A0A3Q0KUB3_SCHMA Loading...

G-protein signalling modulator, putative

AlphaFold DB , UniProt , Accession A0A3Q0KUB3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,046 aa.

						>A0A3Q0KUB3_SCHMA|A0A3Q0KUB3
MTYSNLTIPTPCLDLAMEGERFCREGDWNKGISYFLKALAIGTDDLSCLSVVYCQLGNAYFYQQDYARALEYHRWNLALARRMGDGIGEAFATGNLGNTLQMMGKYDEAIMCFSHELTIARHLNDKRTEAGALYNLGSVYQAKGKQWLPDSGEFPADAVKAQRKAAEYYKMGLELVRVLGDRPAEGRALGSLANAYYLLSNFTEAIECYRERLKIAKEFGDLTAQRRAHSNIGNAFIFLADFNAAVEHYREALQLSVRLKDTSLEAQACFSLGNTYILLREPGTAVVFLLRHLIIARGLSDRIGEGRAHWSLANAYTALKRYDLALRCSKRHRRIACQLGDTTGYMTAQLMIGEICNLMTNIQIESSTLIGASNENDQMNLQSNNSNPTINYSSVQQSCLLDINNSKLNENILFLKNNHKLPCGTNNNKCCIDVNNNSISTTTTTISNPTNIILTNSTCTTNNFSNNSSTDLHINDENNNSNLINGLISQSLLNSSSKTIDPVENIDIANSRIEINSSQSTVTSNFPTTTIPSLTTVSTNIIDSNHTTENHSHKLVIKNDNGDDDDNNNQDDLDLELDKDLENELLENYEGILETVEFVTVTEDGQTVISQMGCLDVPTPVLSESKKENMVEFYLSAPSFRPSLSQQIDIPNLQDIEGNLESIESMSQMNRNSNLSSENLDSGNAYNTVGTSSSAVTVAAASLVEEERSVDQQEMFFSLLLESQSRRMDEQRCYLRTTGQGTPPIQSIETSNAEESNNVQLSSGNPRHTPDYDNSSLRNQIGTNEEAFFDLIEGVQGARMNDQRANLSVFPGLRSGPGLHLLDNNNDRYFGSTSSVFKSTSSCASDGLPEPRLRNNSSNNDDVTGVFDHNSTTTTTVPATRASYGGGETGRAVVRGGVGSTVAGSDVDTRGRRGHIVSSTGDLDDEFLEMIFRIQTCTRINDQRTNLPDPLTQVQSHTNPTHHNNDNGEGSREIRQPISTSEATTSNSHRELTLYTSSGAFNNLTNRYSVPAVLDNEDDGDANDLFALIQRVQSTRLDEQRCHPPL
					

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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	30.2	Very low	40.6	Very low	248 Å²	248	128.5 Å²	128.5	100%	1.222	70%	0.695	S	S	*	*				0	144.7	0	-74.5	165.8	170.1	0	0	107.4
2	T	29	Very low	44.3	Very low	122 Å²	122	117.9 Å²	117.9	75%	0.748	64%	0.638	S	S	*	*			trans	-94	121.2	-170.9	43.3	0	0	0	0	111.8
3	Y	29.8	Very low	47.3	Very low	226 Å²	226	113.7 Å²	113.7	89%	0.886	61%	0.614	S	S	*	*			trans	-140.7	74.9	153.9	-86.1	-73.1	0	0	0	108.2
4	S	28.7	Very low	50.1	Low	105 Å²	105	111 Å²	111	73%	0.734	60%	0.599	S	S	*	*			trans	-74.8	124.1	160.5	-51.2	0	0	0	0	106.7	L6	S4-L6 PolarHBondContact O-N 2.86Å
5	N	30.3	Very low	52.8	Low	131 Å²	131	106.1 Å²	106.1	70%	0.701	57%	0.573	S	S	*	*			trans	-74.4	72.7	178.6	-77.9	-18.5	0	0	0	110.7	T7	N5-T7 PolarHBondContact O-N 3.2Å; N5-T7 VanDerWaalsContact O-N 3.16Å
6	L	30.3	Very low	55	Low	147 Å²	147	99.9 Å²	99.9	77%	0.77	54%	0.54	S	S	*	.			trans	-70.2	105.3	162.9	-149	78.3	0	0	0	106.7	S4 I8	S4-L6 PolarHBondContact O-N 2.86Å; L6-I8 VanDerWaalsContact C-N 3.27Å; L6-I8 PolarHBondContact O-N 3.38Å
7	T	37.3	Very low	57	Low	84 Å²	84	98 Å²	98	52%	0.515	53%	0.528	S	S	.	.			trans	-64.8	92.2	168	32.3	0	0	0	0	108.3	N5 P9	N5-T7 PolarHBondContact O-N 3.2Å; N5-T7 VanDerWaalsContact O-N 3.16Å; T7-P9 WeakPolarHBondContact O-CD 3.24Å
8	I	38.7	Very low	58.9	Low	135 Å²	135	95.6 Å²	95.6	69%	0.692	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-61.7	120.1	173.2	-58.8	173.4	0	0	0	106.6	L6 T10	L6-I8 VanDerWaalsContact C-N 3.27Å; L6-I8 PolarHBondContact O-N 3.38Å; I8-T10 PolarHBondContact O-N 3.14Å
9	P	49.1	Very low	60.6	Low	80 Å²	80	90.5 Å²	90.5	52%	0.519	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-55.5	128.1	171.5	-24.1	35.2	0	0	0	109	T7 P11 D14	T7-P9 WeakPolarHBondContact O-CD 3.24Å; P9-P11 VanDerWaalsContact O-CD 3.29Å; P9-P11 WeakPolarHBondContact O-CD 3.46Å; P9-D14 VanDerWaalsContact CB-OD2 3.29Å; P9-D14 WeakPolarHBondContact CB-OD2 3.45Å
10	T	61.1	Low	61.9	Low	66 Å²	66	86.2 Å²	86.2	41%	0.405	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-69.1	119.1	178.1	43.6	0	0	0	0	107.6	I8 C12 L13 D14	I8-T10 PolarHBondContact O-N 3.14Å; T10-C12 PolarHBondContact O-N 3.16Å; T10-L13 WeakPolarHBondContact O-CB 3.36Å; T10-L13 PolarHBondContact O-N 2.87Å; T10-L13 WeakPolarHBondContact OG1-CB 3.2Å; T10-D14 PolarHBondContact O-N 3.12Å
11	P	81.8	Confident	63.2	Low	70 Å²	70	86.6 Å²	86.6	46%	0.455	46%	0.457	S	S	.	.	H	α-helix	trans	-65	-14.6	-171.3	20.8	-30.2	0	0	0	113.6	P9 L15 I41	P9-P11 VanDerWaalsContact O-CD 3.29Å; P9-P11 WeakPolarHBondContact O-CD 3.46Å; P11-L15 WeakPolarHBondContact O-CD1 3.04Å; P11-L15 WeakPolarHBondContact O-CG 3.48Å; P11-L15 PolarHBondContact O-N 2.86Å; P11-I41 HydrophobicContact CB-CD1 4.02Å; P11-I41 HydrophobicContact CB-CG2 4.47Å; P11-I41 HydrophobicContact CG-CD1 4.48Å; P11-I41 HydrophobicContact CG-CG2 4.01Å
12	C	85.4	Confident	66.1	Low	1 Å²	1	76 Å²	76	1%	0.007	40%	0.404	C	S	.	.	H	α-helix	trans	-67.2	-45.2	166.3	-179	0	0	0	0	112.6	T10 L15 A16 A38 I41 G42	T10-C12 PolarHBondContact O-N 3.16Å; C12-L15 PolarHBondContact O-N 2.94Å; C12-A16 WeakPolarHBondContact O-CB 3.37Å; C12-A16 PolarHBondContact O-N 3.37Å; C12-A38 WeakPolarHBondContact O-CB 3.39Å; C12-A38 PolarHBondContact SG-O 3.19Å; C12-A38 VanDerWaalsContact SG-O 3.38Å; C12-I41 HydrophobicContact CB-CG2 4.47Å; C12-G42 WeakPolarHBondContact CB-O 3.49Å
13	L	82.8	Confident	68.8	Low	63 Å²	63	70.1 Å²	70.1	33%	0.33	37%	0.369	S	S	.	.	H	α-helix	trans	-68.7	-41.6	-178.7	-178.2	62.4	0	0	0	112	T10 L15 A16 M17	T10-L13 WeakPolarHBondContact O-CB 3.36Å; T10-L13 PolarHBondContact O-N 2.87Å; T10-L13 WeakPolarHBondContact OG1-CB 3.2Å; L13-L15 VanDerWaalsContact C-N 3.33Å; L13-L15 PolarHBondContact O-N 3.37Å; L13-A16 WeakPolarHBondContact O-CB 3.32Å; L13-A16 PolarHBondContact O-N 3.42Å; L13-A16 VanDerWaalsContact O-N 3.11Å; L13-M17 HydrophobicContact CG-CE 4.34Å; L13-M17 WeakPolarHBondContact O-CG 3.28Å; L13-M17 PolarHBondContact O-N 2.8Å
14	D	87	Confident	71.3	Confident	76 Å²	76	63.4 Å²	63.4	41%	0.406	34%	0.342	S	S	.	.	H	α-helix	trans	-60.2	-43.6	176	-69.7	-17.6	0	0	0	111.4	P9 T10 A16 M17 E18	P9-D14 VanDerWaalsContact CB-OD2 3.29Å; P9-D14 WeakPolarHBondContact CB-OD2 3.45Å; T10-D14 PolarHBondContact O-N 3.12Å; D14-A16 VanDerWaalsContact C-N 3.33Å; D14-A16 PolarHBondContact O-N 2.69Å; D14-M17 PolarHBondContact O-N 3.03Å; D14-M17 WeakPolarHBondContact OD1-CE 3.48Å; D14-E18 WeakPolarHBondContact O-CB 3.47Å; D14-E18 PolarHBondContact O-N 2.79Å
15	L	91	Very high	74.1	Confident	38 Å²	38	63.1 Å²	63.1	20%	0.199	33%	0.328	C	S	.	.	H	α-helix	trans	-67.5	-31.7	174.4	-69.6	172.3	0	0	0	112.7	P11 C12 L13 G19 Y34 K37 A38 I41	P11-L15 WeakPolarHBondContact O-CD1 3.04Å; P11-L15 WeakPolarHBondContact O-CG 3.48Å; P11-L15 PolarHBondContact O-N 2.86Å; C12-L15 PolarHBondContact O-N 2.94Å; L13-L15 VanDerWaalsContact C-N 3.33Å; L13-L15 PolarHBondContact O-N 3.37Å; L15-G19 PolarHBondContact O-N 3.41Å; L15-Y34 HydrophobicContact CD2-CD1 3.62Å; L15-Y34 HydrophobicContact CD2-CE1 3.88Å; L15-K37 HydrophobicContact CD1-CB 3.86Å; L15-A38 HydrophobicContact CB-CB 3.9Å; L15-I41 HydrophobicContact CD1-CD1 3.55Å; L15-I41 HydrophobicContact CD1-CG1 4.34Å
16	A	88.1	Confident	76.5	Confident	6 Å²	6	57.6 Å²	57.6	5%	0.05	30%	0.303	C	S	.	.	H	α-helix	trans	-67.6	-45.7	174.5	0	0	0	0	0	111.5	C12 L13 D14 E18 G19 E20 F35 V52	C12-A16 WeakPolarHBondContact O-CB 3.37Å; C12-A16 PolarHBondContact O-N 3.37Å; L13-A16 WeakPolarHBondContact O-CB 3.32Å; L13-A16 PolarHBondContact O-N 3.42Å; L13-A16 VanDerWaalsContact O-N 3.11Å; D14-A16 VanDerWaalsContact C-N 3.33Å; D14-A16 PolarHBondContact O-N 2.69Å; A16-E18 VanDerWaalsContact C-N 3.35Å; A16-E18 PolarHBondContact O-N 3.28Å; A16-G19 PolarHBondContact O-N 3.41Å; A16-E20 WeakPolarHBondContact O-CB 3.27Å; A16-E20 PolarHBondContact O-N 2.93Å; A16-F35 HydrophobicContact CB-CD1 4.39Å; A16-F35 HydrophobicContact CB-CE1 4.43Å; A16-F35 WeakPolarHBondContact O-CE1 3.4Å; A16-V52 HydrophobicContact CB-CG2 3.61Å
17	M	88.6	Confident	79.3	Confident	68 Å²	68	52.8 Å²	52.8	34%	0.335	28%	0.278	S	S	.	.	H	α-helix	trans	-62.3	-41.1	175.3	-67.8	-173.2	-65.2	0	0	111.8	L13 D14 E20 R21 L719	L13-M17 HydrophobicContact CG-CE 4.34Å; L13-M17 WeakPolarHBondContact O-CG 3.28Å; L13-M17 PolarHBondContact O-N 2.8Å; D14-M17 PolarHBondContact O-N 3.03Å; D14-M17 WeakPolarHBondContact OD1-CE 3.48Å; M17-E20 PolarHBondContact O-N 3.43Å; M17-R21 PolarHBondContact O-N 3.32Å; M17-L719 HydrophobicContact CG-CD1 4.25Å
18	E	90.8	Very high	81.7	Confident	54 Å²	54	49.8 Å²	49.8	25%	0.252	26%	0.257	S	S	.	.	H	α-helix	trans	-62.3	-43.7	174.9	-172.3	64.5	-157.5	0	0	111.7	D14 A16 E20 R21 F22 Y34	D14-E18 WeakPolarHBondContact O-CB 3.47Å; D14-E18 PolarHBondContact O-N 2.79Å; A16-E18 VanDerWaalsContact C-N 3.35Å; A16-E18 PolarHBondContact O-N 3.28Å; E18-E20 VanDerWaalsContact C-N 3.35Å; E18-E20 PolarHBondContact O-N 3.18Å; E18-R21 PolarHBondContact O-N 3.43Å; E18-R21 IonicContact OE1-CZ 2.77Å; E18-R21 VanDerWaalsContact OE1-CZ 3.31Å; E18-R21 IonicContact OE1-NH1 3.84Å; E18-R21 PolarHBondContact OE1-NH1 2.66Å; E18-R21 IonicContact OE1-NH2 3.1Å; E18-R21 PolarHBondContact OE1-NH2 2.72Å; E18-R21 IonicContact OE2-CZ 2.64Å; E18-R21 IonicContact OE2-NH1 3.1Å; E18-R21 PolarHBondContact OE2-NH1 2.76Å; E18-R21 IonicContact OE2-NH2 3.68Å; E18-F22 HydrophobicContact CG-CD2 4.26Å; E18-F22 HydrophobicContact CG-CE2 3.93Å; E18-F22 VanDerWaalsContact O-CD2 3.26Å; E18-F22 WeakPolarHBondContact O-CD2 2.97Å; E18-F22 PolarHBondContact O-N 3.36Å; E18-F22 VanDerWaalsContact O-N 3.11Å; E18-F22 WeakPolarHBondContact OE1-CE2 3.2Å; E18-Y34 HydrophobicContact CB-CD1 3.97Å; E18-Y34 HydrophobicContact CB-CE1 4.3Å; E18-Y34 HydrophobicContact CB-CG 4.39Å; E18-Y34 HydrophobicContact CG-CD1 3.61Å; E18-Y34 HydrophobicContact CG-CD2 4.28Å; E18-Y34 HydrophobicContact CG-CE1 3.51Å; E18-Y34 HydrophobicContact CG-CE2 4.18Å; E18-Y34 HydrophobicContact CG-CG 4.01Å
19	G	91.5	Very high	84.3	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-65.4	-35.7	175.9	0	0	0	0	0	113.5	L15 A16 C23 G31 Y34 F35	L15-G19 PolarHBondContact O-N 3.41Å; A16-G19 PolarHBondContact O-N 3.41Å; G19-C23 PolarHBondContact O-N 3.39Å; G19-C23 PolarHBondContact O-SG 2.86Å; G19-G31 VanDerWaalsContact O-CA 3.23Å; G19-G31 WeakPolarHBondContact O-CA 3.36Å; G19-Y34 VanDerWaalsContact CA-CB 3.46Å; G19-F35 VanDerWaalsContact C-CZ 3.46Å
20	E	86.9	Confident	86.4	Confident	4 Å²	4	49.8 Å²	49.8	2%	0.019	25%	0.25	C	C	.	.	H	α-helix	trans	-70.9	-36.4	174.6	-159.9	-144.3	129.8	0	0	112.2	A16 M17 E18 C23 R24 F35 L719	A16-E20 WeakPolarHBondContact O-CB 3.27Å; A16-E20 PolarHBondContact O-N 2.93Å; M17-E20 PolarHBondContact O-N 3.43Å; E18-E20 VanDerWaalsContact C-N 3.35Å; E18-E20 PolarHBondContact O-N 3.18Å; E20-C23 WeakPolarHBondContact O-CB 3.49Å; E20-C23 PolarHBondContact O-N 3Å; E20-R24 PolarHBondContact O-N 3.39Å; E20-R24 IonicContact OE1-CZ 3.92Å; E20-R24 IonicContact OE1-NE 3.39Å; E20-R24 PolarHBondContact OE1-NE 3.44Å; E20-R24 IonicContact OE1-NH1 3.7Å; E20-R24 IonicContact OE1-NH2 3.25Å; E20-R24 PolarHBondContact OE1-NH2 3.28Å; E20-R24 VanDerWaalsContact OE1-NH2 3.08Å; E20-R24 IonicContact OE2-NH2 3.46Å; E20-F35 HydrophobicContact CB-CE1 4.39Å; E20-F35 HydrophobicContact CB-CZ 4.05Å; E20-L719 WeakPolarHBondContact OE2-CD2 3.48Å; E20-L719 WeakPolarHBondContact OE2-CG 3.23Å
21	R	89.5	Confident	87.9	Confident	95 Å²	95	46.7 Å²	46.7	36%	0.358	23%	0.23	S	C	.	.	H	α-helix	trans	-61.9	-47	173.5	-158.4	-166.4	70.7	-110.9	-19.6	110.8	M17 E18 C23 R24 E25	M17-R21 PolarHBondContact O-N 3.32Å; E18-R21 PolarHBondContact O-N 3.43Å; E18-R21 IonicContact OE1-CZ 2.77Å; E18-R21 VanDerWaalsContact OE1-CZ 3.31Å; E18-R21 IonicContact OE1-NH1 3.84Å; E18-R21 PolarHBondContact OE1-NH1 2.66Å; E18-R21 IonicContact OE1-NH2 3.1Å; E18-R21 PolarHBondContact OE1-NH2 2.72Å; E18-R21 IonicContact OE2-CZ 2.64Å; E18-R21 IonicContact OE2-NH1 3.1Å; E18-R21 PolarHBondContact OE2-NH1 2.76Å; E18-R21 IonicContact OE2-NH2 3.68Å; R21-C23 VanDerWaalsContact C-N 3.3Å; R21-C23 PolarHBondContact O-N 3.1Å; R21-R24 PolarHBondContact O-N 2.77Å; R21-R24 VanDerWaalsContact O-N 3.13Å; R21-E25 WeakPolarHBondContact CD-OE1 3.31Å; R21-E25 WeakPolarHBondContact CG-OE1 3.4Å; R21-E25 IonicContact CZ-OE1 3.39Å; R21-E25 IonicContact NE-OE1 2.83Å; R21-E25 PolarHBondContact NE-OE1 2.78Å; R21-E25 IonicContact NH2-OE1 2.64Å; R21-E25 WeakPolarHBondContact O-CG 3.07Å; R21-E25 PolarHBondContact O-N 2.89Å
22	F	90.3	Very high	88.5	Confident	24 Å²	24	43.9 Å²	43.9	11%	0.105	21%	0.211	C	C	.	.	H	α-helix	trans	-61.7	-34.3	174.5	-77	-58.3	0	0	0	113.5	E18 E25 G26 D27 K30 Y34	E18-F22 HydrophobicContact CG-CD2 4.26Å; E18-F22 HydrophobicContact CG-CE2 3.93Å; E18-F22 VanDerWaalsContact O-CD2 3.26Å; E18-F22 WeakPolarHBondContact O-CD2 2.97Å; E18-F22 PolarHBondContact O-N 3.36Å; E18-F22 VanDerWaalsContact O-N 3.11Å; E18-F22 WeakPolarHBondContact OE1-CE2 3.2Å; F22-E25 WeakPolarHBondContact CD1-OE2 3.48Å; F22-E25 WeakPolarHBondContact CE1-OE2 3.29Å; F22-E25 PolarHBondContact O-N 3.17Å; F22-G26 PolarHBondContact O-N 3.05Å; F22-D27 HydrophobicContact CD1-CB 4.5Å; F22-D27 CarbonylContact O-C 3.39Å; F22-D27 WeakPolarHBondContact O-CA 3.47Å; F22-D27 PolarHBondContact O-N 3.29Å; F22-K30 HydrophobicContact CB-CB 3.9Å; F22-K30 HydrophobicContact CD1-CB 3.95Å; F22-K30 HydrophobicContact CD1-CD 3.64Å; F22-K30 HydrophobicContact CD1-CG 4.47Å; F22-K30 HydrophobicContact CD2-CB 3.94Å; F22-K30 HydrophobicContact CD2-CD 4.48Å; F22-K30 HydrophobicContact CE1-CD 3.5Å; F22-K30 VanDerWaalsContact CE1-CD 3.5Å; F22-K30 HydrophobicContact CE2-CB 4.49Å; F22-K30 HydrophobicContact CE2-CD 4.35Å; F22-K30 HydrophobicContact CG-CB 3.64Å; F22-K30 HydrophobicContact CG-CD 4.16Å; F22-K30 HydrophobicContact CZ-CD 3.88Å; F22-Y34 AromaticContact CD2-CD2 3.63Å; F22-Y34 HydrophobicContact CD2-CD2 3.63Å; F22-Y34 AromaticContact CD2-CE2 3.73Å; F22-Y34 HydrophobicContact CD2-CE2 3.73Å; F22-Y34 AromaticContact CE2-CD2 3.75Å; F22-Y34 HydrophobicContact CE2-CD2 3.75Å; F22-Y34 AromaticContact CE2-CE2 3.32Å; F22-Y34 HydrophobicContact CE2-CE2 3.32Å; F22-Y34 HydrophobicContact CZ-CE2 4.33Å
23	C	86.2	Confident	89	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64.4	-45.9	171.3	-70.4	0	0	0	0	112.1	G19 E20 R21 E25 G26 W28	G19-C23 PolarHBondContact O-N 3.39Å; G19-C23 PolarHBondContact O-SG 2.86Å; E20-C23 WeakPolarHBondContact O-CB 3.49Å; E20-C23 PolarHBondContact O-N 3Å; R21-C23 VanDerWaalsContact C-N 3.3Å; R21-C23 PolarHBondContact O-N 3.1Å; C23-E25 VanDerWaalsContact C-N 3.27Å; C23-E25 PolarHBondContact O-N 3.4Å; C23-G26 WeakPolarHBondContact O-CA 3.41Å; C23-G26 PolarHBondContact O-N 3.26Å; C23-W28 HydrophobicContact CB-CE3 3.9Å; C23-W28 HydrophobicContact CB-CZ3 3.67Å
24	R	82.6	Confident	89.5	Confident	85 Å²	85	46.4 Å²	46.4	32%	0.321	23%	0.225	S	C	.	.	H	α-helix	trans	-62.3	-34.4	176.2	-74.9	-174	-79.8	-176.3	-12.1	112.1	E20 R21 G26 E722 Q731	E20-R24 PolarHBondContact O-N 3.39Å; E20-R24 IonicContact OE1-CZ 3.92Å; E20-R24 IonicContact OE1-NE 3.39Å; E20-R24 PolarHBondContact OE1-NE 3.44Å; E20-R24 IonicContact OE1-NH1 3.7Å; E20-R24 IonicContact OE1-NH2 3.25Å; E20-R24 PolarHBondContact OE1-NH2 3.28Å; E20-R24 VanDerWaalsContact OE1-NH2 3.08Å; E20-R24 IonicContact OE2-NH2 3.46Å; R21-R24 PolarHBondContact O-N 2.77Å; R21-R24 VanDerWaalsContact O-N 3.13Å; R24-G26 PolarHBondContact O-N 3.12Å; R24-E722 IonicContact NH1-OE1 3.78Å; R24-E722 PolarHBondContact NH1-OE1 3.09Å; R24-Q731 PolarHBondContact O-NE2 3.47Å
25	E	86.4	Confident	89.9	Confident	98 Å²	98	42.9 Å²	42.9	46%	0.458	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-9	170.8	-69.3	166.6	-161.1	0	0	114.1	R21 F22 C23 Y734	R21-E25 WeakPolarHBondContact CD-OE1 3.31Å; R21-E25 WeakPolarHBondContact CG-OE1 3.4Å; R21-E25 IonicContact CZ-OE1 3.39Å; R21-E25 IonicContact NE-OE1 2.83Å; R21-E25 PolarHBondContact NE-OE1 2.78Å; R21-E25 IonicContact NH2-OE1 2.64Å; R21-E25 WeakPolarHBondContact O-CG 3.07Å; R21-E25 PolarHBondContact O-N 2.89Å; F22-E25 WeakPolarHBondContact CD1-OE2 3.48Å; F22-E25 WeakPolarHBondContact CE1-OE2 3.29Å; F22-E25 PolarHBondContact O-N 3.17Å; C23-E25 VanDerWaalsContact C-N 3.27Å; C23-E25 PolarHBondContact O-N 3.4Å; E25-Y734 PolarHBondContact O-OH 3.26Å
26	G	81.3	Confident	90	Very high	16 Å²	16	44.2 Å²	44.2	17%	0.165	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.2	-1.8	-178.2	0	0	0	0	0	115.8	F22 C23 R24 W28	F22-G26 PolarHBondContact O-N 3.05Å; C23-G26 WeakPolarHBondContact O-CA 3.41Å; C23-G26 PolarHBondContact O-N 3.26Å; R24-G26 PolarHBondContact O-N 3.12Å; G26-W28 VanDerWaalsContact C-N 3.3Å; G26-W28 VanDerWaalsContact O-CD1 3.23Å; G26-W28 PolarHBondContact O-N 2.81Å; G26-W28 VanDerWaalsContact O-N 3.09Å; G26-W28 PolarHBondContact O-NE1 2.86Å
27	D	89.1	Confident	90.3	Very high	46 Å²	46	48.1 Å²	48.1	25%	0.246	23%	0.229	C	C	.	.			trans	-86.6	72.6	174	-162.3	-29.7	0	0	0	111.2	F22 N29 K30 G31	F22-D27 HydrophobicContact CD1-CB 4.5Å; F22-D27 CarbonylContact O-C 3.39Å; F22-D27 WeakPolarHBondContact O-CA 3.47Å; F22-D27 PolarHBondContact O-N 3.29Å; D27-N29 PolarHBondContact O-N 3.29Å; D27-N29 VanDerWaalsContact O-N 3.14Å; D27-N29 PolarHBondContact OD1-N 3.45Å; D27-K30 HydrophobicContact CB-CB 4.24Å; D27-K30 HydrophobicContact CB-CG 4.47Å; D27-K30 PolarHBondContact O-N 2.81Å; D27-K30 PolarHBondContact OD1-N 3.41Å; D27-K30 WeakPolarHBondContact OD2-CD 3.08Å; D27-K30 WeakPolarHBondContact OD2-CE 3.43Å; D27-K30 WeakPolarHBondContact OD2-CG 3.38Å; D27-K30 IonicContact OD2-NZ 3.59Å; D27-K30 PolarHBondContact OD2-NZ 3.09Å; D27-G31 PolarHBondContact O-N 3.43Å
28	W	88.4	Confident	90.4	Very high	20 Å²	20	44.9 Å²	44.9	8%	0.076	21%	0.213	C	C	.	.	H	α-helix	trans	-52.9	-33	176.2	-51.4	108.9	0	0	0	112.8	C23 G26 G31 I32 A59 Y62 Q63 Y734	C23-W28 HydrophobicContact CB-CE3 3.9Å; C23-W28 HydrophobicContact CB-CZ3 3.67Å; G26-W28 VanDerWaalsContact C-N 3.3Å; G26-W28 VanDerWaalsContact O-CD1 3.23Å; G26-W28 PolarHBondContact O-N 2.81Å; G26-W28 VanDerWaalsContact O-N 3.09Å; G26-W28 PolarHBondContact O-NE1 2.86Å; W28-G31 PolarHBondContact O-N 3.41Å; W28-I32 WeakPolarHBondContact O-CB 3.46Å; W28-I32 WeakPolarHBondContact O-CD1 3.47Å; W28-I32 VanDerWaalsContact O-CG1 3.26Å; W28-I32 WeakPolarHBondContact O-CG1 3.28Å; W28-I32 PolarHBondContact O-N 2.73Å; W28-A59 HydrophobicContact CE3-CB 4.25Å; W28-Y62 HydrophobicContact CD2-CD2 4.39Å; W28-Y62 HydrophobicContact CD2-CG 4.39Å; W28-Y62 AromaticContact CE3-CD2 3.86Å; W28-Y62 HydrophobicContact CE3-CD2 3.86Å; W28-Y62 HydrophobicContact CE3-CG 4.32Å; W28-Y62 HydrophobicContact CH2-CD1 4.25Å; W28-Y62 AromaticContact CH2-CD2 3.34Å; W28-Y62 HydrophobicContact CH2-CD2 3.34Å; W28-Y62 AromaticContact CH2-CE2 3.73Å; W28-Y62 HydrophobicContact CH2-CE2 3.73Å; W28-Y62 AromaticContact CH2-CG 3.68Å; W28-Y62 HydrophobicContact CH2-CG 3.68Å; W28-Y62 HydrophobicContact CZ2-CD1 4.18Å; W28-Y62 AromaticContact CZ2-CD2 3.91Å; W28-Y62 HydrophobicContact CZ2-CD2 3.91Å; W28-Y62 AromaticContact CZ2-CG 3.74Å; W28-Y62 HydrophobicContact CZ2-CG 3.74Å; W28-Y62 AromaticContact CZ3-CD2 3.31Å; W28-Y62 HydrophobicContact CZ3-CD2 3.31Å; W28-Y62 AromaticContact CZ3-CE2 3.84Å; W28-Y62 HydrophobicContact CZ3-CE2 3.84Å; W28-Y62 AromaticContact CZ3-CG 3.98Å; W28-Y62 HydrophobicContact CZ3-CG 3.98Å; W28-Q63 HydrophobicContact CB-CG 3.93Å; W28-Y734 HydrophobicContact CZ2-CD2 4.1Å; W28-Y734 AromaticContact NE1-CD2 3.86Å
29	N	92.7	Very high	90.4	Very high	116 Å²	116	44.2 Å²	44.2	62%	0.62	21%	0.211	S	C	*	.	H	α-helix	trans	-70.1	-46.1	-179.6	-75.7	-58.6	0	0	0	112.1	D27 S33 Q63	D27-N29 PolarHBondContact O-N 3.29Å; D27-N29 VanDerWaalsContact O-N 3.14Å; D27-N29 PolarHBondContact OD1-N 3.45Å; N29-S33 WeakPolarHBondContact O-CB 3.21Å; N29-S33 PolarHBondContact O-N 3.21Å; N29-S33 VanDerWaalsContact O-N 3.07Å; N29-Q63 VanDerWaalsContact CG-NE2 3.29Å; N29-Q63 PolarHBondContact OD1-NE2 3.5Å
30	K	93.1	Very high	90.3	Very high	100 Å²	100	48.5 Å²	48.5	44%	0.435	25%	0.246	S	C	.	.	H	α-helix	trans	-62.8	-45.3	170.6	-73	-172.5	-167.8	105.5	0	110.5	F22 D27 I32 S33 Y34	F22-K30 HydrophobicContact CB-CB 3.9Å; F22-K30 HydrophobicContact CD1-CB 3.95Å; F22-K30 HydrophobicContact CD1-CD 3.64Å; F22-K30 HydrophobicContact CD1-CG 4.47Å; F22-K30 HydrophobicContact CD2-CB 3.94Å; F22-K30 HydrophobicContact CD2-CD 4.48Å; F22-K30 HydrophobicContact CE1-CD 3.5Å; F22-K30 VanDerWaalsContact CE1-CD 3.5Å; F22-K30 HydrophobicContact CE2-CB 4.49Å; F22-K30 HydrophobicContact CE2-CD 4.35Å; F22-K30 HydrophobicContact CG-CB 3.64Å; F22-K30 HydrophobicContact CG-CD 4.16Å; F22-K30 HydrophobicContact CZ-CD 3.88Å; D27-K30 HydrophobicContact CB-CB 4.24Å; D27-K30 HydrophobicContact CB-CG 4.47Å; D27-K30 PolarHBondContact O-N 2.81Å; D27-K30 PolarHBondContact OD1-N 3.41Å; D27-K30 WeakPolarHBondContact OD2-CD 3.08Å; D27-K30 WeakPolarHBondContact OD2-CE 3.43Å; D27-K30 WeakPolarHBondContact OD2-CG 3.38Å; D27-K30 IonicContact OD2-NZ 3.59Å; D27-K30 PolarHBondContact OD2-NZ 3.09Å; K30-I32 PolarHBondContact O-N 3.03Å; K30-S33 WeakPolarHBondContact O-CA 3.47Å; K30-S33 WeakPolarHBondContact O-CB 3.45Å; K30-S33 PolarHBondContact O-N 3.18Å; K30-Y34 WeakPolarHBondContact O-CD2 3.27Å; K30-Y34 PolarHBondContact O-N 2.82Å
31	G	93	Very high	90.4	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-52.3	-54.2	178.8	0	0	0	0	0	113	G19 D27 W28 S33 Y34 F35	G19-G31 VanDerWaalsContact O-CA 3.23Å; G19-G31 WeakPolarHBondContact O-CA 3.36Å; D27-G31 PolarHBondContact O-N 3.43Å; W28-G31 PolarHBondContact O-N 3.41Å; G31-S33 VanDerWaalsContact C-N 3.34Å; G31-S33 PolarHBondContact O-N 3.38Å; G31-Y34 PolarHBondContact O-N 3.13Å; G31-Y34 VanDerWaalsContact O-N 3.13Å; G31-F35 WeakPolarHBondContact O-CD2 3.41Å; G31-F35 PolarHBondContact O-N 2.7Å
32	I	94.1	Very high	90.2	Very high	11 Å²	11	49.9 Å²	49.9	6%	0.056	27%	0.268	C	S	.	.	H	α-helix	trans	-58.5	-43	174.8	-70.4	161.2	0	0	0	111.5	W28 K30 Y34 F35 L36 L56 A59 Y60 Q63	W28-I32 WeakPolarHBondContact O-CB 3.46Å; W28-I32 WeakPolarHBondContact O-CD1 3.47Å; W28-I32 VanDerWaalsContact O-CG1 3.26Å; W28-I32 WeakPolarHBondContact O-CG1 3.28Å; W28-I32 PolarHBondContact O-N 2.73Å; K30-I32 PolarHBondContact O-N 3.03Å; I32-Y34 VanDerWaalsContact C-N 3.27Å; I32-Y34 PolarHBondContact O-N 3.04Å; I32-F35 PolarHBondContact O-N 3.34Å; I32-L36 HydrophobicContact CG2-CD1 3.77Å; I32-L36 HydrophobicContact CG2-CG 4.17Å; I32-L36 WeakPolarHBondContact O-CB 3.15Å; I32-L36 VanDerWaalsContact O-CG 3.28Å; I32-L36 WeakPolarHBondContact O-CG 3.18Å; I32-L36 PolarHBondContact O-N 2.77Å; I32-L56 HydrophobicContact CB-CD2 4.4Å; I32-L56 HydrophobicContact CG1-CD2 4.31Å; I32-L56 HydrophobicContact CG2-CD2 4.06Å; I32-A59 HydrophobicContact CD1-CB 3.9Å; I32-A59 HydrophobicContact CG1-CB 3.55Å; I32-Y60 HydrophobicContact CD1-CD1 3.78Å; I32-Y60 HydrophobicContact CD1-CE1 3.72Å; I32-Y60 HydrophobicContact CD1-CG 4.35Å; I32-Y60 HydrophobicContact CG1-CE1 4.38Å; I32-Y60 HydrophobicContact CG2-CE1 4Å; I32-Y60 HydrophobicContact CG2-CE2 4.33Å; I32-Y60 WeakPolarHBondContact CG2-OH 3.44Å; I32-Q63 VanDerWaalsContact CD1-CD 3.47Å; I32-Q63 HydrophobicContact CD1-CG 4.19Å
33	S	95.3	Very high	89.9	Confident	54 Å²	54	50.3 Å²	50.3	38%	0.378	27%	0.272	S	S	.	.	H	α-helix	trans	-59.4	-36.9	176.7	-173.8	0	0	0	0	112.7	N29 K30 G31 K37	N29-S33 WeakPolarHBondContact O-CB 3.21Å; N29-S33 PolarHBondContact O-N 3.21Å; N29-S33 VanDerWaalsContact O-N 3.07Å; K30-S33 WeakPolarHBondContact O-CA 3.47Å; K30-S33 WeakPolarHBondContact O-CB 3.45Å; K30-S33 PolarHBondContact O-N 3.18Å; G31-S33 VanDerWaalsContact C-N 3.34Å; G31-S33 PolarHBondContact O-N 3.38Å; S33-K37 WeakPolarHBondContact O-CD 3.33Å; S33-K37 WeakPolarHBondContact O-CE 3.41Å; S33-K37 WeakPolarHBondContact O-CG 3.34Å; S33-K37 PolarHBondContact O-N 2.79Å; S33-K37 WeakPolarHBondContact OG-CE 3.15Å; S33-K37 PolarHBondContact OG-NZ 3.39Å
34	Y	94.6	Very high	89.9	Confident	64 Å²	64	58.1 Å²	58.1	25%	0.251	31%	0.314	S	S	.	.	H	α-helix	trans	-74.9	-43.4	177.4	-86.7	-80.9	0	0	0	112.7	L15 E18 G19 F22 K30 G31 I32 L36 K37 A38	L15-Y34 HydrophobicContact CD2-CD1 3.62Å; L15-Y34 HydrophobicContact CD2-CE1 3.88Å; E18-Y34 HydrophobicContact CB-CD1 3.97Å; E18-Y34 HydrophobicContact CB-CE1 4.3Å; E18-Y34 HydrophobicContact CB-CG 4.39Å; E18-Y34 HydrophobicContact CG-CD1 3.61Å; E18-Y34 HydrophobicContact CG-CD2 4.28Å; E18-Y34 HydrophobicContact CG-CE1 3.51Å; E18-Y34 HydrophobicContact CG-CE2 4.18Å; E18-Y34 HydrophobicContact CG-CG 4.01Å; G19-Y34 VanDerWaalsContact CA-CB 3.46Å; F22-Y34 AromaticContact CD2-CD2 3.63Å; F22-Y34 HydrophobicContact CD2-CD2 3.63Å; F22-Y34 AromaticContact CD2-CE2 3.73Å; F22-Y34 HydrophobicContact CD2-CE2 3.73Å; F22-Y34 AromaticContact CE2-CD2 3.75Å; F22-Y34 HydrophobicContact CE2-CD2 3.75Å; F22-Y34 AromaticContact CE2-CE2 3.32Å; F22-Y34 HydrophobicContact CE2-CE2 3.32Å; F22-Y34 HydrophobicContact CZ-CE2 4.33Å; K30-Y34 WeakPolarHBondContact O-CD2 3.27Å; K30-Y34 PolarHBondContact O-N 2.82Å; G31-Y34 PolarHBondContact O-N 3.13Å; G31-Y34 VanDerWaalsContact O-N 3.13Å; I32-Y34 VanDerWaalsContact C-N 3.27Å; I32-Y34 PolarHBondContact O-N 3.04Å; Y34-L36 PolarHBondContact O-N 3.31Å; Y34-K37 HydrophobicContact CD1-CD 4.48Å; Y34-K37 WeakPolarHBondContact O-CB 3.5Å; Y34-K37 PolarHBondContact O-N 3.26Å; Y34-A38 PolarHBondContact O-N 3.34Å
35	F	93.9	Very high	90.1	Very high	1 Å²	1	57.5 Å²	57.5	0%	0.004	32%	0.317	C	S	.	.	H	α-helix	trans	-62.8	-38.2	173.5	-63.5	-53.6	0	0	0	113.1	A16 G19 E20 G31 I32 K37 A38 L39 V52 Q55 L56	A16-F35 HydrophobicContact CB-CD1 4.39Å; A16-F35 HydrophobicContact CB-CE1 4.43Å; A16-F35 WeakPolarHBondContact O-CE1 3.4Å; G19-F35 VanDerWaalsContact C-CZ 3.46Å; E20-F35 HydrophobicContact CB-CE1 4.39Å; E20-F35 HydrophobicContact CB-CZ 4.05Å; G31-F35 WeakPolarHBondContact O-CD2 3.41Å; G31-F35 PolarHBondContact O-N 2.7Å; I32-F35 PolarHBondContact O-N 3.34Å; F35-K37 VanDerWaalsContact C-N 3.32Å; F35-K37 PolarHBondContact O-N 2.85Å; F35-A38 WeakPolarHBondContact O-CB 3.27Å; F35-A38 PolarHBondContact O-N 3.39Å; F35-L39 PolarHBondContact O-N 3.33Å; F35-V52 HydrophobicContact CB-CG1 4.21Å; F35-V52 HydrophobicContact CD1-CG1 4.47Å; F35-Q55 HydrophobicContact CD1-CB 4.44Å; F35-Q55 HydrophobicContact CD2-CB 4.37Å; F35-Q55 HydrophobicContact CE1-CB 3.72Å; F35-Q55 HydrophobicContact CE1-CG 4.22Å; F35-Q55 HydrophobicContact CE2-CB 3.64Å; F35-Q55 HydrophobicContact CZ-CB 3.29Å; F35-Q55 HydrophobicContact CZ-CG 3.98Å; F35-L56 HydrophobicContact CB-CD1 3.77Å; F35-L56 HydrophobicContact CB-CD2 3.68Å; F35-L56 HydrophobicContact CB-CG 3.48Å; F35-L56 VanDerWaalsContact CB-CG 3.48Å; F35-L56 HydrophobicContact CD2-CD2 4.27Å; F35-L56 HydrophobicContact CD2-CG 4.17Å; F35-L56 HydrophobicContact CG-CD2 4.42Å; F35-L56 HydrophobicContact CG-CG 4.09Å
36	L	94.3	Very high	90.2	Very high	67 Å²	67	55.6 Å²	55.6	35%	0.351	31%	0.31	S	S	.	.	H	α-helix	trans	-66.5	-32.5	175.1	-70.2	175.8	0	0	0	112.3	I32 Y34 L39 A40 L56	I32-L36 HydrophobicContact CG2-CD1 3.77Å; I32-L36 HydrophobicContact CG2-CG 4.17Å; I32-L36 WeakPolarHBondContact O-CB 3.15Å; I32-L36 VanDerWaalsContact O-CG 3.28Å; I32-L36 WeakPolarHBondContact O-CG 3.18Å; I32-L36 PolarHBondContact O-N 2.77Å; Y34-L36 PolarHBondContact O-N 3.31Å; L36-L39 HydrophobicContact CD2-CD1 4.49Å; L36-A40 WeakPolarHBondContact O-CB 3.5Å; L36-A40 PolarHBondContact O-N 2.96Å; L36-L56 HydrophobicContact CD2-CD1 4.32Å; L36-L56 HydrophobicContact CD2-CD2 4.24Å; L36-L56 HydrophobicContact CG-CD2 4.21Å
37	K	93.1	Very high	90.5	Very high	88 Å²	88	56.9 Å²	56.9	38%	0.383	32%	0.316	S	S	.	.	H	α-helix	trans	-68.4	-38.9	170.3	-67.1	160.8	-162.2	160.6	0	111.5	L15 S33 Y34 F35 A40 I41	L15-K37 HydrophobicContact CD1-CB 3.86Å; S33-K37 WeakPolarHBondContact O-CD 3.33Å; S33-K37 WeakPolarHBondContact O-CE 3.41Å; S33-K37 WeakPolarHBondContact O-CG 3.34Å; S33-K37 PolarHBondContact O-N 2.79Å; S33-K37 WeakPolarHBondContact OG-CE 3.15Å; S33-K37 PolarHBondContact OG-NZ 3.39Å; Y34-K37 HydrophobicContact CD1-CD 4.48Å; Y34-K37 WeakPolarHBondContact O-CB 3.5Å; Y34-K37 PolarHBondContact O-N 3.26Å; F35-K37 VanDerWaalsContact C-N 3.32Å; F35-K37 PolarHBondContact O-N 2.85Å; K37-A40 PolarHBondContact O-N 3.41Å; K37-I41 PolarHBondContact O-N 3.02Å
38	A	91.2	Very high	90.4	Very high	0 Å²	0	55 Å²	55	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-58.9	-48.5	174.6	0	0	0	0	0	111.1	C12 L15 Y34 F35 A40 I41 G42 V52	C12-A38 WeakPolarHBondContact O-CB 3.39Å; C12-A38 PolarHBondContact SG-O 3.19Å; C12-A38 VanDerWaalsContact SG-O 3.38Å; L15-A38 HydrophobicContact CB-CB 3.9Å; Y34-A38 PolarHBondContact O-N 3.34Å; F35-A38 WeakPolarHBondContact O-CB 3.27Å; F35-A38 PolarHBondContact O-N 3.39Å; A38-A40 VanDerWaalsContact C-N 3.32Å; A38-A40 PolarHBondContact O-N 3.29Å; A38-I41 PolarHBondContact O-N 3.48Å; A38-G42 PolarHBondContact O-N 3.33Å; A38-V52 HydrophobicContact CB-CG2 4.34Å
39	L	90.8	Very high	90.4	Very high	40 Å²	40	55.1 Å²	55.1	21%	0.209	31%	0.309	C	S	.	.	H	α-helix	trans	-60.2	-37.7	173	-68.8	-176	0	0	0	113.3	F35 L36 I41 G42 L49 V52 Y53 L56 Y72	F35-L39 PolarHBondContact O-N 3.33Å; L36-L39 HydrophobicContact CD2-CD1 4.49Å; L39-I41 VanDerWaalsContact C-N 3.32Å; L39-I41 PolarHBondContact O-N 2.97Å; L39-G42 PolarHBondContact O-N 3.28Å; L39-L49 HydrophobicContact CD2-CD1 3.46Å; L39-L49 VanDerWaalsContact CD2-CD1 3.46Å; L39-V52 HydrophobicContact CD1-CG1 4.41Å; L39-V52 HydrophobicContact CD2-CB 4.37Å; L39-V52 HydrophobicContact CD2-CG1 3.57Å; L39-V52 HydrophobicContact CG-CG1 3.67Å; L39-Y53 HydrophobicContact CD1-CD1 4.18Å; L39-Y53 HydrophobicContact CD1-CE1 3.86Å; L39-Y53 HydrophobicContact CD2-CD1 3.98Å; L39-Y53 HydrophobicContact CD2-CE1 3.54Å; L39-Y53 HydrophobicContact CG-CE1 4.38Å; L39-L56 HydrophobicContact CD1-CD1 3.45Å; L39-L56 VanDerWaalsContact CD1-CD1 3.45Å; L39-L56 HydrophobicContact CG-CD1 4.14Å; L39-Y72 HydrophobicContact CD1-CE1 3.88Å
40	A	90.5	Very high	90.2	Very high	89 Å²	89	50.2 Å²	50.2	74%	0.736	28%	0.283	S	S	*	.	H	α-helix	trans	-71.7	-23.2	179.1	0	0	0	0	0	113.9	L36 K37 A38	L36-A40 WeakPolarHBondContact O-CB 3.5Å; L36-A40 PolarHBondContact O-N 2.96Å; K37-A40 PolarHBondContact O-N 3.41Å; A38-A40 VanDerWaalsContact C-N 3.32Å; A38-A40 PolarHBondContact O-N 3.29Å
41	I	89.3	Confident	89.9	Confident	95 Å²	95	46.2 Å²	46.2	49%	0.487	27%	0.267	S	S	.	.	H	α-helix	trans	-78.7	-37.8	167.7	-69.7	-171.3	0	0	0	110.7	P11 C12 L15 K37 A38 L39	P11-I41 HydrophobicContact CB-CD1 4.02Å; P11-I41 HydrophobicContact CB-CG2 4.47Å; P11-I41 HydrophobicContact CG-CD1 4.48Å; P11-I41 HydrophobicContact CG-CG2 4.01Å; C12-I41 HydrophobicContact CB-CG2 4.47Å; L15-I41 HydrophobicContact CD1-CD1 3.55Å; L15-I41 HydrophobicContact CD1-CG1 4.34Å; K37-I41 PolarHBondContact O-N 3.02Å; A38-I41 PolarHBondContact O-N 3.48Å; L39-I41 VanDerWaalsContact C-N 3.32Å; L39-I41 PolarHBondContact O-N 2.97Å
42	G	83.3	Confident	89.7	Confident	33 Å²	33	46.2 Å²	46.2	34%	0.34	27%	0.267	S	S	.	.			trans	79.7	169	-176.5	0	0	0	0	0	113.3	C12 A38 L39	C12-G42 WeakPolarHBondContact CB-O 3.49Å; A38-G42 PolarHBondContact O-N 3.33Å; L39-G42 PolarHBondContact O-N 3.28Å
43	T	85.6	Confident	89.7	Confident	33 Å²	33	46.8 Å²	46.8	20%	0.202	27%	0.269	C	S	.	.			trans	-158.5	143.5	174.6	-178.9	0	0	0	0	109.8	D45 C48 L49	T43-D45 VanDerWaalsContact C-N 3.32Å; T43-D45 WeakPolarHBondContact CG2-O 3.49Å; T43-D45 PolarHBondContact OG1-N 2.94Å; T43-D45 VanDerWaalsContact OG1-N 3.14Å; T43-C48 HydrophobicContact CG2-CB 4.27Å; T43-L49 HydrophobicContact CG2-CB 3.93Å
44	D	85.9	Confident	89.5	Confident	165 Å²	165	44.4 Å²	44.4	88%	0.882	25%	0.252	S	S	*	.	S	Bend	trans	-80.2	-17.4	170.7	-63.2	-50	0	0	0	112	L46	D44-L46 PolarHBondContact O-N 3.2Å
45	D	87.4	Confident	89.3	Confident	72 Å²	72	41.5 Å²	41.5	39%	0.385	24%	0.241	S	C	.	.			trans	-76.8	105.8	173.6	175.5	34.1	0	0	0	111.1	T43 S47 C48 L49	T43-D45 VanDerWaalsContact C-N 3.32Å; T43-D45 WeakPolarHBondContact CG2-O 3.49Å; T43-D45 PolarHBondContact OG1-N 2.94Å; T43-D45 VanDerWaalsContact OG1-N 3.14Å; D45-S47 PolarHBondContact O-N 3.33Å; D45-S47 WeakPolarHBondContact OD1-CB 3.37Å; D45-S47 PolarHBondContact OD1-N 3.26Å; D45-S47 PolarHBondContact OD1-OG 2.82Å; D45-C48 HydrophobicContact CB-CB 4.18Å; D45-C48 PolarHBondContact O-N 3.41Å; D45-C48 WeakPolarHBondContact OD2-CB 3.45Å; D45-C48 PolarHBondContact OD2-N 3.4Å; D45-L49 PolarHBondContact O-N 3.42Å
46	L	88.5	Confident	89.3	Confident	58 Å²	58	41.4 Å²	41.4	30%	0.304	24%	0.241	S	C	.	.	H	α-helix	trans	-60.5	-26.2	175.5	-54.9	-174.3	0	0	0	112.4	D44 S50 L79 M83	D44-L46 PolarHBondContact O-N 3.2Å; L46-S50 VanDerWaalsContact O-CB 3.31Å; L46-S50 WeakPolarHBondContact O-CB 3.46Å; L46-S50 PolarHBondContact O-N 3.36Å; L46-L79 HydrophobicContact CB-CD1 3.98Å; L46-L79 HydrophobicContact CD1-CD1 4.34Å; L46-L79 HydrophobicContact CD2-CD1 4.07Å; L46-L79 HydrophobicContact CG-CD1 4.34Å; L46-L79 WeakPolarHBondContact O-CD2 3.33Å; L46-M83 HydrophobicContact CB-CG 3.99Å; L46-M83 HydrophobicContact CB-SD 3.51Å; L46-M83 VanDerWaalsContact CB-SD 3.51Å; L46-M83 HydrophobicContact CD1-CG 4.14Å
47	S	86	Confident	89.1	Confident	43 Å²	43	38.2 Å²	38.2	30%	0.301	22%	0.224	S	C	.	.	H	α-helix	trans	-69.6	-54.2	179.3	-27	0	0	0	0	110.6	D45 L49 S50 V51	D45-S47 PolarHBondContact O-N 3.33Å; D45-S47 WeakPolarHBondContact OD1-CB 3.37Å; D45-S47 PolarHBondContact OD1-N 3.26Å; D45-S47 PolarHBondContact OD1-OG 2.82Å; S47-L49 VanDerWaalsContact C-N 3.3Å; S47-L49 PolarHBondContact O-N 3.45Å; S47-S50 WeakPolarHBondContact O-CB 3.17Å; S47-S50 PolarHBondContact O-N 3.17Å; S47-V51 WeakPolarHBondContact O-CG2 3.33Å; S47-V51 PolarHBondContact O-N 2.66Å
48	C	86.8	Confident	88.9	Confident	5 Å²	5	34.6 Å²	34.6	3%	0.034	21%	0.208	C	C	.	.	H	α-helix	trans	-55.9	-42.5	171.3	-179.1	0	0	0	0	111.8	T43 D45 S50 V51 V52	T43-C48 HydrophobicContact CG2-CB 4.27Å; D45-C48 HydrophobicContact CB-CB 4.18Å; D45-C48 PolarHBondContact O-N 3.41Å; D45-C48 WeakPolarHBondContact OD2-CB 3.45Å; D45-C48 PolarHBondContact OD2-N 3.4Å; C48-S50 PolarHBondContact O-N 2.97Å; C48-V51 PolarHBondContact O-N 3.49Å; C48-V52 WeakPolarHBondContact O-CG2 3.5Å; C48-V52 PolarHBondContact O-N 3.1Å
49	L	90.2	Very high	88.9	Confident	24 Å²	24	34.6 Å²	34.6	13%	0.126	21%	0.208	C	C	.	.	H	α-helix	trans	-64.3	-39.8	177.8	-175.7	61.8	0	0	0	112.1	L39 T43 D45 S47 V52 Y53 L79	L39-L49 HydrophobicContact CD2-CD1 3.46Å; L39-L49 VanDerWaalsContact CD2-CD1 3.46Å; T43-L49 HydrophobicContact CG2-CB 3.93Å; D45-L49 PolarHBondContact O-N 3.42Å; S47-L49 VanDerWaalsContact C-N 3.3Å; S47-L49 PolarHBondContact O-N 3.45Å; L49-V52 PolarHBondContact O-N 2.79Å; L49-Y53 HydrophobicContact CD1-CD2 4.47Å; L49-Y53 HydrophobicContact CD1-CE1 4.06Å; L49-Y53 HydrophobicContact CD1-CE2 3.92Å; L49-Y53 HydrophobicContact CD2-CE2 4.07Å; L49-Y53 HydrophobicContact CG-CD2 4.17Å; L49-Y53 HydrophobicContact CG-CE2 3.69Å; L49-Y53 PolarHBondContact O-N 3.28Å; L49-L79 HydrophobicContact CB-CD2 3.91Å; L49-L79 HydrophobicContact CD2-CD2 3.89Å; L49-L79 HydrophobicContact CG-CD2 3.73Å
50	S	87.7	Confident	88.9	Confident	12 Å²	12	33.1 Å²	33.1	8%	0.084	20%	0.2	C	C	.	.	H	α-helix	trans	-61.7	-45.1	174.7	-172.3	0	0	0	0	111.8	L46 S47 C48 V52 Y53 C54 N76	L46-S50 VanDerWaalsContact O-CB 3.31Å; L46-S50 WeakPolarHBondContact O-CB 3.46Å; L46-S50 PolarHBondContact O-N 3.36Å; S47-S50 WeakPolarHBondContact O-CB 3.17Å; S47-S50 PolarHBondContact O-N 3.17Å; C48-S50 PolarHBondContact O-N 2.97Å; S50-V52 PolarHBondContact O-N 3.21Å; S50-Y53 PolarHBondContact O-N 2.89Å; S50-C54 WeakPolarHBondContact O-CB 3.34Å; S50-C54 PolarHBondContact O-N 2.73Å; S50-N76 PolarHBondContact OG-OD1 3.11Å; S50-N76 VanDerWaalsContact OG-OD1 3.11Å
51	V	85.9	Confident	88.8	Confident	16 Å²	16	30.8 Å²	30.8	10%	0.097	17%	0.173	C	C	.	.	H	α-helix	trans	-59.7	-46.9	174	175.2	0	0	0	0	111	S47 C48 Y53 C54 Q55 F716 L719 L720	S47-V51 WeakPolarHBondContact O-CG2 3.33Å; S47-V51 PolarHBondContact O-N 2.66Å; C48-V51 PolarHBondContact O-N 3.49Å; V51-Y53 PolarHBondContact O-N 2.87Å; V51-C54 WeakPolarHBondContact O-CB 3.46Å; V51-C54 PolarHBondContact O-N 2.72Å; V51-C54 VanDerWaalsContact O-N 3.16Å; V51-Q55 HydrophobicContact CG1-CG 4.2Å; V51-Q55 WeakPolarHBondContact O-CG 3.3Å; V51-Q55 PolarHBondContact O-N 2.79Å; V51-F716 HydrophobicContact CG2-CD2 4.39Å; V51-F716 HydrophobicContact CG2-CE2 3.82Å; V51-L719 HydrophobicContact CG1-CD2 4.18Å; V51-L720 HydrophobicContact CG2-CD1 4.24Å; V51-L720 HydrophobicContact CG2-CD2 4.21Å; V51-L720 HydrophobicContact CG2-CG 4.15Å
52	V	90.3	Very high	88.6	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.2	-43.1	179.2	173.1	0	0	0	0	111.9	A16 F35 A38 L39 C48 L49 S50 Q55 L56	A16-V52 HydrophobicContact CB-CG2 3.61Å; F35-V52 HydrophobicContact CB-CG1 4.21Å; F35-V52 HydrophobicContact CD1-CG1 4.47Å; A38-V52 HydrophobicContact CB-CG2 4.34Å; L39-V52 HydrophobicContact CD1-CG1 4.41Å; L39-V52 HydrophobicContact CD2-CB 4.37Å; L39-V52 HydrophobicContact CD2-CG1 3.57Å; L39-V52 HydrophobicContact CG-CG1 3.67Å; C48-V52 WeakPolarHBondContact O-CG2 3.5Å; C48-V52 PolarHBondContact O-N 3.1Å; L49-V52 PolarHBondContact O-N 2.79Å; S50-V52 PolarHBondContact O-N 3.21Å; V52-Q55 PolarHBondContact O-N 2.79Å; V52-L56 HydrophobicContact CG1-CD1 4Å; V52-L56 WeakPolarHBondContact O-CB 3.25Å; V52-L56 PolarHBondContact O-N 3.32Å
53	Y	93.7	Very high	88.9	Confident	24 Å²	24	30 Å²	30	9%	0.094	16%	0.157	C	C	.	.	H	α-helix	trans	-65	-40.2	173.5	-68.7	-28.9	0	0	0	112.5	L39 L49 S50 V51 L56 G57 Y72 W75 L79	L39-Y53 HydrophobicContact CD1-CD1 4.18Å; L39-Y53 HydrophobicContact CD1-CE1 3.86Å; L39-Y53 HydrophobicContact CD2-CD1 3.98Å; L39-Y53 HydrophobicContact CD2-CE1 3.54Å; L39-Y53 HydrophobicContact CG-CE1 4.38Å; L49-Y53 HydrophobicContact CD1-CD2 4.47Å; L49-Y53 HydrophobicContact CD1-CE1 4.06Å; L49-Y53 HydrophobicContact CD1-CE2 3.92Å; L49-Y53 HydrophobicContact CD2-CE2 4.07Å; L49-Y53 HydrophobicContact CG-CD2 4.17Å; L49-Y53 HydrophobicContact CG-CE2 3.69Å; L49-Y53 PolarHBondContact O-N 3.28Å; S50-Y53 PolarHBondContact O-N 2.89Å; V51-Y53 PolarHBondContact O-N 2.87Å; Y53-L56 PolarHBondContact O-N 3.22Å; Y53-G57 PolarHBondContact O-N 3Å; Y53-Y72 AromaticContact CD1-CD1 3.84Å; Y53-Y72 HydrophobicContact CD1-CD1 3.84Å; Y53-Y72 HydrophobicContact CD1-CE1 4.24Å; Y53-Y72 HydrophobicContact CE1-CD1 4.48Å; Y53-W75 HydrophobicContact CD1-CB 4.49Å; Y53-W75 HydrophobicContact CD1-CE3 4.23Å; Y53-W75 HydrophobicContact CD2-CB 3.74Å; Y53-W75 AromaticContact CE1-CE3 3.9Å; Y53-W75 HydrophobicContact CE1-CE3 3.9Å; Y53-W75 HydrophobicContact CE2-CB 3.85Å; Y53-W75 HydrophobicContact CG-CB 4.08Å; Y53-L79 HydrophobicContact CD2-CD2 4.05Å; Y53-L79 HydrophobicContact CE2-CD2 4.12Å
54	C	91.6	Very high	89.1	Confident	4 Å²	4	33.6 Å²	33.6	3%	0.027	17%	0.172	C	C	.	.	H	α-helix	trans	-58.1	-50.7	175.3	-165.3	0	0	0	0	111.5	S50 V51 L56 G57 N58 N76	S50-C54 WeakPolarHBondContact O-CB 3.34Å; S50-C54 PolarHBondContact O-N 2.73Å; V51-C54 WeakPolarHBondContact O-CB 3.46Å; V51-C54 PolarHBondContact O-N 2.72Å; V51-C54 VanDerWaalsContact O-N 3.16Å; C54-L56 PolarHBondContact O-N 3.22Å; C54-G57 PolarHBondContact O-N 3.34Å; C54-N58 WeakPolarHBondContact O-CB 3.31Å; C54-N58 PolarHBondContact O-N 2.9Å; C54-N58 PolarHBondContact O-ND2 3Å; C54-N76 VanDerWaalsContact CB-ND2 3.3Å; C54-N76 WeakPolarHBondContact CB-ND2 3.46Å; C54-N76 PolarHBondContact SG-ND2 3.1Å
55	Q	90.2	Very high	89.4	Confident	2 Å²	2	27.8 Å²	27.8	1%	0.009	14%	0.141	C	C	.	.	H	α-helix	trans	-74.1	-26.4	-176.6	-54.4	-58	10.4	0	0	113.8	F35 V51 V52 N58 A59 S723 R727	F35-Q55 HydrophobicContact CD1-CB 4.44Å; F35-Q55 HydrophobicContact CD2-CB 4.37Å; F35-Q55 HydrophobicContact CE1-CB 3.72Å; F35-Q55 HydrophobicContact CE1-CG 4.22Å; F35-Q55 HydrophobicContact CE2-CB 3.64Å; F35-Q55 HydrophobicContact CZ-CB 3.29Å; F35-Q55 HydrophobicContact CZ-CG 3.98Å; V51-Q55 HydrophobicContact CG1-CG 4.2Å; V51-Q55 WeakPolarHBondContact O-CG 3.3Å; V51-Q55 PolarHBondContact O-N 2.79Å; V52-Q55 PolarHBondContact O-N 2.79Å; Q55-N58 PolarHBondContact OE1-ND2 3.39Å; Q55-A59 WeakPolarHBondContact O-CB 3.37Å; Q55-A59 PolarHBondContact O-N 3.17Å; Q55-S723 VanDerWaalsContact NE2-CB 3.29Å; Q55-S723 PolarHBondContact NE2-OG 2.99Å; Q55-R727 VanDerWaalsContact OE1-CZ 3.23Å
56	L	92.7	Very high	89.6	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-67.7	-45.5	168.5	-86.2	163.9	0	0	0	111.8	I32 F35 L36 L39 V52 Y53 C54 A59 Y60 Y72	I32-L56 HydrophobicContact CB-CD2 4.4Å; I32-L56 HydrophobicContact CG1-CD2 4.31Å; I32-L56 HydrophobicContact CG2-CD2 4.06Å; F35-L56 HydrophobicContact CB-CD1 3.77Å; F35-L56 HydrophobicContact CB-CD2 3.68Å; F35-L56 HydrophobicContact CB-CG 3.48Å; F35-L56 VanDerWaalsContact CB-CG 3.48Å; F35-L56 HydrophobicContact CD2-CD2 4.27Å; F35-L56 HydrophobicContact CD2-CG 4.17Å; F35-L56 HydrophobicContact CG-CD2 4.42Å; F35-L56 HydrophobicContact CG-CG 4.09Å; L36-L56 HydrophobicContact CD2-CD1 4.32Å; L36-L56 HydrophobicContact CD2-CD2 4.24Å; L36-L56 HydrophobicContact CG-CD2 4.21Å; L39-L56 HydrophobicContact CD1-CD1 3.45Å; L39-L56 VanDerWaalsContact CD1-CD1 3.45Å; L39-L56 HydrophobicContact CG-CD1 4.14Å; V52-L56 HydrophobicContact CG1-CD1 4Å; V52-L56 WeakPolarHBondContact O-CB 3.25Å; V52-L56 PolarHBondContact O-N 3.32Å; Y53-L56 PolarHBondContact O-N 3.22Å; C54-L56 PolarHBondContact O-N 3.22Å; L56-A59 PolarHBondContact O-N 3.45Å; L56-Y60 HydrophobicContact CD2-CE2 3.94Å; L56-Y60 WeakPolarHBondContact O-CD2 3.49Å; L56-Y60 PolarHBondContact O-N 3.01Å; L56-Y72 HydrophobicContact CB-CD1 3.69Å; L56-Y72 HydrophobicContact CB-CD2 4.21Å; L56-Y72 HydrophobicContact CB-CE1 4.15Å; L56-Y72 HydrophobicContact CB-CG 3.74Å; L56-Y72 HydrophobicContact CD1-CD1 3.88Å; L56-Y72 HydrophobicContact CD1-CE1 3.59Å; L56-Y72 HydrophobicContact CG-CD1 4.39Å; L56-Y72 HydrophobicContact CG-CE1 4.4Å
