE1 3.58Å; R472-E517 IonicContact CZ-OE2 3.06Å; R472-E517 IonicContact NH1-OE1 2.68Å; R472-E517 PolarHBondContact NH1-OE1 3.29Å; R472-E517 IonicContact NH1-OE2 3.9Å; R472-E517 PolarHBondContact NH1-OE2 3.45Å; R472-E517 IonicContact NH2-OE1 3.85Å; R472-E517 PolarHBondContact NH2-OE1 3.35Å; R472-E517 IonicContact NH2-OE2 2.65Å
473	R	86	Confident	87.8	Confident	104 Å²	104	48.3 Å²	48.3	39%	0.392	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-3	178.1	-69.3	162.7	168.8	-93	-18.7	113.7	V442 K443 E469 A470 L471 D475	V442-R473 PolarHBondContact O-NH1 2.86Å; K443-R473 VanDerWaalsContact CA-NH1 3.34Å; K443-R473 VanDerWaalsContact CD-NH2 3.27Å; E469-R473 WeakPolarHBondContact O-CD 3.21Å; E469-R473 WeakPolarHBondContact O-CG 3.16Å; E469-R473 PolarHBondContact O-N 2.95Å; E469-R473 IonicContact OE1-CZ 3.78Å; E469-R473 IonicContact OE1-NE 2.67Å; E469-R473 PolarHBondContact OE1-NE 3.23Å; E469-R473 IonicContact OE1-NH2 2.94Å; A470-R473 CarbonylContact O-C 3.6Å; A470-R473 PolarHBondContact O-N 2.86Å; L471-R473 PolarHBondContact O-N 3.42Å; R473-D475 PolarHBondContact O-N 2.69Å
474	M	85.5	Confident	87.8	Confident	85 Å²	85	49.9 Å²	49.9	42%	0.419	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	27.5	-172.7	-56.7	179.6	52.7	0	0	114	A470 L471 R472 V476 K507 I511	A470-M474 PolarHBondContact O-N 2.84Å; A470-M474 VanDerWaalsContact O-N 3.13Å; L471-M474 WeakPolarHBondContact O-CA 3.48Å; L471-M474 PolarHBondContact O-N 2.93Å; R472-M474 VanDerWaalsContact C-N 3.32Å; M474-V476 PolarHBondContact O-N 3.01Å; M474-K507 HydrophobicContact CE-CD 4.49Å; M474-I511 HydrophobicContact CG-CD1 4.05Å
475	D	86.9	Confident	87.7	Confident	42 Å²	42	48.7 Å²	48.7	23%	0.225	23%	0.229	C	C	.	.			trans	-84.8	83.1	169.9	-168.9	-16.1	0	0	0	109.7	A470 R473 E477 L478 A479	A470-D475 HydrophobicContact CB-CB 4.37Å; A470-D475 PolarHBondContact O-N 3.23Å; R473-D475 PolarHBondContact O-N 2.69Å; D475-E477 VanDerWaalsContact C-N 3.31Å; D475-E477 PolarHBondContact O-N 2.67Å; D475-E477 PolarHBondContact OD1-N 2.79Å; D475-L478 HydrophobicContact CB-CB 4.36Å; D475-L478 PolarHBondContact OD1-N 2.9Å; D475-L478 VanDerWaalsContact OD1-N 3.09Å; D475-A479 WeakPolarHBondContact O-CB 3.28Å; D475-A479 PolarHBondContact O-N 3.36Å
476	V	86.4	Confident	87.6	Confident	38 Å²	38	46 Å²	46	23%	0.23	22%	0.22	C	C	.	.	H	α-helix	trans	-66.6	-34	-176.7	-175.1	0	0	0	0	111.3	M474 A479 E480 L495 L498 I499	M474-V476 PolarHBondContact O-N 3.01Å; V476-A479 PolarHBondContact O-N 3.31Å; V476-E480 WeakPolarHBondContact O-CB 3.37Å; V476-E480 PolarHBondContact O-N 3.3Å; V476-L495 HydrophobicContact CG1-CD2 3.83Å; V476-L498 HydrophobicContact CG2-CD2 3.77Å; V476-I499 HydrophobicContact CG1-CG1 4.33Å
477	E	86.5	Confident	87.6	Confident	164 Å²	164	52 Å²	52	77%	0.766	26%	0.257	S	S	*	.	H	α-helix	trans	-68.7	-45.5	-177.2	-64	-179	-177.9	0	0	111.1	D475 E480 L481	D475-E477 VanDerWaalsContact C-N 3.31Å; D475-E477 PolarHBondContact O-N 2.67Å; D475-E477 PolarHBondContact OD1-N 2.79Å; E477-E480 PolarHBondContact O-N 2.92Å; E477-L481 PolarHBondContact O-N 2.8Å
478	L	87.3	Confident	87.5	Confident	16 Å²	16	53.1 Å²	53.1	8%	0.084	26%	0.263	C	S	.	.	H	α-helix	trans	-66.4	-40.4	176.1	-179.4	60.1	0	0	0	111.9	V442 L450 A470 D475 E480 L481 L482	V442-L478 HydrophobicContact CG1-CD2 4.42Å; V442-L478 HydrophobicContact CG2-CD2 4.5Å; L450-L478 HydrophobicContact CD2-CD1 3.98Å; L450-L478 HydrophobicContact CD2-CD2 3.82Å; A470-L478 HydrophobicContact CB-CB 4.17Å; A470-L478 HydrophobicContact CB-CD2 3.96Å; A470-L478 HydrophobicContact CB-CG 4.05Å; D475-L478 HydrophobicContact CB-CB 4.36Å; D475-L478 PolarHBondContact OD1-N 2.9Å; D475-L478 VanDerWaalsContact OD1-N 3.09Å; L478-E480 PolarHBondContact O-N 3.02Å; L478-L481 PolarHBondContact O-N 2.89Å; L478-L482 HydrophobicContact CD1-CD1 4.14Å; L478-L482 HydrophobicContact CD1-CG 4.4Å; L478-L482 HydrophobicContact CG-CD1 4.06Å; L478-L482 WeakPolarHBondContact O-CG 3.47Å; L478-L482 PolarHBondContact O-N 2.83Å; L478-L482 VanDerWaalsContact O-N 3.16Å
479	A	89.3	Confident	87.4	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62.1	-42.4	176.8	0	0	0	0	0	111.8	A470 L471 D475 V476 L482 F483 L495	A470-A479 HydrophobicContact CB-CB 4.24Å; L471-A479 HydrophobicContact CD2-CB 3.87Å; L471-A479 HydrophobicContact CG-CB 3.98Å; D475-A479 WeakPolarHBondContact O-CB 3.28Å; D475-A479 PolarHBondContact O-N 3.36Å; V476-A479 PolarHBondContact O-N 3.31Å; A479-L482 PolarHBondContact O-N 3.23Å; A479-F483 HydrophobicContact CB-CD2 4.41Å; A479-F483 HydrophobicContact CB-CE2 4.14Å; A479-F483 WeakPolarHBondContact O-CD2 3.3Å; A479-F483 WeakPolarHBondContact O-CG 3.12Å; A479-F483 PolarHBondContact O-N 3.36Å; A479-L495 HydrophobicContact CB-CD2 4.16Å
480	E	88.6	Confident	87.4	Confident	92 Å²	92	63.2 Å²	63.2	43%	0.43	31%	0.308	S	S	.	.	H	α-helix	trans	-60.8	-47.3	177.2	-171	173.3	-175.3	0	0	111.7	V476 E477 L478 L482 F483 V484 L495	V476-E480 WeakPolarHBondContact O-CB 3.37Å; V476-E480 PolarHBondContact O-N 3.3Å; E477-E480 PolarHBondContact O-N 2.92Å; L478-E480 PolarHBondContact O-N 3.02Å; E480-L482 VanDerWaalsContact C-N 3.3Å; E480-L482 PolarHBondContact O-N 2.88Å; E480-F483 PolarHBondContact O-N 2.83Å; E480-V484 VanDerWaalsContact O-CG2 3.27Å; E480-V484 WeakPolarHBondContact O-CG2 3.49Å; E480-V484 PolarHBondContact O-N 3.05Å; E480-L495 VanDerWaalsContact CA-CD1 3.41Å; E480-L495 HydrophobicContact CB-CD1 3.71Å; E480-L495 HydrophobicContact CG-CD1 4.17Å
481	L	87.8	Confident	87.3	Confident	67 Å²	67	63.2 Å²	63.2	35%	0.351	31%	0.308	S	S	.	.	H	α-helix	trans	-54.9	-46.5	177.1	-178.1	70.8	0	0	0	111.6	E477 L478 Q485	E477-L481 PolarHBondContact O-N 2.8Å; L478-L481 PolarHBondContact O-N 2.89Å; L481-Q485 WeakPolarHBondContact O-CG 3.36Å; L481-Q485 PolarHBondContact O-N 3.45Å; L481-Q485 VanDerWaalsContact O-N 3.14Å
482	L	87.6	Confident	87.2	Confident	4 Å²	4	64.7 Å²	64.7	2%	0.021	32%	0.315	C	S	.	.	H	α-helix	trans	-72	-39.8	-176.8	-68.2	168.2	0	0	0	112.6	I466 A467 L478 A479 E480 V484 Q485 L486	I466-L482 HydrophobicContact CB-CD1 3.96Å; I466-L482 HydrophobicContact CG2-CD1 3.41Å; I466-L482 VanDerWaalsContact CG2-CD1 3.41Å; A467-L482 HydrophobicContact CB-CB 3.86Å; A467-L482 HydrophobicContact CB-CD1 4.07Å; L478-L482 HydrophobicContact CD1-CD1 4.14Å; L478-L482 HydrophobicContact CD1-CG 4.4Å; L478-L482 HydrophobicContact CG-CD1 4.06Å; L478-L482 WeakPolarHBondContact O-CG 3.47Å; L478-L482 PolarHBondContact O-N 2.83Å; L478-L482 VanDerWaalsContact O-N 3.16Å; A479-L482 PolarHBondContact O-N 3.23Å; E480-L482 VanDerWaalsContact C-N 3.3Å; E480-L482 PolarHBondContact O-N 2.88Å; L482-V484 VanDerWaalsContact C-N 3.34Å; L482-V484 PolarHBondContact O-N 2.99Å; L482-Q485 PolarHBondContact O-N 3.16Å; L482-L486 WeakPolarHBondContact O-CB 3.41Å; L482-L486 WeakPolarHBondContact O-CG 3.38Å; L482-L486 PolarHBondContact O-N 3.02Å
483	F	89.8	Confident	87.2	Confident	2 Å²	2	66.1 Å²	66.1	1%	0.009	33%	0.325	C	S	.	.	H	α-helix	trans	-66.9	-34.9	176.1	-70.6	-50.8	0	0	0	112.6	A467 L471 A479 E480 L486 T487 D488 I492 L495 Y514	A467-F483 HydrophobicContact CB-CD1 4.26Å; A467-F483 HydrophobicContact CB-CE1 3.81Å; A467-F483 HydrophobicContact CB-CE2 4.28Å; A467-F483 HydrophobicContact CB-CZ 3.83Å; L471-F483 HydrophobicContact CD1-CE2 3.94Å; L471-F483 HydrophobicContact CD1-CZ 3.87Å; L471-F483 HydrophobicContact CG-CE2 4.4Å; A479-F483 HydrophobicContact CB-CD2 4.41Å; A479-F483 HydrophobicContact CB-CE2 4.14Å; A479-F483 WeakPolarHBondContact O-CD2 3.3Å; A479-F483 WeakPolarHBondContact O-CG 3.12Å; A479-F483 PolarHBondContact O-N 3.36Å; E480-F483 PolarHBondContact O-N 2.83Å; F483-L486 HydrophobicContact CD1-CD1 4.47Å; F483-L486 PolarHBondContact O-N 2.98Å; F483-T487 PolarHBondContact O-N 3.15Å; F483-T487 VanDerWaalsContact O-N 3.1Å; F483-D488 HydrophobicContact CB-CB 4.44Å; F483-D488 HydrophobicContact CD1-CB 3.96Å; F483-D488 PolarHBondContact O-N 3.36Å; F483-I492 HydrophobicContact CB-CG1 3.98Å; F483-L495 HydrophobicContact CD2-CD1 3.67Å; F483-L495 HydrophobicContact CD2-CG 4.25Å; F483-L495 HydrophobicContact CE2-CD1 4.26Å; F483-L495 HydrophobicContact CE2-CG 4.42Å; F483-Y514 HydrophobicContact CZ-CE1 4.38Å
484	V	88.3	Confident	87.4	Confident	82 Å²	82	62.3 Å²	62.3	50%	0.497	31%	0.312	S	S	.	.	H	α-helix	trans	-63.6	-43.9	172.6	171.6	0	0	0	0	110.9	E480 L482 L486 T487 I492	E480-V484 VanDerWaalsContact O-CG2 3.27Å; E480-V484 WeakPolarHBondContact O-CG2 3.49Å; E480-V484 PolarHBondContact O-N 3.05Å; L482-V484 VanDerWaalsContact C-N 3.34Å; L482-V484 PolarHBondContact O-N 2.99Å; V484-L486 VanDerWaalsContact C-N 3.28Å; V484-L486 PolarHBondContact O-N 2.87Å; V484-T487 PolarHBondContact O-N 3.02Å; V484-T487 VanDerWaalsContact O-N 3.14Å; V484-I492 HydrophobicContact CG2-CD1 4Å; V484-I492 HydrophobicContact CG2-CG1 4.4Å
485	Q	85	Confident	87.6	Confident	88 Å²	88	58.5 Å²	58.5	41%	0.411	29%	0.293	S	S	.	.	H	α-helix	trans	-64.7	-30.8	175.7	-73.1	179.4	-9.2	0	0	113.3	L481 L482 T487	L481-Q485 WeakPolarHBondContact O-CG 3.36Å; L481-Q485 PolarHBondContact O-N 3.45Å; L481-Q485 VanDerWaalsContact O-N 3.14Å; L482-Q485 PolarHBondContact O-N 3.16Å; Q485-T487 VanDerWaalsContact C-N 3.31Å
486	L	85	Confident	87.6	Confident	22 Å²	22	64.6 Å²	64.6	12%	0.115	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-8.5	175.7	-76.2	170.4	0	0	0	113.9	P460 R463 R464 L482 F483 V484 D488	P460-L486 HydrophobicContact CB-CD2 3.89Å; P460-L486 WeakPolarHBondContact O-CD2 3.36Å; R463-L486 HydrophobicContact CB-CD1 3.95Å; R463-L486 HydrophobicContact CB-CD2 3.8Å; R463-L486 HydrophobicContact CB-CG 3.92Å; R464-L486 HydrophobicContact CB-CD1 4.01Å; L482-L486 WeakPolarHBondContact O-CB 3.41Å; L482-L486 WeakPolarHBondContact O-CG 3.38Å; L482-L486 PolarHBondContact O-N 3.02Å; F483-L486 HydrophobicContact CD1-CD1 4.47Å; F483-L486 PolarHBondContact O-N 2.98Å; V484-L486 VanDerWaalsContact C-N 3.28Å; V484-L486 PolarHBondContact O-N 2.87Å; L486-D488 HydrophobicContact CB-CB 4.1Å; L486-D488 PolarHBondContact O-N 2.91Å
487	T	87.5	Confident	87.6	Confident	126 Å²	126	66.4 Å²	66.4	77%	0.773	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	30.6	-167.5	59.9	0	0	0	0	113	F483 V484 Q485 Y489	F483-T487 PolarHBondContact O-N 3.15Å; F483-T487 VanDerWaalsContact O-N 3.1Å; V484-T487 PolarHBondContact O-N 3.02Å; V484-T487 VanDerWaalsContact O-N 3.14Å; Q485-T487 VanDerWaalsContact C-N 3.31Å; T487-Y489 PolarHBondContact O-N 3.21Å; T487-Y489 VanDerWaalsContact O-N 3.13Å
488	D	86.3	Confident	87.7	Confident	23 Å²	23	58.9 Å²	58.9	12%	0.123	29%	0.289	C	S	.	.			trans	-83.8	89.7	-178.2	-166.6	-25	0	0	0	110.5	R464 F483 L486 N490 G491 I492	R464-D488 IonicContact NE-OD2 2.74Å; R464-D488 IonicContact NH2-OD2 3.95Å; F483-D488 HydrophobicContact CB-CB 4.44Å; F483-D488 HydrophobicContact CD1-CB 3.96Å; F483-D488 PolarHBondContact O-N 3.36Å; L486-D488 HydrophobicContact CB-CB 4.1Å; L486-D488 PolarHBondContact O-N 2.91Å; D488-N490 PolarHBondContact O-N 3.12Å; D488-N490 PolarHBondContact OD1-N 3.41Å; D488-G491 PolarHBondContact O-N 2.91Å; D488-G491 PolarHBondContact OD1-N 2.86Å; D488-G491 VanDerWaalsContact OD1-N 3.13Å; D488-I492 WeakPolarHBondContact O-CG1 3.24Å; D488-I492 PolarHBondContact O-N 3.09Å
489	Y	87.4	Confident	87.6	Confident	170 Å²	170	63 Å²	63	67%	0.667	31%	0.31	S	S	*	.	H	α-helix	trans	-61.5	-32	-176.9	-141.7	-90.2	0	0	0	112.8	T487 I492 Q493	T487-Y489 PolarHBondContact O-N 3.21Å; T487-Y489 VanDerWaalsContact O-N 3.13Å; Y489-I492 PolarHBondContact O-N 3.25Å; Y489-Q493 WeakPolarHBondContact O-CB 3.4Å; Y489-Q493 PolarHBondContact O-N 2.96Å
490	N	86.8	Confident	87.5	Confident	117 Å²	117	67 Å²	67	63%	0.626	34%	0.339	S	S	*	.	H	α-helix	trans	-70.4	-44.7	-179.9	-67.1	-28.5	0	0	0	110.8	D488 I492 Q493 F494	D488-N490 PolarHBondContact O-N 3.12Å; D488-N490 PolarHBondContact OD1-N 3.41Å; N490-I492 VanDerWaalsContact C-N 3.31Å; N490-I492 PolarHBondContact O-N 3.34Å; N490-Q493 PolarHBondContact O-N 2.89Å; N490-F494 WeakPolarHBondContact O-CB 3.33Å; N490-F494 PolarHBondContact O-N 3.25Å
491	G	87.6	Confident	87.4	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-58.7	-42.1	174.3	0	0	0	0	0	112.3	D488 F494 L495 Y514	D488-G491 PolarHBondContact O-N 2.91Å; D488-G491 PolarHBondContact OD1-N 2.86Å; D488-G491 VanDerWaalsContact OD1-N 3.13Å; G491-F494 WeakPolarHBondContact O-CB 3.23Å; G491-F494 PolarHBondContact O-N 3.5Å; G491-L495 WeakPolarHBondContact O-CG 3.38Å; G491-L495 PolarHBondContact O-N 3.33Å; G491-Y514 WeakPolarHBondContact CA-OH 3.24Å
492	I	87.3	Confident	87.3	Confident	32 Å²	32	68.2 Å²	68.2	16%	0.164	35%	0.353	C	S	.	.	H	α-helix	trans	-65.2	-42.5	177.1	-62.9	166.2	0	0	0	111.5	F483 V484 D488 Y489 N490 F494 L495 R496	F483-I492 HydrophobicContact CB-CG1 3.98Å; V484-I492 HydrophobicContact CG2-CD1 4Å; V484-I492 HydrophobicContact CG2-CG1 4.4Å; D488-I492 WeakPolarHBondContact O-CG1 3.24Å; D488-I492 PolarHBondContact O-N 3.09Å; Y489-I492 PolarHBondContact O-N 3.25Å; N490-I492 VanDerWaalsContact C-N 3.31Å; N490-I492 PolarHBondContact O-N 3.34Å; I492-F494 VanDerWaalsContact C-N 3.33Å; I492-L495 PolarHBondContact O-N 3.32Å; I492-R496 PolarHBondContact O-N 3.49Å; I492-R496 VanDerWaalsContact O-N 3.15Å
493	Q	87.8	Confident	87.3	Confident	114 Å²	114	70.5 Å²	70.5	53%	0.533	37%	0.365	S	S	.	.	H	α-helix	trans	-66.2	-37.2	177.1	-171.9	175.8	-5.4	0	0	112	Y489 N490 R496 T497	Y489-Q493 WeakPolarHBondContact O-CB 3.4Å; Y489-Q493 PolarHBondContact O-N 2.96Å; N490-Q493 PolarHBondContact O-N 2.89Å; Q493-R496 PolarHBondContact O-N 3.4Å; Q493-T497 PolarHBondContact O-N 2.8Å; Q493-T497 PolarHBondContact O-OG1 3.12Å
494	F	90.8	Very high	87.2	Confident	25 Å²	25	74.3 Å²	74.3	11%	0.11	39%	0.39	C	S	.	.	H	α-helix	trans	-61.4	-47.2	173.2	174.3	-107.9	0	0	0	111.5	L471 N490 G491 I492 R496 T497 L498 E510 I511 Y514	L471-F494 HydrophobicContact CD1-CE1 4.26Å; L471-F494 HydrophobicContact CD2-CE1 4.25Å; N490-F494 WeakPolarHBondContact O-CB 3.33Å; N490-F494 PolarHBondContact O-N 3.25Å; G491-F494 WeakPolarHBondContact O-CB 3.23Å; G491-F494 PolarHBondContact O-N 3.5Å; I492-F494 VanDerWaalsContact C-N 3.33Å; F494-R496 VanDerWaalsContact C-N 3.33Å; F494-R496 PolarHBondContact O-N 3.27Å; F494-T497 WeakPolarHBondContact O-CA 3.36Å; F494-T497 VanDerWaalsContact O-CB 3.3Å; F494-T497 WeakPolarHBondContact O-CB 3.4Å; F494-T497 PolarHBondContact O-N 3.16Å; F494-L498 HydrophobicContact CE1-CD1 3.93Å; F494-L498 HydrophobicContact CZ-CD1 3.8Å; F494-L498 PolarHBondContact O-N 3.01Å; F494-E510 HydrophobicContact CE2-CB 4.33Å; F494-I511 HydrophobicContact CZ-CG1 4.33Å; F494-Y514 HydrophobicContact CB-CD2 4.01Å; F494-Y514 HydrophobicContact CB-CE2 3.81Å; F494-Y514 HydrophobicContact CD1-CD1 4.1Å; F494-Y514 AromaticContact CD1-CD2 3.84Å; F494-Y514 HydrophobicContact CD1-CD2 3.84Å; F494-Y514 HydrophobicContact CD1-CE1 4.35Å; F494-Y514 HydrophobicContact CD1-CE2 4.1Å; F494-Y514 AromaticContact CD1-CG 3.85Å; F494-Y514 HydrophobicContact CD1-CG 3.85Å; F494-Y514 AromaticContact CD2-CD2 3.64Å; F494-Y514 HydrophobicContact CD2-CD2 3.64Å; F494-Y514 HydrophobicContact CD2-CE2 4.33Å; F494-Y514 HydrophobicContact CD2-CG 4.06Å; F494-Y514 HydrophobicContact CE1-CD1 4.06Å; F494-Y514 HydrophobicContact CE1-CD2 4.24Å; F494-Y514 AromaticContact CE1-CG 3.81Å; F494-Y514 HydrophobicContact CE1-CG 3.81Å; F494-Y514 HydrophobicContact CE2-CD2 4.06Å; F494-Y514 HydrophobicContact CE2-CG 4.03Å; F494-Y514 AromaticContact CG-CD2 3.53Å; F494-Y514 HydrophobicContact CG-CD2 3.53Å; F494-Y514 AromaticContact CG-CE2 3.81Å; F494-Y514 HydrophobicContact CG-CE2 3.81Å; F494-Y514 AromaticContact CG-CG 3.97Å; F494-Y514 HydrophobicContact CG-CG 3.97Å; F494-Y514 HydrophobicContact CZ-CD2 4.34Å; F494-Y514 AromaticContact CZ-CG 3.91Å; F494-Y514 HydrophobicContact CZ-CG 3.91Å
495	L	89.3	Confident	87.2	Confident	4 Å²	4	73.3 Å²	73.3	2%	0.021	38%	0.382	C	S	.	.	H	α-helix	trans	-57.9	-41.8	177	-72.8	172.8	0	0	0	112.9	L471 V476 A479 E480 F483 G491 I492 T497 L498 I499	L471-L495 HydrophobicContact CD2-CD2 3.77Å; V476-L495 HydrophobicContact CG1-CD2 3.83Å; A479-L495 HydrophobicContact CB-CD2 4.16Å; E480-L495 VanDerWaalsContact CA-CD1 3.41Å; E480-L495 HydrophobicContact CB-CD1 3.71Å; E480-L495 HydrophobicContact CG-CD1 4.17Å; F483-L495 HydrophobicContact CD2-CD1 3.67Å; F483-L495 HydrophobicContact CD2-CG 4.25Å; F483-L495 HydrophobicContact CE2-CD1 4.26Å; F483-L495 HydrophobicContact CE2-CG 4.42Å; G491-L495 WeakPolarHBondContact O-CG 3.38Å; G491-L495 PolarHBondContact O-N 3.33Å; I492-L495 PolarHBondContact O-N 3.32Å; L495-T497 VanDerWaalsContact C-N 3.26Å; L495-T497 PolarHBondContact O-N 3.42Å; L495-L498 WeakPolarHBondContact O-CB 3.36Å; L495-L498 PolarHBondContact O-N 3.43Å; L495-L498 VanDerWaalsContact O-N 3.14Å; L495-I499 VanDerWaalsContact O-CG1 3.31Å; L495-I499 WeakPolarHBondContact O-CG1 3.48Å; L495-I499 PolarHBondContact O-N 3.49Å
496	R	87.2	Confident	87.5	Confident	171 Å²	171	70.3 Å²	70.3	65%	0.645	37%	0.369	S	S	*	.	H	α-helix	trans	-59.3	-39.3	174.4	-72.1	178.1	176.6	177.9	0.4	112.3	I492 Q493 F494 S500	I492-R496 PolarHBondContact O-N 3.49Å; I492-R496 VanDerWaalsContact O-N 3.15Å; Q493-R496 PolarHBondContact O-N 3.4Å; F494-R496 VanDerWaalsContact C-N 3.33Å; F494-R496 PolarHBondContact O-N 3.27Å; R496-S500 PolarHBondContact O-N 3.04Å
497	T	86.6	Confident	87.8	Confident	76 Å²	76	71.7 Å²	71.7	47%	0.466	37%	0.374	S	S	.	.	H	α-helix	trans	-67	-42.2	176.3	-48	0	0	0	0	110.4	Q493 F494 L495 I499 S500	Q493-T497 PolarHBondContact O-N 2.8Å; Q493-T497 PolarHBondContact O-OG1 3.12Å; F494-T497 WeakPolarHBondContact O-CA 3.36Å; F494-T497 VanDerWaalsContact O-CB 3.3Å; F494-T497 WeakPolarHBondContact O-CB 3.4Å; F494-T497 PolarHBondContact O-N 3.16Å; L495-T497 VanDerWaalsContact C-N 3.26Å; L495-T497 PolarHBondContact O-N 3.42Å; T497-I499 PolarHBondContact O-N 3.46Å; T497-S500 WeakPolarHBondContact O-CB 3.45Å; T497-S500 PolarHBondContact O-N 3.46Å; T497-S500 VanDerWaalsContact O-N 3.16Å; T497-S500 PolarHBondContact O-OG 2.96Å
498	L	88.7	Confident	87.9	Confident	5 Å²	5	69.2 Å²	69.2	3%	0.026	35%	0.352	C	S	.	.	H	α-helix	trans	-65.5	-36	-180	-168.4	131.9	0	0	0	113.5	V476 F494 L495 S500 L501 K507 I511	V476-L498 HydrophobicContact CG2-CD2 3.77Å; F494-L498 HydrophobicContact CE1-CD1 3.93Å; F494-L498 HydrophobicContact CZ-CD1 3.8Å; F494-L498 PolarHBondContact O-N 3.01Å; L495-L498 WeakPolarHBondContact O-CB 3.36Å; L495-L498 PolarHBondContact O-N 3.43Å; L495-L498 VanDerWaalsContact O-N 3.14Å; L498-S500 VanDerWaalsContact C-N 3.25Å; L498-S500 PolarHBondContact O-N 3.32Å; L498-L501 PolarHBondContact O-N 2.86Å; L498-K507 HydrophobicContact CD2-CD 4.41Å; L498-K507 HydrophobicContact CG-CG 4.42Å; L498-K507 WeakPolarHBondContact O-CE 3.42Å; L498-I511 HydrophobicContact CD1-CD1 3.73Å; L498-I511 HydrophobicContact CD1-CG1 3.35Å
499	I	85.6	Confident	88.2	Confident	103 Å²	103	68.1 Å²	68.1	53%	0.528	35%	0.347	S	S	.	.	H	α-helix	trans	-64.5	-31.5	175.3	-68.3	163.6	0	0	0	111.3	V476 L495 T497 L501	V476-I499 HydrophobicContact CG1-CG1 4.33Å; L495-I499 VanDerWaalsContact O-CG1 3.31Å; L495-I499 WeakPolarHBondContact O-CG1 3.48Å; L495-I499 PolarHBondContact O-N 3.49Å; T497-I499 PolarHBondContact O-N 3.46Å; I499-L501 VanDerWaalsContact C-N 3.31Å; I499-L501 PolarHBondContact O-N 2.8Å
500	S	87	Confident	88.3	Confident	85 Å²	85	63.8 Å²	63.8	59%	0.594	33%	0.332	S	S	*	.	H	α-helix	trans	-72.7	-19.9	-179.5	78.3	0	0	0	0	114.4	R496 T497 L498	R496-S500 PolarHBondContact O-N 3.04Å; T497-S500 WeakPolarHBondContact O-CB 3.45Å; T497-S500 PolarHBondContact O-N 3.46Å; T497-S500 VanDerWaalsContact O-N 3.16Å; T497-S500 PolarHBondContact O-OG 2.96Å; L498-S500 VanDerWaalsContact C-N 3.25Å; L498-S500 PolarHBondContact O-N 3.32Å
501	L	86.9	Confident	88.6	Confident	45 Å²	45	58.4 Å²	58.4	24%	0.236	30%	0.304	C	S	.	.			trans	-78.6	138	179.8	-62.8	170.4	0	0	0	110.3	L498 I499 K507 E510	L498-L501 PolarHBondContact O-N 2.86Å; I499-L501 VanDerWaalsContact C-N 3.31Å; I499-L501 PolarHBondContact O-N 2.8Å; L501-K507 HydrophobicContact CB-CG 3.83Å; L501-K507 HydrophobicContact CD1-CG 4.41Å; L501-K507 WeakPolarHBondContact O-CE 3.5Å; L501-K507 PolarHBondContact O-NZ 2.9Å; L501-K507 VanDerWaalsContact O-NZ 3.15Å; L501-E510 HydrophobicContact CD1-CB 4.33Å; L501-E510 HydrophobicContact CD1-CG 3.82Å
502	T	84.4	Confident	88.8	Confident	139 Å²	139	60.2 Å²	60.2	85%	0.853	31%	0.31	S	S	*	.			trans	-98	-29.1	177.6	52.4	0	0	0	0	113.1
503	D	87.5	Confident	88.9	Confident	51 Å²	51	59.9 Å²	59.9	27%	0.273	31%	0.313	S	S	.	.			trans	-83.3	121.4	-176.8	-178.5	-7.4	0	0	0	111.3	L505 L506 K507	D503-L505 VanDerWaalsContact C-N 3.31Å; D503-L505 PolarHBondContact O-N 3.43Å; D503-L505 PolarHBondContact OD1-N 2.8Å; D503-L506 HydrophobicContact CB-CB 4.05Å; D503-L506 HydrophobicContact CB-CD1 3.92Å; D503-L506 HydrophobicContact CB-CG 3.99Å; D503-L506 PolarHBondContact O-N 3.17Å; D503-K507 PolarHBondContact O-N 3.47Å
504	P	87.8	Confident	89	Confident	82 Å²	82	58.3 Å²	58.3	53%	0.532	30%	0.302	S	S	.	.	H	α-helix	trans	-62.6	-31.8	179.1	26.1	-35.2	0	0	0	113.8	K507 K508	P504-K507 PolarHBondContact O-N 3.34Å; P504-K508 WeakPolarHBondContact O-CB 3.32Å; P504-K508 PolarHBondContact O-N 2.82Å
505	L	89.2	Confident	88.8	Confident	61 Å²	61	58.6 Å²	58.6	32%	0.319	31%	0.305	S	S	.	.	H	α-helix	trans	-69.9	-41.3	177.7	-69.3	175.2	0	0	0	110.9	D503 K508 A509	D503-L505 VanDerWaalsContact C-N 3.31Å; D503-L505 PolarHBondContact O-N 3.43Å; D503-L505 PolarHBondContact OD1-N 2.8Å; L505-K508 PolarHBondContact O-N 3.3Å; L505-A509 WeakPolarHBondContact O-CB 3.26Å; L505-A509 PolarHBondContact O-N 2.93Å
506	L	90.4	Very high	88.6	Confident	26 Å²	26	61 Å²	61	14%	0.136	33%	0.33	C	S	.	.	H	α-helix	trans	-65.5	-39.8	174.3	-68.3	179.1	0	0	0	112	D503 K508 A509 E510 L525 R530 L533	D503-L506 HydrophobicContact CB-CB 4.05Å; D503-L506 HydrophobicContact CB-CD1 3.92Å; D503-L506 HydrophobicContact CB-CG 3.99Å; D503-L506 PolarHBondContact O-N 3.17Å; L506-K508 VanDerWaalsContact C-N 3.31Å; L506-K508 PolarHBondContact O-N 3.42Å; L506-A509 PolarHBondContact O-N 3.05Å; L506-E510 WeakPolarHBondContact O-CG 3.36Å; L506-E510 PolarHBondContact O-N 3.35Å; L506-L525 HydrophobicContact CD2-CD2 3.88Å; L506-R530 HydrophobicContact CD2-CB 4.39Å; L506-R530 HydrophobicContact CD2-CG 4.18Å; L506-L533 HydrophobicContact CD2-CD1 3.91Å
507	K	90.8	Very high	88.6	Confident	51 Å²	51	55.7 Å²	55.7	22%	0.222	31%	0.313	C	S	.	.	H	α-helix	trans	-56.8	-47.7	172.5	-74.6	-173.6	-176.5	-171.7	0	111.4	M474 L498 L501 D503 P504 E510 I511	M474-K507 HydrophobicContact CE-CD 4.49Å; L498-K507 HydrophobicContact CD2-CD 4.41Å; L498-K507 HydrophobicContact CG-CG 4.42Å; L498-K507 WeakPolarHBondContact O-CE 3.42Å; L501-K507 HydrophobicContact CB-CG 3.83Å; L501-K507 HydrophobicContact CD1-CG 4.41Å; L501-K507 WeakPolarHBondContact O-CE 3.5Å; L501-K507 PolarHBondContact O-NZ 2.9Å; L501-K507 VanDerWaalsContact O-NZ 3.15Å; D503-K507 PolarHBondContact O-N 3.47Å; P504-K507 PolarHBondContact O-N 3.34Å; K507-E510 PolarHBondContact O-N 2.97Å; K507-I511 WeakPolarHBondContact O-CD1 3.03Å; K507-I511 VanDerWaalsContact O-CG1 3.28Å; K507-I511 WeakPolarHBondContact O-CG1 3.35Å; K507-I511 PolarHBondContact O-N 3.24Å
508	K	91	Very high	88.6	Confident	73 Å²	73	53.8 Å²	53.8	32%	0.317	30%	0.3	S	S	.	.	H	α-helix	trans	-66.1	-38.8	-179	-165.7	174.3	175.8	-159	0	112	P504 L505 L506 I511 Y512 Q524	P504-K508 WeakPolarHBondContact O-CB 3.32Å; P504-K508 PolarHBondContact O-N 2.82Å; L505-K508 PolarHBondContact O-N 3.3Å; L506-K508 VanDerWaalsContact C-N 3.31Å; L506-K508 PolarHBondContact O-N 3.42Å; K508-I511 PolarHBondContact O-N 3.3Å; K508-Y512 HydrophobicContact CD-CE2 4.1Å; K508-Y512 WeakPolarHBondContact CE-OH 3.41Å; K508-Y512 HydrophobicContact CG-CD2 4.08Å; K508-Y512 HydrophobicContact CG-CE2 3.58Å; K508-Y512 WeakPolarHBondContact O-CD2 3.4Å; K508-Y512 PolarHBondContact O-N 2.99Å; K508-Q524 HydrophobicContact CD-CG 4.47Å; K508-Q524 HydrophobicContact CG-CG 4.4Å
509	A	91.5	Very high	88.5	Confident	1 Å²	1	59 Å²	59	1%	0.008	33%	0.327	C	S	.	.	H	α-helix	trans	-61.2	-46.4	173.2	0	0	0	0	0	112.7	L505 L506 I511 Y512 A513 A521 Q524 L525	L505-A509 WeakPolarHBondContact O-CB 3.26Å; L505-A509 PolarHBondContact O-N 2.93Å; L506-A509 PolarHBondContact O-N 3.05Å; A509-I511 VanDerWaalsContact C-N 3.34Å; A509-I511 PolarHBondContact O-N 2.94Å; A509-Y512 PolarHBondContact O-N 3.19Å; A509-A513 WeakPolarHBondContact O-CB 3.49Å; A509-A513 PolarHBondContact O-N 2.59Å; A509-A521 WeakPolarHBondContact O-CB 3.25Å; A509-Q524 HydrophobicContact CB-CB 3.88Å; A509-L525 HydrophobicContact CB-CD2 3.56Å; A509-L525 HydrophobicContact CB-CG 3.69Å
510	E	90.6	Very high	88.6	Confident	78 Å²	78	57.8 Å²	57.8	36%	0.364	32%	0.32	S	S	.	.	H	α-helix	trans	-65.3	-36.2	177.8	-72.2	-71.1	166.4	0	0	111.9	F494 L501 L506 K507 A513 Y514	F494-E510 HydrophobicContact CE2-CB 4.33Å; L501-E510 HydrophobicContact CD1-CB 4.33Å; L501-E510 HydrophobicContact CD1-CG 3.82Å; L506-E510 WeakPolarHBondContact O-CG 3.36Å; L506-E510 PolarHBondContact O-N 3.35Å; K507-E510 PolarHBondContact O-N 2.97Å; E510-A513 PolarHBondContact O-N 3.28Å; E510-Y514 WeakPolarHBondContact O-CB 3.45Å; E510-Y514 PolarHBondContact O-N 2.69Å
511	I	91.7	Very high	88.8	Confident	5 Å²	5	53.8 Å²	53.8	3%	0.026	29%	0.291	C	S	.	.	H	α-helix	trans	-60.9	-50.9	171.7	-69.3	159.9	0	0	0	110.6	L471 M474 F494 L498 K507 K508 A509 A513 Y514 L515	L471-I511 HydrophobicContact CB-CG2 4.08Å; L471-I511 WeakPolarHBondContact O-CD1 3.43Å; M474-I511 HydrophobicContact CG-CD1 4.05Å; F494-I511 HydrophobicContact CZ-CG1 4.33Å; L498-I511 HydrophobicContact CD1-CD1 3.73Å; L498-I511 HydrophobicContact CD1-CG1 3.35Å; K507-I511 WeakPolarHBondContact O-CD1 3.03Å; K507-I511 VanDerWaalsContact O-CG1 3.28Å; K507-I511 WeakPolarHBondContact O-CG1 3.35Å; K507-I511 PolarHBondContact O-N 3.24Å; K508-I511 PolarHBondContact O-N 3.3Å; A509-I511 VanDerWaalsContact C-N 3.34Å; A509-I511 PolarHBondContact O-N 2.94Å; I511-A513 VanDerWaalsContact C-N 3.3Å; I511-A513 PolarHBondContact O-N 3.1Å; I511-Y514 PolarHBondContact O-N 3.12Å; I511-L515 HydrophobicContact CG2-CD1 3.74Å; I511-L515 HydrophobicContact CG2-CG 4.37Å; I511-L515 VanDerWaalsContact O-CG 3.28Å; I511-L515 WeakPolarHBondContact O-CG 2.92Å; I511-L515 PolarHBondContact O-N 3.46Å
512	Y	91.8	Very high	89	Confident	37 Å²	37	52.5 Å²	52.5	15%	0.145	28%	0.284	C	S	.	.	H	α-helix	trans	-62.6	-38.1	178.9	-72	-48.3	0	0	0	112.2	K508 A509 L515 G516 E517 Q520 Q524	K508-Y512 HydrophobicContact CD-CE2 4.1Å; K508-Y512 WeakPolarHBondContact CE-OH 3.41Å; K508-Y512 HydrophobicContact CG-CD2 4.08Å; K508-Y512 HydrophobicContact CG-CE2 3.58Å; K508-Y512 WeakPolarHBondContact O-CD2 3.4Å; K508-Y512 PolarHBondContact O-N 2.99Å; A509-Y512 PolarHBondContact O-N 3.19Å; Y512-L515 PolarHBondContact O-N 3.19Å; Y512-G516 PolarHBondContact O-N 3.43Å; Y512-E517 HydrophobicContact CD1-CB 4.18Å; Y512-E517 WeakPolarHBondContact CD1-OE2 3.44Å; Y512-E517 WeakPolarHBondContact CE1-OE2 3.23Å; Y512-E517 WeakPolarHBondContact O-CA 3.28Å; Y512-E517 PolarHBondContact O-N 3.44Å; Y512-Q520 HydrophobicContact CD1-CB 4.04Å; Y512-Q520 HydrophobicContact CD2-CB 3.77Å; Y512-Q520 HydrophobicContact CE1-CB 4.32Å; Y512-Q520 HydrophobicContact CE2-CB 4.03Å; Y512-Q520 HydrophobicContact CG-CB 3.79Å; Y512-Q524 HydrophobicContact CD2-CG 3.98Å; Y512-Q524 HydrophobicContact CE2-CG 3.93Å
513	A	90.1	Very high	89.3	Confident	26 Å²	26	51.2 Å²	51.2	22%	0.215	27%	0.267	C	S	.	.	H	α-helix	trans	-63.3	-42.8	174.9	0	0	0	0	0	112	A509 E510 I511 L515 G516 A521 L537	A509-A513 WeakPolarHBondContact O-CB 3.49Å; A509-A513 PolarHBondContact O-N 2.59Å; E510-A513 PolarHBondContact O-N 3.28Å; I511-A513 VanDerWaalsContact C-N 3.3Å; I511-A513 PolarHBondContact O-N 3.1Å; A513-L515 VanDerWaalsContact C-N 3.33Å; A513-L515 PolarHBondContact O-N 3.05Å; A513-G516 PolarHBondContact O-N 3.28Å; A513-A521 HydrophobicContact CB-CB 4.18Å; A513-L537 HydrophobicContact CB-CD1 3.77Å; A513-L537 HydrophobicContact CB-CD2 4.38Å
514	Y	89.7	Confident	89.4	Confident	80 Å²	80	49.6 Å²	49.6	31%	0.314	26%	0.258	S	S	.	.	H	α-helix	trans	-62.6	-38.3	175.8	-179.8	-96.1	0	0	0	112.5	L471 F483 G491 F494 E510 I511 G516	L471-Y514 HydrophobicContact CD1-CD1 3.97Å; L471-Y514 HydrophobicContact CD1-CE1 3.93Å; F483-Y514 HydrophobicContact CZ-CE1 4.38Å; G491-Y514 WeakPolarHBondContact CA-OH 3.24Å; F494-Y514 HydrophobicContact CB-CD2 4.01Å; F494-Y514 HydrophobicContact CB-CE2 3.81Å; F494-Y514 HydrophobicContact CD1-CD1 4.1Å; F494-Y514 AromaticContact CD1-CD2 3.84Å; F494-Y514 HydrophobicContact CD1-CD2 3.84Å; F494-Y514 HydrophobicContact CD1-CE1 4.35Å; F494-Y514 HydrophobicContact CD1-CE2 4.1Å; F494-Y514 AromaticContact CD1-CG 3.85Å; F494-Y514 HydrophobicContact CD1-CG 3.85Å; F494-Y514 AromaticContact CD2-CD2 3.64Å; F494-Y514 HydrophobicContact CD2-CD2 3.64Å; F494-Y514 HydrophobicContact CD2-CE2 4.33Å; F494-Y514 HydrophobicContact CD2-CG 4.06Å; F494-Y514 HydrophobicContact CE1-CD1 4.06Å; F494-Y514 HydrophobicContact CE1-CD2 4.24Å; F494-Y514 AromaticContact CE1-CG 3.81Å; F494-Y514 HydrophobicContact CE1-CG 3.81Å; F494-Y514 HydrophobicContact CE2-CD2 4.06Å; F494-Y514 HydrophobicContact CE2-CG 4.03Å; F494-Y514 AromaticContact CG-CD2 3.53Å; F494-Y514 HydrophobicContact CG-CD2 3.53Å; F494-Y514 AromaticContact CG-CE2 3.81Å; F494-Y514 HydrophobicContact CG-CE2 3.81Å; F494-Y514 AromaticContact CG-CG 3.97Å; F494-Y514 HydrophobicContact CG-CG 3.97Å; F494-Y514 HydrophobicContact CZ-CD2 4.34Å; F494-Y514 AromaticContact CZ-CG 3.91Å; F494-Y514 HydrophobicContact CZ-CG 3.91Å; E510-Y514 WeakPolarHBondContact O-CB 3.45Å; E510-Y514 PolarHBondContact O-N 2.69Å; I511-Y514 PolarHBondContact O-N 3.12Å; Y514-G516 PolarHBondContact O-N 3.44Å
515	L	87.7	Confident	89.6	Confident	32 Å²	32	46.1 Å²	46.1	17%	0.168	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-1.1	177.9	-63.6	173.5	0	0	0	113.7	E468 R472 I511 Y512 A513 E517	E468-L515 HydrophobicContact CB-CD2 3.72Å; E468-L515 HydrophobicContact CG-CD2 3.61Å; R472-L515 HydrophobicContact CG-CD1 3.53Å; I511-L515 HydrophobicContact CG2-CD1 3.74Å; I511-L515 HydrophobicContact CG2-CG 4.37Å; I511-L515 VanDerWaalsContact O-CG 3.28Å; I511-L515 WeakPolarHBondContact O-CG 2.92Å; I511-L515 PolarHBondContact O-N 3.46Å; Y512-L515 PolarHBondContact O-N 3.19Å; A513-L515 VanDerWaalsContact C-N 3.33Å; A513-L515 PolarHBondContact O-N 3.05Å; L515-E517 VanDerWaalsContact C-N 3.29Å; L515-E517 HydrophobicContact CB-CG 4.44Å; L515-E517 PolarHBondContact O-N 3.26Å
516	G	84.1	Confident	89.5	Confident	53 Å²	53	46.3 Å²	46.3	55%	0.546	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	8.5	-177.2	0	0	0	0	0	114.8	Y512 A513 Y514 I518	Y512-G516 PolarHBondContact O-N 3.43Å; A513-G516 PolarHBondContact O-N 3.28Å; Y514-G516 PolarHBondContact O-N 3.44Å; G516-I518 VanDerWaalsContact C-N 3.28Å; G516-I518 PolarHBondContact O-N 3.26Å
517	E	86.7	Confident	89.4	Confident	61 Å²	61	51.3 Å²	51.3	29%	0.285	26%	0.258	S	S	.	.			trans	-85.8	66.5	178.8	-62.8	-167.6	166.4	0	0	111.6	R472 Y512 L515 D519 Q520 A521	R472-E517 IonicContact CZ-OE1 3.58Å; R472-E517 IonicContact CZ-OE2 3.06Å; R472-E517 IonicContact NH1-OE1 2.68Å; R472-E517 PolarHBondContact NH1-OE1 3.29Å; R472-E517 IonicContact NH1-OE2 3.9Å; R472-E517 PolarHBondContact NH1-OE2 3.45Å; R472-E517 IonicContact NH2-OE1 3.85Å; R472-E517 PolarHBondContact NH2-OE1 3.35Å; R472-E517 IonicContact NH2-OE2 2.65Å; Y512-E517 HydrophobicContact CD1-CB 4.18Å; Y512-E517 WeakPolarHBondContact CD1-OE2 3.44Å; Y512-E517 WeakPolarHBondContact CE1-OE2 3.23Å; Y512-E517 WeakPolarHBondContact O-CA 3.28Å; Y512-E517 PolarHBondContact O-N 3.44Å; L515-E517 VanDerWaalsContact C-N 3.29Å; L515-E517 HydrophobicContact CB-CG 4.44Å; L515-E517 PolarHBondContact O-N 3.26Å; E517-D519 VanDerWaalsContact C-N 3.3Å; E517-D519 PolarHBondContact O-N 3.14Å; E517-Q520 HydrophobicContact CB-CB 4.39Å; E517-Q520 PolarHBondContact O-N 2.91Å; E517-Q520 VanDerWaalsContact O-N 3.15Å; E517-A521 PolarHBondContact O-N 2.9Å
518	I	87.3	Confident	89.3	Confident	36 Å²	36	50.1 Å²	50.1	19%	0.185	26%	0.256	C	S	.	.	H	α-helix	trans	-59.3	-38.7	-170.5	-52	-52.7	0	0	0	112.5	G516 Q520 A521 E522 L537 C541	G516-I518 VanDerWaalsContact C-N 3.28Å; G516-I518 PolarHBondContact O-N 3.26Å; I518-Q520 PolarHBondContact O-N 3Å; I518-A521 PolarHBondContact O-N 3.49Å; I518-E522 WeakPolarHBondContact O-CB 3.29Å; I518-E522 PolarHBondContact O-N 2.9Å; I518-L537 HydrophobicContact CD1-CD1 4.15Å; I518-L537 HydrophobicContact CD1-CD2 4.47Å; I518-L537 HydrophobicContact CD1-CG 4.4Å; I518-L537 HydrophobicContact CG2-CD2 3.95Å; I518-L537 HydrophobicContact CG2-CG 4.17Å; I518-C541 VanDerWaalsContact CD1-SG 3.56Å
519	D	86	Confident	89	Confident	114 Å²	114	49.3 Å²	49.3	61%	0.61	27%	0.268	S	S	*	.	H	α-helix	trans	-66.6	-35.4	-179.6	-68.1	-29.3	0	0	0	112.9	E517 K523	E517-D519 VanDerWaalsContact C-N 3.3Å; E517-D519 PolarHBondContact O-N 3.14Å; D519-K523 WeakPolarHBondContact O-CG 3.36Å; D519-K523 PolarHBondContact O-N 2.97Å
520	Q	88.7	Confident	88.7	Confident	78 Å²	78	53.9 Å²	53.9	36%	0.364	29%	0.285	S	S	.	.	H	α-helix	trans	-76.3	-38.9	176.6	-62.2	-62.4	-18.4	0	0	110.6	Y512 E517 I518 E522 K523 Q524	Y512-Q520 HydrophobicContact CD1-CB 4.04Å; Y512-Q520 HydrophobicContact CD2-CB 3.77Å; Y512-Q520 HydrophobicContact CE1-CB 4.32Å; Y512-Q520 HydrophobicContact CE2-CB 4.03Å; Y512-Q520 HydrophobicContact CG-CB 3.79Å; E517-Q520 HydrophobicContact CB-CB 4.39Å; E517-Q520 PolarHBondContact O-N 2.91Å; E517-Q520 VanDerWaalsContact O-N 3.15Å; I518-Q520 PolarHBondContact O-N 3Å; Q520-E522 VanDerWaalsContact C-N 3.35Å; Q520-E522 PolarHBondContact O-N 2.91Å; Q520-K523 PolarHBondContact O-N 2.92Å; Q520-Q524 WeakPolarHBondContact O-CG 3.19Å; Q520-Q524 PolarHBondContact O-N 2.89Å; Q520-Q524 VanDerWaalsContact O-N 3.07Å
521	A	91.1	Very high	88.6	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-58.2	-46.4	171.7	0	0	0	0	0	111.3	A509 A513 E517 I518 K523 Q524 L525 L537	A509-A521 WeakPolarHBondContact O-CB 3.25Å; A513-A521 HydrophobicContact CB-CB 4.18Å; E517-A521 PolarHBondContact O-N 2.9Å; I518-A521 PolarHBondContact O-N 3.49Å; A521-K523 PolarHBondContact O-N 2.81Å; A521-Q524 PolarHBondContact O-N 3.37Å; A521-L525 WeakPolarHBondContact O-CB 3.3Å; A521-L525 VanDerWaalsContact O-CG 3.25Å; A521-L525 WeakPolarHBondContact O-CG 3.4Å; A521-L525 PolarHBondContact O-N 3.04Å; A521-L537 HydrophobicContact CB-CD2 3.61Å
522	E	90.8	Very high	88.3	Confident	19 Å²	19	56.1 Å²	56.1	9%	0.089	30%	0.3	C	S	.	.	H	α-helix	trans	-55.4	-49	175.5	176.7	-178.1	152.7	0	0	111.4	I518 Q520 Q524 L525 I526 H538 K546	I518-E522 WeakPolarHBondContact O-CB 3.29Å; I518-E522 PolarHBondContact O-N 2.9Å; Q520-E522 VanDerWaalsContact C-N 3.35Å; Q520-E522 PolarHBondContact O-N 2.91Å; E522-Q524 PolarHBondContact O-N 3.09Å; E522-L525 PolarHBondContact O-N 3.41Å; E522-I526 HydrophobicContact CG-CD1 3.61Å; E522-I526 HydrophobicContact CG-CG1 4.28Å; E522-I526 WeakPolarHBondContact O-CB 3.44Å; E522-I526 VanDerWaalsContact O-CG1 3.29Å; E522-I526 WeakPolarHBondContact O-CG1 3.17Å; E522-I526 PolarHBondContact O-N 2.98Å; E522-H538 IonicContact OE2-CD2 3.25Å; E522-H538 IonicContact OE2-CE1 3.48Å; E522-H538 PolarHBondContact OE2-CE1 3.18Å; E522-H538 IonicContact OE2-NE2 2.84Å; E522-H538 PolarHBondContact OE2-NE2 3.11Å; E522-K546 WeakPolarHBondContact OE1-CE 3.39Å; E522-K546 IonicContact OE1-NZ 3.94Å; E522-K546 PolarHBondContact OE1-NZ 3.3Å; E522-K546 WeakPolarHBondContact OE2-CE 3.45Å; E522-K546 IonicContact OE2-NZ 2.97Å
523	K	90.8	Very high	88.2	Confident	112 Å²	112	56.7 Å²	56.7	49%	0.487	31%	0.305	S	S	.	.	H	α-helix	trans	-58.2	-47.1	178.9	-73.2	173.3	-174.1	173.7	0	112	D519 Q520 A521 I526 E527	D519-K523 WeakPolarHBondContact O-CG 3.36Å; D519-K523 PolarHBondContact O-N 2.97Å; Q520-K523 PolarHBondContact O-N 2.92Å; A521-K523 PolarHBondContact O-N 2.81Å; K523-I526 PolarHBondContact O-N 3.26Å; K523-E527 WeakPolarHBondContact O-CB 3.49Å; K523-E527 VanDerWaalsContact O-CG 3.31Å; K523-E527 WeakPolarHBondContact O-CG 3.36Å; K523-E527 PolarHBondContact O-N 2.8Å
524	Q	90.7	Very high	88.1	Confident	17 Å²	17	55.5 Å²	55.5	8%	0.079	30%	0.295	C	S	.	.	H	α-helix	trans	-66.3	-37.4	179.1	-62.9	-55.1	-83.2	0	0	112.1	K508 A509 Y512 Q520 A521 E522 E527 S528	K508-Q524 HydrophobicContact CD-CG 4.47Å; K508-Q524 HydrophobicContact CG-CG 4.4Å; A509-Q524 HydrophobicContact CB-CB 3.88Å; Y512-Q524 HydrophobicContact CD2-CG 3.98Å; Y512-Q524 HydrophobicContact CE2-CG 3.93Å; Q520-Q524 WeakPolarHBondContact O-CG 3.19Å; Q520-Q524 PolarHBondContact O-N 2.89Å; Q520-Q524 VanDerWaalsContact O-N 3.07Å; A521-Q524 PolarHBondContact O-N 3.37Å; E522-Q524 PolarHBondContact O-N 3.09Å; Q524-E527 PolarHBondContact NE2-OE2 2.98Å; Q524-E527 PolarHBondContact O-N 3.25Å; Q524-S528 WeakPolarHBondContact O-CB 3.17Å; Q524-S528 PolarHBondContact O-N 3.16Å; Q524-S528 PolarHBondContact O-OG 3.48Å