57	G	91.2	Very high	89.8	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-56.2	-52.4	174.3	0	0	0	0	0	111.2	Y53 C54 A59 Y60 F61 A69 H73	Y53-G57 PolarHBondContact O-N 3Å; C54-G57 PolarHBondContact O-N 3.34Å; G57-A59 PolarHBondContact O-N 3.06Å; G57-Y60 PolarHBondContact O-N 2.86Å; G57-F61 WeakPolarHBondContact O-CB 3.47Å; G57-F61 PolarHBondContact O-N 3.04Å; G57-A69 WeakPolarHBondContact O-CB 3.41Å; G57-H73 VanDerWaalsContact C-CE1 3.42Å; G57-H73 WeakPolarHBondContact CA-NE2 3.41Å; G57-H73 PolarHBondContact O-NE2 2.97Å
58	N	88.6	Confident	90.1	Very high	11 Å²	11	29 Å²	29	6%	0.059	14%	0.141	C	C	.	.	H	α-helix	trans	-54.1	-51.3	175.2	-69.6	-21.2	0	0	0	111.4	C54 Q55 Y60 F61 Y62 H73	C54-N58 WeakPolarHBondContact O-CB 3.31Å; C54-N58 PolarHBondContact O-N 2.9Å; C54-N58 PolarHBondContact O-ND2 3Å; Q55-N58 PolarHBondContact OE1-ND2 3.39Å; N58-Y60 PolarHBondContact O-N 2.58Å; N58-F61 WeakPolarHBondContact O-CB 3.42Å; N58-F61 PolarHBondContact O-N 3.39Å; N58-F61 VanDerWaalsContact O-N 3.15Å; N58-Y62 HydrophobicContact CB-CE2 4.16Å; N58-Y62 WeakPolarHBondContact O-CD2 3.34Å; N58-Y62 WeakPolarHBondContact O-CE2 3.42Å; N58-Y62 PolarHBondContact O-N 2.85Å; N58-H73 PolarHBondContact N-CE1 3.46Å; N58-H73 PolarHBondContact N-NE2 2.9Å; N58-H73 PolarHBondContact OD1-CE1 3.14Å; N58-H73 VanDerWaalsContact OD1-CE1 3.32Å
59	A	90	Very high	90.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63.9	-37.9	-177.2	0	0	0	0	0	113.1	W28 I32 Q55 L56 G57 Y62 Q63	W28-A59 HydrophobicContact CE3-CB 4.25Å; I32-A59 HydrophobicContact CD1-CB 3.9Å; I32-A59 HydrophobicContact CG1-CB 3.55Å; Q55-A59 WeakPolarHBondContact O-CB 3.37Å; Q55-A59 PolarHBondContact O-N 3.17Å; L56-A59 PolarHBondContact O-N 3.45Å; G57-A59 PolarHBondContact O-N 3.06Å; A59-Y62 PolarHBondContact O-N 2.64Å; A59-Q63 WeakPolarHBondContact O-CG 3.48Å; A59-Q63 PolarHBondContact O-N 2.96Å; A59-Q63 VanDerWaalsContact O-N 3.15Å
60	Y	92.1	Very high	90.5	Very high	9 Å²	9	28 Å²	28	4%	0.035	14%	0.135	C	C	.	.	H	α-helix	trans	-68.8	-34.9	172.9	-76.4	-56	0	0	0	112.7	I32 L56 G57 N58 Q63 Q64 D65 R68 Y72	I32-Y60 HydrophobicContact CD1-CD1 3.78Å; I32-Y60 HydrophobicContact CD1-CE1 3.72Å; I32-Y60 HydrophobicContact CD1-CG 4.35Å; I32-Y60 HydrophobicContact CG1-CE1 4.38Å; I32-Y60 HydrophobicContact CG2-CE1 4Å; I32-Y60 HydrophobicContact CG2-CE2 4.33Å; I32-Y60 WeakPolarHBondContact CG2-OH 3.44Å; L56-Y60 HydrophobicContact CD2-CE2 3.94Å; L56-Y60 WeakPolarHBondContact O-CD2 3.49Å; L56-Y60 PolarHBondContact O-N 3.01Å; G57-Y60 PolarHBondContact O-N 2.86Å; N58-Y60 PolarHBondContact O-N 2.58Å; Y60-Q63 CarbonylContact O-C 3.58Å; Y60-Q63 PolarHBondContact O-N 2.73Å; Y60-Q63 VanDerWaalsContact O-N 3.16Å; Y60-Q64 PolarHBondContact O-N 2.92Å; Y60-D65 HydrophobicContact CD1-CB 4.26Å; Y60-D65 PolarHBondContact O-N 3.18Å; Y60-R68 HydrophobicContact CD1-CB 4.07Å; Y60-R68 HydrophobicContact CD2-CB 3.8Å; Y60-R68 HydrophobicContact CE1-CB 4.4Å; Y60-R68 HydrophobicContact CE2-CB 4.13Å; Y60-R68 HydrophobicContact CG-CB 3.76Å; Y60-R68 PolarHBondContact OH-NH1 2.97Å; Y60-Y72 AromaticContact CD2-CD2 3.68Å; Y60-Y72 HydrophobicContact CD2-CD2 3.68Å; Y60-Y72 AromaticContact CD2-CE2 3.89Å; Y60-Y72 HydrophobicContact CD2-CE2 3.89Å; Y60-Y72 AromaticContact CE2-CD2 3.72Å; Y60-Y72 HydrophobicContact CE2-CD2 3.72Å; Y60-Y72 AromaticContact CE2-CE2 3.42Å; Y60-Y72 HydrophobicContact CE2-CE2 3.42Å; Y60-Y72 VanDerWaalsContact CE2-CE2 3.42Å
61	F	88.6	Confident	90.8	Very high	40 Å²	40	30 Å²	30	18%	0.175	14%	0.143	C	C	.	.	H	α-helix	trans	-60.9	-44.1	173.8	-177.4	-83.8	0	0	0	111.7	G57 N58 Q63 Q64 Y66 A69 N98 M102	G57-F61 WeakPolarHBondContact O-CB 3.47Å; G57-F61 PolarHBondContact O-N 3.04Å; N58-F61 WeakPolarHBondContact O-CB 3.42Å; N58-F61 PolarHBondContact O-N 3.39Å; N58-F61 VanDerWaalsContact O-N 3.15Å; F61-Q63 VanDerWaalsContact C-N 3.31Å; F61-Q63 PolarHBondContact O-N 3.41Å; F61-Q64 WeakPolarHBondContact O-CA 3.41Å; F61-Q64 PolarHBondContact O-N 3.13Å; F61-Y66 AromaticContact CD2-CD1 3.85Å; F61-Y66 HydrophobicContact CD2-CD1 3.85Å; F61-Y66 AromaticContact CD2-CE1 3.95Å; F61-Y66 HydrophobicContact CD2-CE1 3.95Å; F61-Y66 HydrophobicContact CE2-CD1 4.16Å; F61-Y66 HydrophobicContact CE2-CE1 4.02Å; F61-Y66 HydrophobicContact CG-CD1 4.47Å; F61-Y66 HydrophobicContact CG-CE1 4.33Å; F61-Y66 HydrophobicContact CZ-CE1 4.47Å; F61-A69 HydrophobicContact CB-CB 4.04Å; F61-N98 HydrophobicContact CE2-CB 4.42Å; F61-M102 HydrophobicContact CE2-CB 4.21Å; F61-M102 HydrophobicContact CE2-CG 3.55Å; F61-M102 HydrophobicContact CZ-CG 3.59Å
62	Y	85.2	Confident	91.1	Very high	55 Å²	55	30 Å²	30	22%	0.216	14%	0.142	C	C	.	.	H	α-helix	trans	-67.3	-28.3	173.8	-62.4	-68.9	0	0	0	113.4	W28 N58 A59 Q64 R727 Q731	W28-Y62 HydrophobicContact CD2-CD2 4.39Å; W28-Y62 HydrophobicContact CD2-CG 4.39Å; W28-Y62 AromaticContact CE3-CD2 3.86Å; W28-Y62 HydrophobicContact CE3-CD2 3.86Å; W28-Y62 HydrophobicContact CE3-CG 4.32Å; W28-Y62 HydrophobicContact CH2-CD1 4.25Å; W28-Y62 AromaticContact CH2-CD2 3.34Å; W28-Y62 HydrophobicContact CH2-CD2 3.34Å; W28-Y62 AromaticContact CH2-CE2 3.73Å; W28-Y62 HydrophobicContact CH2-CE2 3.73Å; W28-Y62 AromaticContact CH2-CG 3.68Å; W28-Y62 HydrophobicContact CH2-CG 3.68Å; W28-Y62 HydrophobicContact CZ2-CD1 4.18Å; W28-Y62 AromaticContact CZ2-CD2 3.91Å; W28-Y62 HydrophobicContact CZ2-CD2 3.91Å; W28-Y62 AromaticContact CZ2-CG 3.74Å; W28-Y62 HydrophobicContact CZ2-CG 3.74Å; W28-Y62 AromaticContact CZ3-CD2 3.31Å; W28-Y62 HydrophobicContact CZ3-CD2 3.31Å; W28-Y62 AromaticContact CZ3-CE2 3.84Å; W28-Y62 HydrophobicContact CZ3-CE2 3.84Å; W28-Y62 AromaticContact CZ3-CG 3.98Å; W28-Y62 HydrophobicContact CZ3-CG 3.98Å; N58-Y62 HydrophobicContact CB-CE2 4.16Å; N58-Y62 WeakPolarHBondContact O-CD2 3.34Å; N58-Y62 WeakPolarHBondContact O-CE2 3.42Å; N58-Y62 PolarHBondContact O-N 2.85Å; A59-Y62 PolarHBondContact O-N 2.64Å; Y62-Q64 PolarHBondContact O-N 3.03Å; Y62-R727 VanDerWaalsContact OH-C 3.25Å; Y62-R727 WeakPolarHBondContact OH-CB 3.42Å; Y62-R727 PolarHBondContact OH-O 2.77Å; Y62-Q731 WeakPolarHBondContact CE1-O 3.42Å
63	Q	89.3	Confident	91.2	Very high	58 Å²	58	30.1 Å²	30.1	27%	0.271	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	0.5	169.5	-68.5	-162.6	-16.1	0	0	113.9	W28 N29 I32 A59 Y60 F61 D65	W28-Q63 HydrophobicContact CB-CG 3.93Å; N29-Q63 VanDerWaalsContact CG-NE2 3.29Å; N29-Q63 PolarHBondContact OD1-NE2 3.5Å; I32-Q63 VanDerWaalsContact CD1-CD 3.47Å; I32-Q63 HydrophobicContact CD1-CG 4.19Å; A59-Q63 WeakPolarHBondContact O-CG 3.48Å; A59-Q63 PolarHBondContact O-N 2.96Å; A59-Q63 VanDerWaalsContact O-N 3.15Å; Y60-Q63 CarbonylContact O-C 3.58Å; Y60-Q63 PolarHBondContact O-N 2.73Å; Y60-Q63 VanDerWaalsContact O-N 3.16Å; F61-Q63 VanDerWaalsContact C-N 3.31Å; F61-Q63 PolarHBondContact O-N 3.41Å; Q63-D65 PolarHBondContact O-N 2.95Å
64	Q	89.3	Confident	91.2	Very high	108 Å²	108	30 Å²	30	51%	0.505	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	15.3	-174.6	-48	-178.6	15.8	0	0	113.8	Y60 F61 Y62 Y66	Y60-Q64 PolarHBondContact O-N 2.92Å; F61-Q64 WeakPolarHBondContact O-CA 3.41Å; F61-Q64 PolarHBondContact O-N 3.13Å; Y62-Q64 PolarHBondContact O-N 3.03Å; Q64-Y66 HydrophobicContact CB-CE2 4.04Å; Q64-Y66 WeakPolarHBondContact O-CD2 3.45Å; Q64-Y66 PolarHBondContact O-N 3.36Å
65	D	91.8	Very high	91.2	Very high	43 Å²	43	34.5 Å²	34.5	23%	0.23	16%	0.158	C	C	.	.			trans	-85.8	72.2	170	-163.6	-44.9	0	0	0	109.4	Y60 Q63 A67 R68 A69	Y60-D65 HydrophobicContact CD1-CB 4.26Å; Y60-D65 PolarHBondContact O-N 3.18Å; Q63-D65 PolarHBondContact O-N 2.95Å; D65-A67 PolarHBondContact O-N 3.37Å; D65-A67 PolarHBondContact OD1-N 3.25Å; D65-R68 VanDerWaalsContact CG-NE 3.34Å; D65-R68 PolarHBondContact O-N 3.35Å; D65-R68 WeakPolarHBondContact OD1-CB 3.35Å; D65-R68 PolarHBondContact OD1-N 2.81Å; D65-R68 IonicContact OD1-NE 3.62Å; D65-R68 IonicContact OD2-CZ 3.56Å; D65-R68 IonicContact OD2-NE 3.83Å; D65-R68 PolarHBondContact OD2-NE 3.43Å; D65-R68 IonicContact OD2-NH2 2.83Å; D65-R68 PolarHBondContact OD2-NH2 2.83Å; D65-A69 WeakPolarHBondContact O-CB 3.42Å; D65-A69 PolarHBondContact O-N 3.13Å
66	Y	91.3	Very high	91.4	Very high	44 Å²	44	34.6 Å²	34.6	17%	0.173	16%	0.159	C	C	.	.	H	α-helix	trans	-63.3	-21.3	-178.9	-51.8	-60.3	0	0	0	112.6	F61 Q64 L70 T99 M102 M103	F61-Y66 AromaticContact CD2-CD1 3.85Å; F61-Y66 HydrophobicContact CD2-CD1 3.85Å; F61-Y66 AromaticContact CD2-CE1 3.95Å; F61-Y66 HydrophobicContact CD2-CE1 3.95Å; F61-Y66 HydrophobicContact CE2-CD1 4.16Å; F61-Y66 HydrophobicContact CE2-CE1 4.02Å; F61-Y66 HydrophobicContact CG-CD1 4.47Å; F61-Y66 HydrophobicContact CG-CE1 4.33Å; F61-Y66 HydrophobicContact CZ-CE1 4.47Å; Q64-Y66 HydrophobicContact CB-CE2 4.04Å; Q64-Y66 WeakPolarHBondContact O-CD2 3.45Å; Q64-Y66 PolarHBondContact O-N 3.36Å; Y66-L70 VanDerWaalsContact O-CB 3.26Å; Y66-L70 WeakPolarHBondContact O-CB 3.46Å; Y66-L70 PolarHBondContact O-N 3.34Å; Y66-T99 WeakPolarHBondContact O-CG2 3.21Å; Y66-M102 HydrophobicContact CD1-CB 3.81Å; Y66-M102 HydrophobicContact CD1-CG 4.49Å; Y66-M102 HydrophobicContact CD2-CB 4.37Å; Y66-M102 HydrophobicContact CE1-CB 3.66Å; Y66-M102 HydrophobicContact CE1-CE 4.46Å; Y66-M102 HydrophobicContact CE1-CG 4Å; Y66-M102 HydrophobicContact CE2-CB 4.23Å; Y66-M102 HydrophobicContact CG-CB 4.17Å; Y66-M102 WeakPolarHBondContact OH-CE 3.46Å; Y66-M103 HydrophobicContact CG-CG 4.43Å
67	A	93.4	Very high	91.3	Very high	54 Å²	54	34.8 Å²	34.8	45%	0.446	16%	0.16	S	C	.	.	H	α-helix	trans	-69.1	-53.4	176.3	0	0	0	0	0	111.4	D65 L70 E71	D65-A67 PolarHBondContact O-N 3.37Å; D65-A67 PolarHBondContact OD1-N 3.25Å; A67-L70 WeakPolarHBondContact O-CB 3.39Å; A67-L70 PolarHBondContact O-N 3.4Å; A67-E71 PolarHBondContact O-N 3.1Å
68	R	92.5	Very high	91.3	Very high	99 Å²	99	37.4 Å²	37.4	37%	0.374	18%	0.181	S	C	.	.	H	α-helix	trans	-67.5	-37.8	175.1	-72.7	-174.9	-76.9	168.3	-0.5	111.5	Y60 D65 L70 E71 Y72	Y60-R68 HydrophobicContact CD1-CB 4.07Å; Y60-R68 HydrophobicContact CD2-CB 3.8Å; Y60-R68 HydrophobicContact CE1-CB 4.4Å; Y60-R68 HydrophobicContact CE2-CB 4.13Å; Y60-R68 HydrophobicContact CG-CB 3.76Å; Y60-R68 PolarHBondContact OH-NH1 2.97Å; D65-R68 VanDerWaalsContact CG-NE 3.34Å; D65-R68 PolarHBondContact O-N 3.35Å; D65-R68 WeakPolarHBondContact OD1-CB 3.35Å; D65-R68 PolarHBondContact OD1-N 2.81Å; D65-R68 IonicContact OD1-NE 3.62Å; D65-R68 IonicContact OD2-CZ 3.56Å; D65-R68 IonicContact OD2-NE 3.83Å; D65-R68 PolarHBondContact OD2-NE 3.43Å; D65-R68 IonicContact OD2-NH2 2.83Å; D65-R68 PolarHBondContact OD2-NH2 2.83Å; R68-L70 VanDerWaalsContact C-N 3.26Å; R68-L70 PolarHBondContact O-N 3.05Å; R68-E71 PolarHBondContact O-N 2.64Å; R68-E71 VanDerWaalsContact O-N 3.17Å; R68-Y72 VanDerWaalsContact O-CD2 3.25Å; R68-Y72 WeakPolarHBondContact O-CD2 3.46Å; R68-Y72 PolarHBondContact O-N 3.1Å
69	A	92.3	Very high	91.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-54.5	-44.9	174.2	0	0	0	0	0	111.9	G57 F61 D65 E71 Y72 H73 T99	G57-A69 WeakPolarHBondContact O-CB 3.41Å; F61-A69 HydrophobicContact CB-CB 4.04Å; D65-A69 WeakPolarHBondContact O-CB 3.42Å; D65-A69 PolarHBondContact O-N 3.13Å; A69-E71 VanDerWaalsContact C-N 3.32Å; A69-E71 PolarHBondContact O-N 3.1Å; A69-Y72 PolarHBondContact O-N 3.26Å; A69-H73 WeakPolarHBondContact O-CB 3.36Å; A69-H73 PolarHBondContact O-CD2 2.91Å; A69-H73 PolarHBondContact O-N 3.31Å; A69-T99 HydrophobicContact CB-CG2 3.99Å
70	L	93.2	Very high	91.4	Very high	8 Å²	8	37.5 Å²	37.5	4%	0.042	18%	0.182	C	C	.	.	H	α-helix	trans	-58.7	-42	179	-165.6	79.5	0	0	0	112	Y66 A67 R68 R74 L96 T99 L100 M103 I934	Y66-L70 VanDerWaalsContact O-CB 3.26Å; Y66-L70 WeakPolarHBondContact O-CB 3.46Å; Y66-L70 PolarHBondContact O-N 3.34Å; A67-L70 WeakPolarHBondContact O-CB 3.39Å; A67-L70 PolarHBondContact O-N 3.4Å; R68-L70 VanDerWaalsContact C-N 3.26Å; R68-L70 PolarHBondContact O-N 3.05Å; L70-R74 WeakPolarHBondContact O-CB 3.27Å; L70-R74 WeakPolarHBondContact O-CD 3.4Å; L70-R74 WeakPolarHBondContact O-CG 3.5Å; L70-R74 PolarHBondContact O-N 3.42Å; L70-R74 VanDerWaalsContact O-N 3.16Å; L70-L96 HydrophobicContact CD1-CD1 3.45Å; L70-L96 VanDerWaalsContact CD1-CD1 3.45Å; L70-L96 HydrophobicContact CG-CD1 4.21Å; L70-T99 HydrophobicContact CB-CG2 4Å; L70-T99 HydrophobicContact CD1-CG2 3.92Å; L70-L100 HydrophobicContact CD1-CD2 3.61Å; L70-L100 HydrophobicContact CD1-CG 3.73Å; L70-M103 HydrophobicContact CB-SD 4.4Å; L70-M103 HydrophobicContact CD1-SD 4.11Å; L70-M103 HydrophobicContact CD2-SD 4.05Å; L70-M103 HydrophobicContact CG-SD 4.43Å; L70-I934 HydrophobicContact CD2-CG2 3.88Å
71	E	93	Very high	91.3	Very high	55 Å²	55	40.3 Å²	40.3	26%	0.257	19%	0.192	S	C	.	.	H	α-helix	trans	-64.7	-51.5	179.5	-68.8	171.3	173.4	0	0	111.8	A67 R68 A69 H73 R74 W75	A67-E71 PolarHBondContact O-N 3.1Å; R68-E71 PolarHBondContact O-N 2.64Å; R68-E71 VanDerWaalsContact O-N 3.17Å; A69-E71 VanDerWaalsContact C-N 3.32Å; A69-E71 PolarHBondContact O-N 3.1Å; E71-H73 PolarHBondContact O-N 2.83Å; E71-R74 PolarHBondContact O-N 2.83Å; E71-R74 VanDerWaalsContact O-N 3.13Å; E71-W75 PolarHBondContact O-N 3.25Å
72	Y	93.2	Very high	91.4	Very high	16 Å²	16	44.4 Å²	44.4	6%	0.063	21%	0.207	C	C	.	.	H	α-helix	trans	-66.2	-38.3	-178.9	-74.9	-75.8	0	0	0	113	L39 Y53 L56 Y60 R68 A69 R74 W75 N76	L39-Y72 HydrophobicContact CD1-CE1 3.88Å; Y53-Y72 AromaticContact CD1-CD1 3.84Å; Y53-Y72 HydrophobicContact CD1-CD1 3.84Å; Y53-Y72 HydrophobicContact CD1-CE1 4.24Å; Y53-Y72 HydrophobicContact CE1-CD1 4.48Å; L56-Y72 HydrophobicContact CB-CD1 3.69Å; L56-Y72 HydrophobicContact CB-CD2 4.21Å; L56-Y72 HydrophobicContact CB-CE1 4.15Å; L56-Y72 HydrophobicContact CB-CG 3.74Å; L56-Y72 HydrophobicContact CD1-CD1 3.88Å; L56-Y72 HydrophobicContact CD1-CE1 3.59Å; L56-Y72 HydrophobicContact CG-CD1 4.39Å; L56-Y72 HydrophobicContact CG-CE1 4.4Å; Y60-Y72 AromaticContact CD2-CD2 3.68Å; Y60-Y72 HydrophobicContact CD2-CD2 3.68Å; Y60-Y72 AromaticContact CD2-CE2 3.89Å; Y60-Y72 HydrophobicContact CD2-CE2 3.89Å; Y60-Y72 AromaticContact CE2-CD2 3.72Å; Y60-Y72 HydrophobicContact CE2-CD2 3.72Å; Y60-Y72 AromaticContact CE2-CE2 3.42Å; Y60-Y72 HydrophobicContact CE2-CE2 3.42Å; Y60-Y72 VanDerWaalsContact CE2-CE2 3.42Å; R68-Y72 VanDerWaalsContact O-CD2 3.25Å; R68-Y72 WeakPolarHBondContact O-CD2 3.46Å; R68-Y72 PolarHBondContact O-N 3.1Å; A69-Y72 PolarHBondContact O-N 3.26Å; Y72-R74 VanDerWaalsContact C-N 3.28Å; Y72-R74 PolarHBondContact O-N 3.49Å; Y72-W75 AromaticContact CD1-CE3 3.7Å; Y72-W75 HydrophobicContact CD1-CE3 3.7Å; Y72-W75 AromaticContact CD1-CZ3 3.88Å; Y72-W75 HydrophobicContact CD1-CZ3 3.88Å; Y72-W75 AromaticContact CE1-CE3 3.75Å; Y72-W75 HydrophobicContact CE1-CE3 3.75Å; Y72-W75 AromaticContact CE1-CZ3 3.46Å; Y72-W75 HydrophobicContact CE1-CZ3 3.46Å; Y72-W75 VanDerWaalsContact CE1-CZ3 3.46Å; Y72-W75 HydrophobicContact CE2-CZ3 4.47Å; Y72-W75 HydrophobicContact CG-CE3 4.39Å; Y72-W75 AromaticContact CZ-CZ3 3.78Å; Y72-W75 PolarHBondContact O-N 3.38Å; Y72-N76 PolarHBondContact O-N 3.36Å
73	H	93.3	Very high	91.7	Very high	2 Å²	2	45 Å²	45	1%	0.009	21%	0.212	C	C	.	.	H	α-helix	trans	-64.4	-31.8	173	-71.3	-50.9	0	0	0	112.8	G57 N58 A69 E71 L77 L96 T99	G57-H73 VanDerWaalsContact C-CE1 3.42Å; G57-H73 WeakPolarHBondContact CA-NE2 3.41Å; G57-H73 PolarHBondContact O-NE2 2.97Å; N58-H73 PolarHBondContact N-CE1 3.46Å; N58-H73 PolarHBondContact N-NE2 2.9Å; N58-H73 PolarHBondContact OD1-CE1 3.14Å; N58-H73 VanDerWaalsContact OD1-CE1 3.32Å; A69-H73 WeakPolarHBondContact O-CB 3.36Å; A69-H73 PolarHBondContact O-CD2 2.91Å; A69-H73 PolarHBondContact O-N 3.31Å; E71-H73 PolarHBondContact O-N 2.83Å; H73-L77 WeakPolarHBondContact O-CB 3.43Å; H73-L77 PolarHBondContact O-N 3.07Å; H73-L96 HydrophobicContact CB-CB 4.43Å; H73-T99 PolarHBondContact CD2-OG1 3.46Å; H73-T99 VanDerWaalsContact CD2-OG1 3.31Å
74	R	92.4	Very high	91.7	Very high	21 Å²	21	45.3 Å²	45.3	8%	0.079	23%	0.231	C	C	.	.	H	α-helix	trans	-76.8	-32	176.7	-69.7	165.9	68.2	-129	-3.2	112.9	L70 E71 Y72 A78 L96 I931 I934	L70-R74 WeakPolarHBondContact O-CB 3.27Å; L70-R74 WeakPolarHBondContact O-CD 3.4Å; L70-R74 WeakPolarHBondContact O-CG 3.5Å; L70-R74 PolarHBondContact O-N 3.42Å; L70-R74 VanDerWaalsContact O-N 3.16Å; E71-R74 PolarHBondContact O-N 2.83Å; E71-R74 VanDerWaalsContact O-N 3.13Å; Y72-R74 VanDerWaalsContact C-N 3.28Å; Y72-R74 PolarHBondContact O-N 3.49Å; R74-A78 WeakPolarHBondContact O-CB 3.12Å; R74-A78 PolarHBondContact O-N 3.3Å; R74-L96 HydrophobicContact CG-CD1 3.58Å; R74-L96 HydrophobicContact CG-CD2 3.84Å; R74-L96 HydrophobicContact CG-CG 4.36Å; R74-I931 PolarHBondContact NH2-O 3.45Å; R74-I934 PolarHBondContact NH2-O 3.2Å
75	W	92.5	Very high	91.6	Very high	100 Å²	100	42.7 Å²	42.7	38%	0.379	22%	0.221	S	C	.	.	H	α-helix	trans	-69.4	-39.2	170.2	-65.2	-21.1	0	0	0	112.1	Y53 E71 Y72 L79 L947	Y53-W75 HydrophobicContact CD1-CB 4.49Å; Y53-W75 HydrophobicContact CD1-CE3 4.23Å; Y53-W75 HydrophobicContact CD2-CB 3.74Å; Y53-W75 AromaticContact CE1-CE3 3.9Å; Y53-W75 HydrophobicContact CE1-CE3 3.9Å; Y53-W75 HydrophobicContact CE2-CB 3.85Å; Y53-W75 HydrophobicContact CG-CB 4.08Å; E71-W75 PolarHBondContact O-N 3.25Å; Y72-W75 AromaticContact CD1-CE3 3.7Å; Y72-W75 HydrophobicContact CD1-CE3 3.7Å; Y72-W75 AromaticContact CD1-CZ3 3.88Å; Y72-W75 HydrophobicContact CD1-CZ3 3.88Å; Y72-W75 AromaticContact CE1-CE3 3.75Å; Y72-W75 HydrophobicContact CE1-CE3 3.75Å; Y72-W75 AromaticContact CE1-CZ3 3.46Å; Y72-W75 HydrophobicContact CE1-CZ3 3.46Å; Y72-W75 VanDerWaalsContact CE1-CZ3 3.46Å; Y72-W75 HydrophobicContact CE2-CZ3 4.47Å; Y72-W75 HydrophobicContact CG-CE3 4.39Å; Y72-W75 AromaticContact CZ-CZ3 3.78Å; Y72-W75 PolarHBondContact O-N 3.38Å; W75-L79 VanDerWaalsContact O-CB 3.25Å; W75-L79 WeakPolarHBondContact O-CB 3.26Å; W75-L79 PolarHBondContact O-N 3.32Å; W75-L79 VanDerWaalsContact O-N 3.08Å; W75-L947 HydrophobicContact CH2-CD2 4.18Å; W75-L947 HydrophobicContact CZ3-CD2 4.47Å
76	N	93.1	Very high	91.5	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.021	22%	0.22	C	C	.	.	H	α-helix	trans	-56.8	-55.1	167.8	176.2	0.1	0	0	0	110.8	S50 C54 Y72 A78 L79 A80 A92	S50-N76 PolarHBondContact OG-OD1 3.11Å; S50-N76 VanDerWaalsContact OG-OD1 3.11Å; C54-N76 VanDerWaalsContact CB-ND2 3.3Å; C54-N76 WeakPolarHBondContact CB-ND2 3.46Å; C54-N76 PolarHBondContact SG-ND2 3.1Å; Y72-N76 PolarHBondContact O-N 3.36Å; N76-A78 VanDerWaalsContact C-N 3.34Å; N76-A78 PolarHBondContact O-N 3.15Å; N76-L79 CarbonylContact O-C 3.58Å; N76-L79 WeakPolarHBondContact O-CA 3.44Å; N76-L79 WeakPolarHBondContact O-CB 3.29Å; N76-L79 PolarHBondContact O-N 3.37Å; N76-A80 PolarHBondContact O-N 3.44Å; N76-A92 HydrophobicContact CB-CB 4.35Å
77	L	92.1	Very high	91.4	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-55.8	-44.6	-179.3	177	60.9	0	0	0	113.3	H73 L79 R81 E89 A92 T93 L96 F927 I931	H73-L77 WeakPolarHBondContact O-CB 3.43Å; H73-L77 PolarHBondContact O-N 3.07Å; L77-L79 VanDerWaalsContact C-N 3.26Å; L77-L79 PolarHBondContact O-N 3.46Å; L77-R81 WeakPolarHBondContact O-CB 3.07Å; L77-R81 WeakPolarHBondContact O-CG 3.41Å; L77-R81 PolarHBondContact O-N 2.92Å; L77-R81 VanDerWaalsContact O-N 3.15Å; L77-E89 HydrophobicContact CD1-CG 3.69Å; L77-A92 HydrophobicContact CB-CB 3.9Å; L77-A92 HydrophobicContact CD1-CB 4.19Å; L77-T93 VanDerWaalsContact CD1-OG1 3.3Å; L77-T93 WeakPolarHBondContact CD1-OG1 3.36Å; L77-L96 HydrophobicContact CD2-CD2 3.67Å; L77-F927 HydrophobicContact CD2-CE1 4.11Å; L77-F927 HydrophobicContact CD2-CZ 3.77Å; L77-I931 HydrophobicContact CD2-CD1 3.61Å; L77-I931 HydrophobicContact CD2-CG1 4.32Å
78	A	91.2	Very high	91.1	Very high	55 Å²	55	41.5 Å²	41.5	46%	0.455	22%	0.217	S	C	.	.	H	α-helix	trans	-64.9	-30.7	176.5	0	0	0	0	0	112.7	R74 N76 R82	R74-A78 WeakPolarHBondContact O-CB 3.12Å; R74-A78 PolarHBondContact O-N 3.3Å; N76-A78 VanDerWaalsContact C-N 3.34Å; N76-A78 PolarHBondContact O-N 3.15Å; A78-R82 WeakPolarHBondContact O-CB 3.3Å; A78-R82 PolarHBondContact O-N 3.03Å
79	L	88.9	Confident	91	Very high	13 Å²	13	38.2 Å²	38.2	7%	0.068	21%	0.206	C	C	.	.	H	α-helix	trans	-79.3	-44.5	179.4	-172.6	52.7	0	0	0	112.2	L46 L49 Y53 W75 N76 L77 R81 R82 M83	L46-L79 HydrophobicContact CB-CD1 3.98Å; L46-L79 HydrophobicContact CD1-CD1 4.34Å; L46-L79 HydrophobicContact CD2-CD1 4.07Å; L46-L79 HydrophobicContact CG-CD1 4.34Å; L46-L79 WeakPolarHBondContact O-CD2 3.33Å; L49-L79 HydrophobicContact CB-CD2 3.91Å; L49-L79 HydrophobicContact CD2-CD2 3.89Å; L49-L79 HydrophobicContact CG-CD2 3.73Å; Y53-L79 HydrophobicContact CD2-CD2 4.05Å; Y53-L79 HydrophobicContact CE2-CD2 4.12Å; W75-L79 VanDerWaalsContact O-CB 3.25Å; W75-L79 WeakPolarHBondContact O-CB 3.26Å; W75-L79 PolarHBondContact O-N 3.32Å; W75-L79 VanDerWaalsContact O-N 3.08Å; N76-L79 CarbonylContact O-C 3.58Å; N76-L79 WeakPolarHBondContact O-CA 3.44Å; N76-L79 WeakPolarHBondContact O-CB 3.29Å; N76-L79 PolarHBondContact O-N 3.37Å; L77-L79 VanDerWaalsContact C-N 3.26Å; L77-L79 PolarHBondContact O-N 3.46Å; L79-R81 VanDerWaalsContact C-N 3.34Å; L79-R81 PolarHBondContact O-N 3Å; L79-R82 WeakPolarHBondContact O-CB 3.4Å; L79-R82 PolarHBondContact O-N 3.44Å; L79-R82 VanDerWaalsContact O-N 3.07Å; L79-M83 HydrophobicContact CG-CE 4.39Å; L79-M83 WeakPolarHBondContact O-CG 3.5Å; L79-M83 PolarHBondContact O-N 3.36Å
80	A	90.6	Very high	90.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-55.7	-47.8	172.7	0	0	0	0	0	111.5	N76 R82 M83 G84 D85 E89	N76-A80 PolarHBondContact O-N 3.44Å; A80-R82 VanDerWaalsContact C-N 3.33Å; A80-R82 PolarHBondContact O-N 3.17Å; A80-M83 PolarHBondContact O-N 3.39Å; A80-M83 VanDerWaalsContact O-N 3.1Å; A80-G84 PolarHBondContact O-N 3.29Å; A80-D85 PolarHBondContact O-N 3.22Å; A80-D85 VanDerWaalsContact O-N 3.08Å; A80-E89 HydrophobicContact CB-CB 4.31Å
81	R	90.8	Very high	90.7	Very high	68 Å²	68	40 Å²	40	26%	0.257	21%	0.214	S	C	.	.	H	α-helix	trans	-55.6	-42.6	172	-81.1	178.4	165.5	-160.6	-10.6	113.3	L77 L79 M83 G84 E89 H115 F927 L928	L77-R81 WeakPolarHBondContact O-CB 3.07Å; L77-R81 WeakPolarHBondContact O-CG 3.41Å; L77-R81 PolarHBondContact O-N 2.92Å; L77-R81 VanDerWaalsContact O-N 3.15Å; L79-R81 VanDerWaalsContact C-N 3.34Å; L79-R81 PolarHBondContact O-N 3Å; R81-M83 VanDerWaalsContact C-N 3.32Å; R81-M83 PolarHBondContact O-N 3.45Å; R81-G84 PolarHBondContact O-N 2.89Å; R81-E89 VanDerWaalsContact CG-CD 3.48Å; R81-E89 HydrophobicContact CG-CG 3.97Å; R81-E89 VanDerWaalsContact CG-OE2 3.24Å; R81-E89 WeakPolarHBondContact CG-OE2 3.44Å; R81-E89 IonicContact CZ-OE1 2.8Å; R81-E89 VanDerWaalsContact NE-CD 3.3Å; R81-E89 IonicContact NE-OE1 3.53Å; R81-E89 PolarHBondContact NE-OE1 2.92Å; R81-E89 IonicContact NE-OE2 3.8Å; R81-E89 IonicContact NH2-OE1 3.2Å; R81-E89 PolarHBondContact NH2-OE1 3.19Å; R81-H115 PolarHBondContact NH2-NE2 3.4Å; R81-F927 VanDerWaalsContact NH2-CE1 3.34Å; R81-L928 VanDerWaalsContact NH1-CD2 3.27Å
82	R	91.1	Very high	90.5	Very high	126 Å²	126	37.3 Å²	37.3	48%	0.475	20%	0.201	S	C	.	.	H	α-helix	trans	-68.5	-29.2	177.9	-177.1	176.7	176	-172.7	-2.6	112.9	A78 L79 A80	A78-R82 WeakPolarHBondContact O-CB 3.3Å; A78-R82 PolarHBondContact O-N 3.03Å; L79-R82 WeakPolarHBondContact O-CB 3.4Å; L79-R82 PolarHBondContact O-N 3.44Å; L79-R82 VanDerWaalsContact O-N 3.07Å; A80-R82 VanDerWaalsContact C-N 3.33Å; A80-R82 PolarHBondContact O-N 3.17Å
83	M	89.9	Confident	90.5	Very high	66 Å²	66	36.6 Å²	36.6	33%	0.325	20%	0.198	S	C	.	.	H	α-helix	trans	-81.5	-18.8	175	-65.5	-174.2	-60.7	0	0	113.1	L46 L79 A80 R81 D85	L46-M83 HydrophobicContact CB-CG 3.99Å; L46-M83 HydrophobicContact CB-SD 3.51Å; L46-M83 VanDerWaalsContact CB-SD 3.51Å; L46-M83 HydrophobicContact CD1-CG 4.14Å; L79-M83 HydrophobicContact CG-CE 4.39Å; L79-M83 WeakPolarHBondContact O-CG 3.5Å; L79-M83 PolarHBondContact O-N 3.36Å; A80-M83 PolarHBondContact O-N 3.39Å; A80-M83 VanDerWaalsContact O-N 3.1Å; R81-M83 VanDerWaalsContact C-N 3.32Å; R81-M83 PolarHBondContact O-N 3.45Å; M83-D85 VanDerWaalsContact C-N 3.26Å; M83-D85 HydrophobicContact CB-CB 4.3Å; M83-D85 HydrophobicContact CE-CB 4.41Å
84	G	89.3	Confident	90.3	Very high	66 Å²	66	36.5 Å²	36.5	68%	0.68	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.3	18.1	-168.5	0	0	0	0	0	113.1	A80 R81 G86	A80-G84 PolarHBondContact O-N 3.29Å; R81-G84 PolarHBondContact O-N 2.89Å; G84-G86 PolarHBondContact O-N 2.94Å
85	D	88.4	Confident	90.2	Very high	52 Å²	52	36 Å²	36	28%	0.278	20%	0.197	S	C	.	.			trans	-81.2	91.8	177.8	176.2	13	0	0	0	109.9	A80 M83 I87 G88 E89	A80-D85 PolarHBondContact O-N 3.22Å; A80-D85 VanDerWaalsContact O-N 3.08Å; M83-D85 VanDerWaalsContact C-N 3.26Å; M83-D85 HydrophobicContact CB-CB 4.3Å; M83-D85 HydrophobicContact CE-CB 4.41Å; D85-I87 VanDerWaalsContact C-N 3.27Å; D85-I87 PolarHBondContact O-N 2.99Å; D85-I87 PolarHBondContact OD1-N 2.88Å; D85-I87 VanDerWaalsContact OD1-N 3.09Å; D85-G88 PolarHBondContact O-N 3.4Å; D85-G88 PolarHBondContact OD1-N 3.42Å; D85-G88 VanDerWaalsContact OD2-CA 3.31Å; D85-G88 WeakPolarHBondContact OD2-CA 3.49Å; D85-G88 PolarHBondContact OD2-N 3.25Å; D85-E89 WeakPolarHBondContact O-CB 3.29Å; D85-E89 PolarHBondContact O-N 3.17Å
86	G	89.7	Confident	90.3	Very high	21 Å²	21	31.2 Å²	31.2	22%	0.216	18%	0.179	C	C	.	.	H	α-helix	trans	-64.9	-27.5	177.6	0	0	0	0	0	113.8	G84 A90 I119	G84-G86 PolarHBondContact O-N 2.94Å; G86-A90 PolarHBondContact O-N 3.32Å; G86-A90 VanDerWaalsContact O-N 3.07Å; G86-I119 VanDerWaalsContact O-CG2 3.27Å; G86-I119 WeakPolarHBondContact O-CG2 3.38Å
87	I	87.8	Confident	90.2	Very high	82 Å²	82	31 Å²	31	42%	0.421	18%	0.178	S	C	.	.	H	α-helix	trans	-73.2	-48.3	178.1	-63	176.7	0	0	0	108.8	D85 E89 A90 F91 L123	D85-I87 VanDerWaalsContact C-N 3.27Å; D85-I87 PolarHBondContact O-N 2.99Å; D85-I87 PolarHBondContact OD1-N 2.88Å; D85-I87 VanDerWaalsContact OD1-N 3.09Å; I87-E89 VanDerWaalsContact C-N 3.3Å; I87-E89 PolarHBondContact O-N 3.01Å; I87-A90 PolarHBondContact O-N 3.05Å; I87-F91 HydrophobicContact CG2-CD2 3.86Å; I87-F91 HydrophobicContact CG2-CE2 3.54Å; I87-F91 WeakPolarHBondContact O-CD2 3.33Å; I87-F91 PolarHBondContact O-N 3.24Å; I87-F91 VanDerWaalsContact O-N 3.13Å; I87-L123 HydrophobicContact CG1-CD1 3.81Å
88	G	87.4	Confident	90.1	Very high	13 Å²	13	32.5 Å²	32.5	13%	0.134	19%	0.186	C	C	.	.	H	α-helix	trans	-59.5	-37.2	171.1	0	0	0	0	0	113.2	D85 F91 A92	D85-G88 PolarHBondContact O-N 3.4Å; D85-G88 PolarHBondContact OD1-N 3.42Å; D85-G88 VanDerWaalsContact OD2-CA 3.31Å; D85-G88 WeakPolarHBondContact OD2-CA 3.49Å; D85-G88 PolarHBondContact OD2-N 3.25Å; G88-F91 PolarHBondContact O-N 3.45Å; G88-A92 WeakPolarHBondContact O-CB 3.42Å; G88-A92 PolarHBondContact O-N 2.99Å
89	E	91.1	Very high	90.1	Very high	31 Å²	31	29.9 Å²	29.9	15%	0.145	16%	0.164	C	C	.	.	H	α-helix	trans	-63.5	-44.3	176.2	-171.3	179.1	159.1	0	0	111.4	L77 A80 R81 D85 I87 A92 T93 H115 I119	L77-E89 HydrophobicContact CD1-CG 3.69Å; A80-E89 HydrophobicContact CB-CB 4.31Å; R81-E89 VanDerWaalsContact CG-CD 3.48Å; R81-E89 HydrophobicContact CG-CG 3.97Å; R81-E89 VanDerWaalsContact CG-OE2 3.24Å; R81-E89 WeakPolarHBondContact CG-OE2 3.44Å; R81-E89 IonicContact CZ-OE1 2.8Å; R81-E89 VanDerWaalsContact NE-CD 3.3Å; R81-E89 IonicContact NE-OE1 3.53Å; R81-E89 PolarHBondContact NE-OE1 2.92Å; R81-E89 IonicContact NE-OE2 3.8Å; R81-E89 IonicContact NH2-OE1 3.2Å; R81-E89 PolarHBondContact NH2-OE1 3.19Å; D85-E89 WeakPolarHBondContact O-CB 3.29Å; D85-E89 PolarHBondContact O-N 3.17Å; I87-E89 VanDerWaalsContact C-N 3.3Å; I87-E89 PolarHBondContact O-N 3.01Å; E89-A92 PolarHBondContact O-N 3.46Å; E89-T93 VanDerWaalsContact O-CB 3.24Å; E89-T93 WeakPolarHBondContact O-CB 3.35Å; E89-T93 PolarHBondContact O-N 3.08Å; E89-T93 PolarHBondContact O-OG1 3.48Å; E89-H115 IonicContact OE1-CD2 3.27Å; E89-H115 IonicContact OE1-CE1 3.6Å; E89-H115 IonicContact OE1-NE2 2.77Å; E89-H115 PolarHBondContact OE1-NE2 3.48Å; E89-I119 HydrophobicContact CB-CD1 4.12Å; E89-I119 HydrophobicContact CG-CD1 3.71Å
90	A	89.1	Confident	90.3	Very high	3 Å²	3	29.2 Å²	29.2	3%	0.025	16%	0.161	C	C	.	.	H	α-helix	trans	-60	-53	176.6	0	0	0	0	0	111	G86 I87 A92 T93 G94 E116 I119 T128	G86-A90 PolarHBondContact O-N 3.32Å; G86-A90 VanDerWaalsContact O-N 3.07Å; I87-A90 PolarHBondContact O-N 3.05Å; A90-A92 PolarHBondContact O-N 3.47Å; A90-T93 WeakPolarHBondContact O-CB 3.34Å; A90-T93 PolarHBondContact O-N 2.94Å; A90-T93 VanDerWaalsContact O-N 3.14Å; A90-G94 PolarHBondContact O-N 2.96Å; A90-E116 HydrophobicContact CB-CG 4.41Å; A90-I119 HydrophobicContact CB-CB 4.22Å; A90-I119 HydrophobicContact CB-CD1 4.28Å; A90-I119 HydrophobicContact CB-CG2 4.04Å; A90-T128 HydrophobicContact CB-CG2 4.13Å
91	F	89.5	Confident	90.3	Very high	41 Å²	41	30.6 Å²	30.6	18%	0.18	17%	0.167	C	C	.	.	H	α-helix	trans	-63.8	-38.2	179.4	-70.8	-57.1	0	0	0	113.7	I87 G88 T93 G94 N95 Q724	I87-F91 HydrophobicContact CG2-CD2 3.86Å; I87-F91 HydrophobicContact CG2-CE2 3.54Å; I87-F91 WeakPolarHBondContact O-CD2 3.33Å; I87-F91 PolarHBondContact O-N 3.24Å; I87-F91 VanDerWaalsContact O-N 3.13Å; G88-F91 PolarHBondContact O-N 3.45Å; F91-T93 VanDerWaalsContact C-N 3.3Å; F91-T93 PolarHBondContact O-N 3.28Å; F91-G94 PolarHBondContact O-N 3.23Å; F91-N95 WeakPolarHBondContact O-CB 3.35Å; F91-N95 PolarHBondContact O-N 3.21Å; F91-N95 VanDerWaalsContact O-N 3.07Å; F91-N95 PolarHBondContact O-ND2 3.4Å; F91-Q724 VanDerWaalsContact CD1-OE1 3.31Å; F91-Q724 VanDerWaalsContact CE1-OE1 3.3Å
92	A	89.7	Confident	90.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-65.3	-37	174.9	0	0	0	0	0	111.6	N76 L77 G88 E89 A90 L96	N76-A92 HydrophobicContact CB-CB 4.35Å; L77-A92 HydrophobicContact CB-CB 3.9Å; L77-A92 HydrophobicContact CD1-CB 4.19Å; G88-A92 WeakPolarHBondContact O-CB 3.42Å; G88-A92 PolarHBondContact O-N 2.99Å; E89-A92 PolarHBondContact O-N 3.46Å; A90-A92 PolarHBondContact O-N 3.47Å; A92-L96 VanDerWaalsContact O-CB 3.31Å; A92-L96 WeakPolarHBondContact O-CB 3.27Å; A92-L96 PolarHBondContact O-N 2.84Å
93	T	93	Very high	90.2	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-68.9	-44.4	175.8	-58	0	0	0	0	111.9	L77 E89 A90 F91 L96 G97 C112 H115 E116 F927	L77-T93 VanDerWaalsContact CD1-OG1 3.3Å; L77-T93 WeakPolarHBondContact CD1-OG1 3.36Å; E89-T93 VanDerWaalsContact O-CB 3.24Å; E89-T93 WeakPolarHBondContact O-CB 3.35Å; E89-T93 PolarHBondContact O-N 3.08Å; E89-T93 PolarHBondContact O-OG1 3.48Å; A90-T93 WeakPolarHBondContact O-CB 3.34Å; A90-T93 PolarHBondContact O-N 2.94Å; A90-T93 VanDerWaalsContact O-N 3.14Å; F91-T93 VanDerWaalsContact C-N 3.3Å; F91-T93 PolarHBondContact O-N 3.28Å; T93-L96 WeakPolarHBondContact O-CB 3.3Å; T93-L96 PolarHBondContact O-N 3.18Å; T93-G97 PolarHBondContact O-N 3.06Å; T93-C112 HydrophobicContact CG2-CB 3.95Å; T93-C112 WeakPolarHBondContact CG2-O 3.37Å; T93-H115 HydrophobicContact CG2-CB 4.08Å; T93-E116 HydrophobicContact CG2-CB 4.24Å; T93-F927 HydrophobicContact CG2-CE2 3.85Å; T93-F927 HydrophobicContact CG2-CZ 3.9Å
94	G	89.1	Confident	90.1	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.01	17%	0.166	C	C	.	.	H	α-helix	trans	-59.9	-46.6	175.9	0	0	0	0	0	112.3	A90 F91 L96 G97 N98 F113 E116	A90-G94 PolarHBondContact O-N 2.96Å; F91-G94 PolarHBondContact O-N 3.23Å; G94-L96 VanDerWaalsContact C-N 3.33Å; G94-L96 PolarHBondContact O-N 3.08Å; G94-G97 PolarHBondContact O-N 3.47Å; G94-G97 VanDerWaalsContact O-N 3.17Å; G94-N98 PolarHBondContact O-N 3.43Å; G94-N98 PolarHBondContact O-ND2 2.81Å; G94-F113 WeakPolarHBondContact O-CE1 3.38Å; G94-E116 WeakPolarHBondContact CA-OE1 3.47Å
95	N	90.8	Very high	90.2	Very high	10 Å²	10	26.7 Å²	26.7	5%	0.053	15%	0.149	C	C	.	.	H	α-helix	trans	-65.2	-34.6	176.5	-70.6	-38.6	0	0	0	113.2	F91 T99	F91-N95 WeakPolarHBondContact O-CB 3.35Å; F91-N95 PolarHBondContact O-N 3.21Å; F91-N95 VanDerWaalsContact O-N 3.07Å; F91-N95 PolarHBondContact O-ND2 3.4Å; N95-T99 PolarHBondContact O-N 3.41Å; N95-T99 PolarHBondContact O-OG1 3.07Å
96	L	93.1	Very high	90.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-64.3	-44.1	171.1	-179.4	55.6	0	0	0	111.7	L70 H73 R74 L77 A92 T93 G94 T99 L100 I931	L70-L96 HydrophobicContact CD1-CD1 3.45Å; L70-L96 VanDerWaalsContact CD1-CD1 3.45Å; L70-L96 HydrophobicContact CG-CD1 4.21Å; H73-L96 HydrophobicContact CB-CB 4.43Å; R74-L96 HydrophobicContact CG-CD1 3.58Å; R74-L96 HydrophobicContact CG-CD2 3.84Å; R74-L96 HydrophobicContact CG-CG 4.36Å; L77-L96 HydrophobicContact CD2-CD2 3.67Å; A92-L96 VanDerWaalsContact O-CB 3.31Å; A92-L96 WeakPolarHBondContact O-CB 3.27Å; A92-L96 PolarHBondContact O-N 2.84Å; T93-L96 WeakPolarHBondContact O-CB 3.3Å; T93-L96 PolarHBondContact O-N 3.18Å; G94-L96 VanDerWaalsContact C-N 3.33Å; G94-L96 PolarHBondContact O-N 3.08Å; L96-T99 PolarHBondContact O-N 3.24Å; L96-L100 HydrophobicContact CD1-CD1 4.08Å; L96-L100 HydrophobicContact CD1-CG 4.34Å; L96-L100 HydrophobicContact CG-CD1 3.95Å; L96-L100 WeakPolarHBondContact O-CB 3.36Å; L96-L100 WeakPolarHBondContact O-CG 3.47Å; L96-L100 PolarHBondContact O-N 2.69Å; L96-I931 HydrophobicContact CD2-CD1 3.59Å
97	G	92.5	Very high	90.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-60.4	-45.6	174.7	0	0	0	0	0	112.8	T93 G94 T99 L100 Q101 A109 C112	T93-G97 PolarHBondContact O-N 3.06Å; G94-G97 PolarHBondContact O-N 3.47Å; G94-G97 VanDerWaalsContact O-N 3.17Å; G97-T99 VanDerWaalsContact C-N 3.32Å; G97-T99 PolarHBondContact O-N 2.9Å; G97-L100 PolarHBondContact O-N 2.82Å; G97-Q101 WeakPolarHBondContact O-CB 3.22Å; G97-Q101 PolarHBondContact O-N 3.28Å; G97-A109 WeakPolarHBondContact O-CB 3.46Å; G97-C112 VanDerWaalsContact CA-CB 3.5Å
98	N	88.9	Confident	90.9	Very high	34 Å²	34	27 Å²	27	18%	0.182	14%	0.142	C	C	.	.	H	α-helix	trans	-58.3	-44.3	175.4	-77.1	-35.1	0	0	0	111.5	F61 G94 Q101 M102 F113	F61-N98 HydrophobicContact CE2-CB 4.42Å; G94-N98 PolarHBondContact O-N 3.43Å; G94-N98 PolarHBondContact O-ND2 2.81Å; N98-Q101 PolarHBondContact O-N 3.45Å; N98-M102 WeakPolarHBondContact O-CG 3.46Å; N98-M102 PolarHBondContact O-N 3.17Å; N98-M102 VanDerWaalsContact O-N 3.09Å; N98-F113 VanDerWaalsContact N-CZ 3.28Å; N98-F113 WeakPolarHBondContact OD1-CZ 3.39Å
99	T	91.8	Very high	91.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63	-46.6	176.4	-55.4	0	0	0	0	111.6	Y66 A69 L70 H73 N95 L96 G97 Q101 M102 M103	Y66-T99 WeakPolarHBondContact O-CG2 3.21Å; A69-T99 HydrophobicContact CB-CG2 3.99Å; L70-T99 HydrophobicContact CB-CG2 4Å; L70-T99 HydrophobicContact CD1-CG2 3.92Å; H73-T99 PolarHBondContact CD2-OG1 3.46Å; H73-T99 VanDerWaalsContact CD2-OG1 3.31Å; N95-T99 PolarHBondContact O-N 3.41Å; N95-T99 PolarHBondContact O-OG1 3.07Å; L96-T99 PolarHBondContact O-N 3.24Å; G97-T99 VanDerWaalsContact C-N 3.32Å; G97-T99 PolarHBondContact O-N 2.9Å; T99-Q101 VanDerWaalsContact C-N 3.32Å; T99-Q101 PolarHBondContact O-N 3.19Å; T99-M102 PolarHBondContact O-N 3.48Å; T99-M103 HydrophobicContact CG2-SD 4.43Å; T99-M103 WeakPolarHBondContact O-CG 3.45Å; T99-M103 PolarHBondContact O-N 2.87Å
100	L	92.6	Very high	91.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.1	-35.8	177.7	-72.3	163.3	0	0	0	112.5	L70 L96 G97 M103 G104 K105 E108 A109 C112 I934	L70-L100 HydrophobicContact CD1-CD2 3.61Å; L70-L100 HydrophobicContact CD1-CG 3.73Å; L96-L100 HydrophobicContact CD1-CD1 4.08Å; L96-L100 HydrophobicContact CD1-CG 4.34Å; L96-L100 HydrophobicContact CG-CD1 3.95Å; L96-L100 WeakPolarHBondContact O-CB 3.36Å; L96-L100 WeakPolarHBondContact O-CG 3.47Å; L96-L100 PolarHBondContact O-N 2.69Å; G97-L100 PolarHBondContact O-N 2.82Å; L100-M103 CarbonylContact O-C 3.59Å; L100-M103 PolarHBondContact O-N 3.35Å; L100-G104 PolarHBondContact O-N 2.7Å; L100-K105 HydrophobicContact CB-CB 4.43Å; L100-K105 HydrophobicContact CD2-CB 4.2Å; L100-K105 HydrophobicContact CD2-CD 3.87Å; L100-K105 PolarHBondContact O-N 2.87Å; L100-E108 HydrophobicContact CD1-CB 4Å; L100-E108 HydrophobicContact CD2-CB 4.07Å; L100-E108 HydrophobicContact CG-CB 4.47Å; L100-A109 HydrophobicContact CB-CB 3.84Å; L100-C112 VanDerWaalsContact CD1-SG 3.55Å; L100-I934 HydrophobicContact CD1-CD1 4.46Å; L100-I934 HydrophobicContact CD2-CD1 4.35Å
101	Q	91.1	Very high	91.9	Very high	28 Å²	28	27.7 Å²	27.7	13%	0.131	14%	0.142	C	C	.	.	H	α-helix	trans	-64.2	-43.7	174	177.9	172.6	-15.1	0	0	111.6	G97 N98 T99 M103 G104 Y106 A109 S138 V139	G97-Q101 WeakPolarHBondContact O-CB 3.22Å; G97-Q101 PolarHBondContact O-N 3.28Å; N98-Q101 PolarHBondContact O-N 3.45Å; T99-Q101 VanDerWaalsContact C-N 3.32Å; T99-Q101 PolarHBondContact O-N 3.19Å; Q101-M103 VanDerWaalsContact C-N 3.29Å; Q101-M103 PolarHBondContact O-N 3.1Å; Q101-G104 PolarHBondContact O-N 3.3Å; Q101-Y106 HydrophobicContact CG-CD1 4.38Å; Q101-Y106 HydrophobicContact CG-CE1 4.35Å; Q101-A109 HydrophobicContact CB-CB 4.1Å; Q101-S138 PolarHBondContact NE2-OG 3.27Å; Q101-V139 HydrophobicContact CB-CG2 4.45Å; Q101-V139 HydrophobicContact CG-CG2 4.33Å
102	M	88.8	Confident	92.1	Very high	69 Å²	69	25.8 Å²	25.8	34%	0.34	13%	0.134	S	C	.	.	H	α-helix	trans	-67.3	-28.9	175.7	-65.8	-55.1	-68	0	0	112.8	F61 Y66 N98 T99 G104 F788	F61-M102 HydrophobicContact CE2-CB 4.21Å; F61-M102 HydrophobicContact CE2-CG 3.55Å; F61-M102 HydrophobicContact CZ-CG 3.59Å; Y66-M102 HydrophobicContact CD1-CB 3.81Å; Y66-M102 HydrophobicContact CD1-CG 4.49Å; Y66-M102 HydrophobicContact CD2-CB 4.37Å; Y66-M102 HydrophobicContact CE1-CB 3.66Å; Y66-M102 HydrophobicContact CE1-CE 4.46Å; Y66-M102 HydrophobicContact CE1-CG 4Å; Y66-M102 HydrophobicContact CE2-CB 4.23Å; Y66-M102 HydrophobicContact CG-CB 4.17Å; Y66-M102 WeakPolarHBondContact OH-CE 3.46Å; N98-M102 WeakPolarHBondContact O-CG 3.46Å; N98-M102 PolarHBondContact O-N 3.17Å; N98-M102 VanDerWaalsContact O-N 3.09Å; T99-M102 PolarHBondContact O-N 3.48Å; M102-G104 PolarHBondContact O-N 3.38Å; M102-F788 HydrophobicContact CE-CZ 4.33Å
103	M	90.1	Very high	92.4	Very high	71 Å²	71	25.8 Å²	25.8	35%	0.35	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	3.8	169.6	-62.6	-178.4	91	0	0	113.9	Y66 L70 T99 L100 Q101 K105	Y66-M103 HydrophobicContact CG-CG 4.43Å; L70-M103 HydrophobicContact CB-SD 4.4Å; L70-M103 HydrophobicContact CD1-SD 4.11Å; L70-M103 HydrophobicContact CD2-SD 4.05Å; L70-M103 HydrophobicContact CG-SD 4.43Å; T99-M103 HydrophobicContact CG2-SD 4.43Å; T99-M103 WeakPolarHBondContact O-CG 3.45Å; T99-M103 PolarHBondContact O-N 2.87Å; L100-M103 CarbonylContact O-C 3.59Å; L100-M103 PolarHBondContact O-N 3.35Å; Q101-M103 VanDerWaalsContact C-N 3.29Å; Q101-M103 PolarHBondContact O-N 3.1Å; M103-K105 HydrophobicContact CB-CG 4.09Å; M103-K105 PolarHBondContact O-N 2.79Å
104	G	88.2	Confident	92.6	Very high	34 Å²	34	27 Å²	27	35%	0.351	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	9	-177.8	0	0	0	0	0	114.9	L100 Q101 M102 Y106	L100-G104 PolarHBondContact O-N 2.7Å; Q101-G104 PolarHBondContact O-N 3.3Å; M102-G104 PolarHBondContact O-N 3.38Å; G104-Y106 VanDerWaalsContact C-N 3.26Å; G104-Y106 WeakPolarHBondContact O-CD2 3.35Å; G104-Y106 PolarHBondContact O-N 3.03Å
105	K	91.8	Very high	92.9	Very high	71 Å²	71	27.4 Å²	27.4	31%	0.309	14%	0.144	S	C	.	.			trans	-88.3	60	-176.8	-57	-160.8	-166.8	173	0	111.6	L100 M103 D107 E108 A109	L100-K105 HydrophobicContact CB-CB 4.43Å; L100-K105 HydrophobicContact CD2-CB 4.2Å; L100-K105 HydrophobicContact CD2-CD 3.87Å; L100-K105 PolarHBondContact O-N 2.87Å; M103-K105 HydrophobicContact CB-CG 4.09Å; M103-K105 PolarHBondContact O-N 2.79Å; K105-D107 VanDerWaalsContact C-N 3.3Å; K105-D107 PolarHBondContact O-N 3.32Å; K105-D107 VanDerWaalsContact O-N 3.16Å; K105-E108 HydrophobicContact CB-CB 4.22Å; K105-E108 WeakPolarHBondContact CD-OE2 3.28Å; K105-E108 IonicContact NZ-OE2 2.72Å; K105-E108 PolarHBondContact NZ-OE2 2.87Å; K105-E108 PolarHBondContact O-N 2.89Å; K105-A109 PolarHBondContact O-N 3.39Å
106	Y	92.6	Very high	93.1	Very high	48 Å²	48	27.4 Å²	27.4	19%	0.188	14%	0.144	C	C	.	.	H	α-helix	trans	-57.5	-35.8	-166.5	-53.8	-54.3	0	0	0	114.7	Q101 G104 A109 I110 V139 A142 K143 Q146	Q101-Y106 HydrophobicContact CG-CD1 4.38Å; Q101-Y106 HydrophobicContact CG-CE1 4.35Å; G104-Y106 VanDerWaalsContact C-N 3.26Å; G104-Y106 WeakPolarHBondContact O-CD2 3.35Å; G104-Y106 PolarHBondContact O-N 3.03Å; Y106-A109 PolarHBondContact O-N 3.25Å; Y106-I110 WeakPolarHBondContact O-CB 3.33Å; Y106-I110 WeakPolarHBondContact O-CD1 3.43Å; Y106-I110 WeakPolarHBondContact O-CG1 3.33Å; Y106-I110 PolarHBondContact O-N 3.2Å; Y106-V139 HydrophobicContact CD1-CG2 4.06Å; Y106-A142 HydrophobicContact CD1-CB 4.19Å; Y106-A142 HydrophobicContact CE1-CB 3.75Å; Y106-K143 HydrophobicContact CD2-CB 3.98Å; Y106-K143 HydrophobicContact CD2-CG 4.17Å; Y106-K143 HydrophobicContact CG-CB 3.93Å; Y106-K143 HydrophobicContact CG-CG 4.4Å; Y106-Q146 HydrophobicContact CE2-CB 4.26Å; Y106-Q146 HydrophobicContact CE2-CG 4.49Å
107	D	93.9	Very high	93.3	Very high	91 Å²	91	27.9 Å²	27.9	49%	0.487	15%	0.146	S	C	.	.	H	α-helix	trans	-70.1	-36.3	177.6	-68	-61.9	0	0	0	113.2	K105 I110 M111 K143	K105-D107 VanDerWaalsContact C-N 3.3Å; K105-D107 PolarHBondContact O-N 3.32Å; K105-D107 VanDerWaalsContact O-N 3.16Å; D107-I110 PolarHBondContact O-N 2.97Å; D107-M111 PolarHBondContact O-N 3.2Å; D107-M111 VanDerWaalsContact O-N 3.15Å; D107-K143 IonicContact OD1-NZ 3.84Å; D107-K143 PolarHBondContact OD1-NZ 2.93Å; D107-K143 IonicContact OD2-NZ 2.74Å; D107-K143 PolarHBondContact OD2-NZ 3.42Å