525	L	90.1	Very high	88	Confident	8 Å²	8	52.3 Å²	52.3	4%	0.042	28%	0.283	C	S	.	.	H	α-helix	trans	-67	-41.7	176.2	-70.2	172.3	0	0	0	112.1	L506 A509 A521 E522 S528 G529 R530 L533 A534 L537	L506-L525 HydrophobicContact CD2-CD2 3.88Å; A509-L525 HydrophobicContact CB-CD2 3.56Å; A509-L525 HydrophobicContact CB-CG 3.69Å; A521-L525 WeakPolarHBondContact O-CB 3.3Å; A521-L525 VanDerWaalsContact O-CG 3.25Å; A521-L525 WeakPolarHBondContact O-CG 3.4Å; A521-L525 PolarHBondContact O-N 3.04Å; E522-L525 PolarHBondContact O-N 3.41Å; L525-S528 PolarHBondContact O-N 2.85Å; L525-S528 PolarHBondContact O-OG 3.21Å; L525-G529 PolarHBondContact O-N 3.13Å; L525-R530 PolarHBondContact O-N 3.14Å; L525-L533 HydrophobicContact CD1-CB 4.17Å; L525-L533 HydrophobicContact CD2-CB 3.83Å; L525-L533 HydrophobicContact CD2-CD1 4.09Å; L525-A534 HydrophobicContact CB-CB 4.03Å; L525-A534 HydrophobicContact CD1-CB 4.21Å; L525-L537 HydrophobicContact CD1-CD2 4.17Å
526	I	88	Confident	88	Confident	66 Å²	66	52.9 Å²	52.9	34%	0.338	29%	0.293	S	S	.	.	H	α-helix	trans	-64.9	-44.2	175.4	-67.2	172	0	0	0	110.4	E522 K523 S528 G529 L550	E522-I526 HydrophobicContact CG-CD1 3.61Å; E522-I526 HydrophobicContact CG-CG1 4.28Å; E522-I526 WeakPolarHBondContact O-CB 3.44Å; E522-I526 VanDerWaalsContact O-CG1 3.29Å; E522-I526 WeakPolarHBondContact O-CG1 3.17Å; E522-I526 PolarHBondContact O-N 2.98Å; K523-I526 PolarHBondContact O-N 3.26Å; I526-S528 VanDerWaalsContact C-N 3.31Å; I526-S528 PolarHBondContact O-N 2.98Å; I526-G529 PolarHBondContact O-N 2.77Å; I526-L550 HydrophobicContact CD1-CD2 4.33Å
527	E	89.2	Confident	88.2	Confident	130 Å²	130	51.5 Å²	51.5	61%	0.607	27%	0.272	S	S	*	.	H	α-helix	trans	-62.1	-35.7	176.5	-76.6	173.5	179.5	0	0	112.6	K523 Q524 G529	K523-E527 WeakPolarHBondContact O-CB 3.49Å; K523-E527 VanDerWaalsContact O-CG 3.31Å; K523-E527 WeakPolarHBondContact O-CG 3.36Å; K523-E527 PolarHBondContact O-N 2.8Å; Q524-E527 PolarHBondContact NE2-OE2 2.98Å; Q524-E527 PolarHBondContact O-N 3.25Å; E527-G529 PolarHBondContact O-N 2.77Å
528	S	88.4	Confident	88.3	Confident	26 Å²	26	48.6 Å²	48.6	18%	0.182	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-4.5	173.4	72.4	0	0	0	0	114.2	Q524 L525 I526 R530	Q524-S528 WeakPolarHBondContact O-CB 3.17Å; Q524-S528 PolarHBondContact O-N 3.16Å; Q524-S528 PolarHBondContact O-OG 3.48Å; L525-S528 PolarHBondContact O-N 2.85Å; L525-S528 PolarHBondContact O-OG 3.21Å; I526-S528 VanDerWaalsContact C-N 3.31Å; I526-S528 PolarHBondContact O-N 2.98Å; S528-R530 VanDerWaalsContact C-N 3.29Å; S528-R530 PolarHBondContact O-N 2.78Å
529	G	84.2	Confident	88.3	Confident	56 Å²	56	51.2 Å²	51.2	58%	0.577	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	10.9	-176.6	0	0	0	0	0	114.6	L525 I526 E527 I531	L525-G529 PolarHBondContact O-N 3.13Å; I526-G529 PolarHBondContact O-N 2.77Å; E527-G529 PolarHBondContact O-N 2.77Å; G529-I531 PolarHBondContact O-N 2.72Å
530	R	85.6	Confident	88.3	Confident	97 Å²	97	54.4 Å²	54.4	37%	0.366	28%	0.275	S	S	.	.			trans	-102	64.6	-177.3	-65.1	-60.9	-58	-85.4	0.3	112.3	L506 L525 S528 D532 L533 A534	L506-R530 HydrophobicContact CD2-CB 4.39Å; L506-R530 HydrophobicContact CD2-CG 4.18Å; L525-R530 PolarHBondContact O-N 3.14Å; S528-R530 VanDerWaalsContact C-N 3.29Å; S528-R530 PolarHBondContact O-N 2.78Å; R530-D532 VanDerWaalsContact C-OD1 3.23Å; R530-D532 VanDerWaalsContact CA-OD1 3.3Å; R530-D532 WeakPolarHBondContact CA-OD1 3.22Å; R530-D532 IonicContact CZ-OD1 3.96Å; R530-D532 IonicContact CZ-OD2 2.89Å; R530-D532 IonicContact NE-OD1 3.08Å; R530-D532 PolarHBondContact NE-OD1 3.04Å; R530-D532 IonicContact NE-OD2 2.74Å; R530-D532 PolarHBondContact NE-OD2 3.49Å; R530-D532 IonicContact NH2-OD1 3.97Å; R530-D532 IonicContact NH2-OD2 3.53Å; R530-D532 PolarHBondContact NH2-OD2 3.12Å; R530-D532 PolarHBondContact O-N 3.11Å; R530-L533 HydrophobicContact CB-CB 4.31Å; R530-L533 HydrophobicContact CB-CD1 3.86Å; R530-L533 HydrophobicContact CB-CG 4.11Å; R530-L533 HydrophobicContact CG-CD1 4.27Å; R530-L533 PolarHBondContact O-N 3.28Å; R530-L533 VanDerWaalsContact O-N 3.14Å; R530-A534 PolarHBondContact O-N 3.27Å
531	I	87.1	Confident	88	Confident	45 Å²	45	53.7 Å²	53.7	23%	0.231	28%	0.278	C	S	.	.	H	α-helix	trans	-64.3	-29	179.1	-61.9	161.8	0	0	0	111.5	G529 L533 A534 I535 N554	G529-I531 PolarHBondContact O-N 2.72Å; I531-L533 VanDerWaalsContact C-N 3.28Å; I531-L533 PolarHBondContact O-N 3.49Å; I531-A534 PolarHBondContact O-N 3.4Å; I531-I535 HydrophobicContact CG2-CD1 4.14Å; I531-I535 HydrophobicContact CG2-CG1 4.46Å; I531-I535 WeakPolarHBondContact O-CG1 3.49Å; I531-I535 PolarHBondContact O-N 3.02Å; I531-N554 HydrophobicContact CD1-CB 3.94Å; I531-N554 HydrophobicContact CG2-CB 4.1Å
532	D	87	Confident	87.6	Confident	86 Å²	86	62.6 Å²	62.6	46%	0.46	31%	0.311	S	S	.	.	H	α-helix	trans	-55.8	-41.9	172.7	61	-45.6	0	0	0	112.2	R530 A536	R530-D532 VanDerWaalsContact C-OD1 3.23Å; R530-D532 VanDerWaalsContact CA-OD1 3.3Å; R530-D532 WeakPolarHBondContact CA-OD1 3.22Å; R530-D532 IonicContact CZ-OD1 3.96Å; R530-D532 IonicContact CZ-OD2 2.89Å; R530-D532 IonicContact NE-OD1 3.08Å; R530-D532 PolarHBondContact NE-OD1 3.04Å; R530-D532 IonicContact NE-OD2 2.74Å; R530-D532 PolarHBondContact NE-OD2 3.49Å; R530-D532 IonicContact NH2-OD1 3.97Å; R530-D532 IonicContact NH2-OD2 3.53Å; R530-D532 PolarHBondContact NH2-OD2 3.12Å; R530-D532 PolarHBondContact O-N 3.11Å; D532-A536 WeakPolarHBondContact O-CB 3.32Å; D532-A536 PolarHBondContact O-N 3.21Å
533	L	88.7	Confident	87.2	Confident	49 Å²	49	65 Å²	65	26%	0.257	33%	0.325	S	S	.	.	H	α-helix	trans	-72.3	-36.5	176.8	-63.4	-179.6	0	0	0	111.9	L506 L525 R530 I531 I535 A536 L537	L506-L533 HydrophobicContact CD2-CD1 3.91Å; L525-L533 HydrophobicContact CD1-CB 4.17Å; L525-L533 HydrophobicContact CD2-CB 3.83Å; L525-L533 HydrophobicContact CD2-CD1 4.09Å; R530-L533 HydrophobicContact CB-CB 4.31Å; R530-L533 HydrophobicContact CB-CD1 3.86Å; R530-L533 HydrophobicContact CB-CG 4.11Å; R530-L533 HydrophobicContact CG-CD1 4.27Å; R530-L533 PolarHBondContact O-N 3.28Å; R530-L533 VanDerWaalsContact O-N 3.14Å; I531-L533 VanDerWaalsContact C-N 3.28Å; I531-L533 PolarHBondContact O-N 3.49Å; L533-I535 VanDerWaalsContact C-N 3.34Å; L533-I535 PolarHBondContact O-N 2.77Å; L533-A536 PolarHBondContact O-N 2.86Å; L533-L537 WeakPolarHBondContact O-CB 3.49Å; L533-L537 PolarHBondContact O-N 3.29Å
534	A	88.8	Confident	86.9	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-63.2	-41.6	175.2	0	0	0	0	0	111.5	L525 R530 I531 L537 H538 L550	L525-A534 HydrophobicContact CB-CB 4.03Å; L525-A534 HydrophobicContact CD1-CB 4.21Å; R530-A534 PolarHBondContact O-N 3.27Å; I531-A534 PolarHBondContact O-N 3.4Å; A534-L537 PolarHBondContact O-N 2.81Å; A534-H538 PolarHBondContact O-CD2 3.14Å; A534-H538 PolarHBondContact O-N 3.14Å; A534-H538 VanDerWaalsContact O-N 3.13Å; A534-L550 HydrophobicContact CB-CD1 4.4Å
535	I	87.2	Confident	86.7	Confident	13 Å²	13	67.2 Å²	67.2	7%	0.067	33%	0.334	C	S	.	.	H	α-helix	trans	-62.6	-46.1	172.9	-71.1	168.8	0	0	0	110.5	I531 L533 L537 H538 R539 V547 L550 M551 L555	I531-I535 HydrophobicContact CG2-CD1 4.14Å; I531-I535 HydrophobicContact CG2-CG1 4.46Å; I531-I535 WeakPolarHBondContact O-CG1 3.49Å; I531-I535 PolarHBondContact O-N 3.02Å; L533-I535 VanDerWaalsContact C-N 3.34Å; L533-I535 PolarHBondContact O-N 2.77Å; I535-L537 VanDerWaalsContact C-N 3.3Å; I535-L537 PolarHBondContact O-N 3.02Å; I535-H538 PolarHBondContact O-N 2.89Å; I535-R539 HydrophobicContact CG2-CG 4.43Å; I535-R539 VanDerWaalsContact O-CG 3.29Å; I535-R539 WeakPolarHBondContact O-CG 3.48Å; I535-R539 PolarHBondContact O-N 2.84Å; I535-V547 HydrophobicContact CG2-CG1 4.2Å; I535-L550 HydrophobicContact CG1-CB 3.98Å; I535-L550 HydrophobicContact CG1-CD1 4.43Å; I535-M551 HydrophobicContact CD1-CG 3.94Å; I535-M551 HydrophobicContact CG2-CE 3.84Å; I535-L555 HydrophobicContact CD1-CD1 3.69Å
536	A	87.9	Confident	86.4	Confident	45 Å²	45	69.2 Å²	69.2	37%	0.372	34%	0.342	S	S	.	.	H	α-helix	trans	-61.8	-37.3	178.9	0	0	0	0	0	112.5	D532 L533 R539 K540	D532-A536 WeakPolarHBondContact O-CB 3.32Å; D532-A536 PolarHBondContact O-N 3.21Å; L533-A536 PolarHBondContact O-N 2.86Å; A536-R539 PolarHBondContact O-N 2.78Å; A536-K540 WeakPolarHBondContact O-CG 3.35Å; A536-K540 PolarHBondContact O-N 3.27Å; A536-K540 VanDerWaalsContact O-N 3.08Å
537	L	88.9	Confident	86.3	Confident	23 Å²	23	66 Å²	66	12%	0.12	33%	0.326	C	S	.	.	H	α-helix	trans	-62.2	-52.5	175.2	-178	64.6	0	0	0	111.3	A513 I518 A521 L525 L533 A534 I535 R539 K540 C541	A513-L537 HydrophobicContact CB-CD1 3.77Å; A513-L537 HydrophobicContact CB-CD2 4.38Å; I518-L537 HydrophobicContact CD1-CD1 4.15Å; I518-L537 HydrophobicContact CD1-CD2 4.47Å; I518-L537 HydrophobicContact CD1-CG 4.4Å; I518-L537 HydrophobicContact CG2-CD2 3.95Å; I518-L537 HydrophobicContact CG2-CG 4.17Å; A521-L537 HydrophobicContact CB-CD2 3.61Å; L525-L537 HydrophobicContact CD1-CD2 4.17Å; L533-L537 WeakPolarHBondContact O-CB 3.49Å; L533-L537 PolarHBondContact O-N 3.29Å; A534-L537 PolarHBondContact O-N 2.81Å; I535-L537 VanDerWaalsContact C-N 3.3Å; I535-L537 PolarHBondContact O-N 3.02Å; L537-R539 VanDerWaalsContact C-N 3.28Å; L537-R539 PolarHBondContact O-N 2.98Å; L537-K540 WeakPolarHBondContact O-CB 3.49Å; L537-K540 PolarHBondContact O-N 2.82Å; L537-C541 PolarHBondContact O-N 2.77Å; L537-C541 PolarHBondContact O-SG 3.41Å; L537-C541 VanDerWaalsContact O-SG 3.4Å
538	H	88.5	Confident	86.1	Confident	1 Å²	1	61 Å²	61	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-64.4	-31.1	179	-79.6	-68.2	0	0	0	113.4	E522 A534 I535 C541 R542 N543 V547	E522-H538 IonicContact OE2-CD2 3.25Å; E522-H538 IonicContact OE2-CE1 3.48Å; E522-H538 PolarHBondContact OE2-CE1 3.18Å; E522-H538 IonicContact OE2-NE2 2.84Å; E522-H538 PolarHBondContact OE2-NE2 3.11Å; A534-H538 PolarHBondContact O-CD2 3.14Å; A534-H538 PolarHBondContact O-N 3.14Å; A534-H538 VanDerWaalsContact O-N 3.13Å; I535-H538 PolarHBondContact O-N 2.89Å; H538-C541 CarbonylContact O-C 3.45Å; H538-C541 PolarHBondContact O-N 2.94Å; H538-R542 PolarHBondContact O-N 3.01Å; H538-R542 VanDerWaalsContact O-N 3.13Å; H538-N543 HydrophobicContact CB-CB 4.39Å; H538-N543 PolarHBondContact O-N 3.32Å; H538-V547 HydrophobicContact CB-CG2 3.58Å
539	R	86.2	Confident	86	Confident	90 Å²	90	64.3 Å²	64.3	34%	0.34	32%	0.315	S	S	.	.	H	α-helix	trans	-63.2	-44	170.5	-72.9	179.2	69.6	172.3	9.4	111.9	I535 A536 L537 C541 R542 W544 V547	I535-R539 HydrophobicContact CG2-CG 4.43Å; I535-R539 VanDerWaalsContact O-CG 3.29Å; I535-R539 WeakPolarHBondContact O-CG 3.48Å; I535-R539 PolarHBondContact O-N 2.84Å; A536-R539 PolarHBondContact O-N 2.78Å; L537-R539 VanDerWaalsContact C-N 3.28Å; L537-R539 PolarHBondContact O-N 2.98Å; R539-C541 VanDerWaalsContact C-N 3.27Å; R539-C541 PolarHBondContact O-N 2.74Å; R539-R542 PolarHBondContact O-N 2.56Å; R539-R542 VanDerWaalsContact O-N 3.14Å; R539-W544 HydrophobicContact CB-CZ3 4.31Å; R539-W544 HydrophobicContact CG-CZ3 3.86Å; R539-V547 HydrophobicContact CG-CG1 4.21Å; R539-V547 HydrophobicContact CG-CG2 3.81Å
540	K	85.7	Confident	86	Confident	181 Å²	181	62 Å²	62	79%	0.787	29%	0.289	S	S	*	.	H	α-helix	trans	-62.1	-36.8	175.1	-73.5	-179.3	-179.6	-179.6	0	111.7	A536 L537 R542	A536-K540 WeakPolarHBondContact O-CG 3.35Å; A536-K540 PolarHBondContact O-N 3.27Å; A536-K540 VanDerWaalsContact O-N 3.08Å; L537-K540 WeakPolarHBondContact O-CB 3.49Å; L537-K540 PolarHBondContact O-N 2.82Å; K540-R542 VanDerWaalsContact C-N 3.26Å; K540-R542 PolarHBondContact O-N 3.43Å
541	C	83.2	Confident	85.9	Confident	63 Å²	63	57.9 Å²	57.9	43%	0.426	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	3.5	176.8	-58.9	0	0	0	0	114.3	I518 L537 H538 R539 N543	I518-C541 VanDerWaalsContact CD1-SG 3.56Å; L537-C541 PolarHBondContact O-N 2.77Å; L537-C541 PolarHBondContact O-SG 3.41Å; L537-C541 VanDerWaalsContact O-SG 3.4Å; H538-C541 CarbonylContact O-C 3.45Å; H538-C541 PolarHBondContact O-N 2.94Å; R539-C541 VanDerWaalsContact C-N 3.27Å; R539-C541 PolarHBondContact O-N 2.74Å; C541-N543 PolarHBondContact O-N 3.3Å; C541-N543 VanDerWaalsContact O-N 3.14Å
542	R	81.8	Confident	85.7	Confident	187 Å²	187	60.8 Å²	60.8	71%	0.706	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	26.6	-174.2	-63.5	-172.6	173.1	-162	-2.9	114.8	H538 R539 K540 W544	H538-R542 PolarHBondContact O-N 3.01Å; H538-R542 VanDerWaalsContact O-N 3.13Å; R539-R542 PolarHBondContact O-N 2.56Å; R539-R542 VanDerWaalsContact O-N 3.14Å; K540-R542 VanDerWaalsContact C-N 3.26Å; K540-R542 PolarHBondContact O-N 3.43Å; R542-W544 VanDerWaalsContact C-N 3.27Å; R542-W544 VanDerWaalsContact O-CD1 3.27Å; R542-W544 PolarHBondContact O-N 2.86Å
543	N	84.1	Confident	85.4	Confident	69 Å²	69	61.9 Å²	61.9	37%	0.369	29%	0.292	S	S	.	.			trans	-86.9	66.2	177.4	-167.7	-8.4	0	0	0	111.1	H538 C541 K545 K546 V547	H538-N543 HydrophobicContact CB-CB 4.39Å; H538-N543 PolarHBondContact O-N 3.32Å; C541-N543 PolarHBondContact O-N 3.3Å; C541-N543 VanDerWaalsContact O-N 3.14Å; N543-K545 VanDerWaalsContact C-N 3.27Å; N543-K545 PolarHBondContact O-N 3.23Å; N543-K546 HydrophobicContact CB-CB 4.37Å; N543-K546 PolarHBondContact O-N 3.32Å; N543-K546 VanDerWaalsContact O-N 3.09Å; N543-K546 PolarHBondContact OD1-N 2.99Å; N543-V547 WeakPolarHBondContact O-CG2 3.2Å; N543-V547 PolarHBondContact O-N 2.92Å
544	W	84.3	Confident	84.6	Confident	28 Å²	28	63.2 Å²	63.2	11%	0.106	30%	0.299	C	S	.	.	H	α-helix	trans	-62.7	-30.1	-171.7	-56.7	115.5	0	0	0	113.9	R539 R542 V547 L548 V566 E569 L570	R539-W544 HydrophobicContact CB-CZ3 4.31Å; R539-W544 HydrophobicContact CG-CZ3 3.86Å; R542-W544 VanDerWaalsContact C-N 3.27Å; R542-W544 VanDerWaalsContact O-CD1 3.27Å; R542-W544 PolarHBondContact O-N 2.86Å; W544-V547 HydrophobicContact CE3-CG2 4.44Å; W544-V547 PolarHBondContact O-N 3.47Å; W544-L548 PolarHBondContact O-N 3.45Å; W544-V566 HydrophobicContact CB-CG1 4.5Å; W544-E569 HydrophobicContact CD2-CB 3.66Å; W544-E569 HydrophobicContact CD2-CG 4.1Å; W544-E569 HydrophobicContact CE3-CB 4.23Å; W544-E569 HydrophobicContact CE3-CG 4.34Å; W544-E569 HydrophobicContact CG-CB 3.86Å; W544-E569 HydrophobicContact CH2-CB 4.49Å; W544-E569 HydrophobicContact CH2-CG 3.85Å; W544-E569 HydrophobicContact CZ2-CB 3.97Å; W544-E569 HydrophobicContact CZ2-CG 3.58Å; W544-E569 WeakPolarHBondContact CZ2-OE2 3.32Å; W544-E569 HydrophobicContact CZ3-CG 4.22Å; W544-L570 HydrophobicContact CB-CD2 3.69Å; W544-L570 HydrophobicContact CB-CG 3.85Å
545	K	85.7	Confident	83.5	Confident	149 Å²	149	67.1 Å²	67.1	65%	0.648	32%	0.319	S	S	*	.	H	α-helix	trans	-61.2	-44.6	174.1	-68.8	-179	-179.7	173.3	0	111	N543 L548 Q549 L570	N543-K545 VanDerWaalsContact C-N 3.27Å; N543-K545 PolarHBondContact O-N 3.23Å; K545-L548 PolarHBondContact O-N 3.42Å; K545-Q549 PolarHBondContact O-N 2.8Å; K545-Q549 VanDerWaalsContact O-N 3.1Å; K545-L570 HydrophobicContact CG-CD2 3.83Å
546	K	84.5	Confident	82.4	Confident	49 Å²	49	69.1 Å²	69.1	21%	0.213	34%	0.343	C	S	.	.	H	α-helix	trans	-72.2	-35.3	178.4	-167.6	62.6	172.4	176.4	0	112.2	E522 N543 L548 Q549 L550	E522-K546 WeakPolarHBondContact OE1-CE 3.39Å; E522-K546 IonicContact OE1-NZ 3.94Å; E522-K546 PolarHBondContact OE1-NZ 3.3Å; E522-K546 WeakPolarHBondContact OE2-CE 3.45Å; E522-K546 IonicContact OE2-NZ 2.97Å; N543-K546 HydrophobicContact CB-CB 4.37Å; N543-K546 PolarHBondContact O-N 3.32Å; N543-K546 VanDerWaalsContact O-N 3.09Å; N543-K546 PolarHBondContact OD1-N 2.99Å; K546-L548 VanDerWaalsContact C-N 3.35Å; K546-Q549 PolarHBondContact O-N 2.83Å; K546-L550 HydrophobicContact CG-CD1 4.34Å; K546-L550 WeakPolarHBondContact O-CB 3.27Å; K546-L550 WeakPolarHBondContact O-CG 3.44Å; K546-L550 PolarHBondContact O-N 2.87Å
547	V	85.6	Confident	81.1	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-57.9	-47.5	170.6	175.5	0	0	0	0	110.9	I535 H538 R539 N543 W544 Q549 L550 M551 V566	I535-V547 HydrophobicContact CG2-CG1 4.2Å; H538-V547 HydrophobicContact CB-CG2 3.58Å; R539-V547 HydrophobicContact CG-CG1 4.21Å; R539-V547 HydrophobicContact CG-CG2 3.81Å; N543-V547 WeakPolarHBondContact O-CG2 3.2Å; N543-V547 PolarHBondContact O-N 2.92Å; W544-V547 HydrophobicContact CE3-CG2 4.44Å; W544-V547 PolarHBondContact O-N 3.47Å; V547-Q549 VanDerWaalsContact C-N 3.33Å; V547-Q549 PolarHBondContact O-N 2.87Å; V547-L550 PolarHBondContact O-N 2.83Å; V547-M551 HydrophobicContact CG1-CE 4Å; V547-M551 HydrophobicContact CG1-CG 4.43Å; V547-M551 HydrophobicContact CG1-SD 4.1Å; V547-M551 WeakPolarHBondContact O-CB 3.15Å; V547-M551 WeakPolarHBondContact O-CG 3.02Å; V547-M551 PolarHBondContact O-N 2.75Å; V547-V566 HydrophobicContact CG1-CG1 4.48Å; V547-V566 HydrophobicContact CG1-CG2 3.7Å
548	L	85.2	Confident	79.6	Confident	25 Å²	25	74.1 Å²	74.1	13%	0.131	37%	0.369	C	S	.	.	H	α-helix	trans	-61	-42.5	178.2	-172.6	69.3	0	0	0	111.6	W544 K545 K546 K552 L563 V566 Y567 L570	W544-L548 PolarHBondContact O-N 3.45Å; K545-L548 PolarHBondContact O-N 3.42Å; K546-L548 VanDerWaalsContact C-N 3.35Å; L548-K552 HydrophobicContact CG-CD 4.31Å; L548-K552 WeakPolarHBondContact O-CB 3.13Å; L548-K552 WeakPolarHBondContact O-CG 3.37Å; L548-K552 PolarHBondContact O-N 2.82Å; L548-L563 HydrophobicContact CD1-CD2 3.87Å; L548-V566 HydrophobicContact CB-CG1 4.02Å; L548-V566 HydrophobicContact CD1-CG1 4.19Å; L548-Y567 HydrophobicContact CD1-CE1 4.07Å; L548-Y567 HydrophobicContact CD2-CE1 4.24Å; L548-L570 HydrophobicContact CD2-CD1 4.11Å
549	Q	86.1	Confident	78	Confident	94 Å²	94	79.1 Å²	79.1	44%	0.439	40%	0.404	S	S	.	.	H	α-helix	trans	-62.2	-52.2	176.3	-175.4	-179	5.2	0	0	111.5	K545 K546 V547 M551 K552 D553	K545-Q549 PolarHBondContact O-N 2.8Å; K545-Q549 VanDerWaalsContact O-N 3.1Å; K546-Q549 PolarHBondContact O-N 2.83Å; V547-Q549 VanDerWaalsContact C-N 3.33Å; V547-Q549 PolarHBondContact O-N 2.87Å; Q549-M551 VanDerWaalsContact C-N 3.26Å; Q549-M551 PolarHBondContact O-N 3.02Å; Q549-K552 PolarHBondContact O-N 3.48Å; Q549-D553 VanDerWaalsContact CG-OD2 3.23Å; Q549-D553 WeakPolarHBondContact CG-OD2 3.5Å; Q549-D553 PolarHBondContact NE2-OD2 3.08Å; Q549-D553 WeakPolarHBondContact O-CB 3.24Å; Q549-D553 VanDerWaalsContact O-CG 3.3Å; Q549-D553 PolarHBondContact O-N 3.42Å
550	L	84.8	Confident	76.9	Confident	7 Å²	7	77.2 Å²	77.2	4%	0.037	40%	0.4	C	S	.	.	H	α-helix	trans	-61.5	-34.6	-179.8	-71.7	173.6	0	0	0	112.4	I526 A534 I535 K546 V547 N554	I526-L550 HydrophobicContact CD1-CD2 4.33Å; A534-L550 HydrophobicContact CB-CD1 4.4Å; I535-L550 HydrophobicContact CG1-CB 3.98Å; I535-L550 HydrophobicContact CG1-CD1 4.43Å; K546-L550 HydrophobicContact CG-CD1 4.34Å; K546-L550 WeakPolarHBondContact O-CB 3.27Å; K546-L550 WeakPolarHBondContact O-CG 3.44Å; K546-L550 PolarHBondContact O-N 2.87Å; V547-L550 PolarHBondContact O-N 2.83Å; L550-N554 WeakPolarHBondContact O-CB 3.36Å; L550-N554 PolarHBondContact O-N 3.45Å
551	M	83.2	Confident	76.1	Confident	11 Å²	11	74 Å²	74	5%	0.054	40%	0.396	C	S	.	.	H	α-helix	trans	-70	-44.4	175.1	-75.1	-174.3	169.8	0	0	112.6	I535 V547 Q549 L555 R562 L563 V566	I535-M551 HydrophobicContact CD1-CG 3.94Å; I535-M551 HydrophobicContact CG2-CE 3.84Å; V547-M551 HydrophobicContact CG1-CE 4Å; V547-M551 HydrophobicContact CG1-CG 4.43Å; V547-M551 HydrophobicContact CG1-SD 4.1Å; V547-M551 WeakPolarHBondContact O-CB 3.15Å; V547-M551 WeakPolarHBondContact O-CG 3.02Å; V547-M551 PolarHBondContact O-N 2.75Å; Q549-M551 VanDerWaalsContact C-N 3.26Å; Q549-M551 PolarHBondContact O-N 3.02Å; M551-L555 HydrophobicContact CG-CD1 4.36Å; M551-L555 WeakPolarHBondContact O-CB 3.44Å; M551-L555 PolarHBondContact O-N 3.02Å; M551-R562 HydrophobicContact CE-CB 4.26Å; M551-L563 HydrophobicContact CB-CD2 4.27Å; M551-L563 HydrophobicContact SD-CD2 4.01Å; M551-V566 HydrophobicContact CE-CG2 4.47Å; M551-V566 HydrophobicContact SD-CG2 4.13Å
552	K	82.3	Confident	75.7	Confident	107 Å²	107	76.9 Å²	76.9	47%	0.465	40%	0.398	S	S	.	.	H	α-helix	trans	-67.7	-46.2	179.3	-75.9	-177.7	178.2	-179.6	0	112.1	L548 Q549	L548-K552 HydrophobicContact CG-CD 4.31Å; L548-K552 WeakPolarHBondContact O-CB 3.13Å; L548-K552 WeakPolarHBondContact O-CG 3.37Å; L548-K552 PolarHBondContact O-N 2.82Å; Q549-K552 PolarHBondContact O-N 3.48Å
553	D	81.3	Confident	75.6	Confident	109 Å²	109	68.4 Å²	68.4	58%	0.583	37%	0.366	S	S	*	.	H	α-helix	trans	-71.6	-41.7	-172.7	-68	-8.9	0	0	0	112.2	Q549	Q549-D553 VanDerWaalsContact CG-OD2 3.23Å; Q549-D553 WeakPolarHBondContact CG-OD2 3.5Å; Q549-D553 PolarHBondContact NE2-OD2 3.08Å; Q549-D553 WeakPolarHBondContact O-CB 3.24Å; Q549-D553 VanDerWaalsContact O-CG 3.3Å; Q549-D553 PolarHBondContact O-N 3.42Å
554	N	71.4	Confident	75.6	Confident	77 Å²	77	67.5 Å²	67.5	41%	0.412	36%	0.362	S	S	.	.	H	α-helix	trans	-102.8	-30.5	-169.3	-67.1	-38.3	0	0	0	114.9	I531 L550	I531-N554 HydrophobicContact CD1-CB 3.94Å; I531-N554 HydrophobicContact CG2-CB 4.1Å; L550-N554 WeakPolarHBondContact O-CB 3.36Å; L550-N554 PolarHBondContact O-N 3.45Å
555	L	66.4	Low	75.7	Confident	81 Å²	81	70.1 Å²	70.1	42%	0.424	38%	0.375	S	S	.	.	H	α-helix	trans	-99.8	-15.4	-174.4	-67.1	161.4	0	0	0	112.4	I535 M551 I557	I535-L555 HydrophobicContact CD1-CD1 3.69Å; M551-L555 HydrophobicContact CG-CD1 4.36Å; M551-L555 WeakPolarHBondContact O-CB 3.44Å; M551-L555 PolarHBondContact O-N 3.02Å; L555-I557 HydrophobicContact CB-CB 4.37Å; L555-I557 HydrophobicContact CB-CD1 3.52Å; L555-I557 HydrophobicContact CB-CG1 3.69Å; L555-I557 HydrophobicContact CD1-CD1 3.98Å; L555-I557 HydrophobicContact CD2-CD1 4.36Å; L555-I557 HydrophobicContact CG-CD1 4.17Å; L555-I557 PolarHBondContact O-N 2.91Å
556	G	63	Low	75.7	Confident	56 Å²	56	63.1 Å²	63.1	58%	0.577	35%	0.345	S	S	*	.			trans	57.7	15.5	-176.8	0	0	0	0	0	113.6	T558	G556-T558 PolarHBondContact O-N 2.85Å
557	I	60.7	Low	76	Confident	38 Å²	38	62.1 Å²	62.1	20%	0.195	34%	0.34	C	S	.	.			trans	-77.2	117.4	-176.3	-64.9	168	0	0	0	107.1	L555 D560 L563	L555-I557 HydrophobicContact CB-CB 4.37Å; L555-I557 HydrophobicContact CB-CD1 3.52Å; L555-I557 HydrophobicContact CB-CG1 3.69Å; L555-I557 HydrophobicContact CD1-CD1 3.98Å; L555-I557 HydrophobicContact CD2-CD1 4.36Å; L555-I557 HydrophobicContact CG-CD1 4.17Å; L555-I557 PolarHBondContact O-N 2.91Å; I557-D560 HydrophobicContact CG2-CB 3.41Å; I557-D560 VanDerWaalsContact CG2-CB 3.41Å; I557-L563 HydrophobicContact CG2-CD1 3.97Å; I557-L563 WeakPolarHBondContact O-CD1 3.29Å
558	T	56.9	Low	76.2	Confident	135 Å²	135	64.2 Å²	64.2	83%	0.828	35%	0.35	S	S	*	.	S	Bend	trans	-102.3	-17.7	177.8	50.6	0	0	0	0	113.1	G556	G556-T558 PolarHBondContact O-N 2.85Å
559	S	55.3	Low	76.3	Confident	106 Å²	106	65.6 Å²	65.6	74%	0.741	36%	0.356	S	S	*	.	S	Bend	trans	-151.8	104.9	177.4	67.5	0	0	0	0	111.2
560	D	63.4	Low	76.5	Confident	49 Å²	49	61.6 Å²	61.6	26%	0.262	34%	0.338	S	S	.	.			trans	-151.1	149.1	174.6	-169.9	-7	0	0	0	108.2	I557 R562 L563	I557-D560 HydrophobicContact CG2-CB 3.41Å; I557-D560 VanDerWaalsContact CG2-CB 3.41Å; D560-R562 PolarHBondContact O-N 3Å; D560-R562 IonicContact OD2-CZ 3.72Å; D560-R562 IonicContact OD2-NE 3.14Å; D560-R562 PolarHBondContact OD2-NE 2.74Å; D560-R562 IonicContact OD2-NH2 3.6Å; D560-R562 PolarHBondContact OD2-NH2 3.01Å; D560-L563 WeakPolarHBondContact O-CB 3.4Å; D560-L563 PolarHBondContact O-N 3.24Å
561	V	69.8	Low	76.7	Confident	115 Å²	115	61.2 Å²	61.2	70%	0.697	34%	0.336	S	S	*	.	H	α-helix	trans	-51.7	-28.6	176.3	179.8	0	0	0	0	111.1	D564 Q565	V561-D564 PolarHBondContact O-N 2.97Å; V561-Q565 PolarHBondContact O-N 2.9Å
562	R	73.5	Confident	77	Confident	122 Å²	122	62.6 Å²	62.6	46%	0.46	34%	0.344	S	S	.	.	H	α-helix	trans	-65.7	-32	175.7	-67.2	-176.9	-74.7	177.6	-2.9	113.9	M551 D560 V566	M551-R562 HydrophobicContact CE-CB 4.26Å; D560-R562 PolarHBondContact O-N 3Å; D560-R562 IonicContact OD2-CZ 3.72Å; D560-R562 IonicContact OD2-NE 3.14Å; D560-R562 PolarHBondContact OD2-NE 2.74Å; D560-R562 IonicContact OD2-NH2 3.6Å; D560-R562 PolarHBondContact OD2-NH2 3.01Å; R562-V566 WeakPolarHBondContact O-CG2 3.35Å
563	L	81.1	Confident	77.2	Confident	9 Å²	9	61 Å²	61	5%	0.047	34%	0.338	C	S	.	.	H	α-helix	trans	-76.6	-37.7	177	-78.4	168.4	0	0	0	111.7	L548 M551 I557 D560 Q565 V566 Y567	L548-L563 HydrophobicContact CD1-CD2 3.87Å; M551-L563 HydrophobicContact CB-CD2 4.27Å; M551-L563 HydrophobicContact SD-CD2 4.01Å; I557-L563 HydrophobicContact CG2-CD1 3.97Å; I557-L563 WeakPolarHBondContact O-CD1 3.29Å; D560-L563 WeakPolarHBondContact O-CB 3.4Å; D560-L563 PolarHBondContact O-N 3.24Å; L563-Q565 VanDerWaalsContact C-N 3.25Å; L563-Q565 PolarHBondContact O-N 2.93Å; L563-V566 WeakPolarHBondContact O-CB 3.48Å; L563-V566 PolarHBondContact O-N 3.4Å; L563-Y567 HydrophobicContact CB-CD2 4.47Å; L563-Y567 HydrophobicContact CB-CE2 4.3Å; L563-Y567 WeakPolarHBondContact O-CD2 3.32Å; L563-Y567 PolarHBondContact O-N 2.88Å
564	D	84.1	Confident	77.3	Confident	51 Å²	51	56.3 Å²	56.3	27%	0.273	31%	0.313	S	S	.	.	H	α-helix	trans	-57.6	-43.1	177.9	-61.2	-19.1	0	0	0	110.3	V561 V566 Y567 I568	V561-D564 PolarHBondContact O-N 2.97Å; D564-V566 VanDerWaalsContact C-N 3.35Å; D564-V566 PolarHBondContact O-N 3.21Å; D564-Y567 PolarHBondContact O-N 2.72Å; D564-I568 WeakPolarHBondContact O-CG1 3.45Å; D564-I568 PolarHBondContact O-N 3.45Å
565	Q	85.3	Confident	78	Confident	83 Å²	83	53.4 Å²	53.4	39%	0.388	30%	0.3	S	S	.	.	H	α-helix	trans	-59.8	-41.8	174.8	-172.3	173.8	17.1	0	0	112.6	V561 L563 Y567 I568 E569	V561-Q565 PolarHBondContact O-N 2.9Å; L563-Q565 VanDerWaalsContact C-N 3.25Å; L563-Q565 PolarHBondContact O-N 2.93Å; Q565-Y567 VanDerWaalsContact C-N 3.31Å; Q565-Y567 PolarHBondContact O-N 3.01Å; Q565-I568 PolarHBondContact O-N 2.88Å; Q565-E569 VanDerWaalsContact O-CG 3.29Å; Q565-E569 WeakPolarHBondContact O-CG 3.28Å; Q565-E569 PolarHBondContact O-N 3.07Å; Q565-E569 VanDerWaalsContact O-N 3.16Å
566	V	86.7	Confident	78.9	Confident	2 Å²	2	56.7 Å²	56.7	1%	0.012	31%	0.313	C	S	.	.	H	α-helix	trans	-65.2	-38.3	178.3	177.4	0	0	0	0	110.9	W544 V547 L548 M551 R562 L563 D564 L570	W544-V566 HydrophobicContact CB-CG1 4.5Å; V547-V566 HydrophobicContact CG1-CG1 4.48Å; V547-V566 HydrophobicContact CG1-CG2 3.7Å; L548-V566 HydrophobicContact CB-CG1 4.02Å; L548-V566 HydrophobicContact CD1-CG1 4.19Å; M551-V566 HydrophobicContact CE-CG2 4.47Å; M551-V566 HydrophobicContact SD-CG2 4.13Å; R562-V566 WeakPolarHBondContact O-CG2 3.35Å; L563-V566 WeakPolarHBondContact O-CB 3.48Å; L563-V566 PolarHBondContact O-N 3.4Å; D564-V566 VanDerWaalsContact C-N 3.35Å; D564-V566 PolarHBondContact O-N 3.21Å; V566-L570 HydrophobicContact CG1-CD1 4.1Å; V566-L570 WeakPolarHBondContact O-CB 3.44Å; V566-L570 WeakPolarHBondContact O-CG 3.45Å; V566-L570 PolarHBondContact O-N 2.95Å
567	Y	89.8	Confident	79.8	Confident	28 Å²	28	57.5 Å²	57.5	11%	0.11	30%	0.304	C	S	.	.	H	α-helix	trans	-68.6	-37.3	176.5	-73.4	-54.6	0	0	0	113	L548 L563 D564 Q565 L570 G571 F586 Q589	L548-Y567 HydrophobicContact CD1-CE1 4.07Å; L548-Y567 HydrophobicContact CD2-CE1 4.24Å; L563-Y567 HydrophobicContact CB-CD2 4.47Å; L563-Y567 HydrophobicContact CB-CE2 4.3Å; L563-Y567 WeakPolarHBondContact O-CD2 3.32Å; L563-Y567 PolarHBondContact O-N 2.88Å; D564-Y567 PolarHBondContact O-N 2.72Å; Q565-Y567 VanDerWaalsContact C-N 3.31Å; Q565-Y567 PolarHBondContact O-N 3.01Å; Y567-L570 PolarHBondContact O-N 2.71Å; Y567-G571 PolarHBondContact O-N 3.24Å; Y567-F586 AromaticContact CD1-CD1 3.89Å; Y567-F586 HydrophobicContact CD1-CD1 3.89Å; Y567-F586 HydrophobicContact CE1-CD1 4.38Å; Y567-Q589 HydrophobicContact CD1-CB 4.22Å; Y567-Q589 HydrophobicContact CD2-CB 4.11Å; Y567-Q589 HydrophobicContact CE1-CB 4.35Å; Y567-Q589 HydrophobicContact CE2-CB 4.26Å; Y567-Q589 HydrophobicContact CG-CB 4.08Å; Y567-Q589 PolarHBondContact OH-OE1 3.31Å; Y567-Q589 VanDerWaalsContact OH-OE1 3.04Å
568	I	89.7	Confident	80.7	Confident	43 Å²	43	65.3 Å²	65.3	22%	0.221	33%	0.331	C	S	.	.	H	α-helix	trans	-60.4	-49.2	174	-67.2	170.2	0	0	0	110.3	D564 Q565 L570 G571 D572 A590 C592 K595	D564-I568 WeakPolarHBondContact O-CG1 3.45Å; D564-I568 PolarHBondContact O-N 3.45Å; Q565-I568 PolarHBondContact O-N 2.88Å; I568-L570 VanDerWaalsContact C-N 3.34Å; I568-L570 PolarHBondContact O-N 3.14Å; I568-G571 CarbonylContact O-C 3.56Å; I568-G571 WeakPolarHBondContact O-CA 3.44Å; I568-G571 PolarHBondContact O-N 3Å; I568-G571 VanDerWaalsContact O-N 3.11Å; I568-D572 PolarHBondContact O-N 3.36Å; I568-A590 HydrophobicContact CD1-CB 4.41Å; I568-A590 HydrophobicContact CG1-CB 3.59Å; I568-C592 HydrophobicContact CD1-CB 4.31Å; I568-C592 HydrophobicContact CG1-CB 4.17Å; I568-K595 HydrophobicContact CG2-CD 4.25Å; I568-K595 VanDerWaalsContact CG2-NZ 3.32Å
569	E	88.8	Confident	82.1	Confident	54 Å²	54	61.8 Å²	61.8	25%	0.252	31%	0.305	S	S	.	.	H	α-helix	trans	-66.3	-35.3	-177.8	-64.1	-79.8	168.3	0	0	112.5	W544 Q565 H573	W544-E569 HydrophobicContact CD2-CB 3.66Å; W544-E569 HydrophobicContact CD2-CG 4.1Å; W544-E569 HydrophobicContact CE3-CB 4.23Å; W544-E569 HydrophobicContact CE3-CG 4.34Å; W544-E569 HydrophobicContact CG-CB 3.86Å; W544-E569 HydrophobicContact CH2-CB 4.49Å; W544-E569 HydrophobicContact CH2-CG 3.85Å; W544-E569 HydrophobicContact CZ2-CB 3.97Å; W544-E569 HydrophobicContact CZ2-CG 3.58Å; W544-E569 WeakPolarHBondContact CZ2-OE2 3.32Å; W544-E569 HydrophobicContact CZ3-CG 4.22Å; Q565-E569 VanDerWaalsContact O-CG 3.29Å; Q565-E569 WeakPolarHBondContact O-CG 3.28Å; Q565-E569 PolarHBondContact O-N 3.07Å; Q565-E569 VanDerWaalsContact O-N 3.16Å; E569-H573 PolarHBondContact O-N 3.28Å; E569-H573 VanDerWaalsContact O-N 3.11Å
570	L	88.6	Confident	83.6	Confident	10 Å²	10	59.4 Å²	59.4	5%	0.052	28%	0.28	C	S	.	.	H	α-helix	trans	-66.5	-40	171.1	-75.2	170.8	0	0	0	111.9	W544 K545 L548 V566 Y567 I568 C574 F586	W544-L570 HydrophobicContact CB-CD2 3.69Å; W544-L570 HydrophobicContact CB-CG 3.85Å; K545-L570 HydrophobicContact CG-CD2 3.83Å; L548-L570 HydrophobicContact CD2-CD1 4.11Å; V566-L570 HydrophobicContact CG1-CD1 4.1Å; V566-L570 WeakPolarHBondContact O-CB 3.44Å; V566-L570 WeakPolarHBondContact O-CG 3.45Å; V566-L570 PolarHBondContact O-N 2.95Å; Y567-L570 PolarHBondContact O-N 2.71Å; I568-L570 VanDerWaalsContact C-N 3.34Å; I568-L570 PolarHBondContact O-N 3.14Å; L570-C574 PolarHBondContact O-N 2.96Å; L570-C574 VanDerWaalsContact O-N 3.1Å; L570-C574 PolarHBondContact O-SG 2.91Å; L570-F586 HydrophobicContact CB-CD1 4.26Å; L570-F586 HydrophobicContact CB-CD2 4.18Å; L570-F586 HydrophobicContact CB-CE1 4.43Å; L570-F586 HydrophobicContact CB-CE2 4.36Å; L570-F586 HydrophobicContact CB-CG 4.14Å; L570-F586 HydrophobicContact CB-CZ 4.48Å; L570-F586 HydrophobicContact CD1-CE1 4.26Å
571	G	89.4	Confident	84.8	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-63	-43	174.5	0	0	0	0	0	112.3	Y567 I568 H573 C574 A575 Y587	Y567-G571 PolarHBondContact O-N 3.24Å; I568-G571 CarbonylContact O-C 3.56Å; I568-G571 WeakPolarHBondContact O-CA 3.44Å; I568-G571 PolarHBondContact O-N 3Å; I568-G571 VanDerWaalsContact O-N 3.11Å; G571-H573 PolarHBondContact O-N 3.29Å; G571-C574 PolarHBondContact O-N 3.22Å; G571-A575 WeakPolarHBondContact O-CB 3.45Å; G571-A575 PolarHBondContact O-N 3.17Å; G571-Y587 PolarHBondContact O-OH 2.7Å; G571-Y587 VanDerWaalsContact O-OH 3.08Å
572	D	89.6	Confident	85.6	Confident	40 Å²	40	62.6 Å²	62.6	21%	0.214	29%	0.285	C	S	.	.	H	α-helix	trans	-60.5	-46.7	177.7	-73.4	-24.4	0	0	0	111.1	I568 C574 A575 E576 Y587 K595	I568-D572 PolarHBondContact O-N 3.36Å; D572-C574 VanDerWaalsContact C-N 3.33Å; D572-C574 PolarHBondContact O-N 3.2Å; D572-A575 PolarHBondContact O-N 3.36Å; D572-A575 VanDerWaalsContact O-N 3.14Å; D572-E576 WeakPolarHBondContact O-CG 3.47Å; D572-E576 PolarHBondContact O-N 3.26Å; D572-Y587 VanDerWaalsContact CA-OH 3.26Å; D572-Y587 WeakPolarHBondContact CA-OH 3.18Å; D572-Y587 PolarHBondContact N-OH 3.25Å; D572-Y587 VanDerWaalsContact N-OH 3.15Å; D572-Y587 PolarHBondContact OD1-OH 2.84Å; D572-K595 VanDerWaalsContact OD1-CD 3.28Å; D572-K595 WeakPolarHBondContact OD1-CD 3.36Å; D572-K595 WeakPolarHBondContact OD1-CE 3.47Å; D572-K595 IonicContact OD1-NZ 2.76Å; D572-K595 PolarHBondContact OD1-NZ 2.95Å; D572-K595 IonicContact OD2-NZ 3.15Å; D572-K595 PolarHBondContact OD2-NZ 2.97Å
573	H	85.9	Confident	86.4	Confident	74 Å²	74	56.8 Å²	56.8	34%	0.343	26%	0.263	S	S	.	.	H	α-helix	trans	-59.8	-42.1	175.6	-174.9	57.8	0	0	0	112.3	E569 G571 L577	E569-H573 PolarHBondContact O-N 3.28Å; E569-H573 VanDerWaalsContact O-N 3.11Å; G571-H573 PolarHBondContact O-N 3.29Å; H573-L577 WeakPolarHBondContact O-CG 3.14Å; H573-L577 PolarHBondContact O-N 2.86Å
574	C	85	Confident	86.8	Confident	9 Å²	9	56.6 Å²	56.6	6%	0.061	26%	0.263	C	S	.	.	H	α-helix	trans	-66.8	-36.1	174.8	-74	0	0	0	0	112.8	L570 G571 D572 L577 R578 Q579 Q582 A583	L570-C574 PolarHBondContact O-N 2.96Å; L570-C574 VanDerWaalsContact O-N 3.1Å; L570-C574 PolarHBondContact O-SG 2.91Å; G571-C574 PolarHBondContact O-N 3.22Å; D572-C574 VanDerWaalsContact C-N 3.33Å; D572-C574 PolarHBondContact O-N 3.2Å; C574-L577 CarbonylContact O-C 3.58Å; C574-L577 PolarHBondContact O-N 3.22Å; C574-R578 PolarHBondContact O-N 3.38Å; C574-Q579 HydrophobicContact CB-CB 4.44Å; C574-Q579 PolarHBondContact O-N 2.86Å; C574-Q582 HydrophobicContact CB-CB 4.36Å; C574-A583 HydrophobicContact CB-CB 3.9Å
575	A	86	Confident	87.1	Confident	17 Å²	17	58.8 Å²	58.8	14%	0.14	28%	0.275	C	S	.	.	H	α-helix	trans	-68.4	-39.4	177.6	0	0	0	0	0	111.8	G571 D572 L577 R578 W580 A583 Y587	G571-A575 WeakPolarHBondContact O-CB 3.45Å; G571-A575 PolarHBondContact O-N 3.17Å; D572-A575 PolarHBondContact O-N 3.36Å; D572-A575 VanDerWaalsContact O-N 3.14Å; A575-L577 VanDerWaalsContact C-N 3.25Å; A575-L577 PolarHBondContact O-N 2.93Å; A575-R578 WeakPolarHBondContact O-CA 3.4Å; A575-R578 PolarHBondContact O-N 2.96Å; A575-W580 HydrophobicContact CB-CE3 4.37Å; A575-W580 HydrophobicContact CB-CH2 4.37Å; A575-W580 HydrophobicContact CB-CZ3 3.87Å; A575-A583 HydrophobicContact CB-CB 4.12Å; A575-Y587 WeakPolarHBondContact CB-OH 3.28Å
576	E	84.7	Confident	87.4	Confident	149 Å²	149	57.1 Å²	57.1	70%	0.696	27%	0.266	S	S	*	.	H	α-helix	trans	-58.5	-38.1	171.9	-73.6	176.5	174.2	0	0	111.7	D572 R578	D572-E576 WeakPolarHBondContact O-CG 3.47Å; D572-E576 PolarHBondContact O-N 3.26Å; E576-R578 PolarHBondContact O-N 3.31Å
577	L	81.8	Confident	87.6	Confident	73 Å²	73	57.3 Å²	57.3	38%	0.382	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	3.1	174.7	-62.9	173.8	0	0	0	114	H573 C574 A575 Q579	H573-L577 WeakPolarHBondContact O-CG 3.14Å; H573-L577 PolarHBondContact O-N 2.86Å; C574-L577 CarbonylContact O-C 3.58Å; C574-L577 PolarHBondContact O-N 3.22Å; A575-L577 VanDerWaalsContact C-N 3.25Å; A575-L577 PolarHBondContact O-N 2.93Å; L577-Q579 HydrophobicContact CB-CG 4.23Å; L577-Q579 PolarHBondContact O-N 3.3Å
578	R	80.3	Confident	87.6	Confident	203 Å²	203	62.5 Å²	62.5	77%	0.766	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	22.5	-176.6	-53.6	-177.5	178.6	-164.7	-0.8	114.7	C574 A575 E576 W580	C574-R578 PolarHBondContact O-N 3.38Å; A575-R578 WeakPolarHBondContact O-CA 3.4Å; A575-R578 PolarHBondContact O-N 2.96Å; E576-R578 PolarHBondContact O-N 3.31Å; R578-W580 VanDerWaalsContact C-N 3.27Å; R578-W580 VanDerWaalsContact O-CD1 3.24Å; R578-W580 PolarHBondContact O-N 3.08Å; R578-W580 VanDerWaalsContact O-N 3.11Å
579	Q	85.2	Confident	87.4	Confident	60 Å²	60	65 Å²	65	28%	0.28	30%	0.301	S	S	.	.			trans	-87.2	66.2	175	-63.8	177.9	-3.9	0	0	109.9	C574 L577 E581 Q582 A583	C574-Q579 HydrophobicContact CB-CB 4.44Å; C574-Q579 PolarHBondContact O-N 2.86Å; L577-Q579 HydrophobicContact CB-CG 4.23Å; L577-Q579 PolarHBondContact O-N 3.3Å; Q579-E581 VanDerWaalsContact C-N 3.31Å; Q579-E581 PolarHBondContact O-N 2.83Å; Q579-Q582 HydrophobicContact CB-CB 4.4Å; Q579-Q582 PolarHBondContact O-N 3.42Å; Q579-Q582 VanDerWaalsContact O-N 3.12Å; Q579-A583 PolarHBondContact O-N 3.23Å
580	W	87.2	Confident	87.3	Confident	57 Å²	57	62.8 Å²	62.8	22%	0.216	29%	0.291	C	S	.	.	H	α-helix	trans	-61.4	-32.8	-169.1	-59.8	106.9	0	0	0	114.3	A575 R578 A583 A584 M602 L603	A575-W580 HydrophobicContact CB-CE3 4.37Å; A575-W580 HydrophobicContact CB-CH2 4.37Å; A575-W580 HydrophobicContact CB-CZ3 3.87Å; R578-W580 VanDerWaalsContact C-N 3.27Å; R578-W580 VanDerWaalsContact O-CD1 3.24Å; R578-W580 PolarHBondContact O-N 3.08Å; R578-W580 VanDerWaalsContact O-N 3.11Å; W580-A583 PolarHBondContact O-N 3.32Å; W580-A584 VanDerWaalsContact O-CB 3.27Å; W580-A584 WeakPolarHBondContact O-CB 3.26Å; W580-A584 PolarHBondContact O-N 3.46Å; W580-M602 HydrophobicContact CD2-CB 3.49Å; W580-M602 VanDerWaalsContact CD2-CB 3.49Å; W580-M602 HydrophobicContact CD2-CG 3.92Å; W580-M602 HydrophobicContact CE3-CB 3.88Å; W580-M602 HydrophobicContact CE3-CG 3.99Å; W580-M602 HydrophobicContact CG-CB 3.79Å; W580-M602 HydrophobicContact CH2-CB 4.45Å; W580-M602 HydrophobicContact CH2-CE 4.39Å; W580-M602 HydrophobicContact CH2-CG 3.78Å; W580-M602 HydrophobicContact CZ2-CB 4.12Å; W580-M602 HydrophobicContact CZ2-CE 3.61Å; W580-M602 HydrophobicContact CZ2-CG 3.71Å; W580-M602 HydrophobicContact CZ2-SD 4.42Å; W580-M602 HydrophobicContact CZ3-CB 4.34Å; W580-M602 HydrophobicContact CZ3-CG 3.91Å; W580-L603 HydrophobicContact CB-CD1 4.19Å; W580-L603 HydrophobicContact CB-CD2 3.66Å; W580-L603 HydrophobicContact CB-CG 3.67Å
581	E	87.9	Confident	87.1	Confident	133 Å²	133	70.8 Å²	70.8	62%	0.621	33%	0.326	S	S	*	.	H	α-helix	trans	-63.8	-43.6	175.3	-66.9	-176.3	179	0	0	111.9	Q579 N585 L603	Q579-E581 VanDerWaalsContact C-N 3.31Å; Q579-E581 PolarHBondContact O-N 2.83Å; E581-N585 PolarHBondContact O-N 3.02Å; E581-N585 VanDerWaalsContact O-N 3.14Å; E581-N585 PolarHBondContact O-ND2 3.42Å; E581-L603 HydrophobicContact CG-CD1 4.31Å; E581-L603 HydrophobicContact CG-CD2 3.74Å