108	E	94.3	Very high	93.5	Very high	23 Å²	23	29.7 Å²	29.7	11%	0.107	16%	0.157	C	C	.	.	H	α-helix	trans	-69.9	-36.3	175.1	-64.4	168.9	-153.8	0	0	110.2	L100 K105 M111 C112 M930	L100-E108 HydrophobicContact CD1-CB 4Å; L100-E108 HydrophobicContact CD2-CB 4.07Å; L100-E108 HydrophobicContact CG-CB 4.47Å; K105-E108 HydrophobicContact CB-CB 4.22Å; K105-E108 WeakPolarHBondContact CD-OE2 3.28Å; K105-E108 IonicContact NZ-OE2 2.72Å; K105-E108 PolarHBondContact NZ-OE2 2.87Å; K105-E108 PolarHBondContact O-N 2.89Å; E108-M111 HydrophobicContact CG-CE 4.32Å; E108-C112 PolarHBondContact O-N 3.22Å; E108-C112 PolarHBondContact O-SG 3.24Å; E108-M930 HydrophobicContact CB-CG 4.45Å; E108-M930 HydrophobicContact CB-SD 3.9Å; E108-M930 HydrophobicContact CG-CG 4.3Å; E108-M930 HydrophobicContact CG-SD 4.36Å
109	A	94.3	Very high	93.7	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-68.5	-38.5	171.8	0	0	0	0	0	113.5	G97 L100 Q101 K105 Y106 M111 C112 F113 V139	G97-A109 WeakPolarHBondContact O-CB 3.46Å; L100-A109 HydrophobicContact CB-CB 3.84Å; Q101-A109 HydrophobicContact CB-CB 4.1Å; K105-A109 PolarHBondContact O-N 3.39Å; Y106-A109 PolarHBondContact O-N 3.25Å; A109-M111 VanDerWaalsContact C-N 3.34Å; A109-M111 PolarHBondContact O-N 3.03Å; A109-C112 WeakPolarHBondContact O-CB 3.41Å; A109-C112 PolarHBondContact O-N 3.43Å; A109-F113 HydrophobicContact CB-CE2 4.17Å; A109-F113 WeakPolarHBondContact O-CD2 3.45Å; A109-F113 PolarHBondContact O-N 2.96Å; A109-V139 HydrophobicContact CB-CG2 3.75Å
110	I	96.7	Very high	93.9	Very high	15 Å²	15	29 Å²	29	8%	0.077	15%	0.154	C	C	.	.	H	α-helix	trans	-60.5	-42.4	174.7	-76	159.3	0	0	0	111	Y106 D107 C112 S114 V139 Y140 K143	Y106-I110 WeakPolarHBondContact O-CB 3.33Å; Y106-I110 WeakPolarHBondContact O-CD1 3.43Å; Y106-I110 WeakPolarHBondContact O-CG1 3.33Å; Y106-I110 PolarHBondContact O-N 3.2Å; D107-I110 PolarHBondContact O-N 2.97Å; I110-C112 VanDerWaalsContact C-N 3.34Å; I110-S114 VanDerWaalsContact O-CB 3.29Å; I110-S114 WeakPolarHBondContact O-CB 3.44Å; I110-S114 PolarHBondContact O-N 3.08Å; I110-S114 PolarHBondContact O-OG 3.02Å; I110-V139 HydrophobicContact CD1-CG1 4.44Å; I110-V139 HydrophobicContact CG1-CB 4.43Å; I110-V139 HydrophobicContact CG1-CG1 3.48Å; I110-V139 VanDerWaalsContact CG1-CG1 3.48Å; I110-V139 HydrophobicContact CG1-CG2 4.04Å; I110-Y140 HydrophobicContact CD1-CD1 4.07Å; I110-Y140 HydrophobicContact CD1-CD2 4.43Å; I110-Y140 HydrophobicContact CD1-CE1 3.66Å; I110-Y140 HydrophobicContact CD1-CE2 4.04Å; I110-Y140 HydrophobicContact CD1-CG 4.45Å; I110-Y140 HydrophobicContact CG1-CD2 4.32Å; I110-Y140 HydrophobicContact CG1-CE1 4.44Å; I110-Y140 HydrophobicContact CG1-CE2 3.91Å; I110-Y140 HydrophobicContact CG2-CE2 4.09Å; I110-K143 HydrophobicContact CD1-CD 4.15Å
111	M	96.1	Very high	94.1	Very high	46 Å²	46	34 Å²	34	23%	0.227	17%	0.173	C	C	.	.	H	α-helix	trans	-61.4	-42.5	174.5	-74.7	-175.7	-76.8	0	0	111.4	D107 E108 A109 S114 H115 E926 M930	D107-M111 PolarHBondContact O-N 3.2Å; D107-M111 VanDerWaalsContact O-N 3.15Å; E108-M111 HydrophobicContact CG-CE 4.32Å; A109-M111 VanDerWaalsContact C-N 3.34Å; A109-M111 PolarHBondContact O-N 3.03Å; M111-S114 PolarHBondContact O-N 3.48Å; M111-H115 WeakPolarHBondContact O-CB 3.44Å; M111-H115 PolarHBondContact O-N 3.49Å; M111-E926 HydrophobicContact SD-CB 4.39Å; M111-M930 HydrophobicContact CB-CE 4.49Å; M111-M930 HydrophobicContact CB-SD 3.91Å; M111-M930 HydrophobicContact CE-CB 3.93Å; M111-M930 HydrophobicContact CE-CG 3.83Å; M111-M930 HydrophobicContact CE-SD 3.75Å; M111-M930 HydrophobicContact SD-CB 4.2Å; M111-M930 HydrophobicContact SD-SD 4.43Å
112	C	94.9	Very high	94.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59	-56.7	175.4	-63.8	0	0	0	0	112.8	T93 G97 L100 E108 A109 I110 S114 H115 E116 F927	T93-C112 HydrophobicContact CG2-CB 3.95Å; T93-C112 WeakPolarHBondContact CG2-O 3.37Å; G97-C112 VanDerWaalsContact CA-CB 3.5Å; L100-C112 VanDerWaalsContact CD1-SG 3.55Å; E108-C112 PolarHBondContact O-N 3.22Å; E108-C112 PolarHBondContact O-SG 3.24Å; A109-C112 WeakPolarHBondContact O-CB 3.41Å; A109-C112 PolarHBondContact O-N 3.43Å; I110-C112 VanDerWaalsContact C-N 3.34Å; C112-S114 PolarHBondContact O-N 2.84Å; C112-H115 WeakPolarHBondContact O-CB 3.35Å; C112-H115 PolarHBondContact O-N 3.01Å; C112-E116 PolarHBondContact O-N 3.37Å; C112-F927 HydrophobicContact CB-CE2 4.41Å
113	F	96.1	Very high	94.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-68.1	-23.7	-176.9	-55.1	-53	0	0	0	113	G94 N98 A109 E116 L117 N135 L136 V139	G94-F113 WeakPolarHBondContact O-CE1 3.38Å; N98-F113 VanDerWaalsContact N-CZ 3.28Å; N98-F113 WeakPolarHBondContact OD1-CZ 3.39Å; A109-F113 HydrophobicContact CB-CE2 4.17Å; A109-F113 WeakPolarHBondContact O-CD2 3.45Å; A109-F113 PolarHBondContact O-N 2.96Å; F113-E116 WeakPolarHBondContact CD1-OE2 3.44Å; F113-L117 WeakPolarHBondContact O-CB 3.24Å; F113-L117 PolarHBondContact O-N 2.91Å; F113-N135 HydrophobicContact CB-CB 4.29Å; F113-N135 HydrophobicContact CD1-CB 3.46Å; F113-N135 VanDerWaalsContact CD1-CB 3.46Å; F113-N135 HydrophobicContact CD2-CB 3.96Å; F113-N135 HydrophobicContact CE1-CB 3.53Å; F113-N135 HydrophobicContact CE2-CB 4.04Å; F113-N135 HydrophobicContact CG-CB 3.66Å; F113-N135 HydrophobicContact CZ-CB 3.81Å; F113-L136 HydrophobicContact CB-CD2 3.78Å; F113-L136 HydrophobicContact CB-CG 3.68Å; F113-V139 HydrophobicContact CD2-CB 4.2Å; F113-V139 HydrophobicContact CD2-CG1 3.88Å; F113-V139 HydrophobicContact CE2-CB 4.02Å; F113-V139 HydrophobicContact CE2-CG1 4.22Å
114	S	97.5	Very high	94.8	Very high	26 Å²	26	43 Å²	43	18%	0.182	22%	0.218	C	C	.	.	H	α-helix	trans	-70.8	-35.8	171.1	-56.9	0	0	0	0	112.3	I110 M111 C112 T118	I110-S114 VanDerWaalsContact O-CB 3.29Å; I110-S114 WeakPolarHBondContact O-CB 3.44Å; I110-S114 PolarHBondContact O-N 3.08Å; I110-S114 PolarHBondContact O-OG 3.02Å; M111-S114 PolarHBondContact O-N 3.48Å; C112-S114 PolarHBondContact O-N 2.84Å; S114-T118 WeakPolarHBondContact O-CB 3.38Å; S114-T118 PolarHBondContact O-N 3.39Å; S114-T118 VanDerWaalsContact O-N 3.14Å; S114-T118 PolarHBondContact O-OG1 3.27Å
115	H	95.8	Very high	94.9	Very high	10 Å²	10	43.8 Å²	43.8	5%	0.046	22%	0.215	C	C	.	.	H	α-helix	trans	-71.7	-46.6	174.4	-170	62.4	0	0	0	111.8	R81 E89 T93 M111 C112 L117 T118 I119 D924 F927	R81-H115 PolarHBondContact NH2-NE2 3.4Å; E89-H115 IonicContact OE1-CD2 3.27Å; E89-H115 IonicContact OE1-CE1 3.6Å; E89-H115 IonicContact OE1-NE2 2.77Å; E89-H115 PolarHBondContact OE1-NE2 3.48Å; T93-H115 HydrophobicContact CG2-CB 4.08Å; M111-H115 WeakPolarHBondContact O-CB 3.44Å; M111-H115 PolarHBondContact O-N 3.49Å; C112-H115 WeakPolarHBondContact O-CB 3.35Å; C112-H115 PolarHBondContact O-N 3.01Å; H115-L117 VanDerWaalsContact C-N 3.31Å; H115-L117 PolarHBondContact O-N 3.24Å; H115-T118 WeakPolarHBondContact O-CB 3.31Å; H115-T118 PolarHBondContact O-N 2.94Å; H115-I119 WeakPolarHBondContact NE2-CD1 3.33Å; H115-I119 WeakPolarHBondContact O-CG1 3.46Å; H115-I119 PolarHBondContact O-N 2.89Å; H115-D924 IonicContact CE1-OD1 2.75Å; H115-D924 PolarHBondContact CE1-OD1 2.88Å; H115-D924 IonicContact ND1-OD1 3.95Å; H115-F927 HydrophobicContact CB-CD2 3.73Å; H115-F927 HydrophobicContact CB-CE2 3.98Å; H115-F927 HydrophobicContact CB-CG 4.11Å; H115-F927 AromaticContact CD2-CE1 3.87Å; H115-F927 AromaticContact CD2-CZ 3.96Å; H115-F927 AromaticContact CG-CG 3.99Å
116	E	94.8	Very high	94.9	Very high	9 Å²	9	43.7 Å²	43.7	4%	0.042	21%	0.214	C	C	.	.	H	α-helix	trans	-51.8	-48.6	171.4	-176.5	-173.9	-149.4	0	0	111.4	A90 T93 G94 C112 F113 T118 I119 A120 T128 A132 N135	A90-E116 HydrophobicContact CB-CG 4.41Å; T93-E116 HydrophobicContact CG2-CB 4.24Å; G94-E116 WeakPolarHBondContact CA-OE1 3.47Å; C112-E116 PolarHBondContact O-N 3.37Å; F113-E116 WeakPolarHBondContact CD1-OE2 3.44Å; E116-T118 VanDerWaalsContact C-N 3.29Å; E116-T118 PolarHBondContact O-N 3.48Å; E116-I119 PolarHBondContact O-N 3.38Å; E116-A120 WeakPolarHBondContact O-CB 3.46Å; E116-A120 PolarHBondContact O-N 3.39Å; E116-T128 HydrophobicContact CG-CG2 4.22Å; E116-A132 HydrophobicContact CB-CB 4.22Å; E116-A132 HydrophobicContact CG-CB 3.86Å; E116-N135 PolarHBondContact OE2-ND2 3.02Å
117	L	96	Very high	94.8	Very high	10 Å²	10	48.9 Å²	48.9	5%	0.052	23%	0.233	C	C	.	.	H	α-helix	trans	-60.5	-36.4	176.3	179.7	58.4	0	0	0	112.9	F113 H115 R121 E129 A132 L133 L136	F113-L117 WeakPolarHBondContact O-CB 3.24Å; F113-L117 PolarHBondContact O-N 2.91Å; H115-L117 VanDerWaalsContact C-N 3.31Å; H115-L117 PolarHBondContact O-N 3.24Å; L117-R121 HydrophobicContact CD1-CG 4.46Å; L117-R121 WeakPolarHBondContact O-CB 3.32Å; L117-R121 WeakPolarHBondContact O-CD 3.26Å; L117-R121 VanDerWaalsContact O-CG 3.25Å; L117-R121 WeakPolarHBondContact O-CG 3.37Å; L117-R121 PolarHBondContact O-N 3.5Å; L117-R121 VanDerWaalsContact O-N 3.12Å; L117-E129 HydrophobicContact CD1-CB 4.48Å; L117-E129 HydrophobicContact CD1-CG 3.71Å; L117-A132 HydrophobicContact CB-CB 3.8Å; L117-A132 HydrophobicContact CD1-CB 4.24Å; L117-L133 HydrophobicContact CD1-CD2 4.07Å; L117-L133 HydrophobicContact CD1-CG 3.91Å; L117-L133 HydrophobicContact CD2-CD2 3.84Å; L117-L136 HydrophobicContact CB-CD1 4.39Å; L117-L136 HydrophobicContact CD2-CD1 3.59Å
118	T	97.4	Very high	94.6	Very high	38 Å²	38	45.1 Å²	45.1	23%	0.233	21%	0.213	C	C	.	.	H	α-helix	trans	-72.2	-43.4	-179.4	-60.4	0	0	0	0	111	S114 H115 E116 R121 H122 T920	S114-T118 WeakPolarHBondContact O-CB 3.38Å; S114-T118 PolarHBondContact O-N 3.39Å; S114-T118 VanDerWaalsContact O-N 3.14Å; S114-T118 PolarHBondContact O-OG1 3.27Å; H115-T118 WeakPolarHBondContact O-CB 3.31Å; H115-T118 PolarHBondContact O-N 2.94Å; E116-T118 VanDerWaalsContact C-N 3.29Å; E116-T118 PolarHBondContact O-N 3.48Å; T118-R121 PolarHBondContact O-N 3.39Å; T118-H122 PolarHBondContact O-N 3.23Å; T118-T920 HydrophobicContact CG2-CG2 4.29Å
119	I	93.6	Very high	94.5	Very high	20 Å²	20	44.8 Å²	44.8	10%	0.103	21%	0.212	C	C	.	.	H	α-helix	trans	-62.6	-50	173.7	-59	160.1	0	0	0	110.7	G86 E89 A90 H115 E116 R121 H122 L123	G86-I119 VanDerWaalsContact O-CG2 3.27Å; G86-I119 WeakPolarHBondContact O-CG2 3.38Å; E89-I119 HydrophobicContact CB-CD1 4.12Å; E89-I119 HydrophobicContact CG-CD1 3.71Å; A90-I119 HydrophobicContact CB-CB 4.22Å; A90-I119 HydrophobicContact CB-CD1 4.28Å; A90-I119 HydrophobicContact CB-CG2 4.04Å; H115-I119 WeakPolarHBondContact NE2-CD1 3.33Å; H115-I119 WeakPolarHBondContact O-CG1 3.46Å; H115-I119 PolarHBondContact O-N 2.89Å; E116-I119 PolarHBondContact O-N 3.38Å; I119-R121 PolarHBondContact O-N 2.95Å; I119-H122 WeakPolarHBondContact O-CB 3.44Å; I119-H122 PolarHBondContact O-N 3.12Å; I119-L123 HydrophobicContact CG2-CD1 3.7Å; I119-L123 HydrophobicContact CG2-CG 4.09Å; I119-L123 WeakPolarHBondContact O-CG 3.42Å; I119-L123 PolarHBondContact O-N 3Å
120	A	94.3	Very high	94.3	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.008	22%	0.215	C	C	.	.	H	α-helix	trans	-57.5	-39.4	-178.6	0	0	0	0	0	112	E116 N124 D125 T128 E129	E116-A120 WeakPolarHBondContact O-CB 3.46Å; E116-A120 PolarHBondContact O-N 3.39Å; A120-N124 CarbonylContact O-C 3.54Å; A120-N124 WeakPolarHBondContact O-CA 3.39Å; A120-N124 PolarHBondContact O-N 2.95Å; A120-D125 PolarHBondContact O-N 2.88Å; A120-T128 HydrophobicContact CB-CG2 3.93Å; A120-E129 HydrophobicContact CB-CB 4.16Å
121	R	96.8	Very high	94	Very high	104 Å²	104	45.8 Å²	45.8	39%	0.392	23%	0.226	S	C	.	.	H	α-helix	trans	-65.4	-41.8	172.6	-78	173.4	169.6	160.3	6.5	113.4	L117 T118 I119 N124 E129	L117-R121 HydrophobicContact CD1-CG 4.46Å; L117-R121 WeakPolarHBondContact O-CB 3.32Å; L117-R121 WeakPolarHBondContact O-CD 3.26Å; L117-R121 VanDerWaalsContact O-CG 3.25Å; L117-R121 WeakPolarHBondContact O-CG 3.37Å; L117-R121 PolarHBondContact O-N 3.5Å; L117-R121 VanDerWaalsContact O-N 3.12Å; T118-R121 PolarHBondContact O-N 3.39Å; I119-R121 PolarHBondContact O-N 2.95Å; R121-N124 PolarHBondContact O-N 3.33Å; R121-E129 HydrophobicContact CG-CG 4.28Å; R121-E129 IonicContact CZ-OE1 3.7Å; R121-E129 IonicContact NE-OE1 2.77Å; R121-E129 PolarHBondContact NE-OE1 3.44Å; R121-E129 IonicContact NH2-OE1 3.21Å; R121-E129 PolarHBondContact NH2-OE1 3.35Å
122	H	96.6	Very high	93.8	Very high	167 Å²	167	43.6 Å²	43.6	77%	0.773	22%	0.215	S	C	*	.	H	α-helix	trans	-64.8	-40.8	178.1	-172.1	81	0	0	0	112.1	T118 I119 N124	T118-H122 PolarHBondContact O-N 3.23Å; I119-H122 WeakPolarHBondContact O-CB 3.44Å; I119-H122 PolarHBondContact O-N 3.12Å; H122-N124 PolarHBondContact O-N 3.42Å
123	L	94.2	Very high	93.8	Very high	82 Å²	82	43.8 Å²	43.8	43%	0.429	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-9.1	174.8	-59.7	179.2	0	0	0	113.3	I87 I119 D125	I87-L123 HydrophobicContact CG1-CD1 3.81Å; I119-L123 HydrophobicContact CG2-CD1 3.7Å; I119-L123 HydrophobicContact CG2-CG 4.09Å; I119-L123 WeakPolarHBondContact O-CG 3.42Å; I119-L123 PolarHBondContact O-N 3Å; L123-D125 PolarHBondContact O-N 3.4Å
124	N	95.2	Very high	93.7	Very high	108 Å²	108	46 Å²	46	58%	0.578	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.8	27.1	-170.4	-168.8	56.9	0	0	0	114.2	A120 R121 H122 K126	A120-N124 CarbonylContact O-C 3.54Å; A120-N124 WeakPolarHBondContact O-CA 3.39Å; A120-N124 PolarHBondContact O-N 2.95Å; R121-N124 PolarHBondContact O-N 3.33Å; H122-N124 PolarHBondContact O-N 3.42Å; N124-K126 PolarHBondContact O-N 3.1Å; N124-K126 WeakPolarHBondContact OD1-CE 3.5Å; N124-K126 PolarHBondContact OD1-NZ 2.9Å
125	D	90.4	Very high	93.5	Very high	51 Å²	51	46 Å²	46	27%	0.273	22%	0.222	S	C	.	.			trans	-76	102.8	171.2	179.9	-4.9	0	0	0	109.9	A120 L123 R127 T128 E129	A120-D125 PolarHBondContact O-N 2.88Å; L123-D125 PolarHBondContact O-N 3.4Å; D125-R127 VanDerWaalsContact C-N 3.34Å; D125-R127 WeakPolarHBondContact OD1-CA 3.22Å; D125-R127 PolarHBondContact OD1-N 3.29Å; D125-T128 PolarHBondContact OD1-N 2.85Å; D125-T128 WeakPolarHBondContact OD2-CB 3.46Å; D125-T128 PolarHBondContact OD2-OG1 3.32Å; D125-E129 VanDerWaalsContact O-CB 3.29Å; D125-E129 WeakPolarHBondContact O-CB 3.37Å; D125-E129 PolarHBondContact O-N 3.21Å
126	K	92.1	Very high	93.5	Very high	68 Å²	68	45.5 Å²	45.5	30%	0.296	22%	0.22	S	C	.	.	H	α-helix	trans	-74.3	-21.2	179.8	-63.6	-41.2	-169.1	-164.7	0	114.1	N124 E129 A130 L175 L179	N124-K126 PolarHBondContact O-N 3.1Å; N124-K126 WeakPolarHBondContact OD1-CE 3.5Å; N124-K126 PolarHBondContact OD1-NZ 2.9Å; K126-E129 VanDerWaalsContact CD-OE2 3.23Å; K126-E129 WeakPolarHBondContact CD-OE2 3.42Å; K126-E129 WeakPolarHBondContact CE-OE2 3.4Å; K126-E129 IonicContact NZ-OE2 3.87Å; K126-E129 PolarHBondContact NZ-OE2 3.11Å; K126-A130 WeakPolarHBondContact O-CB 3.07Å; K126-A130 PolarHBondContact O-N 3.38Å; K126-A130 VanDerWaalsContact O-N 3.13Å; K126-L175 HydrophobicContact CB-CD1 4.22Å; K126-L175 HydrophobicContact CD-CD1 4.28Å; K126-L175 HydrophobicContact CG-CD1 4.39Å; K126-L175 WeakPolarHBondContact O-CD2 3.25Å; K126-L179 HydrophobicContact CB-CD1 4.39Å; K126-L179 HydrophobicContact CB-CD2 3.9Å
127	R	89.7	Confident	93.4	Very high	158 Å²	158	45 Å²	45	60%	0.596	22%	0.218	S	C	*	.	H	α-helix	trans	-77.7	-45.3	177.7	-159.3	173.2	-155.7	-173.4	4.7	110.4	D125 A130 G131 D181	D125-R127 VanDerWaalsContact C-N 3.34Å; D125-R127 WeakPolarHBondContact OD1-CA 3.22Å; D125-R127 PolarHBondContact OD1-N 3.29Å; R127-A130 PolarHBondContact O-N 3.31Å; R127-G131 PolarHBondContact O-N 3.41Å; R127-D181 IonicContact CZ-OD2 3.82Å; R127-D181 IonicContact NE-OD2 3.67Å; R127-D181 IonicContact NH2-OD2 2.7Å; R127-D181 PolarHBondContact NH2-OD2 3.35Å; R127-D181 VanDerWaalsContact NH2-OD2 3.12Å
128	T	88.9	Confident	93.2	Very high	11 Å²	11	46 Å²	46	7%	0.067	23%	0.226	C	C	.	.	H	α-helix	trans	-70.1	-33.3	174	-54	0	0	0	0	111.6	A90 E116 A120 D125 A130 G131 A132	A90-T128 HydrophobicContact CB-CG2 4.13Å; E116-T128 HydrophobicContact CG-CG2 4.22Å; A120-T128 HydrophobicContact CB-CG2 3.93Å; D125-T128 PolarHBondContact OD1-N 2.85Å; D125-T128 WeakPolarHBondContact OD2-CB 3.46Å; D125-T128 PolarHBondContact OD2-OG1 3.32Å; T128-A130 VanDerWaalsContact C-N 3.34Å; T128-A130 PolarHBondContact O-N 3.1Å; T128-G131 PolarHBondContact O-N 3.16Å; T128-A132 WeakPolarHBondContact O-CB 3.49Å; T128-A132 PolarHBondContact O-N 3.49Å
129	E	93.3	Very high	92.9	Very high	16 Å²	16	44.2 Å²	44.2	8%	0.075	22%	0.215	C	C	.	.	H	α-helix	trans	-59.6	-43.6	170.5	178	171	-164.3	0	0	111.5	L117 A120 R121 D125 K126 L133 L175	L117-E129 HydrophobicContact CD1-CB 4.48Å; L117-E129 HydrophobicContact CD1-CG 3.71Å; A120-E129 HydrophobicContact CB-CB 4.16Å; R121-E129 HydrophobicContact CG-CG 4.28Å; R121-E129 IonicContact CZ-OE1 3.7Å; R121-E129 IonicContact NE-OE1 2.77Å; R121-E129 PolarHBondContact NE-OE1 3.44Å; R121-E129 IonicContact NH2-OE1 3.21Å; R121-E129 PolarHBondContact NH2-OE1 3.35Å; D125-E129 VanDerWaalsContact O-CB 3.29Å; D125-E129 WeakPolarHBondContact O-CB 3.37Å; D125-E129 PolarHBondContact O-N 3.21Å; K126-E129 VanDerWaalsContact CD-OE2 3.23Å; K126-E129 WeakPolarHBondContact CD-OE2 3.42Å; K126-E129 WeakPolarHBondContact CE-OE2 3.4Å; K126-E129 IonicContact NZ-OE2 3.87Å; K126-E129 PolarHBondContact NZ-OE2 3.11Å; E129-L133 HydrophobicContact CG-CD1 4.05Å; E129-L133 WeakPolarHBondContact O-CB 3.33Å; E129-L133 VanDerWaalsContact O-CG 3.23Å; E129-L133 WeakPolarHBondContact O-CG 3.47Å; E129-L133 PolarHBondContact O-N 3.38Å; E129-L175 HydrophobicContact CB-CD2 3.84Å; E129-L175 HydrophobicContact CG-CD2 3.53Å
130	A	90.8	Very high	92.9	Very high	8 Å²	8	44.5 Å²	44.5	7%	0.066	22%	0.215	C	C	.	.	H	α-helix	trans	-65.7	-39.8	176.4	0	0	0	0	0	112.6	K126 R127 T128 L133 Y134 L175 V176 L179	K126-A130 WeakPolarHBondContact O-CB 3.07Å; K126-A130 PolarHBondContact O-N 3.38Å; K126-A130 VanDerWaalsContact O-N 3.13Å; R127-A130 PolarHBondContact O-N 3.31Å; T128-A130 VanDerWaalsContact C-N 3.34Å; T128-A130 PolarHBondContact O-N 3.1Å; A130-L133 PolarHBondContact O-N 2.8Å; A130-Y134 PolarHBondContact O-N 2.98Å; A130-L175 HydrophobicContact CB-CD2 3.99Å; A130-L175 HydrophobicContact CB-CG 4.21Å; A130-V176 HydrophobicContact CB-CG1 3.79Å; A130-L179 HydrophobicContact CB-CD1 4.42Å
131	G	89.3	Confident	92.6	Very high	29 Å²	29	45.4 Å²	45.4	30%	0.299	22%	0.218	S	C	.	.	H	α-helix	trans	-60.6	-51.4	174.4	0	0	0	0	0	112.4	R127 T128 L133 Y134 N135	R127-G131 PolarHBondContact O-N 3.41Å; T128-G131 PolarHBondContact O-N 3.16Å; G131-L133 VanDerWaalsContact C-N 3.32Å; G131-L133 PolarHBondContact O-N 3.36Å; G131-Y134 WeakPolarHBondContact O-CB 3.34Å; G131-Y134 PolarHBondContact O-N 3.28Å; G131-Y134 VanDerWaalsContact O-N 3.09Å; G131-N135 PolarHBondContact O-N 2.91Å; G131-N135 PolarHBondContact O-ND2 2.86Å
132	A	91.5	Very high	92.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.7	-37.9	179	0	0	0	0	0	112.6	E116 L117 T128 N135 L136	E116-A132 HydrophobicContact CB-CB 4.22Å; E116-A132 HydrophobicContact CG-CB 3.86Å; L117-A132 HydrophobicContact CB-CB 3.8Å; L117-A132 HydrophobicContact CD1-CB 4.24Å; T128-A132 WeakPolarHBondContact O-CB 3.49Å; T128-A132 PolarHBondContact O-N 3.49Å; A132-N135 PolarHBondContact O-N 3.09Å; A132-L136 WeakPolarHBondContact O-CB 3.36Å; A132-L136 WeakPolarHBondContact O-CG 3.36Å; A132-L136 PolarHBondContact O-N 2.88Å
133	L	96.2	Very high	91.7	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.016	18%	0.18	C	C	.	.	H	α-helix	trans	-63.9	-41.3	172.6	-71.6	168.6	0	0	0	112.2	L117 E129 A130 G131 G137 Y168 M171 L175	L117-L133 HydrophobicContact CD1-CD2 4.07Å; L117-L133 HydrophobicContact CD1-CG 3.91Å; L117-L133 HydrophobicContact CD2-CD2 3.84Å; E129-L133 HydrophobicContact CG-CD1 4.05Å; E129-L133 WeakPolarHBondContact O-CB 3.33Å; E129-L133 VanDerWaalsContact O-CG 3.23Å; E129-L133 WeakPolarHBondContact O-CG 3.47Å; E129-L133 PolarHBondContact O-N 3.38Å; A130-L133 PolarHBondContact O-N 2.8Å; G131-L133 VanDerWaalsContact C-N 3.32Å; G131-L133 PolarHBondContact O-N 3.36Å; L133-G137 PolarHBondContact O-N 3.49Å; L133-Y168 HydrophobicContact CD2-CD1 3.97Å; L133-M171 HydrophobicContact CD1-CB 4.14Å; L133-M171 HydrophobicContact CD2-CB 4.07Å; L133-M171 HydrophobicContact CD2-CE 4.15Å; L133-M171 HydrophobicContact CD2-SD 4.48Å; L133-L175 HydrophobicContact CD1-CD2 4.32Å
134	Y	93.4	Very high	91.1	Very high	47 Å²	47	32 Å²	32	18%	0.184	16%	0.163	C	C	.	.	H	α-helix	trans	-65	-42.4	175	-175.2	-94.4	0	0	0	112	A130 G131 G137 S138 Y169 S191	A130-Y134 PolarHBondContact O-N 2.98Å; G131-Y134 WeakPolarHBondContact O-CB 3.34Å; G131-Y134 PolarHBondContact O-N 3.28Å; G131-Y134 VanDerWaalsContact O-N 3.09Å; Y134-G137 PolarHBondContact O-N 2.89Å; Y134-S138 PolarHBondContact O-N 2.86Å; Y134-Y169 AromaticContact CD2-CD1 3.93Å; Y134-Y169 HydrophobicContact CD2-CD1 3.93Å; Y134-Y169 AromaticContact CD2-CE1 3.83Å; Y134-Y169 HydrophobicContact CD2-CE1 3.83Å; Y134-Y169 HydrophobicContact CE2-CD1 4.12Å; Y134-Y169 AromaticContact CE2-CE1 3.72Å; Y134-Y169 HydrophobicContact CE2-CE1 3.72Å; Y134-Y169 HydrophobicContact CG-CE1 4.42Å; Y134-S191 VanDerWaalsContact CE2-OG 3.29Å; Y134-S191 WeakPolarHBondContact CE2-OG 3.36Å; Y134-S191 PolarHBondContact OH-OG 3.44Å
135	N	92.7	Very high	90	Very high	25 Å²	25	29.5 Å²	29.5	13%	0.134	15%	0.147	C	C	.	.	H	α-helix	trans	-64.4	-41.2	177.5	-65.8	-17.7	0	0	0	111.9	F113 E116 G131 A132 G137 S138 V139	F113-N135 HydrophobicContact CB-CB 4.29Å; F113-N135 HydrophobicContact CD1-CB 3.46Å; F113-N135 VanDerWaalsContact CD1-CB 3.46Å; F113-N135 HydrophobicContact CD2-CB 3.96Å; F113-N135 HydrophobicContact CE1-CB 3.53Å; F113-N135 HydrophobicContact CE2-CB 4.04Å; F113-N135 HydrophobicContact CG-CB 3.66Å; F113-N135 HydrophobicContact CZ-CB 3.81Å; E116-N135 PolarHBondContact OE2-ND2 3.02Å; G131-N135 PolarHBondContact O-N 2.91Å; G131-N135 PolarHBondContact O-ND2 2.86Å; A132-N135 PolarHBondContact O-N 3.09Å; N135-G137 PolarHBondContact O-N 3.13Å; N135-S138 WeakPolarHBondContact O-CB 3.49Å; N135-S138 PolarHBondContact O-N 2.85Å; N135-V139 PolarHBondContact O-N 3.31Å
136	L	96	Very high	89	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59.2	-44.8	170.8	-77.4	163.9	0	0	0	111.7	F113 L117 A132 S138 V139 Y140 Y168	F113-L136 HydrophobicContact CB-CD2 3.78Å; F113-L136 HydrophobicContact CB-CG 3.68Å; L117-L136 HydrophobicContact CB-CD1 4.39Å; L117-L136 HydrophobicContact CD2-CD1 3.59Å; A132-L136 WeakPolarHBondContact O-CB 3.36Å; A132-L136 WeakPolarHBondContact O-CG 3.36Å; A132-L136 PolarHBondContact O-N 2.88Å; L136-S138 VanDerWaalsContact C-N 3.33Å; L136-S138 PolarHBondContact O-N 3.02Å; L136-V139 WeakPolarHBondContact O-CG1 3.24Å; L136-Y140 HydrophobicContact CD2-CE2 4.29Å; L136-Y140 WeakPolarHBondContact O-CB 3.41Å; L136-Y140 VanDerWaalsContact O-CD2 3.28Å; L136-Y140 WeakPolarHBondContact O-CD2 3.48Å; L136-Y140 PolarHBondContact O-N 3.21Å; L136-Y140 VanDerWaalsContact O-N 3.1Å; L136-Y168 HydrophobicContact CB-CD1 3.84Å; L136-Y168 HydrophobicContact CB-CD2 3.9Å; L136-Y168 HydrophobicContact CB-CE1 4.2Å; L136-Y168 HydrophobicContact CB-CE2 4.29Å; L136-Y168 HydrophobicContact CB-CG 3.68Å; L136-Y168 HydrophobicContact CD1-CD1 3.94Å; L136-Y168 HydrophobicContact CD1-CE1 3.71Å; L136-Y168 HydrophobicContact CG-CD1 4.48Å; L136-Y168 HydrophobicContact CG-CE1 4.44Å
137	G	93.1	Very high	87.4	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-56.4	-46.6	172.8	0	0	0	0	0	112.7	L133 Y134 N135 Q141 A165	L133-G137 PolarHBondContact O-N 3.49Å; Y134-G137 PolarHBondContact O-N 2.89Å; N135-G137 PolarHBondContact O-N 3.13Å; G137-Q141 WeakPolarHBondContact O-CB 3.36Å; G137-Q141 PolarHBondContact O-N 2.99Å; G137-A165 WeakPolarHBondContact O-CB 3.41Å
138	S	90.7	Very high	85.6	Confident	31 Å²	31	31 Å²	31	22%	0.217	16%	0.158	C	C	.	.	H	α-helix	trans	-58.6	-53	178.5	-175.8	0	0	0	0	112.8	Q101 Y134 N135 L136 Y140 Q141 A142 Y169	Q101-S138 PolarHBondContact NE2-OG 3.27Å; Y134-S138 PolarHBondContact O-N 2.86Å; N135-S138 WeakPolarHBondContact O-CB 3.49Å; N135-S138 PolarHBondContact O-N 2.85Å; L136-S138 VanDerWaalsContact C-N 3.33Å; L136-S138 PolarHBondContact O-N 3.02Å; S138-Y140 PolarHBondContact O-N 3.32Å; S138-Q141 PolarHBondContact O-N 3.34Å; S138-A142 WeakPolarHBondContact O-CB 3.4Å; S138-A142 PolarHBondContact O-N 3.09Å; S138-Y169 VanDerWaalsContact CA-OH 3.3Å; S138-Y169 WeakPolarHBondContact CA-OH 3.48Å; S138-Y169 PolarHBondContact N-OH 3.42Å
139	V	91.5	Very high	83.5	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-68	-36.2	-177.7	70.7	0	0	0	0	112.3	Q101 Y106 A109 I110 F113 N135 L136 A142 K143	Q101-V139 HydrophobicContact CB-CG2 4.45Å; Q101-V139 HydrophobicContact CG-CG2 4.33Å; Y106-V139 HydrophobicContact CD1-CG2 4.06Å; A109-V139 HydrophobicContact CB-CG2 3.75Å; I110-V139 HydrophobicContact CD1-CG1 4.44Å; I110-V139 HydrophobicContact CG1-CB 4.43Å; I110-V139 HydrophobicContact CG1-CG1 3.48Å; I110-V139 VanDerWaalsContact CG1-CG1 3.48Å; I110-V139 HydrophobicContact CG1-CG2 4.04Å; F113-V139 HydrophobicContact CD2-CB 4.2Å; F113-V139 HydrophobicContact CD2-CG1 3.88Å; F113-V139 HydrophobicContact CE2-CB 4.02Å; F113-V139 HydrophobicContact CE2-CG1 4.22Å; N135-V139 PolarHBondContact O-N 3.31Å; L136-V139 WeakPolarHBondContact O-CG1 3.24Å; V139-A142 PolarHBondContact O-N 3.45Å; V139-K143 VanDerWaalsContact O-CB 3.31Å; V139-K143 WeakPolarHBondContact O-CB 3.22Å; V139-K143 PolarHBondContact O-N 3.47Å
140	Y	94.4	Very high	81	Confident	26 Å²	26	37.3 Å²	37.3	10%	0.102	19%	0.193	C	C	.	.	H	α-helix	trans	-69.4	-35.4	175.4	-86.3	-71.4	0	0	0	112.1	I110 L136 S138 G144 A161 K164 Y168	I110-Y140 HydrophobicContact CD1-CD1 4.07Å; I110-Y140 HydrophobicContact CD1-CD2 4.43Å; I110-Y140 HydrophobicContact CD1-CE1 3.66Å; I110-Y140 HydrophobicContact CD1-CE2 4.04Å; I110-Y140 HydrophobicContact CD1-CG 4.45Å; I110-Y140 HydrophobicContact CG1-CD2 4.32Å; I110-Y140 HydrophobicContact CG1-CE1 4.44Å; I110-Y140 HydrophobicContact CG1-CE2 3.91Å; I110-Y140 HydrophobicContact CG2-CE2 4.09Å; L136-Y140 HydrophobicContact CD2-CE2 4.29Å; L136-Y140 WeakPolarHBondContact O-CB 3.41Å; L136-Y140 VanDerWaalsContact O-CD2 3.28Å; L136-Y140 WeakPolarHBondContact O-CD2 3.48Å; L136-Y140 PolarHBondContact O-N 3.21Å; L136-Y140 VanDerWaalsContact O-N 3.1Å; S138-Y140 PolarHBondContact O-N 3.32Å; Y140-G144 PolarHBondContact O-N 2.68Å; Y140-A161 HydrophobicContact CD1-CB 4.32Å; Y140-K164 HydrophobicContact CD1-CB 3.87Å; Y140-K164 HydrophobicContact CD1-CD 3.9Å; Y140-K164 HydrophobicContact CD2-CB 4.29Å; Y140-K164 HydrophobicContact CE1-CB 4.2Å; Y140-K164 HydrophobicContact CE1-CD 3.34Å; Y140-K164 HydrophobicContact CE1-CG 4.41Å; Y140-K164 HydrophobicContact CE2-CD 4.12Å; Y140-K164 HydrophobicContact CG-CB 3.92Å; Y140-K164 HydrophobicContact CG-CD 4.48Å; Y140-K164 VanDerWaalsContact CZ-CD 3.47Å; Y140-K164 PolarHBondContact OH-NZ 3.41Å; Y140-Y168 AromaticContact CD2-CD2 3.75Å; Y140-Y168 HydrophobicContact CD2-CD2 3.75Å; Y140-Y168 AromaticContact CD2-CE2 3.56Å; Y140-Y168 HydrophobicContact CD2-CE2 3.56Å; Y140-Y168 HydrophobicContact CE2-CD2 4.09Å; Y140-Y168 AromaticContact CE2-CE2 3.4Å; Y140-Y168 HydrophobicContact CE2-CE2 3.4Å
141	Q	88.5	Confident	78.9	Confident	19 Å²	19	41.5 Å²	41.5	9%	0.089	22%	0.222	C	C	.	.	H	α-helix	trans	-68.2	-41.3	172.8	-174.3	178.2	95.7	0	0	111.5	G137 S138 G144 K145 A165 L198	G137-Q141 WeakPolarHBondContact O-CB 3.36Å; G137-Q141 PolarHBondContact O-N 2.99Å; S138-Q141 PolarHBondContact O-N 3.34Å; Q141-G144 PolarHBondContact O-N 3.38Å; Q141-K145 HydrophobicContact CG-CD 4.25Å; Q141-K145 WeakPolarHBondContact O-CG 3.42Å; Q141-K145 PolarHBondContact O-N 3.06Å; Q141-A165 HydrophobicContact CB-CB 3.96Å; Q141-L198 HydrophobicContact CG-CD1 4.23Å
142	A	86.7	Confident	77.1	Confident	20 Å²	20	42.1 Å²	42.1	17%	0.165	23%	0.229	C	C	.	.	H	α-helix	trans	-62.6	-44.5	174.6	0	0	0	0	0	111.9	Y106 S138 V139 G144 K145 Q146	Y106-A142 HydrophobicContact CD1-CB 4.19Å; Y106-A142 HydrophobicContact CE1-CB 3.75Å; S138-A142 WeakPolarHBondContact O-CB 3.4Å; S138-A142 PolarHBondContact O-N 3.09Å; V139-A142 PolarHBondContact O-N 3.45Å; A142-G144 VanDerWaalsContact C-N 3.33Å; A142-G144 PolarHBondContact O-N 3.43Å; A142-K145 PolarHBondContact O-N 2.97Å; A142-Q146 PolarHBondContact O-N 3.01Å
143	K	87.7	Confident	75.2	Confident	46 Å²	46	49.8 Å²	49.8	20%	0.2	26%	0.264	C	S	.	.	H	α-helix	trans	-62.4	-37.5	174.5	-174	167.6	174.8	160.9	0	112.4	Y106 D107 I110 V139 Q146	Y106-K143 HydrophobicContact CD2-CB 3.98Å; Y106-K143 HydrophobicContact CD2-CG 4.17Å; Y106-K143 HydrophobicContact CG-CB 3.93Å; Y106-K143 HydrophobicContact CG-CG 4.4Å; D107-K143 IonicContact OD1-NZ 3.84Å; D107-K143 PolarHBondContact OD1-NZ 2.93Å; D107-K143 IonicContact OD2-NZ 2.74Å; D107-K143 PolarHBondContact OD2-NZ 3.42Å; I110-K143 HydrophobicContact CD1-CD 4.15Å; V139-K143 VanDerWaalsContact O-CB 3.31Å; V139-K143 WeakPolarHBondContact O-CB 3.22Å; V139-K143 PolarHBondContact O-N 3.47Å; K143-Q146 WeakPolarHBondContact O-CB 3.48Å; K143-Q146 PolarHBondContact O-N 3Å
144	G	81.8	Confident	73.6	Confident	7 Å²	7	54.6 Å²	54.6	7%	0.072	29%	0.285	C	S	.	.	H	α-helix	trans	-61.5	-48.5	172.8	0	0	0	0	0	112.2	Y140 Q141 A142 Q146 W147	Y140-G144 PolarHBondContact O-N 2.68Å; Q141-G144 PolarHBondContact O-N 3.38Å; A142-G144 VanDerWaalsContact C-N 3.33Å; A142-G144 PolarHBondContact O-N 3.43Å; G144-Q146 PolarHBondContact O-N 3.35Å; G144-Q146 VanDerWaalsContact O-N 3.16Å; G144-W147 PolarHBondContact O-N 3.14Å; G144-W147 VanDerWaalsContact O-N 3.15Å
145	K	70.9	Confident	72.6	Confident	54 Å²	54	54.3 Å²	54.3	24%	0.235	29%	0.289	C	S	.	.	H	α-helix	trans	-65.4	-12.4	179.7	-71.7	171.2	177.8	174	0	114.9	Q141 A142 W147 L198	Q141-K145 HydrophobicContact CG-CD 4.25Å; Q141-K145 WeakPolarHBondContact O-CG 3.42Å; Q141-K145 PolarHBondContact O-N 3.06Å; A142-K145 PolarHBondContact O-N 2.97Å; K145-W147 PolarHBondContact O-N 3.45Å; K145-L198 HydrophobicContact CD-CD1 4.48Å; K145-L198 HydrophobicContact CG-CD1 4.47Å
146	Q	69.5	Low	72.1	Confident	118 Å²	118	57 Å²	57	55%	0.551	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-29.6	171.4	-172.6	177.4	5.8	0	0	112.3	Y106 A142 K143 G144 L148	Y106-Q146 HydrophobicContact CE2-CB 4.26Å; Y106-Q146 HydrophobicContact CE2-CG 4.49Å; A142-Q146 PolarHBondContact O-N 3.01Å; K143-Q146 WeakPolarHBondContact O-CB 3.48Å; K143-Q146 PolarHBondContact O-N 3Å; G144-Q146 PolarHBondContact O-N 3.35Å; G144-Q146 VanDerWaalsContact O-N 3.16Å; Q146-L148 PolarHBondContact O-N 3.31Å
147	W	58	Low	71.6	Confident	110 Å²	110	61.1 Å²	61.1	42%	0.417	34%	0.337	S	S	.	.			trans	-94.9	67.6	-174.1	-59	86.7	0	0	0	111.5	G144 K145 P149 P155 A158	G144-W147 PolarHBondContact O-N 3.14Å; G144-W147 VanDerWaalsContact O-N 3.15Å; K145-W147 PolarHBondContact O-N 3.45Å; W147-P149 WeakPolarHBondContact O-CD 3.12Å; W147-P155 HydrophobicContact CB-CG 4.08Å; W147-P155 HydrophobicContact CE3-CB 4.08Å; W147-P155 HydrophobicContact CE3-CG 4.09Å; W147-A158 HydrophobicContact CB-CB 3.6Å; W147-A158 HydrophobicContact CG-CB 3.99Å
148	L	52.6	Low	71.1	Confident	81 Å²	81	61.3 Å²	61.3	42%	0.424	34%	0.338	S	S	.	.			trans	-80.3	119.5	169.4	-140.6	74.2	0	0	0	108.8	Q146 Q803	Q146-L148 PolarHBondContact O-N 3.31Å; L148-Q803 HydrophobicContact CD1-CG 4.05Å; L148-Q803 HydrophobicContact CD2-CG 4.22Å; L148-Q803 HydrophobicContact CG-CG 4.47Å
149	P	44.3	Very low	70.9	Confident	25 Å²	25	61.7 Å²	61.7	16%	0.162	34%	0.339	C	S	.	.			trans	-93	117.7	-171.3	33.2	-32.1	0	0	0	113.2	W147 S151 G152 E153	W147-P149 WeakPolarHBondContact O-CD 3.12Å; P149-S151 PolarHBondContact O-N 3.06Å; P149-S151 VanDerWaalsContact O-N 3.09Å; P149-G152 PolarHBondContact O-N 3.17Å; P149-G152 VanDerWaalsContact O-N 3.07Å; P149-E153 WeakPolarHBondContact CB-O 3.32Å; P149-E153 WeakPolarHBondContact CG-O 3.13Å
150	D	41.9	Very low	70.9	Confident	134 Å²	134	67.3 Å²	67.3	72%	0.717	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-27.6	164	-66.8	-19.8	0	0	0	112.1	N806	D150-N806 PolarHBondContact O-ND2 3.35Å
151	S	45.2	Very low	70.8	Confident	96 Å²	96	66.5 Å²	66.5	67%	0.671	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-5.9	-179.1	55.2	0	0	0	0	115.2	P149 E153	P149-S151 PolarHBondContact O-N 3.06Å; P149-S151 VanDerWaalsContact O-N 3.09Å; S151-E153 PolarHBondContact O-N 3.31Å; S151-E153 VanDerWaalsContact O-N 3.11Å
152	G	51.5	Low	70.8	Confident	43 Å²	43	65.9 Å²	65.9	44%	0.443	36%	0.359	S	S	.	.	S	Bend	trans	75	-17.2	179.8	0	0	0	0	0	116.7	P149	P149-G152 PolarHBondContact O-N 3.17Å; P149-G152 VanDerWaalsContact O-N 3.07Å
153	E	53	Low	71.2	Confident	160 Å²	160	71.2 Å²	71.2	75%	0.748	38%	0.375	S	S	*	.	S	Bend	trans	-87.7	123.6	169.1	-70.4	-168.7	157.6	0	0	111	P149 S151 P155	P149-E153 WeakPolarHBondContact CB-O 3.32Å; P149-E153 WeakPolarHBondContact CG-O 3.13Å; S151-E153 PolarHBondContact O-N 3.31Å; S151-E153 VanDerWaalsContact O-N 3.11Å; E153-P155 WeakPolarHBondContact O-CD 3.35Å
154	F	62	Low	71.6	Confident	104 Å²	104	72.5 Å²	72.5	46%	0.456	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-61.9	123.3	173.2	-82.1	-77.7	0	0	0	111	V159	F154-V159 HydrophobicContact CB-CG2 3.8Å
155	P	73.4	Confident	72.2	Confident	41 Å²	41	72.1 Å²	72.1	27%	0.266	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-58.3	143.4	179.2	-28.8	38.9	0	0	0	112.2	W147 E153 D157 A158 V159	W147-P155 HydrophobicContact CB-CG 4.08Å; W147-P155 HydrophobicContact CE3-CB 4.08Å; W147-P155 HydrophobicContact CE3-CG 4.09Å; E153-P155 WeakPolarHBondContact O-CD 3.35Å; P155-D157 PolarHBondContact O-N 3.03Å; P155-D157 VanDerWaalsContact O-N 3.11Å; P155-A158 HydrophobicContact CB-CB 4.39Å; P155-A158 WeakPolarHBondContact O-CA 3.49Å; P155-A158 WeakPolarHBondContact O-CB 3.47Å; P155-A158 PolarHBondContact O-N 3.47Å; P155-V159 PolarHBondContact O-N 2.92Å
156	A	82	Confident	73.4	Confident	81 Å²	81	70 Å²	70	67%	0.669	37%	0.369	S	S	*	.	H	α-helix	trans	-56	-35.5	-174.2	0	0	0	0	0	113.3	K160	A156-K160 VanDerWaalsContact O-CB 3.26Å; A156-K160 WeakPolarHBondContact O-CB 3.44Å; A156-K160 PolarHBondContact O-N 3.18Å
157	D	84.3	Confident	74.8	Confident	88 Å²	88	69.7 Å²	69.7	47%	0.471	37%	0.368	S	S	.	.	H	α-helix	trans	-72.1	-26.8	175.4	-72.4	-59.9	0	0	0	113.6	P155 K160 A161	P155-D157 PolarHBondContact O-N 3.03Å; P155-D157 VanDerWaalsContact O-N 3.11Å; D157-K160 IonicContact OD1-NZ 2.86Å; D157-K160 PolarHBondContact OD1-NZ 2.91Å; D157-A161 WeakPolarHBondContact O-CB 3.38Å; D157-A161 PolarHBondContact O-N 3.19Å
158	A	83.3	Confident	76.7	Confident	3 Å²	3	66.6 Å²	66.6	3%	0.025	36%	0.356	C	S	.	.	H	α-helix	trans	-66.2	-49.2	172.3	0	0	0	0	0	110.6	W147 P155 K160 A161 Q162	W147-A158 HydrophobicContact CB-CB 3.6Å; W147-A158 HydrophobicContact CG-CB 3.99Å; P155-A158 HydrophobicContact CB-CB 4.39Å; P155-A158 WeakPolarHBondContact O-CA 3.49Å; P155-A158 WeakPolarHBondContact O-CB 3.47Å; P155-A158 PolarHBondContact O-N 3.47Å; A158-K160 VanDerWaalsContact C-N 3.29Å; A158-K160 PolarHBondContact O-N 3.01Å; A158-A161 PolarHBondContact O-N 3.49Å; A158-Q162 WeakPolarHBondContact O-CB 3.34Å; A158-Q162 PolarHBondContact O-N 3.41Å
159	V	86.8	Confident	78.8	Confident	39 Å²	39	63 Å²	63	24%	0.236	34%	0.337	C	S	.	.	H	α-helix	trans	-64.9	-34.9	177.3	-168.1	0	0	0	0	111.2	F154 P155 Q162 R163 L199	F154-V159 HydrophobicContact CB-CG2 3.8Å; P155-V159 PolarHBondContact O-N 2.92Å; V159-Q162 PolarHBondContact O-N 3.02Å; V159-R163 PolarHBondContact O-N 2.89Å; V159-L199 HydrophobicContact CG1-CD2 3.77Å
160	K	91.6	Very high	81.3	Confident	119 Å²	119	66.6 Å²	66.6	52%	0.517	35%	0.35	S	S	.	.	H	α-helix	trans	-67.4	-43	174.1	-179.5	-177.9	171.4	-169.5	0	112.5	A156 D157 A158 K164	A156-K160 VanDerWaalsContact O-CB 3.26Å; A156-K160 WeakPolarHBondContact O-CB 3.44Å; A156-K160 PolarHBondContact O-N 3.18Å; D157-K160 IonicContact OD1-NZ 2.86Å; D157-K160 PolarHBondContact OD1-NZ 2.91Å; A158-K160 VanDerWaalsContact C-N 3.29Å; A158-K160 PolarHBondContact O-N 3.01Å; K160-K164 PolarHBondContact O-N 3.13Å; K160-K164 VanDerWaalsContact O-N 3.11Å
161	A	91.5	Very high	84	Confident	8 Å²	8	64.1 Å²	64.1	7%	0.066	34%	0.336	C	S	.	.	H	α-helix	trans	-64	-42.2	172.8	0	0	0	0	0	111.1	Y140 D157 A158 R163 K164 A165	Y140-A161 HydrophobicContact CD1-CB 4.32Å; D157-A161 WeakPolarHBondContact O-CB 3.38Å; D157-A161 PolarHBondContact O-N 3.19Å; A158-A161 PolarHBondContact O-N 3.49Å; A161-R163 PolarHBondContact O-N 3.16Å; A161-K164 PolarHBondContact O-N 3.45Å; A161-A165 PolarHBondContact O-N 2.94Å
162	Q	89.3	Confident	86.3	Confident	7 Å²	7	59.8 Å²	59.8	3%	0.033	31%	0.306	C	S	.	.	H	α-helix	trans	-69.1	-32.8	-179.6	-163.1	58	72.7	0	0	113.2	A158 V159 A165 A166 A195 L198 L199	A158-Q162 WeakPolarHBondContact O-CB 3.34Å; A158-Q162 PolarHBondContact O-N 3.41Å; V159-Q162 PolarHBondContact O-N 3.02Å; Q162-A165 PolarHBondContact O-N 3.24Å; Q162-A166 PolarHBondContact O-N 2.95Å; Q162-A195 VanDerWaalsContact NE2-CB 3.33Å; Q162-L198 HydrophobicContact CG-CB 3.75Å; Q162-L199 HydrophobicContact CB-CD2 3.89Å; Q162-L199 HydrophobicContact CB-CG 4.29Å; Q162-L199 HydrophobicContact CG-CD2 4Å; Q162-L199 HydrophobicContact CG-CG 3.85Å
163	R	95	Very high	88.5	Confident	131 Å²	131	58.1 Å²	58.1	49%	0.494	29%	0.286	S	S	.	.	H	α-helix	trans	-63.2	-49	167.7	-87.1	-170.6	-77.8	-94.9	-1	112.2	V159 A161 A165 A166 E167 L199	V159-R163 PolarHBondContact O-N 2.89Å; A161-R163 PolarHBondContact O-N 3.16Å; R163-A165 VanDerWaalsContact C-N 3.26Å; R163-A165 PolarHBondContact O-N 3.1Å; R163-A166 WeakPolarHBondContact O-CB 3.14Å; R163-A166 PolarHBondContact O-N 3.2Å; R163-A166 VanDerWaalsContact O-N 3.08Å; R163-E167 WeakPolarHBondContact O-CG 3.44Å; R163-E167 PolarHBondContact O-N 3.01Å; R163-L199 HydrophobicContact CG-CD1 4.05Å; R163-L199 HydrophobicContact CG-CD2 3.93Å
164	K	96.1	Very high	90.6	Very high	73 Å²	73	55.6 Å²	55.6	32%	0.317	28%	0.275	S	S	.	.	H	α-helix	trans	-56	-40.6	174.5	-82.5	-165.7	168.7	-156.4	0	112.3	Y140 K160 A161 A166 E167 Y168	Y140-K164 HydrophobicContact CD1-CB 3.87Å; Y140-K164 HydrophobicContact CD1-CD 3.9Å; Y140-K164 HydrophobicContact CD2-CB 4.29Å; Y140-K164 HydrophobicContact CE1-CB 4.2Å; Y140-K164 HydrophobicContact CE1-CD 3.34Å; Y140-K164 HydrophobicContact CE1-CG 4.41Å; Y140-K164 HydrophobicContact CE2-CD 4.12Å; Y140-K164 HydrophobicContact CG-CB 3.92Å; Y140-K164 HydrophobicContact CG-CD 4.48Å; Y140-K164 VanDerWaalsContact CZ-CD 3.47Å; Y140-K164 PolarHBondContact OH-NZ 3.41Å; K160-K164 PolarHBondContact O-N 3.13Å; K160-K164 VanDerWaalsContact O-N 3.11Å; A161-K164 PolarHBondContact O-N 3.45Å; K164-A166 PolarHBondContact O-N 3.31Å; K164-E167 WeakPolarHBondContact O-CB 3.42Å; K164-E167 PolarHBondContact O-N 3.43Å; K164-Y168 HydrophobicContact CB-CD2 4.45Å; K164-Y168 HydrophobicContact CB-CE2 4.31Å; K164-Y168 WeakPolarHBondContact O-CD2 3.32Å; K164-Y168 PolarHBondContact O-N 2.91Å
165	A	94.3	Very high	92.1	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-59.4	-45.4	175.9	0	0	0	0	0	112.1	G137 Q141 A161 Q162 R163 Y168 Y169	G137-A165 WeakPolarHBondContact O-CB 3.41Å; Q141-A165 HydrophobicContact CB-CB 3.96Å; A161-A165 PolarHBondContact O-N 2.94Å; Q162-A165 PolarHBondContact O-N 3.24Å; R163-A165 VanDerWaalsContact C-N 3.26Å; R163-A165 PolarHBondContact O-N 3.1Å; A165-Y168 PolarHBondContact O-N 3.42Å; A165-Y169 HydrophobicContact CB-CD2 4.48Å; A165-Y169 HydrophobicContact CB-CE2 4.3Å; A165-Y169 WeakPolarHBondContact O-CB 3.48Å; A165-Y169 WeakPolarHBondContact O-CD2 3.43Å; A165-Y169 VanDerWaalsContact O-CG 3.31Å; A165-Y169 PolarHBondContact O-N 2.86Å
166	A	96.4	Very high	93.1	Very high	8 Å²	8	50.4 Å²	50.4	7%	0.066	25%	0.25	C	C	.	.	H	α-helix	trans	-64.2	-38.2	175.5	0	0	0	0	0	112.6	Q162 R163 K164 K170 L192 A195 Y196 L199	Q162-A166 PolarHBondContact O-N 2.95Å; R163-A166 WeakPolarHBondContact O-CB 3.14Å; R163-A166 PolarHBondContact O-N 3.2Å; R163-A166 VanDerWaalsContact O-N 3.08Å; K164-A166 PolarHBondContact O-N 3.31Å; A166-K170 VanDerWaalsContact O-CB 3.25Å; A166-K170 WeakPolarHBondContact O-CB 3.21Å; A166-K170 PolarHBondContact O-N 2.94Å; A166-L192 HydrophobicContact CB-CD1 3.93Å; A166-L192 WeakPolarHBondContact O-CD1 3.48Å; A166-A195 HydrophobicContact CB-CB 4.08Å; A166-Y196 HydrophobicContact CB-CE1 4.29Å; A166-L199 HydrophobicContact CB-CD1 4.41Å
167	E	97.7	Very high	93.8	Very high	112 Å²	112	52.1 Å²	52.1	52%	0.523	24%	0.239	S	C	.	.	H	α-helix	trans	-59.8	-52.5	174.2	-69.6	162	-172.9	0	0	111.5	R163 K164 K170 M171	R163-E167 WeakPolarHBondContact O-CG 3.44Å; R163-E167 PolarHBondContact O-N 3.01Å; K164-E167 WeakPolarHBondContact O-CB 3.42Å; K164-E167 PolarHBondContact O-N 3.43Å; E167-K170 PolarHBondContact O-N 2.81Å; E167-M171 WeakPolarHBondContact O-CG 3.3Å; E167-M171 PolarHBondContact O-N 3.13Å
168	Y	97.8	Very high	94.3	Very high	45 Å²	45	53.9 Å²	53.9	18%	0.176	25%	0.252	C	S	.	.	H	α-helix	trans	-65.9	-42.1	179.4	-72.1	-64.7	0	0	0	113	L133 L136 Y140 K164 A165 K170 M171 G172	L133-Y168 HydrophobicContact CD2-CD1 3.97Å; L136-Y168 HydrophobicContact CB-CD1 3.84Å; L136-Y168 HydrophobicContact CB-CD2 3.9Å; L136-Y168 HydrophobicContact CB-CE1 4.2Å; L136-Y168 HydrophobicContact CB-CE2 4.29Å; L136-Y168 HydrophobicContact CB-CG 3.68Å; L136-Y168 HydrophobicContact CD1-CD1 3.94Å; L136-Y168 HydrophobicContact CD1-CE1 3.71Å; L136-Y168 HydrophobicContact CG-CD1 4.48Å; L136-Y168 HydrophobicContact CG-CE1 4.44Å; Y140-Y168 AromaticContact CD2-CD2 3.75Å; Y140-Y168 HydrophobicContact CD2-CD2 3.75Å; Y140-Y168 AromaticContact CD2-CE2 3.56Å; Y140-Y168 HydrophobicContact CD2-CE2 3.56Å; Y140-Y168 HydrophobicContact CE2-CD2 4.09Å; Y140-Y168 AromaticContact CE2-CE2 3.4Å; Y140-Y168 HydrophobicContact CE2-CE2 3.4Å; K164-Y168 HydrophobicContact CB-CD2 4.45Å; K164-Y168 HydrophobicContact CB-CE2 4.31Å; K164-Y168 WeakPolarHBondContact O-CD2 3.32Å; K164-Y168 PolarHBondContact O-N 2.91Å; A165-Y168 PolarHBondContact O-N 3.42Å; Y168-K170 VanDerWaalsContact C-N 3.3Å; Y168-K170 PolarHBondContact O-N 3.31Å; Y168-M171 PolarHBondContact O-N 3.28Å; Y168-G172 PolarHBondContact O-N 3.4Å