582	Q	87.2	Confident	86.9	Confident	98 Å²	98	71.9 Å²	71.9	46%	0.458	33%	0.334	S	S	.	.	H	α-helix	trans	-71	-40.8	178	-63.4	-173.5	33.9	0	0	111.1	C574 Q579 A584 N585 F586	C574-Q582 HydrophobicContact CB-CB 4.36Å; Q579-Q582 HydrophobicContact CB-CB 4.4Å; Q579-Q582 PolarHBondContact O-N 3.42Å; Q579-Q582 VanDerWaalsContact O-N 3.12Å; Q582-A584 PolarHBondContact O-N 3.29Å; Q582-N585 WeakPolarHBondContact O-CB 3.47Å; Q582-N585 PolarHBondContact O-N 3.01Å; Q582-F586 VanDerWaalsContact O-CD2 3.24Å; Q582-F586 WeakPolarHBondContact O-CD2 3.41Å; Q582-F586 PolarHBondContact O-N 3.34Å
583	A	90	Very high	86.7	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-58.3	-48.1	174.6	0	0	0	0	0	111	C574 A575 Q579 W580 N585 F586 Y587	C574-A583 HydrophobicContact CB-CB 3.9Å; A575-A583 HydrophobicContact CB-CB 4.12Å; Q579-A583 PolarHBondContact O-N 3.23Å; W580-A583 PolarHBondContact O-N 3.32Å; A583-N585 VanDerWaalsContact C-N 3.3Å; A583-N585 PolarHBondContact O-N 3.5Å; A583-F586 PolarHBondContact O-N 3.45Å; A583-F586 VanDerWaalsContact O-N 3.13Å; A583-Y587 HydrophobicContact CB-CD2 4.29Å; A583-Y587 HydrophobicContact CB-CE2 3.77Å; A583-Y587 WeakPolarHBondContact O-CD2 3.48Å; A583-Y587 VanDerWaalsContact O-CG 3.28Å; A583-Y587 PolarHBondContact O-N 2.87Å
584	A	89.7	Confident	86.8	Confident	5 Å²	5	73.3 Å²	73.3	4%	0.041	34%	0.342	C	S	.	.	H	α-helix	trans	-58	-40.6	176.3	0	0	0	0	0	112.2	W580 Q582 Y587 K588 L596 Y600 L603	W580-A584 VanDerWaalsContact O-CB 3.27Å; W580-A584 WeakPolarHBondContact O-CB 3.26Å; W580-A584 PolarHBondContact O-N 3.46Å; Q582-A584 PolarHBondContact O-N 3.29Å; A584-Y587 PolarHBondContact O-N 2.91Å; A584-K588 WeakPolarHBondContact O-CB 3.45Å; A584-K588 PolarHBondContact O-N 3.25Å; A584-L596 HydrophobicContact CB-CD1 3.99Å; A584-L596 WeakPolarHBondContact O-CD1 3.41Å; A584-Y600 HydrophobicContact CB-CE1 4.2Å; A584-L603 HydrophobicContact CB-CD1 4.39Å
585	N	90.9	Very high	86.9	Confident	96 Å²	96	75.6 Å²	75.6	51%	0.513	35%	0.351	S	S	.	.	H	α-helix	trans	-63.5	-41.4	176.3	-75.1	-34	0	0	0	112.8	E581 Q582 A583 Q589	E581-N585 PolarHBondContact O-N 3.02Å; E581-N585 VanDerWaalsContact O-N 3.14Å; E581-N585 PolarHBondContact O-ND2 3.42Å; Q582-N585 WeakPolarHBondContact O-CB 3.47Å; Q582-N585 PolarHBondContact O-N 3.01Å; A583-N585 VanDerWaalsContact C-N 3.3Å; A583-N585 PolarHBondContact O-N 3.5Å; N585-Q589 WeakPolarHBondContact O-CG 3.32Å; N585-Q589 PolarHBondContact O-N 3.21Å
586	F	90.4	Very high	87.1	Confident	48 Å²	48	75.3 Å²	75.3	21%	0.211	35%	0.347	C	S	.	.	H	α-helix	trans	-70.4	-43.3	176.5	-71.7	-54.1	0	0	0	112.3	Y567 L570 Q582 A583 K588 Q589 A590	Y567-F586 AromaticContact CD1-CD1 3.89Å; Y567-F586 HydrophobicContact CD1-CD1 3.89Å; Y567-F586 HydrophobicContact CE1-CD1 4.38Å; L570-F586 HydrophobicContact CB-CD1 4.26Å; L570-F586 HydrophobicContact CB-CD2 4.18Å; L570-F586 HydrophobicContact CB-CE1 4.43Å; L570-F586 HydrophobicContact CB-CE2 4.36Å; L570-F586 HydrophobicContact CB-CG 4.14Å; L570-F586 HydrophobicContact CB-CZ 4.48Å; L570-F586 HydrophobicContact CD1-CE1 4.26Å; Q582-F586 VanDerWaalsContact O-CD2 3.24Å; Q582-F586 WeakPolarHBondContact O-CD2 3.41Å; Q582-F586 PolarHBondContact O-N 3.34Å; A583-F586 PolarHBondContact O-N 3.45Å; A583-F586 VanDerWaalsContact O-N 3.13Å; F586-K588 VanDerWaalsContact C-N 3.3Å; F586-K588 PolarHBondContact O-N 3.06Å; F586-Q589 WeakPolarHBondContact O-CB 3.14Å; F586-Q589 PolarHBondContact O-N 2.54Å; F586-Q589 VanDerWaalsContact O-N 3.12Å; F586-A590 PolarHBondContact O-N 3.27Å
587	Y	91.7	Very high	87.1	Confident	7 Å²	7	68.2 Å²	68.2	3%	0.027	31%	0.314	C	S	.	.	H	α-helix	trans	-63.8	-35.7	176.2	-60.8	-42	0	0	0	112.6	G571 D572 A575 A583 A584 Q589 A590 K591 C592 K595 S599	G571-Y587 PolarHBondContact O-OH 2.7Å; G571-Y587 VanDerWaalsContact O-OH 3.08Å; D572-Y587 VanDerWaalsContact CA-OH 3.26Å; D572-Y587 WeakPolarHBondContact CA-OH 3.18Å; D572-Y587 PolarHBondContact N-OH 3.25Å; D572-Y587 VanDerWaalsContact N-OH 3.15Å; D572-Y587 PolarHBondContact OD1-OH 2.84Å; A575-Y587 WeakPolarHBondContact CB-OH 3.28Å; A583-Y587 HydrophobicContact CB-CD2 4.29Å; A583-Y587 HydrophobicContact CB-CE2 3.77Å; A583-Y587 WeakPolarHBondContact O-CD2 3.48Å; A583-Y587 VanDerWaalsContact O-CG 3.28Å; A583-Y587 PolarHBondContact O-N 2.87Å; A584-Y587 PolarHBondContact O-N 2.91Å; Y587-Q589 VanDerWaalsContact C-N 3.34Å; Y587-A590 CarbonylContact O-C 3.51Å; Y587-A590 PolarHBondContact O-N 3.03Å; Y587-K591 PolarHBondContact O-N 3.02Å; Y587-C592 PolarHBondContact O-N 2.92Å; Y587-C592 VanDerWaalsContact O-N 3.11Å; Y587-K595 HydrophobicContact CD1-CB 3.81Å; Y587-K595 HydrophobicContact CD1-CD 4.07Å; Y587-K595 HydrophobicContact CD2-CB 3.77Å; Y587-K595 HydrophobicContact CE1-CB 3.76Å; Y587-K595 HydrophobicContact CE1-CD 3.47Å; Y587-K595 VanDerWaalsContact CE1-CD 3.47Å; Y587-K595 HydrophobicContact CE1-CG 4.25Å; Y587-K595 HydrophobicContact CE2-CB 3.72Å; Y587-K595 HydrophobicContact CG-CB 3.82Å; Y587-S599 VanDerWaalsContact CD2-OG 3.29Å; Y587-S599 WeakPolarHBondContact CD2-OG 3.41Å; Y587-S599 VanDerWaalsContact CE2-OG 3.25Å; Y587-S599 WeakPolarHBondContact CE2-OG 3.29Å
588	K	89.2	Confident	87.4	Confident	137 Å²	137	67.1 Å²	67.1	60%	0.596	31%	0.31	S	S	*	.	H	α-helix	trans	-62.9	-39.8	172.7	-172.3	174.5	-175.8	172.4	0	111.9	A584 F586 K591 L596	A584-K588 WeakPolarHBondContact O-CB 3.45Å; A584-K588 PolarHBondContact O-N 3.25Å; F586-K588 VanDerWaalsContact C-N 3.3Å; F586-K588 PolarHBondContact O-N 3.06Å; K588-K591 PolarHBondContact O-N 3.01Å; K588-L596 HydrophobicContact CB-CD1 4.39Å
589	Q	86.7	Confident	87.7	Confident	95 Å²	95	57.5 Å²	57.5	44%	0.444	27%	0.274	S	S	.	.	H	α-helix	trans	-67.2	-37.9	174.3	-72.1	177.4	38.5	0	0	112	Y567 N585 F586 Y587 K591	Y567-Q589 HydrophobicContact CD1-CB 4.22Å; Y567-Q589 HydrophobicContact CD2-CB 4.11Å; Y567-Q589 HydrophobicContact CE1-CB 4.35Å; Y567-Q589 HydrophobicContact CE2-CB 4.26Å; Y567-Q589 HydrophobicContact CG-CB 4.08Å; Y567-Q589 PolarHBondContact OH-OE1 3.31Å; Y567-Q589 VanDerWaalsContact OH-OE1 3.04Å; N585-Q589 WeakPolarHBondContact O-CG 3.32Å; N585-Q589 PolarHBondContact O-N 3.21Å; F586-Q589 WeakPolarHBondContact O-CB 3.14Å; F586-Q589 PolarHBondContact O-N 2.54Å; F586-Q589 VanDerWaalsContact O-N 3.12Å; Y587-Q589 VanDerWaalsContact C-N 3.34Å; Q589-K591 VanDerWaalsContact C-N 3.26Å; Q589-K591 PolarHBondContact O-N 2.7Å
590	A	85.6	Confident	87.8	Confident	7 Å²	7	55.7 Å²	55.7	6%	0.058	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-8.8	176.3	0	0	0	0	0	115	I568 F586 Y587 C592	I568-A590 HydrophobicContact CD1-CB 4.41Å; I568-A590 HydrophobicContact CG1-CB 3.59Å; F586-A590 PolarHBondContact O-N 3.27Å; Y587-A590 CarbonylContact O-C 3.51Å; Y587-A590 PolarHBondContact O-N 3.03Å; A590-C592 HydrophobicContact CB-CB 4.3Å; A590-C592 PolarHBondContact O-N 2.88Å
591	K	84.9	Confident	87.7	Confident	178 Å²	178	56.6 Å²	56.6	77%	0.774	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	32.3	-170.7	-54.5	174.3	-176.9	170.7	0	113.2	Y587 K588 Q589 S593	Y587-K591 PolarHBondContact O-N 3.02Å; K588-K591 PolarHBondContact O-N 3.01Å; Q589-K591 VanDerWaalsContact C-N 3.26Å; Q589-K591 PolarHBondContact O-N 2.7Å; K591-S593 PolarHBondContact O-N 3.48Å
592	C	85.8	Confident	87.5	Confident	24 Å²	24	55 Å²	55	16%	0.162	27%	0.265	C	S	.	.			trans	-91.5	99.2	178	-174.8	0	0	0	0	109.7	I568 Y587 A590 L596	I568-C592 HydrophobicContact CD1-CB 4.31Å; I568-C592 HydrophobicContact CG1-CB 4.17Å; Y587-C592 PolarHBondContact O-N 2.92Å; Y587-C592 VanDerWaalsContact O-N 3.11Å; A590-C592 HydrophobicContact CB-CB 4.3Å; A590-C592 PolarHBondContact O-N 2.88Å; C592-L596 VanDerWaalsContact O-CB 3.27Å; C592-L596 WeakPolarHBondContact O-CB 3.16Å; C592-L596 PolarHBondContact O-N 2.88Å
593	S	85.1	Confident	87.3	Confident	28 Å²	28	52.6 Å²	52.6	20%	0.196	26%	0.255	C	S	.	.	H	α-helix	trans	-68.6	-41.6	-175.5	43.9	0	0	0	0	113.9	K591 L596 I597 Q621	K591-S593 PolarHBondContact O-N 3.48Å; S593-L596 WeakPolarHBondContact O-CB 3.36Å; S593-L596 PolarHBondContact O-N 3.48Å; S593-I597 VanDerWaalsContact O-CG1 3.3Å; S593-I597 WeakPolarHBondContact O-CG1 3.31Å; S593-I597 PolarHBondContact O-N 2.8Å; S593-Q621 VanDerWaalsContact CB-OE1 3.31Å; S593-Q621 VanDerWaalsContact OG-CD 3.3Å; S593-Q621 PolarHBondContact OG-NE2 2.84Å; S593-Q621 PolarHBondContact OG-OE1 3.21Å
594	E	86.6	Confident	86.6	Confident	115 Å²	115	57.2 Å²	57.2	54%	0.537	28%	0.277	S	S	.	.	H	α-helix	trans	-54.7	-57.2	-178.6	-173.2	-174.9	164	0	0	111.9	L596 I597 T598	E594-L596 VanDerWaalsContact C-N 3.25Å; E594-L596 PolarHBondContact O-N 2.82Å; E594-I597 WeakPolarHBondContact O-CB 3.22Å; E594-I597 PolarHBondContact O-N 3.02Å; E594-T598 PolarHBondContact O-N 2.9Å; E594-T598 PolarHBondContact O-OG1 3Å
595	K	88	Confident	86.2	Confident	58 Å²	58	61.1 Å²	61.1	25%	0.252	29%	0.294	S	S	.	.	H	α-helix	trans	-68.5	-26	-179.7	-60.4	-173.2	179.4	-176.3	0	113.2	I568 D572 Y587 S599	I568-K595 HydrophobicContact CG2-CD 4.25Å; I568-K595 VanDerWaalsContact CG2-NZ 3.32Å; D572-K595 VanDerWaalsContact OD1-CD 3.28Å; D572-K595 WeakPolarHBondContact OD1-CD 3.36Å; D572-K595 WeakPolarHBondContact OD1-CE 3.47Å; D572-K595 IonicContact OD1-NZ 2.76Å; D572-K595 PolarHBondContact OD1-NZ 2.95Å; D572-K595 IonicContact OD2-NZ 3.15Å; D572-K595 PolarHBondContact OD2-NZ 2.97Å; Y587-K595 HydrophobicContact CD1-CB 3.81Å; Y587-K595 HydrophobicContact CD1-CD 4.07Å; Y587-K595 HydrophobicContact CD2-CB 3.77Å; Y587-K595 HydrophobicContact CE1-CB 3.76Å; Y587-K595 HydrophobicContact CE1-CD 3.47Å; Y587-K595 VanDerWaalsContact CE1-CD 3.47Å; Y587-K595 HydrophobicContact CE1-CG 4.25Å; Y587-K595 HydrophobicContact CE2-CB 3.72Å; Y587-K595 HydrophobicContact CG-CB 3.82Å; K595-S599 WeakPolarHBondContact O-CB 3.37Å; K595-S599 PolarHBondContact O-N 2.65Å; K595-S599 PolarHBondContact O-OG 2.89Å
596	L	90.3	Very high	85.7	Confident	10 Å²	10	58.9 Å²	58.9	5%	0.052	28%	0.279	C	S	.	.	H	α-helix	trans	-70.6	-39.5	175.2	-172.1	65.8	0	0	0	111.2	A584 K588 C592 S593 E594 S599 Y600 L612	A584-L596 HydrophobicContact CB-CD1 3.99Å; A584-L596 WeakPolarHBondContact O-CD1 3.41Å; K588-L596 HydrophobicContact CB-CD1 4.39Å; C592-L596 VanDerWaalsContact O-CB 3.27Å; C592-L596 WeakPolarHBondContact O-CB 3.16Å; C592-L596 PolarHBondContact O-N 2.88Å; S593-L596 WeakPolarHBondContact O-CB 3.36Å; S593-L596 PolarHBondContact O-N 3.48Å; E594-L596 VanDerWaalsContact C-N 3.25Å; E594-L596 PolarHBondContact O-N 2.82Å; L596-S599 PolarHBondContact O-N 2.82Å; L596-Y600 HydrophobicContact CD1-CD2 4.39Å; L596-Y600 HydrophobicContact CD1-CE1 4.18Å; L596-Y600 HydrophobicContact CD1-CE2 3.76Å; L596-Y600 HydrophobicContact CD2-CE2 3.8Å; L596-Y600 HydrophobicContact CG-CD2 3.96Å; L596-Y600 HydrophobicContact CG-CE2 3.44Å; L596-Y600 VanDerWaalsContact CG-CE2 3.44Å; L596-Y600 WeakPolarHBondContact O-CD2 3.46Å; L596-Y600 PolarHBondContact O-N 3.39Å; L596-L612 HydrophobicContact CD2-CD1 4.04Å; L596-L612 HydrophobicContact CD2-CD2 4.13Å; L596-L612 HydrophobicContact CG-CD2 4.47Å
597	I	85.6	Confident	85.3	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-60	-48.8	173.2	-67	161	0	0	0	109.9	S593 E594 S599 Y600 Q601 M609 L612 L616 Q621 E624 I625	S593-I597 VanDerWaalsContact O-CG1 3.3Å; S593-I597 WeakPolarHBondContact O-CG1 3.31Å; S593-I597 PolarHBondContact O-N 2.8Å; E594-I597 WeakPolarHBondContact O-CB 3.22Å; E594-I597 PolarHBondContact O-N 3.02Å; I597-S599 VanDerWaalsContact C-N 3.3Å; I597-S599 PolarHBondContact O-N 2.87Å; I597-Y600 PolarHBondContact O-N 2.87Å; I597-Q601 WeakPolarHBondContact O-CB 3.36Å; I597-Q601 PolarHBondContact O-N 2.9Å; I597-M609 HydrophobicContact CG2-CE 4.22Å; I597-M609 HydrophobicContact CG2-SD 4.49Å; I597-M609 WeakPolarHBondContact O-CE 3.34Å; I597-L612 HydrophobicContact CD1-CD2 4.32Å; I597-L612 HydrophobicContact CG1-CD2 3.66Å; I597-L616 HydrophobicContact CD1-CD1 4.25Å; I597-Q621 HydrophobicContact CD1-CB 3.94Å; I597-Q621 HydrophobicContact CD1-CG 4.48Å; I597-E624 HydrophobicContact CG2-CG 4.4Å; I597-I625 HydrophobicContact CD1-CD1 3.76Å; I597-I625 HydrophobicContact CD1-CG1 3.85Å; I597-I625 HydrophobicContact CG1-CD1 3.92Å; I597-I625 HydrophobicContact CG1-CG1 3.94Å; I597-I625 HydrophobicContact CG2-CG1 3.86Å
598	T	86.3	Confident	84.9	Confident	50 Å²	50	64 Å²	64	31%	0.307	31%	0.307	S	S	.	.	H	α-helix	trans	-59.2	-41.9	176.4	-43	0	0	0	0	111.5	E594 Q601 M602	E594-T598 PolarHBondContact O-N 2.9Å; E594-T598 PolarHBondContact O-OG1 3Å; T598-Q601 WeakPolarHBondContact O-CB 3.3Å; T598-Q601 PolarHBondContact O-N 3.21Å; T598-M602 VanDerWaalsContact O-CG 3.28Å; T598-M602 WeakPolarHBondContact O-CG 3.46Å; T598-M602 PolarHBondContact O-N 3.06Å
599	S	87.1	Confident	84.6	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.007	28%	0.279	C	S	.	.	H	α-helix	trans	-64.8	-43.4	178.7	-58.7	0	0	0	0	112.4	Y587 K595 L596 I597 Q601 M602 L603	Y587-S599 VanDerWaalsContact CD2-OG 3.29Å; Y587-S599 WeakPolarHBondContact CD2-OG 3.41Å; Y587-S599 VanDerWaalsContact CE2-OG 3.25Å; Y587-S599 WeakPolarHBondContact CE2-OG 3.29Å; K595-S599 WeakPolarHBondContact O-CB 3.37Å; K595-S599 PolarHBondContact O-N 2.65Å; K595-S599 PolarHBondContact O-OG 2.89Å; L596-S599 PolarHBondContact O-N 2.82Å; I597-S599 VanDerWaalsContact C-N 3.3Å; I597-S599 PolarHBondContact O-N 2.87Å; S599-Q601 VanDerWaalsContact C-N 3.34Å; S599-M602 PolarHBondContact O-N 2.82Å; S599-L603 WeakPolarHBondContact O-CG 3.05Å; S599-L603 PolarHBondContact O-N 2.84Å
600	Y	88.2	Confident	84.3	Confident	22 Å²	22	54.7 Å²	54.7	9%	0.086	27%	0.267	C	S	.	.	H	α-helix	trans	-67.2	-34.3	175.5	-69.5	-34.6	0	0	0	112.9	A584 L596 I597 M602 L603 E604 E605 P608 M609	A584-Y600 HydrophobicContact CB-CE1 4.2Å; L596-Y600 HydrophobicContact CD1-CD2 4.39Å; L596-Y600 HydrophobicContact CD1-CE1 4.18Å; L596-Y600 HydrophobicContact CD1-CE2 3.76Å; L596-Y600 HydrophobicContact CD2-CE2 3.8Å; L596-Y600 HydrophobicContact CG-CD2 3.96Å; L596-Y600 HydrophobicContact CG-CE2 3.44Å; L596-Y600 VanDerWaalsContact CG-CE2 3.44Å; L596-Y600 WeakPolarHBondContact O-CD2 3.46Å; L596-Y600 PolarHBondContact O-N 3.39Å; I597-Y600 PolarHBondContact O-N 2.87Å; Y600-M602 VanDerWaalsContact C-N 3.34Å; Y600-L603 PolarHBondContact O-N 2.78Å; Y600-E604 PolarHBondContact O-N 2.8Å; Y600-E605 HydrophobicContact CD1-CB 4.45Å; Y600-E605 PolarHBondContact O-N 2.79Å; Y600-P608 HydrophobicContact CD1-CB 4.18Å; Y600-P608 HydrophobicContact CD2-CB 4.07Å; Y600-P608 HydrophobicContact CE1-CB 3.78Å; Y600-P608 HydrophobicContact CE1-CG 4.33Å; Y600-P608 HydrophobicContact CE2-CB 3.61Å; Y600-P608 HydrophobicContact CG-CB 4.34Å; Y600-P608 VanDerWaalsContact CZ-CB 3.48Å; Y600-M609 HydrophobicContact CD2-CB 4.37Å
601	Q	84.5	Confident	84.3	Confident	77 Å²	77	59.9 Å²	59.9	36%	0.36	29%	0.293	S	S	.	.	H	α-helix	trans	-60.9	-44	172	178.6	179.2	4.3	0	0	111.2	I597 T598 S599 L603 E604 M609 T628	I597-Q601 WeakPolarHBondContact O-CB 3.36Å; I597-Q601 PolarHBondContact O-N 2.9Å; T598-Q601 WeakPolarHBondContact O-CB 3.3Å; T598-Q601 PolarHBondContact O-N 3.21Å; S599-Q601 VanDerWaalsContact C-N 3.34Å; Q601-L603 VanDerWaalsContact C-N 3.34Å; Q601-E604 PolarHBondContact O-N 2.68Å; Q601-M609 HydrophobicContact CB-CE 4.11Å; Q601-T628 HydrophobicContact CB-CG2 4.12Å; Q601-T628 HydrophobicContact CG-CG2 3.69Å
602	M	83	Confident	84.2	Confident	100 Å²	100	52.6 Å²	52.6	49%	0.493	26%	0.263	S	S	.	.	H	α-helix	trans	-71.4	-27.8	179.4	-65	-58.4	-71.7	0	0	113.2	W580 T598 S599 Y600 E604	W580-M602 HydrophobicContact CD2-CB 3.49Å; W580-M602 VanDerWaalsContact CD2-CB 3.49Å; W580-M602 HydrophobicContact CD2-CG 3.92Å; W580-M602 HydrophobicContact CE3-CB 3.88Å; W580-M602 HydrophobicContact CE3-CG 3.99Å; W580-M602 HydrophobicContact CG-CB 3.79Å; W580-M602 HydrophobicContact CH2-CB 4.45Å; W580-M602 HydrophobicContact CH2-CE 4.39Å; W580-M602 HydrophobicContact CH2-CG 3.78Å; W580-M602 HydrophobicContact CZ2-CB 4.12Å; W580-M602 HydrophobicContact CZ2-CE 3.61Å; W580-M602 HydrophobicContact CZ2-CG 3.71Å; W580-M602 HydrophobicContact CZ2-SD 4.42Å; W580-M602 HydrophobicContact CZ3-CB 4.34Å; W580-M602 HydrophobicContact CZ3-CG 3.91Å; T598-M602 VanDerWaalsContact O-CG 3.28Å; T598-M602 WeakPolarHBondContact O-CG 3.46Å; T598-M602 PolarHBondContact O-N 3.06Å; S599-M602 PolarHBondContact O-N 2.82Å; Y600-M602 VanDerWaalsContact C-N 3.34Å; M602-E604 VanDerWaalsContact C-N 3.34Å
603	L	83.6	Confident	84	Confident	47 Å²	47	52 Å²	52	25%	0.246	26%	0.258	C	S	.	.	H	α-helix	trans	-82	-8.5	172.7	-69.4	169.3	0	0	0	113.7	W580 E581 A584 S599 Y600 Q601 E605	W580-L603 HydrophobicContact CB-CD1 4.19Å; W580-L603 HydrophobicContact CB-CD2 3.66Å; W580-L603 HydrophobicContact CB-CG 3.67Å; E581-L603 HydrophobicContact CG-CD1 4.31Å; E581-L603 HydrophobicContact CG-CD2 3.74Å; A584-L603 HydrophobicContact CB-CD1 4.39Å; S599-L603 WeakPolarHBondContact O-CG 3.05Å; S599-L603 PolarHBondContact O-N 2.84Å; Y600-L603 PolarHBondContact O-N 2.78Å; Q601-L603 VanDerWaalsContact C-N 3.34Å; L603-E605 HydrophobicContact CB-CB 4.31Å; L603-E605 HydrophobicContact CB-CG 4.04Å; L603-E605 PolarHBondContact O-N 2.94Å
604	E	76	Confident	83.8	Confident	97 Å²	97	56.3 Å²	56.3	45%	0.453	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	28.3	-169.8	-59.4	-177.7	178.6	0	0	113.1	Y600 Q601 M602 Y606 R703	Y600-E604 PolarHBondContact O-N 2.8Å; Q601-E604 PolarHBondContact O-N 2.68Å; M602-E604 VanDerWaalsContact C-N 3.34Å; E604-Y606 HydrophobicContact CB-CE2 4.42Å; E604-Y606 WeakPolarHBondContact O-CE2 3.17Å; E604-Y606 PolarHBondContact O-N 3.43Å; E604-R703 IonicContact OE1-NH2 3.37Å; E604-R703 PolarHBondContact OE1-NH2 3.19Å; E604-R703 IonicContact OE2-NH2 3.62Å
605	E	80.2	Confident	83.5	Confident	87 Å²	87	54.8 Å²	54.8	41%	0.407	28%	0.281	S	S	.	.			trans	-95.4	90.1	179.4	-74	-168	178.2	0	0	111.7	Y600 L603 P608	Y600-E605 HydrophobicContact CD1-CB 4.45Å; Y600-E605 PolarHBondContact O-N 2.79Å; L603-E605 HydrophobicContact CB-CB 4.31Å; L603-E605 HydrophobicContact CB-CG 4.04Å; L603-E605 PolarHBondContact O-N 2.94Å; E605-P608 HydrophobicContact CB-CG 4.28Å
606	Y	80.4	Confident	83.1	Confident	48 Å²	48	52.7 Å²	52.7	19%	0.188	27%	0.273	C	S	.	.	H	α-helix	trans	-80.7	-23.8	-175.6	-52.6	-66.6	0	0	0	114.5	E604 M609 L610 T628 L629 A632 L634	E604-Y606 HydrophobicContact CB-CE2 4.42Å; E604-Y606 WeakPolarHBondContact O-CE2 3.17Å; E604-Y606 PolarHBondContact O-N 3.43Å; Y606-M609 WeakPolarHBondContact O-CB 3.34Å; Y606-M609 PolarHBondContact O-N 2.89Å; Y606-L610 WeakPolarHBondContact O-CG 3.29Å; Y606-L610 PolarHBondContact O-N 3.14Å; Y606-T628 HydrophobicContact CE1-CG2 4.48Å; Y606-L629 HydrophobicContact CD1-CD2 3.89Å; Y606-L629 HydrophobicContact CG-CD2 4.18Å; Y606-A632 HydrophobicContact CE1-CB 3.79Å; Y606-A632 HydrophobicContact CE2-CB 4.17Å; Y606-A632 WeakPolarHBondContact OH-CB 3.35Å; Y606-L634 HydrophobicContact CD1-CD1 4.28Å; Y606-L634 HydrophobicContact CD2-CD1 3.6Å; Y606-L634 HydrophobicContact CE2-CD1 4.22Å; Y606-L634 HydrophobicContact CG-CD1 3.63Å
607	Q	81.8	Confident	82.5	Confident	126 Å²	126	58.3 Å²	58.3	59%	0.589	31%	0.307	S	S	*	.	H	α-helix	trans	-66.9	-50.4	-179.2	-74.9	-65.3	-30.7	0	0	112.8	M609 L610 D611	Q607-M609 PolarHBondContact O-N 2.9Å; Q607-L610 WeakPolarHBondContact O-CB 3.37Å; Q607-L610 PolarHBondContact O-N 2.9Å; Q607-D611 PolarHBondContact O-N 2.78Å
608	P	83.3	Confident	82.1	Confident	38 Å²	38	61.4 Å²	61.4	25%	0.247	32%	0.324	C	S	.	.	H	α-helix	trans	-59.3	-30.1	172.6	-24	34.7	0	0	0	113.2	Y600 E605 L612	Y600-P608 HydrophobicContact CD1-CB 4.18Å; Y600-P608 HydrophobicContact CD2-CB 4.07Å; Y600-P608 HydrophobicContact CE1-CB 3.78Å; Y600-P608 HydrophobicContact CE1-CG 4.33Å; Y600-P608 HydrophobicContact CE2-CB 3.61Å; Y600-P608 HydrophobicContact CG-CB 4.34Å; Y600-P608 VanDerWaalsContact CZ-CB 3.48Å; E605-P608 HydrophobicContact CB-CG 4.28Å; P608-L612 WeakPolarHBondContact O-CB 3.29Å; P608-L612 PolarHBondContact O-N 2.64Å
609	M	82.7	Confident	81.8	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-68.5	-39.2	175.3	-168.6	-177.3	-69.8	0	0	111.6	I597 Y600 Q601 Y606 Q607 L612 V613 I625 T628	I597-M609 HydrophobicContact CG2-CE 4.22Å; I597-M609 HydrophobicContact CG2-SD 4.49Å; I597-M609 WeakPolarHBondContact O-CE 3.34Å; Y600-M609 HydrophobicContact CD2-CB 4.37Å; Q601-M609 HydrophobicContact CB-CE 4.11Å; Y606-M609 WeakPolarHBondContact O-CB 3.34Å; Y606-M609 PolarHBondContact O-N 2.89Å; Q607-M609 PolarHBondContact O-N 2.9Å; M609-L612 WeakPolarHBondContact O-CB 3.37Å; M609-L612 PolarHBondContact O-N 3.47Å; M609-V613 WeakPolarHBondContact O-CG2 3.4Å; M609-V613 PolarHBondContact O-N 3.41Å; M609-I625 HydrophobicContact CG-CB 4.49Å; M609-I625 HydrophobicContact CG-CD1 4.08Å; M609-I625 HydrophobicContact CG-CG1 3.88Å; M609-I625 HydrophobicContact CG-CG2 3.93Å; M609-I625 HydrophobicContact SD-CB 4.38Å; M609-I625 HydrophobicContact SD-CG1 4.1Å; M609-I625 HydrophobicContact SD-CG2 3.94Å; M609-T628 HydrophobicContact CE-CG2 4.37Å; M609-T628 HydrophobicContact SD-CG2 4.42Å
610	L	81.9	Confident	81.5	Confident	36 Å²	36	63.4 Å²	63.4	19%	0.188	33%	0.333	C	S	.	.	H	α-helix	trans	-66.2	-42.6	174	-69.8	171	0	0	0	111.9	Y606 Q607 L612 V613 L629 E637 I641	Y606-L610 WeakPolarHBondContact O-CG 3.29Å; Y606-L610 PolarHBondContact O-N 3.14Å; Q607-L610 WeakPolarHBondContact O-CB 3.37Å; Q607-L610 PolarHBondContact O-N 2.9Å; L610-L612 PolarHBondContact O-N 3.4Å; L610-V613 WeakPolarHBondContact O-CB 3.5Å; L610-V613 PolarHBondContact O-N 3.09Å; L610-V613 VanDerWaalsContact O-N 3.14Å; L610-L629 HydrophobicContact CD2-CD1 3.89Å; L610-E637 HydrophobicContact CD1-CG 4.28Å; L610-E637 HydrophobicContact CD2-CB 4.23Å; L610-I641 HydrophobicContact CD2-CD1 3.93Å
611	D	84.3	Confident	81.1	Confident	115 Å²	115	63.6 Å²	63.6	62%	0.615	34%	0.335	S	S	*	.	H	α-helix	trans	-61.8	-33.1	175.6	-68.2	-21	0	0	0	111.8	Q607 V613	Q607-D611 PolarHBondContact O-N 2.78Å; D611-V613 VanDerWaalsContact C-N 3.33Å; D611-V613 PolarHBondContact O-N 2.91Å
612	L	83.9	Confident	81	Confident	25 Å²	25	60.2 Å²	60.2	13%	0.131	32%	0.319	C	S	.	.	H	α-helix	trans	-65.5	-36.2	177.2	-172	66.6	0	0	0	111.5	L596 I597 P608 M609 L610 D614 S615 L616	L596-L612 HydrophobicContact CD2-CD1 4.04Å; L596-L612 HydrophobicContact CD2-CD2 4.13Å; L596-L612 HydrophobicContact CG-CD2 4.47Å; I597-L612 HydrophobicContact CD1-CD2 4.32Å; I597-L612 HydrophobicContact CG1-CD2 3.66Å; P608-L612 WeakPolarHBondContact O-CB 3.29Å; P608-L612 PolarHBondContact O-N 2.64Å; M609-L612 WeakPolarHBondContact O-CB 3.37Å; M609-L612 PolarHBondContact O-N 3.47Å; L610-L612 PolarHBondContact O-N 3.4Å; L612-D614 VanDerWaalsContact C-N 3.26Å; L612-D614 PolarHBondContact O-N 3.12Å; L612-S615 PolarHBondContact O-N 2.94Å; L612-S615 PolarHBondContact O-OG 2.95Å; L612-L616 HydrophobicContact CD1-CD2 4.5Å; L612-L616 HydrophobicContact CD2-CD2 4.48Å; L612-L616 HydrophobicContact CG-CD1 4.46Å; L612-L616 HydrophobicContact CG-CD2 4.08Å; L612-L616 HydrophobicContact CG-CG 4.29Å; L612-L616 WeakPolarHBondContact O-CG 3.49Å; L612-L616 PolarHBondContact O-N 3.41Å
613	V	82	Confident	81	Confident	12 Å²	12	56.8 Å²	56.8	7%	0.073	30%	0.302	C	S	.	.	H	α-helix	trans	-54.4	-40.7	-175.9	177.1	0	0	0	0	112.2	M609 L610 D611 S615 L616 I625 I641	M609-V613 WeakPolarHBondContact O-CG2 3.4Å; M609-V613 PolarHBondContact O-N 3.41Å; L610-V613 WeakPolarHBondContact O-CB 3.5Å; L610-V613 PolarHBondContact O-N 3.09Å; L610-V613 VanDerWaalsContact O-N 3.14Å; D611-V613 VanDerWaalsContact C-N 3.33Å; D611-V613 PolarHBondContact O-N 2.91Å; V613-S615 PolarHBondContact O-N 3.02Å; V613-S615 VanDerWaalsContact O-N 3.12Å; V613-L616 PolarHBondContact O-N 2.93Å; V613-L616 VanDerWaalsContact O-N 3.13Å; V613-I625 HydrophobicContact CG2-CD1 3.74Å; V613-I625 HydrophobicContact CG2-CG2 4.02Å; V613-I641 HydrophobicContact CG1-CG1 4.31Å; V613-I641 HydrophobicContact CG1-CG2 4.09Å; V613-I641 HydrophobicContact CG2-CD1 4.01Å; V613-I641 HydrophobicContact CG2-CG1 4.4Å
614	D	80	Confident	80.9	Confident	119 Å²	119	57.8 Å²	57.8	64%	0.636	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-15.6	-178.3	-71.3	-25.8	0	0	0	112.5	L612 K644	L612-D614 VanDerWaalsContact C-N 3.26Å; L612-D614 PolarHBondContact O-N 3.12Å; D614-K644 IonicContact OD1-NZ 3.42Å; D614-K644 PolarHBondContact OD1-NZ 3.43Å; D614-K644 IonicContact OD2-NZ 2.83Å
615	S	81.2	Confident	81.3	Confident	82 Å²	82	53.1 Å²	53.1	57%	0.573	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-9	176.3	72.7	0	0	0	0	114.8	L612 V613	L612-S615 PolarHBondContact O-N 2.94Å; L612-S615 PolarHBondContact O-OG 2.95Å; V613-S615 PolarHBondContact O-N 3.02Å; V613-S615 VanDerWaalsContact O-N 3.12Å
616	L	79.7	Confident	81.5	Confident	15 Å²	15	49 Å²	49	8%	0.079	26%	0.264	C	S	.	.			trans	-82.7	124.9	-172.8	-64.2	179.6	0	0	0	113.1	I597 L612 V613 Q621 M622 I625 K649	I597-L616 HydrophobicContact CD1-CD1 4.25Å; L612-L616 HydrophobicContact CD1-CD2 4.5Å; L612-L616 HydrophobicContact CD2-CD2 4.48Å; L612-L616 HydrophobicContact CG-CD1 4.46Å; L612-L616 HydrophobicContact CG-CD2 4.08Å; L612-L616 HydrophobicContact CG-CG 4.29Å; L612-L616 WeakPolarHBondContact O-CG 3.49Å; L612-L616 PolarHBondContact O-N 3.41Å; V613-L616 PolarHBondContact O-N 2.93Å; V613-L616 VanDerWaalsContact O-N 3.13Å; L616-Q621 HydrophobicContact CD1-CB 4.31Å; L616-M622 HydrophobicContact CB-CG 4.05Å; L616-M622 HydrophobicContact CB-SD 4.42Å; L616-M622 HydrophobicContact CD1-CG 4.07Å; L616-I625 HydrophobicContact CD1-CD1 3.5Å; L616-I625 VanDerWaalsContact CD1-CD1 3.5Å; L616-K649 PolarHBondContact O-NZ 2.84Å
617	T	76.1	Confident	81.6	Confident	127 Å²	127	48.7 Å²	48.7	78%	0.779	27%	0.268	S	S	*	.			trans	-91.4	-28.8	171.6	51.4	0	0	0	0	112.6	K649	T617-K649 PolarHBondContact O-NZ 2.94Å
618	D	78.2	Confident	81.5	Confident	65 Å²	65	43.3 Å²	43.3	35%	0.348	24%	0.243	S	C	.	.			trans	-75.7	135	-178.9	-165.6	-7.1	0	0	0	112.3	D620 Q621 M622	D618-D620 PolarHBondContact OD1-N 3.03Å; D618-D620 VanDerWaalsContact OD1-N 3.11Å; D618-Q621 HydrophobicContact CB-CB 4.28Å; D618-Q621 HydrophobicContact CB-CG 4.04Å; D618-M622 WeakPolarHBondContact O-CE 3.41Å; D618-M622 WeakPolarHBondContact O-CG 3.21Å
619	V	79.2	Confident	81.4	Confident	16 Å²	16	41.5 Å²	41.5	10%	0.097	23%	0.232	C	C	.	.	H	α-helix	trans	-79	-36.1	-179.8	177.4	0	0	0	0	111.2	M622 E623 K649 F651 W659	V619-M622 HydrophobicContact CB-CE 4.44Å; V619-M622 HydrophobicContact CG2-CE 4.22Å; V619-M622 PolarHBondContact O-N 2.88Å; V619-E623 PolarHBondContact O-N 3.37Å; V619-E623 VanDerWaalsContact O-N 3.1Å; V619-K649 HydrophobicContact CG2-CD 4.03Å; V619-F651 HydrophobicContact CG1-CD1 4.22Å; V619-F651 HydrophobicContact CG1-CE1 3.77Å; V619-F651 HydrophobicContact CG2-CE1 4.19Å; V619-W659 HydrophobicContact CG1-CZ2 3.75Å
620	D	80.5	Confident	81.3	Confident	77 Å²	77	41.9 Å²	41.9	41%	0.412	23%	0.234	S	C	.	.	H	α-helix	trans	-69.2	-38.3	-177.3	-70.6	-53.4	0	0	0	111.2	D618 M622 E623 E624 R658	D618-D620 PolarHBondContact OD1-N 3.03Å; D618-D620 VanDerWaalsContact OD1-N 3.11Å; D620-M622 VanDerWaalsContact C-N 3.31Å; D620-M622 PolarHBondContact O-N 3.36Å; D620-E623 WeakPolarHBondContact O-CB 3.23Å; D620-E623 PolarHBondContact O-N 2.82Å; D620-E623 VanDerWaalsContact O-N 3.14Å; D620-E624 PolarHBondContact O-N 2.89Å; D620-R658 IonicContact OD1-CZ 2.83Å; D620-R658 IonicContact OD1-NH1 3.5Å; D620-R658 PolarHBondContact OD1-NH1 3.35Å; D620-R658 VanDerWaalsContact OD1-NH1 3.15Å; D620-R658 IonicContact OD1-NH2 3.38Å; D620-R658 PolarHBondContact OD1-NH2 3.26Å
621	Q	80.8	Confident	80.9	Confident	27 Å²	27	44.6 Å²	44.6	13%	0.126	25%	0.249	C	C	.	.	H	α-helix	trans	-63	-35.6	174.4	-66.5	179.9	3.2	0	0	112.6	S593 I597 L616 D618 E624 I625	S593-Q621 VanDerWaalsContact CB-OE1 3.31Å; S593-Q621 VanDerWaalsContact OG-CD 3.3Å; S593-Q621 PolarHBondContact OG-NE2 2.84Å; S593-Q621 PolarHBondContact OG-OE1 3.21Å; I597-Q621 HydrophobicContact CD1-CB 3.94Å; I597-Q621 HydrophobicContact CD1-CG 4.48Å; L616-Q621 HydrophobicContact CD1-CB 4.31Å; D618-Q621 HydrophobicContact CB-CB 4.28Å; D618-Q621 HydrophobicContact CB-CG 4.04Å; Q621-E624 PolarHBondContact O-N 3.11Å; Q621-I625 WeakPolarHBondContact O-CG1 3.4Å; Q621-I625 PolarHBondContact O-N 2.93Å
622	M	81.6	Confident	80.3	Confident	5 Å²	5	39.5 Å²	39.5	3%	0.025	22%	0.222	C	C	.	.	H	α-helix	trans	-71.1	-33.8	175.6	-66.3	-174.7	-56.3	0	0	111.7	L616 D618 V619 D620 E624 I625 V626 C645 K649 W659	L616-M622 HydrophobicContact CB-CG 4.05Å; L616-M622 HydrophobicContact CB-SD 4.42Å; L616-M622 HydrophobicContact CD1-CG 4.07Å; D618-M622 WeakPolarHBondContact O-CE 3.41Å; D618-M622 WeakPolarHBondContact O-CG 3.21Å; V619-M622 HydrophobicContact CB-CE 4.44Å; V619-M622 HydrophobicContact CG2-CE 4.22Å; V619-M622 PolarHBondContact O-N 2.88Å; D620-M622 VanDerWaalsContact C-N 3.31Å; D620-M622 PolarHBondContact O-N 3.36Å; M622-E624 VanDerWaalsContact C-N 3.35Å; M622-I625 PolarHBondContact O-N 3.15Å; M622-V626 VanDerWaalsContact O-CG2 3.3Å; M622-V626 WeakPolarHBondContact O-CG2 3.2Å; M622-V626 PolarHBondContact O-N 3.21Å; M622-C645 WeakPolarHBondContact CE-SG 3.12Å; M622-C645 PolarHBondContact SD-SG 3.43Å; M622-K649 HydrophobicContact CE-CD 3.8Å; M622-W659 HydrophobicContact CB-CH2 4Å; M622-W659 HydrophobicContact CB-CZ2 4.22Å
623	E	82.8	Confident	79.7	Confident	28 Å²	28	39.2 Å²	39.2	13%	0.131	23%	0.225	C	C	.	.	H	α-helix	trans	-64.9	-39.2	174.6	-169.2	175.2	148.8	0	0	111.5	V619 D620 V626 T627 R658 W659 M662	V619-E623 PolarHBondContact O-N 3.37Å; V619-E623 VanDerWaalsContact O-N 3.1Å; D620-E623 WeakPolarHBondContact O-CB 3.23Å; D620-E623 PolarHBondContact O-N 2.82Å; D620-E623 VanDerWaalsContact O-N 3.14Å; E623-V626 PolarHBondContact O-N 3.49Å; E623-T627 WeakPolarHBondContact O-CB 3.47Å; E623-T627 PolarHBondContact O-N 2.93Å; E623-T627 PolarHBondContact O-OG1 3.29Å; E623-R658 IonicContact OE1-CZ 3.45Å; E623-R658 IonicContact OE1-NE 3.27Å; E623-R658 PolarHBondContact OE1-NE 3.03Å; E623-R658 IonicContact OE1-NH2 3.71Å; E623-R658 PolarHBondContact OE1-NH2 3.35Å; E623-R658 IonicContact OE2-CZ 2.77Å; E623-R658 VanDerWaalsContact OE2-CZ 3.27Å; E623-R658 IonicContact OE2-NE 4Å; E623-R658 PolarHBondContact OE2-NE 2.88Å; E623-R658 IonicContact OE2-NH2 2.72Å; E623-R658 PolarHBondContact OE2-NH2 2.5Å; E623-W659 HydrophobicContact CB-CZ2 4.24Å; E623-M662 HydrophobicContact CG-CE 3.71Å
624	E	82.9	Confident	79.3	Confident	68 Å²	68	40.9 Å²	40.9	32%	0.318	23%	0.234	S	C	.	.	H	α-helix	trans	-62.6	-43.9	174.6	-170.6	178.5	-176.8	0	0	112.2	I597 D620 Q621 M622 T627 T628	I597-E624 HydrophobicContact CG2-CG 4.4Å; D620-E624 PolarHBondContact O-N 2.89Å; Q621-E624 PolarHBondContact O-N 3.11Å; M622-E624 VanDerWaalsContact C-N 3.35Å; E624-T627 PolarHBondContact O-N 2.86Å; E624-T628 WeakPolarHBondContact O-CB 3.35Å; E624-T628 PolarHBondContact O-N 3.49Å; E624-T628 PolarHBondContact O-OG1 2.88Å
625	I	83.5	Confident	79.2	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61	-47.6	174.7	-67.5	172.8	0	0	0	110.7	I597 M609 V613 L616 Q621 M622 T627 T628 L629 I641	I597-I625 HydrophobicContact CD1-CD1 3.76Å; I597-I625 HydrophobicContact CD1-CG1 3.85Å; I597-I625 HydrophobicContact CG1-CD1 3.92Å; I597-I625 HydrophobicContact CG1-CG1 3.94Å; I597-I625 HydrophobicContact CG2-CG1 3.86Å; M609-I625 HydrophobicContact CG-CB 4.49Å; M609-I625 HydrophobicContact CG-CD1 4.08Å; M609-I625 HydrophobicContact CG-CG1 3.88Å; M609-I625 HydrophobicContact CG-CG2 3.93Å; M609-I625 HydrophobicContact SD-CB 4.38Å; M609-I625 HydrophobicContact SD-CG1 4.1Å; M609-I625 HydrophobicContact SD-CG2 3.94Å; V613-I625 HydrophobicContact CG2-CD1 3.74Å; V613-I625 HydrophobicContact CG2-CG2 4.02Å; L616-I625 HydrophobicContact CD1-CD1 3.5Å; L616-I625 VanDerWaalsContact CD1-CD1 3.5Å; Q621-I625 WeakPolarHBondContact O-CG1 3.4Å; Q621-I625 PolarHBondContact O-N 2.93Å; M622-I625 PolarHBondContact O-N 3.15Å; I625-T627 VanDerWaalsContact C-N 3.32Å; I625-T627 PolarHBondContact O-N 2.85Å; I625-T628 PolarHBondContact O-N 3.28Å; I625-L629 HydrophobicContact CG2-CD1 3.73Å; I625-L629 HydrophobicContact CG2-CG 4.2Å; I625-L629 WeakPolarHBondContact O-CB 3.19Å; I625-L629 VanDerWaalsContact O-CG 3.32Å; I625-L629 WeakPolarHBondContact O-CG 3.14Å; I625-L629 PolarHBondContact O-N 3.09Å; I625-I641 HydrophobicContact CG2-CD1 3.89Å
626	V	84.2	Confident	79	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-59.8	-43.8	179.1	167.7	0	0	0	0	110.9	M622 E623 L629 T630 A638 I641 I642 W659 M662 V666	M622-V626 VanDerWaalsContact O-CG2 3.3Å; M622-V626 WeakPolarHBondContact O-CG2 3.2Å; M622-V626 PolarHBondContact O-N 3.21Å; E623-V626 PolarHBondContact O-N 3.49Å; V626-L629 PolarHBondContact O-N 2.82Å; V626-T630 WeakPolarHBondContact O-CB 3.33Å; V626-T630 PolarHBondContact O-N 2.78Å; V626-T630 PolarHBondContact O-OG1 3.05Å; V626-A638 HydrophobicContact CG1-CB 4.27Å; V626-I641 HydrophobicContact CG2-CB 3.9Å; V626-I641 HydrophobicContact CG2-CD1 4.41Å; V626-I641 HydrophobicContact CG2-CG2 3.56Å; V626-I642 HydrophobicContact CG1-CD1 3.84Å; V626-I642 HydrophobicContact CG1-CG1 3.97Å; V626-I642 HydrophobicContact CG2-CG1 4.2Å; V626-W659 HydrophobicContact CG2-CH2 4.49Å; V626-W659 HydrophobicContact CG2-CZ3 4.42Å; V626-M662 HydrophobicContact CG1-CG 3.66Å; V626-M662 HydrophobicContact CG1-SD 4.22Å; V626-V666 HydrophobicContact CG1-CG2 4.14Å
627	T	82.7	Confident	79.1	Confident	42 Å²	42	37.1 Å²	37.1	26%	0.258	21%	0.212	S	C	.	.	H	α-helix	trans	-63.4	-43.9	177.9	-51.1	0	0	0	0	110.8	E623 E624 I625 T630 N631 M662	E623-T627 WeakPolarHBondContact O-CB 3.47Å; E623-T627 PolarHBondContact O-N 2.93Å; E623-T627 PolarHBondContact O-OG1 3.29Å; E624-T627 PolarHBondContact O-N 2.86Å; I625-T627 VanDerWaalsContact C-N 3.32Å; I625-T627 PolarHBondContact O-N 2.85Å; T627-T630 PolarHBondContact O-N 3.4Å; T627-N631 WeakPolarHBondContact O-CB 3.38Å; T627-N631 PolarHBondContact O-N 2.91Å; T627-N631 PolarHBondContact O-ND2 3.22Å; T627-M662 VanDerWaalsContact OG1-CE 3.26Å; T627-M662 WeakPolarHBondContact OG1-CE 3.39Å
628	T	80.1	Confident	79.3	Confident	12 Å²	12	31 Å²	31	7%	0.074	18%	0.175	C	C	.	.	H	α-helix	trans	-63.4	-46	178.6	-58.8	0	0	0	0	112	Q601 Y606 M609 E624 I625 T630 N631 A632	Q601-T628 HydrophobicContact CB-CG2 4.12Å; Q601-T628 HydrophobicContact CG-CG2 3.69Å; Y606-T628 HydrophobicContact CE1-CG2 4.48Å; M609-T628 HydrophobicContact CE-CG2 4.37Å; M609-T628 HydrophobicContact SD-CG2 4.42Å; E624-T628 WeakPolarHBondContact O-CB 3.35Å; E624-T628 PolarHBondContact O-N 3.49Å; E624-T628 PolarHBondContact O-OG1 2.88Å; I625-T628 PolarHBondContact O-N 3.28Å; T628-T630 VanDerWaalsContact C-N 3.35Å; T628-T630 PolarHBondContact O-N 2.82Å; T628-N631 PolarHBondContact O-N 3.28Å; T628-A632 WeakPolarHBondContact O-CB 3.39Å; T628-A632 PolarHBondContact O-N 3.41Å
629	L	82.2	Confident	79.5	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63.8	-40	176.5	-71.5	172.5	0	0	0	111.9	Y606 L610 I625 V626 A632 G633 L634 E637 A638 I641	Y606-L629 HydrophobicContact CD1-CD2 3.89Å; Y606-L629 HydrophobicContact CG-CD2 4.18Å; L610-L629 HydrophobicContact CD2-CD1 3.89Å; I625-L629 HydrophobicContact CG2-CD1 3.73Å; I625-L629 HydrophobicContact CG2-CG 4.2Å; I625-L629 WeakPolarHBondContact O-CB 3.19Å; I625-L629 VanDerWaalsContact O-CG 3.32Å; I625-L629 WeakPolarHBondContact O-CG 3.14Å; I625-L629 PolarHBondContact O-N 3.09Å; V626-L629 PolarHBondContact O-N 2.82Å; L629-A632 CarbonylContact O-C 3.57Å; L629-A632 WeakPolarHBondContact O-CB 3.44Å; L629-A632 PolarHBondContact O-N 3.13Å; L629-A632 VanDerWaalsContact O-N 3.15Å; L629-G633 PolarHBondContact O-N 2.89Å; L629-G633 VanDerWaalsContact O-N 3.13Å; L629-L634 HydrophobicContact CB-CB 4.31Å; L629-L634 HydrophobicContact CD2-CB 4.13Å; L629-L634 HydrophobicContact CD2-CD1 3.74Å; L629-L634 PolarHBondContact O-N 2.87Å; L629-E637 HydrophobicContact CD1-CB 4.46Å; L629-A638 HydrophobicContact CB-CB 4.15Å; L629-I641 HydrophobicContact CD1-CD1 3.41Å; L629-I641 VanDerWaalsContact CD1-CD1 3.41Å
630	T	78.9	Confident	79.6	Confident	8 Å²	8	36.2 Å²	36.2	5%	0.049	20%	0.196	C	C	.	.	H	α-helix	trans	-63.9	-44.7	177.3	-53.6	0	0	0	0	111	V626 T627 T628 A632 G633 F665 V666 S669	V626-T630 WeakPolarHBondContact O-CB 3.33Å; V626-T630 PolarHBondContact O-N 2.78Å; V626-T630 PolarHBondContact O-OG1 3.05Å; T627-T630 PolarHBondContact O-N 3.4Å; T628-T630 VanDerWaalsContact C-N 3.35Å; T628-T630 PolarHBondContact O-N 2.82Å; T630-A632 PolarHBondContact O-N 3.45Å; T630-G633 PolarHBondContact O-N 3.3Å; T630-F665 HydrophobicContact CG2-CD1 3.76Å; T630-F665 HydrophobicContact CG2-CE1 3.46Å; T630-F665 VanDerWaalsContact CG2-CE1 3.46Å; T630-F665 HydrophobicContact CG2-CZ 4.26Å; T630-V666 HydrophobicContact CG2-CB 4.46Å; T630-V666 HydrophobicContact CG2-CG2 4.13Å; T630-V666 VanDerWaalsContact OG1-CG2 3.32Å; T630-V666 WeakPolarHBondContact OG1-CG2 3.39Å; T630-S669 VanDerWaalsContact CG2-OG 3.25Å; T630-S669 WeakPolarHBondContact CG2-OG 3.41Å
631	N	74.7	Confident	79.7	Confident	94 Å²	94	32.9 Å²	32.9	50%	0.503	18%	0.178	S	C	.	.	H	α-helix	trans	-68.7	-19.6	174.9	-67.4	-18.7	0	0	0	113.4	T627 T628 K704	T627-N631 WeakPolarHBondContact O-CB 3.38Å; T627-N631 PolarHBondContact O-N 2.91Å; T627-N631 PolarHBondContact O-ND2 3.22Å; T628-N631 PolarHBondContact O-N 3.28Å; N631-K704 PolarHBondContact O-NZ 3.37Å; N631-K704 VanDerWaalsContact O-NZ 3.11Å