169	Y	96.9	Very high	94.7	Very high	5 Å²	5	57.5 Å²	57.5	2%	0.02	27%	0.271	C	S	.	.	H	α-helix	trans	-62.3	-37	174.5	-71.7	-45	0	0	0	112.2	Y134 S138 A165 G172 L173 S191 A195	Y134-Y169 AromaticContact CD2-CD1 3.93Å; Y134-Y169 HydrophobicContact CD2-CD1 3.93Å; Y134-Y169 AromaticContact CD2-CE1 3.83Å; Y134-Y169 HydrophobicContact CD2-CE1 3.83Å; Y134-Y169 HydrophobicContact CE2-CD1 4.12Å; Y134-Y169 AromaticContact CE2-CE1 3.72Å; Y134-Y169 HydrophobicContact CE2-CE1 3.72Å; Y134-Y169 HydrophobicContact CG-CE1 4.42Å; S138-Y169 VanDerWaalsContact CA-OH 3.3Å; S138-Y169 WeakPolarHBondContact CA-OH 3.48Å; S138-Y169 PolarHBondContact N-OH 3.42Å; A165-Y169 HydrophobicContact CB-CD2 4.48Å; A165-Y169 HydrophobicContact CB-CE2 4.3Å; A165-Y169 WeakPolarHBondContact O-CB 3.48Å; A165-Y169 WeakPolarHBondContact O-CD2 3.43Å; A165-Y169 VanDerWaalsContact O-CG 3.31Å; A165-Y169 PolarHBondContact O-N 2.86Å; Y169-G172 PolarHBondContact O-N 2.7Å; Y169-L173 VanDerWaalsContact O-CB 3.24Å; Y169-L173 WeakPolarHBondContact O-CB 3.42Å; Y169-L173 PolarHBondContact O-N 3.41Å; Y169-S191 WeakPolarHBondContact CE2-O 3.4Å; Y169-S191 VanDerWaalsContact CZ-CB 3.46Å; Y169-A195 HydrophobicContact CD2-CB 4.12Å; Y169-A195 HydrophobicContact CE2-CB 4.33Å
170	K	97.8	Very high	95	Very high	101 Å²	101	58.5 Å²	58.5	44%	0.439	29%	0.289	S	S	.	.	H	α-helix	trans	-67.6	-43	175.6	-176.7	176.9	173.6	-179.3	0	112	A166 E167 Y168 G172 L173 E174 L192	A166-K170 VanDerWaalsContact O-CB 3.25Å; A166-K170 WeakPolarHBondContact O-CB 3.21Å; A166-K170 PolarHBondContact O-N 2.94Å; E167-K170 PolarHBondContact O-N 2.81Å; Y168-K170 VanDerWaalsContact C-N 3.3Å; Y168-K170 PolarHBondContact O-N 3.31Å; K170-G172 VanDerWaalsContact C-N 3.35Å; K170-G172 PolarHBondContact O-N 3.15Å; K170-L173 WeakPolarHBondContact O-CB 3.45Å; K170-L173 PolarHBondContact O-N 2.95Å; K170-E174 WeakPolarHBondContact CE-OE1 3.44Å; K170-E174 WeakPolarHBondContact O-CG 3.36Å; K170-E174 PolarHBondContact O-N 3.36Å; K170-L192 HydrophobicContact CB-CD1 4.43Å; K170-L192 HydrophobicContact CB-CD2 4.39Å
171	M	97.6	Very high	94.9	Very high	83 Å²	83	54.5 Å²	54.5	41%	0.409	27%	0.274	S	S	.	.	H	α-helix	trans	-61.2	-42.9	174.1	-69.3	176.8	68.7	0	0	111.9	L133 E167 Y168 E174 L175	L133-M171 HydrophobicContact CD1-CB 4.14Å; L133-M171 HydrophobicContact CD2-CB 4.07Å; L133-M171 HydrophobicContact CD2-CE 4.15Å; L133-M171 HydrophobicContact CD2-SD 4.48Å; E167-M171 WeakPolarHBondContact O-CG 3.3Å; E167-M171 PolarHBondContact O-N 3.13Å; Y168-M171 PolarHBondContact O-N 3.28Å; M171-E174 PolarHBondContact O-N 2.88Å; M171-L175 PolarHBondContact O-N 3.43Å
172	G	94.8	Very high	94.9	Very high	4 Å²	4	56.7 Å²	56.7	4%	0.041	28%	0.28	C	S	.	.	H	α-helix	trans	-62.6	-43	174.2	0	0	0	0	0	112.4	Y168 Y169 K170 E174 L175 V176	Y168-G172 PolarHBondContact O-N 3.4Å; Y169-G172 PolarHBondContact O-N 2.7Å; K170-G172 VanDerWaalsContact C-N 3.35Å; K170-G172 PolarHBondContact O-N 3.15Å; G172-E174 PolarHBondContact O-N 3.23Å; G172-L175 PolarHBondContact O-N 3.05Å; G172-V176 WeakPolarHBondContact O-CG2 3.28Å; G172-V176 PolarHBondContact O-N 3.42Å
173	L	96.3	Very high	94.8	Very high	8 Å²	8	59 Å²	59	4%	0.042	30%	0.296	C	S	.	.	H	α-helix	trans	-59.7	-44	176.7	176.8	58.9	0	0	0	112.5	Y169 K170 L175 V176 R177 E185 A188 L189 L192	Y169-L173 VanDerWaalsContact O-CB 3.24Å; Y169-L173 WeakPolarHBondContact O-CB 3.42Å; Y169-L173 PolarHBondContact O-N 3.41Å; K170-L173 WeakPolarHBondContact O-CB 3.45Å; K170-L173 PolarHBondContact O-N 2.95Å; L173-L175 VanDerWaalsContact C-N 3.3Å; L173-L175 PolarHBondContact O-N 3.16Å; L173-V176 HydrophobicContact CD1-CG2 4.49Å; L173-V176 WeakPolarHBondContact O-CG2 3.15Å; L173-R177 HydrophobicContact CD1-CG 4.47Å; L173-R177 WeakPolarHBondContact O-CB 3.49Å; L173-R177 VanDerWaalsContact O-CG 3.27Å; L173-R177 WeakPolarHBondContact O-CG 3.49Å; L173-R177 PolarHBondContact O-N 3.11Å; L173-E185 HydrophobicContact CD1-CB 4.48Å; L173-E185 HydrophobicContact CD1-CG 3.4Å; L173-E185 VanDerWaalsContact CD1-CG 3.4Å; L173-A188 HydrophobicContact CB-CB 4.07Å; L173-A188 HydrophobicContact CD1-CB 4.12Å; L173-L189 HydrophobicContact CD1-CD1 4.39Å; L173-L189 HydrophobicContact CD1-CD2 4.3Å; L173-L189 HydrophobicContact CD1-CG 3.8Å; L173-L189 HydrophobicContact CD2-CD2 3.72Å; L173-L189 HydrophobicContact CD2-CG 4.09Å; L173-L192 HydrophobicContact CD2-CD2 3.79Å
174	E	97.3	Very high	94.5	Very high	107 Å²	107	53.5 Å²	53.5	50%	0.5	28%	0.278	S	S	.	.	H	α-helix	trans	-63.3	-36.4	176.2	-73.2	172.6	-165.9	0	0	111.5	K170 M171 G172 V178	K170-E174 WeakPolarHBondContact CE-OE1 3.44Å; K170-E174 WeakPolarHBondContact O-CG 3.36Å; K170-E174 PolarHBondContact O-N 3.36Å; M171-E174 PolarHBondContact O-N 2.88Å; G172-E174 PolarHBondContact O-N 3.23Å; E174-V178 WeakPolarHBondContact O-CG2 3.46Å; E174-V178 PolarHBondContact O-N 2.93Å
175	L	94.3	Very high	94.3	Very high	26 Å²	26	50.8 Å²	50.8	14%	0.136	27%	0.266	C	S	.	.	H	α-helix	trans	-75.4	-44.5	178.9	-173.7	55.1	0	0	0	113.7	K126 E129 A130 L133 M171 G172 L173 R177 V178 L179	K126-L175 HydrophobicContact CB-CD1 4.22Å; K126-L175 HydrophobicContact CD-CD1 4.28Å; K126-L175 HydrophobicContact CG-CD1 4.39Å; K126-L175 WeakPolarHBondContact O-CD2 3.25Å; E129-L175 HydrophobicContact CB-CD2 3.84Å; E129-L175 HydrophobicContact CG-CD2 3.53Å; A130-L175 HydrophobicContact CB-CD2 3.99Å; A130-L175 HydrophobicContact CB-CG 4.21Å; L133-L175 HydrophobicContact CD1-CD2 4.32Å; M171-L175 PolarHBondContact O-N 3.43Å; G172-L175 PolarHBondContact O-N 3.05Å; L173-L175 VanDerWaalsContact C-N 3.3Å; L173-L175 PolarHBondContact O-N 3.16Å; L175-R177 PolarHBondContact O-N 3.37Å; L175-V178 WeakPolarHBondContact O-CB 3.38Å; L175-V178 PolarHBondContact O-N 2.98Å; L175-L179 HydrophobicContact CG-CD1 4.48Å; L175-L179 PolarHBondContact O-N 3.31Å
176	V	93.4	Very high	94.1	Very high	10 Å²	10	50.8 Å²	50.8	6%	0.061	27%	0.266	C	S	.	.	H	α-helix	trans	-65	-29	178.2	-61.3	0	0	0	0	112.4	A130 G172 L173 L179 G180 D181 A184 E185	A130-V176 HydrophobicContact CB-CG1 3.79Å; G172-V176 WeakPolarHBondContact O-CG2 3.28Å; G172-V176 PolarHBondContact O-N 3.42Å; L173-V176 HydrophobicContact CD1-CG2 4.49Å; L173-V176 WeakPolarHBondContact O-CG2 3.15Å; V176-L179 CarbonylContact O-C 3.54Å; V176-L179 PolarHBondContact O-N 2.81Å; V176-G180 PolarHBondContact O-N 2.89Å; V176-D181 PolarHBondContact O-N 3.32Å; V176-D181 VanDerWaalsContact O-N 3.16Å; V176-A184 HydrophobicContact CB-CB 4.21Å; V176-A184 HydrophobicContact CG1-CB 3.89Å; V176-E185 HydrophobicContact CG2-CB 4.03Å; V176-E185 HydrophobicContact CG2-CG 4.34Å
177	R	96.2	Very high	93.7	Very high	118 Å²	118	54.4 Å²	54.4	45%	0.445	28%	0.279	S	S	.	.	H	α-helix	trans	-63	-40.2	169.8	-78.4	174.3	167	168.2	0.7	113	L173 L175 L179 G180 E185	L173-R177 HydrophobicContact CD1-CG 4.47Å; L173-R177 WeakPolarHBondContact O-CB 3.49Å; L173-R177 VanDerWaalsContact O-CG 3.27Å; L173-R177 WeakPolarHBondContact O-CG 3.49Å; L173-R177 PolarHBondContact O-N 3.11Å; L175-R177 PolarHBondContact O-N 3.37Å; R177-L179 VanDerWaalsContact C-N 3.31Å; R177-G180 PolarHBondContact O-N 2.91Å; R177-E185 HydrophobicContact CG-CG 3.88Å; R177-E185 IonicContact CZ-OE1 2.7Å; R177-E185 IonicContact NE-OE1 3.32Å; R177-E185 PolarHBondContact NE-OE1 2.74Å; R177-E185 IonicContact NH2-OE1 3.01Å; R177-E185 PolarHBondContact NH2-OE1 2.86Å
178	V	95.9	Very high	93.3	Very high	124 Å²	124	49.3 Å²	49.3	75%	0.752	26%	0.256	S	S	*	.	H	α-helix	trans	-69.5	-31	175	172.7	0	0	0	0	111.6	E174 L175	E174-V178 WeakPolarHBondContact O-CG2 3.46Å; E174-V178 PolarHBondContact O-N 2.93Å; L175-V178 WeakPolarHBondContact O-CB 3.38Å; L175-V178 PolarHBondContact O-N 2.98Å
179	L	92.4	Very high	93.2	Very high	79 Å²	79	47.4 Å²	47.4	41%	0.414	25%	0.249	S	C	.	.	H	α-helix	trans	-78.1	-19.2	174.6	-66.7	173.3	0	0	0	114.1	K126 A130 L175 V176 R177 D181	K126-L179 HydrophobicContact CB-CD1 4.39Å; K126-L179 HydrophobicContact CB-CD2 3.9Å; A130-L179 HydrophobicContact CB-CD1 4.42Å; L175-L179 HydrophobicContact CG-CD1 4.48Å; L175-L179 PolarHBondContact O-N 3.31Å; V176-L179 CarbonylContact O-C 3.54Å; V176-L179 PolarHBondContact O-N 2.81Å; R177-L179 VanDerWaalsContact C-N 3.31Å; L179-D181 VanDerWaalsContact C-N 3.29Å
180	G	92.3	Very high	92.8	Very high	60 Å²	60	48 Å²	48	62%	0.619	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	13.3	-173.8	0	0	0	0	0	114.6	V176 R177 R182	V176-G180 PolarHBondContact O-N 2.89Å; R177-G180 PolarHBondContact O-N 2.91Å; G180-R182 VanDerWaalsContact C-N 3.31Å; G180-R182 PolarHBondContact O-N 2.86Å
181	D	88.6	Confident	92.5	Very high	36 Å²	36	43.9 Å²	43.9	19%	0.193	24%	0.24	C	C	.	.			trans	-78.1	80.8	178.8	-164	-40.6	0	0	0	109.7	R127 V176 L179 P183 A184 E185	R127-D181 IonicContact CZ-OD2 3.82Å; R127-D181 IonicContact NE-OD2 3.67Å; R127-D181 IonicContact NH2-OD2 2.7Å; R127-D181 PolarHBondContact NH2-OD2 3.35Å; R127-D181 VanDerWaalsContact NH2-OD2 3.12Å; V176-D181 PolarHBondContact O-N 3.32Å; V176-D181 VanDerWaalsContact O-N 3.16Å; L179-D181 VanDerWaalsContact C-N 3.29Å; D181-P183 WeakPolarHBondContact OD1-CD 3.27Å; D181-A184 HydrophobicContact CB-CB 3.98Å; D181-A184 PolarHBondContact O-N 3.37Å; D181-A184 WeakPolarHBondContact OD1-CB 3.44Å; D181-A184 PolarHBondContact OD1-N 3.11Å; D181-E185 PolarHBondContact O-N 2.82Å
182	R	92.2	Very high	92.4	Very high	54 Å²	54	40.1 Å²	40.1	20%	0.204	22%	0.221	C	C	.	.	H	α-helix	trans	-61.7	-37.1	-175.7	-164.7	70.6	170.1	144.4	7.7	113.5	G180 E185 G186 I215 E218 F219	G180-R182 VanDerWaalsContact C-N 3.31Å; G180-R182 PolarHBondContact O-N 2.86Å; R182-E185 WeakPolarHBondContact CD-OE2 3.28Å; R182-E185 IonicContact CZ-OE2 2.82Å; R182-E185 IonicContact NE-OE2 2.69Å; R182-E185 IonicContact NH1-OE1 3.32Å; R182-E185 PolarHBondContact NH1-OE1 2.75Å; R182-E185 VanDerWaalsContact NH1-OE1 3.12Å; R182-E185 IonicContact NH1-OE2 3.72Å; R182-E185 PolarHBondContact NH1-OE2 2.73Å; R182-E185 WeakPolarHBondContact O-CB 3.46Å; R182-E185 PolarHBondContact O-N 3.33Å; R182-G186 PolarHBondContact O-N 3.42Å; R182-G186 VanDerWaalsContact O-N 3.08Å; R182-I215 HydrophobicContact CG-CG1 4.43Å; R182-I215 HydrophobicContact CG-CG2 4.47Å; R182-E218 IonicContact CZ-OE1 2.74Å; R182-E218 IonicContact CZ-OE2 3.12Å; R182-E218 VanDerWaalsContact CZ-OE2 3.3Å; R182-E218 IonicContact NE-OE1 3.18Å; R182-E218 IonicContact NE-OE2 2.71Å; R182-E218 PolarHBondContact NE-OE2 3.25Å; R182-E218 VanDerWaalsContact NH2-CD 3.29Å; R182-E218 IonicContact NH2-OE1 2.78Å; R182-E218 PolarHBondContact NH2-OE1 2.77Å; R182-E218 IonicContact NH2-OE2 3.2Å; R182-E218 PolarHBondContact NH2-OE2 3.33Å; R182-F219 HydrophobicContact CB-CE2 3.94Å; R182-F219 HydrophobicContact CB-CZ 4.15Å; R182-F219 HydrophobicContact CG-CE2 3.74Å; R182-F219 HydrophobicContact CG-CZ 4.41Å
183	P	87.7	Confident	92.4	Very high	56 Å²	56	40 Å²	40	36%	0.364	22%	0.219	S	C	.	.	H	α-helix	trans	-61.2	-46.1	169.2	-24.7	35.9	0	0	0	112.7	D181 E185 G186 R187 F219	D181-P183 WeakPolarHBondContact OD1-CD 3.27Å; P183-E185 VanDerWaalsContact C-N 3.33Å; P183-E185 PolarHBondContact O-N 2.98Å; P183-G186 PolarHBondContact O-N 2.96Å; P183-G186 VanDerWaalsContact O-N 3.12Å; P183-R187 PolarHBondContact O-N 3.49Å; P183-R187 VanDerWaalsContact O-N 3.07Å; P183-F219 HydrophobicContact CG-CE1 3.9Å; P183-F219 HydrophobicContact CG-CE2 4.28Å; P183-F219 HydrophobicContact CG-CZ 3.68Å
184	A	87.3	Confident	92	Very high	15 Å²	15	40.8 Å²	40.8	12%	0.124	22%	0.224	C	C	.	.	H	α-helix	trans	-65.3	-35.2	176.4	0	0	0	0	0	112.5	V176 D181 G186 R187 A188	V176-A184 HydrophobicContact CB-CB 4.21Å; V176-A184 HydrophobicContact CG1-CB 3.89Å; D181-A184 HydrophobicContact CB-CB 3.98Å; D181-A184 PolarHBondContact O-N 3.37Å; D181-A184 WeakPolarHBondContact OD1-CB 3.44Å; D181-A184 PolarHBondContact OD1-N 3.11Å; A184-G186 VanDerWaalsContact C-N 3.28Å; A184-G186 PolarHBondContact O-N 2.88Å; A184-R187 PolarHBondContact O-N 3Å; A184-A188 WeakPolarHBondContact O-CB 3.45Å; A184-A188 PolarHBondContact O-N 2.95Å
185	E	93.3	Very high	91.6	Very high	15 Å²	15	35.7 Å²	35.7	7%	0.07	20%	0.2	C	C	.	.	H	α-helix	trans	-56.7	-43.3	170.3	-162.3	-165.4	157.4	0	0	111.3	L173 V176 R177 D181 R182 P183 A188 L189 I215	L173-E185 HydrophobicContact CD1-CB 4.48Å; L173-E185 HydrophobicContact CD1-CG 3.4Å; L173-E185 VanDerWaalsContact CD1-CG 3.4Å; V176-E185 HydrophobicContact CG2-CB 4.03Å; V176-E185 HydrophobicContact CG2-CG 4.34Å; R177-E185 HydrophobicContact CG-CG 3.88Å; R177-E185 IonicContact CZ-OE1 2.7Å; R177-E185 IonicContact NE-OE1 3.32Å; R177-E185 PolarHBondContact NE-OE1 2.74Å; R177-E185 IonicContact NH2-OE1 3.01Å; R177-E185 PolarHBondContact NH2-OE1 2.86Å; D181-E185 PolarHBondContact O-N 2.82Å; R182-E185 WeakPolarHBondContact CD-OE2 3.28Å; R182-E185 IonicContact CZ-OE2 2.82Å; R182-E185 IonicContact NE-OE2 2.69Å; R182-E185 IonicContact NH1-OE1 3.32Å; R182-E185 PolarHBondContact NH1-OE1 2.75Å; R182-E185 VanDerWaalsContact NH1-OE1 3.12Å; R182-E185 IonicContact NH1-OE2 3.72Å; R182-E185 PolarHBondContact NH1-OE2 2.73Å; R182-E185 WeakPolarHBondContact O-CB 3.46Å; R182-E185 PolarHBondContact O-N 3.33Å; P183-E185 VanDerWaalsContact C-N 3.33Å; P183-E185 PolarHBondContact O-N 2.98Å; E185-A188 PolarHBondContact O-N 2.88Å; E185-L189 HydrophobicContact CG-CD1 4.03Å; E185-L189 WeakPolarHBondContact O-CB 3.46Å; E185-L189 WeakPolarHBondContact O-CG 3.36Å; E185-L189 PolarHBondContact O-N 3.01Å; E185-I215 HydrophobicContact CB-CD1 4.19Å; E185-I215 HydrophobicContact CG-CD1 4.25Å
186	G	89.5	Confident	91.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.5	-46.1	175.7	0	0	0	0	0	112.8	R182 P183 A184 A188 L189 G190 R212	R182-G186 PolarHBondContact O-N 3.42Å; R182-G186 VanDerWaalsContact O-N 3.08Å; P183-G186 PolarHBondContact O-N 2.96Å; P183-G186 VanDerWaalsContact O-N 3.12Å; A184-G186 VanDerWaalsContact C-N 3.28Å; A184-G186 PolarHBondContact O-N 2.88Å; G186-A188 PolarHBondContact O-N 3.38Å; G186-L189 PolarHBondContact O-N 2.97Å; G186-G190 PolarHBondContact O-N 3.37Å; G186-R212 VanDerWaalsContact O-CD 3.31Å; G186-R212 WeakPolarHBondContact O-CD 3.16Å
187	R	88.2	Confident	91.2	Very high	85 Å²	85	37.7 Å²	37.7	32%	0.321	21%	0.205	S	C	.	.	H	α-helix	trans	-63.1	-41.1	177	-63.8	-171.5	-65.5	-144.1	15.8	111.7	P183 A184 S191 D729	P183-R187 PolarHBondContact O-N 3.49Å; P183-R187 VanDerWaalsContact O-N 3.07Å; A184-R187 PolarHBondContact O-N 3Å; R187-S191 WeakPolarHBondContact O-CB 3.43Å; R187-S191 PolarHBondContact O-N 3.25Å; R187-S191 VanDerWaalsContact O-N 3.11Å; R187-S191 PolarHBondContact O-OG 2.8Å; R187-D729 IonicContact CZ-OD1 3.29Å; R187-D729 IonicContact NH1-OD1 2.6Å; R187-D729 PolarHBondContact NH1-OD1 3.06Å; R187-D729 IonicContact NH2-OD1 2.78Å; R187-D729 PolarHBondContact NH2-OD1 2.83Å
188	A	89.3	Confident	90.7	Very high	5 Å²	5	34 Å²	34	4%	0.041	19%	0.194	C	C	.	.	H	α-helix	trans	-65.3	-46.4	175.8	0	0	0	0	0	112.2	L173 A184 E185 G186 S191 L192	L173-A188 HydrophobicContact CB-CB 4.07Å; L173-A188 HydrophobicContact CD1-CB 4.12Å; A184-A188 WeakPolarHBondContact O-CB 3.45Å; A184-A188 PolarHBondContact O-N 2.95Å; E185-A188 PolarHBondContact O-N 2.88Å; G186-A188 PolarHBondContact O-N 3.38Å; A188-S191 PolarHBondContact O-N 3.29Å; A188-L192 VanDerWaalsContact O-CB 3.26Å; A188-L192 WeakPolarHBondContact O-CB 3.37Å; A188-L192 PolarHBondContact O-N 2.87Å
189	L	96.4	Very high	90.3	Very high	5 Å²	5	29.6 Å²	29.6	3%	0.026	17%	0.166	C	C	.	.	H	α-helix	trans	-60.2	-46.9	177.3	-82.7	162.5	0	0	0	112.8	L173 E185 G186 S191 L192 A193 C208 E211 R212 I215	L173-L189 HydrophobicContact CD1-CD1 4.39Å; L173-L189 HydrophobicContact CD1-CD2 4.3Å; L173-L189 HydrophobicContact CD1-CG 3.8Å; L173-L189 HydrophobicContact CD2-CD2 3.72Å; L173-L189 HydrophobicContact CD2-CG 4.09Å; E185-L189 HydrophobicContact CG-CD1 4.03Å; E185-L189 WeakPolarHBondContact O-CB 3.46Å; E185-L189 WeakPolarHBondContact O-CG 3.36Å; E185-L189 PolarHBondContact O-N 3.01Å; G186-L189 PolarHBondContact O-N 2.97Å; L189-S191 VanDerWaalsContact C-N 3.33Å; L189-S191 PolarHBondContact O-N 3.01Å; L189-L192 PolarHBondContact O-N 3.08Å; L189-A193 VanDerWaalsContact O-CB 3.26Å; L189-A193 WeakPolarHBondContact O-CB 3.33Å; L189-A193 PolarHBondContact O-N 3.36Å; L189-C208 HydrophobicContact CD2-CB 4.26Å; L189-E211 HydrophobicContact CD1-CB 3.76Å; L189-E211 HydrophobicContact CD2-CB 4.23Å; L189-R212 HydrophobicContact CB-CB 4.22Å; L189-I215 HydrophobicContact CD1-CD1 3.58Å
190	G	88.1	Confident	90.1	Very high	16 Å²	16	29.4 Å²	29.4	17%	0.165	17%	0.171	C	C	.	.	H	α-helix	trans	-62.9	-39.2	177	0	0	0	0	0	112.6	G186 A193 N194	G186-G190 PolarHBondContact O-N 3.37Å; G190-A193 PolarHBondContact O-N 3.3Å; G190-N194 WeakPolarHBondContact O-CB 3.33Å; G190-N194 PolarHBondContact O-N 3Å
191	S	92	Very high	90.1	Very high	15 Å²	15	29.3 Å²	29.3	11%	0.105	16%	0.156	C	C	.	.	H	α-helix	trans	-73.2	-36.8	-179.9	-50.4	0	0	0	0	112.5	Y134 Y169 R187 A188 L189 A195	Y134-S191 VanDerWaalsContact CE2-OG 3.29Å; Y134-S191 WeakPolarHBondContact CE2-OG 3.36Å; Y134-S191 PolarHBondContact OH-OG 3.44Å; Y169-S191 WeakPolarHBondContact CE2-O 3.4Å; Y169-S191 VanDerWaalsContact CZ-CB 3.46Å; R187-S191 WeakPolarHBondContact O-CB 3.43Å; R187-S191 PolarHBondContact O-N 3.25Å; R187-S191 VanDerWaalsContact O-N 3.11Å; R187-S191 PolarHBondContact O-OG 2.8Å; A188-S191 PolarHBondContact O-N 3.29Å; L189-S191 VanDerWaalsContact C-N 3.33Å; L189-S191 PolarHBondContact O-N 3.01Å; S191-A195 WeakPolarHBondContact O-CB 3.3Å; S191-A195 PolarHBondContact O-N 3.36Å
192	L	95.6	Very high	90.2	Very high	5 Å²	5	28.8 Å²	28.8	3%	0.026	15%	0.153	C	C	.	.	H	α-helix	trans	-65.1	-41.6	171.2	-179.8	59.4	0	0	0	111.8	A166 K170 L173 A188 L189 A195 Y196	A166-L192 HydrophobicContact CB-CD1 3.93Å; A166-L192 WeakPolarHBondContact O-CD1 3.48Å; K170-L192 HydrophobicContact CB-CD1 4.43Å; K170-L192 HydrophobicContact CB-CD2 4.39Å; L173-L192 HydrophobicContact CD2-CD2 3.79Å; A188-L192 VanDerWaalsContact O-CB 3.26Å; A188-L192 WeakPolarHBondContact O-CB 3.37Å; A188-L192 PolarHBondContact O-N 2.87Å; L189-L192 PolarHBondContact O-N 3.08Å; L192-A195 CarbonylContact O-C 3.57Å; L192-A195 WeakPolarHBondContact O-CA 3.43Å; L192-A195 WeakPolarHBondContact O-CB 3.45Å; L192-A195 PolarHBondContact O-N 3.02Å; L192-A195 VanDerWaalsContact O-N 3.12Å; L192-Y196 HydrophobicContact CD1-CD2 4.11Å; L192-Y196 HydrophobicContact CD1-CE2 3.59Å; L192-Y196 HydrophobicContact CD2-CE2 4.04Å; L192-Y196 HydrophobicContact CG-CD2 3.97Å; L192-Y196 HydrophobicContact CG-CE2 3.58Å; L192-Y196 WeakPolarHBondContact O-CD2 3.34Å; L192-Y196 PolarHBondContact O-N 3.37Å
193	A	93.8	Very high	90.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-64	-45.8	175.3	0	0	0	0	0	111.9	L189 G190 A195 Y196 Y197 A205 C208 Y209	L189-A193 VanDerWaalsContact O-CB 3.26Å; L189-A193 WeakPolarHBondContact O-CB 3.33Å; L189-A193 PolarHBondContact O-N 3.36Å; G190-A193 PolarHBondContact O-N 3.3Å; A193-A195 PolarHBondContact O-N 2.95Å; A193-Y196 PolarHBondContact O-N 2.91Å; A193-Y197 WeakPolarHBondContact O-CB 3.42Å; A193-Y197 PolarHBondContact O-N 2.94Å; A193-A205 WeakPolarHBondContact O-CB 3.45Å; A193-C208 HydrophobicContact CB-CB 3.56Å; A193-Y209 HydrophobicContact CB-CD1 3.25Å; A193-Y209 HydrophobicContact CB-CD2 4.06Å; A193-Y209 HydrophobicContact CB-CE1 3.19Å; A193-Y209 HydrophobicContact CB-CE2 4.02Å; A193-Y209 HydrophobicContact CB-CG 3.67Å; A193-Y209 PolarHBondContact O-OH 3.22Å
194	N	87.4	Confident	90.8	Very high	25 Å²	25	30.4 Å²	30.4	13%	0.134	16%	0.163	C	C	.	.	H	α-helix	trans	-56.9	-35.1	170.8	-79.3	2.6	0	0	0	111.3	G190 L198 Y209 N231 E793	G190-N194 WeakPolarHBondContact O-CB 3.33Å; G190-N194 PolarHBondContact O-N 3Å; N194-L198 VanDerWaalsContact O-CD1 3.32Å; N194-L198 WeakPolarHBondContact O-CD1 3.31Å; N194-L198 VanDerWaalsContact O-CG 3.27Å; N194-L198 WeakPolarHBondContact O-CG 3.39Å; N194-L198 PolarHBondContact O-N 3.14Å; N194-Y209 WeakPolarHBondContact CA-OH 3.26Å; N194-Y209 PolarHBondContact N-OH 3.22Å; N194-Y209 WeakPolarHBondContact OD1-CE1 3.14Å; N194-Y209 PolarHBondContact OD1-OH 3.1Å; N194-N231 PolarHBondContact OD1-ND2 3.29Å; N194-E793 PolarHBondContact ND2-OE1 3.36Å
195	A	89.4	Confident	91.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-72.3	-40.6	176.2	0	0	0	0	0	113.5	Q162 A166 Y169 S191 L192 A193 L198 L199	Q162-A195 VanDerWaalsContact NE2-CB 3.33Å; A166-A195 HydrophobicContact CB-CB 4.08Å; Y169-A195 HydrophobicContact CD2-CB 4.12Å; Y169-A195 HydrophobicContact CE2-CB 4.33Å; S191-A195 WeakPolarHBondContact O-CB 3.3Å; S191-A195 PolarHBondContact O-N 3.36Å; L192-A195 CarbonylContact O-C 3.57Å; L192-A195 WeakPolarHBondContact O-CA 3.43Å; L192-A195 WeakPolarHBondContact O-CB 3.45Å; L192-A195 PolarHBondContact O-N 3.02Å; L192-A195 VanDerWaalsContact O-N 3.12Å; A193-A195 PolarHBondContact O-N 2.95Å; A195-L198 PolarHBondContact O-N 2.67Å; A195-L199 WeakPolarHBondContact O-CG 3.22Å; A195-L199 PolarHBondContact O-N 3Å
196	Y	92.7	Very high	91.3	Very high	49 Å²	49	29.2 Å²	29.2	19%	0.192	16%	0.155	C	C	.	.	H	α-helix	trans	-67.7	-38.9	174.4	-75.3	-48.4	0	0	0	112.4	A166 L192 A193 L198 L199 S200 N201 E204	A166-Y196 HydrophobicContact CB-CE1 4.29Å; L192-Y196 HydrophobicContact CD1-CD2 4.11Å; L192-Y196 HydrophobicContact CD1-CE2 3.59Å; L192-Y196 HydrophobicContact CD2-CE2 4.04Å; L192-Y196 HydrophobicContact CG-CD2 3.97Å; L192-Y196 HydrophobicContact CG-CE2 3.58Å; L192-Y196 WeakPolarHBondContact O-CD2 3.34Å; L192-Y196 PolarHBondContact O-N 3.37Å; A193-Y196 PolarHBondContact O-N 2.91Å; Y196-L198 VanDerWaalsContact C-N 3.31Å; Y196-L198 PolarHBondContact O-N 3.1Å; Y196-L199 HydrophobicContact CD1-CD1 4.46Å; Y196-L199 CarbonylContact O-C 3.57Å; Y196-L199 WeakPolarHBondContact O-CA 3.46Å; Y196-L199 WeakPolarHBondContact O-CB 3.5Å; Y196-L199 PolarHBondContact O-N 3.46Å; Y196-S200 PolarHBondContact O-N 3.05Å; Y196-N201 HydrophobicContact CD1-CB 4.07Å; Y196-N201 HydrophobicContact CG-CB 4.39Å; Y196-N201 PolarHBondContact O-N 3.25Å; Y196-E204 HydrophobicContact CD1-CB 4.41Å; Y196-E204 HydrophobicContact CD2-CB 3.87Å; Y196-E204 HydrophobicContact CE2-CB 4.15Å; Y196-E204 HydrophobicContact CG-CB 4.03Å
197	Y	87.6	Confident	91.7	Very high	30 Å²	30	35.4 Å²	35.4	12%	0.118	18%	0.184	C	C	.	.	H	α-helix	trans	-57.1	-43.5	174.3	177.8	-93	0	0	0	111.8	A193 L199 S200 F202 N234 A235 F238 M800	A193-Y197 WeakPolarHBondContact O-CB 3.42Å; A193-Y197 PolarHBondContact O-N 2.94Å; Y197-L199 PolarHBondContact O-N 3.48Å; Y197-S200 PolarHBondContact O-N 3.21Å; Y197-S200 VanDerWaalsContact O-N 3.08Å; Y197-F202 AromaticContact CD2-CD1 3.85Å; Y197-F202 HydrophobicContact CD2-CD1 3.85Å; Y197-F202 AromaticContact CD2-CE1 3.98Å; Y197-F202 HydrophobicContact CD2-CE1 3.98Å; Y197-F202 HydrophobicContact CE2-CD1 4.25Å; Y197-F202 HydrophobicContact CE2-CE1 4.14Å; Y197-N234 HydrophobicContact CE2-CB 4.01Å; Y197-A235 HydrophobicContact CD2-CB 4.2Å; Y197-A235 HydrophobicContact CE2-CB 4.47Å; Y197-F238 HydrophobicContact CE2-CD2 4.08Å; Y197-F238 HydrophobicContact CE2-CE2 4.43Å; Y197-F238 VanDerWaalsContact OH-CE2 3.29Å; Y197-F238 WeakPolarHBondContact OH-CE2 3.44Å; Y197-M800 HydrophobicContact CE1-SD 3.94Å
198	L	85	Confident	92.2	Very high	41 Å²	41	32.2 Å²	32.2	22%	0.215	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-8.2	176.2	-66.7	164.6	0	0	0	114.4	Q141 K145 Q162 N194 A195 Y196	Q141-L198 HydrophobicContact CG-CD1 4.23Å; K145-L198 HydrophobicContact CD-CD1 4.48Å; K145-L198 HydrophobicContact CG-CD1 4.47Å; Q162-L198 HydrophobicContact CG-CB 3.75Å; N194-L198 VanDerWaalsContact O-CD1 3.32Å; N194-L198 WeakPolarHBondContact O-CD1 3.31Å; N194-L198 VanDerWaalsContact O-CG 3.27Å; N194-L198 WeakPolarHBondContact O-CG 3.39Å; N194-L198 PolarHBondContact O-N 3.14Å; A195-L198 PolarHBondContact O-N 2.67Å; Y196-L198 VanDerWaalsContact C-N 3.31Å; Y196-L198 PolarHBondContact O-N 3.1Å
199	L	87.1	Confident	92.5	Very high	31 Å²	31	32.2 Å²	32.2	16%	0.162	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	0.8	169.3	-69.5	168.4	0	0	0	112.5	V159 Q162 R163 A166 A195 Y196 Y197 N201	V159-L199 HydrophobicContact CG1-CD2 3.77Å; Q162-L199 HydrophobicContact CB-CD2 3.89Å; Q162-L199 HydrophobicContact CB-CG 4.29Å; Q162-L199 HydrophobicContact CG-CD2 4Å; Q162-L199 HydrophobicContact CG-CG 3.85Å; R163-L199 HydrophobicContact CG-CD1 4.05Å; R163-L199 HydrophobicContact CG-CD2 3.93Å; A166-L199 HydrophobicContact CB-CD1 4.41Å; A195-L199 WeakPolarHBondContact O-CG 3.22Å; A195-L199 PolarHBondContact O-N 3Å; Y196-L199 HydrophobicContact CD1-CD1 4.46Å; Y196-L199 CarbonylContact O-C 3.57Å; Y196-L199 WeakPolarHBondContact O-CA 3.46Å; Y196-L199 WeakPolarHBondContact O-CB 3.5Å; Y196-L199 PolarHBondContact O-N 3.46Å; Y197-L199 PolarHBondContact O-N 3.48Å; L199-N201 PolarHBondContact O-N 3.29Å; L199-N201 PolarHBondContact O-OD1 3.14Å
200	S	88.3	Confident	92.6	Very high	74 Å²	74	38 Å²	38	52%	0.517	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	17.9	-168.5	-54.5	0	0	0	0	114.8	Y196 Y197 F202	Y196-S200 PolarHBondContact O-N 3.05Å; Y197-S200 PolarHBondContact O-N 3.21Å; Y197-S200 VanDerWaalsContact O-N 3.08Å; S200-F202 VanDerWaalsContact O-CD2 3.24Å; S200-F202 WeakPolarHBondContact O-CD2 3.46Å; S200-F202 WeakPolarHBondContact O-CE2 3.5Å; S200-F202 PolarHBondContact O-N 3.29Å
201	N	92.1	Very high	93.1	Very high	58 Å²	58	40.3 Å²	40.3	31%	0.31	20%	0.202	S	C	.	.			trans	-83.2	61.1	171.7	-73.2	58.4	0	0	0	109.7	Y196 L199 T203 E204 A205	Y196-N201 HydrophobicContact CD1-CB 4.07Å; Y196-N201 HydrophobicContact CG-CB 4.39Å; Y196-N201 PolarHBondContact O-N 3.25Å; L199-N201 PolarHBondContact O-N 3.29Å; L199-N201 PolarHBondContact O-OD1 3.14Å; N201-T203 VanDerWaalsContact C-N 3.27Å; N201-T203 PolarHBondContact O-N 3.46Å; N201-E204 PolarHBondContact ND2-OE1 2.92Å; N201-E204 PolarHBondContact O-N 3.09Å; N201-A205 WeakPolarHBondContact O-CB 3.5Å; N201-A205 PolarHBondContact O-N 3.35Å
202	F	90.1	Very high	93.3	Very high	26 Å²	26	41.1 Å²	41.1	11%	0.114	20%	0.202	C	C	.	.	H	α-helix	trans	-62.8	-31.1	-171	-54.9	-64.6	0	0	0	113.4	Y197 S200 I206 A235 F238 L239	Y197-F202 AromaticContact CD2-CD1 3.85Å; Y197-F202 HydrophobicContact CD2-CD1 3.85Å; Y197-F202 AromaticContact CD2-CE1 3.98Å; Y197-F202 HydrophobicContact CD2-CE1 3.98Å; Y197-F202 HydrophobicContact CE2-CD1 4.25Å; Y197-F202 HydrophobicContact CE2-CE1 4.14Å; S200-F202 VanDerWaalsContact O-CD2 3.24Å; S200-F202 WeakPolarHBondContact O-CD2 3.46Å; S200-F202 WeakPolarHBondContact O-CE2 3.5Å; S200-F202 PolarHBondContact O-N 3.29Å; F202-I206 WeakPolarHBondContact O-CD1 3.46Å; F202-I206 VanDerWaalsContact O-CG1 3.26Å; F202-I206 WeakPolarHBondContact O-CG1 3.36Å; F202-I206 PolarHBondContact O-N 3.32Å; F202-A235 HydrophobicContact CB-CB 4.48Å; F202-F238 HydrophobicContact CD1-CB 3.82Å; F202-F238 HydrophobicContact CD1-CG 4.43Å; F202-F238 HydrophobicContact CD2-CB 3.89Å; F202-F238 HydrophobicContact CE1-CB 3.56Å; F202-F238 HydrophobicContact CE1-CD1 4.26Å; F202-F238 HydrophobicContact CE1-CD2 4.19Å; F202-F238 AromaticContact CE1-CG 3.75Å; F202-F238 HydrophobicContact CE1-CG 3.75Å; F202-F238 HydrophobicContact CE2-CB 3.64Å; F202-F238 HydrophobicContact CE2-CD1 4.36Å; F202-F238 HydrophobicContact CE2-CG 4.27Å; F202-F238 HydrophobicContact CG-CB 3.98Å; F202-F238 HydrophobicContact CZ-CB 3.47Å; F202-F238 VanDerWaalsContact CZ-CB 3.47Å; F202-F238 AromaticContact CZ-CD1 3.76Å; F202-F238 HydrophobicContact CZ-CD1 3.76Å; F202-F238 HydrophobicContact CZ-CD2 4.49Å; F202-F238 AromaticContact CZ-CG 3.65Å; F202-F238 HydrophobicContact CZ-CG 3.65Å; F202-L239 HydrophobicContact CB-CD1 4.19Å; F202-L239 HydrophobicContact CB-CD2 3.95Å; F202-L239 HydrophobicContact CB-CG 3.82Å; F202-L239 HydrophobicContact CD2-CD2 4.36Å
203	T	97.2	Very high	93.3	Very high	82 Å²	82	41.8 Å²	41.8	50%	0.503	21%	0.206	S	C	.	.	H	α-helix	trans	-61.9	-54	175.3	25.8	0	0	0	0	112.3	N201 A205 I206 E207 L239	N201-T203 VanDerWaalsContact C-N 3.27Å; N201-T203 PolarHBondContact O-N 3.46Å; T203-A205 VanDerWaalsContact C-N 3.29Å; T203-A205 PolarHBondContact O-N 2.99Å; T203-I206 PolarHBondContact O-N 3.14Å; T203-E207 PolarHBondContact O-N 3.23Å; T203-E207 VanDerWaalsContact O-N 3.07Å; T203-L239 HydrophobicContact CG2-CD1 4.48Å
204	E	96.5	Very high	93.5	Very high	61 Å²	61	46.2 Å²	46.2	29%	0.285	23%	0.225	S	C	.	.	H	α-helix	trans	-68	-30.3	179.1	-58.6	95.4	113.4	0	0	111.9	Y196 N201 C208	Y196-E204 HydrophobicContact CD1-CB 4.41Å; Y196-E204 HydrophobicContact CD2-CB 3.87Å; Y196-E204 HydrophobicContact CE2-CB 4.15Å; Y196-E204 HydrophobicContact CG-CB 4.03Å; N201-E204 PolarHBondContact ND2-OE1 2.92Å; N201-E204 PolarHBondContact O-N 3.09Å; E204-C208 WeakPolarHBondContact O-CB 3.09Å; E204-C208 PolarHBondContact O-N 3.45Å; E204-C208 PolarHBondContact O-SG 3.4Å
205	A	93.5	Very high	93.7	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.1	-48	170.2	0	0	0	0	0	111.5	A193 N201 T203 E207 C208 Y209	A193-A205 WeakPolarHBondContact O-CB 3.45Å; N201-A205 WeakPolarHBondContact O-CB 3.5Å; N201-A205 PolarHBondContact O-N 3.35Å; T203-A205 VanDerWaalsContact C-N 3.29Å; T203-A205 PolarHBondContact O-N 2.99Å; A205-E207 PolarHBondContact O-N 3.47Å; A205-C208 PolarHBondContact O-N 3.24Å; A205-Y209 HydrophobicContact CB-CD2 4.35Å; A205-Y209 HydrophobicContact CB-CE2 3.88Å; A205-Y209 WeakPolarHBondContact O-CD2 3.49Å; A205-Y209 PolarHBondContact O-N 2.87Å
206	I	97.7	Very high	93.9	Very high	6 Å²	6	45 Å²	45	3%	0.031	22%	0.219	C	C	.	.	H	α-helix	trans	-61.7	-40.9	177.7	-71.2	164.2	0	0	0	111.6	F202 T203 R210 I232 A235 F236 L239	F202-I206 WeakPolarHBondContact O-CD1 3.46Å; F202-I206 VanDerWaalsContact O-CG1 3.26Å; F202-I206 WeakPolarHBondContact O-CG1 3.36Å; F202-I206 PolarHBondContact O-N 3.32Å; T203-I206 PolarHBondContact O-N 3.14Å; I206-R210 HydrophobicContact CG2-CG 4.4Å; I206-R210 WeakPolarHBondContact O-CB 3.19Å; I206-R210 VanDerWaalsContact O-CG 3.22Å; I206-R210 WeakPolarHBondContact O-CG 3.27Å; I206-R210 PolarHBondContact O-N 3.48Å; I206-I232 HydrophobicContact CG1-CG2 4.43Å; I206-I232 HydrophobicContact CG2-CG2 4.35Å; I206-A235 HydrophobicContact CD1-CB 3.79Å; I206-A235 HydrophobicContact CG1-CB 3.5Å; I206-A235 VanDerWaalsContact CG1-CB 3.5Å; I206-F236 HydrophobicContact CD1-CD1 3.84Å; I206-F236 HydrophobicContact CD1-CD2 4.31Å; I206-F236 HydrophobicContact CD1-CE1 3.81Å; I206-F236 HydrophobicContact CD1-CE2 4.27Å; I206-F236 HydrophobicContact CD1-CG 4.1Å; I206-F236 HydrophobicContact CD1-CZ 4.02Å; I206-F236 HydrophobicContact CG2-CE2 4.43Å; I206-F236 HydrophobicContact CG2-CZ 4.21Å; I206-L239 HydrophobicContact CD1-CD1 3.57Å
207	E	98.1	Very high	94	Very high	130 Å²	130	47.7 Å²	47.7	61%	0.607	23%	0.231	S	C	*	.	H	α-helix	trans	-60.5	-46.8	174.4	-69.5	-177.6	167.9	0	0	111.8	T203 A205 R210 E211	T203-E207 PolarHBondContact O-N 3.23Å; T203-E207 VanDerWaalsContact O-N 3.07Å; A205-E207 PolarHBondContact O-N 3.47Å; E207-R210 PolarHBondContact O-N 2.95Å; E207-E211 PolarHBondContact O-N 3.26Å
208	C	97.4	Very high	94.4	Very high	18 Å²	18	51 Å²	51	12%	0.122	25%	0.248	C	C	.	.	H	α-helix	trans	-68	-40.2	179.2	-66.1	0	0	0	0	112.6	L189 A193 E204 A205 R210 E211 R212	L189-C208 HydrophobicContact CD2-CB 4.26Å; A193-C208 HydrophobicContact CB-CB 3.56Å; E204-C208 WeakPolarHBondContact O-CB 3.09Å; E204-C208 PolarHBondContact O-N 3.45Å; E204-C208 PolarHBondContact O-SG 3.4Å; A205-C208 PolarHBondContact O-N 3.24Å; C208-R210 VanDerWaalsContact C-N 3.34Å; C208-R210 PolarHBondContact O-N 2.83Å; C208-E211 PolarHBondContact O-N 2.94Å; C208-R212 PolarHBondContact O-N 3.35Å; C208-R212 VanDerWaalsContact O-N 3.08Å
209	Y	97.4	Very high	94.7	Very high	5 Å²	5	54.8 Å²	54.8	2%	0.02	26%	0.263	C	S	.	.	H	α-helix	trans	-65.1	-34.9	173.7	-65.7	-53	0	0	0	112.2	A193 N194 A205 R212 L213 N231 I232	A193-Y209 HydrophobicContact CB-CD1 3.25Å; A193-Y209 HydrophobicContact CB-CD2 4.06Å; A193-Y209 HydrophobicContact CB-CE1 3.19Å; A193-Y209 HydrophobicContact CB-CE2 4.02Å; A193-Y209 HydrophobicContact CB-CG 3.67Å; A193-Y209 PolarHBondContact O-OH 3.22Å; N194-Y209 WeakPolarHBondContact CA-OH 3.26Å; N194-Y209 PolarHBondContact N-OH 3.22Å; N194-Y209 WeakPolarHBondContact OD1-CE1 3.14Å; N194-Y209 PolarHBondContact OD1-OH 3.1Å; A205-Y209 HydrophobicContact CB-CD2 4.35Å; A205-Y209 HydrophobicContact CB-CE2 3.88Å; A205-Y209 WeakPolarHBondContact O-CD2 3.49Å; A205-Y209 PolarHBondContact O-N 2.87Å; Y209-R212 PolarHBondContact O-N 3.5Å; Y209-L213 WeakPolarHBondContact O-CB 3.26Å; Y209-L213 PolarHBondContact O-N 2.84Å; Y209-N231 HydrophobicContact CD1-CB 3.95Å; Y209-N231 HydrophobicContact CD2-CB 4.25Å; Y209-N231 HydrophobicContact CE1-CB 3.55Å; Y209-N231 HydrophobicContact CE2-CB 3.88Å; Y209-N231 WeakPolarHBondContact CE2-O 3.07Å; Y209-N231 HydrophobicContact CG-CB 4.32Å; Y209-I232 HydrophobicContact CD2-CG1 4.09Å; Y209-I232 HydrophobicContact CG-CG1 4.09Å
210	R	98.5	Very high	94.9	Very high	125 Å²	125	55.6 Å²	55.6	47%	0.472	28%	0.279	S	S	.	.	H	α-helix	trans	-64.4	-39.6	177	-80.5	170.7	171.5	175.1	-3.9	112.1	I206 E207 C208 L213 K214 I232	I206-R210 HydrophobicContact CG2-CG 4.4Å; I206-R210 WeakPolarHBondContact O-CB 3.19Å; I206-R210 VanDerWaalsContact O-CG 3.22Å; I206-R210 WeakPolarHBondContact O-CG 3.27Å; I206-R210 PolarHBondContact O-N 3.48Å; E207-R210 PolarHBondContact O-N 2.95Å; C208-R210 VanDerWaalsContact C-N 3.34Å; C208-R210 PolarHBondContact O-N 2.83Å; R210-L213 PolarHBondContact O-N 3.07Å; R210-K214 WeakPolarHBondContact O-CB 3.47Å; R210-K214 PolarHBondContact O-N 2.89Å; R210-I232 HydrophobicContact CG-CD1 4Å
211	E	97.7	Very high	94.9	Very high	65 Å²	65	54 Å²	54	30%	0.304	26%	0.264	S	S	.	.	H	α-helix	trans	-72.1	-33.4	172.7	-73.8	-66.5	132.2	0	0	112.6	L189 E207 C208 K214 I215	L189-E211 HydrophobicContact CD1-CB 3.76Å; L189-E211 HydrophobicContact CD2-CB 4.23Å; E207-E211 PolarHBondContact O-N 3.26Å; C208-E211 PolarHBondContact O-N 2.94Å; E211-K214 VanDerWaalsContact CD-NZ 3.28Å; E211-K214 PolarHBondContact O-N 3.37Å; E211-K214 WeakPolarHBondContact OE1-CD 3.36Å; E211-K214 IonicContact OE1-NZ 3.98Å; E211-K214 PolarHBondContact OE1-NZ 3.31Å; E211-K214 IonicContact OE2-NZ 3.99Å; E211-K214 PolarHBondContact OE2-NZ 2.88Å; E211-I215 WeakPolarHBondContact O-CG1 3.43Å; E211-I215 PolarHBondContact O-N 3.14Å
212	R	95.7	Very high	94.9	Very high	32 Å²	32	53.5 Å²	53.5	12%	0.121	26%	0.261	C	S	.	.	H	α-helix	trans	-63.7	-41.6	167.8	174.3	51.2	167.3	131.1	-6.7	111.7	G186 L189 C208 Y209 K214 I215 A216 D221	G186-R212 VanDerWaalsContact O-CD 3.31Å; G186-R212 WeakPolarHBondContact O-CD 3.16Å; L189-R212 HydrophobicContact CB-CB 4.22Å; C208-R212 PolarHBondContact O-N 3.35Å; C208-R212 VanDerWaalsContact O-N 3.08Å; Y209-R212 PolarHBondContact O-N 3.5Å; R212-K214 VanDerWaalsContact C-N 3.3Å; R212-K214 PolarHBondContact O-N 2.75Å; R212-I215 PolarHBondContact O-N 3.15Å; R212-A216 WeakPolarHBondContact O-CB 3.29Å; R212-A216 PolarHBondContact O-N 3.34Å; R212-D221 IonicContact CZ-OD2 2.75Å; R212-D221 IonicContact NH1-OD2 3.14Å; R212-D221 PolarHBondContact NH1-OD2 3.06Å; R212-D221 IonicContact NH2-OD2 3.69Å; R212-D221 PolarHBondContact NH2-OD2 2.67Å
213	L	96.3	Very high	94.8	Very high	19 Å²	19	53.2 Å²	53.2	10%	0.099	26%	0.262	C	S	.	.	H	α-helix	trans	-59.7	-42.7	177.2	176.5	57.7	0	0	0	111.3	Y209 R210 A216 K217 Q225 A228 H229 I232	Y209-L213 WeakPolarHBondContact O-CB 3.26Å; Y209-L213 PolarHBondContact O-N 2.84Å; R210-L213 PolarHBondContact O-N 3.07Å; L213-A216 PolarHBondContact O-N 3.2Å; L213-K217 WeakPolarHBondContact O-CG 3.24Å; L213-K217 PolarHBondContact O-N 3.4Å; L213-Q225 HydrophobicContact CD1-CB 4.1Å; L213-Q225 HydrophobicContact CD1-CG 4.04Å; L213-A228 HydrophobicContact CB-CB 3.82Å; L213-A228 HydrophobicContact CD1-CB 4.21Å; L213-H229 WeakPolarHBondContact CD1-CD2 3.33Å; L213-H229 WeakPolarHBondContact CD2-NE2 3.29Å; L213-I232 HydrophobicContact CD2-CD1 4.2Å
214	K	98	Very high	94.3	Very high	94 Å²	94	49.3 Å²	49.3	41%	0.409	24%	0.238	S	C	.	.	H	α-helix	trans	-61.5	-45.9	174.5	176.5	178	156.8	-152.8	0	112.1	R210 E211 R212 A216 K217 E218	R210-K214 WeakPolarHBondContact O-CB 3.47Å; R210-K214 PolarHBondContact O-N 2.89Å; E211-K214 VanDerWaalsContact CD-NZ 3.28Å; E211-K214 PolarHBondContact O-N 3.37Å; E211-K214 WeakPolarHBondContact OE1-CD 3.36Å; E211-K214 IonicContact OE1-NZ 3.98Å; E211-K214 PolarHBondContact OE1-NZ 3.31Å; E211-K214 IonicContact OE2-NZ 3.99Å; E211-K214 PolarHBondContact OE2-NZ 2.88Å; R212-K214 VanDerWaalsContact C-N 3.3Å; R212-K214 PolarHBondContact O-N 2.75Å; K214-A216 VanDerWaalsContact C-N 3.33Å; K214-A216 PolarHBondContact O-N 3.47Å; K214-K217 PolarHBondContact O-N 3.04Å; K214-E218 WeakPolarHBondContact CG-OE1 3.48Å; K214-E218 WeakPolarHBondContact O-CG 3.43Å; K214-E218 PolarHBondContact O-N 3.5Å
215	I	92.4	Very high	94.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-59.4	-43.3	171.8	-67.8	165.5	0	0	0	111.3	R182 E185 L189 E211 R212 K217 E218 F219	R182-I215 HydrophobicContact CG-CG1 4.43Å; R182-I215 HydrophobicContact CG-CG2 4.47Å; E185-I215 HydrophobicContact CB-CD1 4.19Å; E185-I215 HydrophobicContact CG-CD1 4.25Å; L189-I215 HydrophobicContact CD1-CD1 3.58Å; E211-I215 WeakPolarHBondContact O-CG1 3.43Å; E211-I215 PolarHBondContact O-N 3.14Å; R212-I215 PolarHBondContact O-N 3.15Å; I215-K217 VanDerWaalsContact C-N 3.26Å; I215-K217 PolarHBondContact O-N 3.37Å; I215-E218 WeakPolarHBondContact O-CB 3.35Å; I215-E218 PolarHBondContact O-N 3.22Å; I215-E218 VanDerWaalsContact O-N 3.15Å; I215-F219 HydrophobicContact CG2-CD2 4.08Å; I215-F219 HydrophobicContact CG2-CE2 4.37Å; I215-F219 WeakPolarHBondContact O-CD2 3.34Å; I215-F219 PolarHBondContact O-N 2.65Å; I215-F219 VanDerWaalsContact O-N 3.08Å
216	A	92.7	Very high	94.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-64.3	-32	179.1	0	0	0	0	0	112	R212 L213 K214 G220 D221 A224 Q225	R212-A216 WeakPolarHBondContact O-CB 3.29Å; R212-A216 PolarHBondContact O-N 3.34Å; L213-A216 PolarHBondContact O-N 3.2Å; K214-A216 VanDerWaalsContact C-N 3.33Å; K214-A216 PolarHBondContact O-N 3.47Å; A216-G220 PolarHBondContact O-N 3.39Å; A216-D221 HydrophobicContact CB-CB 4.38Å; A216-D221 PolarHBondContact O-N 3.15Å; A216-A224 HydrophobicContact CB-CB 4.14Å; A216-Q225 HydrophobicContact CB-CB 4.39Å; A216-Q225 HydrophobicContact CB-CG 3.57Å; A216-Q225 PolarHBondContact O-NE2 3.44Å
217	K	95.7	Very high	93.8	Very high	104 Å²	104	48.8 Å²	48.8	45%	0.452	23%	0.234	S	C	.	.	H	α-helix	trans	-73.3	-39.2	170.7	-71.3	-175.4	179.3	-172.5	0	112.4	L213 K214 I215 F219 G220 Q225	L213-K217 WeakPolarHBondContact O-CG 3.24Å; L213-K217 PolarHBondContact O-N 3.4Å; K214-K217 PolarHBondContact O-N 3.04Å; I215-K217 VanDerWaalsContact C-N 3.26Å; I215-K217 PolarHBondContact O-N 3.37Å; K217-F219 VanDerWaalsContact C-N 3.28Å; K217-F219 PolarHBondContact O-N 2.72Å; K217-G220 PolarHBondContact O-N 2.88Å; K217-Q225 HydrophobicContact CG-CG 3.85Å
218	E	95.7	Very high	93.5	Very high	101 Å²	101	42.8 Å²	42.8	47%	0.472	21%	0.207	S	C	.	.	H	α-helix	trans	-59.1	-34.6	174.7	-72.9	164.1	-159	0	0	113.1	R182 K214 I215	R182-E218 IonicContact CZ-OE1 2.74Å; R182-E218 IonicContact CZ-OE2 3.12Å; R182-E218 VanDerWaalsContact CZ-OE2 3.3Å; R182-E218 IonicContact NE-OE1 3.18Å; R182-E218 IonicContact NE-OE2 2.71Å; R182-E218 PolarHBondContact NE-OE2 3.25Å; R182-E218 VanDerWaalsContact NH2-CD 3.29Å; R182-E218 IonicContact NH2-OE1 2.78Å; R182-E218 PolarHBondContact NH2-OE1 2.77Å; R182-E218 IonicContact NH2-OE2 3.2Å; R182-E218 PolarHBondContact NH2-OE2 3.33Å; K214-E218 WeakPolarHBondContact CG-OE1 3.48Å; K214-E218 WeakPolarHBondContact O-CG 3.43Å; K214-E218 PolarHBondContact O-N 3.5Å; I215-E218 WeakPolarHBondContact O-CB 3.35Å; I215-E218 PolarHBondContact O-N 3.22Å; I215-E218 VanDerWaalsContact O-N 3.15Å
219	F	91.2	Very high	93.5	Very high	120 Å²	120	42.2 Å²	42.2	53%	0.526	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-3.5	179.1	-78.6	-91	0	0	0	114.9	R182 P183 I215 K217 D221	R182-F219 HydrophobicContact CB-CE2 3.94Å; R182-F219 HydrophobicContact CB-CZ 4.15Å; R182-F219 HydrophobicContact CG-CE2 3.74Å; R182-F219 HydrophobicContact CG-CZ 4.41Å; P183-F219 HydrophobicContact CG-CE1 3.9Å; P183-F219 HydrophobicContact CG-CE2 4.28Å; P183-F219 HydrophobicContact CG-CZ 3.68Å; I215-F219 HydrophobicContact CG2-CD2 4.08Å; I215-F219 HydrophobicContact CG2-CE2 4.37Å; I215-F219 WeakPolarHBondContact O-CD2 3.34Å; I215-F219 PolarHBondContact O-N 2.65Å; I215-F219 VanDerWaalsContact O-N 3.08Å; K217-F219 VanDerWaalsContact C-N 3.28Å; K217-F219 PolarHBondContact O-N 2.72Å; F219-D221 HydrophobicContact CB-CB 4.38Å; F219-D221 PolarHBondContact O-N 3.32Å
220	G	91.2	Very high	93.2	Very high	48 Å²	48	42.6 Å²	42.6	50%	0.495	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	11.8	-173.5	0	0	0	0	0	114.8	A216 K217 L222	A216-G220 PolarHBondContact O-N 3.39Å; K217-G220 PolarHBondContact O-N 2.88Å; G220-L222 PolarHBondContact O-N 3.24Å