632	A	71.3	Confident	79.7	Confident	7 Å²	7	32.2 Å²	32.2	6%	0.058	18%	0.175	C	C	.	.	H	α-helix	trans	-83.9	-10.7	171.4	0	0	0	0	0	113.2	Y606 T628 L629 T630 L634	Y606-A632 HydrophobicContact CE1-CB 3.79Å; Y606-A632 HydrophobicContact CE2-CB 4.17Å; Y606-A632 WeakPolarHBondContact OH-CB 3.35Å; T628-A632 WeakPolarHBondContact O-CB 3.39Å; T628-A632 PolarHBondContact O-N 3.41Å; L629-A632 CarbonylContact O-C 3.57Å; L629-A632 WeakPolarHBondContact O-CB 3.44Å; L629-A632 PolarHBondContact O-N 3.13Å; L629-A632 VanDerWaalsContact O-N 3.15Å; T630-A632 PolarHBondContact O-N 3.45Å; A632-L634 HydrophobicContact CB-CD1 4.47Å
633	G	70.3	Confident	79.7	Confident	19 Å²	19	38.1 Å²	38.1	20%	0.196	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.9	0.4	-176	0	0	0	0	0	114.8	L629 T630 S635	L629-G633 PolarHBondContact O-N 2.89Å; L629-G633 VanDerWaalsContact O-N 3.13Å; T630-G633 PolarHBondContact O-N 3.3Å; G633-S635 PolarHBondContact O-N 2.6Å
634	L	75.4	Confident	79.5	Confident	48 Å²	48	40.5 Å²	40.5	25%	0.251	21%	0.211	S	C	.	.			trans	-84.5	58.2	179.8	-65	169.8	0	0	0	111.2	Y606 L629 A632 S636 A638	Y606-L634 HydrophobicContact CD1-CD1 4.28Å; Y606-L634 HydrophobicContact CD2-CD1 3.6Å; Y606-L634 HydrophobicContact CE2-CD1 4.22Å; Y606-L634 HydrophobicContact CG-CD1 3.63Å; L629-L634 HydrophobicContact CB-CB 4.31Å; L629-L634 HydrophobicContact CD2-CB 4.13Å; L629-L634 HydrophobicContact CD2-CD1 3.74Å; L629-L634 PolarHBondContact O-N 2.87Å; A632-L634 HydrophobicContact CB-CD1 4.47Å; L634-S636 VanDerWaalsContact C-N 3.35Å; L634-S636 PolarHBondContact O-N 3.18Å; L634-A638 WeakPolarHBondContact O-CB 3.37Å; L634-A638 PolarHBondContact O-N 3.37Å; L634-A638 VanDerWaalsContact O-N 3.11Å
635	S	76	Confident	79.2	Confident	13 Å²	13	37.6 Å²	37.6	9%	0.091	20%	0.197	C	C	.	.	H	α-helix	trans	-70.6	-26.5	-173.2	57.5	0	0	0	0	114.2	G633 Q639 V666 Q670	G633-S635 PolarHBondContact O-N 2.6Å; S635-Q639 WeakPolarHBondContact O-CB 3.12Å; S635-Q639 PolarHBondContact O-N 3.02Å; S635-V666 WeakPolarHBondContact O-CG1 3.28Å; S635-Q670 VanDerWaalsContact CB-CG 3.48Å; S635-Q670 WeakPolarHBondContact OG-CG 3.19Å; S635-Q670 PolarHBondContact OG-NE2 2.9Å
636	S	77.6	Confident	78.7	Confident	69 Å²	69	44.6 Å²	44.6	48%	0.483	22%	0.224	S	C	.	.	H	α-helix	trans	-66	-47.4	174.8	27.4	0	0	0	0	112	L634 Q639 E640	L634-S636 VanDerWaalsContact C-N 3.35Å; L634-S636 PolarHBondContact O-N 3.18Å; S636-Q639 WeakPolarHBondContact O-CB 3.44Å; S636-Q639 PolarHBondContact O-N 3.18Å; S636-E640 PolarHBondContact O-N 3.01Å
637	E	81.8	Confident	78.1	Confident	54 Å²	54	50.8 Å²	50.8	25%	0.252	25%	0.253	S	S	.	.	H	α-helix	trans	-66.6	-40.9	178.8	-64.9	84.8	162.3	0	0	110	L610 L629 Q639 E640 I641	L610-E637 HydrophobicContact CD1-CG 4.28Å; L610-E637 HydrophobicContact CD2-CB 4.23Å; L629-E637 HydrophobicContact CD1-CB 4.46Å; E637-Q639 VanDerWaalsContact C-N 3.34Å; E637-Q639 PolarHBondContact O-N 3.49Å; E637-E640 PolarHBondContact O-N 3.23Å; E637-I641 WeakPolarHBondContact O-CG1 3.43Å; E637-I641 PolarHBondContact O-N 2.9Å; E637-I641 VanDerWaalsContact O-N 3.09Å
638	A	80.6	Confident	77.4	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-59.1	-42.4	172.1	0	0	0	0	0	112.2	V626 L629 L634 I641 I642 V666	V626-A638 HydrophobicContact CG1-CB 4.27Å; L629-A638 HydrophobicContact CB-CB 4.15Å; L634-A638 WeakPolarHBondContact O-CB 3.37Å; L634-A638 PolarHBondContact O-N 3.37Å; L634-A638 VanDerWaalsContact O-N 3.11Å; A638-I641 PolarHBondContact O-N 3.44Å; A638-I642 VanDerWaalsContact O-CG1 3.3Å; A638-I642 WeakPolarHBondContact O-CG1 3.3Å; A638-I642 PolarHBondContact O-N 3.33Å; A638-V666 HydrophobicContact CB-CG1 4.09Å; A638-V666 HydrophobicContact CB-CG2 4.32Å
639	Q	81.6	Confident	76.8	Confident	70 Å²	70	57.2 Å²	57.2	33%	0.327	28%	0.283	S	S	.	.	H	α-helix	trans	-64.7	-37.6	175.3	-87.2	177.1	-15.5	0	0	112.9	S635 S636 E637 I642 K643 V666 Q670	S635-Q639 WeakPolarHBondContact O-CB 3.12Å; S635-Q639 PolarHBondContact O-N 3.02Å; S636-Q639 WeakPolarHBondContact O-CB 3.44Å; S636-Q639 PolarHBondContact O-N 3.18Å; E637-Q639 VanDerWaalsContact C-N 3.34Å; E637-Q639 PolarHBondContact O-N 3.49Å; Q639-I642 PolarHBondContact O-N 2.91Å; Q639-K643 WeakPolarHBondContact O-CB 3.41Å; Q639-K643 PolarHBondContact O-N 3.41Å; Q639-V666 HydrophobicContact CG-CG1 3.92Å; Q639-Q670 VanDerWaalsContact NE2-OE1 3.11Å
640	E	82.8	Confident	76.2	Confident	119 Å²	119	64.4 Å²	64.4	56%	0.556	33%	0.326	S	S	*	.	H	α-helix	trans	-65.1	-40.7	177.6	-166	175.4	175.2	0	0	111.5	S636 E637 K643 K644	S636-E640 PolarHBondContact O-N 3.01Å; E637-E640 PolarHBondContact O-N 3.23Å; E640-K643 PolarHBondContact O-N 2.87Å; E640-K644 PolarHBondContact O-N 3.32Å
641	I	81.3	Confident	75.7	Confident	7 Å²	7	66 Å²	66	4%	0.036	33%	0.333	C	S	.	.	H	α-helix	trans	-63.2	-45.7	173.8	-62.1	166.5	0	0	0	110.7	L610 V613 I625 V626 L629 E637 A638 K643 K644 C645	L610-I641 HydrophobicContact CD2-CD1 3.93Å; V613-I641 HydrophobicContact CG1-CG1 4.31Å; V613-I641 HydrophobicContact CG1-CG2 4.09Å; V613-I641 HydrophobicContact CG2-CD1 4.01Å; V613-I641 HydrophobicContact CG2-CG1 4.4Å; I625-I641 HydrophobicContact CG2-CD1 3.89Å; V626-I641 HydrophobicContact CG2-CB 3.9Å; V626-I641 HydrophobicContact CG2-CD1 4.41Å; V626-I641 HydrophobicContact CG2-CG2 3.56Å; L629-I641 HydrophobicContact CD1-CD1 3.41Å; L629-I641 VanDerWaalsContact CD1-CD1 3.41Å; E637-I641 WeakPolarHBondContact O-CG1 3.43Å; E637-I641 PolarHBondContact O-N 2.9Å; E637-I641 VanDerWaalsContact O-N 3.09Å; A638-I641 PolarHBondContact O-N 3.44Å; I641-K643 VanDerWaalsContact C-N 3.26Å; I641-K643 PolarHBondContact O-N 3.14Å; I641-K644 PolarHBondContact O-N 2.89Å; I641-C645 WeakPolarHBondContact O-CB 3.09Å; I641-C645 PolarHBondContact O-N 3.12Å; I641-C645 PolarHBondContact O-SG 3.11Å
642	I	80.6	Confident	75.6	Confident	13 Å²	13	65.2 Å²	65.2	7%	0.067	33%	0.331	C	S	.	.	H	α-helix	trans	-58.4	-40.6	176.5	-67.7	168.3	0	0	0	111	V626 A638 Q639 R646 W659 M662 V666	V626-I642 HydrophobicContact CG1-CD1 3.84Å; V626-I642 HydrophobicContact CG1-CG1 3.97Å; V626-I642 HydrophobicContact CG2-CG1 4.2Å; A638-I642 VanDerWaalsContact O-CG1 3.3Å; A638-I642 WeakPolarHBondContact O-CG1 3.3Å; A638-I642 PolarHBondContact O-N 3.33Å; Q639-I642 PolarHBondContact O-N 2.91Å; I642-R646 PolarHBondContact O-N 3.49Å; I642-R646 VanDerWaalsContact O-N 3.13Å; I642-W659 HydrophobicContact CB-CZ3 4.4Å; I642-W659 HydrophobicContact CG1-CE3 4.16Å; I642-W659 HydrophobicContact CG1-CZ3 3.93Å; I642-W659 HydrophobicContact CG2-CE3 4.38Å; I642-M662 HydrophobicContact CD1-CG 4.46Å; I642-V666 HydrophobicContact CD1-CB 4.41Å; I642-V666 HydrophobicContact CD1-CG2 3.71Å
643	K	81.9	Confident	75.7	Confident	129 Å²	129	73.6 Å²	73.6	56%	0.561	37%	0.369	S	S	*	.	H	α-helix	trans	-67.2	-49.7	178	-170.9	-177.6	174.5	-170.6	0	111.9	Q639 E640 I641 C645 R646 E647	Q639-K643 WeakPolarHBondContact O-CB 3.41Å; Q639-K643 PolarHBondContact O-N 3.41Å; E640-K643 PolarHBondContact O-N 2.87Å; I641-K643 VanDerWaalsContact C-N 3.26Å; I641-K643 PolarHBondContact O-N 3.14Å; K643-C645 VanDerWaalsContact C-N 3.27Å; K643-C645 PolarHBondContact O-N 3.47Å; K643-R646 PolarHBondContact O-N 2.92Å; K643-E647 WeakPolarHBondContact CE-OE1 3.46Å; K643-E647 PolarHBondContact O-N 3.06Å; K643-E647 VanDerWaalsContact O-N 3.16Å
644	K	79.4	Confident	75.9	Confident	79 Å²	79	80.3 Å²	80.3	34%	0.343	40%	0.395	S	S	.	.	H	α-helix	trans	-56.7	-41.1	176.5	-80.1	-177	173.3	-174.9	0	111.7	D614 E640 I641 E647 N648	D614-K644 IonicContact OD1-NZ 3.42Å; D614-K644 PolarHBondContact OD1-NZ 3.43Å; D614-K644 IonicContact OD2-NZ 2.83Å; E640-K644 PolarHBondContact O-N 3.32Å; I641-K644 PolarHBondContact O-N 2.89Å; K644-E647 PolarHBondContact O-N 3.04Å; K644-N648 WeakPolarHBondContact O-CB 3.43Å; K644-N648 PolarHBondContact O-N 3.03Å; K644-N648 VanDerWaalsContact O-N 3.16Å
645	C	76.1	Confident	75.8	Confident	6 Å²	6	80.4 Å²	80.4	4%	0.041	39%	0.394	C	S	.	.	H	α-helix	trans	-66.3	-39.7	178.8	-76	0	0	0	0	112.8	M622 I641 K643 E647 K649 F651 W659	M622-C645 WeakPolarHBondContact CE-SG 3.12Å; M622-C645 PolarHBondContact SD-SG 3.43Å; I641-C645 WeakPolarHBondContact O-CB 3.09Å; I641-C645 PolarHBondContact O-N 3.12Å; I641-C645 PolarHBondContact O-SG 3.11Å; K643-C645 VanDerWaalsContact C-N 3.27Å; K643-C645 PolarHBondContact O-N 3.47Å; C645-E647 VanDerWaalsContact C-N 3.32Å; C645-E647 PolarHBondContact O-N 3.39Å; C645-K649 PolarHBondContact O-N 2.87Å; C645-F651 HydrophobicContact CB-CZ 4.08Å; C645-F651 WeakPolarHBondContact O-CZ 3.28Å; C645-W659 HydrophobicContact CB-CE3 4.45Å; C645-W659 HydrophobicContact CB-CH2 3.98Å; C645-W659 HydrophobicContact CB-CZ3 3.87Å
646	R	73.4	Confident	75.6	Confident	147 Å²	147	82 Å²	82	56%	0.555	41%	0.408	S	S	*	.	H	α-helix	trans	-65.2	-32.1	174.7	-83.6	-172.7	179	175.5	5.2	114.1	I642 K643 F651	I642-R646 PolarHBondContact O-N 3.49Å; I642-R646 VanDerWaalsContact O-N 3.13Å; K643-R646 PolarHBondContact O-N 2.92Å; R646-F651 HydrophobicContact CG-CE2 4.33Å
647	E	71.8	Confident	75.5	Confident	131 Å²	131	81.4 Å²	81.4	61%	0.612	41%	0.408	S	S	*	.	H	α-helix	trans	-80.9	-30.6	-178.9	-69.9	174.4	-176.7	0	0	112.3	K643 K644 C645	K643-E647 WeakPolarHBondContact CE-OE1 3.46Å; K643-E647 PolarHBondContact O-N 3.06Å; K643-E647 VanDerWaalsContact O-N 3.16Å; K644-E647 PolarHBondContact O-N 3.04Å; C645-E647 VanDerWaalsContact C-N 3.32Å; C645-E647 PolarHBondContact O-N 3.39Å
648	N	68.3	Low	75.2	Confident	133 Å²	133	84 Å²	84	71%	0.711	42%	0.415	S	S	*	.	H	α-helix	trans	-106.9	-17.1	-168.5	-71.8	-23.8	0	0	0	116.1	K644	K644-N648 WeakPolarHBondContact O-CB 3.43Å; K644-N648 PolarHBondContact O-N 3.03Å; K644-N648 VanDerWaalsContact O-N 3.16Å
649	K	67.7	Low	75.1	Confident	56 Å²	56	84.2 Å²	84.2	24%	0.243	42%	0.416	C	S	.	.			trans	-125.1	140.9	-174.3	-65.6	-171.4	-174.9	174.2	0	112.8	L616 T617 V619 M622 C645 F651	L616-K649 PolarHBondContact O-NZ 2.84Å; T617-K649 PolarHBondContact O-NZ 2.94Å; V619-K649 HydrophobicContact CG2-CD 4.03Å; M622-K649 HydrophobicContact CE-CD 3.8Å; C645-K649 PolarHBondContact O-N 2.87Å; K649-F651 HydrophobicContact CB-CE1 4.45Å; K649-F651 HydrophobicContact CB-CZ 4.41Å
650	V	68.2	Low	74.9	Confident	150 Å²	150	87.3 Å²	87.3	91%	0.909	43%	0.429	S	S	*	.			trans	-85.6	112.7	171.6	-177.6	0	0	0	0	107.8
651	F	69.3	Low	74.7	Confident	43 Å²	43	88.6 Å²	88.6	19%	0.189	43%	0.434	C	S	.	.			trans	-87.9	148.5	178.3	-62.9	-67.1	0	0	0	111.8	V619 C645 R646 K649 Q655 A656 W659	V619-F651 HydrophobicContact CG1-CD1 4.22Å; V619-F651 HydrophobicContact CG1-CE1 3.77Å; V619-F651 HydrophobicContact CG2-CE1 4.19Å; C645-F651 HydrophobicContact CB-CZ 4.08Å; C645-F651 WeakPolarHBondContact O-CZ 3.28Å; R646-F651 HydrophobicContact CG-CE2 4.33Å; K649-F651 HydrophobicContact CB-CE1 4.45Å; K649-F651 HydrophobicContact CB-CZ 4.41Å; F651-Q655 HydrophobicContact CB-CB 3.92Å; F651-Q655 HydrophobicContact CD1-CB 3.99Å; F651-Q655 HydrophobicContact CG-CB 4.36Å; F651-A656 HydrophobicContact CB-CB 4.27Å; F651-W659 HydrophobicContact CE1-CD2 4.44Å; F651-W659 HydrophobicContact CE1-CG 4.46Å; F651-W659 HydrophobicContact CZ-CD2 4.35Å
652	T	72.8	Confident	74.4	Confident	76 Å²	76	89.3 Å²	89.3	47%	0.466	44%	0.438	S	S	.	.			trans	-68.2	162.6	160.3	64.5	0	0	0	0	110.4	E654 Q655 A656	T652-E654 VanDerWaalsContact C-N 3.27Å; T652-E654 PolarHBondContact O-N 3.01Å; T652-Q655 PolarHBondContact O-N 3.07Å; T652-Q655 VanDerWaalsContact O-N 3.16Å; T652-Q655 WeakPolarHBondContact OG1-CB 3.48Å; T652-Q655 VanDerWaalsContact OG1-CG 3.25Å; T652-Q655 WeakPolarHBondContact OG1-CG 3.44Å; T652-Q655 PolarHBondContact OG1-N 3.46Å; T652-Q655 PolarHBondContact OG1-OE1 3.18Å; T652-A656 PolarHBondContact O-N 3.26Å
653	E	72.8	Confident	74.2	Confident	183 Å²	183	89.3 Å²	89.3	86%	0.855	44%	0.441	S	S	*	.	H	α-helix	trans	-60.7	-37	-178.1	-149.7	172.2	-166.9	0	0	112.2	A656 A657	E653-A656 PolarHBondContact O-N 3.49Å; E653-A657 PolarHBondContact O-N 2.8Å; E653-A657 VanDerWaalsContact O-N 3.11Å
654	E	74.7	Confident	74	Confident	161 Å²	161	88 Å²	88	75%	0.752	44%	0.439	S	S	*	.	H	α-helix	trans	-65.9	-44.4	173.7	-67	-179.8	169.4	0	0	112.5	T652 A657 R658	T652-E654 VanDerWaalsContact C-N 3.27Å; T652-E654 PolarHBondContact O-N 3.01Å; E654-A657 PolarHBondContact O-N 2.7Å; E654-R658 PolarHBondContact O-N 2.89Å
655	Q	72.4	Confident	73.9	Confident	49 Å²	49	88.2 Å²	88.2	23%	0.229	44%	0.44	C	S	.	.	H	α-helix	trans	-62.5	-43.7	175.5	-74.4	171.4	-18.9	0	0	110.6	F651 T652 A657 R658 W659	F651-Q655 HydrophobicContact CB-CB 3.92Å; F651-Q655 HydrophobicContact CD1-CB 3.99Å; F651-Q655 HydrophobicContact CG-CB 4.36Å; T652-Q655 PolarHBondContact O-N 3.07Å; T652-Q655 VanDerWaalsContact O-N 3.16Å; T652-Q655 WeakPolarHBondContact OG1-CB 3.48Å; T652-Q655 VanDerWaalsContact OG1-CG 3.25Å; T652-Q655 WeakPolarHBondContact OG1-CG 3.44Å; T652-Q655 PolarHBondContact OG1-N 3.46Å; T652-Q655 PolarHBondContact OG1-OE1 3.18Å; Q655-A657 VanDerWaalsContact C-N 3.28Å; Q655-A657 PolarHBondContact O-N 2.89Å; Q655-R658 PolarHBondContact O-N 3.42Å; Q655-W659 PolarHBondContact O-N 3.32Å
656	A	71.9	Confident	73.8	Confident	47 Å²	47	87.9 Å²	87.9	39%	0.388	44%	0.438	S	S	.	.	H	α-helix	trans	-60.2	-38.3	177.7	0	0	0	0	0	112.3	F651 T652 E653 K660	F651-A656 HydrophobicContact CB-CB 4.27Å; T652-A656 PolarHBondContact O-N 3.26Å; E653-A656 PolarHBondContact O-N 3.49Å; A656-K660 WeakPolarHBondContact O-CB 3.49Å; A656-K660 PolarHBondContact O-N 3.27Å
657	A	76.8	Confident	73.7	Confident	57 Å²	57	85.9 Å²	85.9	47%	0.471	44%	0.435	S	S	.	.	H	α-helix	trans	-66.3	-45.8	175.2	0	0	0	0	0	112.4	E653 E654 Q655 K660 Q661	E653-A657 PolarHBondContact O-N 2.8Å; E653-A657 VanDerWaalsContact O-N 3.11Å; E654-A657 PolarHBondContact O-N 2.7Å; Q655-A657 VanDerWaalsContact C-N 3.28Å; Q655-A657 PolarHBondContact O-N 2.89Å; A657-K660 PolarHBondContact O-N 3.37Å; A657-Q661 PolarHBondContact O-N 2.97Å
658	R	75.7	Confident	73.6	Confident	109 Å²	109	82.2 Å²	82.2	41%	0.411	42%	0.424	S	S	.	.	H	α-helix	trans	-58.5	-49.1	175.3	-76.3	176.3	63.5	-169.8	-0.9	111.8	D620 E623 E654 Q655 K660 Q661 M662	D620-R658 IonicContact OD1-CZ 2.83Å; D620-R658 IonicContact OD1-NH1 3.5Å; D620-R658 PolarHBondContact OD1-NH1 3.35Å; D620-R658 VanDerWaalsContact OD1-NH1 3.15Å; D620-R658 IonicContact OD1-NH2 3.38Å; D620-R658 PolarHBondContact OD1-NH2 3.26Å; E623-R658 IonicContact OE1-CZ 3.45Å; E623-R658 IonicContact OE1-NE 3.27Å; E623-R658 PolarHBondContact OE1-NE 3.03Å; E623-R658 IonicContact OE1-NH2 3.71Å; E623-R658 PolarHBondContact OE1-NH2 3.35Å; E623-R658 IonicContact OE2-CZ 2.77Å; E623-R658 VanDerWaalsContact OE2-CZ 3.27Å; E623-R658 IonicContact OE2-NE 4Å; E623-R658 PolarHBondContact OE2-NE 2.88Å; E623-R658 IonicContact OE2-NH2 2.72Å; E623-R658 PolarHBondContact OE2-NH2 2.5Å; E654-R658 PolarHBondContact O-N 2.89Å; Q655-R658 PolarHBondContact O-N 3.42Å; R658-K660 VanDerWaalsContact C-N 3.27Å; R658-K660 PolarHBondContact O-N 2.75Å; R658-Q661 PolarHBondContact O-N 2.54Å; R658-Q661 VanDerWaalsContact O-N 3.12Å; R658-M662 PolarHBondContact O-N 3.3Å
659	W	78	Confident	73.3	Confident	3 Å²	3	76.7 Å²	76.7	1%	0.011	40%	0.396	C	S	.	.	H	α-helix	trans	-66.5	-27	179	-79.9	76.5	0	0	0	113.2	V619 M622 E623 V626 I642 C645 F651 Q655 G663	V619-W659 HydrophobicContact CG1-CZ2 3.75Å; M622-W659 HydrophobicContact CB-CH2 4Å; M622-W659 HydrophobicContact CB-CZ2 4.22Å; E623-W659 HydrophobicContact CB-CZ2 4.24Å; V626-W659 HydrophobicContact CG2-CH2 4.49Å; V626-W659 HydrophobicContact CG2-CZ3 4.42Å; I642-W659 HydrophobicContact CB-CZ3 4.4Å; I642-W659 HydrophobicContact CG1-CE3 4.16Å; I642-W659 HydrophobicContact CG1-CZ3 3.93Å; I642-W659 HydrophobicContact CG2-CE3 4.38Å; C645-W659 HydrophobicContact CB-CE3 4.45Å; C645-W659 HydrophobicContact CB-CH2 3.98Å; C645-W659 HydrophobicContact CB-CZ3 3.87Å; F651-W659 HydrophobicContact CE1-CD2 4.44Å; F651-W659 HydrophobicContact CE1-CG 4.46Å; F651-W659 HydrophobicContact CZ-CD2 4.35Å; Q655-W659 PolarHBondContact O-N 3.32Å; W659-G663 PolarHBondContact O-N 3.49Å
660	K	77.2	Confident	73	Confident	136 Å²	136	75.9 Å²	75.9	59%	0.591	39%	0.393	S	S	*	.	H	α-helix	trans	-70.6	-41.4	171.6	-168.8	178.2	-179.6	-178	0	111.8	A656 A657 R658 M662 G663 L664	A656-K660 WeakPolarHBondContact O-CB 3.49Å; A656-K660 PolarHBondContact O-N 3.27Å; A657-K660 PolarHBondContact O-N 3.37Å; R658-K660 VanDerWaalsContact C-N 3.27Å; R658-K660 PolarHBondContact O-N 2.75Å; K660-M662 VanDerWaalsContact C-N 3.34Å; K660-G663 PolarHBondContact O-N 2.89Å; K660-L664 PolarHBondContact O-N 2.85Å
661	Q	77.6	Confident	72.6	Confident	145 Å²	145	72.4 Å²	72.4	68%	0.678	37%	0.372	S	S	*	.	H	α-helix	trans	-64.7	-39.6	172.6	-73.1	-170.1	-11.1	0	0	111.8	A657 R658 G663 L664 F665	A657-Q661 PolarHBondContact O-N 2.97Å; R658-Q661 PolarHBondContact O-N 2.54Å; R658-Q661 VanDerWaalsContact O-N 3.12Å; Q661-G663 PolarHBondContact O-N 3.26Å; Q661-L664 WeakPolarHBondContact O-CB 3.38Å; Q661-L664 PolarHBondContact O-N 3.27Å; Q661-F665 PolarHBondContact O-N 3.39Å
662	M	76	Confident	72	Confident	23 Å²	23	74.3 Å²	74.3	11%	0.113	39%	0.387	C	S	.	.	H	α-helix	trans	-62	-43.9	175.8	-166.9	60.1	70.8	0	0	111.6	E623 V626 T627 I642 R658 K660 L664 F665 V666	E623-M662 HydrophobicContact CG-CE 3.71Å; V626-M662 HydrophobicContact CG1-CG 3.66Å; V626-M662 HydrophobicContact CG1-SD 4.22Å; T627-M662 VanDerWaalsContact OG1-CE 3.26Å; T627-M662 WeakPolarHBondContact OG1-CE 3.39Å; I642-M662 HydrophobicContact CD1-CG 4.46Å; R658-M662 PolarHBondContact O-N 3.3Å; K660-M662 VanDerWaalsContact C-N 3.34Å; M662-L664 VanDerWaalsContact C-N 3.31Å; M662-L664 PolarHBondContact O-N 3.32Å; M662-F665 WeakPolarHBondContact O-CA 3.44Å; M662-F665 WeakPolarHBondContact O-CB 3.48Å; M662-F665 PolarHBondContact O-N 3.01Å; M662-F665 HydrophobicContact SD-CD1 3.92Å; M662-V666 WeakPolarHBondContact O-CG2 3.28Å; M662-V666 PolarHBondContact O-N 2.85Å
663	G	75.7	Confident	71	Confident	12 Å²	12	72 Å²	72	12%	0.124	37%	0.373	C	S	.	.	H	α-helix	trans	-56.2	-43.9	173.6	0	0	0	0	0	113	W659 K660 Q661 F665 V666 E667	W659-G663 PolarHBondContact O-N 3.49Å; K660-G663 PolarHBondContact O-N 2.89Å; Q661-G663 PolarHBondContact O-N 3.26Å; G663-F665 VanDerWaalsContact C-N 3.34Å; G663-V666 PolarHBondContact O-N 3.11Å; G663-E667 WeakPolarHBondContact O-CB 3.26Å; G663-E667 WeakPolarHBondContact O-CG 3.36Å; G663-E667 PolarHBondContact O-N 2.83Å
664	L	77.1	Confident	70	Confident	102 Å²	102	69 Å²	69	53%	0.534	36%	0.357	S	S	.	.	H	α-helix	trans	-65.1	-36.6	174.6	-69.8	166.9	0	0	0	112.2	K660 Q661 M662 E667 S668	K660-L664 PolarHBondContact O-N 2.85Å; Q661-L664 WeakPolarHBondContact O-CB 3.38Å; Q661-L664 PolarHBondContact O-N 3.27Å; M662-L664 VanDerWaalsContact C-N 3.31Å; M662-L664 PolarHBondContact O-N 3.32Å; L664-E667 PolarHBondContact O-N 3.11Å; L664-S668 VanDerWaalsContact O-CB 3.3Å; L664-S668 WeakPolarHBondContact O-CB 3.33Å; L664-S668 PolarHBondContact O-N 2.84Å; L664-S668 PolarHBondContact O-OG 3.11Å
665	F	77.9	Confident	68.6	Low	83 Å²	83	65.7 Å²	65.7	36%	0.364	35%	0.345	S	S	.	.	H	α-helix	trans	-63.7	-47.4	174.8	177.4	-110.6	0	0	0	111.2	T630 Q661 M662 G663 E667 S668 S669	T630-F665 HydrophobicContact CG2-CD1 3.76Å; T630-F665 HydrophobicContact CG2-CE1 3.46Å; T630-F665 VanDerWaalsContact CG2-CE1 3.46Å; T630-F665 HydrophobicContact CG2-CZ 4.26Å; Q661-F665 PolarHBondContact O-N 3.39Å; M662-F665 WeakPolarHBondContact O-CA 3.44Å; M662-F665 WeakPolarHBondContact O-CB 3.48Å; M662-F665 PolarHBondContact O-N 3.01Å; M662-F665 HydrophobicContact SD-CD1 3.92Å; G663-F665 VanDerWaalsContact C-N 3.34Å; F665-E667 PolarHBondContact O-N 2.89Å; F665-S668 PolarHBondContact O-N 3.11Å; F665-S668 PolarHBondContact O-OG 2.96Å; F665-S669 PolarHBondContact O-N 3.24Å
666	V	74	Confident	67.4	Low	0 Å²	0	65.8 Å²	65.8	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-62.3	-42.1	176.1	-173.8	0	0	0	0	111.4	V626 T630 S635 A638 Q639 I642 M662 G663 S669 Q670	V626-V666 HydrophobicContact CG1-CG2 4.14Å; T630-V666 HydrophobicContact CG2-CB 4.46Å; T630-V666 HydrophobicContact CG2-CG2 4.13Å; T630-V666 VanDerWaalsContact OG1-CG2 3.32Å; T630-V666 WeakPolarHBondContact OG1-CG2 3.39Å; S635-V666 WeakPolarHBondContact O-CG1 3.28Å; A638-V666 HydrophobicContact CB-CG1 4.09Å; A638-V666 HydrophobicContact CB-CG2 4.32Å; Q639-V666 HydrophobicContact CG-CG1 3.92Å; I642-V666 HydrophobicContact CD1-CB 4.41Å; I642-V666 HydrophobicContact CD1-CG2 3.71Å; M662-V666 WeakPolarHBondContact O-CG2 3.28Å; M662-V666 PolarHBondContact O-N 2.85Å; G663-V666 PolarHBondContact O-N 3.11Å; V666-S669 PolarHBondContact O-N 2.91Å; V666-S669 PolarHBondContact O-OG 2.99Å; V666-Q670 PolarHBondContact O-N 3.23Å
667	E	72.1	Confident	66	Low	104 Å²	104	68 Å²	68	49%	0.486	35%	0.353	S	S	.	.	H	α-helix	trans	-63.2	-42.7	174.9	-75.5	173.9	-175.6	0	0	112.1	G663 L664 F665 S669 Q670 T671	G663-E667 WeakPolarHBondContact O-CB 3.26Å; G663-E667 WeakPolarHBondContact O-CG 3.36Å; G663-E667 PolarHBondContact O-N 2.83Å; L664-E667 PolarHBondContact O-N 3.11Å; F665-E667 PolarHBondContact O-N 2.89Å; E667-S669 VanDerWaalsContact C-N 3.3Å; E667-S669 PolarHBondContact O-N 2.87Å; E667-Q670 WeakPolarHBondContact O-CB 3.28Å; E667-Q670 PolarHBondContact O-N 2.86Å; E667-Q670 VanDerWaalsContact O-N 3.15Å; E667-T671 PolarHBondContact O-N 3.47Å; E667-T671 PolarHBondContact O-OG1 3.3Å
668	S	69.5	Low	64.3	Low	54 Å²	54	71.2 Å²	71.2	38%	0.378	36%	0.363	S	S	.	.	H	α-helix	trans	-63.5	-37.3	176.7	75.9	0	0	0	0	111.9	L664 F665 T671 T672	L664-S668 VanDerWaalsContact O-CB 3.3Å; L664-S668 WeakPolarHBondContact O-CB 3.33Å; L664-S668 PolarHBondContact O-N 2.84Å; L664-S668 PolarHBondContact O-OG 3.11Å; F665-S668 PolarHBondContact O-N 3.11Å; F665-S668 PolarHBondContact O-OG 2.96Å; S668-T671 VanDerWaalsContact CA-OG1 3.31Å; S668-T671 WeakPolarHBondContact CA-OG1 3.35Å; S668-T671 PolarHBondContact O-N 3.04Å; S668-T671 PolarHBondContact O-OG1 3.05Å; S668-T672 PolarHBondContact O-N 3.08Å; S668-T672 PolarHBondContact O-OG1 2.81Å
669	S	61.3	Low	62.6	Low	17 Å²	17	73.1 Å²	73.1	12%	0.119	37%	0.374	C	S	.	.	H	α-helix	trans	-68	-34.8	174.5	78.6	0	0	0	0	112	T630 F665 V666 E667 T672 V673	T630-S669 VanDerWaalsContact CG2-OG 3.25Å; T630-S669 WeakPolarHBondContact CG2-OG 3.41Å; F665-S669 PolarHBondContact O-N 3.24Å; V666-S669 PolarHBondContact O-N 2.91Å; V666-S669 PolarHBondContact O-OG 2.99Å; E667-S669 VanDerWaalsContact C-N 3.3Å; E667-S669 PolarHBondContact O-N 2.87Å; S669-T672 WeakPolarHBondContact CA-OG1 3.27Å; S669-T672 PolarHBondContact O-OG1 2.87Å; S669-V673 WeakPolarHBondContact O-CB 3.37Å; S669-V673 WeakPolarHBondContact O-CG2 3.43Å; S669-V673 PolarHBondContact O-N 3.42Å
670	Q	61.5	Low	60.9	Low	40 Å²	40	76 Å²	76	19%	0.187	39%	0.391	C	S	.	.	H	α-helix	trans	-65.5	-40.4	171.2	-87.6	-178.9	-3.9	0	0	111.7	S635 Q639 V666 E667 V673 K674	S635-Q670 VanDerWaalsContact CB-CG 3.48Å; S635-Q670 WeakPolarHBondContact OG-CG 3.19Å; S635-Q670 PolarHBondContact OG-NE2 2.9Å; Q639-Q670 VanDerWaalsContact NE2-OE1 3.11Å; V666-Q670 PolarHBondContact O-N 3.23Å; E667-Q670 WeakPolarHBondContact O-CB 3.28Å; E667-Q670 PolarHBondContact O-N 2.86Å; E667-Q670 VanDerWaalsContact O-N 3.15Å; Q670-V673 PolarHBondContact O-N 2.95Å; Q670-K674 WeakPolarHBondContact O-CB 3.42Å; Q670-K674 VanDerWaalsContact O-CG 3.29Å; Q670-K674 WeakPolarHBondContact O-CG 3.37Å; Q670-K674 PolarHBondContact O-N 2.86Å
671	T	60.2	Low	59.1	Low	77 Å²	77	78 Å²	78	47%	0.472	40%	0.403	S	S	.	.	H	α-helix	trans	-67.1	-43.9	176.9	47.6	0	0	0	0	111.6	E667 S668 V673 K674 D675	E667-T671 PolarHBondContact O-N 3.47Å; E667-T671 PolarHBondContact O-OG1 3.3Å; S668-T671 VanDerWaalsContact CA-OG1 3.31Å; S668-T671 WeakPolarHBondContact CA-OG1 3.35Å; S668-T671 PolarHBondContact O-N 3.04Å; S668-T671 PolarHBondContact O-OG1 3.05Å; T671-V673 VanDerWaalsContact C-N 3.35Å; T671-V673 PolarHBondContact O-N 2.85Å; T671-K674 PolarHBondContact O-N 3.18Å; T671-D675 WeakPolarHBondContact O-CB 3.28Å; T671-D675 VanDerWaalsContact O-CG 3.32Å; T671-D675 PolarHBondContact O-N 2.89Å
672	T	56.1	Low	56.9	Low	82 Å²	82	77.7 Å²	77.7	50%	0.503	41%	0.406	S	S	.	.	H	α-helix	trans	-65.4	-38	174.9	37	0	0	0	0	111.5	S668 S669 K674 D675 S676	S668-T672 PolarHBondContact O-N 3.08Å; S668-T672 PolarHBondContact O-OG1 2.81Å; S669-T672 WeakPolarHBondContact CA-OG1 3.27Å; S669-T672 PolarHBondContact O-OG1 2.87Å; T672-K674 VanDerWaalsContact C-N 3.35Å; T672-K674 PolarHBondContact O-N 3.02Å; T672-D675 PolarHBondContact O-N 2.65Å; T672-S676 WeakPolarHBondContact O-CA 3.45Å; T672-S676 WeakPolarHBondContact O-CB 3.34Å; T672-S676 PolarHBondContact O-N 2.91Å; T672-S676 PolarHBondContact O-OG 3.45Å
673	V	52.7	Low	54.9	Low	27 Å²	27	84.7 Å²	84.7	16%	0.164	44%	0.439	C	S	.	.	H	α-helix	trans	-65.1	-38.7	173.4	172.9	0	0	0	0	111.5	S669 Q670 T671 S676 Q677	S669-V673 WeakPolarHBondContact O-CB 3.37Å; S669-V673 WeakPolarHBondContact O-CG2 3.43Å; S669-V673 PolarHBondContact O-N 3.42Å; Q670-V673 PolarHBondContact O-N 2.95Å; T671-V673 VanDerWaalsContact C-N 3.35Å; T671-V673 PolarHBondContact O-N 2.85Å; V673-S676 PolarHBondContact O-N 2.81Å; V673-Q677 WeakPolarHBondContact O-CB 3.25Å; V673-Q677 WeakPolarHBondContact O-CG 3.47Å; V673-Q677 PolarHBondContact O-N 3.33Å
674	K	51.2	Low	53	Low	122 Å²	122	91.7 Å²	91.7	53%	0.53	47%	0.472	S	S	.	.	H	α-helix	trans	-68.8	-41.3	175.8	-77.6	177	179.5	176.4	0	112.4	Q670 T671 T672 S676 Q677 N678	Q670-K674 WeakPolarHBondContact O-CB 3.42Å; Q670-K674 VanDerWaalsContact O-CG 3.29Å; Q670-K674 WeakPolarHBondContact O-CG 3.37Å; Q670-K674 PolarHBondContact O-N 2.86Å; T671-K674 PolarHBondContact O-N 3.18Å; T672-K674 VanDerWaalsContact C-N 3.35Å; T672-K674 PolarHBondContact O-N 3.02Å; K674-S676 VanDerWaalsContact C-N 3.35Å; K674-Q677 WeakPolarHBondContact O-CB 3.42Å; K674-Q677 PolarHBondContact O-N 2.72Å; K674-N678 PolarHBondContact O-N 2.8Å
675	D	46.7	Very low	51	Low	90 Å²	90	91.8 Å²	91.8	48%	0.481	47%	0.472	S	S	.	.	H	α-helix	trans	-68.6	-37.9	175.8	-70.2	-20.9	0	0	0	110.4	T671 T672 Q677 N678 F679	T671-D675 WeakPolarHBondContact O-CB 3.28Å; T671-D675 VanDerWaalsContact O-CG 3.32Å; T671-D675 PolarHBondContact O-N 2.89Å; T672-D675 PolarHBondContact O-N 2.65Å; D675-Q677 VanDerWaalsContact C-N 3.28Å; D675-Q677 PolarHBondContact O-N 3.17Å; D675-N678 CarbonylContact O-C 3.56Å; D675-N678 PolarHBondContact O-N 2.71Å; D675-N678 VanDerWaalsContact O-N 3.11Å; D675-F679 WeakPolarHBondContact O-CB 3.49Å; D675-F679 WeakPolarHBondContact O-CD2 3.38Å; D675-F679 PolarHBondContact O-N 2.78Å
676	S	46.2	Very low	49.1	Very low	52 Å²	52	91.6 Å²	91.6	36%	0.364	48%	0.479	S	S	.	.	H	α-helix	trans	-66	-30.6	172.2	-54.7	0	0	0	0	112.2	T672 V673 K674 V680	T672-S676 WeakPolarHBondContact O-CA 3.45Å; T672-S676 WeakPolarHBondContact O-CB 3.34Å; T672-S676 PolarHBondContact O-N 2.91Å; T672-S676 PolarHBondContact O-OG 3.45Å; V673-S676 PolarHBondContact O-N 2.81Å; K674-S676 VanDerWaalsContact C-N 3.35Å; S676-V680 WeakPolarHBondContact O-CG2 3.48Å
677	Q	43.2	Very low	47.6	Very low	94 Å²	94	95.1 Å²	95.1	44%	0.439	51%	0.508	S	S	.	.	H	α-helix	trans	-72.6	-32.2	172	-78.5	174.7	3.6	0	0	111.8	V673 K674 D675	V673-Q677 WeakPolarHBondContact O-CB 3.25Å; V673-Q677 WeakPolarHBondContact O-CG 3.47Å; V673-Q677 PolarHBondContact O-N 3.33Å; K674-Q677 WeakPolarHBondContact O-CB 3.42Å; K674-Q677 PolarHBondContact O-N 2.72Å; D675-Q677 VanDerWaalsContact C-N 3.28Å; D675-Q677 PolarHBondContact O-N 3.17Å
678	N	41.4	Very low	46.4	Very low	124 Å²	124	95 Å²	95	66%	0.663	52%	0.519	S	S	*	.	H	α-helix	trans	-78.7	-27.3	175	-70.3	-20.2	0	0	0	113.1	K674 D675 V680	K674-N678 PolarHBondContact O-N 2.8Å; D675-N678 CarbonylContact O-C 3.56Å; D675-N678 PolarHBondContact O-N 2.71Å; D675-N678 VanDerWaalsContact O-N 3.11Å; N678-V680 PolarHBondContact O-N 2.72Å
679	F	38.3	Very low	45.4	Very low	149 Å²	149	97.5 Å²	97.5	65%	0.654	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-2.9	177.8	-107.8	-85.6	0	0	0	114.6	D675 L685	D675-F679 WeakPolarHBondContact O-CB 3.49Å; D675-F679 WeakPolarHBondContact O-CD2 3.38Å; D675-F679 PolarHBondContact O-N 2.78Å; F679-L685 HydrophobicContact CD1-CD1 4.37Å; F679-L685 HydrophobicContact CE1-CD1 4.19Å
680	V	42.3	Very low	45.2	Very low	62 Å²	62	101 Å²	101	38%	0.376	55%	0.546	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	6.2	-165.6	178.2	0	0	0	0	113.6	S676 N678	S676-V680 WeakPolarHBondContact O-CG2 3.48Å; N678-V680 PolarHBondContact O-N 2.72Å
681	Q	39.7	Very low	45.4	Very low	178 Å²	178	103.5 Å²	103.5	83%	0.832	56%	0.561	S	S	*	*	S	Bend	trans	-106	-19.1	179.8	-79.2	-176.9	-15.4	0	0	116.3
682	D	31.7	Very low	46	Very low	140 Å²	140	102.5 Å²	102.5	75%	0.749	55%	0.552	S	S	*	*	S	Bend	trans	-113.2	117.8	-177.5	-71.3	-29.9	0	0	0	112.4
683	E	34.5	Very low	46.8	Very low	170 Å²	170	102.2 Å²	102.2	79%	0.794	55%	0.551	S	S	*	*			trans	18.4	111.7	146.5	-65.8	-179.1	147.5	0	0	118.1	L685	E683-L685 PolarHBondContact O-N 2.81Å
684	I	35	Very low	47.7	Very low	159 Å²	159	105.7 Å²	105.7	82%	0.815	57%	0.565	S	S	*	*			trans	47	74.5	139.1	-45.4	167.6	0	0	0	114
685	L	34.8	Very low	48.8	Very low	103 Å²	103	100.7 Å²	100.7	54%	0.539	54%	0.544	S	S	.	.			trans	-68.6	133.6	155.8	-96.1	115	0	0	0	109.1	F679 E683 A687	F679-L685 HydrophobicContact CD1-CD1 4.37Å; F679-L685 HydrophobicContact CE1-CD1 4.19Å; E683-L685 PolarHBondContact O-N 2.81Å; L685-A687 PolarHBondContact O-N 3.37Å
686	P	38.4	Very low	50.4	Low	80 Å²	80	100 Å²	100	52%	0.519	54%	0.54	S	S	.	.			trans	-58.4	130.8	-175.2	-18.3	29.1	0	0	0	110.6	S688	P686-S688 PolarHBondContact O-N 2.82Å
687	A	43.4	Very low	51.6	Low	73 Å²	73	102 Å²	102	60%	0.603	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-0	-179.6	0	0	0	0	0	114.4	L685 R721	L685-A687 PolarHBondContact O-N 3.37Å; A687-R721 PolarHBondContact O-NH1 2.72Å
688	S	45.9	Very low	53	Low	102 Å²	102	100.2 Å²	100.2	71%	0.713	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-2.9	-172.2	53.8	0	0	0	0	116	P686	P686-S688 PolarHBondContact O-N 2.82Å
689	T	48.3	Very low	54.8	Low	106 Å²	106	95 Å²	95	65%	0.65	51%	0.514	S	S	*	.	S	Bend	trans	-123.5	-2.4	-167.5	46.5	0	0	0	0	117.3
690	Q	57.6	Low	56.6	Low	90 Å²	90	92.7 Å²	92.7	42%	0.421	51%	0.505	S	S	.	.	S	Bend	trans	-106.4	137	176.7	-76.4	-177.4	-14.8	0	0	112.1	I695 R721	Q690-I695 HydrophobicContact CB-CD1 4.41Å; Q690-I695 HydrophobicContact CB-CG1 4.32Å; Q690-R721 PolarHBondContact O-NH2 2.86Å
691	D	66.7	Low	58	Low	93 Å²	93	91.9 Å²	91.9	50%	0.497	50%	0.498	S	S	.	.			trans	-64.2	137.3	173.2	-175.5	19.8	0	0	0	110.1	T693 Q694 I695	D691-T693 PolarHBondContact O-N 3.12Å; D691-T693 VanDerWaalsContact O-N 3.14Å; D691-T693 PolarHBondContact OD1-OG1 2.95Å; D691-T693 PolarHBondContact OD2-OG1 3.15Å; D691-Q694 HydrophobicContact CB-CG 4.36Å; D691-Q694 PolarHBondContact O-N 3.45Å; D691-I695 PolarHBondContact O-N 3.28Å
692	L	72.9	Confident	59.7	Low	56 Å²	56	84.3 Å²	84.3	29%	0.293	46%	0.463	S	S	.	.	H	α-helix	trans	-57.2	-32	-177.6	-77.2	165.2	0	0	0	111.5	Q694 I695 L696 M718 V724	L692-Q694 PolarHBondContact O-N 3.46Å; L692-I695 PolarHBondContact O-N 3.04Å; L692-L696 WeakPolarHBondContact O-CG 3.4Å; L692-L696 PolarHBondContact O-N 3.27Å; L692-M718 HydrophobicContact CD2-CG 4.1Å; L692-M718 HydrophobicContact CD2-SD 4.23Å; L692-V724 HydrophobicContact CD1-CG2 4.42Å; L692-V724 HydrophobicContact CD2-CG2 3.76Å
693	T	72.3	Confident	61.9	Low	76 Å²	76	83.2 Å²	83.2	47%	0.466	45%	0.449	S	S	.	.	H	α-helix	trans	-59	-45.4	176.2	-18.8	0	0	0	0	111.8	D691 I695 L696 D697	D691-T693 PolarHBondContact O-N 3.12Å; D691-T693 VanDerWaalsContact O-N 3.14Å; D691-T693 PolarHBondContact OD1-OG1 2.95Å; D691-T693 PolarHBondContact OD2-OG1 3.15Å; T693-I695 PolarHBondContact O-N 2.91Å; T693-L696 PolarHBondContact O-N 2.72Å; T693-D697 VanDerWaalsContact O-CG 3.32Å; T693-D697 PolarHBondContact O-N 3.31Å
694	Q	70.9	Confident	63.6	Low	101 Å²	101	78.8 Å²	78.8	47%	0.472	43%	0.427	S	S	.	.	H	α-helix	trans	-66.1	-39	178.9	-64.4	177.5	7.3	0	0	111.5	D691 L692 L696 D697 V698	D691-Q694 HydrophobicContact CB-CG 4.36Å; D691-Q694 PolarHBondContact O-N 3.45Å; L692-Q694 PolarHBondContact O-N 3.46Å; Q694-L696 VanDerWaalsContact C-N 3.33Å; Q694-L696 PolarHBondContact O-N 3.49Å; Q694-D697 PolarHBondContact O-N 3.3Å; Q694-V698 VanDerWaalsContact O-CG2 3.3Å; Q694-V698 WeakPolarHBondContact O-CG2 3.35Å; Q694-V698 PolarHBondContact O-N 3.33Å
695	I	75.1	Confident	65.3	Low	16 Å²	16	74 Å²	74	8%	0.082	40%	0.402	C	S	.	.	H	α-helix	trans	-63.2	-42.7	176.9	-62	174.6	0	0	0	110.1	Q690 D691 L692 T693 V698 I699 M714 M718	Q690-I695 HydrophobicContact CB-CD1 4.41Å; Q690-I695 HydrophobicContact CB-CG1 4.32Å; D691-I695 PolarHBondContact O-N 3.28Å; L692-I695 PolarHBondContact O-N 3.04Å; T693-I695 PolarHBondContact O-N 2.91Å; I695-V698 PolarHBondContact O-N 3.49Å; I695-I699 HydrophobicContact CG2-CD1 3.86Å; I695-I699 HydrophobicContact CG2-CG1 4.48Å; I695-I699 VanDerWaalsContact O-CG1 3.23Å; I695-I699 WeakPolarHBondContact O-CG1 3.3Å; I695-I699 PolarHBondContact O-N 2.77Å; I695-M714 HydrophobicContact CG2-CE 4.12Å; I695-M718 HydrophobicContact CG2-SD 4.18Å
696	L	79.3	Confident	67.2	Low	76 Å²	76	75.9 Å²	75.9	40%	0.398	41%	0.407	S	S	.	.	H	α-helix	trans	-64.5	-40.4	177	-71.9	170.9	0	0	0	112.2	L692 T693 Q694 V698 I699 Q700 M718	L692-L696 WeakPolarHBondContact O-CG 3.4Å; L692-L696 PolarHBondContact O-N 3.27Å; T693-L696 PolarHBondContact O-N 2.72Å; Q694-L696 VanDerWaalsContact C-N 3.33Å; Q694-L696 PolarHBondContact O-N 3.49Å; L696-V698 VanDerWaalsContact C-N 3.33Å; L696-V698 PolarHBondContact O-N 2.78Å; L696-I699 PolarHBondContact O-N 3.09Å; L696-Q700 WeakPolarHBondContact O-CG 3.48Å; L696-Q700 PolarHBondContact O-N 3.19Å; L696-M718 HydrophobicContact CD2-CE 4.07Å; L696-M718 HydrophobicContact CD2-SD 4.15Å
697	D	71.7	Confident	69	Low	94 Å²	94	76.5 Å²	76.5	50%	0.503	40%	0.398	S	S	.	.	H	α-helix	trans	-61.8	-42.3	175.8	-69.8	-21.8	0	0	0	111.3	T693 Q694 Q700 L701	T693-D697 VanDerWaalsContact O-CG 3.32Å; T693-D697 PolarHBondContact O-N 3.31Å; Q694-D697 PolarHBondContact O-N 3.3Å; D697-Q700 PolarHBondContact O-N 3.42Å; D697-L701 WeakPolarHBondContact O-CB 3.38Å; D697-L701 PolarHBondContact O-N 3.2Å
698	V	73.8	Confident	70.9	Confident	57 Å²	57	73.3 Å²	73.3	35%	0.345	37%	0.371	S	S	.	.	H	α-helix	trans	-67	-39.9	175.9	176.6	0	0	0	0	111.4	Q694 I695 L696 Q700 L701 H702 M714	Q694-V698 VanDerWaalsContact O-CG2 3.3Å; Q694-V698 WeakPolarHBondContact O-CG2 3.35Å; Q694-V698 PolarHBondContact O-N 3.33Å; I695-V698 PolarHBondContact O-N 3.49Å; L696-V698 VanDerWaalsContact C-N 3.33Å; L696-V698 PolarHBondContact O-N 2.78Å; V698-Q700 VanDerWaalsContact C-N 3.34Å; V698-Q700 PolarHBondContact O-N 3.08Å; V698-L701 WeakPolarHBondContact O-CB 3.44Å; V698-L701 PolarHBondContact O-N 3.07Å; V698-H702 PolarHBondContact O-CD2 3.34Å; V698-H702 PolarHBondContact O-N 2.95Å; V698-M714 HydrophobicContact CB-CE 4.07Å; V698-M714 HydrophobicContact CG1-CE 3.67Å; V698-M714 HydrophobicContact CG1-SD 3.9Å
699	I	78.3	Confident	72.5	Confident	13 Å²	13	70 Å²	70	7%	0.067	35%	0.346	C	S	.	.	H	α-helix	trans	-61.5	-43.6	173.9	-70.2	165.9	0	0	0	110.6	I695 L696 L701 H702 R703 A711 M714 L715 M718	I695-I699 HydrophobicContact CG2-CD1 3.86Å; I695-I699 HydrophobicContact CG2-CG1 4.48Å; I695-I699 VanDerWaalsContact O-CG1 3.23Å; I695-I699 WeakPolarHBondContact O-CG1 3.3Å; I695-I699 PolarHBondContact O-N 2.77Å; L696-I699 PolarHBondContact O-N 3.09Å; I699-L701 VanDerWaalsContact C-N 3.34Å; I699-H702 PolarHBondContact O-N 3.48Å; I699-R703 WeakPolarHBondContact O-CB 3.31Å; I699-R703 PolarHBondContact O-N 3.43Å; I699-A711 HydrophobicContact CG2-CB 4.2Å; I699-M714 HydrophobicContact CD1-CB 3.91Å; I699-M714 HydrophobicContact CG1-CB 3.6Å; I699-M714 HydrophobicContact CG1-CE 4.03Å; I699-M714 HydrophobicContact CG1-CG 4.45Å; I699-M714 HydrophobicContact CG1-SD 4.06Å; I699-L715 HydrophobicContact CD1-CD2 3.87Å; I699-L715 HydrophobicContact CD1-CG 4.08Å; I699-L715 HydrophobicContact CG2-CD2 4.34Å; I699-L715 HydrophobicContact CG2-CG 4.15Å; I699-M718 HydrophobicContact CD1-SD 4.39Å
700	Q	75.6	Confident	74	Confident	101 Å²	101	67.8 Å²	67.8	47%	0.472	33%	0.328	S	S	.	.	H	α-helix	trans	-62.5	-42	175.1	-75.4	-170.5	11.2	0	0	111.4	L696 D697 V698 R703 K704	L696-Q700 WeakPolarHBondContact O-CG 3.48Å; L696-Q700 PolarHBondContact O-N 3.19Å; D697-Q700 PolarHBondContact O-N 3.42Å; V698-Q700 VanDerWaalsContact C-N 3.34Å; V698-Q700 PolarHBondContact O-N 3.08Å; Q700-R703 PolarHBondContact O-N 3.31Å; Q700-K704 WeakPolarHBondContact O-CB 3.13Å; Q700-K704 VanDerWaalsContact O-CG 3.27Å; Q700-K704 WeakPolarHBondContact O-CG 3.41Å; Q700-K704 PolarHBondContact O-N 2.99Å
701	L	72.4	Confident	75.2	Confident	45 Å²	45	63.5 Å²	63.5	24%	0.236	31%	0.308	C	S	.	.	H	α-helix	trans	-60.6	-45.4	175.6	-169.9	76.5	0	0	0	111.4	D697 V698 I699 R703 K704 N705	D697-L701 WeakPolarHBondContact O-CB 3.38Å; D697-L701 PolarHBondContact O-N 3.2Å; V698-L701 WeakPolarHBondContact O-CB 3.44Å; V698-L701 PolarHBondContact O-N 3.07Å; I699-L701 VanDerWaalsContact C-N 3.34Å; L701-R703 PolarHBondContact O-N 3.06Å; L701-K704 PolarHBondContact O-N 2.91Å; L701-N705 VanDerWaalsContact O-CB 3.27Å; L701-N705 WeakPolarHBondContact O-CB 3.33Å; L701-N705 PolarHBondContact O-N 2.8Å; L701-N705 PolarHBondContact O-ND2 3.08Å