221	D	88.8	Confident	92.9	Very high	39 Å²	39	37.5 Å²	37.5	21%	0.209	19%	0.188	C	C	.	.			trans	-68.6	87.8	-178.8	170.6	5.3	0	0	0	110.6	R212 A216 F219 A224 Q225	R212-D221 IonicContact CZ-OD2 2.75Å; R212-D221 IonicContact NH1-OD2 3.14Å; R212-D221 PolarHBondContact NH1-OD2 3.06Å; R212-D221 IonicContact NH2-OD2 3.69Å; R212-D221 PolarHBondContact NH2-OD2 2.67Å; A216-D221 HydrophobicContact CB-CB 4.38Å; A216-D221 PolarHBondContact O-N 3.15Å; F219-D221 HydrophobicContact CB-CB 4.38Å; F219-D221 PolarHBondContact O-N 3.32Å; D221-A224 VanDerWaalsContact CG-CB 3.41Å; D221-A224 VanDerWaalsContact OD1-CB 3.26Å; D221-A224 WeakPolarHBondContact OD1-CB 3.35Å; D221-A224 PolarHBondContact OD1-N 3Å; D221-A224 WeakPolarHBondContact OD2-CB 3.03Å; D221-Q225 VanDerWaalsContact O-CG 3.22Å; D221-Q225 WeakPolarHBondContact O-CG 3.46Å; D221-Q225 PolarHBondContact O-N 3.05Å; D221-Q225 PolarHBondContact O-NE2 3.24Å
222	L	90.8	Very high	92.8	Very high	48 Å²	48	34.4 Å²	34.4	25%	0.251	17%	0.173	S	C	.	.	H	α-helix	trans	-66	-36	-176.9	-60.8	-176	0	0	0	112.5	G220 Q225 R226 L255 L259	G220-L222 PolarHBondContact O-N 3.24Å; L222-Q225 PolarHBondContact O-N 2.92Å; L222-R226 WeakPolarHBondContact O-CB 3.4Å; L222-R226 PolarHBondContact O-N 2.97Å; L222-L255 HydrophobicContact CD2-CD2 4.08Å; L222-L259 HydrophobicContact CB-CD2 3.97Å; L222-L259 HydrophobicContact CB-CG 4.4Å
223	T	88.4	Confident	92.5	Very high	20 Å²	20	32.9 Å²	32.9	12%	0.123	17%	0.168	C	C	.	.	H	α-helix	trans	-67.3	-38.3	-176.5	-44.7	0	0	0	0	111.4	R226 R227 E786	T223-R226 WeakPolarHBondContact O-CB 3.47Å; T223-R226 PolarHBondContact O-NE 3.35Å; T223-R226 PolarHBondContact O-NH2 3.32Å; T223-R227 PolarHBondContact O-N 3.33Å; T223-E786 VanDerWaalsContact C-OE2 3.25Å; T223-E786 WeakPolarHBondContact CB-OE2 3.02Å; T223-E786 HydrophobicContact CG2-CB 3.82Å; T223-E786 HydrophobicContact CG2-CG 3.9Å; T223-E786 VanDerWaalsContact CG2-OE2 3.3Å; T223-E786 WeakPolarHBondContact CG2-OE2 3.06Å
224	A	86.5	Confident	92	Very high	1 Å²	1	33 Å²	33	1%	0.008	17%	0.168	C	C	.	.	H	α-helix	trans	-85.5	-23.2	173.3	0	0	0	0	0	114.3	A216 D221 R226 R227 A228 E786	A216-A224 HydrophobicContact CB-CB 4.14Å; D221-A224 VanDerWaalsContact CG-CB 3.41Å; D221-A224 VanDerWaalsContact OD1-CB 3.26Å; D221-A224 WeakPolarHBondContact OD1-CB 3.35Å; D221-A224 PolarHBondContact OD1-N 3Å; D221-A224 WeakPolarHBondContact OD2-CB 3.03Å; A224-R226 VanDerWaalsContact C-N 3.29Å; A224-R227 PolarHBondContact O-N 2.9Å; A224-A228 VanDerWaalsContact O-CB 3.29Å; A224-A228 WeakPolarHBondContact O-CB 3.49Å; A224-A228 PolarHBondContact O-N 2.93Å; A224-E786 PolarHBondContact N-OE2 3.07Å
225	Q	94.1	Very high	91.4	Very high	17 Å²	17	28.6 Å²	28.6	8%	0.079	15%	0.149	C	C	.	.	H	α-helix	trans	-57.7	-47.9	163.9	-75.6	170.7	60.3	0	0	109.3	L213 A216 K217 D221 L222 R227 A228 H229 L255	L213-Q225 HydrophobicContact CD1-CB 4.1Å; L213-Q225 HydrophobicContact CD1-CG 4.04Å; A216-Q225 HydrophobicContact CB-CB 4.39Å; A216-Q225 HydrophobicContact CB-CG 3.57Å; A216-Q225 PolarHBondContact O-NE2 3.44Å; K217-Q225 HydrophobicContact CG-CG 3.85Å; D221-Q225 VanDerWaalsContact O-CG 3.22Å; D221-Q225 WeakPolarHBondContact O-CG 3.46Å; D221-Q225 PolarHBondContact O-N 3.05Å; D221-Q225 PolarHBondContact O-NE2 3.24Å; L222-Q225 PolarHBondContact O-N 2.92Å; Q225-R227 PolarHBondContact O-N 3.33Å; Q225-A228 PolarHBondContact O-N 3.29Å; Q225-H229 WeakPolarHBondContact O-CB 3.4Å; Q225-H229 PolarHBondContact O-CD2 3.38Å; Q225-H229 PolarHBondContact O-N 3.49Å; Q225-L255 HydrophobicContact CB-CD1 3.79Å
226	R	95.5	Very high	91.4	Very high	12 Å²	12	29.6 Å²	29.6	5%	0.045	15%	0.153	C	C	.	.	H	α-helix	trans	-56.6	-49	173.8	173.2	-72.5	-44.7	-169.1	-2.8	111.6	L222 T223 A224 H229 S230 L255 L259 L264 D790	L222-R226 WeakPolarHBondContact O-CB 3.4Å; L222-R226 PolarHBondContact O-N 2.97Å; T223-R226 WeakPolarHBondContact O-CB 3.47Å; T223-R226 PolarHBondContact O-NE 3.35Å; T223-R226 PolarHBondContact O-NH2 3.32Å; A224-R226 VanDerWaalsContact C-N 3.29Å; R226-H229 PolarHBondContact O-N 2.92Å; R226-S230 WeakPolarHBondContact O-CB 3.23Å; R226-S230 PolarHBondContact O-N 2.9Å; R226-L255 HydrophobicContact CB-CB 3.86Å; R226-L255 HydrophobicContact CB-CD1 4.35Å; R226-L255 HydrophobicContact CG-CB 4.46Å; R226-L259 HydrophobicContact CB-CD1 4.33Å; R226-L264 HydrophobicContact CG-CD1 4.5Å; R226-D790 IonicContact CZ-OD1 3.75Å; R226-D790 IonicContact NH1-OD1 3.01Å; R226-D790 PolarHBondContact NH1-OD1 2.93Å; R226-D790 VanDerWaalsContact NH1-OD1 3.09Å; R226-D790 IonicContact NH2-OD1 3.47Å; R226-D790 PolarHBondContact NH2-OD1 3.2Å; R226-D790 IonicContact NH2-OD2 3.87Å; R226-D790 PolarHBondContact NH2-OD2 2.99Å; R226-D790 VanDerWaalsContact NH2-OD2 3.15Å
227	R	87.9	Confident	91.1	Very high	27 Å²	27	31.5 Å²	31.5	10%	0.102	16%	0.163	C	C	.	.	H	α-helix	trans	-61.2	-46.9	178.8	-172.8	-175.9	-71.2	108.6	3.2	111.6	T223 A224 Q225 S230 N231 E786 D790 E793	T223-R227 PolarHBondContact O-N 3.33Å; A224-R227 PolarHBondContact O-N 2.9Å; Q225-R227 PolarHBondContact O-N 3.33Å; R227-S230 PolarHBondContact O-N 3.23Å; R227-N231 WeakPolarHBondContact O-CB 3.48Å; R227-N231 PolarHBondContact O-N 3.34Å; R227-N231 PolarHBondContact O-OD1 3.24Å; R227-E786 IonicContact CZ-OE1 3.74Å; R227-E786 IonicContact CZ-OE2 2.76Å; R227-E786 IonicContact NH1-OE1 3.7Å; R227-E786 PolarHBondContact NH1-OE1 3.3Å; R227-E786 IonicContact NH1-OE2 3.13Å; R227-E786 PolarHBondContact NH1-OE2 3.44Å; R227-E786 IonicContact NH2-OE1 2.75Å; R227-E786 IonicContact NH2-OE2 2.96Å; R227-E786 PolarHBondContact NH2-OE2 2.95Å; R227-D790 IonicContact CZ-OD1 3.21Å; R227-D790 IonicContact NE-OD1 2.75Å; R227-D790 IonicContact NH2-OD1 3.01Å; R227-D790 PolarHBondContact NH2-OD1 3.29Å; R227-D790 IonicContact NH2-OD2 3.84Å; R227-D790 PolarHBondContact NH2-OD2 3.15Å; R227-E793 WeakPolarHBondContact CD-OE2 3.44Å; R227-E793 IonicContact CZ-OE2 2.75Å; R227-E793 IonicContact NE-OE2 3.3Å; R227-E793 PolarHBondContact NE-OE2 3.08Å
228	A	91.9	Very high	90.6	Very high	4 Å²	4	31.7 Å²	31.7	3%	0.033	16%	0.164	C	C	.	.	H	α-helix	trans	-65	-42.1	-179.6	0	0	0	0	0	112	L213 A224 Q225 N231 I232	L213-A228 HydrophobicContact CB-CB 3.82Å; L213-A228 HydrophobicContact CD1-CB 4.21Å; A224-A228 VanDerWaalsContact O-CB 3.29Å; A224-A228 WeakPolarHBondContact O-CB 3.49Å; A224-A228 PolarHBondContact O-N 2.93Å; Q225-A228 PolarHBondContact O-N 3.29Å; A228-N231 PolarHBondContact O-N 3.02Å; A228-I232 WeakPolarHBondContact O-CB 3.29Å; A228-I232 WeakPolarHBondContact O-CD1 3.38Å; A228-I232 WeakPolarHBondContact O-CG1 3.29Å; A228-I232 PolarHBondContact O-N 3.3Å
229	H	97	Very high	90.2	Very high	5 Å²	5	29.6 Å²	29.6	2%	0.023	16%	0.156	C	C	.	.	H	α-helix	trans	-60.7	-48	172.6	-89.4	-90.9	0	0	0	111.9	L213 Q225 R226 N231 I232 G233 H248 E251 A252	L213-H229 WeakPolarHBondContact CD1-CD2 3.33Å; L213-H229 WeakPolarHBondContact CD2-NE2 3.29Å; Q225-H229 WeakPolarHBondContact O-CB 3.4Å; Q225-H229 PolarHBondContact O-CD2 3.38Å; Q225-H229 PolarHBondContact O-N 3.49Å; R226-H229 PolarHBondContact O-N 2.92Å; H229-N231 PolarHBondContact O-N 3.22Å; H229-I232 PolarHBondContact O-N 3.36Å; H229-G233 PolarHBondContact O-N 2.93Å; H229-H248 WeakPolarHBondContact CB-O 3.5Å; H229-H248 AromaticContact CE1-ND1 3.86Å; H229-H248 AromaticContact ND1-ND1 3.23Å; H229-H248 PolarHBondContact ND1-ND1 3.25Å; H229-E251 HydrophobicContact CB-CB 4.44Å; H229-E251 WeakPolarHBondContact CE1-CB 3.37Å; H229-E251 IonicContact CE1-OE1 2.67Å; H229-E251 IonicContact CE1-OE2 2.84Å; H229-E251 WeakPolarHBondContact ND1-CB 3.48Å; H229-E251 IonicContact NE2-OE2 2.89Å; H229-A252 HydrophobicContact CB-CB 4.16Å
230	S	92	Very high	90.2	Very high	13 Å²	13	26.9 Å²	26.9	9%	0.091	16%	0.156	C	C	.	.	H	α-helix	trans	-57.7	-44.8	176.2	-179.6	0	0	0	0	112.6	R226 R227 G233 N234	R226-S230 WeakPolarHBondContact O-CB 3.23Å; R226-S230 PolarHBondContact O-N 2.9Å; R227-S230 PolarHBondContact O-N 3.23Å; S230-G233 PolarHBondContact O-N 3Å; S230-N234 PolarHBondContact O-N 3.32Å; S230-N234 PolarHBondContact O-ND2 3.34Å; S230-N234 PolarHBondContact O-OD1 3.45Å
231	N	91.6	Very high	90.3	Very high	19 Å²	19	27.9 Å²	27.9	10%	0.102	15%	0.15	C	C	.	.	H	α-helix	trans	-76.3	-27.8	-176.9	-67.9	6.2	0	0	0	112.9	N194 Y209 R227 A228 H229 A235	N194-N231 PolarHBondContact OD1-ND2 3.29Å; Y209-N231 HydrophobicContact CD1-CB 3.95Å; Y209-N231 HydrophobicContact CD2-CB 4.25Å; Y209-N231 HydrophobicContact CE1-CB 3.55Å; Y209-N231 HydrophobicContact CE2-CB 3.88Å; Y209-N231 WeakPolarHBondContact CE2-O 3.07Å; Y209-N231 HydrophobicContact CG-CB 4.32Å; R227-N231 WeakPolarHBondContact O-CB 3.48Å; R227-N231 PolarHBondContact O-N 3.34Å; R227-N231 PolarHBondContact O-OD1 3.24Å; A228-N231 PolarHBondContact O-N 3.02Å; H229-N231 PolarHBondContact O-N 3.22Å; N231-A235 PolarHBondContact O-N 3.22Å; N231-A235 VanDerWaalsContact O-N 3.09Å
232	I	95.8	Very high	90.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-67.4	-43.3	167.2	-66.3	162	0	0	0	110.4	I206 Y209 R210 L213 A228 H229 N234 A235 F236 H248	I206-I232 HydrophobicContact CG1-CG2 4.43Å; I206-I232 HydrophobicContact CG2-CG2 4.35Å; Y209-I232 HydrophobicContact CD2-CG1 4.09Å; Y209-I232 HydrophobicContact CG-CG1 4.09Å; R210-I232 HydrophobicContact CG-CD1 4Å; L213-I232 HydrophobicContact CD2-CD1 4.2Å; A228-I232 WeakPolarHBondContact O-CB 3.29Å; A228-I232 WeakPolarHBondContact O-CD1 3.38Å; A228-I232 WeakPolarHBondContact O-CG1 3.29Å; A228-I232 PolarHBondContact O-N 3.3Å; H229-I232 PolarHBondContact O-N 3.36Å; I232-N234 PolarHBondContact O-N 3.21Å; I232-A235 PolarHBondContact O-N 3.03Å; I232-F236 HydrophobicContact CG2-CD2 3.55Å; I232-F236 HydrophobicContact CG2-CE2 3.39Å; I232-F236 WeakPolarHBondContact O-CD2 3.46Å; I232-F236 PolarHBondContact O-N 3.34Å; I232-H248 HydrophobicContact CG2-CB 4.4Å; I232-H248 VanDerWaalsContact CG2-CD2 3.46Å; I232-H248 WeakPolarHBondContact CG2-CD2 3.26Å; I232-H248 WeakPolarHBondContact CG2-NE2 3.29Å
233	G	89.8	Confident	90.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-55.9	-49.9	174	0	0	0	0	0	111.7	H229 S230 A235 F236 I237	H229-G233 PolarHBondContact O-N 2.93Å; S230-G233 PolarHBondContact O-N 3Å; G233-A235 VanDerWaalsContact C-N 3.33Å; G233-A235 PolarHBondContact O-N 3.46Å; G233-F236 PolarHBondContact O-N 2.9Å; G233-F236 VanDerWaalsContact O-N 3.12Å; G233-I237 PolarHBondContact O-N 2.92Å
234	N	85.6	Confident	90.9	Very high	22 Å²	22	31.2 Å²	31.2	12%	0.118	17%	0.167	C	C	.	.	H	α-helix	trans	-54.4	-46.8	174.8	-66.6	-18.1	0	0	0	112	Y197 S230 I232 F236 I237 F238 Y249	Y197-N234 HydrophobicContact CE2-CB 4.01Å; S230-N234 PolarHBondContact O-N 3.32Å; S230-N234 PolarHBondContact O-ND2 3.34Å; S230-N234 PolarHBondContact O-OD1 3.45Å; I232-N234 PolarHBondContact O-N 3.21Å; N234-F236 VanDerWaalsContact C-N 3.35Å; N234-F236 PolarHBondContact O-N 3.29Å; N234-I237 PolarHBondContact O-N 2.98Å; N234-F238 WeakPolarHBondContact O-CD2 3.23Å; N234-F238 PolarHBondContact O-N 3.23Å; N234-Y249 WeakPolarHBondContact CA-OH 3.37Å; N234-Y249 PolarHBondContact N-OH 3.11Å; N234-Y249 WeakPolarHBondContact OD1-CE1 3.45Å; N234-Y249 PolarHBondContact OD1-OH 2.89Å
235	A	84.6	Confident	91	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-66.2	-33.9	179.3	0	0	0	0	0	113.1	Y197 F202 I206 N231 I232 G233 F238 L239	Y197-A235 HydrophobicContact CD2-CB 4.2Å; Y197-A235 HydrophobicContact CE2-CB 4.47Å; F202-A235 HydrophobicContact CB-CB 4.48Å; I206-A235 HydrophobicContact CD1-CB 3.79Å; I206-A235 HydrophobicContact CG1-CB 3.5Å; I206-A235 VanDerWaalsContact CG1-CB 3.5Å; N231-A235 PolarHBondContact O-N 3.22Å; N231-A235 VanDerWaalsContact O-N 3.09Å; I232-A235 PolarHBondContact O-N 3.03Å; G233-A235 VanDerWaalsContact C-N 3.33Å; G233-A235 PolarHBondContact O-N 3.46Å; A235-F238 PolarHBondContact O-N 3.14Å; A235-L239 PolarHBondContact O-N 2.91Å
236	F	93.3	Very high	90.9	Very high	21 Å²	21	30.6 Å²	30.6	9%	0.092	17%	0.165	C	C	.	.	H	α-helix	trans	-69.9	-32.9	174.6	-82.4	-57	0	0	0	113.5	I206 I232 G233 N234 F238 L239 A240 D241 A244 A245 H248	I206-F236 HydrophobicContact CD1-CD1 3.84Å; I206-F236 HydrophobicContact CD1-CD2 4.31Å; I206-F236 HydrophobicContact CD1-CE1 3.81Å; I206-F236 HydrophobicContact CD1-CE2 4.27Å; I206-F236 HydrophobicContact CD1-CG 4.1Å; I206-F236 HydrophobicContact CD1-CZ 4.02Å; I206-F236 HydrophobicContact CG2-CE2 4.43Å; I206-F236 HydrophobicContact CG2-CZ 4.21Å; I232-F236 HydrophobicContact CG2-CD2 3.55Å; I232-F236 HydrophobicContact CG2-CE2 3.39Å; I232-F236 WeakPolarHBondContact O-CD2 3.46Å; I232-F236 PolarHBondContact O-N 3.34Å; G233-F236 PolarHBondContact O-N 2.9Å; G233-F236 VanDerWaalsContact O-N 3.12Å; N234-F236 VanDerWaalsContact C-N 3.35Å; N234-F236 PolarHBondContact O-N 3.29Å; F236-F238 VanDerWaalsContact C-N 3.31Å; F236-F238 PolarHBondContact O-N 3.09Å; F236-L239 HydrophobicContact CD1-CD1 4.32Å; F236-L239 CarbonylContact O-C 3.43Å; F236-L239 PolarHBondContact O-N 2.89Å; F236-L239 VanDerWaalsContact O-N 3.15Å; F236-A240 PolarHBondContact O-N 3.21Å; F236-A240 VanDerWaalsContact O-N 3.1Å; F236-D241 HydrophobicContact CD1-CB 3.94Å; F236-D241 PolarHBondContact O-N 3.07Å; F236-A244 HydrophobicContact CB-CB 4.28Å; F236-A244 HydrophobicContact CD1-CB 3.71Å; F236-A244 HydrophobicContact CD2-CB 3.68Å; F236-A244 HydrophobicContact CE1-CB 3.83Å; F236-A244 HydrophobicContact CE2-CB 3.8Å; F236-A244 HydrophobicContact CG-CB 3.64Å; F236-A244 HydrophobicContact CZ-CB 3.87Å; F236-A245 HydrophobicContact CB-CB 3.9Å; F236-H248 AromaticContact CD2-CD2 3.89Å; F236-H248 AromaticContact CE2-CD2 3.66Å; F236-H248 AromaticContact CE2-NE2 3.87Å
237	I	86.3	Confident	90.9	Very high	40 Å²	40	35 Å²	35	21%	0.205	19%	0.186	C	C	.	.	H	α-helix	trans	-57.5	-44.9	170.9	-64.5	-59.8	0	0	0	111	G233 N234 L239 A240 F242 A245 Y249 T275 L278	G233-I237 PolarHBondContact O-N 2.92Å; N234-I237 PolarHBondContact O-N 2.98Å; I237-L239 VanDerWaalsContact C-N 3.3Å; I237-L239 PolarHBondContact O-N 2.84Å; I237-A240 WeakPolarHBondContact O-CA 3.47Å; I237-A240 PolarHBondContact O-N 3.3Å; I237-F242 HydrophobicContact CD1-CD1 3.97Å; I237-A245 HydrophobicContact CD1-CB 3.43Å; I237-A245 VanDerWaalsContact CD1-CB 3.43Å; I237-A245 HydrophobicContact CG1-CB 3.86Å; I237-Y249 HydrophobicContact CD1-CE2 4.14Å; I237-Y249 HydrophobicContact CG1-CE2 3.92Å; I237-T275 HydrophobicContact CD1-CG2 3.67Å; I237-L278 HydrophobicContact CD1-CD1 4.48Å; I237-L278 HydrophobicContact CG2-CD1 4.47Å
238	F	84.2	Confident	91.2	Very high	108 Å²	108	35.1 Å²	35.1	47%	0.474	19%	0.188	S	C	.	.	H	α-helix	trans	-72.4	-19.4	178.1	-79.9	-83.1	0	0	0	114.2	Y197 F202 N234 A235 F236 A240	Y197-F238 HydrophobicContact CE2-CD2 4.08Å; Y197-F238 HydrophobicContact CE2-CE2 4.43Å; Y197-F238 VanDerWaalsContact OH-CE2 3.29Å; Y197-F238 WeakPolarHBondContact OH-CE2 3.44Å; F202-F238 HydrophobicContact CD1-CB 3.82Å; F202-F238 HydrophobicContact CD1-CG 4.43Å; F202-F238 HydrophobicContact CD2-CB 3.89Å; F202-F238 HydrophobicContact CE1-CB 3.56Å; F202-F238 HydrophobicContact CE1-CD1 4.26Å; F202-F238 HydrophobicContact CE1-CD2 4.19Å; F202-F238 AromaticContact CE1-CG 3.75Å; F202-F238 HydrophobicContact CE1-CG 3.75Å; F202-F238 HydrophobicContact CE2-CB 3.64Å; F202-F238 HydrophobicContact CE2-CD1 4.36Å; F202-F238 HydrophobicContact CE2-CG 4.27Å; F202-F238 HydrophobicContact CG-CB 3.98Å; F202-F238 HydrophobicContact CZ-CB 3.47Å; F202-F238 VanDerWaalsContact CZ-CB 3.47Å; F202-F238 AromaticContact CZ-CD1 3.76Å; F202-F238 HydrophobicContact CZ-CD1 3.76Å; F202-F238 HydrophobicContact CZ-CD2 4.49Å; F202-F238 AromaticContact CZ-CG 3.65Å; F202-F238 HydrophobicContact CZ-CG 3.65Å; N234-F238 WeakPolarHBondContact O-CD2 3.23Å; N234-F238 PolarHBondContact O-N 3.23Å; A235-F238 PolarHBondContact O-N 3.14Å; F236-F238 VanDerWaalsContact C-N 3.31Å; F236-F238 PolarHBondContact O-N 3.09Å; F238-A240 VanDerWaalsContact C-N 3.31Å
239	L	88.9	Confident	91.3	Very high	58 Å²	58	35.4 Å²	35.4	30%	0.304	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-0.8	167.5	-68.8	176.2	0	0	0	113.5	F202 T203 I206 A235 F236 I237 D241	F202-L239 HydrophobicContact CB-CD1 4.19Å; F202-L239 HydrophobicContact CB-CD2 3.95Å; F202-L239 HydrophobicContact CB-CG 3.82Å; F202-L239 HydrophobicContact CD2-CD2 4.36Å; T203-L239 HydrophobicContact CG2-CD1 4.48Å; I206-L239 HydrophobicContact CD1-CD1 3.57Å; A235-L239 PolarHBondContact O-N 2.91Å; F236-L239 HydrophobicContact CD1-CD1 4.32Å; F236-L239 CarbonylContact O-C 3.43Å; F236-L239 PolarHBondContact O-N 2.89Å; F236-L239 VanDerWaalsContact O-N 3.15Å; I237-L239 VanDerWaalsContact C-N 3.3Å; I237-L239 PolarHBondContact O-N 2.84Å; L239-D241 PolarHBondContact O-N 2.85Å
240	A	90	Very high	91.2	Very high	62 Å²	62	40.3 Å²	40.3	51%	0.512	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	20.3	-172.8	0	0	0	0	0	115.4	F236 I237 F238 F242	F236-A240 PolarHBondContact O-N 3.21Å; F236-A240 VanDerWaalsContact O-N 3.1Å; I237-A240 WeakPolarHBondContact O-CA 3.47Å; I237-A240 PolarHBondContact O-N 3.3Å; F238-A240 VanDerWaalsContact C-N 3.31Å; A240-F242 VanDerWaalsContact C-N 3.34Å; A240-F242 HydrophobicContact CB-CE1 4.18Å; A240-F242 HydrophobicContact CB-CE2 4.45Å; A240-F242 HydrophobicContact CB-CZ 3.87Å; A240-F242 PolarHBondContact O-N 3.4Å
241	D	94.4	Very high	91.3	Very high	69 Å²	69	43.2 Å²	43.2	37%	0.369	22%	0.219	S	C	.	.			trans	-89.7	74.5	169.5	-168.6	-15.6	0	0	0	109.6	F236 L239 N243 A244 A245	F236-D241 HydrophobicContact CD1-CB 3.94Å; F236-D241 PolarHBondContact O-N 3.07Å; L239-D241 PolarHBondContact O-N 2.85Å; D241-N243 PolarHBondContact O-N 3.47Å; D241-N243 PolarHBondContact OD1-N 3.09Å; D241-A244 HydrophobicContact CB-CB 4.17Å; D241-A244 VanDerWaalsContact CG-CB 3.44Å; D241-A244 PolarHBondContact O-N 2.89Å; D241-A244 WeakPolarHBondContact OD1-CB 3.42Å; D241-A244 PolarHBondContact OD1-N 2.85Å; D241-A244 WeakPolarHBondContact OD2-CB 3.5Å; D241-A245 PolarHBondContact O-N 2.73Å
242	F	90	Very high	91.2	Very high	50 Å²	50	42.4 Å²	42.4	22%	0.219	21%	0.214	C	C	.	.	H	α-helix	trans	-64.4	-24	-176.4	-49.2	-48.4	0	0	0	112.8	I237 A240 V246 T275 L278 L279	I237-F242 HydrophobicContact CD1-CD1 3.97Å; A240-F242 VanDerWaalsContact C-N 3.34Å; A240-F242 HydrophobicContact CB-CE1 4.18Å; A240-F242 HydrophobicContact CB-CE2 4.45Å; A240-F242 HydrophobicContact CB-CZ 3.87Å; A240-F242 PolarHBondContact O-N 3.4Å; F242-V246 WeakPolarHBondContact O-CG2 3.07Å; F242-V246 PolarHBondContact O-N 3.48Å; F242-T275 HydrophobicContact CB-CG2 3.98Å; F242-T275 WeakPolarHBondContact O-CG2 3.06Å; F242-L278 HydrophobicContact CD1-CB 4.09Å; F242-L278 HydrophobicContact CD1-CD1 4.02Å; F242-L278 HydrophobicContact CD2-CB 4.02Å; F242-L278 HydrophobicContact CE1-CB 4.14Å; F242-L278 HydrophobicContact CE1-CD1 3.77Å; F242-L278 HydrophobicContact CE1-CG 4.46Å; F242-L278 HydrophobicContact CE2-CB 4.06Å; F242-L278 HydrophobicContact CG-CB 4.05Å; F242-L278 HydrophobicContact CZ-CB 4.12Å; F242-L278 HydrophobicContact CZ-CD1 4.33Å; F242-L279 HydrophobicContact CB-CD2 3.7Å; F242-L279 HydrophobicContact CB-CG 3.77Å
243	N	95.6	Very high	91	Very high	106 Å²	106	42.6 Å²	42.6	57%	0.567	22%	0.215	S	C	*	.	H	α-helix	trans	-71.2	-48.8	175.6	-67.1	-64.7	0	0	0	110.9	D241 A245 V246 E247	D241-N243 PolarHBondContact O-N 3.47Å; D241-N243 PolarHBondContact OD1-N 3.09Å; N243-A245 PolarHBondContact O-N 3.34Å; N243-V246 PolarHBondContact O-N 2.71Å; N243-E247 PolarHBondContact O-N 3.02Å
244	A	94.9	Very high	91.1	Very high	21 Å²	21	44.8 Å²	44.8	17%	0.174	23%	0.226	C	C	.	.	H	α-helix	trans	-62.2	-33.4	174.3	0	0	0	0	0	112.1	F236 D241 H248	F236-A244 HydrophobicContact CB-CB 4.28Å; F236-A244 HydrophobicContact CD1-CB 3.71Å; F236-A244 HydrophobicContact CD2-CB 3.68Å; F236-A244 HydrophobicContact CE1-CB 3.83Å; F236-A244 HydrophobicContact CE2-CB 3.8Å; F236-A244 HydrophobicContact CG-CB 3.64Å; F236-A244 HydrophobicContact CZ-CB 3.87Å; D241-A244 HydrophobicContact CB-CB 4.17Å; D241-A244 VanDerWaalsContact CG-CB 3.44Å; D241-A244 PolarHBondContact O-N 2.89Å; D241-A244 WeakPolarHBondContact OD1-CB 3.42Å; D241-A244 PolarHBondContact OD1-N 2.85Å; D241-A244 WeakPolarHBondContact OD2-CB 3.5Å; A244-H248 PolarHBondContact O-CD2 3.35Å; A244-H248 PolarHBondContact O-N 2.71Å
245	A	88.3	Confident	91.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.7	-45.2	173.3	0	0	0	0	0	112.9	F236 I237 D241 N243 E247 H248 Y249 T275	F236-A245 HydrophobicContact CB-CB 3.9Å; I237-A245 HydrophobicContact CD1-CB 3.43Å; I237-A245 VanDerWaalsContact CD1-CB 3.43Å; I237-A245 HydrophobicContact CG1-CB 3.86Å; D241-A245 PolarHBondContact O-N 2.73Å; N243-A245 PolarHBondContact O-N 3.34Å; A245-E247 PolarHBondContact O-N 3.18Å; A245-H248 PolarHBondContact O-N 2.78Å; A245-Y249 HydrophobicContact CB-CD2 4.34Å; A245-Y249 HydrophobicContact CB-CE2 4.1Å; A245-Y249 WeakPolarHBondContact O-CD2 3.17Å; A245-Y249 PolarHBondContact O-N 3.05Å; A245-T275 HydrophobicContact CB-CG2 4.19Å
246	V	91.6	Very high	91.4	Very high	6 Å²	6	43.9 Å²	43.9	4%	0.036	22%	0.221	C	C	.	.	H	α-helix	trans	-55.9	-49.3	176	162	0	0	0	0	111.6	F242 N243 H248 Y249 R250 L272 T275 Y276 L279	F242-V246 WeakPolarHBondContact O-CG2 3.07Å; F242-V246 PolarHBondContact O-N 3.48Å; N243-V246 PolarHBondContact O-N 2.71Å; V246-H248 VanDerWaalsContact C-N 3.33Å; V246-H248 PolarHBondContact O-N 2.76Å; V246-Y249 PolarHBondContact O-N 2.69Å; V246-R250 HydrophobicContact CG1-CG 4.24Å; V246-R250 WeakPolarHBondContact O-CB 3.37Å; V246-R250 WeakPolarHBondContact O-CG 3.45Å; V246-R250 PolarHBondContact O-N 3.13Å; V246-L272 HydrophobicContact CB-CD2 4.47Å; V246-L272 HydrophobicContact CG1-CD2 4.22Å; V246-L272 HydrophobicContact CG2-CD2 4.44Å; V246-T275 HydrophobicContact CG2-CG2 3.61Å; V246-Y276 HydrophobicContact CG1-CE2 4.39Å; V246-Y276 WeakPolarHBondContact CG1-OH 3.45Å; V246-Y276 HydrophobicContact CG2-CE1 4.26Å; V246-Y276 HydrophobicContact CG2-CE2 4.26Å; V246-L279 HydrophobicContact CG2-CD1 3.66Å
247	E	95.1	Very high	91.1	Very high	103 Å²	103	44.3 Å²	44.3	48%	0.481	23%	0.225	S	C	.	.	H	α-helix	trans	-62.5	-41.4	-178.2	-63.6	-59.9	89.8	0	0	111.8	N243 A245 R250 E251	N243-E247 PolarHBondContact O-N 3.02Å; A245-E247 PolarHBondContact O-N 3.18Å; E247-R250 PolarHBondContact O-N 2.92Å; E247-R250 WeakPolarHBondContact OE1-CD 3.38Å; E247-R250 IonicContact OE1-CZ 2.73Å; E247-R250 IonicContact OE1-NE 2.72Å; E247-R250 IonicContact OE1-NH1 3.17Å; E247-R250 PolarHBondContact OE1-NH1 3.2Å; E247-E251 PolarHBondContact O-N 3.36Å
248	H	94.3	Very high	91.3	Very high	31 Å²	31	49.2 Å²	49.2	14%	0.144	24%	0.241	C	C	.	.	H	α-helix	trans	-69.4	-34.5	176.4	-84.7	-73.6	0	0	0	113.3	H229 I232 F236 A244 A245 V246 A252	H229-H248 WeakPolarHBondContact CB-O 3.5Å; H229-H248 AromaticContact CE1-ND1 3.86Å; H229-H248 AromaticContact ND1-ND1 3.23Å; H229-H248 PolarHBondContact ND1-ND1 3.25Å; I232-H248 HydrophobicContact CG2-CB 4.4Å; I232-H248 VanDerWaalsContact CG2-CD2 3.46Å; I232-H248 WeakPolarHBondContact CG2-CD2 3.26Å; I232-H248 WeakPolarHBondContact CG2-NE2 3.29Å; F236-H248 AromaticContact CD2-CD2 3.89Å; F236-H248 AromaticContact CE2-CD2 3.66Å; F236-H248 AromaticContact CE2-NE2 3.87Å; A244-H248 PolarHBondContact O-CD2 3.35Å; A244-H248 PolarHBondContact O-N 2.71Å; A245-H248 PolarHBondContact O-N 2.78Å; V246-H248 VanDerWaalsContact C-N 3.33Å; V246-H248 PolarHBondContact O-N 2.76Å; H248-A252 PolarHBondContact O-N 3.44Å; H248-A252 VanDerWaalsContact O-N 3.14Å
249	Y	93.4	Very high	91.4	Very high	10 Å²	10	46.6 Å²	46.6	4%	0.039	23%	0.232	C	C	.	.	H	α-helix	trans	-75.6	-29.3	173.9	-66.1	-48.6	0	0	0	113.7	N234 I237 A245 V246 A252 L253 T275	N234-Y249 WeakPolarHBondContact CA-OH 3.37Å; N234-Y249 PolarHBondContact N-OH 3.11Å; N234-Y249 WeakPolarHBondContact OD1-CE1 3.45Å; N234-Y249 PolarHBondContact OD1-OH 2.89Å; I237-Y249 HydrophobicContact CD1-CE2 4.14Å; I237-Y249 HydrophobicContact CG1-CE2 3.92Å; A245-Y249 HydrophobicContact CB-CD2 4.34Å; A245-Y249 HydrophobicContact CB-CE2 4.1Å; A245-Y249 WeakPolarHBondContact O-CD2 3.17Å; A245-Y249 PolarHBondContact O-N 3.05Å; V246-Y249 PolarHBondContact O-N 2.69Å; Y249-A252 PolarHBondContact O-N 2.91Å; Y249-L253 WeakPolarHBondContact O-CB 3.37Å; Y249-L253 PolarHBondContact O-N 3Å; Y249-T275 WeakPolarHBondContact CE2-OG1 3.49Å
250	R	94.8	Very high	91.5	Very high	108 Å²	108	50.6 Å²	50.6	41%	0.408	25%	0.247	S	C	.	.	H	α-helix	trans	-62	-47.3	172.2	-81	169.3	165.7	-177.3	-13	111.5	V246 E247 A252 L253 Q254 L272 Y276	V246-R250 HydrophobicContact CG1-CG 4.24Å; V246-R250 WeakPolarHBondContact O-CB 3.37Å; V246-R250 WeakPolarHBondContact O-CG 3.45Å; V246-R250 PolarHBondContact O-N 3.13Å; E247-R250 PolarHBondContact O-N 2.92Å; E247-R250 WeakPolarHBondContact OE1-CD 3.38Å; E247-R250 IonicContact OE1-CZ 2.73Å; E247-R250 IonicContact OE1-NE 2.72Å; E247-R250 IonicContact OE1-NH1 3.17Å; E247-R250 PolarHBondContact OE1-NH1 3.2Å; R250-A252 VanDerWaalsContact C-N 3.35Å; R250-L253 WeakPolarHBondContact O-CB 3.38Å; R250-L253 PolarHBondContact O-N 3.31Å; R250-Q254 WeakPolarHBondContact O-CG 3.46Å; R250-Q254 PolarHBondContact O-N 2.81Å; R250-L272 HydrophobicContact CG-CD1 4.44Å; R250-L272 HydrophobicContact CG-CD2 4.01Å; R250-Y276 PolarHBondContact NE-OH 3.43Å; R250-Y276 PolarHBondContact NH2-OH 3.42Å
251	E	94.4	Very high	91.3	Very high	74 Å²	74	50.6 Å²	50.6	35%	0.346	24%	0.238	S	C	.	.	H	α-helix	trans	-61.6	-41	172.8	-76.7	-105.2	-149	0	0	112	H229 E247 L253 Q254 L255	H229-E251 HydrophobicContact CB-CB 4.44Å; H229-E251 WeakPolarHBondContact CE1-CB 3.37Å; H229-E251 IonicContact CE1-OE1 2.67Å; H229-E251 IonicContact CE1-OE2 2.84Å; H229-E251 WeakPolarHBondContact ND1-CB 3.48Å; H229-E251 IonicContact NE2-OE2 2.89Å; E247-E251 PolarHBondContact O-N 3.36Å; E251-L253 PolarHBondContact O-N 3.38Å; E251-Q254 PolarHBondContact O-N 2.76Å; E251-L255 WeakPolarHBondContact O-CB 3.38Å; E251-L255 WeakPolarHBondContact O-CD1 3.44Å; E251-L255 VanDerWaalsContact O-CG 3.28Å; E251-L255 WeakPolarHBondContact O-CG 3.36Å; E251-L255 PolarHBondContact O-N 3.35Å
252	A	90.5	Very high	91	Very high	2 Å²	2	50.4 Å²	50.4	2%	0.017	24%	0.24	C	C	.	.	H	α-helix	trans	-61	-42.5	173.9	0	0	0	0	0	111.9	H229 H248 Y249 R250 L255 S256	H229-A252 HydrophobicContact CB-CB 4.16Å; H248-A252 PolarHBondContact O-N 3.44Å; H248-A252 VanDerWaalsContact O-N 3.14Å; Y249-A252 PolarHBondContact O-N 2.91Å; R250-A252 VanDerWaalsContact C-N 3.35Å; A252-L255 PolarHBondContact O-N 2.69Å; A252-S256 PolarHBondContact O-N 2.82Å; A252-S256 PolarHBondContact O-OG 2.77Å
253	L	91.4	Very high	90.8	Very high	3 Å²	3	51.5 Å²	51.5	2%	0.016	25%	0.253	C	S	.	.	H	α-helix	trans	-61.8	-49.7	175.6	177.8	61	0	0	0	111.9	Y249 R250 E251 L255 S256 V257 E265 A268 C269 L272 F288 V596	Y249-L253 WeakPolarHBondContact O-CB 3.37Å; Y249-L253 PolarHBondContact O-N 3Å; R250-L253 WeakPolarHBondContact O-CB 3.38Å; R250-L253 PolarHBondContact O-N 3.31Å; E251-L253 PolarHBondContact O-N 3.38Å; L253-L255 VanDerWaalsContact C-N 3.25Å; L253-L255 PolarHBondContact O-N 2.77Å; L253-S256 PolarHBondContact O-N 3.4Å; L253-V257 HydrophobicContact CD1-CG2 4.39Å; L253-V257 WeakPolarHBondContact O-CG2 3.21Å; L253-V257 PolarHBondContact O-N 2.99Å; L253-E265 HydrophobicContact CD1-CB 4.48Å; L253-E265 HydrophobicContact CD1-CG 3.56Å; L253-A268 HydrophobicContact CB-CB 3.83Å; L253-A268 HydrophobicContact CD1-CB 4.08Å; L253-C269 VanDerWaalsContact CD1-SG 3.58Å; L253-L272 HydrophobicContact CB-CD1 4.23Å; L253-L272 HydrophobicContact CD2-CD1 3.8Å; L253-F288 HydrophobicContact CD2-CD1 4.47Å; L253-F288 HydrophobicContact CD2-CE1 3.9Å; L253-V596 HydrophobicContact CD2-CG2 4.09Å; L253-V596 HydrophobicContact CG-CG2 4.33Å
254	Q	91.8	Very high	90.4	Very high	47 Å²	47	47.2 Å²	47.2	22%	0.22	23%	0.23	C	C	.	.	H	α-helix	trans	-57.4	-39.1	176.7	-74.4	176.8	-2.7	0	0	111.9	R250 E251 R258 V596 E597	R250-Q254 WeakPolarHBondContact O-CG 3.46Å; R250-Q254 PolarHBondContact O-N 2.81Å; E251-Q254 PolarHBondContact O-N 2.76Å; Q254-R258 WeakPolarHBondContact O-CB 3.35Å; Q254-R258 VanDerWaalsContact O-CG 3.25Å; Q254-R258 WeakPolarHBondContact O-CG 3.48Å; Q254-R258 PolarHBondContact O-N 3.44Å; Q254-R258 VanDerWaalsContact O-N 3.1Å; Q254-V596 HydrophobicContact CG-CG1 3.99Å; Q254-E597 PolarHBondContact NE2-O 3.27Å
255	L	88.5	Confident	90.1	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-71.5	-40	176.9	-69.7	165.4	0	0	0	112.6	L222 Q225 R226 E251 A252 L253 V257 R258 L259	L222-L255 HydrophobicContact CD2-CD2 4.08Å; Q225-L255 HydrophobicContact CB-CD1 3.79Å; R226-L255 HydrophobicContact CB-CB 3.86Å; R226-L255 HydrophobicContact CB-CD1 4.35Å; R226-L255 HydrophobicContact CG-CB 4.46Å; E251-L255 WeakPolarHBondContact O-CB 3.38Å; E251-L255 WeakPolarHBondContact O-CD1 3.44Å; E251-L255 VanDerWaalsContact O-CG 3.28Å; E251-L255 WeakPolarHBondContact O-CG 3.36Å; E251-L255 PolarHBondContact O-N 3.35Å; A252-L255 PolarHBondContact O-N 2.69Å; L253-L255 VanDerWaalsContact C-N 3.25Å; L253-L255 PolarHBondContact O-N 2.77Å; L255-V257 PolarHBondContact O-N 3.36Å; L255-R258 PolarHBondContact O-N 3.14Å; L255-L259 VanDerWaalsContact O-CG 3.3Å; L255-L259 WeakPolarHBondContact O-CG 3.28Å; L255-L259 PolarHBondContact O-N 2.74Å
256	S	87.3	Confident	90	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.007	23%	0.23	C	C	.	.	H	α-helix	trans	-59.2	-45.1	173.7	-60.1	0	0	0	0	112.2	A252 L253 R258 L259 K260 D261 L264	A252-S256 PolarHBondContact O-N 2.82Å; A252-S256 PolarHBondContact O-OG 2.77Å; L253-S256 PolarHBondContact O-N 3.4Å; S256-R258 PolarHBondContact O-N 2.75Å; S256-L259 PolarHBondContact O-N 3.34Å; S256-K260 PolarHBondContact O-N 3.13Å; S256-D261 PolarHBondContact O-N 3Å; S256-D261 VanDerWaalsContact O-N 3.17Å; S256-L264 VanDerWaalsContact OG-C 3.29Å; S256-L264 WeakPolarHBondContact OG-CB 3.4Å; S256-L264 PolarHBondContact OG-O 2.83Å; S256-L264 VanDerWaalsContact OG-O 3.14Å
257	V	87.2	Confident	89.8	Confident	30 Å²	30	51.1 Å²	51.1	18%	0.182	25%	0.246	C	C	.	.	H	α-helix	trans	-61.9	-42.1	175.6	174.4	0	0	0	0	111.1	L253 L255 L259 K260 E265 F598	L253-V257 HydrophobicContact CD1-CG2 4.39Å; L253-V257 WeakPolarHBondContact O-CG2 3.21Å; L253-V257 PolarHBondContact O-N 2.99Å; L255-V257 PolarHBondContact O-N 3.36Å; V257-L259 VanDerWaalsContact C-N 3.3Å; V257-L259 PolarHBondContact O-N 3.34Å; V257-K260 PolarHBondContact O-N 3.38Å; V257-E265 HydrophobicContact CG2-CG 3.96Å; V257-F598 HydrophobicContact CG1-CZ 4.08Å
258	R	91.6	Very high	89.3	Confident	143 Å²	143	46.5 Å²	46.5	54%	0.54	23%	0.225	S	C	.	.	H	α-helix	trans	-65.1	-30.3	175.8	-75	171.6	62.4	-163.4	-1.8	113.6	Q254 L255 S256 F598	Q254-R258 WeakPolarHBondContact O-CB 3.35Å; Q254-R258 VanDerWaalsContact O-CG 3.25Å; Q254-R258 WeakPolarHBondContact O-CG 3.48Å; Q254-R258 PolarHBondContact O-N 3.44Å; Q254-R258 VanDerWaalsContact O-N 3.1Å; L255-R258 PolarHBondContact O-N 3.14Å; S256-R258 PolarHBondContact O-N 2.75Å; R258-F598 HydrophobicContact CG-CE1 4.13Å
259	L	86.1	Confident	89.1	Confident	53 Å²	53	45 Å²	45	28%	0.277	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-10.2	173.1	-71.3	163.2	0	0	0	112.8	L222 R226 L255 S256 V257 D261	L222-L259 HydrophobicContact CB-CD2 3.97Å; L222-L259 HydrophobicContact CB-CG 4.4Å; R226-L259 HydrophobicContact CB-CD1 4.33Å; L255-L259 VanDerWaalsContact O-CG 3.3Å; L255-L259 WeakPolarHBondContact O-CG 3.28Å; L255-L259 PolarHBondContact O-N 2.74Å; S256-L259 PolarHBondContact O-N 3.34Å; V257-L259 VanDerWaalsContact C-N 3.3Å; V257-L259 PolarHBondContact O-N 3.34Å; L259-D261 HydrophobicContact CB-CB 4.36Å; L259-D261 PolarHBondContact O-N 2.9Å
260	K	90.9	Very high	89	Confident	142 Å²	142	45.8 Å²	45.8	62%	0.617	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	28.8	-168.1	-59.9	-164.9	175.2	-169	0	113	S256 V257 D616	S256-K260 PolarHBondContact O-N 3.13Å; V257-K260 PolarHBondContact O-N 3.38Å; K260-D616 VanDerWaalsContact NZ-CG 3.34Å; K260-D616 IonicContact NZ-OD1 3.97Å; K260-D616 PolarHBondContact NZ-OD1 3.29Å; K260-D616 IonicContact NZ-OD2 3.84Å; K260-D616 PolarHBondContact NZ-OD2 3.27Å
261	D	84.9	Confident	88.8	Confident	61 Å²	61	41.6 Å²	41.6	33%	0.326	21%	0.209	S	C	.	.			trans	-94.3	102	175.6	-171.6	-37.1	0	0	0	110.5	S256 L259 S263 L264 E265	S256-D261 PolarHBondContact O-N 3Å; S256-D261 VanDerWaalsContact O-N 3.17Å; L259-D261 HydrophobicContact CB-CB 4.36Å; L259-D261 PolarHBondContact O-N 2.9Å; D261-S263 VanDerWaalsContact C-N 3.32Å; D261-S263 PolarHBondContact O-N 2.88Å; D261-S263 WeakPolarHBondContact OD1-CA 3.39Å; D261-S263 WeakPolarHBondContact OD1-CB 3.26Å; D261-S263 PolarHBondContact OD1-N 3.38Å; D261-L264 HydrophobicContact CB-CB 4.13Å; D261-L264 HydrophobicContact CB-CD1 4.09Å; D261-L264 HydrophobicContact CB-CG 4.25Å; D261-L264 PolarHBondContact OD1-N 2.73Å; D261-L264 WeakPolarHBondContact OD2-CD1 3.36Å; D261-L264 WeakPolarHBondContact OD2-CG 3.36Å; D261-E265 WeakPolarHBondContact O-CB 3.4Å; D261-E265 PolarHBondContact O-N 3.23Å
262	T	88	Confident	88.6	Confident	66 Å²	66	38 Å²	38	41%	0.405	19%	0.193	S	C	.	.	H	α-helix	trans	-70	-25.1	-179.9	50.2	0	0	0	0	113.3	A266 I295	T262-A266 WeakPolarHBondContact O-CB 3.46Å; T262-A266 PolarHBondContact O-N 2.81Å; T262-I295 WeakPolarHBondContact O-CG2 3.47Å
263	S	87.2	Confident	88.4	Confident	72 Å²	72	38 Å²	38	50%	0.503	19%	0.192	S	C	.	.	H	α-helix	trans	-72.4	-44	176.7	-170.1	0	0	0	0	110.6	D261 E265 A266 Q267	D261-S263 VanDerWaalsContact C-N 3.32Å; D261-S263 PolarHBondContact O-N 2.88Å; D261-S263 WeakPolarHBondContact OD1-CA 3.39Å; D261-S263 WeakPolarHBondContact OD1-CB 3.26Å; D261-S263 PolarHBondContact OD1-N 3.38Å; S263-E265 VanDerWaalsContact C-N 3.32Å; S263-A266 PolarHBondContact O-N 3.36Å; S263-Q267 PolarHBondContact O-N 2.86Å
264	L	86.5	Confident	88.1	Confident	17 Å²	17	39.4 Å²	39.4	9%	0.089	20%	0.199	C	C	.	.	H	α-helix	trans	-70.2	-28.7	173.8	-65	178.5	0	0	0	112.3	R226 S256 D261 A268	R226-L264 HydrophobicContact CG-CD1 4.5Å; S256-L264 VanDerWaalsContact OG-C 3.29Å; S256-L264 WeakPolarHBondContact OG-CB 3.4Å; S256-L264 PolarHBondContact OG-O 2.83Å; S256-L264 VanDerWaalsContact OG-O 3.14Å; D261-L264 HydrophobicContact CB-CB 4.13Å; D261-L264 HydrophobicContact CB-CD1 4.09Å; D261-L264 HydrophobicContact CB-CG 4.25Å; D261-L264 PolarHBondContact OD1-N 2.73Å; D261-L264 WeakPolarHBondContact OD2-CD1 3.36Å; D261-L264 WeakPolarHBondContact OD2-CG 3.36Å; L264-A268 WeakPolarHBondContact O-CB 3.46Å; L264-A268 PolarHBondContact O-N 3.09Å; L264-A268 VanDerWaalsContact O-N 3.1Å
265	E	88	Confident	87.9	Confident	24 Å²	24	37.3 Å²	37.3	11%	0.112	19%	0.19	C	C	.	.	H	α-helix	trans	-64.4	-52.4	169.8	-168.6	-171.8	145.9	0	0	110.6	L253 V257 D261 S263 Q267 A268 C269 R291 I295	L253-E265 HydrophobicContact CD1-CB 4.48Å; L253-E265 HydrophobicContact CD1-CG 3.56Å; V257-E265 HydrophobicContact CG2-CG 3.96Å; D261-E265 WeakPolarHBondContact O-CB 3.4Å; D261-E265 PolarHBondContact O-N 3.23Å; S263-E265 VanDerWaalsContact C-N 3.32Å; E265-Q267 VanDerWaalsContact C-N 3.27Å; E265-Q267 PolarHBondContact O-N 3.26Å; E265-A268 PolarHBondContact O-N 2.69Å; E265-A268 VanDerWaalsContact O-N 3.13Å; E265-C269 PolarHBondContact O-N 2.74Å; E265-C269 PolarHBondContact O-SG 3.24Å; E265-C269 VanDerWaalsContact O-SG 3.41Å; E265-R291 IonicContact OE1-CZ 3.01Å; E265-R291 IonicContact OE1-NE 3.67Å; E265-R291 PolarHBondContact OE1-NE 3.48Å; E265-R291 IonicContact OE1-NH2 3.46Å; E265-R291 PolarHBondContact OE1-NH2 3.42Å; E265-I295 HydrophobicContact CB-CD1 4.35Å; E265-I295 HydrophobicContact CG-CD1 3.98Å; E265-I295 WeakPolarHBondContact OE1-CD1 3.24Å
266	A	85.6	Confident	87.9	Confident	7 Å²	7	37.7 Å²	37.7	6%	0.058	19%	0.192	C	C	.	.	H	α-helix	trans	-57.6	-39.4	178.1	0	0	0	0	0	112.2	T262 S263 F270 H292 I295	T262-A266 WeakPolarHBondContact O-CB 3.46Å; T262-A266 PolarHBondContact O-N 2.81Å; S263-A266 PolarHBondContact O-N 3.36Å; A266-F270 PolarHBondContact O-N 3.04Å; A266-H292 PolarHBondContact O-ND1 2.89Å; A266-I295 HydrophobicContact CB-CB 3.95Å; A266-I295 HydrophobicContact CB-CD1 4.32Å; A266-I295 HydrophobicContact CB-CG2 3.79Å
267	Q	87.4	Confident	87.7	Confident	77 Å²	77	38.4 Å²	38.4	36%	0.36	20%	0.195	S	C	.	.	H	α-helix	trans	-64.7	-46.3	175.8	-172.1	-179.9	10.6	0	0	111.9	S263 E265 F270 S271	S263-Q267 PolarHBondContact O-N 2.86Å; E265-Q267 VanDerWaalsContact C-N 3.27Å; E265-Q267 PolarHBondContact O-N 3.26Å; Q267-F270 PolarHBondContact O-N 3.3Å; Q267-S271 PolarHBondContact O-N 2.8Å; Q267-S271 PolarHBondContact O-OG 3.01Å
268	A	86.2	Confident	87.6	Confident	7 Å²	7	39.8 Å²	39.8	6%	0.058	20%	0.201	C	C	.	.	H	α-helix	trans	-65.2	-39.7	179.2	0	0	0	0	0	112.1	L253 L264 E265 S271 L272	L253-A268 HydrophobicContact CB-CB 3.83Å; L253-A268 HydrophobicContact CD1-CB 4.08Å; L264-A268 WeakPolarHBondContact O-CB 3.46Å; L264-A268 PolarHBondContact O-N 3.09Å; L264-A268 VanDerWaalsContact O-N 3.1Å; E265-A268 PolarHBondContact O-N 2.69Å; E265-A268 VanDerWaalsContact O-N 3.13Å; A268-S271 PolarHBondContact O-N 3.43Å; A268-L272 WeakPolarHBondContact O-CG 3.32Å; A268-L272 PolarHBondContact O-N 2.68Å
269	C	90.2	Very high	87.5	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61	-43.1	171.7	-69.4	0	0	0	0	112.4	L253 E265 L272 G273 H292	L253-C269 VanDerWaalsContact CD1-SG 3.58Å; E265-C269 PolarHBondContact O-N 2.74Å; E265-C269 PolarHBondContact O-SG 3.24Å; E265-C269 VanDerWaalsContact O-SG 3.41Å; C269-L272 PolarHBondContact O-N 3.34Å; C269-G273 PolarHBondContact O-N 2.67Å; C269-H292 HydrophobicContact CB-CB 3.95Å
270	F	90.9	Very high	87.7	Confident	26 Å²	26	40.9 Å²	40.9	11%	0.114	20%	0.204	C	C	.	.	H	α-helix	trans	-62.2	-44.2	175.6	-174.1	-92.1	0	0	0	111.9	A266 Q267 G273 N274 L289 H292 R307 S311	A266-F270 PolarHBondContact O-N 3.04Å; Q267-F270 PolarHBondContact O-N 3.3Å; F270-G273 PolarHBondContact O-N 3.22Å; F270-N274 WeakPolarHBondContact CD1-ND2 3.13Å; F270-N274 WeakPolarHBondContact CE1-ND2 3.23Å; F270-N274 WeakPolarHBondContact CE2-ND2 3.21Å; F270-N274 WeakPolarHBondContact CZ-ND2 3.43Å; F270-N274 PolarHBondContact O-N 3.45Å; F270-N274 VanDerWaalsContact O-N 3.08Å; F270-N274 PolarHBondContact O-ND2 3.47Å; F270-L289 HydrophobicContact CD2-CD2 4.16Å; F270-L289 HydrophobicContact CE2-CD2 4.46Å; F270-H292 HydrophobicContact CB-CB 4.5Å; F270-H292 AromaticContact CD2-CD2 3.61Å; F270-H292 AromaticContact CD2-NE2 3.53Å; F270-R307 HydrophobicContact CE2-CB 3.87Å; F270-R307 HydrophobicContact CZ-CB 4.27Å; F270-S311 WeakPolarHBondContact CE2-OG 3.39Å
271	S	89.8	Confident	87.7	Confident	19 Å²	19	38.5 Å²	38.5	13%	0.133	20%	0.195	C	C	.	.	H	α-helix	trans	-61.3	-47.2	177.1	-65.9	0	0	0	0	112.1	Q267 A268 T275	Q267-S271 PolarHBondContact O-N 2.8Å; Q267-S271 PolarHBondContact O-OG 3.01Å; A268-S271 PolarHBondContact O-N 3.43Å; S271-T275 WeakPolarHBondContact O-CB 3.47Å; S271-T275 PolarHBondContact O-N 3.41Å; S271-T275 PolarHBondContact O-OG1 2.88Å
272	L	90.4	Very high	87.7	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59.7	-50	175.5	-76.9	164.9	0	0	0	111.6	V246 R250 L253 A268 C269 N274 T275 Y276 F288	V246-L272 HydrophobicContact CB-CD2 4.47Å; V246-L272 HydrophobicContact CG1-CD2 4.22Å; V246-L272 HydrophobicContact CG2-CD2 4.44Å; R250-L272 HydrophobicContact CG-CD1 4.44Å; R250-L272 HydrophobicContact CG-CD2 4.01Å; L253-L272 HydrophobicContact CB-CD1 4.23Å; L253-L272 HydrophobicContact CD2-CD1 3.8Å; A268-L272 WeakPolarHBondContact O-CG 3.32Å; A268-L272 PolarHBondContact O-N 2.68Å; C269-L272 PolarHBondContact O-N 3.34Å; L272-N274 PolarHBondContact O-N 3.42Å; L272-T275 WeakPolarHBondContact O-CB 3.44Å; L272-T275 PolarHBondContact O-N 3.2Å; L272-Y276 HydrophobicContact CB-CE2 4.47Å; L272-Y276 HydrophobicContact CD2-CE2 4.24Å; L272-Y276 WeakPolarHBondContact O-CD2 3.47Å; L272-Y276 PolarHBondContact O-N 3.48Å; L272-F288 HydrophobicContact CB-CB 4.29Å; L272-F288 HydrophobicContact CB-CD1 3.85Å; L272-F288 HydrophobicContact CB-CD2 4.23Å; L272-F288 HydrophobicContact CB-CE1 4.23Å; L272-F288 HydrophobicContact CB-CG 3.86Å; L272-F288 HydrophobicContact CD1-CD1 3.87Å; L272-F288 HydrophobicContact CD1-CE1 3.56Å; L272-F288 HydrophobicContact CD1-CZ 4.13Å; L272-F288 HydrophobicContact CG-CD1 4.49Å; L272-F288 HydrophobicContact CG-CE1 4.46Å
273	G	86.6	Confident	87.6	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-54.1	-49.4	179.9	0	0	0	0	0	113	C269 F270 T275 Y276 I277 A285	C269-G273 PolarHBondContact O-N 2.67Å; F270-G273 PolarHBondContact O-N 3.22Å; G273-T275 VanDerWaalsContact C-N 3.35Å; G273-T275 PolarHBondContact O-N 3.09Å; G273-Y276 PolarHBondContact O-N 3.39Å; G273-I277 PolarHBondContact O-N 3.29Å; G273-A285 VanDerWaalsContact O-CB 3.22Å; G273-A285 WeakPolarHBondContact O-CB 3.02Å
274	N	85.9	Confident	87.6	Confident	33 Å²	33	34.2 Å²	34.2	18%	0.176	18%	0.176	C	C	.	.	H	α-helix	trans	-69.9	-31.2	177.7	-69.5	-85.9	0	0	0	112.6	F270 L272 I277 L278 S311	F270-N274 WeakPolarHBondContact CD1-ND2 3.13Å; F270-N274 WeakPolarHBondContact CE1-ND2 3.23Å; F270-N274 WeakPolarHBondContact CE2-ND2 3.21Å; F270-N274 WeakPolarHBondContact CZ-ND2 3.43Å; F270-N274 PolarHBondContact O-N 3.45Å; F270-N274 VanDerWaalsContact O-N 3.08Å; F270-N274 PolarHBondContact O-ND2 3.47Å; L272-N274 PolarHBondContact O-N 3.42Å; N274-I277 PolarHBondContact O-N 2.93Å; N274-L278 PolarHBondContact O-N 3.35Å; N274-S311 PolarHBondContact ND2-OG 2.83Å; N274-S311 WeakPolarHBondContact OD1-CB 3.48Å; N274-S311 PolarHBondContact OD1-OG 2.98Å