702	H	74.4	Confident	76.2	Confident	19 Å²	19	59.1 Å²	59.1	9%	0.088	28%	0.284	C	S	.	.	H	α-helix	trans	-63.5	-40	175.5	-79.9	-66.8	0	0	0	112.4	V698 I699 N705 K706 R707 A711	V698-H702 PolarHBondContact O-CD2 3.34Å; V698-H702 PolarHBondContact O-N 2.95Å; I699-H702 PolarHBondContact O-N 3.48Å; H702-N705 CarbonylContact O-C 3.57Å; H702-N705 PolarHBondContact O-N 2.88Å; H702-K706 PolarHBondContact O-N 3.27Å; H702-R707 HydrophobicContact CB-CB 4.44Å; H702-R707 CarbonylContact O-C 3.52Å; H702-R707 PolarHBondContact O-N 2.98Å; H702-A711 HydrophobicContact CB-CB 3.9Å
703	R	77.6	Confident	76.8	Confident	118 Å²	118	57.8 Å²	57.8	45%	0.445	28%	0.276	S	S	.	.	H	α-helix	trans	-62	-49.2	174.9	-166.6	-171.6	99.4	179.1	4.2	111.1	E604 I699 Q700 L701 N705 K706 L708 L742	E604-R703 IonicContact OE1-NH2 3.37Å; E604-R703 PolarHBondContact OE1-NH2 3.19Å; E604-R703 IonicContact OE2-NH2 3.62Å; I699-R703 WeakPolarHBondContact O-CB 3.31Å; I699-R703 PolarHBondContact O-N 3.43Å; Q700-R703 PolarHBondContact O-N 3.31Å; L701-R703 PolarHBondContact O-N 3.06Å; R703-N705 VanDerWaalsContact C-N 3.34Å; R703-N705 PolarHBondContact O-N 3.35Å; R703-K706 PolarHBondContact O-N 3.34Å; R703-K706 VanDerWaalsContact O-N 3.09Å; R703-L708 HydrophobicContact CG-CD2 4.17Å; R703-L742 HydrophobicContact CG-CD2 3.98Å
704	K	71.2	Confident	77.3	Confident	77 Å²	77	56.1 Å²	56.1	34%	0.335	26%	0.264	S	S	.	.	H	α-helix	trans	-59.4	-43.4	177.4	-75.2	174.7	173.6	179.5	0	111.4	N631 Q700 L701 K706	N631-K704 PolarHBondContact O-NZ 3.37Å; N631-K704 VanDerWaalsContact O-NZ 3.11Å; Q700-K704 WeakPolarHBondContact O-CB 3.13Å; Q700-K704 VanDerWaalsContact O-CG 3.27Å; Q700-K704 WeakPolarHBondContact O-CG 3.41Å; Q700-K704 PolarHBondContact O-N 2.99Å; L701-K704 PolarHBondContact O-N 2.91Å; K704-K706 PolarHBondContact O-N 3.19Å
705	N	71.3	Confident	78.1	Confident	57 Å²	57	51.7 Å²	51.7	31%	0.305	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	14.5	175.9	-72.3	-26	0	0	0	114.5	L701 H702 R703 R707	L701-N705 VanDerWaalsContact O-CB 3.27Å; L701-N705 WeakPolarHBondContact O-CB 3.33Å; L701-N705 PolarHBondContact O-N 2.8Å; L701-N705 PolarHBondContact O-ND2 3.08Å; H702-N705 CarbonylContact O-C 3.57Å; H702-N705 PolarHBondContact O-N 2.88Å; R703-N705 VanDerWaalsContact C-N 3.34Å; R703-N705 PolarHBondContact O-N 3.35Å; N705-R707 PolarHBondContact O-N 2.94Å
706	K	73.5	Confident	78.8	Confident	144 Å²	144	52.2 Å²	52.2	63%	0.626	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.3	12.2	178.6	-60.9	-176.9	-179.3	175.2	0	115.2	H702 R703 K704 L708 R749	H702-K706 PolarHBondContact O-N 3.27Å; R703-K706 PolarHBondContact O-N 3.34Å; R703-K706 VanDerWaalsContact O-N 3.09Å; K704-K706 PolarHBondContact O-N 3.19Å; K706-L708 VanDerWaalsContact C-N 3.28Å; K706-L708 PolarHBondContact O-N 2.88Å; K706-L708 VanDerWaalsContact O-N 3.12Å; K706-R749 VanDerWaalsContact CB-NH1 3.33Å
707	R	77.3	Confident	79.1	Confident	93 Å²	93	54 Å²	54	35%	0.351	25%	0.251	S	S	.	.			trans	-87	66	174.2	-63.8	-174.5	-175.1	176.2	1.6	110.3	H702 N705 D709 H710 A711	H702-R707 HydrophobicContact CB-CB 4.44Å; H702-R707 CarbonylContact O-C 3.52Å; H702-R707 PolarHBondContact O-N 2.98Å; N705-R707 PolarHBondContact O-N 2.94Å; R707-D709 VanDerWaalsContact C-N 3.32Å; R707-D709 PolarHBondContact O-N 3.38Å; R707-H710 HydrophobicContact CB-CB 4.38Å; R707-H710 PolarHBondContact O-N 2.91Å; R707-A711 PolarHBondContact O-N 3.46Å
708	L	83.6	Confident	79.8	Confident	6 Å²	6	50.2 Å²	50.2	3%	0.031	23%	0.23	C	C	.	.	H	α-helix	trans	-66	-32.9	-171.4	-58.6	178.1	0	0	0	113.1	R703 K706 A712 L742 M745 H746	R703-L708 HydrophobicContact CG-CD2 4.17Å; K706-L708 VanDerWaalsContact C-N 3.28Å; K706-L708 PolarHBondContact O-N 2.88Å; K706-L708 VanDerWaalsContact O-N 3.12Å; L708-A712 WeakPolarHBondContact O-CB 3.09Å; L708-A712 PolarHBondContact O-N 2.83Å; L708-L742 HydrophobicContact CD2-CD2 4.03Å; L708-M745 HydrophobicContact CD1-CB 3.91Å; L708-H746 HydrophobicContact CB-CB 4.04Å; L708-H746 HydrophobicContact CD1-CB 4.33Å
709	D	79.6	Confident	80.4	Confident	33 Å²	33	47.6 Å²	47.6	18%	0.176	22%	0.215	C	C	.	.	H	α-helix	trans	-67.2	-43.4	178.5	67.8	-49.9	0	0	0	111.9	R707 A712 K713 Y785	R707-D709 VanDerWaalsContact C-N 3.32Å; R707-D709 PolarHBondContact O-N 3.38Å; D709-A712 PolarHBondContact O-N 2.86Å; D709-K713 WeakPolarHBondContact O-CG 3.33Å; D709-K713 PolarHBondContact O-N 2.89Å; D709-K713 IonicContact OD2-NZ 3.58Å; D709-Y785 PolarHBondContact O-OH 3.03Å
710	H	78.5	Confident	80.7	Confident	59 Å²	59	53.9 Å²	53.9	27%	0.273	24%	0.242	S	C	.	.	H	α-helix	trans	-64.7	-45.6	174.6	-77.9	-89.5	0	0	0	111.6	R707 A712 K713 M714	R707-H710 HydrophobicContact CB-CB 4.38Å; R707-H710 PolarHBondContact O-N 2.91Å; H710-A712 VanDerWaalsContact C-N 3.29Å; H710-A712 PolarHBondContact O-N 2.89Å; H710-K713 PolarHBondContact O-N 2.81Å; H710-M714 WeakPolarHBondContact O-CG 3.49Å; H710-M714 PolarHBondContact O-N 3.3Å
711	A	82.8	Confident	81.1	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-58.6	-42	175.4	0	0	0	0	0	111.7	I699 H702 R707 M714 L715 L742	I699-A711 HydrophobicContact CG2-CB 4.2Å; H702-A711 HydrophobicContact CB-CB 3.9Å; R707-A711 PolarHBondContact O-N 3.46Å; A711-M714 PolarHBondContact O-N 3.39Å; A711-L715 WeakPolarHBondContact O-CG 3.42Å; A711-L715 PolarHBondContact O-N 2.89Å; A711-L715 VanDerWaalsContact O-N 3.08Å; A711-L742 HydrophobicContact CB-CD1 3.76Å
712	A	87.6	Confident	81.5	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.6	-45	175.4	0	0	0	0	0	112.6	L708 D709 H710 M714 L715 F716 L742 V743	L708-A712 WeakPolarHBondContact O-CB 3.09Å; L708-A712 PolarHBondContact O-N 2.83Å; D709-A712 PolarHBondContact O-N 2.86Å; H710-A712 VanDerWaalsContact C-N 3.29Å; H710-A712 PolarHBondContact O-N 2.89Å; A712-M714 VanDerWaalsContact C-N 3.31Å; A712-M714 PolarHBondContact O-N 2.83Å; A712-L715 PolarHBondContact O-N 2.86Å; A712-F716 HydrophobicContact CB-CE2 4.25Å; A712-F716 WeakPolarHBondContact O-CD2 3.47Å; A712-F716 PolarHBondContact O-N 2.86Å; A712-L742 HydrophobicContact CB-CB 3.96Å; A712-L742 HydrophobicContact CB-CD1 4.5Å; A712-V743 HydrophobicContact CB-CG2 3.7Å
713	K	85.7	Confident	81.9	Confident	28 Å²	28	56.8 Å²	56.8	12%	0.122	26%	0.259	C	S	.	.	H	α-helix	trans	-57.7	-44.6	176.1	-76.3	170.3	-176.8	165.2	0	111.6	D709 H710 F716 Q717 F784	D709-K713 WeakPolarHBondContact O-CG 3.33Å; D709-K713 PolarHBondContact O-N 2.89Å; D709-K713 IonicContact OD2-NZ 3.58Å; H710-K713 PolarHBondContact O-N 2.81Å; K713-F716 PolarHBondContact O-N 2.82Å; K713-Q717 WeakPolarHBondContact O-CG 3.3Å; K713-Q717 PolarHBondContact O-N 2.86Å; K713-F784 HydrophobicContact CG-CD1 4.11Å; K713-F784 HydrophobicContact CG-CE1 4.25Å
714	M	83.4	Confident	82.1	Confident	42 Å²	42	51.4 Å²	51.4	21%	0.207	24%	0.239	C	C	.	.	H	α-helix	trans	-63	-41.2	177.5	-71.9	-174.3	74.4	0	0	112.3	I695 V698 I699 H710 A711 A712 Q717 M718	I695-M714 HydrophobicContact CG2-CE 4.12Å; V698-M714 HydrophobicContact CB-CE 4.07Å; V698-M714 HydrophobicContact CG1-CE 3.67Å; V698-M714 HydrophobicContact CG1-SD 3.9Å; I699-M714 HydrophobicContact CD1-CB 3.91Å; I699-M714 HydrophobicContact CG1-CB 3.6Å; I699-M714 HydrophobicContact CG1-CE 4.03Å; I699-M714 HydrophobicContact CG1-CG 4.45Å; I699-M714 HydrophobicContact CG1-SD 4.06Å; H710-M714 WeakPolarHBondContact O-CG 3.49Å; H710-M714 PolarHBondContact O-N 3.3Å; A711-M714 PolarHBondContact O-N 3.39Å; A712-M714 VanDerWaalsContact C-N 3.31Å; A712-M714 PolarHBondContact O-N 2.83Å; M714-Q717 PolarHBondContact O-N 2.91Å; M714-M718 WeakPolarHBondContact O-CB 3.2Å; M714-M718 PolarHBondContact O-N 2.87Å
715	L	87.3	Confident	82.7	Confident	8 Å²	8	52 Å²	52	4%	0.042	24%	0.243	C	C	.	.	H	α-helix	trans	-61.2	-45	173.9	-75.1	171.1	0	0	0	112.2	I699 A711 A712 Q717 M718 A719 I735 L738 L742	I699-L715 HydrophobicContact CD1-CD2 3.87Å; I699-L715 HydrophobicContact CD1-CG 4.08Å; I699-L715 HydrophobicContact CG2-CD2 4.34Å; I699-L715 HydrophobicContact CG2-CG 4.15Å; A711-L715 WeakPolarHBondContact O-CG 3.42Å; A711-L715 PolarHBondContact O-N 2.89Å; A711-L715 VanDerWaalsContact O-N 3.08Å; A712-L715 PolarHBondContact O-N 2.86Å; L715-Q717 VanDerWaalsContact C-N 3.32Å; L715-Q717 PolarHBondContact O-N 2.76Å; L715-M718 HydrophobicContact CD2-CE 3.82Å; L715-M718 WeakPolarHBondContact O-CB 3.34Å; L715-M718 PolarHBondContact O-N 2.97Å; L715-A719 PolarHBondContact O-N 3.03Å; L715-I735 HydrophobicContact CB-CG2 4.15Å; L715-I735 HydrophobicContact CD2-CG2 4.25Å; L715-I735 WeakPolarHBondContact O-CG2 3.39Å; L715-L738 HydrophobicContact CD1-CB 3.81Å; L715-L742 HydrophobicContact CD1-CD1 3.61Å
716	F	89.2	Confident	83.2	Confident	26 Å²	26	55.9 Å²	55.9	11%	0.114	26%	0.264	C	S	.	.	H	α-helix	trans	-67.8	-31.1	178	-65.8	-54.8	0	0	0	113	A712 K713 H736 G739 V743 Y785 P790	A712-F716 HydrophobicContact CB-CE2 4.25Å; A712-F716 WeakPolarHBondContact O-CD2 3.47Å; A712-F716 PolarHBondContact O-N 2.86Å; K713-F716 PolarHBondContact O-N 2.82Å; F716-H736 AromaticContact CD1-CD2 3.94Å; F716-G739 VanDerWaalsContact CZ-C 3.45Å; F716-V743 HydrophobicContact CE2-CG2 4.14Å; F716-Y785 HydrophobicContact CE2-CE1 4.32Å; F716-P790 HydrophobicContact CZ-CB 4.48Å
717	Q	86.3	Confident	83.6	Confident	114 Å²	114	52 Å²	52	53%	0.533	26%	0.259	S	S	.	.	H	α-helix	trans	-70.8	-39.9	171.4	-74.3	174.7	-13	0	0	111.6	K713 M714 L715 A719 K720	K713-Q717 WeakPolarHBondContact O-CG 3.3Å; K713-Q717 PolarHBondContact O-N 2.86Å; M714-Q717 PolarHBondContact O-N 2.91Å; L715-Q717 VanDerWaalsContact C-N 3.32Å; L715-Q717 PolarHBondContact O-N 2.76Å; Q717-A719 VanDerWaalsContact C-N 3.27Å; Q717-A719 PolarHBondContact O-N 2.9Å; Q717-K720 WeakPolarHBondContact O-CB 3.42Å; Q717-K720 PolarHBondContact O-N 2.99Å
718	M	85.5	Confident	84	Confident	14 Å²	14	48.7 Å²	48.7	7%	0.069	25%	0.253	C	S	.	.	H	α-helix	trans	-60.4	-38	175.6	-171.2	175.1	77.3	0	0	111.4	L692 I695 L696 I699 M714 L715 K720 R721 V724 I735	L692-M718 HydrophobicContact CD2-CG 4.1Å; L692-M718 HydrophobicContact CD2-SD 4.23Å; I695-M718 HydrophobicContact CG2-SD 4.18Å; L696-M718 HydrophobicContact CD2-CE 4.07Å; L696-M718 HydrophobicContact CD2-SD 4.15Å; I699-M718 HydrophobicContact CD1-SD 4.39Å; M714-M718 WeakPolarHBondContact O-CB 3.2Å; M714-M718 PolarHBondContact O-N 2.87Å; L715-M718 HydrophobicContact CD2-CE 3.82Å; L715-M718 WeakPolarHBondContact O-CB 3.34Å; L715-M718 PolarHBondContact O-N 2.97Å; M718-K720 PolarHBondContact O-N 2.58Å; M718-R721 PolarHBondContact O-N 3.38Å; M718-V724 HydrophobicContact CG-CG2 4.07Å; M718-V724 WeakPolarHBondContact O-CB 3.42Å; M718-V724 WeakPolarHBondContact O-CG2 3.48Å; M718-I735 HydrophobicContact CE-CD1 3.68Å; M718-I735 HydrophobicContact CE-CG1 3.81Å; M718-I735 HydrophobicContact CE-CG2 4.07Å
719	A	86.6	Confident	84.3	Confident	3 Å²	3	50.7 Å²	50.7	3%	0.025	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-15.4	174.7	0	0	0	0	0	114.7	L715 Q717 Q725 L732 I735	L715-A719 PolarHBondContact O-N 3.03Å; Q717-A719 VanDerWaalsContact C-N 3.27Å; Q717-A719 PolarHBondContact O-N 2.9Å; A719-Q725 WeakPolarHBondContact O-CG 3.22Å; A719-L732 HydrophobicContact CB-CD2 4.36Å; A719-I735 HydrophobicContact CB-CG2 3.92Å
720	K	85.9	Confident	84.8	Confident	144 Å²	144	53.3 Å²	53.3	63%	0.626	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-5.7	177.1	-66	-179	179.2	-176	0	113.7	Q717 M718	Q717-K720 WeakPolarHBondContact O-CB 3.42Å; Q717-K720 PolarHBondContact O-N 2.99Å; M718-K720 PolarHBondContact O-N 2.58Å
721	R	84.3	Confident	85.4	Confident	37 Å²	37	54 Å²	54	14%	0.14	29%	0.286	C	S	.	.	S	Bend	trans	-77.4	140.5	-179.6	-58.6	168.4	55.8	96.5	-2.8	110.6	A687 Q690 M718 D723 V724 Q725	A687-R721 PolarHBondContact O-NH1 2.72Å; Q690-R721 PolarHBondContact O-NH2 2.86Å; M718-R721 PolarHBondContact O-N 3.38Å; R721-D723 VanDerWaalsContact C-N 3.29Å; R721-D723 WeakPolarHBondContact CB-OD1 3.38Å; R721-D723 IonicContact CZ-OD1 3.65Å; R721-D723 IonicContact CZ-OD2 3.31Å; R721-D723 IonicContact NE-OD1 2.89Å; R721-D723 PolarHBondContact NE-OD1 2.84Å; R721-D723 IonicContact NE-OD2 3.24Å; R721-D723 PolarHBondContact NE-OD2 3.18Å; R721-D723 IonicContact NH2-OD1 3.61Å; R721-D723 IonicContact NH2-OD2 2.72Å; R721-D723 PolarHBondContact NH2-OD2 2.97Å; R721-D723 PolarHBondContact O-N 3.24Å; R721-V724 HydrophobicContact CB-CB 4.49Å; R721-V724 HydrophobicContact CB-CG2 4.32Å; R721-V724 PolarHBondContact O-N 2.89Å; R721-V724 VanDerWaalsContact O-N 3.12Å; R721-Q725 WeakPolarHBondContact O-CG 3.49Å; R721-Q725 PolarHBondContact O-N 2.85Å
722	D	80.9	Confident	85.8	Confident	120 Å²	120	54.3 Å²	54.3	64%	0.642	29%	0.287	S	S	*	.	H	α-helix	trans	-61.1	-36.2	-176.8	-61.2	-25.1	0	0	0	112.8	V724 Q725 N726	D722-V724 VanDerWaalsContact C-N 3.34Å; D722-V724 PolarHBondContact O-N 2.85Å; D722-Q725 PolarHBondContact O-N 2.75Å; D722-N726 WeakPolarHBondContact O-CB 3.14Å; D722-N726 VanDerWaalsContact O-CG 3.24Å; D722-N726 PolarHBondContact O-N 3.47Å; D722-N726 VanDerWaalsContact O-N 3.07Å; D722-N726 PolarHBondContact O-ND2 2.72Å
723	D	81	Confident	86.1	Confident	70 Å²	70	54.9 Å²	54.9	37%	0.374	29%	0.29	S	S	.	.	H	α-helix	trans	-61.1	-41.2	175.7	56.1	-8.5	0	0	0	112	R721 A727	R721-D723 VanDerWaalsContact C-N 3.29Å; R721-D723 WeakPolarHBondContact CB-OD1 3.38Å; R721-D723 IonicContact CZ-OD1 3.65Å; R721-D723 IonicContact CZ-OD2 3.31Å; R721-D723 IonicContact NE-OD1 2.89Å; R721-D723 PolarHBondContact NE-OD1 2.84Å; R721-D723 IonicContact NE-OD2 3.24Å; R721-D723 PolarHBondContact NE-OD2 3.18Å; R721-D723 IonicContact NH2-OD1 3.61Å; R721-D723 IonicContact NH2-OD2 2.72Å; R721-D723 PolarHBondContact NH2-OD2 2.97Å; R721-D723 PolarHBondContact O-N 3.24Å; D723-A727 PolarHBondContact O-N 2.9Å
724	V	82.9	Confident	86.4	Confident	5 Å²	5	58.1 Å²	58.1	3%	0.03	30%	0.302	C	S	.	.	H	α-helix	trans	-77.4	-37.3	178	179.6	0	0	0	0	111.9	L692 M718 R721 D722 N726 A727 L731 L732 I735	L692-V724 HydrophobicContact CD1-CG2 4.42Å; L692-V724 HydrophobicContact CD2-CG2 3.76Å; M718-V724 HydrophobicContact CG-CG2 4.07Å; M718-V724 WeakPolarHBondContact O-CB 3.42Å; M718-V724 WeakPolarHBondContact O-CG2 3.48Å; R721-V724 HydrophobicContact CB-CB 4.49Å; R721-V724 HydrophobicContact CB-CG2 4.32Å; R721-V724 PolarHBondContact O-N 2.89Å; R721-V724 VanDerWaalsContact O-N 3.12Å; D722-V724 VanDerWaalsContact C-N 3.34Å; D722-V724 PolarHBondContact O-N 2.85Å; V724-N726 VanDerWaalsContact C-N 3.28Å; V724-N726 PolarHBondContact O-N 2.85Å; V724-A727 WeakPolarHBondContact O-CB 3.4Å; V724-A727 PolarHBondContact O-N 2.73Å; V724-L731 HydrophobicContact CG1-CD2 4.31Å; V724-L732 HydrophobicContact CG1-CD2 3.93Å; V724-I735 HydrophobicContact CG1-CD1 3.33Å
725	Q	83.2	Confident	86.8	Confident	88 Å²	88	56.4 Å²	56.4	41%	0.411	29%	0.294	S	S	.	.	H	α-helix	trans	-63	-36.1	176.9	-73	-166.2	-5.6	0	0	112.1	A719 R721 D722 L732	A719-Q725 WeakPolarHBondContact O-CG 3.22Å; R721-Q725 WeakPolarHBondContact O-CG 3.49Å; R721-Q725 PolarHBondContact O-N 2.85Å; D722-Q725 PolarHBondContact O-N 2.75Å; Q725-L732 HydrophobicContact CG-CD2 4.37Å
726	N	81.3	Confident	87	Confident	139 Å²	139	57 Å²	57	74%	0.743	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-13	178.6	-68.3	-32	0	0	0	114.2	D722 V724 G728	D722-N726 WeakPolarHBondContact O-CB 3.14Å; D722-N726 VanDerWaalsContact O-CG 3.24Å; D722-N726 PolarHBondContact O-N 3.47Å; D722-N726 VanDerWaalsContact O-N 3.07Å; D722-N726 PolarHBondContact O-ND2 2.72Å; V724-N726 VanDerWaalsContact C-N 3.28Å; V724-N726 PolarHBondContact O-N 2.85Å; N726-G728 PolarHBondContact O-N 2.86Å
727	A	82.2	Confident	87.2	Confident	63 Å²	63	56 Å²	56	52%	0.521	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-11.6	-180	0	0	0	0	0	113.8	D723 V724 L731	D723-A727 PolarHBondContact O-N 2.9Å; V724-A727 WeakPolarHBondContact O-CB 3.4Å; V724-A727 PolarHBondContact O-N 2.73Å; A727-L731 HydrophobicContact CB-CD2 3.61Å
728	G	85.8	Confident	87.4	Confident	23 Å²	23	55 Å²	55	24%	0.237	29%	0.29	C	S	.	.			trans	112.3	159.6	172.3	0	0	0	0	0	114.8	N726 L730 L731 L732	N726-G728 PolarHBondContact O-N 2.86Å; G728-L730 VanDerWaalsContact C-N 3.27Å; G728-L730 PolarHBondContact O-N 3.49Å; G728-L731 PolarHBondContact O-N 2.91Å; G728-L732 PolarHBondContact O-N 3.13Å
729	P	89.8	Confident	87.7	Confident	49 Å²	49	54.4 Å²	54.4	32%	0.318	29%	0.287	S	S	.	.	H	α-helix	trans	-67	-24.8	-168.5	26.6	-35.9	0	0	0	113.7	K733 Y797 Y800 I801	P729-K733 WeakPolarHBondContact O-CB 3.48Å; P729-K733 PolarHBondContact O-N 2.85Å; P729-Y797 HydrophobicContact CB-CD1 3.93Å; P729-Y800 HydrophobicContact CB-CD1 4.04Å; P729-Y800 HydrophobicContact CB-CE1 4.26Å; P729-Y800 HydrophobicContact CG-CD1 4.4Å; P729-Y800 HydrophobicContact CG-CE1 4.32Å; P729-I801 HydrophobicContact CB-CD1 4.15Å; P729-I801 HydrophobicContact CB-CG1 4.05Å; P729-I801 HydrophobicContact CG-CD1 4.43Å; P729-I801 HydrophobicContact CG-CG1 4.12Å
730	L	91.5	Very high	87.9	Confident	87 Å²	87	54.2 Å²	54.2	46%	0.455	29%	0.286	S	S	.	.	H	α-helix	trans	-69.7	-42.7	180	-174.9	65.8	0	0	0	111.7	G728 K733 Y734 I801	G728-L730 VanDerWaalsContact C-N 3.27Å; G728-L730 PolarHBondContact O-N 3.49Å; L730-K733 WeakPolarHBondContact O-CB 3.23Å; L730-K733 PolarHBondContact O-N 3.12Å; L730-Y734 HydrophobicContact CD1-CD2 4.45Å; L730-Y734 HydrophobicContact CD1-CE2 3.79Å; L730-Y734 HydrophobicContact CD2-CE2 3.96Å; L730-Y734 HydrophobicContact CG-CD2 4.05Å; L730-Y734 HydrophobicContact CG-CE2 3.52Å; L730-Y734 WeakPolarHBondContact O-CD2 3.39Å; L730-Y734 PolarHBondContact O-N 2.83Å; L730-I801 HydrophobicContact CB-CD1 4.36Å; L730-I801 HydrophobicContact CD1-CD1 4.27Å
731	L	90.8	Very high	88.1	Confident	75 Å²	75	49.6 Å²	49.6	39%	0.393	27%	0.268	S	S	.	.	H	α-helix	trans	-64	-44.5	175.8	-179.4	63.6	0	0	0	110.6	V724 A727 G728 K733 Y734 I735	V724-L731 HydrophobicContact CG1-CD2 4.31Å; A727-L731 HydrophobicContact CB-CD2 3.61Å; G728-L731 PolarHBondContact O-N 2.91Å; L731-K733 VanDerWaalsContact C-N 3.31Å; L731-K733 PolarHBondContact O-N 3.1Å; L731-Y734 PolarHBondContact O-N 2.83Å; L731-I735 HydrophobicContact CD1-CD1 4.26Å; L731-I735 HydrophobicContact CD1-CG1 4.37Å; L731-I735 HydrophobicContact CD2-CD1 4.43Å; L731-I735 HydrophobicContact CG-CD1 3.9Å; L731-I735 HydrophobicContact CG-CG1 4.43Å; L731-I735 WeakPolarHBondContact O-CG1 3.13Å; L731-I735 PolarHBondContact O-N 3.18Å
732	L	91.6	Very high	88.2	Confident	6 Å²	6	48.5 Å²	48.5	3%	0.031	26%	0.264	C	S	.	.	H	α-helix	trans	-59.9	-40.9	176.7	-69.2	165.2	0	0	0	111.9	A719 V724 Q725 G728 H736 Y797	A719-L732 HydrophobicContact CB-CD2 4.36Å; V724-L732 HydrophobicContact CG1-CD2 3.93Å; Q725-L732 HydrophobicContact CG-CD2 4.37Å; G728-L732 PolarHBondContact O-N 3.13Å; L732-H736 PolarHBondContact O-N 3.13Å; L732-H736 VanDerWaalsContact O-N 3.11Å; L732-H736 PolarHBondContact O-ND1 2.78Å; L732-Y797 HydrophobicContact CB-CD1 4.14Å; L732-Y797 HydrophobicContact CB-CD2 3.85Å; L732-Y797 HydrophobicContact CB-CE1 3.95Å; L732-Y797 HydrophobicContact CB-CE2 3.66Å; L732-Y797 HydrophobicContact CB-CG 4.1Å; L732-Y797 HydrophobicContact CD1-CD1 4.39Å; L732-Y797 HydrophobicContact CD1-CE1 3.58Å; L732-Y797 HydrophobicContact CD1-CE2 4.39Å; L732-Y797 HydrophobicContact CG-CE1 4.39Å; L732-Y797 HydrophobicContact CG-CE2 4.49Å
733	K	92.9	Very high	88.5	Confident	11 Å²	11	43.1 Å²	43.1	5%	0.048	24%	0.236	C	C	.	.	H	α-helix	trans	-57.5	-49.7	171.2	-173	-162.8	174.4	-151.2	0	110.8	P729 L730 L731 I735 H736 V737 H798 P955 L956 H958	P729-K733 WeakPolarHBondContact O-CB 3.48Å; P729-K733 PolarHBondContact O-N 2.85Å; L730-K733 WeakPolarHBondContact O-CB 3.23Å; L730-K733 PolarHBondContact O-N 3.12Å; L731-K733 VanDerWaalsContact C-N 3.31Å; L731-K733 PolarHBondContact O-N 3.1Å; K733-I735 PolarHBondContact O-N 2.68Å; K733-H736 PolarHBondContact O-N 3.35Å; K733-V737 HydrophobicContact CG-CG2 4.36Å; K733-V737 VanDerWaalsContact O-CG2 3.28Å; K733-V737 WeakPolarHBondContact O-CG2 3.23Å; K733-V737 PolarHBondContact O-N 2.82Å; K733-H798 HydrophobicContact CD-CB 4.41Å; K733-P955 PolarHBondContact NZ-O 3Å; K733-L956 WeakPolarHBondContact CE-O 3.26Å; K733-H958 PolarHBondContact NZ-NE2 3Å
734	Y	92.9	Very high	88.6	Confident	96 Å²	96	41.4 Å²	41.4	38%	0.376	23%	0.225	S	C	.	.	H	α-helix	trans	-62	-43.7	-178.6	-73.2	-51.5	0	0	0	113.1	L730 L731 H736 V737 L738 H958	L730-Y734 HydrophobicContact CD1-CD2 4.45Å; L730-Y734 HydrophobicContact CD1-CE2 3.79Å; L730-Y734 HydrophobicContact CD2-CE2 3.96Å; L730-Y734 HydrophobicContact CG-CD2 4.05Å; L730-Y734 HydrophobicContact CG-CE2 3.52Å; L730-Y734 WeakPolarHBondContact O-CD2 3.39Å; L730-Y734 PolarHBondContact O-N 2.83Å; L731-Y734 PolarHBondContact O-N 2.83Å; Y734-H736 VanDerWaalsContact C-N 3.33Å; Y734-H736 PolarHBondContact O-N 2.89Å; Y734-V737 PolarHBondContact O-N 3.25Å; Y734-L738 WeakPolarHBondContact O-CG 3.43Å; Y734-L738 PolarHBondContact O-N 2.95Å; Y734-H958 AromaticContact CE1-CD2 3.9Å; Y734-H958 AromaticContact CE1-NE2 3.55Å
735	I	91.1	Very high	88.7	Confident	7 Å²	7	46 Å²	46	4%	0.036	25%	0.248	C	C	.	.	H	α-helix	trans	-61.1	-44.1	178	-65.2	167.8	0	0	0	110.6	L715 M718 A719 V724 L731 K733 L738 G739	L715-I735 HydrophobicContact CB-CG2 4.15Å; L715-I735 HydrophobicContact CD2-CG2 4.25Å; L715-I735 WeakPolarHBondContact O-CG2 3.39Å; M718-I735 HydrophobicContact CE-CD1 3.68Å; M718-I735 HydrophobicContact CE-CG1 3.81Å; M718-I735 HydrophobicContact CE-CG2 4.07Å; A719-I735 HydrophobicContact CB-CG2 3.92Å; V724-I735 HydrophobicContact CG1-CD1 3.33Å; L731-I735 HydrophobicContact CD1-CD1 4.26Å; L731-I735 HydrophobicContact CD1-CG1 4.37Å; L731-I735 HydrophobicContact CD2-CD1 4.43Å; L731-I735 HydrophobicContact CG-CD1 3.9Å; L731-I735 HydrophobicContact CG-CG1 4.43Å; L731-I735 WeakPolarHBondContact O-CG1 3.13Å; L731-I735 PolarHBondContact O-N 3.18Å; K733-I735 PolarHBondContact O-N 2.68Å; I735-L738 PolarHBondContact O-N 3.28Å; I735-G739 PolarHBondContact O-N 2.59Å
736	H	92.1	Very high	88.7	Confident	20 Å²	20	44.3 Å²	44.3	9%	0.093	24%	0.24	C	C	.	.	H	α-helix	trans	-66.8	-37.5	176.5	-75	89.9	0	0	0	112.8	F716 L732 K733 Y734 G739 A740 A794 Y797	F716-H736 AromaticContact CD1-CD2 3.94Å; L732-H736 PolarHBondContact O-N 3.13Å; L732-H736 VanDerWaalsContact O-N 3.11Å; L732-H736 PolarHBondContact O-ND1 2.78Å; K733-H736 PolarHBondContact O-N 3.35Å; Y734-H736 VanDerWaalsContact C-N 3.33Å; Y734-H736 PolarHBondContact O-N 2.89Å; H736-G739 PolarHBondContact O-N 3.45Å; H736-A740 VanDerWaalsContact O-CB 3.28Å; H736-A740 WeakPolarHBondContact O-CB 3.49Å; H736-A740 PolarHBondContact O-N 3.16Å; H736-A794 HydrophobicContact CB-CB 3.98Å; H736-Y797 AromaticContact CE1-CE2 3.75Å; H736-Y797 AromaticContact ND1-CE2 3.92Å
737	V	92.8	Very high	88.7	Confident	6 Å²	6	42 Å²	42	4%	0.036	22%	0.223	C	C	.	.	H	α-helix	trans	-63.7	-45.9	174.6	169.9	0	0	0	0	110.6	K733 Y734 A740 L741 W791 A794 L956 C957	K733-V737 HydrophobicContact CG-CG2 4.36Å; K733-V737 VanDerWaalsContact O-CG2 3.28Å; K733-V737 WeakPolarHBondContact O-CG2 3.23Å; K733-V737 PolarHBondContact O-N 2.82Å; Y734-V737 PolarHBondContact O-N 3.25Å; V737-A740 PolarHBondContact O-N 2.73Å; V737-L741 HydrophobicContact CG1-CD1 3.92Å; V737-L741 HydrophobicContact CG1-CG 4.34Å; V737-L741 WeakPolarHBondContact O-CB 3.47Å; V737-L741 VanDerWaalsContact O-CG 3.29Å; V737-L741 WeakPolarHBondContact O-CG 3.25Å; V737-L741 PolarHBondContact O-N 2.7Å; V737-W791 HydrophobicContact CG1-CZ3 4.36Å; V737-A794 HydrophobicContact CG2-CB 3.71Å; V737-L956 WeakPolarHBondContact CG2-O 3.23Å; V737-C957 HydrophobicContact CG1-CB 4.49Å
738	L	91	Very high	88.4	Confident	93 Å²	93	43.3 Å²	43.3	49%	0.487	22%	0.221	S	C	.	.	H	α-helix	trans	-62	-45.4	176.8	-71.5	172.1	0	0	0	111.6	L715 Y734 I735 A740 L741 L742	L715-L738 HydrophobicContact CD1-CB 3.81Å; Y734-L738 WeakPolarHBondContact O-CG 3.43Å; Y734-L738 PolarHBondContact O-N 2.95Å; I735-L738 PolarHBondContact O-N 3.28Å; L738-A740 VanDerWaalsContact C-N 3.34Å; L738-A740 PolarHBondContact O-N 3.06Å; L738-L741 PolarHBondContact O-N 3.1Å; L738-L742 WeakPolarHBondContact O-CG 3.44Å; L738-L742 PolarHBondContact O-N 3.26Å
739	G	90.2	Very high	87.8	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-58.6	-45.1	175	0	0	0	0	0	112	F716 I735 H736 L742 V743	F716-G739 VanDerWaalsContact CZ-C 3.45Å; I735-G739 PolarHBondContact O-N 2.59Å; H736-G739 PolarHBondContact O-N 3.45Å; G739-L742 PolarHBondContact O-N 2.96Å; G739-V743 WeakPolarHBondContact O-CG2 3.49Å; G739-V743 PolarHBondContact O-N 2.74Å; G739-V743 VanDerWaalsContact O-N 3.13Å
740	A	90.8	Very high	87	Confident	0 Å²	0	50 Å²	50	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-66	-41.2	178.2	0	0	0	0	0	112.6	H736 V737 L738 L742 V743 E744 P790 W791	H736-A740 VanDerWaalsContact O-CB 3.28Å; H736-A740 WeakPolarHBondContact O-CB 3.49Å; H736-A740 PolarHBondContact O-N 3.16Å; V737-A740 PolarHBondContact O-N 2.73Å; L738-A740 VanDerWaalsContact C-N 3.34Å; L738-A740 PolarHBondContact O-N 3.06Å; A740-L742 PolarHBondContact O-N 2.87Å; A740-V743 PolarHBondContact O-N 3.36Å; A740-E744 WeakPolarHBondContact O-CG 3.44Å; A740-E744 PolarHBondContact O-N 3.44Å; A740-P790 HydrophobicContact CB-CB 4.18Å; A740-W791 HydrophobicContact CB-CD2 3.67Å; A740-W791 HydrophobicContact CB-CE3 3.86Å; A740-W791 HydrophobicContact CB-CG 4.17Å; A740-W791 HydrophobicContact CB-CH2 4.15Å; A740-W791 HydrophobicContact CB-CZ2 4Å; A740-W791 HydrophobicContact CB-CZ3 4.09Å
741	L	90.1	Very high	85.9	Confident	47 Å²	47	54 Å²	54	25%	0.246	25%	0.248	C	C	.	.	H	α-helix	trans	-61.8	-43	175.8	-74.5	171.5	0	0	0	111.8	V737 L738 V743 E744 M745 W791 T938	V737-L741 HydrophobicContact CG1-CD1 3.92Å; V737-L741 HydrophobicContact CG1-CG 4.34Å; V737-L741 WeakPolarHBondContact O-CB 3.47Å; V737-L741 VanDerWaalsContact O-CG 3.29Å; V737-L741 WeakPolarHBondContact O-CG 3.25Å; V737-L741 PolarHBondContact O-N 2.7Å; L738-L741 PolarHBondContact O-N 3.1Å; L741-V743 VanDerWaalsContact C-N 3.3Å; L741-V743 PolarHBondContact O-N 3.17Å; L741-E744 PolarHBondContact O-N 2.99Å; L741-M745 WeakPolarHBondContact O-CB 3.48Å; L741-M745 VanDerWaalsContact O-CG 3.26Å; L741-M745 WeakPolarHBondContact O-CG 3.4Å; L741-M745 PolarHBondContact O-N 2.97Å; L741-W791 HydrophobicContact CD2-CH2 3.9Å; L741-W791 HydrophobicContact CD2-CZ2 4.31Å; L741-W791 HydrophobicContact CG-CH2 4.1Å; L741-T938 HydrophobicContact CD2-CG2 3.63Å
742	L	87.7	Confident	84.7	Confident	14 Å²	14	57.6 Å²	57.6	7%	0.073	26%	0.261	C	S	.	.	H	α-helix	trans	-62.3	-37.7	175.6	-70.5	178.3	0	0	0	112.2	R703 L708 A711 A712 L715 L738 G739 A740 H746	R703-L742 HydrophobicContact CG-CD2 3.98Å; L708-L742 HydrophobicContact CD2-CD2 4.03Å; A711-L742 HydrophobicContact CB-CD1 3.76Å; A712-L742 HydrophobicContact CB-CB 3.96Å; A712-L742 HydrophobicContact CB-CD1 4.5Å; L715-L742 HydrophobicContact CD1-CD1 3.61Å; L738-L742 WeakPolarHBondContact O-CG 3.44Å; L738-L742 PolarHBondContact O-N 3.26Å; G739-L742 PolarHBondContact O-N 2.96Å; A740-L742 PolarHBondContact O-N 2.87Å; L742-H746 WeakPolarHBondContact O-CB 3.2Å; L742-H746 PolarHBondContact O-N 3.3Å
743	V	86.5	Confident	83.2	Confident	7 Å²	7	62.7 Å²	62.7	4%	0.042	29%	0.288	C	S	.	.	H	α-helix	trans	-66.7	-44	175	173.3	0	0	0	0	111.4	A712 F716 G739 A740 L741 H746 K747 Y785 P790	A712-V743 HydrophobicContact CB-CG2 3.7Å; F716-V743 HydrophobicContact CE2-CG2 4.14Å; G739-V743 WeakPolarHBondContact O-CG2 3.49Å; G739-V743 PolarHBondContact O-N 2.74Å; G739-V743 VanDerWaalsContact O-N 3.13Å; A740-V743 PolarHBondContact O-N 3.36Å; L741-V743 VanDerWaalsContact C-N 3.3Å; L741-V743 PolarHBondContact O-N 3.17Å; V743-H746 WeakPolarHBondContact O-CB 3.2Å; V743-H746 PolarHBondContact O-N 3.02Å; V743-K747 HydrophobicContact CG1-CD 4.43Å; V743-K747 WeakPolarHBondContact O-CG 3.32Å; V743-K747 PolarHBondContact O-N 3.47Å; V743-Y785 HydrophobicContact CG1-CE1 4.46Å; V743-Y785 HydrophobicContact CG2-CD1 4.26Å; V743-Y785 HydrophobicContact CG2-CE1 3.49Å; V743-Y785 VanDerWaalsContact CG2-CE1 3.49Å; V743-P790 HydrophobicContact CB-CB 4.37Å; V743-P790 HydrophobicContact CG1-CB 4.25Å; V743-P790 HydrophobicContact CG1-CG 4.19Å
744	E	84.1	Confident	81.4	Confident	33 Å²	33	65.3 Å²	65.3	15%	0.154	31%	0.308	C	S	.	.	H	α-helix	trans	-63.2	-43.5	175.4	-68	-57.8	151	0	0	111.3	A740 L741 H746 K747 D748 W791	A740-E744 WeakPolarHBondContact O-CG 3.44Å; A740-E744 PolarHBondContact O-N 3.44Å; L741-E744 PolarHBondContact O-N 2.99Å; E744-H746 VanDerWaalsContact C-N 3.26Å; E744-H746 PolarHBondContact O-N 3.24Å; E744-K747 PolarHBondContact O-N 2.85Å; E744-K747 VanDerWaalsContact O-N 3.14Å; E744-K747 IonicContact OE1-NZ 2.67Å; E744-D748 PolarHBondContact O-N 3.01Å; E744-W791 HydrophobicContact CG-CZ2 4.04Å; E744-W791 PolarHBondContact OE1-NE1 3.12Å
745	M	83.5	Confident	79.4	Confident	102 Å²	102	64.1 Å²	64.1	50%	0.502	31%	0.313	S	S	.	.	H	α-helix	trans	-60.4	-36	174.6	-71.6	177.6	73.6	0	0	112.5	L708 L741 R749	L708-M745 HydrophobicContact CD1-CB 3.91Å; L741-M745 WeakPolarHBondContact O-CB 3.48Å; L741-M745 VanDerWaalsContact O-CG 3.26Å; L741-M745 WeakPolarHBondContact O-CG 3.4Å; L741-M745 PolarHBondContact O-N 2.97Å; M745-R749 PolarHBondContact O-N 2.84Å
746	H	83.4	Confident	77.3	Confident	52 Å²	52	68.3 Å²	68.3	24%	0.241	34%	0.343	C	S	.	.	H	α-helix	trans	-67.8	-43.6	174.6	-172.2	70	0	0	0	111.8	L708 L742 V743 E744 R749 Q750	L708-H746 HydrophobicContact CB-CB 4.04Å; L708-H746 HydrophobicContact CD1-CB 4.33Å; L742-H746 WeakPolarHBondContact O-CB 3.2Å; L742-H746 PolarHBondContact O-N 3.3Å; V743-H746 WeakPolarHBondContact O-CB 3.2Å; V743-H746 PolarHBondContact O-N 3.02Å; E744-H746 VanDerWaalsContact C-N 3.26Å; E744-H746 PolarHBondContact O-N 3.24Å; H746-R749 PolarHBondContact O-N 3.46Å; H746-Q750 PolarHBondContact NE2-NE2 3.49Å; H746-Q750 PolarHBondContact O-N 3.35Å
747	K	81.2	Confident	74.7	Confident	92 Å²	92	71.9 Å²	71.9	40%	0.4	37%	0.371	S	S	.	.	H	α-helix	trans	-63	-43.9	176.1	-72.6	175.7	-177.1	173.2	0	112.2	V743 E744 R749 Q750 Y751	V743-K747 HydrophobicContact CG1-CD 4.43Å; V743-K747 WeakPolarHBondContact O-CG 3.32Å; V743-K747 PolarHBondContact O-N 3.47Å; E744-K747 PolarHBondContact O-N 2.85Å; E744-K747 VanDerWaalsContact O-N 3.14Å; E744-K747 IonicContact OE1-NZ 2.67Å; K747-R749 PolarHBondContact O-N 3.39Å; K747-Q750 PolarHBondContact O-N 3.28Å; K747-Y751 WeakPolarHBondContact O-CB 3.37Å; K747-Y751 PolarHBondContact O-N 3.02Å
748	D	77.7	Confident	71.8	Confident	89 Å²	89	80.1 Å²	80.1	48%	0.476	41%	0.409	S	S	.	.	H	α-helix	trans	-62.6	-34.4	177.6	-79.7	-12.8	0	0	0	111.7	E744 K752	E744-D748 PolarHBondContact O-N 3.01Å; D748-K752 WeakPolarHBondContact O-CG 3.35Å; D748-K752 PolarHBondContact O-N 2.91Å
749	R	71.5	Confident	69	Low	102 Å²	102	81.1 Å²	81.1	39%	0.385	42%	0.423	S	S	.	.	H	α-helix	trans	-67.3	-49.3	171.7	-86.5	-171.4	175.9	167.4	3.5	112.3	K706 M745 H746 K747 Y751 K752 D753	K706-R749 VanDerWaalsContact CB-NH1 3.33Å; M745-R749 PolarHBondContact O-N 2.84Å; H746-R749 PolarHBondContact O-N 3.46Å; K747-R749 PolarHBondContact O-N 3.39Å; R749-Y751 PolarHBondContact O-N 2.96Å; R749-K752 PolarHBondContact O-N 2.9Å; R749-K752 VanDerWaalsContact O-N 3.07Å; R749-D753 PolarHBondContact O-N 3.49Å
750	Q	73.3	Confident	66.1	Low	112 Å²	112	87.2 Å²	87.2	52%	0.523	46%	0.46	S	S	.	.	H	α-helix	trans	-58.2	-36.1	176.6	-71.2	-171.5	-6.6	0	0	111.9	H746 K747 D753 S754	H746-Q750 PolarHBondContact NE2-NE2 3.49Å; H746-Q750 PolarHBondContact O-N 3.35Å; K747-Q750 PolarHBondContact O-N 3.28Å; Q750-D753 PolarHBondContact O-N 3.45Å; Q750-S754 WeakPolarHBondContact O-CB 3.45Å; Q750-S754 PolarHBondContact O-N 3Å; Q750-S754 PolarHBondContact O-OG 2.98Å
751	Y	69.4	Low	63.2	Low	169 Å²	169	93.8 Å²	93.8	66%	0.663	50%	0.5	S	S	*	.	H	α-helix	trans	-68.9	-39.3	175.6	-159.5	-91.5	0	0	0	112.7	K747 R749 D753 S754 S755	K747-Y751 WeakPolarHBondContact O-CB 3.37Å; K747-Y751 PolarHBondContact O-N 3.02Å; R749-Y751 PolarHBondContact O-N 2.96Å; Y751-D753 VanDerWaalsContact C-N 3.34Å; Y751-S754 WeakPolarHBondContact CA-OG 3.25Å; Y751-S754 PolarHBondContact O-OG 3.43Å; Y751-S755 VanDerWaalsContact O-CB 3.23Å; Y751-S755 WeakPolarHBondContact O-CB 3.5Å; Y751-S755 PolarHBondContact O-N 3.11Å; Y751-S755 PolarHBondContact O-OG 3.34Å
752	K	65.4	Low	60.3	Low	152 Å²	152	102.5 Å²	102.5	66%	0.661	53%	0.53	S	S	*	.	H	α-helix	trans	-65.1	-37.7	173.3	-76.6	178.6	-179.3	-179.5	0	112.2	D748 R749 S755	D748-K752 WeakPolarHBondContact O-CG 3.35Å; D748-K752 PolarHBondContact O-N 2.91Å; R749-K752 PolarHBondContact O-N 2.9Å; R749-K752 VanDerWaalsContact O-N 3.07Å; K752-S755 PolarHBondContact O-OG 2.66Å
753	D	58.9	Low	57.5	Low	112 Å²	112	109.8 Å²	109.8	60%	0.599	57%	0.568	S	S	*	*	H	α-helix	trans	-72	-39.8	178.7	-65.6	-22.3	0	0	0	111.3	R749 Q750 Y751 S756	R749-D753 PolarHBondContact O-N 3.49Å; Q750-D753 PolarHBondContact O-N 3.45Å; Y751-D753 VanDerWaalsContact C-N 3.34Å; D753-S756 PolarHBondContact O-OG 3.45Å
754	S	56.5	Low	54.7	Low	67 Å²	67	116 Å²	116	47%	0.469	61%	0.606	S	S	.	*	H	α-helix	trans	-74.6	-35.4	176.9	50	0	0	0	0	114.4	Q750 Y751 S756 S757	Q750-S754 WeakPolarHBondContact O-CB 3.45Å; Q750-S754 PolarHBondContact O-N 3Å; Q750-S754 PolarHBondContact O-OG 2.98Å; Y751-S754 WeakPolarHBondContact CA-OG 3.25Å; Y751-S754 PolarHBondContact O-OG 3.43Å; S754-S756 PolarHBondContact O-N 3.47Å; S754-S757 PolarHBondContact O-N 3.01Å
755	S	50.8	Low	52.2	Low	70 Å²	70	119.9 Å²	119.9	49%	0.49	64%	0.637	S	S	.	*	H	α-helix	trans	-69.9	-13.4	177.1	55.9	0	0	0	0	114	Y751 K752 S757	Y751-S755 VanDerWaalsContact O-CB 3.23Å; Y751-S755 WeakPolarHBondContact O-CB 3.5Å; Y751-S755 PolarHBondContact O-N 3.11Å; Y751-S755 PolarHBondContact O-OG 3.34Å; K752-S755 PolarHBondContact O-OG 2.66Å; S755-S757 PolarHBondContact O-N 3.37Å
756	S	46	Very low	49.5	Very low	96 Å²	96	121.7 Å²	121.7	67%	0.671	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	-9.8	168.7	73.8	0	0	0	0	113.5	D753 S754	D753-S756 PolarHBondContact O-OG 3.45Å; S754-S756 PolarHBondContact O-N 3.47Å
757	S	38.2	Very low	46.8	Very low	95 Å²	95	130.1 Å²	130.1	66%	0.664	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116	-10.5	-167.6	-63.1	0	0	0	0	117.3	S754 S755	S754-S757 PolarHBondContact O-N 3.01Å; S755-S757 PolarHBondContact O-N 3.37Å
758	E	32.5	Very low	44.3	Very low	179 Å²	179	131.9 Å²	131.9	84%	0.836	71%	0.705	S	S	*	*	S	Bend	trans	-139.6	129.5	176.1	-74.9	-169.4	161.5	0	0	115.3
759	S	30.8	Very low	42	Very low	114 Å²	114	137.3 Å²	137.3	80%	0.797	72%	0.724	S	S	*	*			trans	-65.9	132	-177.1	45	0	0	0	0	114.7
760	V	29.2	Very low	40.1	Very low	127 Å²	127	137.9 Å²	137.9	77%	0.77	74%	0.739	S	S	*	*			trans	-34.6	123.5	168.1	-178.8	0	0	0	0	115.2
761	T	31.6	Very low	37.9	Very low	138 Å²	138	140.9 Å²	140.9	85%	0.847	76%	0.758	S	S	*	*			trans	-140.7	117.2	145.7	20.5	0	0	0	0	110.6
762	R	28.2	Very low	36.1	Very low	231 Å²	231	140 Å²	140	87%	0.872	76%	0.764	S	S	*	*			trans	-71.7	128.5	173.5	-64.5	176.5	-168	175.2	3.1	109.8
763	L	29.7	Very low	34.6	Very low	166 Å²	166	139.8 Å²	139.8	87%	0.869	77%	0.771	S	S	*	*			trans	-138.2	106.8	156	-84.3	166	0	0	0	110.2	S765	L763-S765 PolarHBondContact O-N 3.47Å
764	T	27.2	Very low	33.4	Very low	138 Å²	138	142.7 Å²	142.7	85%	0.847	79%	0.785	S	S	*	*			trans	-61.5	114.7	162.1	45.3	0	0	0	0	110.2
765	S	31.8	Very low	32	Very low	115 Å²	115	146.7 Å²	146.7	80%	0.804	80%	0.801	S	S	*	*			trans	-161.3	138.3	151.2	71	0	0	0	0	111.5	L763	L763-S765 PolarHBondContact O-N 3.47Å
766	T	27.2	Very low	31	Very low	140 Å²	140	150.8 Å²	150.8	86%	0.859	82%	0.816	S	S	*	*			trans	-74.8	109.9	-177.9	35	0	0	0	0	111.7
767	R	26.4	Very low	30.2	Very low	228 Å²	228	153.3 Å²	153.3	86%	0.86	82%	0.822	S	S	*	*			trans	-173.7	130.4	152.2	-106.3	167.8	-175.9	-173.4	1.3	109.2	K769	R767-K769 PolarHBondContact O-N 2.98Å; R767-K769 VanDerWaalsContact O-N 3.15Å
768	P	28	Very low	29.7	Very low	130 Å²	130	157.8 Å²	157.8	84%	0.844	83%	0.833	S	S	*	*			trans	-74.8	109.4	179.8	30.8	-28.9	0	0	0	108
769	K	30.2	Very low	29.5	Very low	203 Å²	203	152.8 Å²	152.8	88%	0.883	82%	0.818	S	S	*	*			trans	-83.9	120.7	168.1	-75	-175.3	175.5	-176.8	0	108.3	R767	R767-K769 PolarHBondContact O-N 2.98Å; R767-K769 VanDerWaalsContact O-N 3.15Å
770	T	29.9	Very low	29.5	Very low	114 Å²	114	154.6 Å²	154.6	70%	0.699	82%	0.818	S	S	*	*			trans	-59	135.7	176.5	40.1	0	0	0	0	111.7	N772	T770-N772 PolarHBondContact O-N 3.46Å
771	L	28.6	Very low	29.7	Very low	175 Å²	175	154.5 Å²	154.5	92%	0.916	81%	0.809	S	S	*	*	G	3₁₀ helix	trans	-62.5	-1.2	-172.7	-155.4	88.7	0	0	0	115.7	D773	L771-D773 VanDerWaalsContact C-N 3.32Å; L771-D773 PolarHBondContact O-N 3.43Å
772	N	30.9	Very low	29.9	Very low	149 Å²	149	150.6 Å²	150.6	80%	0.797	79%	0.791	S	S	*	*	G	3₁₀ helix	trans	-80.8	-1.4	-174.5	-82.2	-1.5	0	0	0	115.1	T770	T770-N772 PolarHBondContact O-N 3.46Å
773	D	33.7	Very low	30	Very low	148 Å²	148	144.8 Å²	144.8	79%	0.791	78%	0.777	S	S	*	*	G	3₁₀ helix	trans	-103	14	-166.4	-113.8	4.3	0	0	0	115.7	L771	L771-D773 VanDerWaalsContact C-N 3.32Å; L771-D773 PolarHBondContact O-N 3.43Å
774	L	33.2	Very low	30.4	Very low	173 Å²	173	141.2 Å²	141.2	91%	0.906	76%	0.755	S	S	*	*			trans	-135	40.7	-178.3	-127.9	104.8	0	0	0	114.9
775	L	27.3	Very low	31.4	Very low	152 Å²	152	137.8 Å²	137.8	80%	0.796	73%	0.727	S	S	*	*			trans	-79.7	117.8	160.5	-87.1	162.3	0	0	0	108.8
776	L	29.8	Very low	31.6	Very low	155 Å²	155	135.5 Å²	135.5	81%	0.812	72%	0.715	S	S	*	*			trans	-177.5	93.8	149.7	-94.4	169.4	0	0	0	108.2
777	D	30.3	Very low	32.3	Very low	150 Å²	150	134.9 Å²	134.9	80%	0.802	71%	0.711	S	S	*	*				-171.3	138.3	122.2	-104.1	-13.9	0	0	0	111.9	S779	D777-S779 PolarHBondContact O-N 2.74Å
778	Q	27.4	Very low	33.7	Very low	188 Å²	188	126.8 Å²	126.8	88%	0.879	69%	0.685	S	S	*	*			trans	-78.7	109.4	-161	-64.3	169	-10.6	0	0	111.7
779	S	29.2	Very low	36.1	Very low	75 Å²	75	124.4 Å²	124.4	52%	0.524	67%	0.665	S	S	.	*			trans	-154.1	134.9	152.8	58.5	0	0	0	0	109.1	D777 H781 A782	D777-S779 PolarHBondContact O-N 2.74Å; S779-H781 PolarHBondContact O-N 2.76Å; S779-A782 PolarHBondContact O-N 3.21Å
780	D	29.3	Very low	38.7	Very low	151 Å²	151	115.5 Å²	115.5	81%	0.807	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.4	-6.5	-173.1	-70.2	-44.6	0	0	0	114.7
781	H	34.1	Very low	41.5	Very low	126 Å²	126	110.4 Å²	110.4	58%	0.583	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	-20.6	176.9	-62.1	-42.9	0	0	0	114.5	S779 N783	S779-H781 PolarHBondContact O-N 2.76Å; H781-N783 VanDerWaalsContact C-N 3.3Å; H781-N783 PolarHBondContact O-N 3.1Å
782	A	34.7	Very low	44.5	Very low	55 Å²	55	104.6 Å²	104.6	46%	0.455	56%	0.562	S	S	.	*	G	3₁₀ helix	trans	-71.8	-24.1	-179.4	0	0	0	0	0	112.9	S779 F784 A786	S779-A782 PolarHBondContact O-N 3.21Å; A782-F784 VanDerWaalsContact C-N 3.29Å; A782-F784 PolarHBondContact O-N 2.96Å; A782-A786 PolarHBondContact O-N 2.82Å
783	N	31.9	Very low	47.3	Very low	110 Å²	110	97.6 Å²	97.6	59%	0.588	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-71.9	-16.9	-176.7	-79.8	-18	0	0	0	114.5	H781 Y785	H781-N783 VanDerWaalsContact C-N 3.3Å; H781-N783 PolarHBondContact O-N 3.1Å; N783-Y785 PolarHBondContact O-N 2.93Å
784	F	37.8	Very low	50.1	Low	90 Å²	90	90.6 Å²	90.6	40%	0.395	49%	0.488	S	S	.	.	G	3₁₀ helix	trans	-71.8	-31.6	-178.9	-162.5	-95.6	0	0	0	112.8	K713 A782	K713-F784 HydrophobicContact CG-CD1 4.11Å; K713-F784 HydrophobicContact CG-CE1 4.25Å; A782-F784 VanDerWaalsContact C-N 3.29Å; A782-F784 PolarHBondContact O-N 2.96Å
785	Y	47.1	Very low	52.9	Low	67 Å²	67	83.8 Å²	83.8	26%	0.263	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-11.1	179.8	-60.2	-70.1	0	0	0	113.3	D709 F716 V743 N783 T787	D709-Y785 PolarHBondContact O-OH 3.03Å; F716-Y785 HydrophobicContact CE2-CE1 4.32Å; V743-Y785 HydrophobicContact CG1-CE1 4.46Å; V743-Y785 HydrophobicContact CG2-CD1 4.26Å; V743-Y785 HydrophobicContact CG2-CE1 3.49Å; V743-Y785 VanDerWaalsContact CG2-CE1 3.49Å; N783-Y785 PolarHBondContact O-N 2.93Å; Y785-T787 VanDerWaalsContact C-N 3.28Å; Y785-T787 PolarHBondContact O-N 2.96Å
786	A	35.7	Very low	56	Low	67 Å²	67	76.5 Å²	76.5	55%	0.554	41%	0.413	S	S	*	.	S	Bend	trans	-72	-17.5	-172.6	0	0	0	0	0	114	A782	A782-A786 PolarHBondContact O-N 2.82Å
787	T	42.3	Very low	59	Low	127 Å²	127	70 Å²	70	78%	0.779	38%	0.378	S	S	*	.	S	Bend	trans	-111	-13.8	-176.1	52.4	0	0	0	0	115.2	Y785	Y785-T787 VanDerWaalsContact C-N 3.28Å; Y785-T787 PolarHBondContact O-N 2.96Å
788	D	57.4	Low	62.1	Low	57 Å²	57	63.6 Å²	63.6	31%	0.305	34%	0.343	S	S	.	.	S	Bend	trans	-136.7	125.1	-174.4	-116.8	-19.3	0	0	0	111.2	R792 K828	D788-R792 WeakPolarHBondContact OD1-CD 3.49Å; D788-R792 IonicContact OD1-NH1 3.78Å; D788-R792 PolarHBondContact OD1-NH1 3.29Å; D788-K828 IonicContact OD2-NZ 3.95Å; D788-K828 PolarHBondContact OD2-NZ 3.16Å
789	N	77.3	Confident	65.3	Low	80 Å²	80	55.3 Å²	55.3	43%	0.428	30%	0.304	S	S	.	.			trans	-58.2	124.5	171.4	171.7	5.1	0	0	0	108.7	W791 R792	N789-W791 PolarHBondContact O-N 2.75Å; N789-W791 PolarHBondContact OD1-N 3.38Å; N789-W791 VanDerWaalsContact OD1-N 3.16Å; N789-R792 HydrophobicContact CB-CB 4.2Å; N789-R792 WeakPolarHBondContact O-CB 3.05Å; N789-R792 PolarHBondContact O-N 3.5Å
790	P	84.9	Confident	68.4	Low	17 Å²	17	53.1 Å²	53.1	11%	0.11	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-27.9	-175.5	21.4	-33.5	0	0	0	113	F716 A740 V743	F716-P790 HydrophobicContact CZ-CB 4.48Å; A740-P790 HydrophobicContact CB-CB 4.18Å; V743-P790 HydrophobicContact CB-CB 4.37Å; V743-P790 HydrophobicContact CG1-CB 4.25Å; V743-P790 HydrophobicContact CG1-CG 4.19Å
791	W	89.6	Confident	71.5	Confident	6 Å²	6	47.7 Å²	47.7	2%	0.023	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-10.2	178.2	-65.9	95.9	0	0	0	114.2	V737 A740 L741 E744 N789 G793 A794 Q795 C939 H941 L956 C957	V737-W791 HydrophobicContact CG1-CZ3 4.36Å; A740-W791 HydrophobicContact CB-CD2 3.67Å; A740-W791 HydrophobicContact CB-CE3 3.86Å; A740-W791 HydrophobicContact CB-CG 4.17Å; A740-W791 HydrophobicContact CB-CH2 4.15Å; A740-W791 HydrophobicContact CB-CZ2 4Å; A740-W791 HydrophobicContact CB-CZ3 4.09Å; L741-W791 HydrophobicContact CD2-CH2 3.9Å; L741-W791 HydrophobicContact CD2-CZ2 4.31Å; L741-W791 HydrophobicContact CG-CH2 4.1Å; E744-W791 HydrophobicContact CG-CZ2 4.04Å; E744-W791 PolarHBondContact OE1-NE1 3.12Å; N789-W791 PolarHBondContact O-N 2.75Å; N789-W791 PolarHBondContact OD1-N 3.38Å; N789-W791 VanDerWaalsContact OD1-N 3.16Å; W791-G793 PolarHBondContact O-N 3.32Å; W791-A794 HydrophobicContact CE3-CB 4.37Å; W791-A794 WeakPolarHBondContact O-CB 3.4Å; W791-A794 PolarHBondContact O-N 2.99Å; W791-A794 VanDerWaalsContact O-N 3.08Å; W791-Q795 WeakPolarHBondContact O-CG 3.39Å; W791-Q795 PolarHBondContact O-N 2.92Å; W791-C939 HydrophobicContact CD2-CB 4.05Å; W791-C939 HydrophobicContact CE3-CB 3.94Å; W791-C939 HydrophobicContact CH2-CB 3.53Å; W791-C939 HydrophobicContact CZ2-CB 3.61Å; W791-C939 HydrophobicContact CZ3-CB 3.7Å; W791-H941 AromaticContact CD2-CE1 3.99Å; W791-H941 AromaticContact CG-CE1 3.62Å; W791-L956 HydrophobicContact CE3-CD2 4.28Å; W791-C957 HydrophobicContact CH2-CB 3.63Å; W791-C957 HydrophobicContact CZ3-CB 3.65Å
792	R	90.1	Very high	74.4	Confident	53 Å²	53	42.3 Å²	42.3	20%	0.2	23%	0.23	C	C	.	.	H	α-helix	trans	-62.3	-39.9	-170.8	-168.1	165.4	169.9	-84.3	-12.1	113.1	D788 N789 Q795 A796 D824 Y825 D827	D788-R792 WeakPolarHBondContact OD1-CD 3.49Å; D788-R792 IonicContact OD1-NH1 3.78Å; D788-R792 PolarHBondContact OD1-NH1 3.29Å; N789-R792 HydrophobicContact CB-CB 4.2Å; N789-R792 WeakPolarHBondContact O-CB 3.05Å; N789-R792 PolarHBondContact O-N 3.5Å; R792-Q795 PolarHBondContact O-N 2.88Å; R792-A796 PolarHBondContact O-N 3.1Å; R792-D824 PolarHBondContact NH2-O 3.07Å; R792-Y825 HydrophobicContact CG-CD1 3.97Å; R792-Y825 HydrophobicContact CG-CE1 3.73Å; R792-D827 IonicContact CZ-OD1 2.65Å; R792-D827 VanDerWaalsContact CZ-OD1 3.23Å; R792-D827 IonicContact CZ-OD2 3.32Å; R792-D827 IonicContact NH1-OD1 3.74Å; R792-D827 PolarHBondContact NH1-OD1 2.81Å; R792-D827 IonicContact NH1-OD2 2.76Å; R792-D827 PolarHBondContact NH1-OD2 3.14Å; R792-D827 IonicContact NH2-OD1 2.8Å; R792-D827 PolarHBondContact NH2-OD1 3.34Å; R792-D827 IonicContact NH2-OD2 3.04Å
793	G	89.5	Confident	77.2	Confident	3 Å²	3	39.7 Å²	39.7	3%	0.031	21%	0.209	C	C	.	.	H	α-helix	trans	-66.3	-41.7	173.5	0	0	0	0	0	112.5	W791 Q795 A796 Y797	W791-G793 PolarHBondContact O-N 3.32Å; G793-Q795 PolarHBondContact O-N 3.04Å; G793-A796 PolarHBondContact O-N 2.62Å; G793-Y797 VanDerWaalsContact O-CD2 3.23Å; G793-Y797 WeakPolarHBondContact O-CD2 3.45Å; G793-Y797 PolarHBondContact O-N 2.96Å
794	A	92.8	Very high	80.2	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.6	-40.2	176.1	0	0	0	0	0	112	H736 V737 W791 H798 L956	H736-A794 HydrophobicContact CB-CB 3.98Å; V737-A794 HydrophobicContact CG2-CB 3.71Å; W791-A794 HydrophobicContact CE3-CB 4.37Å; W791-A794 WeakPolarHBondContact O-CB 3.4Å; W791-A794 PolarHBondContact O-N 2.99Å; W791-A794 VanDerWaalsContact O-N 3.08Å; A794-H798 WeakPolarHBondContact O-CB 3.22Å; A794-H798 PolarHBondContact O-N 3.45Å; A794-L956 HydrophobicContact CB-CD1 4.18Å
795	Q	92	Very high	82.8	Confident	30 Å²	30	40.3 Å²	40.3	14%	0.14	20%	0.203	C	C	.	.	H	α-helix	trans	-61.3	-46.4	174.2	-72.7	175.2	-30.9	0	0	111.6	W791 R792 G793 H798 Y799 Y825 H941 L956	W791-Q795 WeakPolarHBondContact O-CG 3.39Å; W791-Q795 PolarHBondContact O-N 2.92Å; R792-Q795 PolarHBondContact O-N 2.88Å; G793-Q795 PolarHBondContact O-N 3.04Å; Q795-H798 PolarHBondContact O-N 2.82Å; Q795-Y799 HydrophobicContact CB-CD2 4.36Å; Q795-Y799 HydrophobicContact CB-CE2 4.24Å; Q795-Y799 WeakPolarHBondContact O-CD2 3.26Å; Q795-Y799 PolarHBondContact O-N 3.37Å; Q795-Y825 HydrophobicContact CB-CE1 4.1Å; Q795-Y825 PolarHBondContact OE1-OH 3.36Å; Q795-H941 WeakPolarHBondContact CG-NE2 3.34Å; Q795-H941 PolarHBondContact NE2-CD2 3.26Å; Q795-H941 PolarHBondContact NE2-NE2 3.38Å; Q795-L956 HydrophobicContact CG-CD2 4.37Å
796	A	92.7	Very high	85	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-55.6	-57.7	-179.2	0	0	0	0	0	111.3	R792 G793 H798 Y799 Y800 L822 Y825 K828 I829	R792-A796 PolarHBondContact O-N 3.1Å; G793-A796 PolarHBondContact O-N 2.62Å; A796-H798 VanDerWaalsContact C-N 3.3Å; A796-H798 PolarHBondContact O-N 2.76Å; A796-Y799 PolarHBondContact O-N 2.91Å; A796-Y800 WeakPolarHBondContact O-CB 3.27Å; A796-Y800 PolarHBondContact O-N 3.04Å; A796-L822 WeakPolarHBondContact O-CD2 2.99Å; A796-Y825 HydrophobicContact CB-CD1 3.54Å; A796-Y825 HydrophobicContact CB-CE1 4.22Å; A796-Y825 HydrophobicContact CB-CG 3.81Å; A796-K828 HydrophobicContact CB-CB 3.97Å; A796-K828 HydrophobicContact CB-CG 4.38Å; A796-I829 HydrophobicContact CB-CD1 4.01Å; A796-I829 HydrophobicContact CB-CG1 4.26Å
797	Y	93.8	Very high	87.7	Confident	19 Å²	19	35.9 Å²	35.9	8%	0.075	17%	0.174	C	C	.	.	H	α-helix	trans	-67	-31.8	-179.7	-68	-69.5	0	0	0	112.5	P729 L732 H736 G793 Y800 I801 K828 I829	P729-Y797 HydrophobicContact CB-CD1 3.93Å; L732-Y797 HydrophobicContact CB-CD1 4.14Å; L732-Y797 HydrophobicContact CB-CD2 3.85Å; L732-Y797 HydrophobicContact CB-CE1 3.95Å; L732-Y797 HydrophobicContact CB-CE2 3.66Å; L732-Y797 HydrophobicContact CB-CG 4.1Å; L732-Y797 HydrophobicContact CD1-CD1 4.39Å; L732-Y797 HydrophobicContact CD1-CE1 3.58Å; L732-Y797 HydrophobicContact CD1-CE2 4.39Å; L732-Y797 HydrophobicContact CG-CE1 4.39Å; L732-Y797 HydrophobicContact CG-CE2 4.49Å; H736-Y797 AromaticContact CE1-CE2 3.75Å; H736-Y797 AromaticContact ND1-CE2 3.92Å; G793-Y797 VanDerWaalsContact O-CD2 3.23Å; G793-Y797 WeakPolarHBondContact O-CD2 3.45Å; G793-Y797 PolarHBondContact O-N 2.96Å; Y797-Y800 PolarHBondContact O-N 3.5Å; Y797-I801 WeakPolarHBondContact O-CB 3.33Å; Y797-I801 WeakPolarHBondContact O-CD1 3.35Å; Y797-I801 VanDerWaalsContact O-CG1 3.23Å; Y797-I801 WeakPolarHBondContact O-CG1 3.46Å; Y797-I801 PolarHBondContact O-N 2.86Å; Y797-K828 PolarHBondContact OH-O 2.81Å; Y797-K828 VanDerWaalsContact OH-O 3.07Å; Y797-I829 HydrophobicContact CD1-CD1 4.37Å; Y797-I829 HydrophobicContact CD1-CG1 4.31Å; Y797-I829 HydrophobicContact CE1-CG1 4.05Å
798	H	94.8	Very high	90.1	Very high	15 Å²	15	39.4 Å²	39.4	7%	0.069	18%	0.175	C	C	.	.	H	α-helix	trans	-62.3	-50.5	174.1	176.6	60.8	0	0	0	112.1	K733 A794 Q795 A796 Y800 I801 L802 L921 L956	K733-H798 HydrophobicContact CD-CB 4.41Å; A794-H798 WeakPolarHBondContact O-CB 3.22Å; A794-H798 PolarHBondContact O-N 3.45Å; Q795-H798 PolarHBondContact O-N 2.82Å; A796-H798 VanDerWaalsContact C-N 3.3Å; A796-H798 PolarHBondContact O-N 2.76Å; H798-Y800 VanDerWaalsContact C-N 3.33Å; H798-Y800 PolarHBondContact O-N 3.09Å; H798-I801 PolarHBondContact O-N 3.22Å; H798-L802 VanDerWaalsContact O-CB 3.25Å; H798-L802 WeakPolarHBondContact O-CB 3.33Å; H798-L802 PolarHBondContact O-N 3.07Å; H798-L921 PolarHBondContact NE2-O 3.1Å; H798-L956 HydrophobicContact CB-CD1 3.69Å
799	Y	94.5	Very high	91.7	Very high	14 Å²	14	43.7 Å²	43.7	6%	0.055	19%	0.193	C	C	.	.	H	α-helix	trans	-67.1	-33.9	178.2	-72	-52	0	0	0	112.2	Q795 A796 L802 S803 I818 L821 V919	Q795-Y799 HydrophobicContact CB-CD2 4.36Å; Q795-Y799 HydrophobicContact CB-CE2 4.24Å; Q795-Y799 WeakPolarHBondContact O-CD2 3.26Å; Q795-Y799 PolarHBondContact O-N 3.37Å; A796-Y799 PolarHBondContact O-N 2.91Å; Y799-L802 HydrophobicContact CD1-CD2 4.38Å; Y799-L802 PolarHBondContact O-N 3.1Å; Y799-S803 WeakPolarHBondContact O-CB 3.38Å; Y799-S803 PolarHBondContact O-N 2.85Å; Y799-I818 HydrophobicContact CD1-CG2 4.23Å; Y799-I818 HydrophobicContact CG-CG2 4.35Å; Y799-I818 WeakPolarHBondContact O-CG2 3.4Å; Y799-L821 HydrophobicContact CD1-CD2 4.28Å; Y799-L821 HydrophobicContact CD2-CD2 3.92Å; Y799-L821 HydrophobicContact CE1-CD2 4.29Å; Y799-L821 HydrophobicContact CE2-CD2 3.91Å; Y799-L821 HydrophobicContact CG-CD2 4.12Å; Y799-V919 HydrophobicContact CE1-CG1 4.04Å
800	Y	94.5	Very high	92.2	Very high	29 Å²	29	43 Å²	43	11%	0.114	21%	0.205	C	C	.	.	H	α-helix	trans	-61.5	-50.3	174.3	-176.5	-106.4	0	0	0	112.3	P729 A796 Y797 H798 L802 S803 Q804 L822 I829 E833 L837	P729-Y800 HydrophobicContact CB-CD1 4.04Å; P729-Y800 HydrophobicContact CB-CE1 4.26Å; P729-Y800 HydrophobicContact CG-CD1 4.4Å; P729-Y800 HydrophobicContact CG-CE1 4.32Å; A796-Y800 WeakPolarHBondContact O-CB 3.27Å; A796-Y800 PolarHBondContact O-N 3.04Å; Y797-Y800 PolarHBondContact O-N 3.5Å; H798-Y800 VanDerWaalsContact C-N 3.33Å; H798-Y800 PolarHBondContact O-N 3.09Å; Y800-L802 VanDerWaalsContact C-N 3.34Å; Y800-L802 PolarHBondContact O-N 3.08Å; Y800-S803 PolarHBondContact O-N 3.38Å; Y800-Q804 PolarHBondContact O-N 2.96Å; Y800-Q804 PolarHBondContact OH-NE2 3.15Å; Y800-L822 HydrophobicContact CD2-CD1 4.11Å; Y800-I829 HydrophobicContact CD2-CD1 4.08Å; Y800-I829 HydrophobicContact CD2-CG2 4.2Å; Y800-I829 HydrophobicContact CE2-CG2 4.16Å; Y800-I829 HydrophobicContact CG-CD1 3.9Å; Y800-E833 HydrophobicContact CE2-CB 4.3Å; Y800-E833 VanDerWaalsContact CZ-OE2 3.31Å; Y800-E833 PolarHBondContact OH-OE2 2.95Å; Y800-L837 HydrophobicContact CD2-CD2 4.24Å; Y800-L837 HydrophobicContact CE2-CD2 4.32Å
801	I	94.6	Very high	92.5	Very high	37 Å²	37	45.1 Å²	45.1	19%	0.19	22%	0.215	C	C	.	.	H	α-helix	trans	-64.2	-40.1	175.9	-64.6	165	0	0	0	110.9	P729 L730 Y797 H798 Q804 R805	P729-I801 HydrophobicContact CB-CD1 4.15Å; P729-I801 HydrophobicContact CB-CG1 4.05Å; P729-I801 HydrophobicContact CG-CD1 4.43Å; P729-I801 HydrophobicContact CG-CG1 4.12Å; L730-I801 HydrophobicContact CB-CD1 4.36Å; L730-I801 HydrophobicContact CD1-CD1 4.27Å; Y797-I801 WeakPolarHBondContact O-CB 3.33Å; Y797-I801 WeakPolarHBondContact O-CD1 3.35Å; Y797-I801 VanDerWaalsContact O-CG1 3.23Å; Y797-I801 WeakPolarHBondContact O-CG1 3.46Å; Y797-I801 PolarHBondContact O-N 2.86Å; H798-I801 PolarHBondContact O-N 3.22Å; I801-Q804 PolarHBondContact O-N 2.66Å; I801-R805 WeakPolarHBondContact O-CB 3.44Å; I801-R805 PolarHBondContact O-N 2.72Å
802	L	93.9	Very high	92.6	Very high	12 Å²	12	45.6 Å²	45.6	6%	0.063	22%	0.22	C	C	.	.	H	α-helix	trans	-64.7	-43.1	-179.6	-175.5	63.4	0	0	0	112	H798 Y799 Y800 Q804 R805 I806 I818 L921 V922	H798-L802 VanDerWaalsContact O-CB 3.25Å; H798-L802 WeakPolarHBondContact O-CB 3.33Å; H798-L802 PolarHBondContact O-N 3.07Å; Y799-L802 HydrophobicContact CD1-CD2 4.38Å; Y799-L802 PolarHBondContact O-N 3.1Å; Y800-L802 VanDerWaalsContact C-N 3.34Å; Y800-L802 PolarHBondContact O-N 3.08Å; L802-Q804 PolarHBondContact O-N 2.92Å; L802-R805 PolarHBondContact O-N 3.24Å; L802-I806 HydrophobicContact CD1-CD1 3.91Å; L802-I806 HydrophobicContact CD1-CG1 4.23Å; L802-I806 HydrophobicContact CD2-CD1 4.46Å; L802-I806 HydrophobicContact CG-CD1 3.82Å; L802-I806 HydrophobicContact CG-CG1 4.47Å; L802-I806 WeakPolarHBondContact O-CB 3.39Å; L802-I806 WeakPolarHBondContact O-CG1 3.47Å; L802-I806 PolarHBondContact O-N 3.2Å; L802-I818 HydrophobicContact CD2-CD1 4.07Å; L802-I818 HydrophobicContact CG-CD1 3.99Å; L802-L921 WeakPolarHBondContact CD2-O 3.4Å; L802-V922 WeakPolarHBondContact CD1-O 3.22Å
803	S	94.5	Very high	92.6	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-58.8	-46.5	177.2	-177.9	0	0	0	0	111.4	Y799 Y800 I806 L807 A815	Y799-S803 WeakPolarHBondContact O-CB 3.38Å; Y799-S803 PolarHBondContact O-N 2.85Å; Y800-S803 PolarHBondContact O-N 3.38Å; S803-I806 PolarHBondContact O-N 3.45Å; S803-L807 WeakPolarHBondContact O-CB 3.42Å; S803-L807 PolarHBondContact O-N 3.1Å; S803-A815 WeakPolarHBondContact O-CB 3.45Å; S803-A815 PolarHBondContact OG-O 3.32Å
804	Q	93.6	Very high	92.6	Very high	62 Å²	62	45.2 Å²	45.2	29%	0.29	23%	0.227	S	C	.	.	H	α-helix	trans	-64.3	-44.6	176.9	-65.3	-175.7	19.5	0	0	111.9	Y800 I801 L802 I806 L807 Y808 L837	Y800-Q804 PolarHBondContact O-N 2.96Å; Y800-Q804 PolarHBondContact OH-NE2 3.15Å; I801-Q804 PolarHBondContact O-N 2.66Å; L802-Q804 PolarHBondContact O-N 2.92Å; Q804-I806 VanDerWaalsContact C-N 3.33Å; Q804-I806 PolarHBondContact O-N 3.46Å; Q804-L807 WeakPolarHBondContact O-CB 3.49Å; Q804-L807 PolarHBondContact O-N 2.97Å; Q804-Y808 WeakPolarHBondContact O-CD2 3.36Å; Q804-Y808 PolarHBondContact O-N 2.82Å; Q804-L837 HydrophobicContact CG-CD1 4.24Å; Q804-L837 HydrophobicContact CG-CD2 4.43Å
805	R	93.5	Very high	92.6	Very high	152 Å²	152	45.2 Å²	45.2	57%	0.574	23%	0.227	S	C	*	.	H	α-helix	trans	-57.8	-45.3	177.8	-176.9	-177.7	-67	-177.1	-3.1	111.8	I801 L802 Y808 Q809	I801-R805 WeakPolarHBondContact O-CB 3.44Å; I801-R805 PolarHBondContact O-N 2.72Å; L802-R805 PolarHBondContact O-N 3.24Å; R805-Y808 PolarHBondContact O-N 3.14Å; R805-Q809 WeakPolarHBondContact O-CG 3.17Å; R805-Q809 PolarHBondContact O-N 3.12Å; R805-Q809 VanDerWaalsContact O-N 3.09Å
806	I	92.8	Very high	92.7	Very high	12 Å²	12	43.8 Å²	43.8	6%	0.062	22%	0.221	C	C	.	.	H	α-helix	trans	-68	-37.2	179.4	-70	173.8	0	0	0	110.9	L802 S803 Q804 Q809 G810 D811 T814 A815 I818 T923	L802-I806 HydrophobicContact CD1-CD1 3.91Å; L802-I806 HydrophobicContact CD1-CG1 4.23Å; L802-I806 HydrophobicContact CD2-CD1 4.46Å; L802-I806 HydrophobicContact CG-CD1 3.82Å; L802-I806 HydrophobicContact CG-CG1 4.47Å; L802-I806 WeakPolarHBondContact O-CB 3.39Å; L802-I806 WeakPolarHBondContact O-CG1 3.47Å; L802-I806 PolarHBondContact O-N 3.2Å; S803-I806 PolarHBondContact O-N 3.45Å; Q804-I806 VanDerWaalsContact C-N 3.33Å; Q804-I806 PolarHBondContact O-N 3.46Å; I806-Q809 PolarHBondContact O-N 2.81Å; I806-G810 PolarHBondContact O-N 3.19Å; I806-D811 HydrophobicContact CG2-CB 3.85Å; I806-D811 WeakPolarHBondContact CG2-O 3.41Å; I806-D811 PolarHBondContact O-N 3.16Å; I806-T814 HydrophobicContact CD1-CG2 4.1Å; I806-T814 HydrophobicContact CG2-CG2 4.21Å; I806-A815 HydrophobicContact CB-CB 4.49Å; I806-A815 HydrophobicContact CG2-CB 4.2Å; I806-I818 HydrophobicContact CD1-CD1 3.6Å; I806-T923 WeakPolarHBondContact CD1-O 3.4Å
807	L	92.7	Very high	92.6	Very high	28 Å²	28	46 Å²	46	15%	0.147	23%	0.23	C	C	.	.	H	α-helix	trans	-60.3	-46.3	173.4	-178.1	61.3	0	0	0	111.6	S803 Q804 Q809 G810 A812 A815 L837 L840 T841	S803-L807 WeakPolarHBondContact O-CB 3.42Å; S803-L807 PolarHBondContact O-N 3.1Å; Q804-L807 WeakPolarHBondContact O-CB 3.49Å; Q804-L807 PolarHBondContact O-N 2.97Å; L807-Q809 VanDerWaalsContact C-N 3.27Å; L807-Q809 PolarHBondContact O-N 3.26Å; L807-G810 PolarHBondContact O-N 3.23Å; L807-A812 HydrophobicContact CD1-CB 4.11Å; L807-A815 HydrophobicContact CB-CB 3.89Å; L807-A815 HydrophobicContact CD1-CB 4.48Å; L807-L837 HydrophobicContact CD2-CD1 4.31Å; L807-L840 HydrophobicContact CD2-CD2 3.79Å; L807-L840 HydrophobicContact CD2-CG 4.28Å; L807-T841 HydrophobicContact CD1-CG2 4.16Å; L807-T841 HydrophobicContact CD2-CG2 4.02Å
808	Y	92.2	Very high	92.5	Very high	202 Å²	202	45.2 Å²	45.2	79%	0.792	23%	0.227	S	C	*	.	H	α-helix	trans	-67.2	-24.6	176.7	-76.4	-66.8	0	0	0	113.7	Q804 R805 G810	Q804-Y808 WeakPolarHBondContact O-CD2 3.36Å; Q804-Y808 PolarHBondContact O-N 2.82Å; R805-Y808 PolarHBondContact O-N 3.14Å; Y808-G810 PolarHBondContact O-N 2.83Å
809	Q	91.1	Very high	92.4	Very high	146 Å²	146	44.5 Å²	44.5	68%	0.682	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-9.1	171.7	-72.1	172.9	-4.1	0	0	113.2	R805 I806 L807	R805-Q809 WeakPolarHBondContact O-CG 3.17Å; R805-Q809 PolarHBondContact O-N 3.12Å; R805-Q809 VanDerWaalsContact O-N 3.09Å; I806-Q809 PolarHBondContact O-N 2.81Å; L807-Q809 VanDerWaalsContact C-N 3.27Å; L807-Q809 PolarHBondContact O-N 3.26Å
810	G	89.1	Confident	92.3	Very high	66 Å²	66	45.2 Å²	45.2	68%	0.68	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	97.1	0.1	176.6	0	0	0	0	0	115.6	I806 L807 Y808 A812	I806-G810 PolarHBondContact O-N 3.19Å; L807-G810 PolarHBondContact O-N 3.23Å; Y808-G810 PolarHBondContact O-N 2.83Å; G810-A812 PolarHBondContact O-N 3.21Å
811	D	90.7	Very high	92.2	Very high	62 Å²	62	45 Å²	45	33%	0.332	23%	0.229	S	C	.	.			trans	-92.8	72.7	176.5	-174.8	-0.8	0	0	0	111.3	I806 A813 T814 A815	I806-D811 HydrophobicContact CG2-CB 3.85Å; I806-D811 WeakPolarHBondContact CG2-O 3.41Å; I806-D811 PolarHBondContact O-N 3.16Å; D811-A813 PolarHBondContact O-N 3.47Å; D811-A813 PolarHBondContact OD1-N 3.35Å; D811-T814 VanDerWaalsContact CG-OG1 3.25Å; D811-T814 PolarHBondContact O-N 2.94Å; D811-T814 PolarHBondContact OD1-N 2.73Å; D811-T814 PolarHBondContact OD1-OG1 2.95Å; D811-T814 VanDerWaalsContact OD2-CB 3.23Å; D811-T814 WeakPolarHBondContact OD2-CB 3.35Å; D811-T814 PolarHBondContact OD2-OG1 3.15Å; D811-A815 PolarHBondContact O-N 2.65Å; D811-A815 VanDerWaalsContact O-N 3.13Å
812	A	91	Very high	92.1	Very high	15 Å²	15	43.2 Å²	43.2	12%	0.124	22%	0.22	C	C	.	.	H	α-helix	trans	-59.9	-30.1	179.8	0	0	0	0	0	113.1	L807 G810 A815 M816 N844 C845	L807-A812 HydrophobicContact CD1-CB 4.11Å; G810-A812 PolarHBondContact O-N 3.21Å; A812-A815 PolarHBondContact O-N 3.24Å; A812-M816 WeakPolarHBondContact O-CB 3.2Å; A812-M816 PolarHBondContact O-N 3.43Å; A812-N844 HydrophobicContact CB-CB 3.82Å; A812-C845 HydrophobicContact CB-CB 4.16Å
813	A	89.6	Confident	92	Very high	40 Å²	40	48.2 Å²	48.2	33%	0.331	24%	0.238	S	C	.	.	H	α-helix	trans	-67.4	-47.7	-179.1	0	0	0	0	0	111.3	D811 M816 K817	D811-A813 PolarHBondContact O-N 3.47Å; D811-A813 PolarHBondContact OD1-N 3.35Å; A813-M816 PolarHBondContact O-N 3.32Å; A813-K817 WeakPolarHBondContact O-CG 3.39Å; A813-K817 PolarHBondContact O-N 2.97Å
814	T	89.8	Confident	91.8	Very high	8 Å²	8	52 Å²	52	5%	0.049	26%	0.258	C	S	.	.	H	α-helix	trans	-67.9	-37.9	176	-57.3	0	0	0	0	111.4	I806 D811 M816 K817 I818 T923 K925	I806-T814 HydrophobicContact CD1-CG2 4.1Å; I806-T814 HydrophobicContact CG2-CG2 4.21Å; D811-T814 VanDerWaalsContact CG-OG1 3.25Å; D811-T814 PolarHBondContact O-N 2.94Å; D811-T814 PolarHBondContact OD1-N 2.73Å; D811-T814 PolarHBondContact OD1-OG1 2.95Å; D811-T814 VanDerWaalsContact OD2-CB 3.23Å; D811-T814 WeakPolarHBondContact OD2-CB 3.35Å; D811-T814 PolarHBondContact OD2-OG1 3.15Å; T814-M816 VanDerWaalsContact C-N 3.32Å; T814-M816 PolarHBondContact O-N 3.46Å; T814-K817 WeakPolarHBondContact O-CB 3.27Å; T814-K817 PolarHBondContact O-N 3.48Å; T814-K817 VanDerWaalsContact O-N 3.14Å; T814-I818 HydrophobicContact CG2-CD1 4.5Å; T814-I818 PolarHBondContact O-N 3.47Å; T814-T923 WeakPolarHBondContact CG2-O 3.3Å; T814-K925 HydrophobicContact CG2-CG 4.25Å
815	A	93	Very high	91.7	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-58.6	-41.9	175.1	0	0	0	0	0	112.6	S803 I806 L807 D811 A812 K817 I818 A819 T841	S803-A815 WeakPolarHBondContact O-CB 3.45Å; S803-A815 PolarHBondContact OG-O 3.32Å; I806-A815 HydrophobicContact CB-CB 4.49Å; I806-A815 HydrophobicContact CG2-CB 4.2Å; L807-A815 HydrophobicContact CB-CB 3.89Å; L807-A815 HydrophobicContact CD1-CB 4.48Å; D811-A815 PolarHBondContact O-N 2.65Å; D811-A815 VanDerWaalsContact O-N 3.13Å; A812-A815 PolarHBondContact O-N 3.24Å; A815-K817 VanDerWaalsContact C-N 3.34Å; A815-K817 PolarHBondContact O-N 2.91Å; A815-I818 PolarHBondContact O-N 3.19Å; A815-A819 PolarHBondContact O-N 3.38Å; A815-T841 HydrophobicContact CB-CG2 3.78Å
816	M	93.4	Very high	91.6	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-60.4	-39.8	175.1	-175.6	-165.6	70.5	0	0	112.4	A812 A813 T814 I818 A819 L820 L838 T841 C845 Y847 I850 Y906	A812-M816 WeakPolarHBondContact O-CB 3.2Å; A812-M816 PolarHBondContact O-N 3.43Å; A813-M816 PolarHBondContact O-N 3.32Å; T814-M816 VanDerWaalsContact C-N 3.32Å; T814-M816 PolarHBondContact O-N 3.46Å; M816-I818 VanDerWaalsContact C-N 3.3Å; M816-I818 PolarHBondContact O-N 2.97Å; M816-A819 PolarHBondContact O-N 3.43Å; M816-L820 PolarHBondContact O-N 3.09Å; M816-L838 HydrophobicContact CG-CD1 4.19Å; M816-T841 WeakPolarHBondContact CA-OG1 3.27Å; M816-C845 PolarHBondContact SD-SG 2.88Å; M816-Y847 HydrophobicContact CE-CD1 4.08Å; M816-Y847 HydrophobicContact CE-CD2 4.1Å; M816-Y847 HydrophobicContact CE-CE1 4.3Å; M816-Y847 HydrophobicContact CE-CE2 4.31Å; M816-Y847 HydrophobicContact CE-CG 3.96Å; M816-Y847 HydrophobicContact SD-CD1 4.4Å; M816-Y847 HydrophobicContact SD-CD2 4.14Å; M816-Y847 HydrophobicContact SD-CG 3.84Å; M816-I850 HydrophobicContact CE-CD1 4.18Å; M816-I850 HydrophobicContact SD-CD1 4.12Å; M816-Y906 HydrophobicContact CE-CD1 4.36Å; M816-Y906 HydrophobicContact CE-CG 4.36Å
817	K	91.1	Very high	91.3	Very high	47 Å²	47	50.1 Å²	50.1	20%	0.204	26%	0.258	C	S	.	.	H	α-helix	trans	-60.8	-42.9	178	-59.3	-176.5	179.6	-169.4	0	111.5	A813 T814 A815 L820 L821 S905	A813-K817 WeakPolarHBondContact O-CG 3.39Å; A813-K817 PolarHBondContact O-N 2.97Å; T814-K817 WeakPolarHBondContact O-CB 3.27Å; T814-K817 PolarHBondContact O-N 3.48Å; T814-K817 VanDerWaalsContact O-N 3.14Å; A815-K817 VanDerWaalsContact C-N 3.34Å; A815-K817 PolarHBondContact O-N 2.91Å; K817-L820 PolarHBondContact O-N 3.39Å; K817-L821 PolarHBondContact O-N 3.38Å; K817-L821 VanDerWaalsContact O-N 3.13Å; K817-S905 WeakPolarHBondContact CD-O 3.49Å; K817-S905 VanDerWaalsContact CE-O 3.24Å; K817-S905 WeakPolarHBondContact CE-O 3.2Å; K817-S905 PolarHBondContact NZ-O 3.43Å; K817-S905 PolarHBondContact NZ-OG 3.3Å; K817-S905 VanDerWaalsContact NZ-OG 3.08Å
818	I	92.2	Very high	91.1	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-69.5	-39.6	177.7	-55.4	166.6	0	0	0	110	Y799 L802 I806 T814 A815 M816 L820 L821 L822	Y799-I818 HydrophobicContact CD1-CG2 4.23Å; Y799-I818 HydrophobicContact CG-CG2 4.35Å; Y799-I818 WeakPolarHBondContact O-CG2 3.4Å; L802-I818 HydrophobicContact CD2-CD1 4.07Å; L802-I818 HydrophobicContact CG-CD1 3.99Å; I806-I818 HydrophobicContact CD1-CD1 3.6Å; T814-I818 HydrophobicContact CG2-CD1 4.5Å; T814-I818 PolarHBondContact O-N 3.47Å; A815-I818 PolarHBondContact O-N 3.19Å; M816-I818 VanDerWaalsContact C-N 3.3Å; M816-I818 PolarHBondContact O-N 2.97Å; I818-L820 VanDerWaalsContact C-N 3.28Å; I818-L820 PolarHBondContact O-N 2.96Å; I818-L821 WeakPolarHBondContact O-CB 3.34Å; I818-L821 PolarHBondContact O-N 3.48Å; I818-L821 VanDerWaalsContact O-N 3.08Å; I818-L822 WeakPolarHBondContact O-CG 3.48Å; I818-L822 PolarHBondContact O-N 2.98Å
819	A	93.5	Very high	91	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.3	-36.5	174.4	0	0	0	0	0	112.7	A815 M816 L822 L837 L838	A815-A819 PolarHBondContact O-N 3.38Å; M816-A819 PolarHBondContact O-N 3.43Å; A819-L822 PolarHBondContact O-N 2.93Å; A819-L837 HydrophobicContact CB-CD2 4.49Å; A819-L837 HydrophobicContact CB-CG 4.25Å; A819-L838 HydrophobicContact CB-CB 4.19Å; A819-L838 HydrophobicContact CB-CD1 3.95Å
820	L	92.4	Very high	90.9	Very high	29 Å²	29	38.2 Å²	38.2	15%	0.152	21%	0.21	C	C	.	.	H	α-helix	trans	-66.1	-39.1	172.2	-75.4	168.7	0	0	0	112.7	M816 K817 I818 L822 R823 L838 I850 Y906	M816-L820 PolarHBondContact O-N 3.09Å; K817-L820 PolarHBondContact O-N 3.39Å; I818-L820 VanDerWaalsContact C-N 3.28Å; I818-L820 PolarHBondContact O-N 2.96Å; L820-L822 VanDerWaalsContact C-N 3.3Å; L820-R823 WeakPolarHBondContact O-CB 3.34Å; L820-R823 WeakPolarHBondContact O-CG 3.49Å; L820-R823 PolarHBondContact O-N 3.09Å; L820-L838 HydrophobicContact CD2-CD1 3.72Å; L820-L838 HydrophobicContact CD2-CD2 3.93Å; L820-L838 HydrophobicContact CD2-CG 4.49Å; L820-L838 HydrophobicContact CG-CD1 3.71Å; L820-I850 HydrophobicContact CD1-CD1 4.29Å; L820-I850 HydrophobicContact CD2-CG2 4.05Å; L820-Y906 HydrophobicContact CD1-CD2 3.63Å; L820-Y906 HydrophobicContact CD1-CE2 4.45Å; L820-Y906 HydrophobicContact CD1-CG 4.07Å
821	L	91.7	Very high	91	Very high	23 Å²	23	35.8 Å²	35.8	12%	0.12	18%	0.183	C	C	.	.	H	α-helix	trans	-64.6	-34.8	175.3	179.5	68.1	0	0	0	111.9	Y799 K817 I818 R823 D824 Y825 V919	Y799-L821 HydrophobicContact CD1-CD2 4.28Å; Y799-L821 HydrophobicContact CD2-CD2 3.92Å; Y799-L821 HydrophobicContact CE1-CD2 4.29Å; Y799-L821 HydrophobicContact CE2-CD2 3.91Å; Y799-L821 HydrophobicContact CG-CD2 4.12Å; K817-L821 PolarHBondContact O-N 3.38Å; K817-L821 VanDerWaalsContact O-N 3.13Å; I818-L821 WeakPolarHBondContact O-CB 3.34Å; I818-L821 PolarHBondContact O-N 3.48Å; I818-L821 VanDerWaalsContact O-N 3.08Å; L821-R823 PolarHBondContact O-N 3.18Å; L821-R823 VanDerWaalsContact O-N 3.15Å; L821-D824 PolarHBondContact O-N 3.04Å; L821-D824 VanDerWaalsContact O-N 3.12Å; L821-Y825 HydrophobicContact CG-CE2 4.38Å; L821-V919 HydrophobicContact CD2-CB 4.38Å; L821-V919 HydrophobicContact CD2-CG1 4.32Å; L821-V919 HydrophobicContact CD2-CG2 4.08Å
822	L	93.3	Very high	91.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-63.3	-18.9	-179.1	-73.9	168.9	0	0	0	113.7	A796 Y800 I818 A819 L820 D824 Y825 I829 I834 L837	A796-L822 WeakPolarHBondContact O-CD2 2.99Å; Y800-L822 HydrophobicContact CD2-CD1 4.11Å; I818-L822 WeakPolarHBondContact O-CG 3.48Å; I818-L822 PolarHBondContact O-N 2.98Å; A819-L822 PolarHBondContact O-N 2.93Å; L820-L822 VanDerWaalsContact C-N 3.3Å; L822-D824 PolarHBondContact O-N 2.92Å; L822-Y825 HydrophobicContact CD2-CD2 4.49Å; L822-Y825 WeakPolarHBondContact O-CA 3.44Å; L822-Y825 PolarHBondContact O-N 2.85Å; L822-I829 HydrophobicContact CD2-CD1 4.16Å; L822-I834 HydrophobicContact CB-CG1 4.4Å; L822-I834 HydrophobicContact CB-CG2 3.81Å; L822-I834 WeakPolarHBondContact O-CD1 3.4Å; L822-L837 HydrophobicContact CD1-CD2 4.19Å
823	R	91.5	Very high	91.1	Very high	117 Å²	117	37.9 Å²	37.9	44%	0.442	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-59.1	-26.1	172.6	-65.5	174.6	52.6	-152.6	-10.5	113.5	L820 L821 Y825 E826 I834 Y835	L820-R823 WeakPolarHBondContact O-CB 3.34Å; L820-R823 WeakPolarHBondContact O-CG 3.49Å; L820-R823 PolarHBondContact O-N 3.09Å; L821-R823 PolarHBondContact O-N 3.18Å; L821-R823 VanDerWaalsContact O-N 3.15Å; R823-Y825 PolarHBondContact O-N 3.43Å; R823-E826 WeakPolarHBondContact O-CG 3.43Å; R823-I834 HydrophobicContact CG-CG2 4.31Å; R823-Y835 HydrophobicContact CG-CE1 4.31Å
824	D	89.5	Confident	91.4	Very high	79 Å²	79	36 Å²	36	42%	0.422	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-74.6	-1.6	175.2	-72.7	0.3	0	0	0	112.3	R792 L821 L822 R909	R792-D824 PolarHBondContact NH2-O 3.07Å; L821-D824 PolarHBondContact O-N 3.04Å; L821-D824 VanDerWaalsContact O-N 3.12Å; L822-D824 PolarHBondContact O-N 2.92Å; D824-R909 IonicContact OD2-NH2 3.22Å; D824-R909 PolarHBondContact OD2-NH2 3.15Å; D824-R909 VanDerWaalsContact OD2-NH2 3.12Å
825	Y	91.7	Very high	91.6	Very high	23 Å²	23	36.4 Å²	36.4	9%	0.09	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-124.6	25.9	-175.6	-56.6	-91.9	0	0	0	113.6	R792 Q795 A796 L821 L822 R823 D827 K828 I829	R792-Y825 HydrophobicContact CG-CD1 3.97Å; R792-Y825 HydrophobicContact CG-CE1 3.73Å; Q795-Y825 HydrophobicContact CB-CE1 4.1Å; Q795-Y825 PolarHBondContact OE1-OH 3.36Å; A796-Y825 HydrophobicContact CB-CD1 3.54Å; A796-Y825 HydrophobicContact CB-CE1 4.22Å; A796-Y825 HydrophobicContact CB-CG 3.81Å; L821-Y825 HydrophobicContact CG-CE2 4.38Å; L822-Y825 HydrophobicContact CD2-CD2 4.49Å; L822-Y825 WeakPolarHBondContact O-CA 3.44Å; L822-Y825 PolarHBondContact O-N 2.85Å; R823-Y825 PolarHBondContact O-N 3.43Å; Y825-D827 PolarHBondContact O-N 2.8Å; Y825-D827 VanDerWaalsContact O-N 3.1Å; Y825-K828 PolarHBondContact O-N 3.3Å; Y825-I829 PolarHBondContact O-N 3.05Å; Y825-I829 VanDerWaalsContact O-N 3.08Å
826	E	90.8	Very high	91.7	Very high	77 Å²	77	38.3 Å²	38.3	36%	0.36	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-18.1	176.7	-74.5	175.4	-158	0	0	114.1	R823 A831 I834 Y835	R823-E826 WeakPolarHBondContact O-CG 3.43Å; E826-A831 HydrophobicContact CB-CB 4.44Å; E826-A831 HydrophobicContact CG-CB 4.09Å; E826-I834 HydrophobicContact CG-CD1 4.23Å; E826-Y835 WeakPolarHBondContact OE1-CE2 3.33Å; E826-Y835 PolarHBondContact OE1-OH 3.35Å
827	D	87.7	Confident	91.8	Very high	87 Å²	87	39 Å²	39	47%	0.465	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-12.3	175.2	70.6	-59.8	0	0	0	113.8	R792 Y825	R792-D827 IonicContact CZ-OD1 2.65Å; R792-D827 VanDerWaalsContact CZ-OD1 3.23Å; R792-D827 IonicContact CZ-OD2 3.32Å; R792-D827 IonicContact NH1-OD1 3.74Å; R792-D827 PolarHBondContact NH1-OD1 2.81Å; R792-D827 IonicContact NH1-OD2 2.76Å; R792-D827 PolarHBondContact NH1-OD2 3.14Å; R792-D827 IonicContact NH2-OD1 2.8Å; R792-D827 PolarHBondContact NH2-OD1 3.34Å; R792-D827 IonicContact NH2-OD2 3.04Å; Y825-D827 PolarHBondContact O-N 2.8Å; Y825-D827 VanDerWaalsContact O-N 3.1Å
828	K	87.5	Confident	92	Very high	52 Å²	52	37 Å²	37	23%	0.226	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-37.5	179.4	-57	-53.5	-177.2	-141.4	0	112.6	D788 A796 Y797 Y825	D788-K828 IonicContact OD2-NZ 3.95Å; D788-K828 PolarHBondContact OD2-NZ 3.16Å; A796-K828 HydrophobicContact CB-CB 3.97Å; A796-K828 HydrophobicContact CB-CG 4.38Å; Y797-K828 PolarHBondContact OH-O 2.81Å; Y797-K828 VanDerWaalsContact OH-O 3.07Å; Y825-K828 PolarHBondContact O-N 3.3Å
829	I	90	Very high	92.1	Very high	6 Å²	6	37.2 Å²	37.2	3%	0.031	19%	0.185	C	C	.	.	S	Bend	trans	-115.6	140.5	-179.1	-58.8	178.1	0	0	0	108.1	A796 Y797 Y800 L822 Y825 A831 I834	A796-I829 HydrophobicContact CB-CD1 4.01Å; A796-I829 HydrophobicContact CB-CG1 4.26Å; Y797-I829 HydrophobicContact CD1-CD1 4.37Å; Y797-I829 HydrophobicContact CD1-CG1 4.31Å; Y797-I829 HydrophobicContact CE1-CG1 4.05Å; Y800-I829 HydrophobicContact CD2-CD1 4.08Å; Y800-I829 HydrophobicContact CD2-CG2 4.2Å; Y800-I829 HydrophobicContact CE2-CG2 4.16Å; Y800-I829 HydrophobicContact CG-CD1 3.9Å; L822-I829 HydrophobicContact CD2-CD1 4.16Å; Y825-I829 PolarHBondContact O-N 3.05Å; Y825-I829 VanDerWaalsContact O-N 3.08Å; I829-A831 PolarHBondContact O-N 3.49Å; I829-A831 VanDerWaalsContact O-N 3.1Å; I829-I834 HydrophobicContact CB-CD1 3.87Å; I829-I834 HydrophobicContact CB-CG1 4.07Å; I829-I834 HydrophobicContact CG2-CD1 4.12Å; I829-I834 HydrophobicContact CG2-CG1 3.74Å
830	N	89.5	Confident	92.1	Very high	68 Å²	68	41.6 Å²	41.6	36%	0.364	21%	0.207	S	C	.	.			trans	-53.6	120.5	177.2	-178.8	0.3	0	0	0	109.8	E832 E833 I834	N830-E832 PolarHBondContact O-N 3.43Å; N830-E832 VanDerWaalsContact O-N 3.16Å; N830-E832 PolarHBondContact OD1-N 2.98Å; N830-E833 HydrophobicContact CB-CG 4.09Å; N830-E833 WeakPolarHBondContact O-CB 3.43Å; N830-E833 PolarHBondContact O-N 2.58Å; N830-I834 PolarHBondContact O-N 3.12Å
831	A	92.1	Very high	92.2	Very high	15 Å²	15	40.2 Å²	40.2	12%	0.124	20%	0.2	C	C	.	.	H	α-helix	trans	-57.1	-34	-176.3	0	0	0	0	0	112	E826 I829 E833 I834 Y835 M861	E826-A831 HydrophobicContact CB-CB 4.44Å; E826-A831 HydrophobicContact CG-CB 4.09Å; I829-A831 PolarHBondContact O-N 3.49Å; I829-A831 VanDerWaalsContact O-N 3.1Å; A831-E833 VanDerWaalsContact C-N 3.3Å; A831-E833 PolarHBondContact O-N 2.93Å; A831-I834 PolarHBondContact O-N 3.12Å; A831-Y835 HydrophobicContact CB-CD2 4.32Å; A831-Y835 HydrophobicContact CB-CE2 4.39Å; A831-Y835 WeakPolarHBondContact O-CD2 3.49Å; A831-Y835 PolarHBondContact O-N 3.15Å; A831-M861 HydrophobicContact CB-CE 3.46Å; A831-M861 VanDerWaalsContact CB-CE 3.46Å; A831-M861 HydrophobicContact CB-SD 4.17Å
832	E	91.4	Very high	92.3	Very high	37 Å²	37	39.1 Å²	39.1	17%	0.173	19%	0.194	C	C	.	.	H	α-helix	trans	-59.7	-38.8	175.9	-173.3	175.3	-163	0	0	112.4	N830 S836 L858 R865 Y873	N830-E832 PolarHBondContact O-N 3.43Å; N830-E832 VanDerWaalsContact O-N 3.16Å; N830-E832 PolarHBondContact OD1-N 2.98Å; E832-S836 WeakPolarHBondContact O-CB 3.12Å; E832-S836 PolarHBondContact O-N 3.09Å; E832-S836 PolarHBondContact O-OG 2.86Å; E832-L858 HydrophobicContact CG-CD2 4.19Å; E832-R865 IonicContact OE2-CZ 2.91Å; E832-R865 IonicContact OE2-NH1 2.77Å; E832-R865 PolarHBondContact OE2-NH1 2.79Å; E832-R865 IonicContact OE2-NH2 3.64Å; E832-Y873 PolarHBondContact OE1-OH 3.46Å
833	E	92.4	Very high	92.2	Very high	84 Å²	84	41 Å²	41	39%	0.393	21%	0.207	S	C	.	.	H	α-helix	trans	-69.5	-41.8	176.1	-65	-179.5	-165	0	0	111.7	Y800 N830 A831 S836 L837	Y800-E833 HydrophobicContact CE2-CB 4.3Å; Y800-E833 VanDerWaalsContact CZ-OE2 3.31Å; Y800-E833 PolarHBondContact OH-OE2 2.95Å; N830-E833 HydrophobicContact CB-CG 4.09Å; N830-E833 WeakPolarHBondContact O-CB 3.43Å; N830-E833 PolarHBondContact O-N 2.58Å; A831-E833 VanDerWaalsContact C-N 3.3Å; A831-E833 PolarHBondContact O-N 2.93Å; E833-S836 PolarHBondContact O-N 3.32Å; E833-L837 WeakPolarHBondContact O-CB 3.44Å; E833-L837 PolarHBondContact O-N 3.43Å
834	I	94.4	Very high	92.2	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-60.7	-49.1	177.9	-61.4	172.8	0	0	0	109.9	L822 R823 E826 I829 N830 A831 L837 L838	L822-I834 HydrophobicContact CB-CG1 4.4Å; L822-I834 HydrophobicContact CB-CG2 3.81Å; L822-I834 WeakPolarHBondContact O-CD1 3.4Å; R823-I834 HydrophobicContact CG-CG2 4.31Å; E826-I834 HydrophobicContact CG-CD1 4.23Å; I829-I834 HydrophobicContact CB-CD1 3.87Å; I829-I834 HydrophobicContact CB-CG1 4.07Å; I829-I834 HydrophobicContact CG2-CD1 4.12Å; I829-I834 HydrophobicContact CG2-CG1 3.74Å; N830-I834 PolarHBondContact O-N 3.12Å; A831-I834 PolarHBondContact O-N 3.12Å; I834-L837 PolarHBondContact O-N 3.37Å; I834-L838 WeakPolarHBondContact O-CB 3.43Å; I834-L838 PolarHBondContact O-N 3.38Å