275	T	86.2	Confident	87.6	Confident	4 Å²	4	33.4 Å²	33.4	3%	0.025	17%	0.172	C	C	.	.	H	α-helix	trans	-66.3	-38.7	174.5	-50.7	0	0	0	0	111.8	I237 F242 A245 V246 Y249 S271 L272 G273 I277 L278 L279	I237-T275 HydrophobicContact CD1-CG2 3.67Å; F242-T275 HydrophobicContact CB-CG2 3.98Å; F242-T275 WeakPolarHBondContact O-CG2 3.06Å; A245-T275 HydrophobicContact CB-CG2 4.19Å; V246-T275 HydrophobicContact CG2-CG2 3.61Å; Y249-T275 WeakPolarHBondContact CE2-OG1 3.49Å; S271-T275 WeakPolarHBondContact O-CB 3.47Å; S271-T275 PolarHBondContact O-N 3.41Å; S271-T275 PolarHBondContact O-OG1 2.88Å; L272-T275 WeakPolarHBondContact O-CB 3.44Å; L272-T275 PolarHBondContact O-N 3.2Å; G273-T275 VanDerWaalsContact C-N 3.35Å; G273-T275 PolarHBondContact O-N 3.09Å; T275-I277 VanDerWaalsContact C-N 3.33Å; T275-I277 PolarHBondContact O-N 3.45Å; T275-L278 WeakPolarHBondContact O-CB 3.38Å; T275-L278 PolarHBondContact O-N 3.32Å; T275-L278 VanDerWaalsContact O-N 3.1Å; T275-L279 PolarHBondContact O-N 3.42Å
276	Y	88.9	Confident	87.5	Confident	10 Å²	10	32.4 Å²	32.4	4%	0.039	17%	0.167	C	C	.	.	H	α-helix	trans	-67.3	-29.8	174.2	-78.4	-67.2	0	0	0	113.2	V246 R250 L272 G273 L278 L279 R280 E281 T284 F288	V246-Y276 HydrophobicContact CG1-CE2 4.39Å; V246-Y276 WeakPolarHBondContact CG1-OH 3.45Å; V246-Y276 HydrophobicContact CG2-CE1 4.26Å; V246-Y276 HydrophobicContact CG2-CE2 4.26Å; R250-Y276 PolarHBondContact NE-OH 3.43Å; R250-Y276 PolarHBondContact NH2-OH 3.42Å; L272-Y276 HydrophobicContact CB-CE2 4.47Å; L272-Y276 HydrophobicContact CD2-CE2 4.24Å; L272-Y276 WeakPolarHBondContact O-CD2 3.47Å; L272-Y276 PolarHBondContact O-N 3.48Å; G273-Y276 PolarHBondContact O-N 3.39Å; Y276-L278 VanDerWaalsContact C-N 3.33Å; Y276-L279 HydrophobicContact CD1-CD1 3.93Å; Y276-L279 HydrophobicContact CE1-CD1 4.14Å; Y276-L279 PolarHBondContact O-N 3.03Å; Y276-R280 PolarHBondContact O-N 2.89Å; Y276-R280 VanDerWaalsContact O-N 3.14Å; Y276-E281 HydrophobicContact CD1-CB 4.09Å; Y276-E281 WeakPolarHBondContact CD1-OE2 3.06Å; Y276-E281 WeakPolarHBondContact CE1-OE2 3.48Å; Y276-E281 CarbonylContact O-C 3.59Å; Y276-E281 PolarHBondContact O-N 2.95Å; Y276-T284 HydrophobicContact CD1-CG2 3.7Å; Y276-T284 HydrophobicContact CD2-CG2 3.89Å; Y276-T284 HydrophobicContact CE1-CG2 3.61Å; Y276-T284 HydrophobicContact CE2-CG2 3.81Å; Y276-T284 HydrophobicContact CG-CG2 3.84Å; Y276-F288 AromaticContact CD2-CD2 3.75Å; Y276-F288 HydrophobicContact CD2-CD2 3.75Å; Y276-F288 AromaticContact CD2-CE2 3.93Å; Y276-F288 HydrophobicContact CD2-CE2 3.93Å; Y276-F288 AromaticContact CE2-CD2 3.73Å; Y276-F288 HydrophobicContact CE2-CD2 3.73Å; Y276-F288 AromaticContact CE2-CE2 3.4Å; Y276-F288 HydrophobicContact CE2-CE2 3.4Å; Y276-F288 VanDerWaalsContact CE2-CE2 3.4Å; Y276-F288 HydrophobicContact CE2-CZ 4.27Å
277	I	83	Confident	87.6	Confident	15 Å²	15	33 Å²	33	8%	0.077	17%	0.17	C	C	.	.	H	α-helix	trans	-63.1	-41	168.5	-59.8	175.7	0	0	0	110.7	G273 N274 T275 R280 A285 L289 N314 A315 L813	G273-I277 PolarHBondContact O-N 3.29Å; N274-I277 PolarHBondContact O-N 2.93Å; T275-I277 VanDerWaalsContact C-N 3.33Å; T275-I277 PolarHBondContact O-N 3.45Å; I277-R280 PolarHBondContact O-N 2.84Å; I277-R280 VanDerWaalsContact O-N 3.09Å; I277-A285 HydrophobicContact CG1-CB 3.61Å; I277-L289 HydrophobicContact CD1-CD1 4.09Å; I277-N314 HydrophobicContact CD1-CB 4.37Å; I277-A315 HydrophobicContact CD1-CB 4.1Å; I277-A315 HydrophobicContact CG1-CB 4.29Å; I277-L813 HydrophobicContact CG2-CD2 3.54Å
278	L	86.2	Confident	87.6	Confident	59 Å²	59	29.8 Å²	29.8	31%	0.309	16%	0.155	S	C	.	.	H	α-helix	trans	-68.2	-37.1	177.9	-64.5	171.5	0	0	0	112.7	I237 F242 N274 T275 Y276 R280	I237-L278 HydrophobicContact CD1-CD1 4.48Å; I237-L278 HydrophobicContact CG2-CD1 4.47Å; F242-L278 HydrophobicContact CD1-CB 4.09Å; F242-L278 HydrophobicContact CD1-CD1 4.02Å; F242-L278 HydrophobicContact CD2-CB 4.02Å; F242-L278 HydrophobicContact CE1-CB 4.14Å; F242-L278 HydrophobicContact CE1-CD1 3.77Å; F242-L278 HydrophobicContact CE1-CG 4.46Å; F242-L278 HydrophobicContact CE2-CB 4.06Å; F242-L278 HydrophobicContact CG-CB 4.05Å; F242-L278 HydrophobicContact CZ-CB 4.12Å; F242-L278 HydrophobicContact CZ-CD1 4.33Å; N274-L278 PolarHBondContact O-N 3.35Å; T275-L278 WeakPolarHBondContact O-CB 3.38Å; T275-L278 PolarHBondContact O-N 3.32Å; T275-L278 VanDerWaalsContact O-N 3.1Å; Y276-L278 VanDerWaalsContact C-N 3.33Å; L278-R280 PolarHBondContact O-N 2.85Å
279	L	88.6	Confident	87.7	Confident	41 Å²	41	29.5 Å²	29.5	22%	0.215	15%	0.152	C	C	.	.	H	α-helix	trans	-67.1	-12.6	169.6	-74.1	168	0	0	0	113.7	F242 V246 T275 Y276	F242-L279 HydrophobicContact CB-CD2 3.7Å; F242-L279 HydrophobicContact CB-CG 3.77Å; V246-L279 HydrophobicContact CG2-CD1 3.66Å; T275-L279 PolarHBondContact O-N 3.42Å; Y276-L279 HydrophobicContact CD1-CD1 3.93Å; Y276-L279 HydrophobicContact CE1-CD1 4.14Å; Y276-L279 PolarHBondContact O-N 3.03Å
280	R	90.7	Very high	87.6	Confident	178 Å²	178	29.5 Å²	29.5	67%	0.672	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.4	35.2	-172.5	-50.3	-164.6	177.9	-72.1	-2.8	114.2	Y276 I277 L278 P282	Y276-R280 PolarHBondContact O-N 2.89Å; Y276-R280 VanDerWaalsContact O-N 3.14Å; I277-R280 PolarHBondContact O-N 2.84Å; I277-R280 VanDerWaalsContact O-N 3.09Å; L278-R280 PolarHBondContact O-N 2.85Å; R280-P282 WeakPolarHBondContact O-CD 3.03Å
281	E	90.4	Very high	87.4	Confident	92 Å²	92	29 Å²	29	43%	0.43	15%	0.15	S	C	.	.			trans	-107	66.7	166.6	-63	-176	-170	0	0	110.7	Y276 G283 T284 A285	Y276-E281 HydrophobicContact CD1-CB 4.09Å; Y276-E281 WeakPolarHBondContact CD1-OE2 3.06Å; Y276-E281 WeakPolarHBondContact CE1-OE2 3.48Å; Y276-E281 CarbonylContact O-C 3.59Å; Y276-E281 PolarHBondContact O-N 2.95Å; E281-G283 PolarHBondContact O-N 2.96Å; E281-T284 PolarHBondContact O-N 3.15Å; E281-T284 PolarHBondContact OE2-OG1 3.04Å; E281-T284 VanDerWaalsContact OE2-OG1 3.1Å; E281-A285 PolarHBondContact O-N 3.1Å
282	P	85.8	Confident	87.3	Confident	21 Å²	21	28.5 Å²	28.5	14%	0.136	15%	0.146	C	C	.	.	H	α-helix	trans	-67.8	-18.8	-172.7	30.2	-37.7	0	0	0	113.5	R280 A285 V286 A315 A318 L319	R280-P282 WeakPolarHBondContact O-CD 3.03Å; P282-A285 WeakPolarHBondContact O-CB 3.23Å; P282-A285 PolarHBondContact O-N 3.12Å; P282-V286 WeakPolarHBondContact O-CG2 3.29Å; P282-V286 PolarHBondContact O-N 3.15Å; P282-A315 HydrophobicContact CB-CB 4.34Å; P282-A318 HydrophobicContact CB-CB 3.88Å; P282-A318 HydrophobicContact CG-CB 3.93Å; P282-L319 HydrophobicContact CB-CD2 4.36Å; P282-L319 HydrophobicContact CB-CG 3.96Å; P282-L319 HydrophobicContact CG-CD2 3.84Å; P282-L319 HydrophobicContact CG-CG 3.87Å
283	G	85.9	Confident	87.1	Confident	37 Å²	37	28.6 Å²	28.6	38%	0.381	15%	0.146	S	C	.	.	H	α-helix	trans	-63.9	-54.9	169.6	0	0	0	0	0	111.5	E281 A285 V286	E281-G283 PolarHBondContact O-N 2.96Å; G283-A285 PolarHBondContact O-N 3.07Å; G283-V286 PolarHBondContact O-N 3.34Å
284	T	87.4	Confident	87.1	Confident	51 Å²	51	30.6 Å²	30.6	31%	0.313	16%	0.156	S	C	.	.	H	α-helix	trans	-55.9	-38.8	173.2	-37.9	0	0	0	0	111.5	Y276 E281 V287 F288	Y276-T284 HydrophobicContact CD1-CG2 3.7Å; Y276-T284 HydrophobicContact CD2-CG2 3.89Å; Y276-T284 HydrophobicContact CE1-CG2 3.61Å; Y276-T284 HydrophobicContact CE2-CG2 3.81Å; Y276-T284 HydrophobicContact CG-CG2 3.84Å; E281-T284 PolarHBondContact O-N 3.15Å; E281-T284 PolarHBondContact OE2-OG1 3.04Å; E281-T284 VanDerWaalsContact OE2-OG1 3.1Å; T284-V287 PolarHBondContact O-N 3.25Å; T284-F288 HydrophobicContact CG2-CD2 4.44Å; T284-F288 HydrophobicContact CG2-CE2 4.14Å; T284-F288 WeakPolarHBondContact O-CD2 3.49Å
285	A	85.9	Confident	86.9	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61.4	-44.8	177.1	0	0	0	0	0	113.8	G273 I277 E281 P282 G283 V287 F288 L289 A315	G273-A285 VanDerWaalsContact O-CB 3.22Å; G273-A285 WeakPolarHBondContact O-CB 3.02Å; I277-A285 HydrophobicContact CG1-CB 3.61Å; E281-A285 PolarHBondContact O-N 3.1Å; P282-A285 WeakPolarHBondContact O-CB 3.23Å; P282-A285 PolarHBondContact O-N 3.12Å; G283-A285 PolarHBondContact O-N 3.07Å; A285-V287 VanDerWaalsContact C-N 3.29Å; A285-V287 PolarHBondContact O-N 3.26Å; A285-F288 PolarHBondContact O-N 3.08Å; A285-L289 WeakPolarHBondContact O-CB 3.15Å; A285-L289 VanDerWaalsContact O-CG 3.26Å; A285-L289 WeakPolarHBondContact O-CG 3.14Å; A285-L289 PolarHBondContact O-N 2.8Å; A285-A315 HydrophobicContact CB-CB 4.49Å
286	V	86.4	Confident	86.8	Confident	3 Å²	3	30 Å²	30	2%	0.018	15%	0.153	C	C	.	.	H	α-helix	trans	-55.9	-45	179.6	163.9	0	0	0	0	110.6	P282 G283 F288 L289 L290 L312 A315 Y316 L319	P282-V286 WeakPolarHBondContact O-CG2 3.29Å; P282-V286 PolarHBondContact O-N 3.15Å; G283-V286 PolarHBondContact O-N 3.34Å; V286-F288 PolarHBondContact O-N 2.92Å; V286-L289 PolarHBondContact O-N 3.19Å; V286-L290 HydrophobicContact CG1-CD1 3.57Å; V286-L290 HydrophobicContact CG1-CG 3.96Å; V286-L290 WeakPolarHBondContact O-CB 3.48Å; V286-L290 VanDerWaalsContact O-CG 3.29Å; V286-L290 WeakPolarHBondContact O-CG 3.28Å; V286-L290 PolarHBondContact O-N 3.44Å; V286-L312 HydrophobicContact CB-CD2 4.49Å; V286-L312 HydrophobicContact CG1-CD2 4.31Å; V286-L312 HydrophobicContact CG2-CD2 4.31Å; V286-A315 HydrophobicContact CG2-CB 3.8Å; V286-Y316 HydrophobicContact CG1-CE1 4.08Å; V286-Y316 HydrophobicContact CG2-CD1 4.15Å; V286-Y316 HydrophobicContact CG2-CE1 3.77Å; V286-L319 HydrophobicContact CG2-CD1 3.88Å
287	V	87.6	Confident	86.7	Confident	19 Å²	19	31.4 Å²	31.4	12%	0.115	16%	0.158	C	C	.	.	H	α-helix	trans	-55.9	-50.2	179.9	-175.7	0	0	0	0	112.2	T284 A285 R291 G591 I592 T595	T284-V287 PolarHBondContact O-N 3.25Å; A285-V287 VanDerWaalsContact C-N 3.29Å; A285-V287 PolarHBondContact O-N 3.26Å; V287-R291 PolarHBondContact O-N 3.41Å; V287-R291 VanDerWaalsContact O-N 3.08Å; V287-G591 WeakPolarHBondContact CG1-O 3.49Å; V287-I592 HydrophobicContact CG1-CB 4.42Å; V287-I592 HydrophobicContact CG1-CG1 3.86Å; V287-T595 HydrophobicContact CG1-CG2 3.48Å; V287-T595 VanDerWaalsContact CG1-CG2 3.48Å
288	F	87.1	Confident	86.8	Confident	11 Å²	11	33.7 Å²	33.7	5%	0.048	19%	0.185	C	C	.	.	H	α-helix	trans	-69.2	-35.6	179.2	-75.8	-74.7	0	0	0	113	L253 L272 Y276 T284 A285 V286 R291 H292 T595	L253-F288 HydrophobicContact CD2-CD1 4.47Å; L253-F288 HydrophobicContact CD2-CE1 3.9Å; L272-F288 HydrophobicContact CB-CB 4.29Å; L272-F288 HydrophobicContact CB-CD1 3.85Å; L272-F288 HydrophobicContact CB-CD2 4.23Å; L272-F288 HydrophobicContact CB-CE1 4.23Å; L272-F288 HydrophobicContact CB-CG 3.86Å; L272-F288 HydrophobicContact CD1-CD1 3.87Å; L272-F288 HydrophobicContact CD1-CE1 3.56Å; L272-F288 HydrophobicContact CD1-CZ 4.13Å; L272-F288 HydrophobicContact CG-CD1 4.49Å; L272-F288 HydrophobicContact CG-CE1 4.46Å; Y276-F288 AromaticContact CD2-CD2 3.75Å; Y276-F288 HydrophobicContact CD2-CD2 3.75Å; Y276-F288 AromaticContact CD2-CE2 3.93Å; Y276-F288 HydrophobicContact CD2-CE2 3.93Å; Y276-F288 AromaticContact CE2-CD2 3.73Å; Y276-F288 HydrophobicContact CE2-CD2 3.73Å; Y276-F288 AromaticContact CE2-CE2 3.4Å; Y276-F288 HydrophobicContact CE2-CE2 3.4Å; Y276-F288 VanDerWaalsContact CE2-CE2 3.4Å; Y276-F288 HydrophobicContact CE2-CZ 4.27Å; T284-F288 HydrophobicContact CG2-CD2 4.44Å; T284-F288 HydrophobicContact CG2-CE2 4.14Å; T284-F288 WeakPolarHBondContact O-CD2 3.49Å; A285-F288 PolarHBondContact O-N 3.08Å; V286-F288 PolarHBondContact O-N 2.92Å; F288-R291 PolarHBondContact O-N 3.02Å; F288-H292 PolarHBondContact O-N 3.39Å; F288-T595 HydrophobicContact CD1-CG2 3.94Å; F288-T595 HydrophobicContact CD2-CG2 4.44Å; F288-T595 HydrophobicContact CE1-CG2 3.56Å; F288-T595 HydrophobicContact CE2-CG2 4.09Å; F288-T595 HydrophobicContact CG-CG2 4.36Å; F288-T595 HydrophobicContact CZ-CG2 3.64Å
289	L	88.2	Confident	86.7	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-72.2	-34.3	177.8	-67.8	171.5	0	0	0	112.7	F270 I277 A285 V286 H292 L293 L312 A315	F270-L289 HydrophobicContact CD2-CD2 4.16Å; F270-L289 HydrophobicContact CE2-CD2 4.46Å; I277-L289 HydrophobicContact CD1-CD1 4.09Å; A285-L289 WeakPolarHBondContact O-CB 3.15Å; A285-L289 VanDerWaalsContact O-CG 3.26Å; A285-L289 WeakPolarHBondContact O-CG 3.14Å; A285-L289 PolarHBondContact O-N 2.8Å; V286-L289 PolarHBondContact O-N 3.19Å; L289-H292 PolarHBondContact O-N 2.78Å; L289-L293 WeakPolarHBondContact O-CB 3.38Å; L289-L293 PolarHBondContact O-N 2.67Å; L289-L312 HydrophobicContact CB-CD2 3.57Å; L289-L312 HydrophobicContact CB-CG 3.85Å; L289-L312 HydrophobicContact CD1-CD2 4.28Å; L289-L312 HydrophobicContact CD1-CG 4.46Å; L289-A315 HydrophobicContact CD1-CB 4.45Å
290	L	87.8	Confident	86.8	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-65.8	-44.1	171.2	-75.3	178.3	0	0	0	111	V286 H292 L293 I294 L312 L581 L585 N588 I592	V286-L290 HydrophobicContact CG1-CD1 3.57Å; V286-L290 HydrophobicContact CG1-CG 3.96Å; V286-L290 WeakPolarHBondContact O-CB 3.48Å; V286-L290 VanDerWaalsContact O-CG 3.29Å; V286-L290 WeakPolarHBondContact O-CG 3.28Å; V286-L290 PolarHBondContact O-N 3.44Å; L290-H292 VanDerWaalsContact C-N 3.34Å; L290-H292 PolarHBondContact O-N 3.23Å; L290-L293 HydrophobicContact CD2-CD2 4.42Å; L290-L293 WeakPolarHBondContact O-CB 3.44Å; L290-L293 PolarHBondContact O-N 3.31Å; L290-L293 VanDerWaalsContact O-N 3.13Å; L290-I294 WeakPolarHBondContact O-CG1 3.5Å; L290-I294 PolarHBondContact O-N 3.13Å; L290-L312 HydrophobicContact CD2-CD1 4.03Å; L290-L312 HydrophobicContact CD2-CD2 4.18Å; L290-L312 HydrophobicContact CG-CD2 4.16Å; L290-L581 HydrophobicContact CD2-CD1 4.15Å; L290-L585 HydrophobicContact CB-CD2 3.75Å; L290-L585 HydrophobicContact CD1-CD2 4.17Å; L290-L585 HydrophobicContact CD2-CD2 3.89Å; L290-L585 HydrophobicContact CD2-CG 4.26Å; L290-L585 HydrophobicContact CG-CD2 4.14Å; L290-N588 HydrophobicContact CD1-CB 4.26Å; L290-I592 HydrophobicContact CB-CD1 4.11Å; L290-I592 HydrophobicContact CD1-CD1 4.45Å
291	R	87.6	Confident	86.6	Confident	16 Å²	16	32.6 Å²	32.6	6%	0.06	20%	0.201	C	C	.	.	H	α-helix	trans	-58.6	-44.7	173	-172.9	169.9	178.6	142.8	4.6	111.8	E265 V287 F288 L293 I294 I295 I592 T595	E265-R291 IonicContact OE1-CZ 3.01Å; E265-R291 IonicContact OE1-NE 3.67Å; E265-R291 PolarHBondContact OE1-NE 3.48Å; E265-R291 IonicContact OE1-NH2 3.46Å; E265-R291 PolarHBondContact OE1-NH2 3.42Å; V287-R291 PolarHBondContact O-N 3.41Å; V287-R291 VanDerWaalsContact O-N 3.08Å; F288-R291 PolarHBondContact O-N 3.02Å; R291-L293 PolarHBondContact O-N 3.24Å; R291-I294 PolarHBondContact O-N 2.94Å; R291-I295 HydrophobicContact CG-CD1 4.11Å; R291-I295 WeakPolarHBondContact O-CD1 3.49Å; R291-I295 VanDerWaalsContact O-CG1 3.3Å; R291-I295 WeakPolarHBondContact O-CG1 3.38Å; R291-I295 PolarHBondContact O-N 3.41Å; R291-I592 HydrophobicContact CB-CG2 4.39Å; R291-I592 PolarHBondContact NH1-O 2.93Å; R291-T595 PolarHBondContact NH1-OG1 2.93Å
292	H	87.2	Confident	86.6	Confident	9 Å²	9	31.6 Å²	31.6	4%	0.042	19%	0.193	C	C	.	.	H	α-helix	trans	-59.7	-43.2	172.8	168.7	72.4	0	0	0	112.6	A266 C269 F270 F288 L289 L290 I295 A296 G304	A266-H292 PolarHBondContact O-ND1 2.89Å; C269-H292 HydrophobicContact CB-CB 3.95Å; F270-H292 HydrophobicContact CB-CB 4.5Å; F270-H292 AromaticContact CD2-CD2 3.61Å; F270-H292 AromaticContact CD2-NE2 3.53Å; F288-H292 PolarHBondContact O-N 3.39Å; L289-H292 PolarHBondContact O-N 2.78Å; L290-H292 VanDerWaalsContact C-N 3.34Å; L290-H292 PolarHBondContact O-N 3.23Å; H292-I295 PolarHBondContact O-N 3.06Å; H292-A296 WeakPolarHBondContact O-CB 3.31Å; H292-A296 PolarHBondContact O-N 3.37Å; H292-G304 PolarHBondContact NE2-O 3.32Å
293	L	86.3	Confident	86.7	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-60.1	-45.5	178.1	178.2	64.7	0	0	0	112.5	L289 L290 R291 I295 A296 R297 E305 A308 L312 L581	L289-L293 WeakPolarHBondContact O-CB 3.38Å; L289-L293 PolarHBondContact O-N 2.67Å; L290-L293 HydrophobicContact CD2-CD2 4.42Å; L290-L293 WeakPolarHBondContact O-CB 3.44Å; L290-L293 PolarHBondContact O-N 3.31Å; L290-L293 VanDerWaalsContact O-N 3.13Å; R291-L293 PolarHBondContact O-N 3.24Å; L293-I295 VanDerWaalsContact C-N 3.34Å; L293-I295 PolarHBondContact O-N 2.9Å; L293-A296 PolarHBondContact O-N 3.32Å; L293-R297 HydrophobicContact CD1-CG 4.42Å; L293-R297 WeakPolarHBondContact O-CG 3.03Å; L293-R297 PolarHBondContact O-N 2.95Å; L293-E305 HydrophobicContact CD1-CB 4.42Å; L293-E305 HydrophobicContact CD1-CG 3.6Å; L293-A308 HydrophobicContact CB-CB 3.95Å; L293-A308 HydrophobicContact CD1-CB 3.79Å; L293-A308 HydrophobicContact CG-CB 4.45Å; L293-L312 HydrophobicContact CD2-CD1 4.03Å; L293-L581 HydrophobicContact CD2-CD2 3.61Å; L293-L581 HydrophobicContact CD2-CG 4.49Å
294	I	85.9	Confident	86.7	Confident	42 Å²	42	33.5 Å²	33.5	22%	0.215	19%	0.193	C	C	.	.	H	α-helix	trans	-57	-50	176.7	-62.5	164.3	0	0	0	109.9	L290 R291 R297 G298 L585 Y634	L290-I294 WeakPolarHBondContact O-CG1 3.5Å; L290-I294 PolarHBondContact O-N 3.13Å; R291-I294 PolarHBondContact O-N 2.94Å; I294-R297 PolarHBondContact O-N 3.17Å; I294-G298 PolarHBondContact O-N 2.88Å; I294-L585 HydrophobicContact CD1-CD2 3.78Å; I294-L585 HydrophobicContact CG1-CD1 4.44Å; I294-L585 HydrophobicContact CG1-CD2 3.89Å; I294-Y634 HydrophobicContact CG2-CD1 3.74Å; I294-Y634 HydrophobicContact CG2-CE1 3.87Å
295	I	82.4	Confident	86.7	Confident	23 Å²	23	31.6 Å²	31.6	12%	0.118	18%	0.18	C	C	.	.	H	α-helix	trans	-69.5	-40.2	-175.4	-54.9	159.7	0	0	0	110.8	T262 E265 A266 R291 H292 L293 R297 G298 L299	T262-I295 WeakPolarHBondContact O-CG2 3.47Å; E265-I295 HydrophobicContact CB-CD1 4.35Å; E265-I295 HydrophobicContact CG-CD1 3.98Å; E265-I295 WeakPolarHBondContact OE1-CD1 3.24Å; A266-I295 HydrophobicContact CB-CB 3.95Å; A266-I295 HydrophobicContact CB-CD1 4.32Å; A266-I295 HydrophobicContact CB-CG2 3.79Å; R291-I295 HydrophobicContact CG-CD1 4.11Å; R291-I295 WeakPolarHBondContact O-CD1 3.49Å; R291-I295 VanDerWaalsContact O-CG1 3.3Å; R291-I295 WeakPolarHBondContact O-CG1 3.38Å; R291-I295 PolarHBondContact O-N 3.41Å; H292-I295 PolarHBondContact O-N 3.06Å; L293-I295 VanDerWaalsContact C-N 3.34Å; L293-I295 PolarHBondContact O-N 2.9Å; I295-R297 VanDerWaalsContact C-N 3.34Å; I295-R297 PolarHBondContact O-N 3.21Å; I295-G298 PolarHBondContact O-N 2.95Å; I295-L299 HydrophobicContact CG2-CD1 3.92Å; I295-L299 HydrophobicContact CG2-CG 4.22Å; I295-L299 WeakPolarHBondContact O-CB 3.47Å; I295-L299 WeakPolarHBondContact O-CG 3.26Å; I295-L299 PolarHBondContact O-N 3.28Å
296	A	84.6	Confident	86.8	Confident	1 Å²	1	31.9 Å²	31.9	1%	0.008	18%	0.183	C	C	.	.	H	α-helix	trans	-59.1	-44	174.8	0	0	0	0	0	111.7	H292 L293 L299 S300 D301	H292-A296 WeakPolarHBondContact O-CB 3.31Å; H292-A296 PolarHBondContact O-N 3.37Å; L293-A296 PolarHBondContact O-N 3.32Å; A296-L299 PolarHBondContact O-N 3.16Å; A296-S300 PolarHBondContact O-N 3.42Å; A296-S300 VanDerWaalsContact O-N 3.1Å; A296-D301 HydrophobicContact CB-CB 4.44Å; A296-D301 PolarHBondContact O-N 2.98Å
297	R	85.4	Confident	86.9	Confident	40 Å²	40	34.5 Å²	34.5	15%	0.151	19%	0.193	C	C	.	.	H	α-helix	trans	-61.9	-45.8	172.8	-73.6	178.7	174.5	-158.7	-2.1	112	L293 I294 I295 L299 S300 E305 H309 D578	L293-R297 HydrophobicContact CD1-CG 4.42Å; L293-R297 WeakPolarHBondContact O-CG 3.03Å; L293-R297 PolarHBondContact O-N 2.95Å; I294-R297 PolarHBondContact O-N 3.17Å; I295-R297 VanDerWaalsContact C-N 3.34Å; I295-R297 PolarHBondContact O-N 3.21Å; R297-L299 VanDerWaalsContact C-N 3.3Å; R297-L299 PolarHBondContact O-N 3.07Å; R297-S300 PolarHBondContact O-N 3.36Å; R297-E305 HydrophobicContact CG-CG 4.14Å; R297-E305 IonicContact CZ-OE1 3.82Å; R297-E305 IonicContact NE-OE1 2.66Å; R297-E305 PolarHBondContact NE-OE1 2.99Å; R297-E305 IonicContact NH2-OE1 2.8Å; R297-E305 PolarHBondContact NH2-OE1 3.22Å; R297-H309 PolarHBondContact NH2-NE2 3.14Å; R297-D578 IonicContact CZ-OD1 2.86Å; R297-D578 IonicContact NH1-OD1 3.68Å; R297-D578 PolarHBondContact NH1-OD1 3.4Å; R297-D578 IonicContact NH2-OD1 3.77Å; R297-D578 PolarHBondContact NH2-OD1 3.23Å
298	G	84.9	Confident	86.9	Confident	62 Å²	62	33.6 Å²	33.6	64%	0.639	19%	0.188	S	C	*	.	H	α-helix	trans	-61.5	-33.7	177.2	0	0	0	0	0	114.1	I294 I295 S300	I294-G298 PolarHBondContact O-N 2.88Å; I295-G298 PolarHBondContact O-N 2.95Å; G298-S300 VanDerWaalsContact C-N 3.33Å
299	L	85.1	Confident	87.1	Confident	81 Å²	81	33.2 Å²	33.2	42%	0.424	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-4.2	174.3	-67.9	176.5	0	0	0	113.8	I295 A296 R297 D301	I295-L299 HydrophobicContact CG2-CD1 3.92Å; I295-L299 HydrophobicContact CG2-CG 4.22Å; I295-L299 WeakPolarHBondContact O-CB 3.47Å; I295-L299 WeakPolarHBondContact O-CG 3.26Å; I295-L299 PolarHBondContact O-N 3.28Å; A296-L299 PolarHBondContact O-N 3.16Å; R297-L299 VanDerWaalsContact C-N 3.3Å; R297-L299 PolarHBondContact O-N 3.07Å; L299-D301 PolarHBondContact O-N 3.43Å
300	S	91	Very high	87.3	Confident	108 Å²	108	36.9 Å²	36.9	76%	0.755	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.5	25	-168.3	-55.7	0	0	0	0	114.3	A296 R297 G298 R302	A296-S300 PolarHBondContact O-N 3.42Å; A296-S300 VanDerWaalsContact O-N 3.1Å; R297-S300 PolarHBondContact O-N 3.36Å; G298-S300 VanDerWaalsContact C-N 3.33Å; S300-R302 PolarHBondContact O-N 2.91Å
301	D	86.6	Confident	87.4	Confident	66 Å²	66	37 Å²	37	35%	0.353	20%	0.201	S	C	.	.			trans	-76.1	89	173.2	178.6	13.8	0	0	0	110.5	A296 L299 I303 G304 E305	A296-D301 HydrophobicContact CB-CB 4.44Å; A296-D301 PolarHBondContact O-N 2.98Å; L299-D301 PolarHBondContact O-N 3.43Å; D301-I303 PolarHBondContact O-N 3.15Å; D301-I303 WeakPolarHBondContact OD1-CA 3.44Å; D301-I303 WeakPolarHBondContact OD1-CB 3.36Å; D301-I303 PolarHBondContact OD1-N 3.34Å; D301-G304 PolarHBondContact O-N 3.44Å; D301-G304 PolarHBondContact OD1-N 3.44Å; D301-G304 WeakPolarHBondContact OD2-CA 3.46Å; D301-G304 PolarHBondContact OD2-N 3.01Å; D301-G304 VanDerWaalsContact OD2-N 3.11Å; D301-E305 PolarHBondContact O-N 2.92Å
302	R	89	Confident	87.5	Confident	71 Å²	71	36.2 Å²	36.2	27%	0.268	20%	0.198	S	C	.	.	H	α-helix	trans	-67.7	-21.2	177.8	-161.9	60.1	166.1	-175	1.9	112.8	S300 E305 G306 I335 Q338 L339	S300-R302 PolarHBondContact O-N 2.91Å; R302-E305 WeakPolarHBondContact CD-OE2 3.47Å; R302-E305 IonicContact CZ-OE2 3.28Å; R302-E305 IonicContact NE-OE2 2.89Å; R302-E305 IonicContact NH1-OE1 2.7Å; R302-E305 PolarHBondContact NH1-OE1 3.06Å; R302-E305 VanDerWaalsContact NH1-OE1 3.1Å; R302-E305 IonicContact NH1-OE2 3.15Å; R302-E305 PolarHBondContact NH1-OE2 2.84Å; R302-G306 PolarHBondContact O-N 3.49Å; R302-G306 VanDerWaalsContact O-N 3.11Å; R302-I335 HydrophobicContact CG-CG2 4.13Å; R302-I335 VanDerWaalsContact O-CG2 3.27Å; R302-I335 WeakPolarHBondContact O-CG2 3.02Å; R302-Q338 VanDerWaalsContact NE-OE1 3.15Å; R302-L339 HydrophobicContact CB-CD2 4.3Å; R302-L339 HydrophobicContact CG-CD2 4.27Å
303	I	88.6	Confident	87.7	Confident	98 Å²	98	35.8 Å²	35.8	50%	0.503	20%	0.196	S	C	.	.	H	α-helix	trans	-75.3	-46.7	173.9	-58.2	176.6	0	0	0	109	D301 G306 R307 L339	D301-I303 PolarHBondContact O-N 3.15Å; D301-I303 WeakPolarHBondContact OD1-CA 3.44Å; D301-I303 WeakPolarHBondContact OD1-CB 3.36Å; D301-I303 PolarHBondContact OD1-N 3.34Å; I303-G306 PolarHBondContact O-N 2.66Å; I303-R307 VanDerWaalsContact O-CG 3.32Å; I303-R307 WeakPolarHBondContact O-CG 3.35Å; I303-R307 PolarHBondContact O-N 3.01Å; I303-L339 HydrophobicContact CG1-CD1 4.09Å; I303-L339 HydrophobicContact CG1-CD2 4.18Å
304	G	86.2	Confident	87.7	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-54.5	-50.8	170.3	0	0	0	0	0	112.5	H292 D301 G306 R307 A308	H292-G304 PolarHBondContact NE2-O 3.32Å; D301-G304 PolarHBondContact O-N 3.44Å; D301-G304 PolarHBondContact OD1-N 3.44Å; D301-G304 WeakPolarHBondContact OD2-CA 3.46Å; D301-G304 PolarHBondContact OD2-N 3.01Å; D301-G304 VanDerWaalsContact OD2-N 3.11Å; G304-G306 VanDerWaalsContact C-N 3.29Å; G304-G306 PolarHBondContact O-N 3.08Å; G304-R307 PolarHBondContact O-N 3.5Å; G304-R307 VanDerWaalsContact O-N 3.11Å; G304-A308 WeakPolarHBondContact O-CB 3.22Å; G304-A308 PolarHBondContact O-N 3.48Å
305	E	87.6	Confident	87.8	Confident	11 Å²	11	34.7 Å²	34.7	5%	0.051	19%	0.19	C	C	.	.	H	α-helix	trans	-56.8	-43.2	175.5	-164.1	-169.2	159.4	0	0	111.6	L293 R297 D301 R302 R307 A308 H309 R331 I335	L293-E305 HydrophobicContact CD1-CB 4.42Å; L293-E305 HydrophobicContact CD1-CG 3.6Å; R297-E305 HydrophobicContact CG-CG 4.14Å; R297-E305 IonicContact CZ-OE1 3.82Å; R297-E305 IonicContact NE-OE1 2.66Å; R297-E305 PolarHBondContact NE-OE1 2.99Å; R297-E305 IonicContact NH2-OE1 2.8Å; R297-E305 PolarHBondContact NH2-OE1 3.22Å; D301-E305 PolarHBondContact O-N 2.92Å; R302-E305 WeakPolarHBondContact CD-OE2 3.47Å; R302-E305 IonicContact CZ-OE2 3.28Å; R302-E305 IonicContact NE-OE2 2.89Å; R302-E305 IonicContact NH1-OE1 2.7Å; R302-E305 PolarHBondContact NH1-OE1 3.06Å; R302-E305 VanDerWaalsContact NH1-OE1 3.1Å; R302-E305 IonicContact NH1-OE2 3.15Å; R302-E305 PolarHBondContact NH1-OE2 2.84Å; E305-R307 VanDerWaalsContact C-N 3.35Å; E305-R307 PolarHBondContact O-N 3.34Å; E305-A308 PolarHBondContact O-N 2.9Å; E305-H309 PolarHBondContact O-CD2 2.91Å; E305-H309 PolarHBondContact O-N 3.31Å; E305-H309 VanDerWaalsContact O-N 3.1Å; E305-H309 IonicContact OE1-NE2 3.55Å; E305-R331 IonicContact OE1-CZ 2.73Å; E305-R331 IonicContact OE1-NE 2.79Å; E305-R331 PolarHBondContact OE1-NE 2.95Å; E305-R331 IonicContact OE1-NH2 3.71Å; E305-R331 PolarHBondContact OE1-NH2 3.19Å; E305-I335 HydrophobicContact CB-CD1 4.17Å; E305-I335 HydrophobicContact CG-CD1 3.78Å
306	G	88	Confident	88.1	Confident	6 Å²	6	33.6 Å²	33.6	6%	0.062	18%	0.184	C	C	.	.	H	α-helix	trans	-61.1	-40.2	176.5	0	0	0	0	0	113.4	R302 I303 G304 W310 H332	R302-G306 PolarHBondContact O-N 3.49Å; R302-G306 VanDerWaalsContact O-N 3.11Å; I303-G306 PolarHBondContact O-N 2.66Å; G304-G306 VanDerWaalsContact C-N 3.29Å; G304-G306 PolarHBondContact O-N 3.08Å; G306-W310 PolarHBondContact O-N 3.47Å; G306-H332 PolarHBondContact O-ND1 3.21Å
307	R	87.6	Confident	88.3	Confident	58 Å²	58	34.2 Å²	34.2	22%	0.219	19%	0.188	C	C	.	.	H	α-helix	trans	-71.8	-41.1	175.7	-68.4	167.3	58.1	160.5	9.2	112.3	F270 I303 G304 E305 H309 W310 S311 N801	F270-R307 HydrophobicContact CE2-CB 3.87Å; F270-R307 HydrophobicContact CZ-CB 4.27Å; I303-R307 VanDerWaalsContact O-CG 3.32Å; I303-R307 WeakPolarHBondContact O-CG 3.35Å; I303-R307 PolarHBondContact O-N 3.01Å; G304-R307 PolarHBondContact O-N 3.5Å; G304-R307 VanDerWaalsContact O-N 3.11Å; E305-R307 VanDerWaalsContact C-N 3.35Å; E305-R307 PolarHBondContact O-N 3.34Å; R307-H309 PolarHBondContact O-N 3Å; R307-W310 PolarHBondContact O-N 3.48Å; R307-W310 VanDerWaalsContact O-N 3.16Å; R307-S311 PolarHBondContact O-N 3.25Å; R307-N801 VanDerWaalsContact CZ-CG 3.47Å; R307-N801 VanDerWaalsContact NH1-CB 3.34Å; R307-N801 PolarHBondContact NH1-ND2 3.32Å; R307-N801 PolarHBondContact NH1-OD1 3.17Å; R307-N801 PolarHBondContact NH2-OD1 3.27Å
308	A	88	Confident	88.5	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-56.8	-51.3	178.3	0	0	0	0	0	110.8	L293 G304 E305 W310 S311 L312	L293-A308 HydrophobicContact CB-CB 3.95Å; L293-A308 HydrophobicContact CD1-CB 3.79Å; L293-A308 HydrophobicContact CG-CB 4.45Å; G304-A308 WeakPolarHBondContact O-CB 3.22Å; G304-A308 PolarHBondContact O-N 3.48Å; E305-A308 PolarHBondContact O-N 2.9Å; A308-W310 VanDerWaalsContact C-N 3.3Å; A308-W310 PolarHBondContact O-N 2.75Å; A308-S311 PolarHBondContact O-N 3.06Å; A308-L312 VanDerWaalsContact O-CB 3.31Å; A308-L312 WeakPolarHBondContact O-CB 3.45Å; A308-L312 VanDerWaalsContact O-CG 3.27Å; A308-L312 WeakPolarHBondContact O-CG 3.35Å; A308-L312 PolarHBondContact O-N 3.44Å
309	H	91.2	Very high	88.7	Confident	3 Å²	3	34.4 Å²	34.4	1%	0.014	18%	0.182	C	C	.	.	H	α-helix	trans	-63.8	-31.6	177	-72.7	-65.3	0	0	0	113.3	R297 E305 R307 A313 C328 R331 H332	R297-H309 PolarHBondContact NH2-NE2 3.14Å; E305-H309 PolarHBondContact O-CD2 2.91Å; E305-H309 PolarHBondContact O-N 3.31Å; E305-H309 VanDerWaalsContact O-N 3.1Å; E305-H309 IonicContact OE1-NE2 3.55Å; R307-H309 PolarHBondContact O-N 3Å; H309-A313 WeakPolarHBondContact O-CB 3.45Å; H309-A313 PolarHBondContact O-N 3.39Å; H309-C328 WeakPolarHBondContact O-CB 3.48Å; H309-R331 VanDerWaalsContact CD2-CG 3.49Å; H309-R331 WeakPolarHBondContact CD2-CG 3.33Å; H309-R331 WeakPolarHBondContact NE2-CG 3.48Å; H309-H332 HydrophobicContact CB-CB 4.17Å
310	W	91.4	Very high	89	Confident	76 Å²	76	36.9 Å²	36.9	29%	0.288	19%	0.19	S	C	.	.	H	α-helix	trans	-68	-48.2	174.2	-178	32.6	0	0	0	112.3	G306 R307 A308 A313 N314 H332	G306-W310 PolarHBondContact O-N 3.47Å; R307-W310 PolarHBondContact O-N 3.48Å; R307-W310 VanDerWaalsContact O-N 3.16Å; A308-W310 VanDerWaalsContact C-N 3.3Å; A308-W310 PolarHBondContact O-N 2.75Å; W310-A313 PolarHBondContact O-N 3.46Å; W310-N314 PolarHBondContact O-N 3.46Å; W310-N314 PolarHBondContact O-ND2 3.01Å; W310-N314 VanDerWaalsContact O-ND2 3.09Å; W310-H332 AromaticContact CG-NE2 3.99Å
311	S	91.3	Very high	88.9	Confident	3 Å²	3	36 Å²	36	2%	0.021	17%	0.17	C	C	.	.	H	α-helix	trans	-65.5	-38.5	176.3	-66.7	0	0	0	0	112.2	F270 N274 R307 A308 N314 A315	F270-S311 WeakPolarHBondContact CE2-OG 3.39Å; N274-S311 PolarHBondContact ND2-OG 2.83Å; N274-S311 WeakPolarHBondContact OD1-CB 3.48Å; N274-S311 PolarHBondContact OD1-OG 2.98Å; R307-S311 PolarHBondContact O-N 3.25Å; A308-S311 PolarHBondContact O-N 3.06Å; S311-N314 WeakPolarHBondContact O-CB 3.36Å; S311-N314 PolarHBondContact O-N 2.75Å; S311-A315 PolarHBondContact O-N 3.14Å
312	L	89.7	Confident	89	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-62.3	-44.9	174.2	-77.3	168.9	0	0	0	111.6	V286 L289 L290 L293 A308 N314 A315 Y316 C328	V286-L312 HydrophobicContact CB-CD2 4.49Å; V286-L312 HydrophobicContact CG1-CD2 4.31Å; V286-L312 HydrophobicContact CG2-CD2 4.31Å; L289-L312 HydrophobicContact CB-CD2 3.57Å; L289-L312 HydrophobicContact CB-CG 3.85Å; L289-L312 HydrophobicContact CD1-CD2 4.28Å; L289-L312 HydrophobicContact CD1-CG 4.46Å; L290-L312 HydrophobicContact CD2-CD1 4.03Å; L290-L312 HydrophobicContact CD2-CD2 4.18Å; L290-L312 HydrophobicContact CG-CD2 4.16Å; L293-L312 HydrophobicContact CD2-CD1 4.03Å; A308-L312 VanDerWaalsContact O-CB 3.31Å; A308-L312 WeakPolarHBondContact O-CB 3.45Å; A308-L312 VanDerWaalsContact O-CG 3.27Å; A308-L312 WeakPolarHBondContact O-CG 3.35Å; A308-L312 PolarHBondContact O-N 3.44Å; L312-N314 VanDerWaalsContact C-N 3.28Å; L312-N314 PolarHBondContact O-N 3.15Å; L312-A315 PolarHBondContact O-N 2.93Å; L312-Y316 HydrophobicContact CB-CD2 4.17Å; L312-Y316 HydrophobicContact CB-CE2 3.85Å; L312-Y316 HydrophobicContact CD2-CE2 4Å; L312-Y316 HydrophobicContact CG-CE2 4.41Å; L312-Y316 WeakPolarHBondContact O-CD2 3.19Å; L312-Y316 PolarHBondContact O-N 3.46Å; L312-C328 HydrophobicContact CB-CB 4.48Å
313	A	90.1	Very high	88.8	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-59	-38.7	176.5	0	0	0	0	0	112.5	H309 W310 T317 C328 S329 M351	H309-A313 WeakPolarHBondContact O-CB 3.45Å; H309-A313 PolarHBondContact O-N 3.39Å; W310-A313 PolarHBondContact O-N 3.46Å; A313-T317 WeakPolarHBondContact O-CB 3.48Å; A313-T317 PolarHBondContact O-N 3.5Å; A313-T317 PolarHBondContact O-OG1 3.35Å; A313-C328 HydrophobicContact CB-CB 3.76Å; A313-S329 WeakPolarHBondContact CB-OG 3.41Å; A313-M351 HydrophobicContact CB-SD 3.43Å; A313-M351 WeakPolarHBondContact CB-SD 3.41Å
314	N	87	Confident	88.7	Confident	20 Å²	20	30 Å²	30	11%	0.107	14%	0.143	C	C	.	.	H	α-helix	trans	-62.9	-44.9	172.2	-71.6	-50.9	0	0	0	112.1	I277 W310 S311 L312 T317 A318 M351	I277-N314 HydrophobicContact CD1-CB 4.37Å; W310-N314 PolarHBondContact O-N 3.46Å; W310-N314 PolarHBondContact O-ND2 3.01Å; W310-N314 VanDerWaalsContact O-ND2 3.09Å; S311-N314 WeakPolarHBondContact O-CB 3.36Å; S311-N314 PolarHBondContact O-N 2.75Å; L312-N314 VanDerWaalsContact C-N 3.28Å; L312-N314 PolarHBondContact O-N 3.15Å; N314-T317 PolarHBondContact O-N 3Å; N314-A318 PolarHBondContact O-N 3.49Å; N314-M351 WeakPolarHBondContact OD1-CE 3.48Å
315	A	88.3	Confident	88.8	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-65	-46.1	179.1	0	0	0	0	0	112.4	I277 P282 A285 V286 L289 S311 L312 T317 A318 L319	I277-A315 HydrophobicContact CD1-CB 4.1Å; I277-A315 HydrophobicContact CG1-CB 4.29Å; P282-A315 HydrophobicContact CB-CB 4.34Å; A285-A315 HydrophobicContact CB-CB 4.49Å; V286-A315 HydrophobicContact CG2-CB 3.8Å; L289-A315 HydrophobicContact CD1-CB 4.45Å; S311-A315 PolarHBondContact O-N 3.14Å; L312-A315 PolarHBondContact O-N 2.93Å; A315-T317 VanDerWaalsContact C-N 3.34Å; A315-T317 PolarHBondContact O-N 3.18Å; A315-A318 WeakPolarHBondContact O-CB 3.35Å; A315-A318 PolarHBondContact O-N 3.46Å; A315-A318 VanDerWaalsContact O-N 3.14Å; A315-L319 WeakPolarHBondContact O-CG 3.21Å; A315-L319 PolarHBondContact O-N 2.99Å
316	Y	89.1	Confident	88.9	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.9	-35.5	175.9	-67.3	-56.1	0	0	0	113	V286 L312 A318 L319 K320 R321 L324 E584	V286-Y316 HydrophobicContact CG1-CE1 4.08Å; V286-Y316 HydrophobicContact CG2-CD1 4.15Å; V286-Y316 HydrophobicContact CG2-CE1 3.77Å; L312-Y316 HydrophobicContact CB-CD2 4.17Å; L312-Y316 HydrophobicContact CB-CE2 3.85Å; L312-Y316 HydrophobicContact CD2-CE2 4Å; L312-Y316 HydrophobicContact CG-CE2 4.41Å; L312-Y316 WeakPolarHBondContact O-CD2 3.19Å; L312-Y316 PolarHBondContact O-N 3.46Å; Y316-A318 VanDerWaalsContact C-N 3.31Å; Y316-A318 PolarHBondContact O-N 3.07Å; Y316-L319 HydrophobicContact CD1-CD1 4.26Å; Y316-L319 CarbonylContact O-C 3.51Å; Y316-L319 PolarHBondContact O-N 3.12Å; Y316-K320 PolarHBondContact O-N 3.41Å; Y316-R321 HydrophobicContact CD1-CB 4.26Å; Y316-R321 PolarHBondContact O-N 3.45Å; Y316-L324 HydrophobicContact CD1-CB 3.96Å; Y316-L324 HydrophobicContact CD1-CD1 4.08Å; Y316-L324 HydrophobicContact CD2-CB 3.94Å; Y316-L324 HydrophobicContact CE1-CB 4.25Å; Y316-L324 HydrophobicContact CE1-CD1 3.91Å; Y316-L324 HydrophobicContact CE2-CB 4.25Å; Y316-L324 HydrophobicContact CG-CB 3.81Å; Y316-E584 VanDerWaalsContact CE1-OE1 3.26Å; Y316-E584 WeakPolarHBondContact CE1-OE1 3.38Å; Y316-E584 WeakPolarHBondContact CE1-OE2 3.38Å; Y316-E584 PolarHBondContact OH-OE1 3.49Å; Y316-E584 PolarHBondContact OH-OE2 2.91Å
317	T	89.1	Confident	88.8	Confident	15 Å²	15	33.4 Å²	33.4	9%	0.092	16%	0.155	C	C	.	.	H	α-helix	trans	-62.7	-39.6	172.3	-57.2	0	0	0	0	111.1	A313 N314 A315 K320 Y322 A325 L358	A313-T317 WeakPolarHBondContact O-CB 3.48Å; A313-T317 PolarHBondContact O-N 3.5Å; A313-T317 PolarHBondContact O-OG1 3.35Å; N314-T317 PolarHBondContact O-N 3Å; A315-T317 VanDerWaalsContact C-N 3.34Å; A315-T317 PolarHBondContact O-N 3.18Å; T317-K320 PolarHBondContact O-N 3.24Å; T317-Y322 HydrophobicContact CG2-CE1 4.14Å; T317-A325 WeakPolarHBondContact OG1-CB 3.43Å; T317-L358 HydrophobicContact CG2-CD1 3.81Å
318	A	88.6	Confident	88.9	Confident	38 Å²	38	30.9 Å²	30.9	31%	0.314	15%	0.146	S	C	.	.	H	α-helix	trans	-68.9	-34.9	174	0	0	0	0	0	112.9	P282 N314 A315 Y316 K320	P282-A318 HydrophobicContact CB-CB 3.88Å; P282-A318 HydrophobicContact CG-CB 3.93Å; N314-A318 PolarHBondContact O-N 3.49Å; A315-A318 WeakPolarHBondContact O-CB 3.35Å; A315-A318 PolarHBondContact O-N 3.46Å; A315-A318 VanDerWaalsContact O-N 3.14Å; Y316-A318 VanDerWaalsContact C-N 3.31Å; Y316-A318 PolarHBondContact O-N 3.07Å; A318-K320 PolarHBondContact O-N 2.84Å
319	L	89.5	Confident	89	Confident	67 Å²	67	30.9 Å²	30.9	35%	0.351	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-5.7	171.6	-71.6	167	0	0	0	114	P282 V286 A315 Y316 R321	P282-L319 HydrophobicContact CB-CD2 4.36Å; P282-L319 HydrophobicContact CB-CG 3.96Å; P282-L319 HydrophobicContact CG-CD2 3.84Å; P282-L319 HydrophobicContact CG-CG 3.87Å; V286-L319 HydrophobicContact CG2-CD1 3.88Å; A315-L319 WeakPolarHBondContact O-CG 3.21Å; A315-L319 PolarHBondContact O-N 2.99Å; Y316-L319 HydrophobicContact CD1-CD1 4.26Å; Y316-L319 CarbonylContact O-C 3.51Å; Y316-L319 PolarHBondContact O-N 3.12Å; L319-R321 HydrophobicContact CB-CG 4.35Å; L319-R321 PolarHBondContact O-N 3.2Å
320	K	91.2	Very high	88.9	Confident	134 Å²	134	35 Å²	35	58%	0.583	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.8	17.8	-173.1	-47.9	-177.8	-176	172.4	0	114.8	Y316 T317 A318 Y322	Y316-K320 PolarHBondContact O-N 3.41Å; T317-K320 PolarHBondContact O-N 3.24Å; A318-K320 PolarHBondContact O-N 2.84Å; K320-Y322 HydrophobicContact CB-CD2 4.42Å; K320-Y322 HydrophobicContact CB-CE2 3.62Å; K320-Y322 HydrophobicContact CG-CE2 4.32Å; K320-Y322 WeakPolarHBondContact O-CD2 3.37Å; K320-Y322 WeakPolarHBondContact O-CE2 3.44Å; K320-Y322 PolarHBondContact O-N 3.28Å; K320-Y322 VanDerWaalsContact O-N 3.08Å
321	R	88.1	Confident	88.9	Confident	90 Å²	90	32.4 Å²	32.4	34%	0.34	15%	0.154	S	C	.	.			trans	-84	67.5	170.6	-64.2	179.6	83.6	176.9	4	109.1	Y316 L319 D323 L324 A325 E584 E587	Y316-R321 HydrophobicContact CD1-CB 4.26Å; Y316-R321 PolarHBondContact O-N 3.45Å; L319-R321 HydrophobicContact CB-CG 4.35Å; L319-R321 PolarHBondContact O-N 3.2Å; R321-D323 WeakPolarHBondContact CA-OD1 3.18Å; R321-D323 PolarHBondContact O-N 3.41Å; R321-L324 HydrophobicContact CB-CB 4.36Å; R321-L324 HydrophobicContact CB-CD1 4.12Å; R321-L324 VanDerWaalsContact CZ-CD1 3.41Å; R321-L324 VanDerWaalsContact NE-CD1 3.26Å; R321-L324 PolarHBondContact O-N 3.28Å; R321-A325 PolarHBondContact O-N 3.08Å; R321-E584 IonicContact CZ-OE1 3.44Å; R321-E584 VanDerWaalsContact CZ-OE1 3.24Å; R321-E584 IonicContact NH1-OE1 3.09Å; R321-E584 PolarHBondContact NH1-OE1 3.24Å; R321-E584 IonicContact NH2-OE1 2.83Å; R321-E587 IonicContact NH2-OE2 3.66Å
322	Y	89	Confident	88.8	Confident	20 Å²	20	32.6 Å²	32.6	8%	0.078	15%	0.154	C	C	.	.	H	α-helix	trans	-65.6	-26.5	-169.9	-60.2	-66.2	0	0	0	113.9	T317 K320 L326 I355 L358 M359 I362	T317-Y322 HydrophobicContact CG2-CE1 4.14Å; K320-Y322 HydrophobicContact CB-CD2 4.42Å; K320-Y322 HydrophobicContact CB-CE2 3.62Å; K320-Y322 HydrophobicContact CG-CE2 4.32Å; K320-Y322 WeakPolarHBondContact O-CD2 3.37Å; K320-Y322 WeakPolarHBondContact O-CE2 3.44Å; K320-Y322 PolarHBondContact O-N 3.28Å; K320-Y322 VanDerWaalsContact O-N 3.08Å; Y322-L326 WeakPolarHBondContact O-CB 3.44Å; Y322-L326 PolarHBondContact O-N 3.49Å; Y322-I355 HydrophobicContact CD1-CG2 4.34Å; Y322-I355 WeakPolarHBondContact O-CG2 3.41Å; Y322-L358 HydrophobicContact CD1-CB 3.96Å; Y322-L358 HydrophobicContact CD1-CD1 3.97Å; Y322-L358 HydrophobicContact CE1-CB 3.78Å; Y322-L358 HydrophobicContact CE1-CD1 3.46Å; Y322-L358 VanDerWaalsContact CE1-CD1 3.46Å; Y322-L358 HydrophobicContact CE1-CG 4.21Å; Y322-L358 HydrophobicContact CG-CB 4.49Å; Y322-M359 HydrophobicContact CG-CG 4.24Å; Y322-I362 HydrophobicContact CD2-CD1 3.75Å; Y322-I362 HydrophobicContact CE2-CD1 3.2Å
323	D	85.4	Confident	88.9	Confident	77 Å²	77	36.2 Å²	36.2	41%	0.412	17%	0.168	S	C	.	.	H	α-helix	trans	-57.4	-55.3	168.2	58.3	-47.8	0	0	0	111.5	R321 L326 R327	R321-D323 WeakPolarHBondContact CA-OD1 3.18Å; R321-D323 PolarHBondContact O-N 3.41Å; D323-L326 PolarHBondContact O-N 3.08Å; D323-R327 WeakPolarHBondContact O-CB 2.91Å; D323-R327 WeakPolarHBondContact O-CG 3.47Å; D323-R327 PolarHBondContact O-N 3.02Å
324	L	87	Confident	88.9	Confident	10 Å²	10	38.4 Å²	38.4	5%	0.052	18%	0.176	C	C	.	.	H	α-helix	trans	-68.7	-34.3	178	-67.6	168.5	0	0	0	112.4	Y316 R321 R327 C328 E584	Y316-L324 HydrophobicContact CD1-CB 3.96Å; Y316-L324 HydrophobicContact CD1-CD1 4.08Å; Y316-L324 HydrophobicContact CD2-CB 3.94Å; Y316-L324 HydrophobicContact CE1-CB 4.25Å; Y316-L324 HydrophobicContact CE1-CD1 3.91Å; Y316-L324 HydrophobicContact CE2-CB 4.25Å; Y316-L324 HydrophobicContact CG-CB 3.81Å; R321-L324 HydrophobicContact CB-CB 4.36Å; R321-L324 HydrophobicContact CB-CD1 4.12Å; R321-L324 VanDerWaalsContact CZ-CD1 3.41Å; R321-L324 VanDerWaalsContact NE-CD1 3.26Å; R321-L324 PolarHBondContact O-N 3.28Å; L324-R327 WeakPolarHBondContact O-CB 3.38Å; L324-R327 PolarHBondContact O-N 2.94Å; L324-C328 WeakPolarHBondContact O-CB 3.42Å; L324-C328 PolarHBondContact O-N 2.75Å; L324-C328 PolarHBondContact O-SG 2.96Å; L324-E584 WeakPolarHBondContact CD1-OE1 3.42Å; L324-E584 WeakPolarHBondContact CD1-OE2 3.41Å
325	A	88	Confident	88.9	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60.7	-51.8	173	0	0	0	0	0	111.1	T317 R321 R327 C328 S329 I355	T317-A325 WeakPolarHBondContact OG1-CB 3.43Å; R321-A325 PolarHBondContact O-N 3.08Å; A325-R327 VanDerWaalsContact C-N 3.31Å; A325-R327 PolarHBondContact O-N 3.07Å; A325-C328 PolarHBondContact O-N 2.76Å; A325-S329 PolarHBondContact O-N 3.42Å; A325-S329 PolarHBondContact O-OG 3.25Å; A325-I355 HydrophobicContact CB-CD1 3.67Å; A325-I355 HydrophobicContact CB-CG1 4.28Å; A325-I355 HydrophobicContact CB-CG2 4.35Å
326	L	88.5	Confident	88.9	Confident	24 Å²	24	37.6 Å²	37.6	13%	0.126	17%	0.172	C	C	.	.	H	α-helix	trans	-60	-41.6	178.3	179	61.8	0	0	0	111.8	Y322 D323 S329 K330 I352 I355 M359	Y322-L326 WeakPolarHBondContact O-CB 3.44Å; Y322-L326 PolarHBondContact O-N 3.49Å; D323-L326 PolarHBondContact O-N 3.08Å; L326-S329 PolarHBondContact O-N 3.32Å; L326-K330 WeakPolarHBondContact O-CG 3.29Å; L326-K330 PolarHBondContact O-N 3.31Å; L326-I352 HydrophobicContact CD1-CB 4.31Å; L326-I352 HydrophobicContact CD1-CG1 4.18Å; L326-I352 HydrophobicContact CD1-CG2 3.86Å; L326-I355 HydrophobicContact CB-CG2 3.91Å; L326-M359 HydrophobicContact CD2-SD 4.13Å
327	R	87.2	Confident	89	Confident	67 Å²	67	41.6 Å²	41.6	25%	0.253	20%	0.199	S	C	.	.	H	α-helix	trans	-57.9	-50.7	174.2	-76.3	173.5	157	-171.2	-12.6	111.6	D323 L324 A325 S329 K330 R331 L577 D580	D323-R327 WeakPolarHBondContact O-CB 2.91Å; D323-R327 WeakPolarHBondContact O-CG 3.47Å; D323-R327 PolarHBondContact O-N 3.02Å; L324-R327 WeakPolarHBondContact O-CB 3.38Å; L324-R327 PolarHBondContact O-N 2.94Å; A325-R327 VanDerWaalsContact C-N 3.31Å; A325-R327 PolarHBondContact O-N 3.07Å; R327-S329 PolarHBondContact O-N 2.75Å; R327-K330 PolarHBondContact O-N 3.03Å; R327-R331 PolarHBondContact O-N 3.47Å; R327-R331 VanDerWaalsContact O-N 3.1Å; R327-L577 HydrophobicContact CB-CD1 3.5Å; R327-L577 HydrophobicContact CB-CG 4.47Å; R327-L577 HydrophobicContact CG-CD1 3.43Å; R327-L577 VanDerWaalsContact CG-CD1 3.43Å; R327-D580 IonicContact CZ-OD2 2.65Å; R327-D580 VanDerWaalsContact NH1-CB 3.3Å; R327-D580 IonicContact NH1-OD2 3.15Å; R327-D580 PolarHBondContact NH1-OD2 2.91Å; R327-D580 IonicContact NH2-OD2 2.88Å; R327-D580 PolarHBondContact NH2-OD2 3.49Å
328	C	88.1	Confident	89.1	Confident	4 Å²	4	46.4 Å²	46.4	3%	0.027	22%	0.221	C	C	.	.	H	α-helix	trans	-62.6	-42	176	-71.2	0	0	0	0	112.5	H309 L312 A313 L324 A325 K330 R331 H332	H309-C328 WeakPolarHBondContact O-CB 3.48Å; L312-C328 HydrophobicContact CB-CB 4.48Å; A313-C328 HydrophobicContact CB-CB 3.76Å; L324-C328 WeakPolarHBondContact O-CB 3.42Å; L324-C328 PolarHBondContact O-N 2.75Å; L324-C328 PolarHBondContact O-SG 2.96Å; A325-C328 PolarHBondContact O-N 2.76Å; C328-K330 PolarHBondContact O-N 2.75Å; C328-R331 PolarHBondContact O-N 2.88Å; C328-H332 WeakPolarHBondContact O-CB 3.41Å; C328-H332 PolarHBondContact O-N 3.19Å
329	S	91.2	Very high	89.1	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64.3	-37.4	176.5	-51.1	0	0	0	0	112.8	A313 A325 L326 R327 H332 R333 M351 I355	A313-S329 WeakPolarHBondContact CB-OG 3.41Å; A325-S329 PolarHBondContact O-N 3.42Å; A325-S329 PolarHBondContact O-OG 3.25Å; L326-S329 PolarHBondContact O-N 3.32Å; R327-S329 PolarHBondContact O-N 2.75Å; S329-H332 PolarHBondContact O-N 3.01Å; S329-R333 PolarHBondContact O-N 3.46Å; S329-M351 VanDerWaalsContact OG-CG 3.28Å; S329-M351 WeakPolarHBondContact OG-CG 3.36Å; S329-M351 PolarHBondContact OG-SD 3.27Å; S329-I355 WeakPolarHBondContact OG-CD1 3.17Å
330	K	89.9	Confident	89.1	Confident	91 Å²	91	48.1 Å²	48.1	40%	0.396	24%	0.238	S	C	.	.	H	α-helix	trans	-62.1	-44.2	172.8	-78.6	-175.6	175.6	-167.8	0	111.9	L326 R327 C328 R333 R334 I352	L326-K330 WeakPolarHBondContact O-CG 3.29Å; L326-K330 PolarHBondContact O-N 3.31Å; R327-K330 PolarHBondContact O-N 3.03Å; C328-K330 PolarHBondContact O-N 2.75Å; K330-R333 WeakPolarHBondContact O-CB 3.5Å; K330-R333 PolarHBondContact O-N 3.01Å; K330-R334 PolarHBondContact O-N 2.96Å; K330-R334 VanDerWaalsContact O-N 3.08Å; K330-I352 HydrophobicContact CG-CD1 4.17Å
331	R	89.5	Confident	88.8	Confident	20 Å²	20	44.2 Å²	44.2	8%	0.075	22%	0.223	C	C	.	.	H	α-helix	trans	-67.5	-41.3	177	-171.8	57.9	172.1	-122.3	-19.7	112	E305 H309 R327 C328 R333 R334 I335 D574 L577 D578	E305-R331 IonicContact OE1-CZ 2.73Å; E305-R331 IonicContact OE1-NE 2.79Å; E305-R331 PolarHBondContact OE1-NE 2.95Å; E305-R331 IonicContact OE1-NH2 3.71Å; E305-R331 PolarHBondContact OE1-NH2 3.19Å; H309-R331 VanDerWaalsContact CD2-CG 3.49Å; H309-R331 WeakPolarHBondContact CD2-CG 3.33Å; H309-R331 WeakPolarHBondContact NE2-CG 3.48Å; R327-R331 PolarHBondContact O-N 3.47Å; R327-R331 VanDerWaalsContact O-N 3.1Å; C328-R331 PolarHBondContact O-N 2.88Å; R331-R333 VanDerWaalsContact C-N 3.31Å; R331-R333 PolarHBondContact O-N 3.43Å; R331-R334 PolarHBondContact O-N 3.37Å; R331-I335 HydrophobicContact CG-CD1 3.96Å; R331-I335 VanDerWaalsContact O-CG1 3.3Å; R331-I335 WeakPolarHBondContact O-CG1 3.33Å; R331-I335 PolarHBondContact O-N 2.93Å; R331-D574 IonicContact CZ-OD2 2.74Å; R331-D574 IonicContact NH1-OD2 3.92Å; R331-D574 PolarHBondContact NH1-OD2 3.41Å; R331-L577 HydrophobicContact CB-CD2 3.98Å; R331-D578 IonicContact CZ-OD2 2.69Å; R331-D578 IonicContact NH1-OD2 2.71Å; R331-D578 PolarHBondContact NH1-OD2 2.8Å; R331-D578 IonicContact NH2-OD1 3.91Å; R331-D578 IonicContact NH2-OD2 3.02Å; R331-D578 PolarHBondContact NH2-OD2 3.16Å
332	H	90.1	Very high	88.8	Confident	8 Å²	8	44.8 Å²	44.8	4%	0.037	24%	0.237	C	C	.	.	H	α-helix	trans	-56.3	-42.9	170.7	177.8	58.5	0	0	0	111.7	G306 H309 W310 C328 S329 I335 A336 G344 A348	G306-H332 PolarHBondContact O-ND1 3.21Å; H309-H332 HydrophobicContact CB-CB 4.17Å; W310-H332 AromaticContact CG-NE2 3.99Å; C328-H332 WeakPolarHBondContact O-CB 3.41Å; C328-H332 PolarHBondContact O-N 3.19Å; S329-H332 PolarHBondContact O-N 3.01Å; H332-I335 PolarHBondContact O-N 3.11Å; H332-A336 WeakPolarHBondContact O-CB 3.46Å; H332-A336 PolarHBondContact O-N 3.17Å; H332-G344 PolarHBondContact NE2-O 3.24Å; H332-A348 VanDerWaalsContact CD2-CB 3.49Å; H332-A348 WeakPolarHBondContact CD2-CB 3.37Å
333	R	91.3	Very high	88.5	Confident	76 Å²	76	46.5 Å²	46.5	29%	0.287	25%	0.25	S	C	.	.	H	α-helix	trans	-58.9	-47.6	174.4	-167.5	-173.8	68.2	103	-1.8	112.4	S329 K330 R331 A336 C337 Y345 A348 I352	S329-R333 PolarHBondContact O-N 3.46Å; K330-R333 WeakPolarHBondContact O-CB 3.5Å; K330-R333 PolarHBondContact O-N 3.01Å; R331-R333 VanDerWaalsContact C-N 3.31Å; R331-R333 PolarHBondContact O-N 3.43Å; R333-A336 PolarHBondContact O-N 2.97Å; R333-C337 WeakPolarHBondContact O-CB 3.37Å; R333-C337 PolarHBondContact O-N 3.19Å; R333-Y345 HydrophobicContact CG-CD2 3.62Å; R333-Y345 HydrophobicContact CG-CE2 3.39Å; R333-Y345 PolarHBondContact NH1-OH 2.9Å; R333-Y345 VanDerWaalsContact NH1-OH 3.15Å; R333-A348 HydrophobicContact CB-CB 3.57Å; R333-A348 HydrophobicContact CG-CB 4.08Å; R333-I352 HydrophobicContact CB-CD1 4.36Å
334	R	90.7	Very high	88.4	Confident	45 Å²	45	42.9 Å²	42.9	17%	0.17	23%	0.23	C	C	.	.	H	α-helix	trans	-62.3	-43.8	179.3	-161.7	-165.8	-132.5	103.9	-11.6	110.9	K330 R331 C337 Q338 Q570 D571 D574	K330-R334 PolarHBondContact O-N 2.96Å; K330-R334 VanDerWaalsContact O-N 3.08Å; R331-R334 PolarHBondContact O-N 3.37Å; R334-C337 PolarHBondContact O-N 3.43Å; R334-Q338 WeakPolarHBondContact O-CG 3.48Å; R334-Q338 PolarHBondContact O-N 3.44Å; R334-Q570 VanDerWaalsContact NH2-C 3.33Å; R334-Q570 PolarHBondContact NH2-O 3.47Å; R334-D571 IonicContact CZ-OD1 3.31Å; R334-D571 IonicContact NH2-OD1 3.63Å; R334-D571 PolarHBondContact NH2-OD1 3.36Å; R334-D574 IonicContact CZ-OD1 2.76Å; R334-D574 IonicContact CZ-OD2 3.12Å; R334-D574 IonicContact NE-OD2 2.66Å; R334-D574 IonicContact NH1-OD1 3.88Å; R334-D574 PolarHBondContact NH1-OD1 3.45Å; R334-D574 IonicContact NH1-OD2 2.76Å; R334-D574 PolarHBondContact NH1-OD2 3.44Å; R334-D574 VanDerWaalsContact NH1-OD2 3.1Å; R334-D574 IonicContact NH2-OD1 3.7Å
335	I	86.9	Confident	88.3	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-65.1	-47.6	178.7	-66.7	167.8	0	0	0	111.3	R302 E305 R331 H332 C337 Q338 L339	R302-I335 HydrophobicContact CG-CG2 4.13Å; R302-I335 VanDerWaalsContact O-CG2 3.27Å; R302-I335 WeakPolarHBondContact O-CG2 3.02Å; E305-I335 HydrophobicContact CB-CD1 4.17Å; E305-I335 HydrophobicContact CG-CD1 3.78Å; R331-I335 HydrophobicContact CG-CD1 3.96Å; R331-I335 VanDerWaalsContact O-CG1 3.3Å; R331-I335 WeakPolarHBondContact O-CG1 3.33Å; R331-I335 PolarHBondContact O-N 2.93Å; H332-I335 PolarHBondContact O-N 3.11Å; I335-C337 VanDerWaalsContact C-N 3.29Å; I335-C337 PolarHBondContact O-N 2.94Å; I335-Q338 PolarHBondContact O-N 3.29Å; I335-Q338 VanDerWaalsContact O-N 3.16Å; I335-L339 HydrophobicContact CG2-CD1 3.7Å; I335-L339 HydrophobicContact CG2-CG 4.29Å; I335-L339 WeakPolarHBondContact O-CG 3.35Å; I335-L339 PolarHBondContact O-N 3.49Å
336	A	88.1	Confident	88.2	Confident	3 Å²	3	51.2 Å²	51.2	3%	0.025	27%	0.268	C	S	.	.	H	α-helix	trans	-60.8	-38.7	177.9	0	0	0	0	0	112.2	H332 R333 L339 G340 D341	H332-A336 WeakPolarHBondContact O-CB 3.46Å; H332-A336 PolarHBondContact O-N 3.17Å; R333-A336 PolarHBondContact O-N 2.97Å; A336-L339 PolarHBondContact O-N 3.5Å; A336-G340 PolarHBondContact O-N 3.15Å; A336-D341 HydrophobicContact CB-CB 4.36Å; A336-D341 PolarHBondContact O-N 3.5Å
337	C	91.6	Very high	88.1	Confident	84 Å²	84	50.9 Å²	50.9	57%	0.568	27%	0.267	S	S	*	.	H	α-helix	trans	-61.2	-46.8	172.9	-177.2	0	0	0	0	112.2	R333 R334 I335 L339 G340 Y345	R333-C337 WeakPolarHBondContact O-CB 3.37Å; R333-C337 PolarHBondContact O-N 3.19Å; R334-C337 PolarHBondContact O-N 3.43Å; I335-C337 VanDerWaalsContact C-N 3.29Å; I335-C337 PolarHBondContact O-N 2.94Å; C337-L339 VanDerWaalsContact C-N 3.32Å; C337-L339 PolarHBondContact O-N 3Å; C337-G340 PolarHBondContact O-N 2.93Å; C337-Y345 HydrophobicContact CB-CD2 4Å; C337-Y345 HydrophobicContact CB-CE2 4.23Å
338	Q	91.2	Very high	87.9	Confident	116 Å²	116	47.7 Å²	47.7	54%	0.542	26%	0.255	S	S	.	.	H	α-helix	trans	-64.8	-32.4	177.6	-72.6	172.1	-18.7	0	0	113.7	R302 R334 I335	R302-Q338 VanDerWaalsContact NE-OE1 3.15Å; R334-Q338 WeakPolarHBondContact O-CG 3.48Å; R334-Q338 PolarHBondContact O-N 3.44Å; I335-Q338 PolarHBondContact O-N 3.29Å; I335-Q338 VanDerWaalsContact O-N 3.16Å
339	L	88	Confident	88	Confident	83 Å²	83	52 Å²	52	44%	0.435	28%	0.275	S	S	.	.	H	α-helix	trans	-83.2	-12.5	177.4	-67.8	172.6	0	0	0	113.5	R302 I303 I335 A336 C337 D341	R302-L339 HydrophobicContact CB-CD2 4.3Å; R302-L339 HydrophobicContact CG-CD2 4.27Å; I303-L339 HydrophobicContact CG1-CD1 4.09Å; I303-L339 HydrophobicContact CG1-CD2 4.18Å; I335-L339 HydrophobicContact CG2-CD1 3.7Å; I335-L339 HydrophobicContact CG2-CG 4.29Å; I335-L339 WeakPolarHBondContact O-CG 3.35Å; I335-L339 PolarHBondContact O-N 3.49Å; A336-L339 PolarHBondContact O-N 3.5Å; C337-L339 VanDerWaalsContact C-N 3.32Å; C337-L339 PolarHBondContact O-N 3Å; L339-D341 VanDerWaalsContact C-N 3.26Å; L339-D341 PolarHBondContact O-N 2.91Å
340	G	90	Very high	87.8	Confident	57 Å²	57	57.3 Å²	57.3	59%	0.588	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	13.9	-169.8	0	0	0	0	0	114.6	A336 C337 T342	A336-G340 PolarHBondContact O-N 3.15Å; C337-G340 PolarHBondContact O-N 2.93Å; G340-T342 PolarHBondContact O-N 3.42Å
341	D	85.7	Confident	87.9	Confident	52 Å²	52	54.1 Å²	54.1	28%	0.278	29%	0.29	S	S	.	.			trans	-74.2	89.1	173.8	-178.4	6.4	0	0	0	110	A336 L339 T343 G344 Y345 R804	A336-D341 HydrophobicContact CB-CB 4.36Å; A336-D341 PolarHBondContact O-N 3.5Å; L339-D341 VanDerWaalsContact C-N 3.26Å; L339-D341 PolarHBondContact O-N 2.91Å; D341-T343 PolarHBondContact O-N 3.48Å; D341-T343 WeakPolarHBondContact OD1-CA 3.44Å; D341-T343 WeakPolarHBondContact OD1-CB 3.3Å; D341-T343 PolarHBondContact OD1-N 3.33Å; D341-G344 PolarHBondContact O-N 3.29Å; D341-G344 PolarHBondContact OD1-N 3.46Å; D341-G344 VanDerWaalsContact OD2-CA 3.28Å; D341-G344 WeakPolarHBondContact OD2-CA 3.15Å; D341-G344 PolarHBondContact OD2-N 3.44Å; D341-G344 VanDerWaalsContact OD2-N 3.15Å; D341-Y345 WeakPolarHBondContact O-CB 3.08Å; D341-Y345 PolarHBondContact O-N 3.4Å; D341-R804 IonicContact OD1-NH2 3.24Å; D341-R804 IonicContact OD2-CZ 3.09Å; D341-R804 IonicContact OD2-NH2 3.08Å; D341-R804 PolarHBondContact OD2-NH2 3.35Å
342	T	87.2	Confident	88	Confident	102 Å²	102	54.7 Å²	54.7	63%	0.626	29%	0.294	S	S	*	.	H	α-helix	trans	-57.6	-31	174.9	55.2	0	0	0	0	112.7	G340 M346	G340-T342 PolarHBondContact O-N 3.42Å; T342-M346 WeakPolarHBondContact O-CG 3.24Å; T342-M346 PolarHBondContact O-N 2.97Å; T342-M346 VanDerWaalsContact O-N 3.14Å
343	T	84	Confident	88	Confident	57 Å²	57	55.9 Å²	55.9	35%	0.35	31%	0.308	S	S	.	.	H	α-helix	trans	-79.4	-41.8	-178.8	-48.3	0	0	0	0	110.5	D341 Y345 M346 T347 L807	D341-T343 PolarHBondContact O-N 3.48Å; D341-T343 WeakPolarHBondContact OD1-CA 3.44Å; D341-T343 WeakPolarHBondContact OD1-CB 3.3Å; D341-T343 PolarHBondContact OD1-N 3.33Å; T343-Y345 VanDerWaalsContact C-N 3.32Å; T343-M346 PolarHBondContact O-N 2.84Å; T343-T347 PolarHBondContact O-N 3.27Å; T343-T347 PolarHBondContact O-OG1 3.16Å; T343-T347 VanDerWaalsContact O-OG1 3.07Å; T343-L807 HydrophobicContact CG2-CD1 3.97Å
344	G	82.6	Confident	87.9	Confident	0 Å²	0	56 Å²	56	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-57.3	-44.4	169.7	0	0	0	0	0	112	H332 D341 M346 T347 A348 R804	H332-G344 PolarHBondContact NE2-O 3.24Å; D341-G344 PolarHBondContact O-N 3.29Å; D341-G344 PolarHBondContact OD1-N 3.46Å; D341-G344 VanDerWaalsContact OD2-CA 3.28Å; D341-G344 WeakPolarHBondContact OD2-CA 3.15Å; D341-G344 PolarHBondContact OD2-N 3.44Å; D341-G344 VanDerWaalsContact OD2-N 3.15Å; G344-M346 PolarHBondContact O-N 3.32Å; G344-T347 VanDerWaalsContact CA-OG1 3.27Å; G344-T347 WeakPolarHBondContact CA-OG1 3.32Å; G344-T347 PolarHBondContact O-N 3.44Å; G344-T347 PolarHBondContact O-OG1 3.07Å; G344-A348 WeakPolarHBondContact O-CB 3.27Å; G344-A348 PolarHBondContact O-N 3.09Å; G344-R804 VanDerWaalsContact CA-NH2 3.33Å; G344-R804 VanDerWaalsContact N-NH2 3.15Å
345	Y	84.8	Confident	87.9	Confident	62 Å²	62	53.9 Å²	53.9	24%	0.243	30%	0.304	C	S	.	.	H	α-helix	trans	-60.5	-46.9	177	-173.9	-95.9	0	0	0	111.8	R333 C337 D341 T343 A348 Q349	R333-Y345 HydrophobicContact CG-CD2 3.62Å; R333-Y345 HydrophobicContact CG-CE2 3.39Å; R333-Y345 PolarHBondContact NH1-OH 2.9Å; R333-Y345 VanDerWaalsContact NH1-OH 3.15Å; C337-Y345 HydrophobicContact CB-CD2 4Å; C337-Y345 HydrophobicContact CB-CE2 4.23Å; D341-Y345 WeakPolarHBondContact O-CB 3.08Å; D341-Y345 PolarHBondContact O-N 3.4Å; T343-Y345 VanDerWaalsContact C-N 3.32Å; Y345-A348 WeakPolarHBondContact O-CB 2.94Å; Y345-A348 PolarHBondContact O-N 3.11Å; Y345-Q349 HydrophobicContact CD1-CG 4.41Å; Y345-Q349 HydrophobicContact CE1-CG 4.02Å; Y345-Q349 PolarHBondContact O-N 3.31Å; Y345-Q349 PolarHBondContact OH-NE2 2.99Å
346	M	85.6	Confident	88	Confident	123 Å²	123	55.6 Å²	55.6	61%	0.606	32%	0.316	S	S	*	.	H	α-helix	trans	-66.8	-39.7	175.8	-71.9	-169.5	-178.5	0	0	112.9	T342 T343 G344 A348 Q349 L350	T342-M346 WeakPolarHBondContact O-CG 3.24Å; T342-M346 PolarHBondContact O-N 2.97Å; T342-M346 VanDerWaalsContact O-N 3.14Å; T343-M346 PolarHBondContact O-N 2.84Å; G344-M346 PolarHBondContact O-N 3.32Å; M346-A348 VanDerWaalsContact C-N 3.29Å; M346-A348 PolarHBondContact O-N 2.64Å; M346-Q349 PolarHBondContact O-N 3.29Å; M346-L350 WeakPolarHBondContact O-CG 3.35Å; M346-L350 PolarHBondContact O-N 3.32Å
347	T	85.7	Confident	88.1	Confident	17 Å²	17	60.3 Å²	60.3	10%	0.104	34%	0.341	C	S	.	.	H	α-helix	trans	-63.1	-36.2	173.3	43.8	0	0	0	0	112.3	T343 G344 M351 L807	T343-T347 PolarHBondContact O-N 3.27Å; T343-T347 PolarHBondContact O-OG1 3.16Å; T343-T347 VanDerWaalsContact O-OG1 3.07Å; G344-T347 VanDerWaalsContact CA-OG1 3.27Å; G344-T347 WeakPolarHBondContact CA-OG1 3.32Å; G344-T347 PolarHBondContact O-N 3.44Å; G344-T347 PolarHBondContact O-OG1 3.07Å; T347-M351 VanDerWaalsContact O-CB 3.24Å; T347-M351 WeakPolarHBondContact O-CB 3.17Å; T347-M351 PolarHBondContact O-N 2.88Å; T347-L807 HydrophobicContact CG2-CD1 3.45Å; T347-L807 VanDerWaalsContact CG2-CD1 3.45Å
348	A	84.7	Confident	87.9	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-66.1	-44.9	175.3	0	0	0	0	0	111.9	H332 R333 G344 Y345 M346 M351 I352	H332-A348 VanDerWaalsContact CD2-CB 3.49Å; H332-A348 WeakPolarHBondContact CD2-CB 3.37Å; R333-A348 HydrophobicContact CB-CB 3.57Å; R333-A348 HydrophobicContact CG-CB 4.08Å; G344-A348 WeakPolarHBondContact O-CB 3.27Å; G344-A348 PolarHBondContact O-N 3.09Å; Y345-A348 WeakPolarHBondContact O-CB 2.94Å; Y345-A348 PolarHBondContact O-N 3.11Å; M346-A348 VanDerWaalsContact C-N 3.29Å; M346-A348 PolarHBondContact O-N 2.64Å; A348-M351 PolarHBondContact O-N 2.89Å; A348-I352 WeakPolarHBondContact O-CB 3.32Å; A348-I352 WeakPolarHBondContact O-CD1 3.48Å; A348-I352 WeakPolarHBondContact O-CG1 3.43Å; A348-I352 PolarHBondContact O-N 3.22Å
349	Q	88.3	Confident	87.6	Confident	95 Å²	95	53.7 Å²	53.7	44%	0.444	30%	0.302	S	S	.	.	H	α-helix	trans	-61.7	-45.8	176	-75.7	-172.2	-41.9	0	0	112.4	Y345 M346 M351 I352 G353	Y345-Q349 HydrophobicContact CD1-CG 4.41Å; Y345-Q349 HydrophobicContact CE1-CG 4.02Å; Y345-Q349 PolarHBondContact O-N 3.31Å; Y345-Q349 PolarHBondContact OH-NE2 2.99Å; M346-Q349 PolarHBondContact O-N 3.29Å; Q349-M351 PolarHBondContact O-N 2.83Å; Q349-I352 PolarHBondContact O-N 2.76Å; Q349-G353 PolarHBondContact O-N 2.67Å
350	L	88.8	Confident	87.4	Confident	112 Å²	112	52 Å²	52	59%	0.586	30%	0.295	S	S	*	.	H	α-helix	trans	-59.6	-46.4	176.1	-72.7	169.9	0	0	0	111.2	M346 G353 E354	M346-L350 WeakPolarHBondContact O-CG 3.35Å; M346-L350 PolarHBondContact O-N 3.32Å; L350-G353 PolarHBondContact O-N 3.39Å; L350-E354 WeakPolarHBondContact O-CG 3.29Å; L350-E354 PolarHBondContact O-N 2.87Å
351	M	90.7	Very high	86.7	Confident	23 Å²	23	52 Å²	52	11%	0.113	28%	0.282	C	S	.	.	H	α-helix	trans	-64.5	-40.5	179.4	-174.1	175.3	-81.2	0	0	112.7	A313 N314 S329 T347 A348 Q349 E354 I355	A313-M351 HydrophobicContact CB-SD 3.43Å; A313-M351 WeakPolarHBondContact CB-SD 3.41Å; N314-M351 WeakPolarHBondContact OD1-CE 3.48Å; S329-M351 VanDerWaalsContact OG-CG 3.28Å; S329-M351 WeakPolarHBondContact OG-CG 3.36Å; S329-M351 PolarHBondContact OG-SD 3.27Å; T347-M351 VanDerWaalsContact O-CB 3.24Å; T347-M351 WeakPolarHBondContact O-CB 3.17Å; T347-M351 PolarHBondContact O-N 2.88Å; A348-M351 PolarHBondContact O-N 2.89Å; Q349-M351 PolarHBondContact O-N 2.83Å; M351-E354 PolarHBondContact O-N 2.72Å; M351-I355 HydrophobicContact CG-CD1 3.68Å; M351-I355 HydrophobicContact CG-CG1 4.44Å; M351-I355 WeakPolarHBondContact O-CB 3.49Å; M351-I355 WeakPolarHBondContact O-CD1 3.2Å; M351-I355 VanDerWaalsContact O-CG1 3.24Å; M351-I355 WeakPolarHBondContact O-CG1 3.49Å; M351-I355 PolarHBondContact O-N 3.28Å
352	I	91.8	Very high	86.1	Confident	32 Å²	32	52.6 Å²	52.6	16%	0.164	29%	0.285	C	S	.	.	H	α-helix	trans	-58.1	-48.8	172	-72.6	164	0	0	0	110.4	L326 K330 R333 A348 Q349 E354 I355 C356	L326-I352 HydrophobicContact CD1-CB 4.31Å; L326-I352 HydrophobicContact CD1-CG1 4.18Å; L326-I352 HydrophobicContact CD1-CG2 3.86Å; K330-I352 HydrophobicContact CG-CD1 4.17Å; R333-I352 HydrophobicContact CB-CD1 4.36Å; A348-I352 WeakPolarHBondContact O-CB 3.32Å; A348-I352 WeakPolarHBondContact O-CD1 3.48Å; A348-I352 WeakPolarHBondContact O-CG1 3.43Å; A348-I352 PolarHBondContact O-N 3.22Å; Q349-I352 PolarHBondContact O-N 2.76Å; I352-E354 PolarHBondContact O-N 3.46Å; I352-I355 PolarHBondContact O-N 2.71Å; I352-C356 WeakPolarHBondContact O-CB 3.26Å; I352-C356 PolarHBondContact O-N 3.33Å; I352-C356 PolarHBondContact O-SG 3.21Å
353	G	89.8	Confident	84.8	Confident	33 Å²	33	53 Å²	53	34%	0.34	28%	0.279	S	S	.	.	H	α-helix	trans	-62.8	-41.4	179	0	0	0	0	0	113.1	Q349 L350 N357	Q349-G353 PolarHBondContact O-N 2.67Å; L350-G353 PolarHBondContact O-N 3.39Å; G353-N357 PolarHBondContact O-N 2.89Å; G353-N357 PolarHBondContact O-ND2 3.28Å
354	E	90	Very high	83.6	Confident	78 Å²	78	54.9 Å²	54.9	36%	0.364	29%	0.286	S	S	.	.	H	α-helix	trans	-62.4	-51.2	174.5	-72.4	-177.3	-158	0	0	111.1	L350 M351 I352 C356 N357 L358 R814	L350-E354 WeakPolarHBondContact O-CG 3.29Å; L350-E354 PolarHBondContact O-N 2.87Å; M351-E354 PolarHBondContact O-N 2.72Å; I352-E354 PolarHBondContact O-N 3.46Å; E354-C356 PolarHBondContact O-N 3.46Å; E354-N357 WeakPolarHBondContact O-CB 3.26Å; E354-N357 PolarHBondContact O-N 3.31Å; E354-N357 VanDerWaalsContact O-N 3.12Å; E354-L358 WeakPolarHBondContact O-CG 3.41Å; E354-L358 PolarHBondContact O-N 3.12Å; E354-L358 VanDerWaalsContact O-N 3.09Å; E354-R814 IonicContact OE1-CZ 3.34Å; E354-R814 VanDerWaalsContact OE1-CZ 3.27Å; E354-R814 IonicContact OE1-NH1 2.67Å; E354-R814 PolarHBondContact OE1-NH1 2.71Å; E354-R814 IonicContact OE1-NH2 3.34Å; E354-R814 PolarHBondContact OE1-NH2 2.86Å; E354-R814 IonicContact OE2-CZ 3.79Å; E354-R814 IonicContact OE2-NH1 2.68Å; E354-R814 PolarHBondContact OE2-NH1 2.68Å; E354-R814 IonicContact OE2-NH2 3.36Å
355	I	89.5	Confident	82.2	Confident	2 Å²	2	61 Å²	61	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-62.1	-42.1	-179.2	-66.4	161.4	0	0	0	112.1	Y322 A325 L326 S329 M351 I352 N357 L358 M359	Y322-I355 HydrophobicContact CD1-CG2 4.34Å; Y322-I355 WeakPolarHBondContact O-CG2 3.41Å; A325-I355 HydrophobicContact CB-CD1 3.67Å; A325-I355 HydrophobicContact CB-CG1 4.28Å; A325-I355 HydrophobicContact CB-CG2 4.35Å; L326-I355 HydrophobicContact CB-CG2 3.91Å; S329-I355 WeakPolarHBondContact OG-CD1 3.17Å; M351-I355 HydrophobicContact CG-CD1 3.68Å; M351-I355 HydrophobicContact CG-CG1 4.44Å; M351-I355 WeakPolarHBondContact O-CB 3.49Å; M351-I355 WeakPolarHBondContact O-CD1 3.2Å; M351-I355 VanDerWaalsContact O-CG1 3.24Å; M351-I355 WeakPolarHBondContact O-CG1 3.49Å; M351-I355 PolarHBondContact O-N 3.28Å; I352-I355 PolarHBondContact O-N 2.71Å; I355-N357 VanDerWaalsContact C-N 3.27Å; I355-N357 PolarHBondContact O-N 3.47Å; I355-L358 WeakPolarHBondContact O-CB 3.49Å; I355-L358 PolarHBondContact O-N 2.99Å; I355-M359 HydrophobicContact CG2-SD 4.33Å; I355-M359 WeakPolarHBondContact O-CG 3.37Å; I355-M359 PolarHBondContact O-N 3.29Å
356	C	90.7	Very high	80.6	Confident	37 Å²	37	61.1 Å²	61.1	25%	0.25	33%	0.325	C	S	.	.	H	α-helix	trans	-58.7	-38.5	175.2	-74.3	0	0	0	0	112.3	I352 E354 M359 T360	I352-C356 WeakPolarHBondContact O-CB 3.26Å; I352-C356 PolarHBondContact O-N 3.33Å; I352-C356 PolarHBondContact O-SG 3.21Å; E354-C356 PolarHBondContact O-N 3.46Å; C356-M359 PolarHBondContact O-N 3.3Å; C356-T360 PolarHBondContact O-N 3.11Å; C356-T360 PolarHBondContact O-OG1 2.89Å
357	N	89	Confident	78.8	Confident	101 Å²	101	58.6 Å²	58.6	54%	0.54	32%	0.319	S	S	.	.	H	α-helix	trans	-68.9	-31.2	174.7	-73	-42.7	0	0	0	112.9	G353 E354 I355 T360 N361	G353-N357 PolarHBondContact O-N 2.89Å; G353-N357 PolarHBondContact O-ND2 3.28Å; E354-N357 WeakPolarHBondContact O-CB 3.26Å; E354-N357 PolarHBondContact O-N 3.31Å; E354-N357 VanDerWaalsContact O-N 3.12Å; I355-N357 VanDerWaalsContact C-N 3.27Å; I355-N357 PolarHBondContact O-N 3.47Å; N357-T360 WeakPolarHBondContact CA-OG1 3.37Å; N357-T360 PolarHBondContact O-OG1 2.92Å; N357-N361 WeakPolarHBondContact O-CB 3.25Å; N357-N361 PolarHBondContact O-N 3.37Å; N357-N361 PolarHBondContact O-ND2 3.08Å
358	L	88.7	Confident	77	Confident	21 Å²	21	62 Å²	62	11%	0.11	34%	0.34	C	S	.	.	H	α-helix	trans	-66.6	-42.4	172.8	-58.2	176.9	0	0	0	111	T317 Y322 E354 I355 I362 P817	T317-L358 HydrophobicContact CG2-CD1 3.81Å; Y322-L358 HydrophobicContact CD1-CB 3.96Å; Y322-L358 HydrophobicContact CD1-CD1 3.97Å; Y322-L358 HydrophobicContact CE1-CB 3.78Å; Y322-L358 HydrophobicContact CE1-CD1 3.46Å; Y322-L358 VanDerWaalsContact CE1-CD1 3.46Å; Y322-L358 HydrophobicContact CE1-CG 4.21Å; Y322-L358 HydrophobicContact CG-CB 4.49Å; E354-L358 WeakPolarHBondContact O-CG 3.41Å; E354-L358 PolarHBondContact O-N 3.12Å; E354-L358 VanDerWaalsContact O-N 3.09Å; I355-L358 WeakPolarHBondContact O-CB 3.49Å; I355-L358 PolarHBondContact O-N 2.99Å; L358-I362 WeakPolarHBondContact O-CD1 3.46Å; L358-I362 WeakPolarHBondContact O-CG1 3.5Å; L358-I362 PolarHBondContact O-N 3.28Å; L358-P817 HydrophobicContact CD2-CB 4.36Å; L358-P817 VanDerWaalsContact CD2-CD 3.45Å; L358-P817 HydrophobicContact CD2-CG 3.56Å
359	M	83.6	Confident	74.9	Confident	40 Å²	40	68.9 Å²	68.9	20%	0.197	38%	0.376	C	S	.	.	H	α-helix	trans	-64.1	-43.2	177.5	-66	177.3	73.5	0	0	112.8	Y322 L326 I355 C356 I362 Q363	Y322-M359 HydrophobicContact CG-CG 4.24Å; L326-M359 HydrophobicContact CD2-SD 4.13Å; I355-M359 HydrophobicContact CG2-SD 4.33Å; I355-M359 WeakPolarHBondContact O-CG 3.37Å; I355-M359 PolarHBondContact O-N 3.29Å; C356-M359 PolarHBondContact O-N 3.3Å; M359-I362 PolarHBondContact O-N 3.32Å; M359-Q363 WeakPolarHBondContact O-CG 3.26Å; M359-Q363 PolarHBondContact O-N 3.25Å
360	T	83.4	Confident	72.6	Confident	47 Å²	47	69.9 Å²	69.9	29%	0.288	38%	0.384	S	S	.	.	H	α-helix	trans	-68.7	-39	179.2	53	0	0	0	0	112.5	C356 N357 I362 Q363 I364 I557	C356-T360 PolarHBondContact O-N 3.11Å; C356-T360 PolarHBondContact O-OG1 2.89Å; N357-T360 WeakPolarHBondContact CA-OG1 3.37Å; N357-T360 PolarHBondContact O-OG1 2.92Å; T360-I362 VanDerWaalsContact C-N 3.32Å; T360-I362 PolarHBondContact O-N 3.01Å; T360-Q363 PolarHBondContact O-N 3.39Å; T360-I364 WeakPolarHBondContact O-CG1 3.46Å; T360-I364 PolarHBondContact O-N 3.41Å; T360-I557 HydrophobicContact CG2-CD1 4.36Å
361	N	76.5	Confident	70.1	Confident	59 Å²	59	66.6 Å²	66.6	32%	0.316	38%	0.377	S	S	.	.	H	α-helix	trans	-59.1	-41.8	174.5	-74.1	-30.1	0	0	0	112	N357 Q363 I364 E365	N357-N361 WeakPolarHBondContact O-CB 3.25Å; N357-N361 PolarHBondContact O-N 3.37Å; N357-N361 PolarHBondContact O-ND2 3.08Å; N361-Q363 VanDerWaalsContact C-N 3.34Å; N361-Q363 PolarHBondContact O-N 3.2Å; N361-I364 WeakPolarHBondContact O-CB 3.33Å; N361-I364 PolarHBondContact O-N 3.34Å; N361-I364 VanDerWaalsContact O-N 3.14Å; N361-E365 PolarHBondContact O-N 3.41Å
362	I	72.6	Confident	67.5	Low	63 Å²	63	70 Å²	70	32%	0.323	41%	0.408	S	S	.	.	H	α-helix	trans	-67.6	-33.7	178.6	-69.5	165.6	0	0	0	112.1	Y322 L358 M359 T360 I364 S366	Y322-I362 HydrophobicContact CD2-CD1 3.75Å; Y322-I362 HydrophobicContact CE2-CD1 3.2Å; L358-I362 WeakPolarHBondContact O-CD1 3.46Å; L358-I362 WeakPolarHBondContact O-CG1 3.5Å; L358-I362 PolarHBondContact O-N 3.28Å; M359-I362 PolarHBondContact O-N 3.32Å; T360-I362 VanDerWaalsContact C-N 3.32Å; T360-I362 PolarHBondContact O-N 3.01Å; I362-I364 VanDerWaalsContact C-N 3.34Å; I362-S366 VanDerWaalsContact O-CB 3.3Å; I362-S366 WeakPolarHBondContact O-CB 3.39Å; I362-S366 PolarHBondContact O-N 3.4Å; I362-S366 PolarHBondContact O-OG 3.04Å
363	Q	59.3	Low	64.6	Low	111 Å²	111	72.4 Å²	72.4	52%	0.519	43%	0.428	S	S	.	.	H	α-helix	trans	-66.3	-36.1	171.7	-69.4	178.2	-4	0	0	111.9	M359 T360 N361 S367	M359-Q363 WeakPolarHBondContact O-CG 3.26Å; M359-Q363 PolarHBondContact O-N 3.25Å; T360-Q363 PolarHBondContact O-N 3.39Å; N361-Q363 VanDerWaalsContact C-N 3.34Å; N361-Q363 PolarHBondContact O-N 3.2Å; Q363-S367 WeakPolarHBondContact O-CB 3.34Å; Q363-S367 PolarHBondContact O-N 3Å; Q363-S367 PolarHBondContact O-OG 2.88Å
364	I	60.6	Low	61.7	Low	97 Å²	97	77.4 Å²	77.4	50%	0.497	45%	0.447	S	S	.	.	H	α-helix	trans	-68.5	-45.8	174.6	-64.7	165	0	0	0	111.1	T360 N361 I362 S366 S367 T368	T360-I364 WeakPolarHBondContact O-CG1 3.46Å; T360-I364 PolarHBondContact O-N 3.41Å; N361-I364 WeakPolarHBondContact O-CB 3.33Å; N361-I364 PolarHBondContact O-N 3.34Å; N361-I364 VanDerWaalsContact O-N 3.14Å; I362-I364 VanDerWaalsContact C-N 3.34Å; I364-S366 VanDerWaalsContact C-N 3.34Å; I364-S366 PolarHBondContact O-N 3.41Å; I364-S367 WeakPolarHBondContact CA-OG 3.36Å; I364-S367 PolarHBondContact O-N 2.85Å; I364-S367 PolarHBondContact O-OG 3.45Å; I364-T368 WeakPolarHBondContact O-CG2 3.35Å; I364-T368 PolarHBondContact O-N 2.8Å; I364-T368 PolarHBondContact O-OG1 3.12Å
365	E	52.2	Low	58.7	Low	129 Å²	129	82.6 Å²	82.6	60%	0.603	47%	0.471	S	S	*	.	H	α-helix	trans	-61.1	-42.7	175.2	-71.3	-179	168.6	0	0	111.7	N361 T368 L369	N361-E365 PolarHBondContact O-N 3.41Å; E365-T368 PolarHBondContact O-OG1 2.88Å; E365-L369 PolarHBondContact O-N 3.24Å
366	S	52.1	Low	55.6	Low	64 Å²	64	90.2 Å²	90.2	45%	0.448	51%	0.512	S	S	.	.	H	α-helix	trans	-64	-42.7	176.9	-57.8	0	0	0	0	112.5	I362 I364 I370	I362-S366 VanDerWaalsContact O-CB 3.3Å; I362-S366 WeakPolarHBondContact O-CB 3.39Å; I362-S366 PolarHBondContact O-N 3.4Å; I362-S366 PolarHBondContact O-OG 3.04Å; I364-S366 VanDerWaalsContact C-N 3.34Å; I364-S366 PolarHBondContact O-N 3.41Å; S366-I370 WeakPolarHBondContact O-CG1 3.29Å; S366-I370 PolarHBondContact O-N 3.2Å
367	S	46.2	Very low	52.6	Low	70 Å²	70	94.7 Å²	94.7	49%	0.49	53%	0.533	S	S	.	.	H	α-helix	trans	-71.2	-36.3	-179.1	59.4	0	0	0	0	113.1	Q363 I364 I370 G371	Q363-S367 WeakPolarHBondContact O-CB 3.34Å; Q363-S367 PolarHBondContact O-N 3Å; Q363-S367 PolarHBondContact O-OG 2.88Å; I364-S367 WeakPolarHBondContact CA-OG 3.36Å; I364-S367 PolarHBondContact O-N 2.85Å; I364-S367 PolarHBondContact O-OG 3.45Å; S367-I370 PolarHBondContact O-N 2.86Å; S367-G371 PolarHBondContact O-N 3.37Å
368	T	48.8	Very low	49.8	Very low	89 Å²	89	98.3 Å²	98.3	55%	0.546	55%	0.547	S	S	.	.	H	α-helix	trans	-68.5	-35	176.2	48.4	0	0	0	0	112.6	I364 E365 I370 G371 A372	I364-T368 WeakPolarHBondContact O-CG2 3.35Å; I364-T368 PolarHBondContact O-N 2.8Å; I364-T368 PolarHBondContact O-OG1 3.12Å; E365-T368 PolarHBondContact O-OG1 2.88Å; T368-I370 VanDerWaalsContact C-N 3.34Å; T368-I370 PolarHBondContact O-N 3.03Å; T368-G371 PolarHBondContact O-N 3.34Å; T368-A372 PolarHBondContact O-N 3.16Å
369	L	39.4	Very low	46.6	Very low	144 Å²	144	106.1 Å²	106.1	75%	0.754	59%	0.585	S	S	*	*	H	α-helix	trans	-64.2	-36.7	173.2	-133.5	77.5	0	0	0	112.9	E365	E365-L369 PolarHBondContact O-N 3.24Å
370	I	41.1	Very low	43.7	Very low	116 Å²	116	110.6 Å²	110.6	60%	0.595	61%	0.61	S	S	*	*	H	α-helix	trans	-71.2	-41.8	176.6	-66.2	166.4	0	0	0	110.7	S366 S367 T368 A372 S373	S366-I370 WeakPolarHBondContact O-CG1 3.29Å; S366-I370 PolarHBondContact O-N 3.2Å; S367-I370 PolarHBondContact O-N 2.86Å; T368-I370 VanDerWaalsContact C-N 3.34Å; T368-I370 PolarHBondContact O-N 3.03Å; I370-A372 VanDerWaalsContact C-N 3.28Å; I370-A372 PolarHBondContact O-N 3.41Å; I370-S373 PolarHBondContact O-N 3.27Å; I370-S373 PolarHBondContact O-OG 2.93Å
371	G	37.1	Very low	41	Very low	43 Å²	43	115.3 Å²	115.3	44%	0.443	63%	0.633	S	S	.	*	H	α-helix	trans	-57.6	-37.5	179.3	0	0	0	0	0	113.7	S367 T368 S373 N374	S367-G371 PolarHBondContact O-N 3.37Å; T368-G371 PolarHBondContact O-N 3.34Å; G371-S373 PolarHBondContact O-N 2.85Å; G371-N374 PolarHBondContact O-N 3.2Å
372	A	34.5	Very low	38.6	Very low	94 Å²	94	120.2 Å²	120.2	78%	0.777	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.2	-4.4	179.5	0	0	0	0	0	115.4	T368 I370	T368-A372 PolarHBondContact O-N 3.16Å; I370-A372 VanDerWaalsContact C-N 3.28Å; I370-A372 PolarHBondContact O-N 3.41Å
373	S	31.7	Very low	36.2	Very low	83 Å²	83	121.8 Å²	121.8	58%	0.58	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.2	-7.9	-176.7	68.1	0	0	0	0	115.6	I370 G371	I370-S373 PolarHBondContact O-N 3.27Å; I370-S373 PolarHBondContact O-OG 2.93Å; G371-S373 PolarHBondContact O-N 2.85Å
374	N	28	Very low	34.5	Very low	138 Å²	138	123.2 Å²	123.2	74%	0.738	68%	0.681	S	S	*	*	S	Bend	trans	-132.4	12.6	-168.3	-82.1	-59.7	0	0	0	116.5	G371 N376	G371-N374 PolarHBondContact O-N 3.2Å; N374-N376 PolarHBondContact O-N 3.05Å
375	E	26.9	Very low	32.8	Very low	187 Å²	187	125.8 Å²	125.8	87%	0.874	70%	0.696	S	S	*	*			trans	-94.8	83.2	173.9	-69.3	-158.4	155	0	0	112.5
376	N	26.1	Very low	31.4	Very low	161 Å²	161	124.4 Å²	124.4	86%	0.861	70%	0.701	S	S	*	*			trans	-147.5	39.8	168.3	-134	-11.1	0	0	0	113.4	N374	N374-N376 PolarHBondContact O-N 3.05Å
377	D	27.1	Very low	30	Very low	131 Å²	131	128.3 Å²	128.3	70%	0.701	72%	0.717	S	S	*	*	S	Bend	trans	-149.6	117.6	159.8	-124.3	-30.7	0	0	0	114.3
378	Q	29.1	Very low	29	Very low	178 Å²	178	131 Å²	131	83%	0.832	73%	0.732	S	S	*	*			trans	45.7	119.9	153.3	-68.3	170	72.7	0	0	121.9
379	M	21.8	Very low	27.9	Very low	185 Å²	185	133 Å²	133	91%	0.911	75%	0.745	S	S	*	*			trans	-68.2	159.8	167.6	-69	-161.9	-67.2	0	0	114.4
380	N	23.8	Very low	27.2	Very low	134 Å²	134	132.7 Å²	132.7	72%	0.717	74%	0.743	S	S	*	*			trans	102.8	107.5	135.8	-163.1	18.1	0	0	0	117.9
381	L	27	Very low	26.4	Very low	146 Å²	146	133.1 Å²	133.1	76%	0.764	75%	0.746	S	S	*	*				-176.6	110.2	121.6	-97.9	163.5	0	0	0	114.8
382	Q	24.8	Very low	25.8	Very low	161 Å²	161	140.4 Å²	140.4	75%	0.752	76%	0.761	S	S	*	*			trans	32.7	107.8	139.4	-65.9	178	-30.2	0	0	123.1
383	S	22.8	Very low	25.4	Very low	96 Å²	96	139.7 Å²	139.7	67%	0.671	75%	0.751	S	S	*	*				78.8	134.4	120.4	74.5	0	0	0	0	123.7
384	N	22.7	Very low	25.1	Very low	141 Å²	141	139.9 Å²	139.9	75%	0.754	75%	0.752	S	S	*	*			trans	71.6	100.1	147.5	-57.5	-8.9	0	0	0	120.5
385	N	24.8	Very low	25.2	Very low	151 Å²	151	138.6 Å²	138.6	81%	0.807	75%	0.749	S	S	*	*				-174.6	148.8	92	-96.8	-24.3	0	0	0	115.2
386	S	23.3	Very low	25.4	Very low	100 Å²	100	136.3 Å²	136.3	70%	0.699	74%	0.738	S	S	*	*			trans	48.3	92	147.9	-52.3	0	0	0	0	121.4
387	N	24.1	Very low	25.6	Very low	147 Å²	147	134.2 Å²	134.2	79%	0.786	72%	0.723	S	S	*	*				-174.3	131.4	115.2	-97.6	-13.4	0	0	0	112.1	T389	N387-T389 PolarHBondContact O-N 2.94Å
388	P	24.5	Very low	25.6	Very low	125 Å²	125	131.8 Å²	131.8	81%	0.812	72%	0.717	S	S	*	*			trans	-93.5	83.8	175.6	35.7	-31.5	0	0	0	111.7
389	T	25.6	Very low	25.5	Very low	132 Å²	132	127.2 Å²	127.2	81%	0.81	70%	0.703	S	S	*	*			trans	-72.4	138.5	170	-35.6	0	0	0	0	110	N387 N391	N387-T389 PolarHBondContact O-N 2.94Å; T389-N391 PolarHBondContact O-N 2.71Å
390	I	24.9	Very low	25.9	Very low	138 Å²	138	123.2 Å²	123.2	71%	0.708	69%	0.685	S	S	*	*			trans	-69.5	125.9	-165.1	-53.7	172.2	0	0	0	111.6	Y392	I390-Y392 HydrophobicContact CB-CD2 4.41Å; I390-Y392 HydrophobicContact CG2-CD2 3.48Å; I390-Y392 VanDerWaalsContact CG2-CD2 3.48Å; I390-Y392 HydrophobicContact CG2-CE2 3.73Å; I390-Y392 HydrophobicContact CG2-CG 4.47Å; I390-Y392 PolarHBondContact O-N 3.12Å
391	N	23.7	Very low	26.3	Very low	124 Å²	124	122.1 Å²	122.1	66%	0.663	68%	0.679	S	S	*	*			trans	-90.7	81.8	-175	-168.6	1.8	0	0	0	111.9	T389 S393	T389-N391 PolarHBondContact O-N 2.71Å; N391-S393 PolarHBondContact OD1-OG 2.74Å
392	Y	24.6	Very low	26.4	Very low	196 Å²	196	120.8 Å²	120.8	77%	0.769	67%	0.672	S	S	*	*			trans	-91.1	4	-175.9	-106.5	-66.8	0	0	0	115.4	I390	I390-Y392 HydrophobicContact CB-CD2 4.41Å; I390-Y392 HydrophobicContact CG2-CD2 3.48Å; I390-Y392 VanDerWaalsContact CG2-CD2 3.48Å; I390-Y392 HydrophobicContact CG2-CE2 3.73Å; I390-Y392 HydrophobicContact CG2-CG 4.47Å; I390-Y392 PolarHBondContact O-N 3.12Å
393	S	25.4	Very low	26.6	Very low	79 Å²	79	117.3 Å²	117.3	55%	0.552	66%	0.658	S	S	*	*	S	Bend	trans	-106.7	-0.4	-164.6	57.2	0	0	0	0	116.9	N391	N391-S393 PolarHBondContact OD1-OG 2.74Å
394	S	27.1	Very low	27.1	Very low	87 Å²	87	117.5 Å²	117.5	61%	0.608	65%	0.651	S	S	*	*	S	Bend	trans	-96.2	-9.5	-170.5	60.8	0	0	0	0	116.4
395	V	28.6	Very low	27.5	Very low	112 Å²	112	116.2 Å²	116.2	68%	0.679	65%	0.645	S	S	*	*	S	Bend	trans	-111.9	-34.1	-172.2	-176.5	0	0	0	0	113.3
396	Q	31.2	Very low	27.7	Very low	139 Å²	139	111.8 Å²	111.8	65%	0.65	63%	0.625	S	S	*	*	H	α-helix	trans	-75	-33.8	-178.6	-75.5	-179	-35.6	0	0	113.6	S398 C399 L400	Q396-S398 VanDerWaalsContact C-N 3.27Å; Q396-S398 PolarHBondContact O-N 2.78Å; Q396-C399 PolarHBondContact O-N 3Å; Q396-L400 WeakPolarHBondContact O-CD1 3.45Å; Q396-L400 PolarHBondContact O-N 3.22Å
397	Q	29.9	Very low	28.1	Very low	116 Å²	116	112.9 Å²	112.9	54%	0.542	62%	0.618	S	S	.	*	H	α-helix	trans	-54.7	-39.3	-179.2	-119	75.5	0.3	0	0	113.3
398	S	28.1	Very low	28.5	Very low	81 Å²	81	111.7 Å²	111.7	57%	0.566	61%	0.611	S	S	*	*	H	α-helix	trans	-70.8	-46	-176	-165.1	0	0	0	0	112.1	Q396 L400	Q396-S398 VanDerWaalsContact C-N 3.27Å; Q396-S398 PolarHBondContact O-N 2.78Å; S398-L400 PolarHBondContact O-N 3.49Å
399	C	27.5	Very low	28.8	Very low	81 Å²	81	111.3 Å²	111.3	55%	0.547	60%	0.602	S	S	.	*	H	α-helix	trans	-75	-23	-173.8	-65.4	0	0	0	0	113.7	Q396 I403	Q396-C399 PolarHBondContact O-N 3Å; C399-I403 WeakPolarHBondContact O-CD1 3.48Å; C399-I403 WeakPolarHBondContact O-CG1 3.43Å
400	L	30.1	Very low	29.1	Very low	102 Å²	102	111.3 Å²	111.3	53%	0.534	59%	0.593	S	S	.	*	H	α-helix	trans	-72.4	-32.8	176	-96	77.4	0	0	0	113.1	Q396 S398 N404	Q396-L400 WeakPolarHBondContact O-CD1 3.45Å; Q396-L400 PolarHBondContact O-N 3.22Å; S398-L400 PolarHBondContact O-N 3.49Å; L400-N404 PolarHBondContact O-N 3.24Å; L400-N404 PolarHBondContact O-ND2 3.39Å
401	L	31.8	Very low	29.3	Very low	111 Å²	111	107.6 Å²	107.6	58%	0.581	57%	0.574	S	S	*	*	H	α-helix	trans	-65.6	-44.9	-176.4	-107.8	67.1	0	0	0	112.7	N404 N405	L401-N404 PolarHBondContact O-N 3.38Å; L401-N405 PolarHBondContact O-N 3.2Å
402	D	28.6	Very low	29.7	Very low	117 Å²	117	106.2 Å²	106.2	63%	0.626	57%	0.566	S	S	*	*	H	α-helix	trans	-72.4	-30.8	-176.8	-68.2	-30.1	0	0	0	112.9	N404 S406	D402-N404 VanDerWaalsContact C-N 3.35Å; D402-S406 WeakPolarHBondContact O-CB 3.4Å; D402-S406 PolarHBondContact O-N 3.4Å; D402-S406 PolarHBondContact O-OG 3.17Å
403	I	30.1	Very low	30	Very low	88 Å²	88	101.7 Å²	101.7	45%	0.451	55%	0.554	S	S	.	*	H	α-helix	trans	-69	-34.6	176.2	-65.8	172.6	0	0	0	111.2	C399 S406 K407	C399-I403 WeakPolarHBondContact O-CD1 3.48Å; C399-I403 WeakPolarHBondContact O-CG1 3.43Å; I403-S406 PolarHBondContact O-OG 3.37Å; I403-S406 VanDerWaalsContact O-OG 3.14Å; I403-K407 HydrophobicContact CG2-CD 4.23Å; I403-K407 PolarHBondContact O-N 3.39Å
404	N	32	Very low	30.1	Very low	100 Å²	100	104.7 Å²	104.7	54%	0.535	56%	0.558	S	S	.	*	H	α-helix	trans	-74.4	-42.6	-178.9	-72.8	-24	0	0	0	112.6	L400 L401 D402	L400-N404 PolarHBondContact O-N 3.24Å; L400-N404 PolarHBondContact O-ND2 3.39Å; L401-N404 PolarHBondContact O-N 3.38Å; D402-N404 VanDerWaalsContact C-N 3.35Å
405	N	31.1	Very low	30.3	Very low	114 Å²	114	105.8 Å²	105.8	61%	0.61	56%	0.556	S	S	*	*	H	α-helix	trans	-72.7	-28.6	-179.1	-78.6	-41.9	0	0	0	114	L401 N409	L401-N405 PolarHBondContact O-N 3.2Å; N405-N409 PolarHBondContact O-ND2 2.98Å
406	S	30	Very low	30.3	Very low	58 Å²	58	107.7 Å²	107.7	41%	0.406	56%	0.555	S	S	.	*	H	α-helix	trans	-73.4	-55.3	177.5	46.3	0	0	0	0	111.8	D402 I403 L408 N409 E410	D402-S406 WeakPolarHBondContact O-CB 3.4Å; D402-S406 PolarHBondContact O-N 3.4Å; D402-S406 PolarHBondContact O-OG 3.17Å; I403-S406 PolarHBondContact O-OG 3.37Å; I403-S406 VanDerWaalsContact O-OG 3.14Å; S406-L408 VanDerWaalsContact C-N 3.34Å; S406-L408 PolarHBondContact O-N 3.04Å; S406-N409 PolarHBondContact O-N 2.98Å; S406-E410 PolarHBondContact O-N 3.43Å
407	K	31.4	Very low	30.2	Very low	123 Å²	123	106.7 Å²	106.7	54%	0.535	55%	0.554	S	S	.	*	H	α-helix	trans	-68.7	-24.6	-172.3	-70	-176.9	175.6	-178.2	0	114.9	I403 N409 N411	I403-K407 HydrophobicContact CG2-CD 4.23Å; I403-K407 PolarHBondContact O-N 3.39Å; K407-N409 VanDerWaalsContact C-N 3.34Å; K407-N411 PolarHBondContact O-N 3.31Å; K407-N411 PolarHBondContact O-ND2 3.33Å
408	L	33.1	Very low	30.1	Very low	122 Å²	122	106.7 Å²	106.7	64%	0.639	56%	0.558	S	S	*	*	H	α-helix	trans	-66.7	-37.9	176.3	-159.6	76.8	0	0	0	111.8	S406 I412	S406-L408 VanDerWaalsContact C-N 3.34Å; S406-L408 PolarHBondContact O-N 3.04Å; L408-I412 WeakPolarHBondContact O-CG1 3.37Å; L408-I412 PolarHBondContact O-N 3.27Å
409	N	30.1	Very low	30.1	Very low	117 Å²	117	108.2 Å²	108.2	63%	0.626	56%	0.556	S	S	*	*	H	α-helix	trans	-72	-38.5	179.5	-77.9	-64.3	0	0	0	112.7	N405 S406 K407 I412 L413	N405-N409 PolarHBondContact O-ND2 2.98Å; S406-N409 PolarHBondContact O-N 2.98Å; K407-N409 VanDerWaalsContact C-N 3.34Å; N409-I412 PolarHBondContact O-N 3.16Å; N409-L413 PolarHBondContact O-N 2.86Å; N409-L413 VanDerWaalsContact O-N 3.15Å
410	E	31.6	Very low	30	Very low	133 Å²	133	113.1 Å²	113.1	62%	0.621	57%	0.568	S	S	*	*	H	α-helix	trans	-65.5	-41.3	179.1	-67.1	-172.8	135.8	0	0	112.5	S406 I412 L413 F414	S406-E410 PolarHBondContact O-N 3.43Å; E410-I412 PolarHBondContact O-N 3.37Å; E410-L413 WeakPolarHBondContact O-CB 3.33Å; E410-L413 PolarHBondContact O-N 3.5Å; E410-L413 VanDerWaalsContact O-N 3.14Å; E410-F414 PolarHBondContact O-N 3Å
411	N	29.5	Very low	29.7	Very low	59 Å²	59	114.4 Å²	114.4	32%	0.316	58%	0.575	S	S	.	*	H	α-helix	trans	-65.3	-38.3	178.9	-78.6	-75.3	0	0	0	112.7	K407 L413 F414 L415 P811	K407-N411 PolarHBondContact O-N 3.31Å; K407-N411 PolarHBondContact O-ND2 3.33Å; N411-L413 VanDerWaalsContact C-N 3.28Å; N411-L413 PolarHBondContact O-N 3.04Å; N411-F414 PolarHBondContact O-N 3.32Å; N411-L415 PolarHBondContact O-N 3.31Å; N411-P811 HydrophobicContact CB-CB 3.81Å; N411-P811 HydrophobicContact CB-CG 4.04Å
412	I	31.9	Very low	29.4	Very low	95 Å²	95	114.8 Å²	114.8	49%	0.487	58%	0.584	S	S	.	*	H	α-helix	trans	-67.4	-30.8	174.5	-67.5	171.7	0	0	0	111.3	L408 N409 E410	L408-I412 WeakPolarHBondContact O-CG1 3.37Å; L408-I412 PolarHBondContact O-N 3.27Å; N409-I412 PolarHBondContact O-N 3.16Å; E410-I412 PolarHBondContact O-N 3.37Å
413	L	30	Very low	29.2	Very low	101 Å²	101	115.1 Å²	115.1	53%	0.529	59%	0.594	S	S	.	*	H	α-helix	trans	-76.5	-37.9	177.2	-170.1	62.5	0	0	0	112.4	N409 E410 N411 K416 N417	N409-L413 PolarHBondContact O-N 2.86Å; N409-L413 VanDerWaalsContact O-N 3.15Å; E410-L413 WeakPolarHBondContact O-CB 3.33Å; E410-L413 PolarHBondContact O-N 3.5Å; E410-L413 VanDerWaalsContact O-N 3.14Å; N411-L413 VanDerWaalsContact C-N 3.28Å; N411-L413 PolarHBondContact O-N 3.04Å; L413-K416 PolarHBondContact O-N 2.99Å; L413-N417 PolarHBondContact O-N 3.31Å; L413-N417 PolarHBondContact O-ND2 3.32Å
414	F	28.7	Very low	29	Very low	143 Å²	143	114.4 Å²	114.4	63%	0.627	61%	0.609	S	S	*	*	H	α-helix	trans	-64.6	-45.1	179.8	-164.4	-98.1	0	0	0	112.3	E410 N411 K416 N417	E410-F414 PolarHBondContact O-N 3Å; N411-F414 PolarHBondContact O-N 3.32Å; F414-K416 VanDerWaalsContact C-N 3.33Å; F414-K416 PolarHBondContact O-N 2.87Å; F414-N417 PolarHBondContact O-N 3.04Å
415	L	30.5	Very low	28.6	Very low	109 Å²	109	115.6 Å²	115.6	57%	0.571	62%	0.62	S	S	*	*	H	α-helix	trans	-59.8	-41.1	174.9	-76.5	165.8	0	0	0	112.1	N411 N417 H419	N411-L415 PolarHBondContact O-N 3.31Å; L415-N417 VanDerWaalsContact C-N 3.33Å; L415-N417 PolarHBondContact O-N 3.42Å; L415-H419 PolarHBondContact O-CD2 3.22Å; L415-H419 VanDerWaalsContact O-CD2 3.28Å
416	K	29.7	Very low	28.5	Very low	152 Å²	152	116.9 Å²	116.9	66%	0.661	63%	0.626	S	S	*	*	H	α-helix	trans	-64.8	-32.4	178.1	-81.8	-178.9	174.4	175.8	0	114	L413 F414	L413-K416 PolarHBondContact O-N 2.99Å; F414-K416 VanDerWaalsContact C-N 3.33Å; F414-K416 PolarHBondContact O-N 2.87Å
417	N	28.8	Very low	28.3	Very low	118 Å²	118	120.2 Å²	120.2	63%	0.631	64%	0.639	S	S	*	*	H	α-helix	trans	-78.5	-18.3	-173.1	-74.8	-20.8	0	0	0	114.4	L413 F414 L415	L413-N417 PolarHBondContact O-N 3.31Å; L413-N417 PolarHBondContact O-ND2 3.32Å; F414-N417 PolarHBondContact O-N 3.04Å; L415-N417 VanDerWaalsContact C-N 3.33Å; L415-N417 PolarHBondContact O-N 3.42Å