835	Y	95.5	Very high	92.2	Very high	16 Å²	16	38 Å²	38	6%	0.063	20%	0.202	C	C	.	.	H	α-helix	trans	-72.6	-31.1	-178.7	-74.6	-70.5	0	0	0	112.8	R823 E826 A831 L838 A839 K857 M861	R823-Y835 HydrophobicContact CG-CE1 4.31Å; E826-Y835 WeakPolarHBondContact OE1-CE2 3.33Å; E826-Y835 PolarHBondContact OE1-OH 3.35Å; A831-Y835 HydrophobicContact CB-CD2 4.32Å; A831-Y835 HydrophobicContact CB-CE2 4.39Å; A831-Y835 WeakPolarHBondContact O-CD2 3.49Å; A831-Y835 PolarHBondContact O-N 3.15Å; Y835-L838 HydrophobicContact CD1-CD2 4.22Å; Y835-L838 HydrophobicContact CE1-CD2 4.48Å; Y835-L838 PolarHBondContact O-N 2.96Å; Y835-A839 WeakPolarHBondContact O-CB 3.43Å; Y835-A839 PolarHBondContact O-N 3.5Å; Y835-K857 HydrophobicContact CD1-CB 4.05Å; Y835-K857 HydrophobicContact CD1-CG 4.1Å; Y835-K857 HydrophobicContact CD2-CB 4.47Å; Y835-K857 HydrophobicContact CD2-CG 3.8Å; Y835-K857 HydrophobicContact CE1-CB 4.12Å; Y835-K857 HydrophobicContact CE1-CG 3.9Å; Y835-K857 HydrophobicContact CE2-CD 4.49Å; Y835-K857 HydrophobicContact CE2-CG 3.63Å; Y835-K857 HydrophobicContact CG-CB 4.23Å; Y835-K857 HydrophobicContact CG-CG 4.05Å; Y835-M861 HydrophobicContact CD2-CE 3.95Å; Y835-M861 HydrophobicContact CD2-SD 4.21Å; Y835-M861 HydrophobicContact CE2-CE 3.94Å
836	S	94.5	Very high	92.1	Very high	41 Å²	41	37.9 Å²	37.9	29%	0.287	21%	0.208	S	C	.	.	H	α-helix	trans	-65.6	-44.3	171.5	-64	0	0	0	0	111.7	E832 E833 L838 A839 L840	E832-S836 WeakPolarHBondContact O-CB 3.12Å; E832-S836 PolarHBondContact O-N 3.09Å; E832-S836 PolarHBondContact O-OG 2.86Å; E833-S836 PolarHBondContact O-N 3.32Å; S836-L838 VanDerWaalsContact C-N 3.32Å; S836-L838 PolarHBondContact O-N 3.08Å; S836-A839 PolarHBondContact O-N 2.91Å; S836-L840 WeakPolarHBondContact O-CB 3.49Å; S836-L840 PolarHBondContact O-N 3.23Å
837	L	94.7	Very high	92.1	Very high	16 Å²	16	35.3 Å²	35.3	8%	0.084	20%	0.195	C	C	.	.	H	α-helix	trans	-63.4	-39.1	173.9	-178.2	62.3	0	0	0	111.5	Y800 Q804 L807 A819 L822 E833 I834 L840 T841	Y800-L837 HydrophobicContact CD2-CD2 4.24Å; Y800-L837 HydrophobicContact CE2-CD2 4.32Å; Q804-L837 HydrophobicContact CG-CD1 4.24Å; Q804-L837 HydrophobicContact CG-CD2 4.43Å; L807-L837 HydrophobicContact CD2-CD1 4.31Å; A819-L837 HydrophobicContact CB-CD2 4.49Å; A819-L837 HydrophobicContact CB-CG 4.25Å; L822-L837 HydrophobicContact CD1-CD2 4.19Å; E833-L837 WeakPolarHBondContact O-CB 3.44Å; E833-L837 PolarHBondContact O-N 3.43Å; I834-L837 PolarHBondContact O-N 3.37Å; L837-L840 PolarHBondContact O-N 2.91Å; L837-T841 HydrophobicContact CD1-CG2 4.03Å; L837-T841 HydrophobicContact CG-CG2 4.38Å; L837-T841 WeakPolarHBondContact O-CB 3.34Å; L837-T841 VanDerWaalsContact O-CG2 3.26Å; L837-T841 WeakPolarHBondContact O-CG2 3.12Å; L837-T841 PolarHBondContact O-N 3.21Å; L837-T841 PolarHBondContact O-OG1 3.28Å
838	L	95.1	Very high	92.3	Very high	5 Å²	5	32.6 Å²	32.6	3%	0.026	18%	0.179	C	C	.	.	H	α-helix	trans	-65	-44.1	175.7	-177	60.1	0	0	0	111.8	M816 A819 L820 I834 Y835 S836 T841 S842 I850 A854	M816-L838 HydrophobicContact CG-CD1 4.19Å; A819-L838 HydrophobicContact CB-CB 4.19Å; A819-L838 HydrophobicContact CB-CD1 3.95Å; L820-L838 HydrophobicContact CD2-CD1 3.72Å; L820-L838 HydrophobicContact CD2-CD2 3.93Å; L820-L838 HydrophobicContact CD2-CG 4.49Å; L820-L838 HydrophobicContact CG-CD1 3.71Å; I834-L838 WeakPolarHBondContact O-CB 3.43Å; I834-L838 PolarHBondContact O-N 3.38Å; Y835-L838 HydrophobicContact CD1-CD2 4.22Å; Y835-L838 HydrophobicContact CE1-CD2 4.48Å; Y835-L838 PolarHBondContact O-N 2.96Å; S836-L838 VanDerWaalsContact C-N 3.32Å; S836-L838 PolarHBondContact O-N 3.08Å; L838-T841 PolarHBondContact O-OG1 3.13Å; L838-S842 WeakPolarHBondContact O-CB 2.58Å; L838-S842 PolarHBondContact O-N 3.36Å; L838-S842 PolarHBondContact O-OG 3.42Å; L838-I850 HydrophobicContact CD1-CG2 3.99Å; L838-I850 HydrophobicContact CD2-CG2 4.45Å; L838-I850 HydrophobicContact CG-CG2 4.31Å; L838-A854 HydrophobicContact CB-CB 4.32Å; L838-A854 HydrophobicContact CD2-CB 4.15Å; L838-A854 HydrophobicContact CG-CB 4.08Å
839	A	94.3	Very high	92.5	Very high	6 Å²	6	31.8 Å²	31.8	5%	0.05	18%	0.18	C	C	.	.	H	α-helix	trans	-61.3	-46.1	175.6	0	0	0	0	0	111.3	Y835 S836 S842 C843 A854 F855 L858	Y835-A839 WeakPolarHBondContact O-CB 3.43Å; Y835-A839 PolarHBondContact O-N 3.5Å; S836-A839 PolarHBondContact O-N 2.91Å; A839-S842 PolarHBondContact O-OG 3.21Å; A839-C843 WeakPolarHBondContact O-CB 3.4Å; A839-C843 PolarHBondContact O-N 3.37Å; A839-A854 HydrophobicContact CB-CB 3.98Å; A839-F855 HydrophobicContact CB-CD2 4.46Å; A839-F855 HydrophobicContact CB-CE2 4.22Å; A839-F855 HydrophobicContact CB-CZ 4.33Å; A839-L858 HydrophobicContact CB-CD1 4.19Å
840	L	94.2	Very high	92.6	Very high	91 Å²	91	32.2 Å²	32.2	48%	0.476	18%	0.182	S	C	.	.	H	α-helix	trans	-62.1	-50.3	178.5	-178.8	65.5	0	0	0	112.4	L807 S836 L837 N844	L807-L840 HydrophobicContact CD2-CD2 3.79Å; L807-L840 HydrophobicContact CD2-CG 4.28Å; S836-L840 WeakPolarHBondContact O-CB 3.49Å; S836-L840 PolarHBondContact O-N 3.23Å; L837-L840 PolarHBondContact O-N 2.91Å; L840-N844 WeakPolarHBondContact O-CB 3.44Å; L840-N844 PolarHBondContact O-N 2.95Å; L840-N844 VanDerWaalsContact O-N 3.07Å
841	T	94.3	Very high	92.7	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-66.7	-42.4	-178	52.1	0	0	0	0	112	L807 A815 M816 L837 L838 N844 C845	L807-T841 HydrophobicContact CD1-CG2 4.16Å; L807-T841 HydrophobicContact CD2-CG2 4.02Å; A815-T841 HydrophobicContact CB-CG2 3.78Å; M816-T841 WeakPolarHBondContact CA-OG1 3.27Å; L837-T841 HydrophobicContact CD1-CG2 4.03Å; L837-T841 HydrophobicContact CG-CG2 4.38Å; L837-T841 WeakPolarHBondContact O-CB 3.34Å; L837-T841 VanDerWaalsContact O-CG2 3.26Å; L837-T841 WeakPolarHBondContact O-CG2 3.12Å; L837-T841 PolarHBondContact O-N 3.21Å; L837-T841 PolarHBondContact O-OG1 3.28Å; L838-T841 PolarHBondContact O-OG1 3.13Å; T841-N844 PolarHBondContact O-N 2.91Å; T841-C845 PolarHBondContact O-N 3.22Å; T841-C845 PolarHBondContact O-SG 2.94Å
842	S	93.4	Very high	92.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-69	-35.5	178	60.5	0	0	0	0	113.1	L838 A839 C845 G846 Y847 C851	L838-S842 WeakPolarHBondContact O-CB 2.58Å; L838-S842 PolarHBondContact O-N 3.36Å; L838-S842 PolarHBondContact O-OG 3.42Å; A839-S842 PolarHBondContact O-OG 3.21Å; S842-C845 PolarHBondContact O-SG 3.26Å; S842-G846 PolarHBondContact O-N 2.85Å; S842-G846 VanDerWaalsContact O-N 3.13Å; S842-Y847 PolarHBondContact O-N 2.7Å; S842-C851 WeakPolarHBondContact OG-CA 3.4Å; S842-C851 VanDerWaalsContact OG-CB 3.22Å; S842-C851 WeakPolarHBondContact OG-CB 3.43Å; S842-C851 PolarHBondContact OG-N 3.4Å
843	C	92.6	Very high	92.9	Very high	41 Å²	41	34.6 Å²	34.6	28%	0.277	19%	0.189	S	C	.	.	H	α-helix	trans	-64	-43.4	172.2	-168.8	0	0	0	0	111.5	A839 C845 G846	A839-C843 WeakPolarHBondContact O-CB 3.4Å; A839-C843 PolarHBondContact O-N 3.37Å; C843-C845 VanDerWaalsContact C-N 3.34Å; C843-C845 PolarHBondContact O-N 3.31Å; C843-G846 PolarHBondContact O-N 2.9Å
844	N	90.8	Very high	93	Very high	101 Å²	101	30.6 Å²	30.6	54%	0.54	17%	0.171	S	C	.	.	H	α-helix	trans	-68.3	-27.8	-179.4	-79.2	-13.6	0	0	0	114.1	A812 L840 T841	A812-N844 HydrophobicContact CB-CB 3.82Å; L840-N844 WeakPolarHBondContact O-CB 3.44Å; L840-N844 PolarHBondContact O-N 2.95Å; L840-N844 VanDerWaalsContact O-N 3.07Å; T841-N844 PolarHBondContact O-N 2.91Å
845	C	89.7	Confident	92.9	Very high	31 Å²	31	31.1 Å²	31.1	21%	0.209	17%	0.173	C	C	.	.	H	α-helix	trans	-98.1	-0.6	177	67.6	0	0	0	0	114.2	A812 M816 T841 S842 C843 Y847	A812-C845 HydrophobicContact CB-CB 4.16Å; M816-C845 PolarHBondContact SD-SG 2.88Å; T841-C845 PolarHBondContact O-N 3.22Å; T841-C845 PolarHBondContact O-SG 2.94Å; S842-C845 PolarHBondContact O-SG 3.26Å; C843-C845 VanDerWaalsContact C-N 3.34Å; C843-C845 PolarHBondContact O-N 3.31Å; C845-Y847 HydrophobicContact CB-CD2 4.3Å; C845-Y847 WeakPolarHBondContact SG-CD2 3.39Å
846	G	89.2	Confident	92.8	Very high	20 Å²	20	33.6 Å²	33.6	21%	0.206	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	14.6	177.6	0	0	0	0	0	115.8	S842 C843 F848 P889	S842-G846 PolarHBondContact O-N 2.85Å; S842-G846 VanDerWaalsContact O-N 3.13Å; C843-G846 PolarHBondContact O-N 2.9Å; G846-F848 VanDerWaalsContact C-N 3.29Å; G846-F848 VanDerWaalsContact O-CD2 3.23Å; G846-F848 WeakPolarHBondContact O-CD2 3.46Å; G846-F848 PolarHBondContact O-N 2.92Å; G846-F848 VanDerWaalsContact O-N 3.07Å; G846-P889 VanDerWaalsContact O-CD 3.26Å; G846-P889 WeakPolarHBondContact O-CD 3.47Å
847	Y	91.3	Very high	92.7	Very high	24 Å²	24	35.4 Å²	35.4	9%	0.094	19%	0.192	C	C	.	.			trans	-83.7	70.2	175.1	-80.8	-106.5	0	0	0	111	M816 S842 C845 S849 I850 C851 D888 P889 Y906	M816-Y847 HydrophobicContact CE-CD1 4.08Å; M816-Y847 HydrophobicContact CE-CD2 4.1Å; M816-Y847 HydrophobicContact CE-CE1 4.3Å; M816-Y847 HydrophobicContact CE-CE2 4.31Å; M816-Y847 HydrophobicContact CE-CG 3.96Å; M816-Y847 HydrophobicContact SD-CD1 4.4Å; M816-Y847 HydrophobicContact SD-CD2 4.14Å; M816-Y847 HydrophobicContact SD-CG 3.84Å; S842-Y847 PolarHBondContact O-N 2.7Å; C845-Y847 HydrophobicContact CB-CD2 4.3Å; C845-Y847 WeakPolarHBondContact SG-CD2 3.39Å; Y847-S849 VanDerWaalsContact C-N 3.33Å; Y847-S849 PolarHBondContact O-N 3.38Å; Y847-I850 HydrophobicContact CD1-CD1 3.81Å; Y847-I850 HydrophobicContact CG-CD1 4.4Å; Y847-I850 PolarHBondContact O-N 3.43Å; Y847-C851 WeakPolarHBondContact O-CB 3.18Å; Y847-C851 PolarHBondContact O-N 2.86Å; Y847-D888 WeakPolarHBondContact CA-OD1 3.37Å; Y847-D888 HydrophobicContact CD1-CB 3.81Å; Y847-D888 HydrophobicContact CE1-CB 4.28Å; Y847-D888 HydrophobicContact CG-CB 4.41Å; Y847-P889 HydrophobicContact CD2-CG 3.78Å; Y847-P889 HydrophobicContact CE1-CG 4.47Å; Y847-P889 HydrophobicContact CE2-CG 3.53Å; Y847-P889 HydrophobicContact CG-CG 4.39Å; Y847-Y906 HydrophobicContact CD1-CE1 4.47Å; Y847-Y906 HydrophobicContact CE1-CD1 4.07Å; Y847-Y906 AromaticContact CE1-CE1 3.88Å; Y847-Y906 HydrophobicContact CE1-CE1 3.88Å
848	F	91.6	Very high	92.6	Very high	29 Å²	29	34.8 Å²	34.8	13%	0.127	19%	0.189	C	C	.	.	H	α-helix	trans	-67.5	-23.3	-171.3	-68.4	-69.5	0	0	0	115.1	G846 S852 V880 F881 N884 D888	G846-F848 VanDerWaalsContact C-N 3.29Å; G846-F848 VanDerWaalsContact O-CD2 3.23Å; G846-F848 WeakPolarHBondContact O-CD2 3.46Å; G846-F848 PolarHBondContact O-N 2.92Å; G846-F848 VanDerWaalsContact O-N 3.07Å; F848-S852 WeakPolarHBondContact O-CB 3.18Å; F848-S852 PolarHBondContact O-N 2.94Å; F848-V880 HydrophobicContact CD1-CG1 4.34Å; F848-V880 HydrophobicContact CE1-CG1 4.11Å; F848-F881 HydrophobicContact CB-CE1 4.09Å; F848-F881 HydrophobicContact CD1-CE1 4.12Å; F848-F881 WeakPolarHBondContact O-CE1 3.26Å; F848-N884 HydrophobicContact CD1-CB 3.89Å; F848-N884 HydrophobicContact CD2-CB 4.1Å; F848-N884 HydrophobicContact CE1-CB 3.57Å; F848-N884 HydrophobicContact CE2-CB 3.78Å; F848-N884 HydrophobicContact CG-CB 4.15Å; F848-N884 HydrophobicContact CZ-CB 3.51Å; F848-D888 PolarHBondContact N-OD1 3.04Å; F848-D888 VanDerWaalsContact N-OD1 3.07Å
849	S	90.8	Very high	92.5	Very high	36 Å²	36	36.5 Å²	36.5	25%	0.252	20%	0.197	S	C	.	.	H	α-helix	trans	-70.9	-38.8	173.5	-174.7	0	0	0	0	111.7	Y847 K853 D888	Y847-S849 VanDerWaalsContact C-N 3.33Å; Y847-S849 PolarHBondContact O-N 3.38Å; S849-K853 WeakPolarHBondContact O-CG 3.42Å; S849-K853 PolarHBondContact O-N 3.43Å; S849-D888 VanDerWaalsContact CB-CG 3.5Å; S849-D888 WeakPolarHBondContact CB-OD1 3.12Å; S849-D888 VanDerWaalsContact CB-OD2 3.31Å; S849-D888 WeakPolarHBondContact CB-OD2 3.36Å; S849-D888 PolarHBondContact N-OD1 3.47Å
850	I	91.6	Very high	92.3	Very high	14 Å²	14	40.2 Å²	40.2	7%	0.072	22%	0.215	C	C	.	.	H	α-helix	trans	-70.1	-43	173.7	-59.1	179.4	0	0	0	109.8	M816 L820 L838 Y847 S852 K853 A854 Y906	M816-I850 HydrophobicContact CE-CD1 4.18Å; M816-I850 HydrophobicContact SD-CD1 4.12Å; L820-I850 HydrophobicContact CD1-CD1 4.29Å; L820-I850 HydrophobicContact CD2-CG2 4.05Å; L838-I850 HydrophobicContact CD1-CG2 3.99Å; L838-I850 HydrophobicContact CD2-CG2 4.45Å; L838-I850 HydrophobicContact CG-CG2 4.31Å; Y847-I850 HydrophobicContact CD1-CD1 3.81Å; Y847-I850 HydrophobicContact CG-CD1 4.4Å; Y847-I850 PolarHBondContact O-N 3.43Å; I850-S852 VanDerWaalsContact C-N 3.35Å; I850-S852 PolarHBondContact O-N 3.39Å; I850-K853 PolarHBondContact O-N 2.96Å; I850-A854 PolarHBondContact O-N 3.48Å; I850-Y906 HydrophobicContact CD1-CE1 4.37Å; I850-Y906 HydrophobicContact CD1-CE2 4.25Å
851	C	93.2	Very high	92.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-56.4	-47	175.8	-168.6	0	0	0	0	111.8	S842 Y847 K853 A854 F855 F881	S842-C851 WeakPolarHBondContact OG-CA 3.4Å; S842-C851 VanDerWaalsContact OG-CB 3.22Å; S842-C851 WeakPolarHBondContact OG-CB 3.43Å; S842-C851 PolarHBondContact OG-N 3.4Å; Y847-C851 WeakPolarHBondContact O-CB 3.18Å; Y847-C851 PolarHBondContact O-N 2.86Å; C851-K853 VanDerWaalsContact C-N 3.34Å; C851-K853 PolarHBondContact O-N 3.44Å; C851-A854 WeakPolarHBondContact O-CB 3.4Å; C851-A854 PolarHBondContact O-N 3.13Å; C851-A854 VanDerWaalsContact O-N 3.1Å; C851-F855 WeakPolarHBondContact O-CD2 3.34Å; C851-F855 PolarHBondContact O-N 2.64Å; C851-F855 WeakPolarHBondContact SG-CE2 3.23Å; C851-F881 HydrophobicContact CB-CZ 4.25Å
852	S	93.2	Very high	91.8	Very high	27 Å²	27	39.7 Å²	39.7	19%	0.189	21%	0.209	C	C	.	.	H	α-helix	trans	-60.3	-42	178.2	174.4	0	0	0	0	112	F848 I850 A854 F855 V856 F881	F848-S852 WeakPolarHBondContact O-CB 3.18Å; F848-S852 PolarHBondContact O-N 2.94Å; I850-S852 VanDerWaalsContact C-N 3.35Å; I850-S852 PolarHBondContact O-N 3.39Å; S852-A854 VanDerWaalsContact C-N 3.31Å; S852-A854 PolarHBondContact O-N 3.14Å; S852-F855 PolarHBondContact O-N 3.49Å; S852-V856 WeakPolarHBondContact O-CG2 3.38Å; S852-V856 PolarHBondContact O-N 2.92Å; S852-F881 VanDerWaalsContact CA-CZ 3.45Å
853	K	93.5	Very high	91.4	Very high	143 Å²	143	43.3 Å²	43.3	62%	0.622	23%	0.228	S	C	*	.	H	α-helix	trans	-65.1	-34.1	175.8	-68.8	170.9	-174.3	173.4	0	112.8	S849 I850 C851 K857	S849-K853 WeakPolarHBondContact O-CG 3.42Å; S849-K853 PolarHBondContact O-N 3.43Å; I850-K853 PolarHBondContact O-N 2.96Å; C851-K853 VanDerWaalsContact C-N 3.34Å; C851-K853 PolarHBondContact O-N 3.44Å; K853-K857 PolarHBondContact O-N 3.24Å
854	A	93.9	Very high	91	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.008	25%	0.248	C	C	.	.	H	α-helix	trans	-67.9	-46.4	175.1	0	0	0	0	0	110.9	L838 A839 I850 C851 S852 V856 K857 L858	L838-A854 HydrophobicContact CB-CB 4.32Å; L838-A854 HydrophobicContact CD2-CB 4.15Å; L838-A854 HydrophobicContact CG-CB 4.08Å; A839-A854 HydrophobicContact CB-CB 3.98Å; I850-A854 PolarHBondContact O-N 3.48Å; C851-A854 WeakPolarHBondContact O-CB 3.4Å; C851-A854 PolarHBondContact O-N 3.13Å; C851-A854 VanDerWaalsContact O-N 3.1Å; S852-A854 VanDerWaalsContact C-N 3.31Å; S852-A854 PolarHBondContact O-N 3.14Å; A854-V856 PolarHBondContact O-N 3.29Å; A854-K857 PolarHBondContact O-N 3.23Å; A854-K857 VanDerWaalsContact O-N 3.15Å; A854-L858 WeakPolarHBondContact O-CG 3.34Å; A854-L858 PolarHBondContact O-N 3.03Å
855	F	94.1	Very high	90.6	Very high	11 Å²	11	49.1 Å²	49.1	5%	0.048	25%	0.247	C	C	.	.	H	α-helix	trans	-58.6	-46.6	175.2	-85.6	-67.2	0	0	0	112.7	A839 C851 S852 K857 L858 E859 L876 A877 F881	A839-F855 HydrophobicContact CB-CD2 4.46Å; A839-F855 HydrophobicContact CB-CE2 4.22Å; A839-F855 HydrophobicContact CB-CZ 4.33Å; C851-F855 WeakPolarHBondContact O-CD2 3.34Å; C851-F855 PolarHBondContact O-N 2.64Å; C851-F855 WeakPolarHBondContact SG-CE2 3.23Å; S852-F855 PolarHBondContact O-N 3.49Å; F855-K857 PolarHBondContact O-N 3.2Å; F855-L858 WeakPolarHBondContact O-CB 3.26Å; F855-L858 PolarHBondContact O-N 3.07Å; F855-L858 VanDerWaalsContact O-N 3.07Å; F855-E859 WeakPolarHBondContact O-CB 3.22Å; F855-E859 WeakPolarHBondContact O-CG 3.22Å; F855-E859 PolarHBondContact O-N 2.78Å; F855-L876 HydrophobicContact CE1-CB 4.16Å; F855-L876 HydrophobicContact CE1-CD2 3.87Å; F855-L876 HydrophobicContact CE1-CG 4.01Å; F855-L876 HydrophobicContact CZ-CD2 3.97Å; F855-L876 HydrophobicContact CZ-CG 4.01Å; F855-A877 HydrophobicContact CB-CB 4.07Å; F855-A877 HydrophobicContact CD1-CB 3.9Å; F855-A877 HydrophobicContact CD2-CB 4.37Å; F855-A877 HydrophobicContact CE1-CB 4.44Å; F855-A877 HydrophobicContact CG-CB 3.87Å; F855-F881 AromaticContact CD2-CE2 3.83Å; F855-F881 HydrophobicContact CD2-CE2 3.83Å; F855-F881 HydrophobicContact CD2-CZ 4.11Å; F855-F881 HydrophobicContact CE2-CE2 4.45Å; F855-F881 HydrophobicContact CG-CE2 4.49Å
856	V	92.6	Very high	90.1	Very high	68 Å²	68	53.6 Å²	53.6	41%	0.412	26%	0.26	S	S	.	.	H	α-helix	trans	-56	-39	176.3	171	0	0	0	0	111.5	S852 A854 I860	S852-V856 WeakPolarHBondContact O-CG2 3.38Å; S852-V856 PolarHBondContact O-N 2.92Å; A854-V856 PolarHBondContact O-N 3.29Å; V856-I860 HydrophobicContact CG1-CD1 3.95Å; V856-I860 WeakPolarHBondContact O-CD1 3.41Å; V856-I860 WeakPolarHBondContact O-CG1 3.48Å; V856-I860 PolarHBondContact O-N 2.95Å; V856-I860 VanDerWaalsContact O-N 3.08Å
857	K	92.9	Very high	89	Confident	80 Å²	80	61.2 Å²	61.2	35%	0.348	30%	0.296	S	S	.	.	H	α-helix	trans	-71	-40.9	178.5	-164.6	70.3	170.4	179.8	0	111.9	Y835 K853 A854 F855 I860 M861	Y835-K857 HydrophobicContact CD1-CB 4.05Å; Y835-K857 HydrophobicContact CD1-CG 4.1Å; Y835-K857 HydrophobicContact CD2-CB 4.47Å; Y835-K857 HydrophobicContact CD2-CG 3.8Å; Y835-K857 HydrophobicContact CE1-CB 4.12Å; Y835-K857 HydrophobicContact CE1-CG 3.9Å; Y835-K857 HydrophobicContact CE2-CD 4.49Å; Y835-K857 HydrophobicContact CE2-CG 3.63Å; Y835-K857 HydrophobicContact CG-CB 4.23Å; Y835-K857 HydrophobicContact CG-CG 4.05Å; K853-K857 PolarHBondContact O-N 3.24Å; A854-K857 PolarHBondContact O-N 3.23Å; A854-K857 VanDerWaalsContact O-N 3.15Å; F855-K857 PolarHBondContact O-N 3.2Å; K857-I860 PolarHBondContact O-N 3.3Å; K857-M861 HydrophobicContact CD-CE 4.4Å; K857-M861 HydrophobicContact CG-CE 3.97Å; K857-M861 HydrophobicContact CG-SD 4.33Å; K857-M861 WeakPolarHBondContact O-CB 3.07Å; K857-M861 VanDerWaalsContact O-CG 3.26Å; K857-M861 WeakPolarHBondContact O-CG 3.46Å; K857-M861 PolarHBondContact O-N 2.85Å
858	L	93.1	Very high	87.6	Confident	2 Å²	2	62.2 Å²	62.2	1%	0.01	31%	0.309	C	S	.	.	H	α-helix	trans	-63.3	-43.3	175	-69.5	167.7	0	0	0	111.5	E832 A839 A854 F855 M861 Y862 Y873	E832-L858 HydrophobicContact CG-CD2 4.19Å; A839-L858 HydrophobicContact CB-CD1 4.19Å; A854-L858 WeakPolarHBondContact O-CG 3.34Å; A854-L858 PolarHBondContact O-N 3.03Å; F855-L858 WeakPolarHBondContact O-CB 3.26Å; F855-L858 PolarHBondContact O-N 3.07Å; F855-L858 VanDerWaalsContact O-N 3.07Å; L858-M861 PolarHBondContact O-N 3.04Å; L858-Y862 WeakPolarHBondContact O-CB 3.41Å; L858-Y862 PolarHBondContact O-N 3.4Å; L858-Y873 HydrophobicContact CB-CD1 3.85Å; L858-Y873 HydrophobicContact CB-CD2 4.03Å; L858-Y873 HydrophobicContact CB-CE1 4.14Å; L858-Y873 HydrophobicContact CB-CE2 4.3Å; L858-Y873 HydrophobicContact CB-CG 3.78Å; L858-Y873 HydrophobicContact CD1-CD1 3.86Å; L858-Y873 HydrophobicContact CD1-CE1 3.85Å; L858-Y873 HydrophobicContact CD2-CE1 4.19Å; L858-Y873 HydrophobicContact CG-CD1 4.34Å; L858-Y873 HydrophobicContact CG-CE1 4.28Å
859	E	91.1	Very high	86.4	Confident	42 Å²	42	70.3 Å²	70.3	20%	0.196	35%	0.347	C	S	.	.	H	α-helix	trans	-58.7	-49.5	175.5	-74.5	167.8	-165.5	0	0	111.2	F855 M861 Y862 N863 N871 E874	F855-E859 WeakPolarHBondContact O-CB 3.22Å; F855-E859 WeakPolarHBondContact O-CG 3.22Å; F855-E859 PolarHBondContact O-N 2.78Å; E859-M861 VanDerWaalsContact C-N 3.33Å; E859-M861 PolarHBondContact O-N 3.16Å; E859-Y862 PolarHBondContact O-N 3.45Å; E859-N863 WeakPolarHBondContact O-CB 3.35Å; E859-N863 PolarHBondContact O-N 2.81Å; E859-N863 PolarHBondContact O-ND2 3.33Å; E859-N871 WeakPolarHBondContact CA-ND2 3.45Å; E859-N871 PolarHBondContact O-ND2 3.42Å; E859-E874 HydrophobicContact CG-CB 4.31Å
860	I	90.7	Very high	85.8	Confident	84 Å²	84	75 Å²	75	43%	0.431	37%	0.37	S	S	.	.	H	α-helix	trans	-59.7	-44	176.4	-68.5	164.6	0	0	0	111	V856 K857 N864	V856-I860 HydrophobicContact CG1-CD1 3.95Å; V856-I860 WeakPolarHBondContact O-CD1 3.41Å; V856-I860 WeakPolarHBondContact O-CG1 3.48Å; V856-I860 PolarHBondContact O-N 2.95Å; V856-I860 VanDerWaalsContact O-N 3.08Å; K857-I860 PolarHBondContact O-N 3.3Å; I860-N864 WeakPolarHBondContact O-CB 3.45Å; I860-N864 PolarHBondContact O-N 2.98Å; I860-N864 VanDerWaalsContact O-N 3.09Å; I860-N864 PolarHBondContact O-ND2 3.01Å; I860-N864 VanDerWaalsContact O-ND2 3.09Å
861	M	89.7	Confident	85.4	Confident	36 Å²	36	74.4 Å²	74.4	18%	0.177	37%	0.367	C	S	.	.	H	α-helix	trans	-65.4	-40.7	179.7	-75.5	173.6	171.7	0	0	112.3	A831 Y835 K857 L858 E859 N864 R865	A831-M861 HydrophobicContact CB-CE 3.46Å; A831-M861 VanDerWaalsContact CB-CE 3.46Å; A831-M861 HydrophobicContact CB-SD 4.17Å; Y835-M861 HydrophobicContact CD2-CE 3.95Å; Y835-M861 HydrophobicContact CD2-SD 4.21Å; Y835-M861 HydrophobicContact CE2-CE 3.94Å; K857-M861 HydrophobicContact CD-CE 4.4Å; K857-M861 HydrophobicContact CG-CE 3.97Å; K857-M861 HydrophobicContact CG-SD 4.33Å; K857-M861 WeakPolarHBondContact O-CB 3.07Å; K857-M861 VanDerWaalsContact O-CG 3.26Å; K857-M861 WeakPolarHBondContact O-CG 3.46Å; K857-M861 PolarHBondContact O-N 2.85Å; L858-M861 PolarHBondContact O-N 3.04Å; E859-M861 VanDerWaalsContact C-N 3.33Å; E859-M861 PolarHBondContact O-N 3.16Å; M861-N864 PolarHBondContact O-N 3.14Å; M861-R865 PolarHBondContact O-N 3.03Å
862	Y	87.7	Confident	85.2	Confident	43 Å²	43	77.6 Å²	77.6	17%	0.169	39%	0.388	C	S	.	.	H	α-helix	trans	-67.9	-48.3	178.5	-171.8	-87.1	0	0	0	111.4	L858 E859 N864 R865 Y866 A868 N871 P872 Y873	L858-Y862 WeakPolarHBondContact O-CB 3.41Å; L858-Y862 PolarHBondContact O-N 3.4Å; E859-Y862 PolarHBondContact O-N 3.45Å; Y862-N864 PolarHBondContact O-N 3.49Å; Y862-R865 PolarHBondContact O-N 3.38Å; Y862-Y866 HydrophobicContact CD1-CD2 4.25Å; Y862-Y866 AromaticContact CD2-CD2 3.72Å; Y862-Y866 HydrophobicContact CD2-CD2 3.72Å; Y862-Y866 HydrophobicContact CD2-CE2 4.03Å; Y862-Y866 HydrophobicContact CE1-CD2 4.02Å; Y862-Y866 HydrophobicContact CE1-CG 4.39Å; Y862-Y866 AromaticContact CE2-CD2 3.46Å; Y862-Y866 HydrophobicContact CE2-CD2 3.46Å; Y862-Y866 VanDerWaalsContact CE2-CD2 3.46Å; Y862-Y866 AromaticContact CE2-CE2 3.75Å; Y862-Y866 HydrophobicContact CE2-CE2 3.75Å; Y862-Y866 HydrophobicContact CE2-CG 4.4Å; Y862-Y866 HydrophobicContact CG-CD2 4.11Å; Y862-Y866 AromaticContact CZ-CD2 3.62Å; Y862-Y866 PolarHBondContact O-N 2.94Å; Y862-A868 HydrophobicContact CE1-CB 4.41Å; Y862-N871 HydrophobicContact CD1-CB 4.08Å; Y862-N871 VanDerWaalsContact CD1-CG 3.48Å; Y862-N871 WeakPolarHBondContact CD1-ND2 3.2Å; Y862-N871 HydrophobicContact CE1-CB 4.37Å; Y862-P872 HydrophobicContact CD2-CG 4.25Å; Y862-P872 VanDerWaalsContact CE1-CD 3.45Å; Y862-P872 HydrophobicContact CE1-CG 4.37Å; Y862-P872 HydrophobicContact CE2-CG 3.74Å; Y862-Y873 HydrophobicContact CD2-CD2 4.01Å; Y862-Y873 AromaticContact CD2-CE2 3.83Å; Y862-Y873 HydrophobicContact CD2-CE2 3.83Å; Y862-Y873 HydrophobicContact CG-CD2 4.08Å; Y862-Y873 HydrophobicContact CG-CE2 4.29Å
863	N	85.6	Confident	85.1	Confident	76 Å²	76	78.3 Å²	78.3	41%	0.406	39%	0.386	S	S	.	.	H	α-helix	trans	-61.1	-30.3	177.7	-69.9	-8.3	0	0	0	112.3	E859 R865 N871	E859-N863 WeakPolarHBondContact O-CB 3.35Å; E859-N863 PolarHBondContact O-N 2.81Å; E859-N863 PolarHBondContact O-ND2 3.33Å; N863-R865 VanDerWaalsContact C-N 3.31Å; N863-N871 PolarHBondContact OD1-ND2 3.47Å
864	N	85	Confident	84.8	Confident	130 Å²	130	76.7 Å²	76.7	70%	0.695	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-19.9	175.3	-71.7	-21.4	0	0	0	113.6	I860 M861 Y862	I860-N864 WeakPolarHBondContact O-CB 3.45Å; I860-N864 PolarHBondContact O-N 2.98Å; I860-N864 VanDerWaalsContact O-N 3.09Å; I860-N864 PolarHBondContact O-ND2 3.01Å; I860-N864 VanDerWaalsContact O-ND2 3.09Å; M861-N864 PolarHBondContact O-N 3.14Å; Y862-N864 PolarHBondContact O-N 3.49Å
865	R	81.4	Confident	84.5	Confident	135 Å²	135	81 Å²	81	51%	0.509	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-33.2	-179.2	-73	-172	-171.5	160.2	6.9	113.1	E832 M861 Y862 N863	E832-R865 IonicContact OE2-CZ 2.91Å; E832-R865 IonicContact OE2-NH1 2.77Å; E832-R865 PolarHBondContact OE2-NH1 2.79Å; E832-R865 IonicContact OE2-NH2 3.64Å; M861-R865 PolarHBondContact O-N 3.03Å; Y862-R865 PolarHBondContact O-N 3.38Å; N863-R865 VanDerWaalsContact C-N 3.31Å
866	Y	80	Confident	84.4	Confident	125 Å²	125	84.7 Å²	84.7	49%	0.49	43%	0.427	S	S	.	.			trans	-126.1	119.3	-175.2	-56.3	-73.5	0	0	0	109.8	Y862 A868	Y862-Y866 HydrophobicContact CD1-CD2 4.25Å; Y862-Y866 AromaticContact CD2-CD2 3.72Å; Y862-Y866 HydrophobicContact CD2-CD2 3.72Å; Y862-Y866 HydrophobicContact CD2-CE2 4.03Å; Y862-Y866 HydrophobicContact CE1-CD2 4.02Å; Y862-Y866 HydrophobicContact CE1-CG 4.39Å; Y862-Y866 AromaticContact CE2-CD2 3.46Å; Y862-Y866 HydrophobicContact CE2-CD2 3.46Å; Y862-Y866 VanDerWaalsContact CE2-CD2 3.46Å; Y862-Y866 AromaticContact CE2-CE2 3.75Å; Y862-Y866 HydrophobicContact CE2-CE2 3.75Å; Y862-Y866 HydrophobicContact CE2-CG 4.4Å; Y862-Y866 HydrophobicContact CG-CD2 4.11Å; Y862-Y866 AromaticContact CZ-CD2 3.62Å; Y862-Y866 PolarHBondContact O-N 2.94Å; Y866-A868 PolarHBondContact O-N 2.95Å
867	D	65	Low	84.3	Confident	180 Å²	180	81.8 Å²	81.8	96%	0.963	41%	0.41	S	S	*	.			trans	-75.7	66.4	164.5	-81.8	-31.1	0	0	0	109
868	A	61.9	Low	84.2	Confident	45 Å²	45	86.4 Å²	86.4	37%	0.372	43%	0.427	S	S	.	.			trans	-109.2	134.9	178.4	0	0	0	0	0	110.2	Y862 Y866 D870	Y862-A868 HydrophobicContact CE1-CB 4.41Å; Y866-A868 PolarHBondContact O-N 2.95Å; A868-D870 PolarHBondContact O-N 2.67Å
869	E	68	Low	84	Confident	198 Å²	198	88.9 Å²	88.9	93%	0.925	45%	0.445	S	S	*	.	S	Bend	trans	-64.5	-26	174	-68.2	-175.4	163.1	0	0	112
870	D	77.3	Confident	83.9	Confident	134 Å²	134	87.9 Å²	87.9	72%	0.717	44%	0.441	S	S	*	.			trans	-113	106.6	-179.3	-73.2	-32.5	0	0	0	111.6	A868	A868-D870 PolarHBondContact O-N 2.67Å
871	N	84.3	Confident	84	Confident	3 Å²	3	86 Å²	86	2%	0.016	43%	0.43	C	S	.	.			trans	-89.1	119.7	172.6	-174.6	-30.4	0	0	0	110.4	E859 Y862 N863 Y873 E874 T875	E859-N871 WeakPolarHBondContact CA-ND2 3.45Å; E859-N871 PolarHBondContact O-ND2 3.42Å; Y862-N871 HydrophobicContact CD1-CB 4.08Å; Y862-N871 VanDerWaalsContact CD1-CG 3.48Å; Y862-N871 WeakPolarHBondContact CD1-ND2 3.2Å; Y862-N871 HydrophobicContact CE1-CB 4.37Å; N863-N871 PolarHBondContact OD1-ND2 3.47Å; N871-Y873 VanDerWaalsContact C-N 3.26Å; N871-Y873 PolarHBondContact O-N 3.43Å; N871-Y873 WeakPolarHBondContact OD1-CA 3.38Å; N871-Y873 VanDerWaalsContact OD1-CB 3.32Å; N871-Y873 WeakPolarHBondContact OD1-CB 3.38Å; N871-Y873 PolarHBondContact OD1-N 3.08Å; N871-E874 HydrophobicContact CB-CB 3.86Å; N871-E874 WeakPolarHBondContact O-CB 3.49Å; N871-E874 PolarHBondContact O-N 3.09Å; N871-E874 PolarHBondContact OD1-N 3.3Å; N871-T875 PolarHBondContact O-N 2.98Å; N871-T875 PolarHBondContact O-OG1 3.24Å
872	P	88.1	Confident	84	Confident	67 Å²	67	88.3 Å²	88.3	44%	0.435	45%	0.446	S	S	.	.	H	α-helix	trans	-64.9	-30.7	-178.8	27.2	-34.3	0	0	0	112.3	Y862 L876	Y862-P872 HydrophobicContact CD2-CG 4.25Å; Y862-P872 VanDerWaalsContact CE1-CD 3.45Å; Y862-P872 HydrophobicContact CE1-CG 4.37Å; Y862-P872 HydrophobicContact CE2-CG 3.74Å; P872-L876 VanDerWaalsContact O-CB 3.3Å; P872-L876 WeakPolarHBondContact O-CB 3.24Å; P872-L876 PolarHBondContact O-N 3.15Å
873	Y	90.3	Very high	83.8	Confident	42 Å²	42	94.1 Å²	94.1	17%	0.165	48%	0.475	C	S	.	.	H	α-helix	trans	-70.2	-36.8	176	-63.8	-68.8	0	0	0	111.9	E832 L858 Y862 N871 L876 A877	E832-Y873 PolarHBondContact OE1-OH 3.46Å; L858-Y873 HydrophobicContact CB-CD1 3.85Å; L858-Y873 HydrophobicContact CB-CD2 4.03Å; L858-Y873 HydrophobicContact CB-CE1 4.14Å; L858-Y873 HydrophobicContact CB-CE2 4.3Å; L858-Y873 HydrophobicContact CB-CG 3.78Å; L858-Y873 HydrophobicContact CD1-CD1 3.86Å; L858-Y873 HydrophobicContact CD1-CE1 3.85Å; L858-Y873 HydrophobicContact CD2-CE1 4.19Å; L858-Y873 HydrophobicContact CG-CD1 4.34Å; L858-Y873 HydrophobicContact CG-CE1 4.28Å; Y862-Y873 HydrophobicContact CD2-CD2 4.01Å; Y862-Y873 AromaticContact CD2-CE2 3.83Å; Y862-Y873 HydrophobicContact CD2-CE2 3.83Å; Y862-Y873 HydrophobicContact CG-CD2 4.08Å; Y862-Y873 HydrophobicContact CG-CE2 4.29Å; N871-Y873 VanDerWaalsContact C-N 3.26Å; N871-Y873 PolarHBondContact O-N 3.43Å; N871-Y873 WeakPolarHBondContact OD1-CA 3.38Å; N871-Y873 VanDerWaalsContact OD1-CB 3.32Å; N871-Y873 WeakPolarHBondContact OD1-CB 3.38Å; N871-Y873 PolarHBondContact OD1-N 3.08Å; Y873-L876 PolarHBondContact O-N 3.2Å; Y873-A877 WeakPolarHBondContact O-CB 3.42Å; Y873-A877 PolarHBondContact O-N 2.83Å
874	E	87.6	Confident	83.8	Confident	108 Å²	108	93.2 Å²	93.2	51%	0.505	47%	0.47	S	S	.	.	H	α-helix	trans	-65.7	-44.5	174.8	-176.2	177.5	178	0	0	110.9	E859 N871 L876 A877 Y878	E859-E874 HydrophobicContact CG-CB 4.31Å; N871-E874 HydrophobicContact CB-CB 3.86Å; N871-E874 WeakPolarHBondContact O-CB 3.49Å; N871-E874 PolarHBondContact O-N 3.09Å; N871-E874 PolarHBondContact OD1-N 3.3Å; E874-L876 VanDerWaalsContact C-N 3.35Å; E874-L876 PolarHBondContact O-N 3.08Å; E874-A877 PolarHBondContact O-N 3.29Å; E874-Y878 WeakPolarHBondContact O-CB 3.4Å; E874-Y878 PolarHBondContact O-N 2.77Å
875	T	89.1	Confident	83.8	Confident	91 Å²	91	89.8 Å²	89.8	56%	0.558	47%	0.465	S	S	*	.	H	α-helix	trans	-61.5	-44.4	176.3	-57.8	0	0	0	0	111.2	N871 Y878 S879	N871-T875 PolarHBondContact O-N 2.98Å; N871-T875 PolarHBondContact O-OG1 3.24Å; T875-Y878 PolarHBondContact O-N 2.89Å; T875-S879 PolarHBondContact O-N 3.07Å; T875-S879 VanDerWaalsContact O-N 3.11Å
876	L	90.6	Very high	83.9	Confident	89 Å²	89	88 Å²	88	47%	0.466	47%	0.465	S	S	.	.	H	α-helix	trans	-66.3	-45.1	177.5	-171.6	62.3	0	0	0	111.5	F855 P872 Y873 E874 Y878 S879 V880	F855-L876 HydrophobicContact CE1-CB 4.16Å; F855-L876 HydrophobicContact CE1-CD2 3.87Å; F855-L876 HydrophobicContact CE1-CG 4.01Å; F855-L876 HydrophobicContact CZ-CD2 3.97Å; F855-L876 HydrophobicContact CZ-CG 4.01Å; P872-L876 VanDerWaalsContact O-CB 3.3Å; P872-L876 WeakPolarHBondContact O-CB 3.24Å; P872-L876 PolarHBondContact O-N 3.15Å; Y873-L876 PolarHBondContact O-N 3.2Å; E874-L876 VanDerWaalsContact C-N 3.35Å; E874-L876 PolarHBondContact O-N 3.08Å; L876-Y878 VanDerWaalsContact C-N 3.31Å; L876-Y878 PolarHBondContact O-N 2.8Å; L876-S879 PolarHBondContact O-N 3Å; L876-S879 PolarHBondContact O-OG 2.95Å; L876-V880 WeakPolarHBondContact O-CG2 3.49Å; L876-V880 PolarHBondContact O-N 3.49Å
877	A	91.2	Very high	84.1	Confident	8 Å²	8	90.5 Å²	90.5	7%	0.066	48%	0.478	C	S	.	.	H	α-helix	trans	-57.1	-45.5	175.4	0	0	0	0	0	111	F855 Y873 E874 S879 V880 F881	F855-A877 HydrophobicContact CB-CB 4.07Å; F855-A877 HydrophobicContact CD1-CB 3.9Å; F855-A877 HydrophobicContact CD2-CB 4.37Å; F855-A877 HydrophobicContact CE1-CB 4.44Å; F855-A877 HydrophobicContact CG-CB 3.87Å; Y873-A877 WeakPolarHBondContact O-CB 3.42Å; Y873-A877 PolarHBondContact O-N 2.83Å; E874-A877 PolarHBondContact O-N 3.29Å; A877-S879 PolarHBondContact O-N 3.33Å; A877-V880 PolarHBondContact O-N 2.64Å; A877-F881 HydrophobicContact CB-CD2 4.17Å; A877-F881 HydrophobicContact CB-CE2 4.17Å; A877-F881 WeakPolarHBondContact O-CD2 3.35Å; A877-F881 PolarHBondContact O-N 3.49Å
878	Y	89.8	Confident	85.1	Confident	176 Å²	176	84.4 Å²	84.4	69%	0.69	45%	0.445	S	S	*	.	H	α-helix	trans	-57.6	-46.3	175.8	-176.5	-98.9	0	0	0	111.9	E874 T875 L876 V880 T882	E874-Y878 WeakPolarHBondContact O-CB 3.4Å; E874-Y878 PolarHBondContact O-N 2.77Å; T875-Y878 PolarHBondContact O-N 2.89Å; L876-Y878 VanDerWaalsContact C-N 3.31Å; L876-Y878 PolarHBondContact O-N 2.8Å; Y878-V880 VanDerWaalsContact C-N 3.33Å; Y878-V880 PolarHBondContact O-N 3.41Å; Y878-T882 HydrophobicContact CD1-CG2 4.08Å; Y878-T882 HydrophobicContact CD2-CG2 4.17Å; Y878-T882 HydrophobicContact CE1-CG2 3.75Å; Y878-T882 HydrophobicContact CE2-CG2 3.84Å; Y878-T882 HydrophobicContact CG-CG2 4.28Å; Y878-T882 WeakPolarHBondContact O-CB 3.46Å; Y878-T882 WeakPolarHBondContact O-CG2 3.48Å; Y878-T882 PolarHBondContact O-N 3.18Å; Y878-T882 PolarHBondContact O-OG1 3.35Å
879	S	89.4	Confident	86.2	Confident	55 Å²	55	85.2 Å²	85.2	39%	0.385	45%	0.447	S	S	.	.	H	α-helix	trans	-61.9	-36.7	177.5	76.7	0	0	0	0	113.8	T875 L876 A877 T882	T875-S879 PolarHBondContact O-N 3.07Å; T875-S879 VanDerWaalsContact O-N 3.11Å; L876-S879 PolarHBondContact O-N 3Å; L876-S879 PolarHBondContact O-OG 2.95Å; A877-S879 PolarHBondContact O-N 3.33Å; S879-T882 PolarHBondContact O-OG1 2.96Å
880	V	89.7	Confident	86.8	Confident	20 Å²	20	81 Å²	81	12%	0.121	45%	0.446	C	S	.	.	H	α-helix	trans	-76	-44.8	-178	172.7	0	0	0	0	110.9	F848 L876 A877 Y878 Q883 N884	F848-V880 HydrophobicContact CD1-CG1 4.34Å; F848-V880 HydrophobicContact CE1-CG1 4.11Å; L876-V880 WeakPolarHBondContact O-CG2 3.49Å; L876-V880 PolarHBondContact O-N 3.49Å; A877-V880 PolarHBondContact O-N 2.64Å; Y878-V880 VanDerWaalsContact C-N 3.33Å; Y878-V880 PolarHBondContact O-N 3.41Å; V880-Q883 PolarHBondContact O-N 3.19Å; V880-N884 WeakPolarHBondContact O-CB 3.34Å; V880-N884 PolarHBondContact O-N 2.76Å; V880-N884 VanDerWaalsContact O-N 3.13Å; V880-N884 PolarHBondContact O-ND2 3.49Å
881	F	91.8	Very high	86.8	Confident	46 Å²	46	77 Å²	77	20%	0.202	43%	0.425	C	S	.	.	H	α-helix	trans	-86	-10.7	-174.4	-63	-61.6	0	0	0	114.2	F848 C851 S852 F855 A877 Q883 N884 I886	F848-F881 HydrophobicContact CB-CE1 4.09Å; F848-F881 HydrophobicContact CD1-CE1 4.12Å; F848-F881 WeakPolarHBondContact O-CE1 3.26Å; C851-F881 HydrophobicContact CB-CZ 4.25Å; S852-F881 VanDerWaalsContact CA-CZ 3.45Å; F855-F881 AromaticContact CD2-CE2 3.83Å; F855-F881 HydrophobicContact CD2-CE2 3.83Å; F855-F881 HydrophobicContact CD2-CZ 4.11Å; F855-F881 HydrophobicContact CE2-CE2 4.45Å; F855-F881 HydrophobicContact CG-CE2 4.49Å; A877-F881 HydrophobicContact CB-CD2 4.17Å; A877-F881 HydrophobicContact CB-CE2 4.17Å; A877-F881 WeakPolarHBondContact O-CD2 3.35Å; A877-F881 PolarHBondContact O-N 3.49Å; F881-Q883 VanDerWaalsContact C-N 3.32Å; F881-N884 WeakPolarHBondContact CA-O 3.49Å; F881-I886 HydrophobicContact CD1-CG1 3.83Å; F881-I886 HydrophobicContact CE1-CG1 4.28Å; F881-I886 HydrophobicContact CG-CG1 4.43Å
882	T	89.3	Confident	86.1	Confident	83 Å²	83	82.3 Å²	82.3	51%	0.509	46%	0.462	S	S	.	.	H	α-helix	trans	-70.3	-30.5	166.8	42.1	0	0	0	0	112.2	Y878 S879	Y878-T882 HydrophobicContact CD1-CG2 4.08Å; Y878-T882 HydrophobicContact CD2-CG2 4.17Å; Y878-T882 HydrophobicContact CE1-CG2 3.75Å; Y878-T882 HydrophobicContact CE2-CG2 3.84Å; Y878-T882 HydrophobicContact CG-CG2 4.28Å; Y878-T882 WeakPolarHBondContact O-CB 3.46Å; Y878-T882 WeakPolarHBondContact O-CG2 3.48Å; Y878-T882 PolarHBondContact O-N 3.18Å; Y878-T882 PolarHBondContact O-OG1 3.35Å; S879-T882 PolarHBondContact O-OG1 2.96Å
883	Q	85.2	Confident	85.7	Confident	166 Å²	166	80.1 Å²	80.1	78%	0.776	45%	0.451	S	S	*	.	H	α-helix	trans	-94.4	-29	179	-61.1	-176	5.4	0	0	112.9	V880 F881	V880-Q883 PolarHBondContact O-N 3.19Å; F881-Q883 VanDerWaalsContact C-N 3.32Å
884	N	85.5	Confident	85.4	Confident	57 Å²	57	79.9 Å²	79.9	31%	0.305	45%	0.45	S	S	.	.	S	Bend	trans	-121.6	127.8	-172.9	-58.2	-67.9	0	0	0	111.9	F848 V880 F881	F848-N884 HydrophobicContact CD1-CB 3.89Å; F848-N884 HydrophobicContact CD2-CB 4.1Å; F848-N884 HydrophobicContact CE1-CB 3.57Å; F848-N884 HydrophobicContact CE2-CB 3.78Å; F848-N884 HydrophobicContact CG-CB 4.15Å; F848-N884 HydrophobicContact CZ-CB 3.51Å; V880-N884 WeakPolarHBondContact O-CB 3.34Å; V880-N884 PolarHBondContact O-N 2.76Å; V880-N884 VanDerWaalsContact O-N 3.13Å; V880-N884 PolarHBondContact O-ND2 3.49Å; F881-N884 WeakPolarHBondContact CA-O 3.49Å
885	G	83.9	Confident	85.2	Confident	58 Å²	58	80.6 Å²	80.6	60%	0.598	46%	0.457	S	S	*	.			trans	-69.4	143.8	173.9	0	0	0	0	0	112.3	K887	G885-K887 PolarHBondContact O-N 3.35Å
886	I	84.5	Confident	84.9	Confident	97 Å²	97	76.3 Å²	76.3	50%	0.497	43%	0.431	S	S	.	.	S	Bend	trans	-73.4	73.1	178.4	-49.1	173.3	0	0	0	110.3	F881	F881-I886 HydrophobicContact CD1-CG1 3.83Å; F881-I886 HydrophobicContact CE1-CG1 4.28Å; F881-I886 HydrophobicContact CG-CG1 4.43Å
887	K	84.6	Confident	84.5	Confident	177 Å²	177	76.2 Å²	76.2	77%	0.77	44%	0.436	S	S	*	.			trans	-141.8	137.3	174.7	-67.2	-176.3	-179.5	176.7	0	109.3	G885	G885-K887 PolarHBondContact O-N 3.35Å
888	D	85.5	Confident	83.9	Confident	52 Å²	52	78.3 Å²	78.3	28%	0.278	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-87.5	150.2	174.1	-63.7	-20.9	0	0	0	110.4	Y847 F848 S849	Y847-D888 WeakPolarHBondContact CA-OD1 3.37Å; Y847-D888 HydrophobicContact CD1-CB 3.81Å; Y847-D888 HydrophobicContact CE1-CB 4.28Å; Y847-D888 HydrophobicContact CG-CB 4.41Å; F848-D888 PolarHBondContact N-OD1 3.04Å; F848-D888 VanDerWaalsContact N-OD1 3.07Å; S849-D888 VanDerWaalsContact CB-CG 3.5Å; S849-D888 WeakPolarHBondContact CB-OD1 3.12Å; S849-D888 VanDerWaalsContact CB-OD2 3.31Å; S849-D888 WeakPolarHBondContact CB-OD2 3.36Å; S849-D888 PolarHBondContact N-OD1 3.47Å
889	P	84.3	Confident	83.8	Confident	62 Å²	62	72.3 Å²	72.3	40%	0.403	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-63.2	156.4	170.5	26.7	-34	0	0	0	111.2	G846 Y847 D891	G846-P889 VanDerWaalsContact O-CD 3.26Å; G846-P889 WeakPolarHBondContact O-CD 3.47Å; Y847-P889 HydrophobicContact CD2-CG 3.78Å; Y847-P889 HydrophobicContact CE1-CG 4.47Å; Y847-P889 HydrophobicContact CE2-CG 3.53Å; Y847-P889 HydrophobicContact CG-CG 4.39Å; P889-D891 PolarHBondContact O-N 3.39Å
890	A	80.1	Confident	83.5	Confident	109 Å²	109	77.9 Å²	77.9	90%	0.901	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-63.6	120.4	176.7	0	0	0	0	0	110.6
891	D	77	Confident	83.1	Confident	52 Å²	52	77.4 Å²	77.4	28%	0.278	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-95.9	131	179.2	-176.3	20	0	0	0	110.5	P889 G893 A904 S905	P889-D891 PolarHBondContact O-N 3.39Å; D891-G893 VanDerWaalsContact C-N 3.29Å; D891-G893 PolarHBondContact O-N 3.44Å; D891-G893 PolarHBondContact OD1-N 3.36Å; D891-A904 VanDerWaalsContact OD2-CA 3.3Å; D891-A904 WeakPolarHBondContact OD2-CA 3.45Å; D891-A904 WeakPolarHBondContact OD2-CB 3.32Å; D891-S905 VanDerWaalsContact OD1-CB 3.22Å; D891-S905 WeakPolarHBondContact OD1-CB 3.49Å; D891-S905 PolarHBondContact OD1-OG 3.26Å; D891-S905 PolarHBondContact OD2-N 3.23Å; D891-S905 PolarHBondContact OD2-OG 2.95Å
892	S	71.5	Confident	82.7	Confident	114 Å²	114	80 Å²	80	80%	0.797	48%	0.477	S	S	*	.			trans	-72.8	-22.3	-178.9	50.7	0	0	0	0	113.1
893	G	78.7	Confident	82.4	Confident	20 Å²	20	76 Å²	76	21%	0.206	45%	0.453	C	S	.	.			trans	54.9	-170.2	176.4	0	0	0	0	0	114.8	D891 I903	D891-G893 VanDerWaalsContact C-N 3.29Å; D891-G893 PolarHBondContact O-N 3.44Å; D891-G893 PolarHBondContact OD1-N 3.36Å; G893-I903 CarbonylContact C-O 3.4Å; G893-I903 WeakPolarHBondContact CA-O 3.45Å
894	Y	83.1	Confident	82.3	Confident	38 Å²	38	69.2 Å²	69.2	15%	0.149	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	155.2	170.4	59.9	-84.3	0	0	0	110.3	I903 L907 F917 T928	Y894-I903 HydrophobicContact CD1-CB 4.43Å; Y894-I903 HydrophobicContact CD2-CB 4.26Å; Y894-I903 HydrophobicContact CD2-CD1 4.11Å; Y894-I903 HydrophobicContact CE1-CB 4.09Å; Y894-I903 HydrophobicContact CE1-CG2 3.88Å; Y894-I903 HydrophobicContact CE2-CB 3.93Å; Y894-I903 HydrophobicContact CE2-CD1 3.5Å; Y894-I903 VanDerWaalsContact CE2-CD1 3.5Å; Y894-I903 HydrophobicContact CE2-CG1 4.29Å; Y894-I903 HydrophobicContact CE2-CG2 4.14Å; Y894-I903 PolarHBondContact N-O 3.07Å; Y894-I903 PolarHBondContact O-N 2.87Å; Y894-I903 WeakPolarHBondContact OH-CG2 3.42Å; Y894-L907 PolarHBondContact OH-O 3.47Å; Y894-F917 HydrophobicContact CE2-CD2 4.33Å; Y894-F917 HydrophobicContact CE2-CE2 4.3Å; Y894-F917 HydrophobicContact CE2-CZ 4.49Å; Y894-T928 HydrophobicContact CD2-CG2 3.57Å; Y894-T928 HydrophobicContact CE2-CG2 3.72Å; Y894-T928 HydrophobicContact CG-CG2 4.03Å
895	L	84.2	Confident	82	Confident	122 Å²	122	67.6 Å²	67.6	64%	0.639	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.7	133	-179	-71	164.4	0	0	0	110.7	P897 K900	L895-P897 WeakPolarHBondContact O-CD 3.22Å; L895-K900 WeakPolarHBondContact CD2-O 3.22Å
896	C	83.1	Confident	81.8	Confident	2 Å²	2	67.5 Å²	67.5	1%	0.014	40%	0.4	C	S	.	.			trans	-66.7	122.7	171.3	-173.4	0	0	0	0	110.4	G898 K900 G901 I903 C910	C896-G898 PolarHBondContact O-N 3.06Å; C896-G898 VanDerWaalsContact O-N 3.15Å; C896-G898 PolarHBondContact SG-N 3.17Å; C896-G898 VanDerWaalsContact SG-N 3.45Å; C896-K900 WeakPolarHBondContact O-CA 3.15Å; C896-K900 PolarHBondContact O-N 2.94Å; C896-G901 WeakPolarHBondContact CB-O 3.42Å; C896-G901 PolarHBondContact N-O 3.24Å; C896-I903 HydrophobicContact CB-CD1 3.61Å; C896-I903 HydrophobicContact CB-CG1 4.09Å; C896-C910 HydrophobicContact CB-CB 4.5Å; C896-C910 VanDerWaalsContact SG-SG 3.63Å
897	P	81.3	Confident	81.7	Confident	87 Å²	87	65.9 Å²	65.9	57%	0.565	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-18.5	175.8	22.2	-31.9	0	0	0	113.7	L895 F917	L895-P897 WeakPolarHBondContact O-CD 3.22Å; P897-F917 HydrophobicContact CG-CE1 3.97Å; P897-F917 HydrophobicContact CG-CZ 4.31Å
898	G	79.6	Confident	81.6	Confident	51 Å²	51	58.8 Å²	58.8	53%	0.526	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-66	177.4	0	0	0	0	0	113.2	C896	C896-G898 PolarHBondContact O-N 3.06Å; C896-G898 VanDerWaalsContact O-N 3.15Å; C896-G898 PolarHBondContact SG-N 3.17Å; C896-G898 VanDerWaalsContact SG-N 3.45Å
899	C	87	Confident	81.6	Confident	50 Å²	50	62.3 Å²	62.3	34%	0.338	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	1.1	-172.3	70.7	0	0	0	0	114.4	G901 C910 N912 C913	C899-G901 PolarHBondContact O-N 3.31Å; C899-G901 PolarHBondContact SG-N 2.8Å; C899-G901 VanDerWaalsContact SG-N 3.42Å; C899-C910 PolarHBondContact SG-SG 3.45Å; C899-N912 HydrophobicContact CB-CB 4.48Å; C899-N912 VanDerWaalsContact SG-CB 3.55Å; C899-C913 HydrophobicContact CB-CB 3.92Å
900	K	82.7	Confident	81.6	Confident	172 Å²	172	59.4 Å²	59.4	75%	0.748	35%	0.354	S	S	*	.			trans	56.7	13	-173.9	-55.6	-177.7	-179.5	-179.9	0	115.1	L895 C896	L895-K900 WeakPolarHBondContact CD2-O 3.22Å; C896-K900 WeakPolarHBondContact O-CA 3.15Å; C896-K900 PolarHBondContact O-N 2.94Å
901	G	81.3	Confident	81.7	Confident	10 Å²	10	58.5 Å²	58.5	10%	0.103	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-70.2	143	173.4	0	0	0	0	0	110.8	C896 C899 I903	C896-G901 WeakPolarHBondContact CB-O 3.42Å; C896-G901 PolarHBondContact N-O 3.24Å; C899-G901 PolarHBondContact O-N 3.31Å; C899-G901 PolarHBondContact SG-N 2.8Å; C899-G901 VanDerWaalsContact SG-N 3.42Å; G901-I903 PolarHBondContact O-N 3.38Å
902	T	83.7	Confident	82	Confident	101 Å²	101	61.5 Å²	61.5	62%	0.62	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	120.6	173.6	-40.7	0	0	0	0	109.3
903	I	83	Confident	82.7	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	128.5	175.8	-54.6	167.6	0	0	0	107.1	G893 Y894 C896 G901 L907 C910 F917	G893-I903 CarbonylContact C-O 3.4Å; G893-I903 WeakPolarHBondContact CA-O 3.45Å; Y894-I903 HydrophobicContact CD1-CB 4.43Å; Y894-I903 HydrophobicContact CD2-CB 4.26Å; Y894-I903 HydrophobicContact CD2-CD1 4.11Å; Y894-I903 HydrophobicContact CE1-CB 4.09Å; Y894-I903 HydrophobicContact CE1-CG2 3.88Å; Y894-I903 HydrophobicContact CE2-CB 3.93Å; Y894-I903 HydrophobicContact CE2-CD1 3.5Å; Y894-I903 VanDerWaalsContact CE2-CD1 3.5Å; Y894-I903 HydrophobicContact CE2-CG1 4.29Å; Y894-I903 HydrophobicContact CE2-CG2 4.14Å; Y894-I903 PolarHBondContact N-O 3.07Å; Y894-I903 PolarHBondContact O-N 2.87Å; Y894-I903 WeakPolarHBondContact OH-CG2 3.42Å; C896-I903 HydrophobicContact CB-CD1 3.61Å; C896-I903 HydrophobicContact CB-CG1 4.09Å; G901-I903 PolarHBondContact O-N 3.38Å; I903-L907 HydrophobicContact CG2-CB 3.73Å; I903-C910 HydrophobicContact CD1-CB 3.73Å; I903-C910 HydrophobicContact CG1-CB 4.12Å; I903-F917 HydrophobicContact CD1-CD2 4.38Å; I903-F917 HydrophobicContact CD1-CE2 3.49Å; I903-F917 VanDerWaalsContact CD1-CE2 3.49Å; I903-F917 HydrophobicContact CD1-CZ 3.91Å
904	A	83.1	Confident	82.9	Confident	23 Å²	23	63.4 Å²	63.4	19%	0.19	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-59	142.8	173	0	0	0	0	0	110.2	D891 Y906 L907	D891-A904 VanDerWaalsContact OD2-CA 3.3Å; D891-A904 WeakPolarHBondContact OD2-CA 3.45Å; D891-A904 WeakPolarHBondContact OD2-CB 3.32Å; A904-Y906 HydrophobicContact CB-CD1 3.93Å; A904-Y906 HydrophobicContact CB-CD2 4.37Å; A904-Y906 HydrophobicContact CB-CE1 3.48Å; A904-Y906 VanDerWaalsContact CB-CE1 3.48Å; A904-Y906 HydrophobicContact CB-CE2 3.95Å; A904-Y906 HydrophobicContact CB-CG 4.36Å; A904-Y906 VanDerWaalsContact CB-CZ 3.49Å; A904-Y906 PolarHBondContact O-N 3.18Å; A904-L907 HydrophobicContact CB-CD1 3.99Å; A904-L907 HydrophobicContact CB-CG 4.17Å; A904-L907 PolarHBondContact O-N 2.83Å
905	S	79.7	Confident	82.9	Confident	23 Å²	23	66.8 Å²	66.8	16%	0.161	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-14.6	-171.2	74	0	0	0	0	113.5	K817 D891	K817-S905 WeakPolarHBondContact CD-O 3.49Å; K817-S905 VanDerWaalsContact CE-O 3.24Å; K817-S905 WeakPolarHBondContact CE-O 3.2Å; K817-S905 PolarHBondContact NZ-O 3.43Å; K817-S905 PolarHBondContact NZ-OG 3.3Å; K817-S905 VanDerWaalsContact NZ-OG 3.08Å; D891-S905 VanDerWaalsContact OD1-CB 3.22Å; D891-S905 WeakPolarHBondContact OD1-CB 3.49Å; D891-S905 PolarHBondContact OD1-OG 3.26Å; D891-S905 PolarHBondContact OD2-N 3.23Å; D891-S905 PolarHBondContact OD2-OG 2.95Å
906	Y	79.9	Confident	82.8	Confident	55 Å²	55	65.1 Å²	65.1	22%	0.216	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-6.4	176.3	58.8	-101.1	0	0	0	114.7	M816 L820 Y847 I850 A904	M816-Y906 HydrophobicContact CE-CD1 4.36Å; M816-Y906 HydrophobicContact CE-CG 4.36Å; L820-Y906 HydrophobicContact CD1-CD2 3.63Å; L820-Y906 HydrophobicContact CD1-CE2 4.45Å; L820-Y906 HydrophobicContact CD1-CG 4.07Å; Y847-Y906 HydrophobicContact CD1-CE1 4.47Å; Y847-Y906 HydrophobicContact CE1-CD1 4.07Å; Y847-Y906 AromaticContact CE1-CE1 3.88Å; Y847-Y906 HydrophobicContact CE1-CE1 3.88Å; I850-Y906 HydrophobicContact CD1-CE1 4.37Å; I850-Y906 HydrophobicContact CD1-CE2 4.25Å; A904-Y906 HydrophobicContact CB-CD1 3.93Å; A904-Y906 HydrophobicContact CB-CD2 4.37Å; A904-Y906 HydrophobicContact CB-CE1 3.48Å; A904-Y906 VanDerWaalsContact CB-CE1 3.48Å; A904-Y906 HydrophobicContact CB-CE2 3.95Å; A904-Y906 HydrophobicContact CB-CG 4.36Å; A904-Y906 VanDerWaalsContact CB-CZ 3.49Å; A904-Y906 PolarHBondContact O-N 3.18Å
907	L	82.8	Confident	83	Confident	64 Å²	64	65.9 Å²	65.9	34%	0.335	37%	0.37	S	S	.	.			trans	-92.2	140.9	177.3	-67.3	173.8	0	0	0	110.9	Y894 I903 A904	Y894-L907 PolarHBondContact OH-O 3.47Å; I903-L907 HydrophobicContact CG2-CB 3.73Å; A904-L907 HydrophobicContact CB-CD1 3.99Å; A904-L907 HydrophobicContact CB-CG 4.17Å; A904-L907 PolarHBondContact O-N 2.83Å
908	T	82.3	Confident	83.2	Confident	28 Å²	28	63.6 Å²	63.6	17%	0.172	35%	0.354	C	S	.	.	S	Bend	trans	-104.1	-8.2	175.2	57.3	0	0	0	0	112.7	S916 F917 V919	T908-S916 CarbonylContact O-C 3.41Å; T908-S916 WeakPolarHBondContact O-CA 3.24Å; T908-F917 WeakPolarHBondContact O-CD2 3.46Å; T908-F917 PolarHBondContact O-N 2.69Å; T908-V919 HydrophobicContact CG2-CG2 3.47Å; T908-V919 VanDerWaalsContact CG2-CG2 3.47Å
909	R	84.9	Confident	83.5	Confident	126 Å²	126	61.9 Å²	61.9	48%	0.475	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	-123.3	138.8	175.1	-57.7	-173.5	-164.3	-169.5	9.5	109.7	D824 P911 R915	D824-R909 IonicContact OD2-NH2 3.22Å; D824-R909 PolarHBondContact OD2-NH2 3.15Å; D824-R909 VanDerWaalsContact OD2-NH2 3.12Å; R909-P911 WeakPolarHBondContact O-CD 3.49Å; R909-R915 WeakPolarHBondContact CA-O 3.18Å
910	C	83.9	Confident	83.7	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.007	32%	0.318	C	S	.	.			trans	-74.6	121.9	178	-175.7	0	0	0	0	110.7	C896 C899 I903 N912 C913 D914 R915 F917	C896-C910 HydrophobicContact CB-CB 4.5Å; C896-C910 VanDerWaalsContact SG-SG 3.63Å; C899-C910 PolarHBondContact SG-SG 3.45Å; I903-C910 HydrophobicContact CD1-CB 3.73Å; I903-C910 HydrophobicContact CG1-CB 4.12Å; C910-N912 PolarHBondContact O-N 3.45Å; C910-N912 VanDerWaalsContact O-N 3.15Å; C910-C913 PolarHBondContact O-N 2.87Å; C910-C913 VanDerWaalsContact SG-SG 3.62Å; C910-D914 VanDerWaalsContact O-CA 3.24Å; C910-D914 WeakPolarHBondContact O-CA 3.3Å; C910-D914 PolarHBondContact O-N 2.99Å; C910-R915 PolarHBondContact N-O 3.32Å; C910-F917 HydrophobicContact CB-CE2 4.3Å
911	P	82.7	Confident	84	Confident	89 Å²	89	51.4 Å²	51.4	58%	0.578	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-20.4	179.8	25.3	-33.8	0	0	0	113.8	R909	R909-P911 WeakPolarHBondContact O-CD 3.49Å
912	N	83.4	Confident	84.4	Confident	115 Å²	115	52.6 Å²	52.6	62%	0.615	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-26.1	-175.9	-68.7	-0.8	0	0	0	114.1	C899 C910	C899-N912 HydrophobicContact CB-CB 4.48Å; C899-N912 VanDerWaalsContact SG-CB 3.55Å; C910-N912 PolarHBondContact O-N 3.45Å; C910-N912 VanDerWaalsContact O-N 3.15Å
913	C	86.7	Confident	84.6	Confident	57 Å²	57	49.6 Å²	49.6	39%	0.385	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.2	4.9	-176.4	68.5	0	0	0	0	114.7	C899 C910 R915	C899-C913 HydrophobicContact CB-CB 3.92Å; C910-C913 PolarHBondContact O-N 2.87Å; C910-C913 VanDerWaalsContact SG-SG 3.62Å; C913-R915 PolarHBondContact O-N 2.79Å
914	D	81.6	Confident	84.8	Confident	118 Å²	118	49.7 Å²	49.7	63%	0.631	27%	0.271	S	S	*	.			trans	56.6	18.9	177.7	-149.9	20.2	0	0	0	115.7	C910 S916	C910-D914 VanDerWaalsContact O-CA 3.24Å; C910-D914 WeakPolarHBondContact O-CA 3.3Å; C910-D914 PolarHBondContact O-N 2.99Å; D914-S916 PolarHBondContact O-N 2.82Å
915	R	83.2	Confident	85	Confident	109 Å²	109	54 Å²	54	41%	0.411	29%	0.285	S	S	.	.			trans	-70	124.6	174.2	-168.9	173.6	-174.1	-179.7	-0.3	110.2	R909 C910 C913 F917	R909-R915 WeakPolarHBondContact CA-O 3.18Å; C910-R915 PolarHBondContact N-O 3.32Å; C913-R915 PolarHBondContact O-N 2.79Å; R915-F917 HydrophobicContact CG-CZ 4.41Å; R915-F917 WeakPolarHBondContact O-CE2 3.42Å
916	S	83.1	Confident	85.3	Confident	86 Å²	86	54.3 Å²	54.3	60%	0.601	29%	0.286	S	S	*	.	B	Isolated β-bridge	trans	-86.8	140.3	175.2	62.7	0	0	0	0	112.3	T908 D914	T908-S916 CarbonylContact O-C 3.41Å; T908-S916 WeakPolarHBondContact O-CA 3.24Å; D914-S916 PolarHBondContact O-N 2.82Å
917	F	86	Confident	85.6	Confident	19 Å²	19	52.1 Å²	52.1	8%	0.083	28%	0.278	C	S	.	.			trans	-113.8	137.2	175.5	-60	-88.6	0	0	0	109.7	Y894 P897 I903 T908 C910 R915 T926	Y894-F917 HydrophobicContact CE2-CD2 4.33Å; Y894-F917 HydrophobicContact CE2-CE2 4.3Å; Y894-F917 HydrophobicContact CE2-CZ 4.49Å; P897-F917 HydrophobicContact CG-CE1 3.97Å; P897-F917 HydrophobicContact CG-CZ 4.31Å; I903-F917 HydrophobicContact CD1-CD2 4.38Å; I903-F917 HydrophobicContact CD1-CE2 3.49Å; I903-F917 VanDerWaalsContact CD1-CE2 3.49Å; I903-F917 HydrophobicContact CD1-CZ 3.91Å; T908-F917 WeakPolarHBondContact O-CD2 3.46Å; T908-F917 PolarHBondContact O-N 2.69Å; C910-F917 HydrophobicContact CB-CE2 4.3Å; R915-F917 HydrophobicContact CG-CZ 4.41Å; R915-F917 WeakPolarHBondContact O-CE2 3.42Å; F917-T926 HydrophobicContact CB-CG2 3.34Å; F917-T926 HydrophobicContact CG-CG2 4.21Å
918	P	85.6	Confident	85.5	Confident	38 Å²	38	52.8 Å²	52.8	25%	0.247	29%	0.285	C	S	.	.			trans	-70.6	151.1	-179.8	25.4	-27.8	0	0	0	111.6	I927 M933 N942	P918-I927 HydrophobicContact CG-CB 4.28Å; P918-I927 PolarHBondContact O-N 2.7Å; P918-M933 HydrophobicContact CG-CE 3.44Å; P918-M933 VanDerWaalsContact CG-CE 3.44Å; P918-M933 HydrophobicContact CG-SD 4.29Å; P918-N942 HydrophobicContact CB-CB 4.26Å
919	V	87.7	Confident	85.5	Confident	15 Å²	15	55.2 Å²	55.2	9%	0.091	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-106.4	129.5	179.3	-179.9	0	0	0	0	109.1	Y799 L821 T908 L921 G924	Y799-V919 HydrophobicContact CE1-CG1 4.04Å; L821-V919 HydrophobicContact CD2-CB 4.38Å; L821-V919 HydrophobicContact CD2-CG1 4.32Å; L821-V919 HydrophobicContact CD2-CG2 4.08Å; T908-V919 HydrophobicContact CG2-CG2 3.47Å; T908-V919 VanDerWaalsContact CG2-CG2 3.47Å; V919-L921 PolarHBondContact O-N 3.37Å; V919-G924 WeakPolarHBondContact CG1-O 3.22Å
920	C	90.3	Very high	85.2	Confident	1 Å²	1	56 Å²	56	1%	0.007	31%	0.306	C	S	.	.			trans	-62.6	123.4	179	176.8	0	0	0	0	111.1	V922 T923 G924 K925 I927 D944	C920-V922 PolarHBondContact O-N 3.04Å; C920-V922 PolarHBondContact SG-N 3.32Å; C920-T923 WeakPolarHBondContact CB-OG1 3.34Å; C920-T923 PolarHBondContact SG-OG1 3.42Å; C920-T923 VanDerWaalsContact SG-OG1 3.35Å; C920-G924 VanDerWaalsContact O-CA 3.27Å; C920-G924 WeakPolarHBondContact O-CA 3.06Å; C920-G924 PolarHBondContact O-N 3.38Å; C920-K925 WeakPolarHBondContact CB-O 3.19Å; C920-K925 PolarHBondContact N-O 2.97Å; C920-I927 HydrophobicContact CB-CD1 3.99Å; C920-I927 HydrophobicContact CB-CG1 3.99Å; C920-D944 HydrophobicContact CB-CB 4.48Å; C920-D944 PolarHBondContact SG-N 3.15Å
921	L	90	Very high	85	Confident	1 Å²	1	64.5 Å²	64.5	1%	0.005	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-28.2	177.2	-71.3	173.3	0	0	0	114.1	H798 L802 V919 H941 N942 A943 L956	H798-L921 PolarHBondContact NE2-O 3.1Å; L802-L921 WeakPolarHBondContact CD2-O 3.4Å; V919-L921 PolarHBondContact O-N 3.37Å; L921-H941 HydrophobicContact CD1-CB 3.36Å; L921-H941 HydrophobicContact CD2-CB 4.28Å; L921-H941 HydrophobicContact CG-CB 4.11Å; L921-N942 WeakPolarHBondContact CG-O 3.38Å; L921-N942 PolarHBondContact N-O 2.69Å; L921-N942 VanDerWaalsContact N-O 3.14Å; L921-A943 HydrophobicContact CB-CB 4.48Å; L921-L956 HydrophobicContact CD1-CB 4Å; L921-L956 HydrophobicContact CD2-CB 4.25Å; L921-L956 HydrophobicContact CD2-CD2 4.24Å
922	V	89.3	Confident	85	Confident	35 Å²	35	61.5 Å²	61.5	21%	0.212	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-45.4	-177.6	-179.3	0	0	0	0	111.5	L802 C920 A943 A947 M948 P955	L802-V922 WeakPolarHBondContact CD1-O 3.22Å; C920-V922 PolarHBondContact O-N 3.04Å; C920-V922 PolarHBondContact SG-N 3.32Å; V922-A943 HydrophobicContact CG2-CB 4.32Å; V922-A947 HydrophobicContact CB-CB 4.02Å; V922-A947 HydrophobicContact CG1-CB 4.09Å; V922-A947 HydrophobicContact CG2-CB 4.49Å; V922-M948 HydrophobicContact CG2-SD 3.55Å; V922-M948 VanDerWaalsContact CG2-SD 3.55Å; V922-P955 HydrophobicContact CG2-CG 3.68Å
923	T	88.1	Confident	85.1	Confident	38 Å²	38	58.8 Å²	58.8	23%	0.233	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-14.6	-168.5	63.3	0	0	0	0	113.8	I806 T814 C920 K925 A947	I806-T923 WeakPolarHBondContact CD1-O 3.4Å; T814-T923 WeakPolarHBondContact CG2-O 3.3Å; C920-T923 WeakPolarHBondContact CB-OG1 3.34Å; C920-T923 PolarHBondContact SG-OG1 3.42Å; C920-T923 VanDerWaalsContact SG-OG1 3.35Å; T923-K925 PolarHBondContact O-N 3.22Å; T923-K925 PolarHBondContact OG1-N 3.44Å; T923-A947 HydrophobicContact CG2-CB 3.7Å
924	G	86.1	Confident	85.3	Confident	3 Å²	3	58.7 Å²	58.7	3%	0.031	30%	0.303	C	S	.	.			trans	68.5	6.7	-173.2	0	0	0	0	0	114.8	V919 C920	V919-G924 WeakPolarHBondContact CG1-O 3.22Å; C920-G924 VanDerWaalsContact O-CA 3.27Å; C920-G924 WeakPolarHBondContact O-CA 3.06Å; C920-G924 PolarHBondContact O-N 3.38Å
925	K	86.7	Confident	85.6	Confident	114 Å²	114	56.4 Å²	56.4	50%	0.496	29%	0.293	S	S	.	.			trans	-81.6	146.6	176.9	-64.8	-178.5	-179.1	177.2	0	111	T814 C920 T923 I927	T814-K925 HydrophobicContact CG2-CG 4.25Å; C920-K925 WeakPolarHBondContact CB-O 3.19Å; C920-K925 PolarHBondContact N-O 2.97Å; T923-K925 PolarHBondContact O-N 3.22Å; T923-K925 PolarHBondContact OG1-N 3.44Å; K925-I927 PolarHBondContact O-N 2.9Å
926	T	86.7	Confident	85.9	Confident	28 Å²	28	51.5 Å²	51.5	17%	0.172	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-68.8	126.6	174.4	-49.8	0	0	0	0	110.4	F917 T928	F917-T926 HydrophobicContact CB-CG2 3.34Å; F917-T926 HydrophobicContact CG-CG2 4.21Å; T926-T928 PolarHBondContact O-N 2.98Å
927	I	85.7	Confident	86	Confident	9 Å²	9	55 Å²	55	5%	0.046	28%	0.28	C	S	.	.			trans	-86	106.8	176.7	-58.6	168.5	0	0	0	107.8	P918 C920 K925 D929 M933 N942	P918-I927 HydrophobicContact CG-CB 4.28Å; P918-I927 PolarHBondContact O-N 2.7Å; C920-I927 HydrophobicContact CB-CD1 3.99Å; C920-I927 HydrophobicContact CB-CG1 3.99Å; K925-I927 PolarHBondContact O-N 2.9Å; I927-D929 WeakPolarHBondContact CG2-O 3.37Å; I927-M933 HydrophobicContact CG2-CB 4.45Å; I927-M933 HydrophobicContact CG2-CE 4.11Å; I927-N942 HydrophobicContact CD1-CB 4.32Å
928	T	82.5	Confident	85.9	Confident	79 Å²	79	57 Å²	57	49%	0.485	29%	0.293	S	S	.	.			trans	-92.9	-31.2	179.3	52.4	0	0	0	0	112.6	Y894 T926	Y894-T928 HydrophobicContact CD2-CG2 3.57Å; Y894-T928 HydrophobicContact CE2-CG2 3.72Å; Y894-T928 HydrophobicContact CG-CG2 4.03Å; T926-T928 PolarHBondContact O-N 2.98Å
929	D	81.1	Confident	86	Confident	79 Å²	79	55.3 Å²	55.3	42%	0.422	28%	0.283	S	S	.	.			trans	-88.8	126.4	175.7	-174.4	9.7	0	0	0	110.7	I927 Q931 S932	I927-D929 WeakPolarHBondContact CG2-O 3.37Å; D929-Q931 VanDerWaalsContact C-N 3.3Å; D929-Q931 PolarHBondContact OD1-N 3.33Å; D929-S932 PolarHBondContact O-OG 2.89Å
930	Q	78.1	Confident	85.9	Confident	143 Å²	143	63.1 Å²	63.1	67%	0.668	31%	0.311	S	S	*	.	S	Bend	trans	-74.8	-22.2	177.4	-68.4	-174.1	-26.6	0	0	112.3	M933	Q930-M933 WeakPolarHBondContact O-CB 3.21Å; Q930-M933 PolarHBondContact O-N 3.23Å
931	Q	81.3	Confident	85.8	Confident	178 Å²	178	64 Å²	64	83%	0.832	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-27.2	-178.1	-63.1	-174	-9.4	0	0	112.8	D929 M933	D929-Q931 VanDerWaalsContact C-N 3.3Å; D929-Q931 PolarHBondContact OD1-N 3.33Å; Q931-M933 VanDerWaalsContact C-N 3.28Å; Q931-M933 PolarHBondContact O-N 3.46Å
932	S	82.1	Confident	85.8	Confident	27 Å²	27	65.9 Å²	65.9	19%	0.189	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	10.3	176.7	65.5	0	0	0	0	113.7	D929 W934 D944 S945	D929-S932 PolarHBondContact O-OG 2.89Å; S932-W934 PolarHBondContact O-N 2.96Å; S932-D944 CarbonylContact O-C 3.52Å; S932-D944 WeakPolarHBondContact O-CA 3.48Å; S932-S945 PolarHBondContact O-N 3.36Å; S932-S945 PolarHBondContact O-OG 3.42Å; S932-S945 VanDerWaalsContact O-OG 3.12Å
933	M	86.3	Confident	85.9	Confident	57 Å²	57	64.2 Å²	64.2	28%	0.281	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	109.4	-174.5	-168	179.2	-57	0	0	111.9	P918 I927 Q930 Q931 N942	P918-M933 HydrophobicContact CG-CE 3.44Å; P918-M933 VanDerWaalsContact CG-CE 3.44Å; P918-M933 HydrophobicContact CG-SD 4.29Å; I927-M933 HydrophobicContact CG2-CB 4.45Å; I927-M933 HydrophobicContact CG2-CE 4.11Å; Q930-M933 WeakPolarHBondContact O-CB 3.21Å; Q930-M933 PolarHBondContact O-N 3.23Å; Q931-M933 VanDerWaalsContact C-N 3.28Å; Q931-M933 PolarHBondContact O-N 3.46Å; M933-N942 HydrophobicContact CG-CB 3.99Å; M933-N942 HydrophobicContact SD-CB 4.22Å
934	W	89.9	Confident	85.9	Confident	56 Å²	56	64.4 Å²	64.4	21%	0.212	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	139.8	165.6	178.7	90.5	0	0	0	110.1	S932 C936 N942 A943 M948 C954 I961	S932-W934 PolarHBondContact O-N 2.96Å; W934-C936 HydrophobicContact CH2-CB 3.52Å; W934-C936 HydrophobicContact CZ2-CB 4.37Å; W934-C936 HydrophobicContact CZ3-CB 3.71Å; W934-N942 CarbonylContact O-C 3.57Å; W934-N942 VanDerWaalsContact O-CA 3.23Å; W934-N942 WeakPolarHBondContact O-CA 3.46Å; W934-A943 HydrophobicContact CE3-CB 3.87Å; W934-A943 HydrophobicContact CZ3-CB 4.46Å; W934-A943 PolarHBondContact N-O 2.94Å; W934-A943 PolarHBondContact O-N 3.13Å; W934-M948 HydrophobicContact CB-CG 4.23Å; W934-M948 HydrophobicContact CD2-CE 4.04Å; W934-M948 HydrophobicContact CD2-CG 3.98Å; W934-M948 HydrophobicContact CD2-SD 4.45Å; W934-M948 HydrophobicContact CE3-CE 3.85Å; W934-M948 HydrophobicContact CE3-CG 4.01Å; W934-M948 HydrophobicContact CE3-SD 4.01Å; W934-M948 HydrophobicContact CG-CG 4.09Å; W934-M948 HydrophobicContact CH2-CE 3.6Å; W934-M948 HydrophobicContact CZ2-CE 3.83Å; W934-M948 HydrophobicContact CZ3-CE 3.62Å; W934-M948 HydrophobicContact CZ3-SD 4.1Å; W934-C954 HydrophobicContact CH2-CB 4.32Å; W934-I961 HydrophobicContact CH2-CD1 4.39Å; W934-I961 HydrophobicContact CH2-CG1 4.19Å; W934-I961 HydrophobicContact CZ2-CD1 4.24Å; W934-I961 HydrophobicContact CZ2-CG1 3.88Å; W934-I961 HydrophobicContact CZ2-CG2 4Å
935	T	89	Confident	86	Confident	70 Å²	70	66.6 Å²	66.6	43%	0.429	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	128	178.4	-53.4	0	0	0	0	110.2	H941 N942	T935-H941 WeakPolarHBondContact CA-O 3.44Å; T935-N942 PolarHBondContact OG1-OD1 3.35Å; T935-N942 VanDerWaalsContact OG1-OD1 3.12Å
936	C	88.5	Confident	86.1	Confident	6 Å²	6	65.7 Å²	65.7	4%	0.041	33%	0.333	C	S	.	.			trans	-67.4	132.8	176.4	179.9	0	0	0	0	111.4	W934 T938 C939 R940 H941 C954 C957	W934-C936 HydrophobicContact CH2-CB 3.52Å; W934-C936 HydrophobicContact CZ2-CB 4.37Å; W934-C936 HydrophobicContact CZ3-CB 3.71Å; C936-T938 VanDerWaalsContact C-N 3.33Å; C936-T938 PolarHBondContact O-N 3.11Å; C936-T938 PolarHBondContact SG-N 3.41Å; C936-C939 VanDerWaalsContact CB-SG 3.58Å; C936-R940 WeakPolarHBondContact O-CA 3.47Å; C936-R940 PolarHBondContact O-N 3.2Å; C936-H941 PolarHBondContact N-O 3.42Å; C936-C954 HydrophobicContact CB-CB 4.46Å; C936-C954 VanDerWaalsContact SG-SG 3.68Å; C936-C957 VanDerWaalsContact SG-SG 3.6Å
937	K	86.1	Confident	86.1	Confident	160 Å²	160	65.5 Å²	65.5	70%	0.696	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-35.2	177.9	-64.9	-177.2	-175.6	176.4	0	113.1	E962	K937-E962 IonicContact NZ-OE2 3.69Å; K937-E962 PolarHBondContact NZ-OE2 3.44Å
938	T	84	Confident	86.2	Confident	59 Å²	59	65.8 Å²	65.8	36%	0.362	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-58.5	-175.7	-47.1	0	0	0	0	112.2	L741 C936 A959	L741-T938 HydrophobicContact CD2-CG2 3.63Å; C936-T938 VanDerWaalsContact C-N 3.33Å; C936-T938 PolarHBondContact O-N 3.11Å; C936-T938 PolarHBondContact SG-N 3.41Å; T938-A959 HydrophobicContact CG2-CB 4.34Å; T938-A959 VanDerWaalsContact OG1-CB 3.32Å; T938-A959 WeakPolarHBondContact OG1-CB 3.39Å
939	C	86.4	Confident	86.1	Confident	4 Å²	4	68.9 Å²	68.9	3%	0.027	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-11.1	-176.3	70.4	0	0	0	0	114.3	W791 C936 H941 C957	W791-C939 HydrophobicContact CD2-CB 4.05Å; W791-C939 HydrophobicContact CE3-CB 3.94Å; W791-C939 HydrophobicContact CH2-CB 3.53Å; W791-C939 HydrophobicContact CZ2-CB 3.61Å; W791-C939 HydrophobicContact CZ3-CB 3.7Å; C936-C939 VanDerWaalsContact CB-SG 3.58Å; C939-H941 VanDerWaalsContact C-N 3.27Å; C939-H941 PolarHBondContact O-CE1 3.41Å; C939-H941 VanDerWaalsContact O-CE1 3.27Å; C939-H941 PolarHBondContact O-N 3.17Å; C939-H941 PolarHBondContact O-ND1 3.44Å; C939-H941 PolarHBondContact SG-ND1 3.04Å; C939-H941 VanDerWaalsContact SG-ND1 3.44Å; C939-C957 HydrophobicContact CB-CB 3.82Å
940	R	85.8	Confident	86	Confident	179 Å²	179	68.5 Å²	68.5	68%	0.675	36%	0.363	S	S	*	.			trans	60.8	28.2	-178.4	-51.9	-176.4	-176.6	176.1	3.9	115.3	C936	C936-R940 WeakPolarHBondContact O-CA 3.47Å; C936-R940 PolarHBondContact O-N 3.2Å
941	H	88.5	Confident	86.2	Confident	20 Å²	20	65.7 Å²	65.7	9%	0.093	35%	0.35	C	S	.	.			trans	-99.6	154.7	175.8	-67.2	67.5	0	0	0	112.1	W791 Q795 L921 T935 C936 C939 L956	W791-H941 AromaticContact CD2-CE1 3.99Å; W791-H941 AromaticContact CG-CE1 3.62Å; Q795-H941 WeakPolarHBondContact CG-NE2 3.34Å; Q795-H941 PolarHBondContact NE2-CD2 3.26Å; Q795-H941 PolarHBondContact NE2-NE2 3.38Å; L921-H941 HydrophobicContact CD1-CB 3.36Å; L921-H941 HydrophobicContact CD2-CB 4.28Å; L921-H941 HydrophobicContact CG-CB 4.11Å; T935-H941 WeakPolarHBondContact CA-O 3.44Å; C936-H941 PolarHBondContact N-O 3.42Å; C939-H941 VanDerWaalsContact C-N 3.27Å; C939-H941 PolarHBondContact O-CE1 3.41Å; C939-H941 VanDerWaalsContact O-CE1 3.27Å; C939-H941 PolarHBondContact O-N 3.17Å; C939-H941 PolarHBondContact O-ND1 3.44Å; C939-H941 PolarHBondContact SG-ND1 3.04Å; C939-H941 VanDerWaalsContact SG-ND1 3.44Å; H941-L956 HydrophobicContact CB-CD2 4.1Å; H941-L956 VanDerWaalsContact CD2-CD2 3.4Å; H941-L956 WeakPolarHBondContact CD2-CD2 3.49Å; H941-L956 VanDerWaalsContact CG-CD2 3.45Å
942	N	90.7	Very high	86.4	Confident	40 Å²	40	63.3 Å²	63.3	21%	0.214	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	142.4	-166.8	-56.5	-25.4	0	0	0	112.9	P918 L921 I927 M933 W934 T935	P918-N942 HydrophobicContact CB-CB 4.26Å; L921-N942 WeakPolarHBondContact CG-O 3.38Å; L921-N942 PolarHBondContact N-O 2.69Å; L921-N942 VanDerWaalsContact N-O 3.14Å; I927-N942 HydrophobicContact CD1-CB 4.32Å; M933-N942 HydrophobicContact CG-CB 3.99Å; M933-N942 HydrophobicContact SD-CB 4.22Å; W934-N942 CarbonylContact O-C 3.57Å; W934-N942 VanDerWaalsContact O-CA 3.23Å; W934-N942 WeakPolarHBondContact O-CA 3.46Å; T935-N942 PolarHBondContact OG1-OD1 3.35Å; T935-N942 VanDerWaalsContact OG1-OD1 3.12Å
943	A	90	Very high	86.8	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	165.9	168.8	0	0	0	0	0	110.2	L921 V922 W934 M948	L921-A943 HydrophobicContact CB-CB 4.48Å; V922-A943 HydrophobicContact CG2-CB 4.32Å; W934-A943 HydrophobicContact CE3-CB 3.87Å; W934-A943 HydrophobicContact CZ3-CB 4.46Å; W934-A943 PolarHBondContact N-O 2.94Å; W934-A943 PolarHBondContact O-N 3.13Å; A943-M948 HydrophobicContact CB-CG 3.74Å; A943-M948 HydrophobicContact CB-SD 3.6Å; A943-M948 VanDerWaalsContact CB-SD 3.6Å
944	D	89.1	Confident	86.9	Confident	42 Å²	42	61.9 Å²	61.9	23%	0.225	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	126.2	170.7	-172.7	-32.2	0	0	0	108.8	C920 S932 T946 A947 M948	C920-D944 HydrophobicContact CB-CB 4.48Å; C920-D944 PolarHBondContact SG-N 3.15Å; S932-D944 CarbonylContact O-C 3.52Å; S932-D944 WeakPolarHBondContact O-CA 3.48Å; D944-T946 VanDerWaalsContact CG-OG1 3.23Å; D944-T946 PolarHBondContact O-N 3.47Å; D944-T946 VanDerWaalsContact O-N 3.15Å; D944-T946 PolarHBondContact OD1-N 2.93Å; D944-T946 PolarHBondContact OD1-OG1 3Å; D944-T946 PolarHBondContact OD2-OG1 3.42Å; D944-A947 HydrophobicContact CB-CB 4.1Å; D944-A947 WeakPolarHBondContact O-CB 3.31Å; D944-A947 PolarHBondContact O-N 3.46Å; D944-M948 WeakPolarHBondContact O-CG 3.21Å; D944-M948 PolarHBondContact O-N 2.79Å; D944-M948 VanDerWaalsContact O-N 3.11Å
945	S	87.5	Confident	86.9	Confident	48 Å²	48	60.5 Å²	60.5	34%	0.336	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-33.9	179.6	-61.6	0	0	0	0	112.4	S932 M948	S932-S945 PolarHBondContact O-N 3.36Å; S932-S945 PolarHBondContact O-OG 3.42Å; S932-S945 VanDerWaalsContact O-OG 3.12Å; S945-M948 PolarHBondContact O-N 3.07Å
946	T	88.2	Confident	87.1	Confident	96 Å²	96	57.1 Å²	57.1	59%	0.589	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-33.7	177.2	61	0	0	0	0	112.6	D944 M948 L949	D944-T946 VanDerWaalsContact CG-OG1 3.23Å; D944-T946 PolarHBondContact O-N 3.47Å; D944-T946 VanDerWaalsContact O-N 3.15Å; D944-T946 PolarHBondContact OD1-N 2.93Å; D944-T946 PolarHBondContact OD1-OG1 3Å; D944-T946 PolarHBondContact OD2-OG1 3.42Å; T946-M948 VanDerWaalsContact C-N 3.3Å; T946-L949 WeakPolarHBondContact O-CB 3.5Å; T946-L949 PolarHBondContact O-N 3.07Å
947	A	86.4	Confident	87.1	Confident	23 Å²	23	57.2 Å²	57.2	19%	0.19	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-18.4	177.5	0	0	0	0	0	112.8	V922 T923 D944	V922-A947 HydrophobicContact CB-CB 4.02Å; V922-A947 HydrophobicContact CG1-CB 4.09Å; V922-A947 HydrophobicContact CG2-CB 4.49Å; T923-A947 HydrophobicContact CG2-CB 3.7Å; D944-A947 HydrophobicContact CB-CB 4.1Å; D944-A947 WeakPolarHBondContact O-CB 3.31Å; D944-A947 PolarHBondContact O-N 3.46Å
948	M	87.7	Confident	87.3	Confident	15 Å²	15	53.1 Å²	53.1	7%	0.074	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-14.1	174.7	-66.5	-60.6	-61.7	0	0	113.1	V922 W934 A943 D944 S945 T946 G950 Q951 I961	V922-M948 HydrophobicContact CG2-SD 3.55Å; V922-M948 VanDerWaalsContact CG2-SD 3.55Å; W934-M948 HydrophobicContact CB-CG 4.23Å; W934-M948 HydrophobicContact CD2-CE 4.04Å; W934-M948 HydrophobicContact CD2-CG 3.98Å; W934-M948 HydrophobicContact CD2-SD 4.45Å; W934-M948 HydrophobicContact CE3-CE 3.85Å; W934-M948 HydrophobicContact CE3-CG 4.01Å; W934-M948 HydrophobicContact CE3-SD 4.01Å; W934-M948 HydrophobicContact CG-CG 4.09Å; W934-M948 HydrophobicContact CH2-CE 3.6Å; W934-M948 HydrophobicContact CZ2-CE 3.83Å; W934-M948 HydrophobicContact CZ3-CE 3.62Å; W934-M948 HydrophobicContact CZ3-SD 4.1Å; A943-M948 HydrophobicContact CB-CG 3.74Å; A943-M948 HydrophobicContact CB-SD 3.6Å; A943-M948 VanDerWaalsContact CB-SD 3.6Å; D944-M948 WeakPolarHBondContact O-CG 3.21Å; D944-M948 PolarHBondContact O-N 2.79Å; D944-M948 VanDerWaalsContact O-N 3.11Å; S945-M948 PolarHBondContact O-N 3.07Å; T946-M948 VanDerWaalsContact C-N 3.3Å; M948-G950 PolarHBondContact O-N 3.23Å; M948-Q951 HydrophobicContact CE-CB 4.1Å; M948-Q951 PolarHBondContact O-N 2.8Å; M948-I961 HydrophobicContact CE-CD1 3.16Å; M948-I961 HydrophobicContact CE-CG1 4.23Å
949	L	81.8	Confident	87.3	Confident	145 Å²	145	51.4 Å²	51.4	76%	0.759	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	106.7	175.4	-69.1	167.4	0	0	0	109.7	T946	T946-L949 WeakPolarHBondContact O-CB 3.5Å; T946-L949 PolarHBondContact O-N 3.07Å
950	G	79.4	Confident	87.1	Confident	71 Å²	71	59.2 Å²	59.2	73%	0.732	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.6	4.1	-176.9	0	0	0	0	0	115.4	M948	M948-G950 PolarHBondContact O-N 3.23Å
951	Q	81.7	Confident	86.8	Confident	84 Å²	84	52.9 Å²	52.9	39%	0.393	31%	0.306	S	S	.	.			trans	-95.5	127.3	169.1	-62.7	-63.7	-32.2	0	0	109.8	M948 I961	M948-Q951 HydrophobicContact CE-CB 4.1Å; M948-Q951 PolarHBondContact O-N 2.8Å; Q951-I961 HydrophobicContact CB-CD1 4.1Å; Q951-I961 VanDerWaalsContact O-CD1 3.28Å; Q951-I961 WeakPolarHBondContact O-CD1 3.47Å
952	N	85.4	Confident	85.5	Confident	128 Å²	128	62.3 Å²	62.3	68%	0.684	35%	0.35	S	S	*	.	S	Bend	trans	-93.9	-13.9	177	-61.8	0.1	0	0	0	112.5	M960 I961	N952-M960 WeakPolarHBondContact O-CA 3.48Å; N952-I961 PolarHBondContact O-N 3.13Å
953	V	90.2	Very high	85.2	Confident	54 Å²	54	63.4 Å²	63.4	33%	0.327	36%	0.357	S	S	.	.	B	Isolated β-bridge	trans	-136.1	148.7	-177.9	-67.5	0	0	0	0	111.3	P955 A959 M960 I961	V953-P955 WeakPolarHBondContact O-CD 3.23Å; V953-A959 CarbonylContact C-O 3.53Å; V953-A959 VanDerWaalsContact CA-O 3.32Å; V953-A959 WeakPolarHBondContact CA-O 3.34Å; V953-M960 HydrophobicContact CG1-CG 4.33Å; V953-I961 VanDerWaalsContact C-CD1 3.41Å; V953-I961 WeakPolarHBondContact O-CD1 3.07Å
954	C	89.4	Confident	85	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	38%	0.376	C	S	.	.			trans	-61.9	125.4	173.1	178.8	0	0	0	0	110.4	W934 C936 L956 C957 H958 A959	W934-C954 HydrophobicContact CH2-CB 4.32Å; C936-C954 HydrophobicContact CB-CB 4.46Å; C936-C954 VanDerWaalsContact SG-SG 3.68Å; C954-L956 PolarHBondContact O-N 3.48Å; C954-L956 VanDerWaalsContact O-N 3.09Å; C954-C957 VanDerWaalsContact CB-SG 3.57Å; C954-C957 VanDerWaalsContact SG-SG 3.64Å; C954-H958 VanDerWaalsContact O-CA 3.26Å; C954-H958 WeakPolarHBondContact O-CA 3.17Å; C954-H958 PolarHBondContact O-N 2.75Å; C954-A959 PolarHBondContact N-O 3.01Å
955	P	90	Very high	84.8	Confident	26 Å²	26	68.1 Å²	68.1	17%	0.169	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-24	-178.4	-23.4	30.5	0	0	0	114.8	K733 V922 V953	K733-P955 PolarHBondContact NZ-O 3Å; V922-P955 HydrophobicContact CG2-CG 3.68Å; V953-P955 WeakPolarHBondContact O-CD 3.23Å
956	L	91.4	Very high	84.6	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-61.5	-179.8	-176.8	63.3	0	0	0	111.9	K733 V737 W791 A794 Q795 H798 L921 H941 C954	K733-L956 WeakPolarHBondContact CE-O 3.26Å; V737-L956 WeakPolarHBondContact CG2-O 3.23Å; W791-L956 HydrophobicContact CE3-CD2 4.28Å; A794-L956 HydrophobicContact CB-CD1 4.18Å; Q795-L956 HydrophobicContact CG-CD2 4.37Å; H798-L956 HydrophobicContact CB-CD1 3.69Å; L921-L956 HydrophobicContact CD1-CB 4Å; L921-L956 HydrophobicContact CD2-CB 4.25Å; L921-L956 HydrophobicContact CD2-CD2 4.24Å; H941-L956 HydrophobicContact CB-CD2 4.1Å; H941-L956 VanDerWaalsContact CD2-CD2 3.4Å; H941-L956 WeakPolarHBondContact CD2-CD2 3.49Å; H941-L956 VanDerWaalsContact CG-CD2 3.45Å; C954-L956 PolarHBondContact O-N 3.48Å; C954-L956 VanDerWaalsContact O-N 3.09Å
957	C	89.8	Confident	84.4	Confident	7 Å²	7	67.6 Å²	67.6	5%	0.047	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-6.4	-171.3	70.1	0	0	0	0	115.1	V737 W791 C936 C939 C954 A959	V737-C957 HydrophobicContact CG1-CB 4.49Å; W791-C957 HydrophobicContact CH2-CB 3.63Å; W791-C957 HydrophobicContact CZ3-CB 3.65Å; C936-C957 VanDerWaalsContact SG-SG 3.6Å; C939-C957 HydrophobicContact CB-CB 3.82Å; C954-C957 VanDerWaalsContact CB-SG 3.57Å; C954-C957 VanDerWaalsContact SG-SG 3.64Å; C957-A959 PolarHBondContact O-N 3.02Å; C957-A959 VanDerWaalsContact O-N 3.14Å
958	H	88.9	Confident	84.2	Confident	74 Å²	74	70.6 Å²	70.6	34%	0.343	39%	0.387	S	S	.	.			trans	63.3	10.4	180	-55.1	-82.7	0	0	0	115.7	K733 Y734 C954	K733-H958 PolarHBondContact NZ-NE2 3Å; Y734-H958 AromaticContact CE1-CD2 3.9Å; Y734-H958 AromaticContact CE1-NE2 3.55Å; C954-H958 VanDerWaalsContact O-CA 3.26Å; C954-H958 WeakPolarHBondContact O-CA 3.17Å; C954-H958 PolarHBondContact O-N 2.75Å
959	A	85.3	Confident	84	Confident	24 Å²	24	74.6 Å²	74.6	20%	0.198	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-63.7	140.2	169.5	0	0	0	0	0	110.6	T938 V953 C954 C957	T938-A959 HydrophobicContact CG2-CB 4.34Å; T938-A959 VanDerWaalsContact OG1-CB 3.32Å; T938-A959 WeakPolarHBondContact OG1-CB 3.39Å; V953-A959 CarbonylContact C-O 3.53Å; V953-A959 VanDerWaalsContact CA-O 3.32Å; V953-A959 WeakPolarHBondContact CA-O 3.34Å; C954-A959 PolarHBondContact N-O 3.01Å; C957-A959 PolarHBondContact O-N 3.02Å; C957-A959 VanDerWaalsContact O-N 3.14Å
960	M	82.6	Confident	84.2	Confident	167 Å²	167	69.2 Å²	69.2	82%	0.823	38%	0.382	S	S	*	.	B	Isolated β-bridge	trans	-61.2	141.7	173.6	-69.6	-164.2	-169.2	0	0	110.7	N952 V953	N952-M960 WeakPolarHBondContact O-CA 3.48Å; V953-M960 HydrophobicContact CG1-CG 4.33Å
961	I	78	Confident	84.6	Confident	47 Å²	47	69 Å²	69	24%	0.241	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-91.8	118.1	177.2	-59.8	161.5	0	0	0	106.6	W934 M948 Q951 N952 V953	W934-I961 HydrophobicContact CH2-CD1 4.39Å; W934-I961 HydrophobicContact CH2-CG1 4.19Å; W934-I961 HydrophobicContact CZ2-CD1 4.24Å; W934-I961 HydrophobicContact CZ2-CG1 3.88Å; W934-I961 HydrophobicContact CZ2-CG2 4Å; M948-I961 HydrophobicContact CE-CD1 3.16Å; M948-I961 HydrophobicContact CE-CG1 4.23Å; Q951-I961 HydrophobicContact CB-CD1 4.1Å; Q951-I961 VanDerWaalsContact O-CD1 3.28Å; Q951-I961 WeakPolarHBondContact O-CD1 3.47Å; N952-I961 PolarHBondContact O-N 3.13Å; V953-I961 VanDerWaalsContact C-CD1 3.41Å; V953-I961 WeakPolarHBondContact O-CD1 3.07Å
962	E	62	Low	84.8	Confident	217 Å²	217	67.6 Å²	67.6	100%	1.014	35%	0.35	S	S	*	.			trans	-71.8	0	171	-70.4	176.5	-178.8	0	0	112.7	K937	K937-E962 IonicContact NZ-OE2 3.69Å; K937-E962 PolarHBondContact NZ-OE2 3.44Å

Retrieved 962 of 962 residues in 194.8 ms (Link to these results)

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