418	N	26.8	Very low	28.2	Very low	117 Å²	117	121.2 Å²	121.2	63%	0.626	65%	0.651	S	S	*	*	H	α-helix	trans	-92.2	-13.6	177.6	-71.9	-35.4	0	0	0	114	K420	N418-K420 VanDerWaalsContact C-N 3.32Å; N418-K420 PolarHBondContact O-N 3.01Å
419	H	29.7	Very low	27.8	Very low	112 Å²	112	124.4 Å²	124.4	52%	0.519	66%	0.659	S	S	.	*			trans	-77.2	76.8	175.1	-77.9	-67.5	0	0	0	112.7	L415 L421	L415-H419 PolarHBondContact O-CD2 3.22Å; L415-H419 VanDerWaalsContact O-CD2 3.28Å; H419-L421 HydrophobicContact CB-CD1 4.44Å; H419-L421 PolarHBondContact O-N 3.44Å
420	K	24.7	Very low	27.6	Very low	185 Å²	185	124.3 Å²	124.3	80%	0.804	67%	0.667	S	S	*	*			trans	-78.8	52.3	168.3	-153.6	177.8	-173.6	-178.3	0	111.8	N418	N418-K420 VanDerWaalsContact C-N 3.32Å; N418-K420 PolarHBondContact O-N 3.01Å
421	L	24.3	Very low	27.4	Very low	129 Å²	129	123 Å²	123	68%	0.675	67%	0.671	S	S	*	*			trans	-65	127.5	-179.2	-86.4	165.3	0	0	0	111.3	H419 C423	H419-L421 HydrophobicContact CB-CD1 4.44Å; H419-L421 PolarHBondContact O-N 3.44Å; L421-C423 PolarHBondContact O-N 3.09Å; L421-C423 VanDerWaalsContact O-N 3.17Å
422	P	24	Very low	27.1	Very low	119 Å²	119	127.5 Å²	127.5	77%	0.773	69%	0.694	S	S	*	*			trans	-82.6	92.8	178.1	32.4	-33	0	0	0	110.7	G424	P422-G424 VanDerWaalsContact C-N 3.31Å; P422-G424 PolarHBondContact O-N 3.41Å
423	C	24.9	Very low	26.8	Very low	124 Å²	124	129.6 Å²	129.6	84%	0.838	71%	0.706	S	S	*	*			trans	-68.4	85.5	172.8	-69.7	0	0	0	0	111.6	L421	L421-C423 PolarHBondContact O-N 3.09Å; L421-C423 VanDerWaalsContact O-N 3.17Å
424	G	27.2	Very low	26.8	Very low	73 Å²	73	130.1 Å²	130.1	75%	0.753	71%	0.713	S	S	*	*			trans	-62.3	130.7	172	0	0	0	0	0	111.9	P422	P422-G424 VanDerWaalsContact C-N 3.31Å; P422-G424 PolarHBondContact O-N 3.41Å
425	T	23.7	Very low	26.7	Very low	125 Å²	125	129.3 Å²	129.3	77%	0.767	72%	0.715	S	S	*	*			trans	-76.8	138.5	-178.3	51.4	0	0	0	0	112.8
426	N	29	Very low	26.6	Very low	140 Å²	140	130.4 Å²	130.4	75%	0.749	72%	0.721	S	S	*	*			trans	-165.7	104.9	132.4	-101.9	-39.5	0	0	0	114.9
427	N	24.4	Very low	26.6	Very low	128 Å²	128	129.9 Å²	129.9	68%	0.684	73%	0.726	S	S	*	*			trans	45.4	111.9	132.6	-59.5	-34.2	0	0	0	121.1
428	N	28.7	Very low	26.5	Very low	145 Å²	145	128.4 Å²	128.4	78%	0.775	73%	0.725	S	S	*	*				-168.2	143.7	95.5	-99.3	-60.9	0	0	0	114.4
429	K	25.5	Very low	26.7	Very low	188 Å²	188	130.7 Å²	130.7	82%	0.817	74%	0.736	S	S	*	*			trans	7.2	142.5	159.4	-63.2	166.3	-176.5	171.5	0	119.5
430	C	26.1	Very low	26.4	Very low	116 Å²	116	130 Å²	130	78%	0.784	74%	0.743	S	S	*	*			cis	-156.9	-176.2	34.5	-138	0	0	0	0	115.3
431	C	26.6	Very low	26.5	Very low	105 Å²	105	127.4 Å²	127.4	71%	0.709	74%	0.743	S	S	*	*			trans	-51.2	157.9	-171.2	-47.6	0	0	0	0	117.5
432	I	24.8	Very low	26.5	Very low	154 Å²	154	126.6 Å²	126.6	79%	0.79	74%	0.743	S	S	*	*			cis	72.5	129	36.4	-59.2	174.7	0	0	0	110.7
433	D	24.5	Very low	26.6	Very low	138 Å²	138	127.2 Å²	127.2	74%	0.738	75%	0.745	S	S	*	*			cis	-165.6	-175.4	46.7	-149.7	-16.5	0	0	0	115.8
434	V	29.5	Very low	26.6	Very low	112 Å²	112	127.1 Å²	127.1	68%	0.679	74%	0.741	S	S	*	*			trans	100.5	92.4	153.9	-161.5	0	0	0	0	121.5
435	N	27	Very low	26.6	Very low	127 Å²	127	129.6 Å²	129.6	68%	0.679	74%	0.742	S	S	*	*				37	150.2	120.4	-50	-45.9	0	0	0	121.6
436	N	29.5	Very low	26.8	Very low	131 Å²	131	130.2 Å²	130.2	70%	0.701	74%	0.739	S	S	*	*			cis	-177.2	146.7	41.6	-138.3	-14.3	0	0	0	114.1
437	N	28.5	Very low	26.6	Very low	141 Å²	141	127.8 Å²	127.8	75%	0.754	73%	0.733	S	S	*	*			trans	45.3	151.7	138.3	-82.1	-24.4	0	0	0	124.3
438	S	28	Very low	26.6	Very low	87 Å²	87	129 Å²	129	61%	0.608	74%	0.739	S	S	*	*			cis	-177.9	171.9	-2.3	51.7	0	0	0	0	115
439	I	29.1	Very low	27	Very low	166 Å²	166	127.3 Å²	127.3	85%	0.851	74%	0.736	S	S	*	*			trans	92.1	140.8	152.2	-73.6	158.6	0	0	0	120
440	S	23.4	Very low	27.1	Very low	96 Å²	96	123.7 Å²	123.7	67%	0.671	73%	0.73	S	S	*	*			trans	-160.1	150	-176.6	169.7	0	0	0	0	110.9
441	T	27.2	Very low	27	Very low	132 Å²	132	124.4 Å²	124.4	81%	0.81	73%	0.726	S	S	*	*			trans	-155.8	136.2	159	40.8	0	0	0	0	108.9
442	T	24	Very low	26.9	Very low	111 Å²	111	126.2 Å²	126.2	68%	0.681	73%	0.727	S	S	*	*			cis	107.4	103.2	8.1	68.8	0	0	0	0	117.4
443	T	26.7	Very low	26.8	Very low	132 Å²	132	125.4 Å²	125.4	81%	0.81	72%	0.723	S	S	*	*			trans	-155.7	131.9	143.8	30.5	0	0	0	0	106.8
444	T	26	Very low	26.7	Very low	123 Å²	123	125.8 Å²	125.8	76%	0.755	72%	0.724	S	S	*	*			cis	72.9	140.2	31.4	76.6	0	0	0	0	114
445	T	27.2	Very low	26.4	Very low	124 Å²	124	126.8 Å²	126.8	76%	0.761	73%	0.731	S	S	*	*			cis	-135.1	-167.4	1.3	58.5	0	0	0	0	109.5
446	I	26.4	Very low	26.2	Very low	139 Å²	139	128.7 Å²	128.7	71%	0.713	74%	0.741	S	S	*	*			cis	-157.9	134.4	-8.6	-126.2	154.7	0	0	0	105.2
447	S	25.1	Very low	26	Very low	88 Å²	88	128.2 Å²	128.2	62%	0.615	75%	0.748	S	S	*	*				77.4	113.8	75.8	-45.3	0	0	0	0	119.2
448	N	25.1	Very low	25.9	Very low	153 Å²	153	128.5 Å²	128.5	82%	0.818	76%	0.755	S	S	*	*				72.9	160.1	126.7	-67.6	3	0	0	0	122.5
449	P	37.4	Very low	25.7	Very low	111 Å²	111	129.9 Å²	129.9	72%	0.721	76%	0.764	S	S	*	*			cis	-124.9	-147.5	-15.1	25.6	0.7	0	0	0	111
450	T	26.8	Very low	25.5	Very low	111 Å²	111	127.8 Å²	127.8	68%	0.681	76%	0.759	S	S	*	*			cis	-163	145.6	7.7	-17.5	0	0	0	0	113.2
451	N	25	Very low	25.6	Very low	132 Å²	132	129.9 Å²	129.9	71%	0.706	77%	0.768	S	S	*	*			trans	31.6	136.9	138.7	-70.7	8.5	0	0	0	126.3
452	I	23.9	Very low	25.5	Very low	142 Å²	142	130.2 Å²	130.2	73%	0.728	76%	0.764	S	S	*	*			trans	75.6	136.5	132.8	-70.7	171.3	0	0	0	118.4
453	I	22.7	Very low	25.6	Very low	137 Å²	137	131 Å²	131	70%	0.703	76%	0.764	S	S	*	*			cis	-162.5	160	-14.2	-116.4	171.3	0	0	0	109.5
454	L	21.8	Very low	25.7	Very low	147 Å²	147	133.2 Å²	133.2	77%	0.77	76%	0.763	S	S	*	*			trans	25.6	120.4	162.1	-69.8	165.1	0	0	0	121.5
455	T	23.3	Very low	25.7	Very low	133 Å²	133	131.8 Å²	131.8	82%	0.816	76%	0.758	S	S	*	*				165.8	150.8	107.9	36.3	0	0	0	0	112.3
456	N	23.1	Very low	25.8	Very low	167 Å²	167	132.9 Å²	132.9	89%	0.893	76%	0.759	S	S	*	*			trans	-90.4	152.7	171	-79.1	-11.1	0	0	0	111.6
457	S	25.5	Very low	25.8	Very low	121 Å²	121	133.4 Å²	133.4	85%	0.846	76%	0.764	S	S	*	*			trans	-154.8	145.7	166.4	-71	0	0	0	0	110.6
458	T	25.8	Very low	26	Very low	146 Å²	146	134.2 Å²	134.2	90%	0.896	77%	0.769	S	S	*	*			trans	-92.8	164.9	-173.2	38.4	0	0	0	0	113.7
459	C	25.1	Very low	26	Very low	117 Å²	117	131.5 Å²	131.5	79%	0.791	76%	0.762	S	S	*	*			trans	-72.6	170.7	-171.5	-51	0	0	0	0	113.4
460	T	24	Very low	25.5	Very low	122 Å²	122	133.1 Å²	133.1	75%	0.748	77%	0.77	S	S	*	*				-178.2	152.4	69.9	44.1	0	0	0	0	113.1
461	T	26.1	Very low	25.2	Very low	140 Å²	140	135 Å²	135	86%	0.859	78%	0.776	S	S	*	*			trans	-167	111.6	137.1	44.1	0	0	0	0	114
462	N	25.4	Very low	25.3	Very low	138 Å²	138	136.5 Å²	136.5	74%	0.738	78%	0.783	S	S	*	*			trans	-0.8	162.6	142.9	-60.2	9.4	0	0	0	121.6
463	N	25.4	Very low	25.3	Very low	128 Å²	128	136.9 Å²	136.9	68%	0.684	78%	0.782	S	S	*	*			cis	-127.4	-145.9	12.5	-64.8	-87.8	0	0	0	110.3
464	F	27.9	Very low	25.3	Very low	179 Å²	179	137.4 Å²	137.4	79%	0.785	78%	0.784	S	S	*	*			cis	-167.1	141.1	4.5	-132.3	-42.3	0	0	0	112
465	S	26.7	Very low	25.4	Very low	93 Å²	93	136.8 Å²	136.8	65%	0.65	78%	0.782	S	S	*	*			trans	55.5	136.2	157.1	55.6	0	0	0	0	120.1
466	N	28.6	Very low	25.5	Very low	147 Å²	147	137.3 Å²	137.3	79%	0.786	78%	0.78	S	S	*	*			cis	-151.9	156.5	13	-99.2	-20.3	0	0	0	112.7
467	N	27.6	Very low	25.6	Very low	150 Å²	150	137.9 Å²	137.9	80%	0.802	78%	0.777	S	S	*	*			trans	-17.5	159	165.6	-47.4	-11.7	0	0	0	119.3
468	S	27.9	Very low	25.8	Very low	105 Å²	105	137.6 Å²	137.6	73%	0.734	77%	0.766	S	S	*	*			cis	-154.9	138.1	19.6	46.9	0	0	0	0	110.2
469	S	25.2	Very low	25.9	Very low	95 Å²	95	137.1 Å²	137.1	66%	0.664	76%	0.758	S	S	*	*			cis	103.9	102.9	29.4	73.4	0	0	0	0	114.6
470	T	27.4	Very low	25.7	Very low	146 Å²	146	139 Å²	139	90%	0.896	76%	0.76	S	S	*	*			trans	-156.1	99.4	144.6	44.8	0	0	0	0	109.4
471	D	21.7	Very low	25.7	Very low	150 Å²	150	137.5 Å²	137.5	80%	0.802	76%	0.755	S	S	*	*			trans	-98.2	159.4	169	-61.8	-72.8	0	0	0	110.8
472	L	25.7	Very low	25.6	Very low	164 Å²	164	137.7 Å²	137.7	86%	0.859	75%	0.751	S	S	*	*			trans	-148.9	97.4	144.2	-97.5	-173.3	0	0	0	111.5
473	H	23.7	Very low	25.5	Very low	149 Å²	149	138.5 Å²	138.5	69%	0.69	75%	0.754	S	S	*	*			trans	35.3	114.6	154	-76.7	-82.5	0	0	0	121.2	N475	H473-N475 PolarHBondContact ND1-OD1 3.37Å
474	I	22.7	Very low	25.5	Very low	149 Å²	149	140.1 Å²	140.1	76%	0.764	76%	0.761	S	S	*	*				-106.1	145.7	127.8	-67.4	173.4	0	0	0	106.8
475	N	25.4	Very low	25.2	Very low	134 Å²	134	138.5 Å²	138.5	72%	0.717	76%	0.76	S	S	*	*			trans	-111.5	112.8	166.7	-75.3	5.1	0	0	0	108.3	H473	H473-N475 PolarHBondContact ND1-OD1 3.37Å
476	D	23.6	Very low	25.1	Very low	144 Å²	144	137.6 Å²	137.6	77%	0.77	77%	0.766	S	S	*	*			trans	-90.3	142.9	167.1	-73.2	-49.2	0	0	0	110.7
477	E	27.2	Very low	24.7	Very low	178 Å²	178	138.9 Å²	138.9	83%	0.832	77%	0.772	S	S	*	*			trans	-138.2	104.2	141.2	-82.4	-145.9	141	0	0	111.4
478	N	28.2	Very low	24.5	Very low	115 Å²	115	138.9 Å²	138.9	62%	0.615	77%	0.77	S	S	*	*			trans	72.5	104.4	135.2	-61.1	-51	0	0	0	121.5
479	N	27.7	Very low	24.4	Very low	137 Å²	137	140 Å²	140	73%	0.733	78%	0.778	S	S	*	*				83.4	99.4	124.4	-58.4	-26.1	0	0	0	121.4
480	N	22.4	Very low	24.3	Very low	156 Å²	156	144.6 Å²	144.6	83%	0.834	79%	0.789	S	S	*	*				9.7	140.2	106.9	-73.7	-22.1	0	0	0	117.4
481	S	23.6	Very low	24.2	Very low	91 Å²	91	142.9 Å²	142.9	64%	0.636	78%	0.783	S	S	*	*			cis	-162.7	-176.9	8.5	61	0	0	0	0	112.8
482	N	24.5	Very low	24.3	Very low	144 Å²	144	142.6 Å²	142.6	77%	0.77	78%	0.78	S	S	*	*			trans	85.1	122.4	171.2	-44.6	-15.3	0	0	0	113.3
483	L	22.5	Very low	24.4	Very low	155 Å²	155	142.2 Å²	142.2	81%	0.812	78%	0.778	S	S	*	*			cis	77.1	77.6	30.5	-152.3	167.2	0	0	0	113.2
484	I	25	Very low	24.3	Very low	162 Å²	162	142.6 Å²	142.6	83%	0.831	79%	0.786	S	S	*	*			trans	-138.9	140.4	157	-66.7	-173.9	0	0	0	107.3
485	N	23	Very low	24.5	Very low	144 Å²	144	141.3 Å²	141.3	77%	0.77	79%	0.79	S	S	*	*			trans	-78.3	157.7	-178	-68.6	-29.3	0	0	0	112.9
486	G	23	Very low	24.4	Very low	74 Å²	74	140 Å²	140	76%	0.763	79%	0.791	S	S	*	*			trans	-151.8	94.2	178.2	0	0	0	0	0	115
487	L	21.5	Very low	24.3	Very low	174 Å²	174	138 Å²	138	91%	0.911	79%	0.789	S	S	*	*			trans	-105.2	148.6	141.6	-63.5	171.3	0	0	0	105.1
488	I	22.9	Very low	24.4	Very low	151 Å²	151	139.4 Å²	139.4	77%	0.774	79%	0.792	S	S	*	*			cis	-140	154.4	30.6	-66.9	162.7	0	0	0	109.5
489	S	24.7	Very low	24.1	Very low	128 Å²	128	140 Å²	140	90%	0.895	80%	0.8	S	S	*	*			trans	-151.1	115.7	148.8	-83.3	0	0	0	0	111.2
490	Q	25.1	Very low	24	Very low	192 Å²	192	140.6 Å²	140.6	90%	0.897	80%	0.802	S	S	*	*			trans	-134.6	107.2	165.5	-142.3	-155.5	68.8	0	0	110.1
491	S	24.6	Very low	24.1	Very low	109 Å²	109	140.3 Å²	140.3	76%	0.762	80%	0.8	S	S	*	*			trans	-170.2	146.8	162.7	99.4	0	0	0	0	107.2
492	L	23.1	Very low	24.7	Very low	144 Å²	144	141.4 Å²	141.4	75%	0.754	81%	0.805	S	S	*	*			cis	-166.2	138.7	-8	-133.6	173.2	0	0	0	107.3
493	L	27.7	Very low	24.6	Very low	156 Å²	156	140.5 Å²	140.5	82%	0.817	81%	0.805	S	S	*	*			trans	150.8	120.1	135.4	-83.4	161.1	0	0	0	113.6
494	N	22.1	Very low	24.9	Very low	157 Å²	157	141.9 Å²	141.9	84%	0.84	81%	0.807	S	S	*	*			trans	-77.4	142.7	150.8	-77.8	-44.5	0	0	0	109.7
495	S	26.9	Very low	24.8	Very low	123 Å²	123	141.2 Å²	141.2	86%	0.86	81%	0.805	S	S	*	*				-169.7	145.3	125.6	32.2	0	0	0	0	110.7
496	S	22.3	Very low	25.1	Very low	106 Å²	106	142.1 Å²	142.1	74%	0.741	81%	0.808	S	S	*	*			trans	-108.9	171	-172.3	62.4	0	0	0	0	112.5
497	S	23.2	Very low	25.1	Very low	102 Å²	102	145.8 Å²	145.8	71%	0.713	81%	0.81	S	S	*	*			trans	79.7	105.9	160	-44.3	0	0	0	0	117.7
498	K	28.1	Very low	25.4	Very low	207 Å²	207	145.3 Å²	145.3	90%	0.9	81%	0.807	S	S	*	*				-165.7	161.9	85.7	-96.7	171.4	-175.5	179.1	0	112.5
499	T	21.5	Very low	25.5	Very low	129 Å²	129	141.5 Å²	141.5	79%	0.791	80%	0.798	S	S	*	*			trans	-94.9	-177.9	-177.2	43.1	0	0	0	0	112.9
500	I	26.9	Very low	25.7	Very low	149 Å²	149	141.9 Å²	141.9	76%	0.764	79%	0.79	S	S	*	*			trans	109	82.6	169.6	-56.1	165.3	0	0	0	114.1
501	D	24.9	Very low	25.7	Very low	150 Å²	150	138.9 Å²	138.9	80%	0.802	79%	0.79	S	S	*	*				63.5	151	112.8	-67.1	16.6	0	0	0	122.6
502	P	34.7	Very low	25.6	Very low	113 Å²	113	142.2 Å²	142.2	73%	0.734	79%	0.786	S	S	*	*			trans	-137.2	-161.4	-136.7	32.8	-8	0	0	0	115.9
503	V	23.4	Very low	25.7	Very low	126 Å²	126	143.1 Å²	143.1	76%	0.764	79%	0.79	S	S	*	*			trans	80.1	112.2	160.1	-156.6	0	0	0	0	117.5
504	E	28.1	Very low	25.4	Very low	184 Å²	184	141.1 Å²	141.1	86%	0.86	78%	0.776	S	S	*	*				-168.8	153.6	103.7	-99.9	-165.5	153.8	0	0	113
505	N	22.9	Very low	25.5	Very low	147 Å²	147	141 Å²	141	79%	0.786	77%	0.774	S	S	*	*			trans	-89.7	164.9	178	-71.6	-36.1	0	0	0	111.6
506	I	28.9	Very low	25.2	Very low	164 Å²	164	142 Å²	142	84%	0.841	77%	0.77	S	S	*	*			trans	-159.6	125.7	131.6	-101.7	149.2	0	0	0	109.5
507	D	22.9	Very low	25.3	Very low	150 Å²	150	142 Å²	142	80%	0.802	77%	0.77	S	S	*	*			trans	-83.3	143.8	170.3	-80.2	-63.1	0	0	0	111.6
508	I	28.4	Very low	25.5	Very low	165 Å²	165	142.8 Å²	142.8	85%	0.846	78%	0.775	S	S	*	*			trans	-133.7	107.7	147.4	-61.1	-175.6	0	0	0	108.6
509	A	25.8	Very low	25.3	Very low	70 Å²	70	141.6 Å²	141.6	58%	0.579	77%	0.773	S	S	*	*			trans	-80.2	151.1	173.8	0	0	0	0	0	112
510	N	27.6	Very low	25.6	Very low	137 Å²	137	141.4 Å²	141.4	73%	0.733	78%	0.776	S	S	*	*				171.5	115.5	110.1	-94.4	-74.3	0	0	0	112.9
511	S	24.7	Very low	25.4	Very low	128 Å²	128	140.2 Å²	140.2	90%	0.895	78%	0.776	S	S	*	*			trans	-135.6	131.6	133.5	62.8	0	0	0	0	107
512	R	24.6	Very low	25.4	Very low	179 Å²	179	139.1 Å²	139.1	68%	0.675	78%	0.775	S	S	*	*			trans	-132.9	127.2	-156.3	-176.5	-175.7	-174.3	-174.6	5.6	111.2	E514	R512-E514 IonicContact CZ-OE2 3.8Å; R512-E514 IonicContact NE-OE2 3.7Å; R512-E514 PolarHBondContact NE-OE2 2.86Å; R512-E514 IonicContact NH2-OE2 2.75Å; R512-E514 PolarHBondContact NH2-OE2 2.87Å
513	I	23.5	Very low	24.9	Very low	164 Å²	164	139.1 Å²	139.1	84%	0.841	77%	0.773	S	S	*	*			trans	-130.6	104	157.3	-59.4	-177.6	0	0	0	107.6
514	E	21.3	Very low	25.1	Very low	113 Å²	113	137.6 Å²	137.6	53%	0.528	77%	0.768	S	S	.	*			trans	-114.3	145.9	158.8	-74.9	175.1	87	0	0	107.5	R512	R512-E514 IonicContact CZ-OE2 3.8Å; R512-E514 IonicContact NE-OE2 3.7Å; R512-E514 PolarHBondContact NE-OE2 2.86Å; R512-E514 IonicContact NH2-OE2 2.75Å; R512-E514 PolarHBondContact NH2-OE2 2.87Å
515	I	24.1	Very low	24.9	Very low	156 Å²	156	136.5 Å²	136.5	80%	0.8	77%	0.768	S	S	*	*			trans	-127.7	122.7	159	-62.5	-179.1	0	0	0	106.6
516	N	21.4	Very low	24.9	Very low	144 Å²	144	139 Å²	139	77%	0.77	77%	0.772	S	S	*	*			trans	-137.4	106.5	-176.8	-122.1	-34.1	0	0	0	109.9
517	S	24.9	Very low	25.2	Very low	106 Å²	106	135.8 Å²	135.8	74%	0.741	76%	0.762	S	S	*	*			trans	-162	140.2	167.1	56.3	0	0	0	0	108.5
518	S	27.2	Very low	25.2	Very low	117 Å²	117	134.5 Å²	134.5	82%	0.818	76%	0.76	S	S	*	*			cis	-148.4	157.4	4.2	46.1	0	0	0	0	111.8
519	Q	24.5	Very low	24.8	Very low	183 Å²	183	132.4 Å²	132.4	86%	0.855	76%	0.755	S	S	*	*			trans	-75.8	156.2	170.7	-69	179.4	-18.6	0	0	112.1
520	S	26.2	Very low	24.8	Very low	124 Å²	124	135.1 Å²	135.1	87%	0.867	76%	0.764	S	S	*	*			trans	-148.9	133.2	144.3	-77.5	0	0	0	0	110.8
521	T	22.8	Very low	24.8	Very low	124 Å²	124	136.3 Å²	136.3	76%	0.761	77%	0.769	S	S	*	*			trans	-75.7	170.9	164.7	51	0	0	0	0	109
522	V	24.7	Very low	25	Very low	127 Å²	127	135.5 Å²	135.5	77%	0.77	76%	0.761	S	S	*	*			cis	-148.5	154.7	17.7	-139.4	0	0	0	0	105.4
523	T	25.5	Very low	24.9	Very low	114 Å²	114	131.2 Å²	131.2	70%	0.699	76%	0.758	S	S	*	*				-173	148.6	59.1	48.4	0	0	0	0	112
524	S	26.2	Very low	25	Very low	94 Å²	94	130.8 Å²	130.8	66%	0.657	76%	0.756	S	S	*	*			trans	35.8	136.8	145.6	61	0	0	0	0	122.2
525	N	25.5	Very low	25.1	Very low	160 Å²	160	130.6 Å²	130.6	86%	0.856	76%	0.763	S	S	*	*			cis	-161.1	162.3	7.3	-103.2	-4.4	0	0	0	112.3
526	F	22.2	Very low	25.1	Very low	201 Å²	201	128.8 Å²	128.8	88%	0.882	76%	0.76	S	S	*	*			trans	-91	-174.6	166.6	-82	-90.1	0	0	0	110.8
527	P	35.9	Very low	25.1	Very low	96 Å²	96	128.1 Å²	128.1	62%	0.623	76%	0.76	S	S	*	*				-138.7	-161.1	-74.7	42.2	-22.2	0	0	0	113.5
528	T	21.2	Very low	25	Very low	123 Å²	123	127.2 Å²	127.2	76%	0.755	75%	0.754	S	S	*	*			trans	70.8	138.6	150.5	47.8	0	0	0	0	123
529	T	21.5	Very low	24.8	Very low	121 Å²	121	126.9 Å²	126.9	74%	0.742	75%	0.747	S	S	*	*			trans	86.5	144.4	148.8	-49.3	0	0	0	0	120.4
530	T	24.5	Very low	24.7	Very low	127 Å²	127	124.8 Å²	124.8	78%	0.779	74%	0.742	S	S	*	*			trans	76	112.6	163.8	19	0	0	0	0	120.4
531	I	28	Very low	24.6	Very low	161 Å²	161	125.2 Å²	125.2	83%	0.826	73%	0.733	S	S	*	*			trans	-81.2	133.9	153.6	-51.9	161.2	0	0	0	107.6
532	P	28.6	Very low	24.7	Very low	112 Å²	112	126.2 Å²	126.2	73%	0.727	73%	0.733	S	S	*	*				-147.5	165.3	115.2	35.2	-18.6	0	0	0	113.5
533	S	24.2	Very low	24.7	Very low	88 Å²	88	127 Å²	127	62%	0.615	73%	0.732	S	S	*	*			cis	178	150.8	-22.8	58.6	0	0	0	0	109.3
534	L	23.8	Very low	24.5	Very low	155 Å²	155	125.8 Å²	125.8	81%	0.812	73%	0.729	S	S	*	*			trans	64.8	163.7	156.6	-92	53.5	0	0	0	116.3
535	T	25	Very low	24.5	Very low	110 Å²	110	128.4 Å²	128.4	68%	0.675	74%	0.735	S	S	*	*			cis	-150.8	143	7.8	-4.5	0	0	0	0	111.8
536	T	23.1	Very low	24.4	Very low	118 Å²	118	128.6 Å²	128.6	72%	0.724	73%	0.731	S	S	*	*			trans	5.5	153.2	132.5	65.1	0	0	0	0	120.1
537	V	22	Very low	24.4	Very low	129 Å²	129	124.4 Å²	124.4	78%	0.782	72%	0.722	S	S	*	*			cis	-171.7	173.2	5.4	119.3	0	0	0	0	110.7
538	S	22.9	Very low	23.8	Very low	88 Å²	88	125.7 Å²	125.7	62%	0.615	73%	0.728	S	S	*	*			trans	110.3	93.8	145.4	-117	0	0	0	0	121.9
539	T	22.1	Very low	23.9	Very low	110 Å²	110	128.7 Å²	128.7	68%	0.675	73%	0.733	S	S	*	*				60.9	145.6	117.3	58.4	0	0	0	0	123.5
540	N	23.9	Very low	24	Very low	139 Å²	139	129.8 Å²	129.8	74%	0.743	73%	0.734	S	S	*	*			trans	85.8	139	151.9	-65.3	-13.2	0	0	0	118.2
541	I	22.7	Very low	23.9	Very low	133 Å²	133	132.2 Å²	132.2	68%	0.682	74%	0.737	S	S	*	*			cis	-167.4	148.8	-15.7	-130.3	165.6	0	0	0	109.4
542	I	24.5	Very low	23.7	Very low	145 Å²	145	129.4 Å²	129.4	74%	0.744	73%	0.731	S	S	*	*			trans	66.3	145.9	165.6	-71	171.7	0	0	0	115
543	D	25.8	Very low	23.5	Very low	142 Å²	142	132.3 Å²	132.3	76%	0.759	74%	0.735	S	S	*	*			cis	-137.3	165.9	17.5	-141.9	-29.4	0	0	0	115.2
544	S	21.7	Very low	23.5	Very low	90 Å²	90	137.3 Å²	137.3	63%	0.629	75%	0.746	S	S	*	*			trans	-49.7	142	-178.4	-42.7	0	0	0	0	118.8
545	N	26.2	Very low	23.7	Very low	149 Å²	149	136.1 Å²	136.1	80%	0.797	74%	0.739	S	S	*	*				-174.5	121.1	116.8	-98.2	-37.3	0	0	0	115.7
546	H	22.9	Very low	23.7	Very low	164 Å²	164	136.1 Å²	136.1	76%	0.759	74%	0.739	S	S	*	*			trans	45.5	136.3	147.2	-83.6	-81.5	0	0	0	125.7
547	T	22.2	Very low	23.9	Very low	113 Å²	113	134.1 Å²	134.1	69%	0.693	72%	0.723	S	S	*	*			trans	80.9	106.1	143	42.5	0	0	0	0	122.7
548	T	22.5	Very low	24	Very low	122 Å²	122	135.2 Å²	135.2	75%	0.748	72%	0.717	S	S	*	*			trans	56.1	97.2	134.6	58.5	0	0	0	0	119.4
549	E	24	Very low	24.2	Very low	187 Å²	187	137.6 Å²	137.6	87%	0.874	72%	0.723	S	S	*	*			trans	-88.6	116.8	155.8	-65.8	-171	141	0	0	110.1
550	N	22.6	Very low	24.4	Very low	143 Å²	143	137.8 Å²	137.8	77%	0.765	72%	0.72	S	S	*	*			trans	-82.3	126.5	165.9	-81.3	-29.4	0	0	0	108.9	S552	N550-S552 VanDerWaalsContact C-N 3.26Å; N550-S552 PolarHBondContact O-N 3.32Å
551	H	23.8	Very low	24.5	Very low	178 Å²	178	138.9 Å²	138.9	82%	0.824	73%	0.726	S	S	*	*			trans	-71.2	80	168.4	-79.3	-66.1	0	0	0	111.2	H553	H551-H553 PolarHBondContact O-N 3.24Å
552	S	23.1	Very low	24.6	Very low	102 Å²	102	134.9 Å²	134.9	71%	0.713	72%	0.718	S	S	*	*			trans	-87.3	93	171.1	45.1	0	0	0	0	110.5	N550 K554	N550-S552 VanDerWaalsContact C-N 3.26Å; N550-S552 PolarHBondContact O-N 3.32Å; S552-K554 PolarHBondContact O-N 2.93Å
553	H	25.6	Very low	24.7	Very low	174 Å²	174	135.1 Å²	135.1	81%	0.806	72%	0.72	S	S	*	*			trans	-59.1	105.3	170.1	-84.6	-101.9	0	0	0	109.9	H551 L555	H551-H553 PolarHBondContact O-N 3.24Å; H553-L555 PolarHBondContact O-N 3.06Å
554	K	24.1	Very low	25	Very low	193 Å²	193	136 Å²	136	84%	0.839	73%	0.725	S	S	*	*			trans	-77.8	71.5	-176.5	-169.7	-177.8	178.5	179.4	0	110.8	S552 V556	S552-K554 PolarHBondContact O-N 2.93Å; K554-V556 PolarHBondContact O-N 3.01Å; K554-V556 VanDerWaalsContact O-N 3.17Å
555	L	26.3	Very low	25.4	Very low	129 Å²	129	139.1 Å²	139.1	68%	0.675	74%	0.735	S	S	*	*			trans	-69.9	109.1	179.2	-149.5	143.6	0	0	0	109.3	H553 I557	H553-L555 PolarHBondContact O-N 3.06Å; L555-I557 PolarHBondContact O-N 3.15Å
556	V	25.2	Very low	25.8	Very low	111 Å²	111	135.8 Å²	135.8	67%	0.673	72%	0.717	S	S	*	*			trans	-78.2	104.2	-177	177.9	0	0	0	0	109	K554 K558	K554-V556 PolarHBondContact O-N 3.01Å; K554-V556 VanDerWaalsContact O-N 3.17Å; V556-K558 PolarHBondContact O-N 2.87Å; V556-K558 VanDerWaalsContact O-N 3.1Å
557	I	27.6	Very low	26.5	Very low	75 Å²	75	133.6 Å²	133.6	39%	0.385	71%	0.711	S	S	.	*			trans	-72	101.5	169	-55.3	175.7	0	0	0	107.7	T360 L555	T360-I557 HydrophobicContact CG2-CD1 4.36Å; L555-I557 PolarHBondContact O-N 3.15Å
558	K	24.9	Very low	27	Very low	152 Å²	152	135.4 Å²	135.4	66%	0.661	72%	0.716	S	S	*	*			trans	-76.9	140	156.4	-74.3	-172.2	-178	176.9	0	108.8	V556 D560	V556-K558 PolarHBondContact O-N 2.87Å; V556-K558 VanDerWaalsContact O-N 3.1Å; K558-D560 WeakPolarHBondContact CB-OD1 3.49Å; K558-D560 VanDerWaalsContact CB-OD2 3.27Å; K558-D560 WeakPolarHBondContact CB-OD2 3.49Å; K558-D560 VanDerWaalsContact CD-OD1 3.27Å; K558-D560 WeakPolarHBondContact CD-OD1 3.1Å; K558-D560 PolarHBondContact O-N 3.26Å
559	N	25.8	Very low	27.8	Very low	139 Å²	139	134.2 Å²	134.2	74%	0.743	71%	0.705	S	S	*	*			trans	-90.2	79.9	166	-72.9	-13.1	0	0	0	108	N561	N559-N561 PolarHBondContact O-N 2.82Å
560	D	26.8	Very low	28.7	Very low	114 Å²	114	128.2 Å²	128.2	61%	0.61	68%	0.677	S	S	*	*			trans	-75.7	71	-179.8	-60.7	-49.7	0	0	0	110.7	K558 G562	K558-D560 WeakPolarHBondContact CB-OD1 3.49Å; K558-D560 VanDerWaalsContact CB-OD2 3.27Å; K558-D560 WeakPolarHBondContact CB-OD2 3.49Å; K558-D560 VanDerWaalsContact CD-OD1 3.27Å; K558-D560 WeakPolarHBondContact CD-OD1 3.1Å; K558-D560 PolarHBondContact O-N 3.26Å; D560-G562 VanDerWaalsContact C-N 3.34Å; D560-G562 PolarHBondContact O-N 3.49Å
561	N	25.4	Very low	29.4	Very low	161 Å²	161	126.1 Å²	126.1	86%	0.861	67%	0.666	S	S	*	*			trans	-89.3	68.2	167.6	-76.6	-23.8	0	0	0	109.2	N559	N559-N561 PolarHBondContact O-N 2.82Å
562	G	26	Very low	30.3	Very low	50 Å²	50	123.3 Å²	123.3	52%	0.515	66%	0.657	S	S	.	*	S	Bend	trans	164.7	141.7	175.5	0	0	0	0	0	114.1	D560	D560-G562 VanDerWaalsContact C-N 3.34Å; D560-G562 PolarHBondContact O-N 3.49Å
563	D	27.2	Very low	31.1	Very low	149 Å²	149	122.4 Å²	122.4	80%	0.797	64%	0.644	S	S	*	*			trans	65.3	104.9	160.9	-49.7	-27.1	0	0	0	118.5	D565	D563-D565 PolarHBondContact O-N 2.96Å
564	D	30.6	Very low	32	Very low	162 Å²	162	115.1 Å²	115.1	87%	0.866	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	28.9	-178.2	-70.5	-69.3	0	0	0	115.6
565	D	31.2	Very low	33.2	Very low	155 Å²	155	109.3 Å²	109.3	83%	0.829	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	-4.7	-176.6	-97	-26.5	0	0	0	114.3	D563 N567	D563-D565 PolarHBondContact O-N 2.96Å; D565-N567 PolarHBondContact O-N 3.35Å
566	D	34.6	Very low	34.3	Very low	79 Å²	79	109 Å²	109	42%	0.422	58%	0.584	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.7	32.9	-165.4	-146.1	9.5	0	0	0	115.2	N568 N569 Q570	D566-N568 VanDerWaalsContact C-N 3.33Å; D566-N568 PolarHBondContact O-N 3.02Å; D566-N569 WeakPolarHBondContact OD1-CB 3.37Å; D566-N569 PolarHBondContact OD1-ND2 3.5Å; D566-Q570 PolarHBondContact O-NE2 2.9Å
567	N	36.2	Very low	35.4	Very low	118 Å²	118	104.8 Å²	104.8	63%	0.631	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	-30.4	-177.1	-84.8	-50.8	0	0	0	113.6	D565	D565-N567 PolarHBondContact O-N 3.35Å
568	N	33.3	Very low	36.7	Very low	151 Å²	151	102.4 Å²	102.4	81%	0.807	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-26.4	-175.9	-74.5	-13.5	0	0	0	114.3	D566	D566-N568 VanDerWaalsContact C-N 3.33Å; D566-N568 PolarHBondContact O-N 3.02Å
569	N	39	Very low	38.3	Very low	96 Å²	96	100.9 Å²	100.9	51%	0.513	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-16.2	174.1	-67.1	-51.7	0	0	0	112.2	D566 D571	D566-N569 WeakPolarHBondContact OD1-CB 3.37Å; D566-N569 PolarHBondContact OD1-ND2 3.5Å; N569-D571 VanDerWaalsContact C-N 3.3Å; N569-D571 PolarHBondContact O-N 3.01Å
570	Q	42.7	Very low	39.7	Very low	61 Å²	61	96.9 Å²	96.9	29%	0.285	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-24.7	-172.2	-140.9	73.6	-119.9	0	0	113.6	R334 D566 D574	R334-Q570 VanDerWaalsContact NH2-C 3.33Å; R334-Q570 PolarHBondContact NH2-O 3.47Å; D566-Q570 PolarHBondContact O-NE2 2.9Å; Q570-D574 PolarHBondContact O-N 3.27Å
571	D	39.2	Very low	41.1	Very low	99 Å²	99	92.1 Å²	92.1	53%	0.529	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-34.8	-172.7	-73.2	-10.1	0	0	0	113.2	R334 N569 L573 D574 L575	R334-D571 IonicContact CZ-OD1 3.31Å; R334-D571 IonicContact NH2-OD1 3.63Å; R334-D571 PolarHBondContact NH2-OD1 3.36Å; N569-D571 VanDerWaalsContact C-N 3.3Å; N569-D571 PolarHBondContact O-N 3.01Å; D571-L573 PolarHBondContact O-N 3.07Å; D571-D574 PolarHBondContact O-N 3.17Å; D571-D574 VanDerWaalsContact O-N 3.1Å; D571-L575 PolarHBondContact O-N 3.41Å
572	D	41.3	Very low	42.6	Very low	119 Å²	119	86 Å²	86	64%	0.636	46%	0.458	S	S	*	.	H	α-helix	trans	-59.4	-39.2	167.7	-86.3	-21.6	0	0	0	110.8	D574 L575 E576	D572-D574 VanDerWaalsContact C-N 3.32Å; D572-D574 PolarHBondContact O-N 2.88Å; D572-L575 PolarHBondContact O-N 2.97Å; D572-E576 PolarHBondContact O-N 2.86Å; D572-E576 VanDerWaalsContact O-N 3.09Å
573	L	41.1	Very low	44.4	Very low	84 Å²	84	87.6 Å²	87.6	44%	0.44	46%	0.455	S	S	.	.	H	α-helix	trans	-64.6	-31.4	174.6	-113.2	142	0	0	0	113.1	D571 L577	D571-L573 PolarHBondContact O-N 3.07Å; L573-L577 WeakPolarHBondContact O-CB 3.48Å; L573-L577 PolarHBondContact O-N 3.02Å
574	D	43.9	Very low	46	Very low	21 Å²	21	80.7 Å²	80.7	11%	0.112	42%	0.418	C	S	.	.	H	α-helix	trans	-78.9	-29.9	174.9	-99.7	40.6	0	0	0	112.2	R331 R334 Q570 D571 D572 L577 D578	R331-D574 IonicContact CZ-OD2 2.74Å; R331-D574 IonicContact NH1-OD2 3.92Å; R331-D574 PolarHBondContact NH1-OD2 3.41Å; R334-D574 IonicContact CZ-OD1 2.76Å; R334-D574 IonicContact CZ-OD2 3.12Å; R334-D574 IonicContact NE-OD2 2.66Å; R334-D574 IonicContact NH1-OD1 3.88Å; R334-D574 PolarHBondContact NH1-OD1 3.45Å; R334-D574 IonicContact NH1-OD2 2.76Å; R334-D574 PolarHBondContact NH1-OD2 3.44Å; R334-D574 VanDerWaalsContact NH1-OD2 3.1Å; R334-D574 IonicContact NH2-OD1 3.7Å; Q570-D574 PolarHBondContact O-N 3.27Å; D571-D574 PolarHBondContact O-N 3.17Å; D571-D574 VanDerWaalsContact O-N 3.1Å; D572-D574 VanDerWaalsContact C-N 3.32Å; D572-D574 PolarHBondContact O-N 2.88Å; D574-L577 WeakPolarHBondContact O-CB 3.34Å; D574-L577 PolarHBondContact O-N 3.32Å; D574-D578 WeakPolarHBondContact O-CB 3.32Å; D574-D578 PolarHBondContact O-N 2.94Å
575	L	49	Very low	47.4	Very low	71 Å²	71	74.4 Å²	74.4	37%	0.372	38%	0.384	S	S	.	.	H	α-helix	trans	-70.4	-29.2	172.4	-73.9	169.7	0	0	0	113.2	D571 D572 K579 P642	D571-L575 PolarHBondContact O-N 3.41Å; D572-L575 PolarHBondContact O-N 2.97Å; L575-K579 WeakPolarHBondContact O-CD 3.33Å; L575-K579 VanDerWaalsContact O-CG 3.27Å; L575-K579 WeakPolarHBondContact O-CG 3.3Å; L575-P642 HydrophobicContact CD1-CB 3.92Å; L575-P642 HydrophobicContact CD2-CB 3.82Å; L575-P642 HydrophobicContact CD2-CG 4.25Å
576	E	48.9	Very low	48.6	Very low	123 Å²	123	70.4 Å²	70.4	58%	0.575	36%	0.362	S	S	*	.	H	α-helix	trans	-77.9	-32.5	169	-161.5	170.4	-118.5	0	0	111.4	D572 D580	D572-E576 PolarHBondContact O-N 2.86Å; D572-E576 VanDerWaalsContact O-N 3.09Å; E576-D580 PolarHBondContact O-N 2.9Å; E576-D580 VanDerWaalsContact O-N 3.12Å
577	L	49.9	Very low	50.1	Low	21 Å²	21	73 Å²	73	11%	0.11	37%	0.371	C	S	.	.	H	α-helix	trans	-64.7	-50.9	176.1	-155.3	78.6	0	0	0	113.1	R327 R331 L573 D574 K579 D580 L581	R327-L577 HydrophobicContact CB-CD1 3.5Å; R327-L577 HydrophobicContact CB-CG 4.47Å; R327-L577 HydrophobicContact CG-CD1 3.43Å; R327-L577 VanDerWaalsContact CG-CD1 3.43Å; R331-L577 HydrophobicContact CB-CD2 3.98Å; L573-L577 WeakPolarHBondContact O-CB 3.48Å; L573-L577 PolarHBondContact O-N 3.02Å; D574-L577 WeakPolarHBondContact O-CB 3.34Å; D574-L577 PolarHBondContact O-N 3.32Å; L577-K579 VanDerWaalsContact C-N 3.3Å; L577-K579 PolarHBondContact O-N 3.4Å; L577-D580 PolarHBondContact O-N 3.2Å; L577-L581 PolarHBondContact O-N 3.06Å; L577-L581 VanDerWaalsContact O-N 3.1Å
578	D	54.7	Low	51.3	Low	26 Å²	26	69.2 Å²	69.2	14%	0.139	35%	0.352	C	S	.	.	H	α-helix	trans	-68.7	-32.6	-177.4	-90.8	-45	0	0	0	110.3	R297 R331 D574 L581 E582 F640	R297-D578 IonicContact CZ-OD1 2.86Å; R297-D578 IonicContact NH1-OD1 3.68Å; R297-D578 PolarHBondContact NH1-OD1 3.4Å; R297-D578 IonicContact NH2-OD1 3.77Å; R297-D578 PolarHBondContact NH2-OD1 3.23Å; R331-D578 IonicContact CZ-OD2 2.69Å; R331-D578 IonicContact NH1-OD2 2.71Å; R331-D578 PolarHBondContact NH1-OD2 2.8Å; R331-D578 IonicContact NH2-OD1 3.91Å; R331-D578 IonicContact NH2-OD2 3.02Å; R331-D578 PolarHBondContact NH2-OD2 3.16Å; D574-D578 WeakPolarHBondContact O-CB 3.32Å; D574-D578 PolarHBondContact O-N 2.94Å; D578-L581 PolarHBondContact O-N 3.27Å; D578-E582 VanDerWaalsContact O-CG 3.31Å; D578-E582 WeakPolarHBondContact O-CG 3.4Å; D578-E582 PolarHBondContact O-N 2.86Å; D578-F640 HydrophobicContact CB-CE1 4.22Å
579	K	58.7	Low	52.5	Low	120 Å²	120	64.8 Å²	64.8	52%	0.522	32%	0.324	S	S	.	.	H	α-helix	trans	-65.3	-43.9	171.4	-79.6	174.9	-174	166.7	0	114.6	L575 L577 L581 E582 N583	L575-K579 WeakPolarHBondContact O-CD 3.33Å; L575-K579 VanDerWaalsContact O-CG 3.27Å; L575-K579 WeakPolarHBondContact O-CG 3.3Å; L577-K579 VanDerWaalsContact C-N 3.3Å; L577-K579 PolarHBondContact O-N 3.4Å; K579-L581 PolarHBondContact O-N 3.43Å; K579-E582 WeakPolarHBondContact CA-OE2 3.18Å; K579-E582 WeakPolarHBondContact O-CB 3.39Å; K579-E582 PolarHBondContact O-N 2.93Å; K579-N583 WeakPolarHBondContact O-CB 3.48Å; K579-N583 PolarHBondContact O-N 3.29Å; K579-N583 PolarHBondContact O-ND2 3.47Å
580	D	54.5	Low	53.3	Low	55 Å²	55	65.1 Å²	65.1	29%	0.294	32%	0.322	S	S	.	.	H	α-helix	trans	-72.5	-24.1	178.3	-86.4	-6.3	0	0	0	112.3	R327 E576 L577 N583 E584	R327-D580 IonicContact CZ-OD2 2.65Å; R327-D580 VanDerWaalsContact NH1-CB 3.3Å; R327-D580 IonicContact NH1-OD2 3.15Å; R327-D580 PolarHBondContact NH1-OD2 2.91Å; R327-D580 IonicContact NH2-OD2 2.88Å; R327-D580 PolarHBondContact NH2-OD2 3.49Å; E576-D580 PolarHBondContact O-N 2.9Å; E576-D580 VanDerWaalsContact O-N 3.12Å; L577-D580 PolarHBondContact O-N 3.2Å; D580-N583 PolarHBondContact OD1-ND2 3.43Å; D580-N583 VanDerWaalsContact OD1-ND2 3.09Å; D580-E584 PolarHBondContact O-N 3.16Å
581	L	56.7	Low	54.1	Low	14 Å²	14	63.3 Å²	63.3	7%	0.073	32%	0.32	C	S	.	.	H	α-helix	trans	-78.3	-33.3	169.8	-159.6	65.5	0	0	0	112.2	L290 L293 L577 D578 K579 E584 L585	L290-L581 HydrophobicContact CD2-CD1 4.15Å; L293-L581 HydrophobicContact CD2-CD2 3.61Å; L293-L581 HydrophobicContact CD2-CG 4.49Å; L577-L581 PolarHBondContact O-N 3.06Å; L577-L581 VanDerWaalsContact O-N 3.1Å; D578-L581 PolarHBondContact O-N 3.27Å; K579-L581 PolarHBondContact O-N 3.43Å; L581-E584 PolarHBondContact O-N 2.88Å; L581-L585 WeakPolarHBondContact O-CB 3.45Å; L581-L585 WeakPolarHBondContact O-CD1 3.45Å; L581-L585 WeakPolarHBondContact O-CG 3.13Å; L581-L585 PolarHBondContact O-N 3.2Å
582	E	56.8	Low	55	Low	33 Å²	33	59.2 Å²	59.2	15%	0.154	30%	0.298	C	S	.	.	H	α-helix	trans	-59.5	-45.9	164.7	-76	172.9	134.2	0	0	110.8	D578 K579 E584 L585 L586 L635 F640	D578-E582 VanDerWaalsContact O-CG 3.31Å; D578-E582 WeakPolarHBondContact O-CG 3.4Å; D578-E582 PolarHBondContact O-N 2.86Å; K579-E582 WeakPolarHBondContact CA-OE2 3.18Å; K579-E582 WeakPolarHBondContact O-CB 3.39Å; K579-E582 PolarHBondContact O-N 2.93Å; E582-E584 VanDerWaalsContact C-N 3.32Å; E582-E584 PolarHBondContact O-N 2.98Å; E582-L585 WeakPolarHBondContact O-CB 3.31Å; E582-L585 PolarHBondContact O-N 3.1Å; E582-L586 WeakPolarHBondContact O-CB 3.47Å; E582-L586 PolarHBondContact O-N 3.48Å; E582-L635 HydrophobicContact CB-CD2 4.29Å; E582-L635 HydrophobicContact CG-CD2 3.87Å; E582-L635 WeakPolarHBondContact OE1-CD2 3.18Å; E582-F640 VanDerWaalsContact CD-CE1 3.41Å; E582-F640 HydrophobicContact CG-CD1 4.22Å; E582-F640 HydrophobicContact CG-CE1 3.58Å; E582-F640 HydrophobicContact CG-CZ 3.8Å; E582-F640 WeakPolarHBondContact OE1-CD1 3.41Å; E582-F640 WeakPolarHBondContact OE1-CE1 3.42Å; E582-F640 VanDerWaalsContact OE1-CG 3.29Å; E582-F640 WeakPolarHBondContact OE1-CG 3.46Å
583	N	64.3	Low	55.6	Low	82 Å²	82	56.7 Å²	56.7	44%	0.439	29%	0.285	S	S	.	.	H	α-helix	trans	-59.1	-41.7	175.9	-70.7	-33.2	0	0	0	111.2	K579 D580 L586 E587	K579-N583 WeakPolarHBondContact O-CB 3.48Å; K579-N583 PolarHBondContact O-N 3.29Å; K579-N583 PolarHBondContact O-ND2 3.47Å; D580-N583 PolarHBondContact OD1-ND2 3.43Å; D580-N583 VanDerWaalsContact OD1-ND2 3.09Å; N583-L586 CarbonylContact O-C 3.51Å; N583-L586 VanDerWaalsContact O-CB 3.28Å; N583-L586 WeakPolarHBondContact O-CB 3.08Å; N583-L586 PolarHBondContact O-N 2.88Å; N583-E587 WeakPolarHBondContact O-CG 3.38Å; N583-E587 PolarHBondContact O-N 3.46Å
584	E	60.6	Low	56.2	Low	4 Å²	4	57.9 Å²	57.9	2%	0.019	29%	0.288	C	S	.	.	H	α-helix	trans	-76.2	-29.7	177.7	-172.1	169.4	-150.7	0	0	113.6	Y316 R321 L324 D580 L581 E582 L586 E587 N588	Y316-E584 VanDerWaalsContact CE1-OE1 3.26Å; Y316-E584 WeakPolarHBondContact CE1-OE1 3.38Å; Y316-E584 WeakPolarHBondContact CE1-OE2 3.38Å; Y316-E584 PolarHBondContact OH-OE1 3.49Å; Y316-E584 PolarHBondContact OH-OE2 2.91Å; R321-E584 IonicContact CZ-OE1 3.44Å; R321-E584 VanDerWaalsContact CZ-OE1 3.24Å; R321-E584 IonicContact NH1-OE1 3.09Å; R321-E584 PolarHBondContact NH1-OE1 3.24Å; R321-E584 IonicContact NH2-OE1 2.83Å; L324-E584 WeakPolarHBondContact CD1-OE1 3.42Å; L324-E584 WeakPolarHBondContact CD1-OE2 3.41Å; D580-E584 PolarHBondContact O-N 3.16Å; L581-E584 PolarHBondContact O-N 2.88Å; E582-E584 VanDerWaalsContact C-N 3.32Å; E582-E584 PolarHBondContact O-N 2.98Å; E584-L586 VanDerWaalsContact C-N 3.27Å; E584-E587 PolarHBondContact O-N 2.87Å; E584-N588 WeakPolarHBondContact CG-ND2 3.5Å; E584-N588 WeakPolarHBondContact O-CB 3.35Å; E584-N588 PolarHBondContact O-N 2.87Å; E584-N588 PolarHBondContact O-ND2 2.87Å
585	L	58.2	Low	56.8	Low	31 Å²	31	58.1 Å²	58.1	16%	0.162	29%	0.29	C	S	.	.	H	α-helix	trans	-62.5	-36.9	166.6	-76.6	166	0	0	0	111.2	L290 I294 L581 E582 Y589 I592	L290-L585 HydrophobicContact CB-CD2 3.75Å; L290-L585 HydrophobicContact CD1-CD2 4.17Å; L290-L585 HydrophobicContact CD2-CD2 3.89Å; L290-L585 HydrophobicContact CD2-CG 4.26Å; L290-L585 HydrophobicContact CG-CD2 4.14Å; I294-L585 HydrophobicContact CD1-CD2 3.78Å; I294-L585 HydrophobicContact CG1-CD1 4.44Å; I294-L585 HydrophobicContact CG1-CD2 3.89Å; L581-L585 WeakPolarHBondContact O-CB 3.45Å; L581-L585 WeakPolarHBondContact O-CD1 3.45Å; L581-L585 WeakPolarHBondContact O-CG 3.13Å; L581-L585 PolarHBondContact O-N 3.2Å; E582-L585 WeakPolarHBondContact O-CB 3.31Å; E582-L585 PolarHBondContact O-N 3.1Å; L585-Y589 WeakPolarHBondContact O-CA 3.1Å; L585-Y589 WeakPolarHBondContact O-CB 3.27Å; L585-Y589 PolarHBondContact O-N 2.88Å; L585-I592 HydrophobicContact CD2-CD1 3.88Å
586	L	57.2	Low	56.8	Low	70 Å²	70	54.9 Å²	54.9	37%	0.366	27%	0.273	S	S	.	.	H	α-helix	trans	-70.2	-36.9	171.8	-89.5	153.5	0	0	0	112.9	E582 N583 E584 Y589 V631	E582-L586 WeakPolarHBondContact O-CB 3.47Å; E582-L586 PolarHBondContact O-N 3.48Å; N583-L586 CarbonylContact O-C 3.51Å; N583-L586 VanDerWaalsContact O-CB 3.28Å; N583-L586 WeakPolarHBondContact O-CB 3.08Å; N583-L586 PolarHBondContact O-N 2.88Å; E584-L586 VanDerWaalsContact C-N 3.27Å; L586-Y589 WeakPolarHBondContact O-CD1 3.41Å; L586-V631 HydrophobicContact CD2-CB 4.42Å; L586-V631 HydrophobicContact CD2-CG1 3.96Å; L586-V631 HydrophobicContact CD2-CG2 3.52Å
587	E	65.8	Low	56.7	Low	133 Å²	133	53.2 Å²	53.2	62%	0.621	27%	0.266	S	S	*	.	H	α-helix	trans	-67	-44.5	173.7	-74.9	-176.3	161.8	0	0	111.7	R321 N583 E584 Y589	R321-E587 IonicContact NH2-OE2 3.66Å; N583-E587 WeakPolarHBondContact O-CG 3.38Å; N583-E587 PolarHBondContact O-N 3.46Å; E584-E587 PolarHBondContact O-N 2.87Å; E587-Y589 VanDerWaalsContact C-N 3.29Å; E587-Y589 PolarHBondContact O-N 3.41Å
588	N	61.3	Low	56.3	Low	40 Å²	40	53.5 Å²	53.5	21%	0.214	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	8.9	-176.9	-67.5	-86.3	0	0	0	113.6	L290 E584 E590 G591 I592	L290-N588 HydrophobicContact CD1-CB 4.26Å; E584-N588 WeakPolarHBondContact CG-ND2 3.5Å; E584-N588 WeakPolarHBondContact O-CB 3.35Å; E584-N588 PolarHBondContact O-N 2.87Å; E584-N588 PolarHBondContact O-ND2 2.87Å; N588-E590 VanDerWaalsContact C-N 3.33Å; N588-E590 PolarHBondContact O-N 3.03Å; N588-G591 PolarHBondContact O-N 2.81Å; N588-G591 VanDerWaalsContact O-N 3.13Å; N588-I592 HydrophobicContact CB-CD1 4.35Å; N588-I592 WeakPolarHBondContact O-CG1 3.24Å; N588-I592 PolarHBondContact O-N 3.27Å
589	Y	58.5	Low	55.6	Low	57 Å²	57	55.8 Å²	55.8	22%	0.224	28%	0.281	C	S	.	.	H	α-helix	trans	-61.2	-36.2	-168.4	92.8	-73.3	0	0	0	113.6	L585 L586 E587 I592 L593 K627	L585-Y589 WeakPolarHBondContact O-CA 3.1Å; L585-Y589 WeakPolarHBondContact O-CB 3.27Å; L585-Y589 PolarHBondContact O-N 2.88Å; L586-Y589 WeakPolarHBondContact O-CD1 3.41Å; E587-Y589 VanDerWaalsContact C-N 3.29Å; E587-Y589 PolarHBondContact O-N 3.41Å; Y589-I592 PolarHBondContact O-N 3.02Å; Y589-L593 HydrophobicContact CD2-CD1 3.83Å; Y589-L593 HydrophobicContact CE2-CD1 4.07Å; Y589-L593 VanDerWaalsContact O-CG 3.31Å; Y589-L593 WeakPolarHBondContact O-CG 3.39Å; Y589-L593 PolarHBondContact O-N 3.46Å; Y589-K627 HydrophobicContact CE2-CD 4.25Å; Y589-K627 HydrophobicContact CE2-CG 4.33Å; Y589-K627 WeakPolarHBondContact OH-CD 3.32Å; Y589-K627 WeakPolarHBondContact OH-CE 3.48Å; Y589-K627 PolarHBondContact OH-NZ 3.09Å
590	E	56.1	Low	54.6	Low	103 Å²	103	53.4 Å²	53.4	48%	0.481	28%	0.276	S	S	.	.	H	α-helix	trans	-64.6	-48.2	176.3	-55.4	-166.2	160.8	0	0	110.1	N588 I592 L593 E594 K627	N588-E590 VanDerWaalsContact C-N 3.33Å; N588-E590 PolarHBondContact O-N 3.03Å; E590-I592 VanDerWaalsContact C-N 3.32Å; E590-I592 PolarHBondContact O-N 3.5Å; E590-L593 PolarHBondContact O-N 3.08Å; E590-L593 VanDerWaalsContact O-N 3.13Å; E590-E594 WeakPolarHBondContact O-CB 3.47Å; E590-E594 WeakPolarHBondContact O-CG 3.27Å; E590-E594 PolarHBondContact O-N 3.28Å; E590-K627 IonicContact OE1-NZ 3.88Å
591	G	58.8	Low	53.7	Low	24 Å²	24	55.1 Å²	55.1	25%	0.247	29%	0.289	C	S	.	.	H	α-helix	trans	-57.9	-42.8	174.7	0	0	0	0	0	112.6	V287 N588 L593 E594 T595	V287-G591 WeakPolarHBondContact CG1-O 3.49Å; N588-G591 PolarHBondContact O-N 2.81Å; N588-G591 VanDerWaalsContact O-N 3.13Å; G591-L593 VanDerWaalsContact C-N 3.3Å; G591-L593 PolarHBondContact O-N 3.19Å; G591-E594 PolarHBondContact O-N 3.28Å; G591-T595 VanDerWaalsContact O-CG2 3.29Å; G591-T595 WeakPolarHBondContact O-CG2 3.48Å; G591-T595 PolarHBondContact O-N 3.37Å
592	I	58.5	Low	53.1	Low	13 Å²	13	56.8 Å²	56.8	7%	0.067	30%	0.3	C	S	.	.	H	α-helix	trans	-61.7	-39.7	178.3	-67.4	170.2	0	0	0	110.8	V287 L290 R291 L585 N588 Y589 E590 T595	V287-I592 HydrophobicContact CG1-CB 4.42Å; V287-I592 HydrophobicContact CG1-CG1 3.86Å; L290-I592 HydrophobicContact CB-CD1 4.11Å; L290-I592 HydrophobicContact CD1-CD1 4.45Å; R291-I592 HydrophobicContact CB-CG2 4.39Å; R291-I592 PolarHBondContact NH1-O 2.93Å; L585-I592 HydrophobicContact CD2-CD1 3.88Å; N588-I592 HydrophobicContact CB-CD1 4.35Å; N588-I592 WeakPolarHBondContact O-CG1 3.24Å; N588-I592 PolarHBondContact O-N 3.27Å; Y589-I592 PolarHBondContact O-N 3.02Å; E590-I592 VanDerWaalsContact C-N 3.32Å; E590-I592 PolarHBondContact O-N 3.5Å; I592-T595 PolarHBondContact O-OG1 3.49Å
593	L	53.8	Low	52.3	Low	66 Å²	66	65.2 Å²	65.2	35%	0.346	34%	0.339	S	S	.	.	H	α-helix	trans	-71.3	-40	174.9	-68.7	167.7	0	0	0	112.6	Y589 E590 G591 T595	Y589-L593 HydrophobicContact CD2-CD1 3.83Å; Y589-L593 HydrophobicContact CE2-CD1 4.07Å; Y589-L593 VanDerWaalsContact O-CG 3.31Å; Y589-L593 WeakPolarHBondContact O-CG 3.39Å; Y589-L593 PolarHBondContact O-N 3.46Å; E590-L593 PolarHBondContact O-N 3.08Å; E590-L593 VanDerWaalsContact O-N 3.13Å; G591-L593 VanDerWaalsContact C-N 3.3Å; G591-L593 PolarHBondContact O-N 3.19Å; L593-T595 VanDerWaalsContact C-N 3.28Å; L593-T595 PolarHBondContact O-N 3.46Å
594	E	54.8	Low	51.6	Low	108 Å²	108	67.8 Å²	67.8	51%	0.505	35%	0.352	S	S	.	.	H	α-helix	trans	-70.4	-17.3	179.7	-73.6	-175.4	158.1	0	0	113.8	E590 G591 V596 E597	E590-E594 WeakPolarHBondContact O-CB 3.47Å; E590-E594 WeakPolarHBondContact O-CG 3.27Å; E590-E594 PolarHBondContact O-N 3.28Å; G591-E594 PolarHBondContact O-N 3.28Å; E594-V596 PolarHBondContact O-N 2.86Å; E594-E597 PolarHBondContact O-N 3.18Å
595	T	56.1	Low	50.2	Low	26 Å²	26	70 Å²	70	16%	0.16	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-12.5	179.1	53.3	0	0	0	0	115.7	V287 F288 R291 G591 I592 L593	V287-T595 HydrophobicContact CG1-CG2 3.48Å; V287-T595 VanDerWaalsContact CG1-CG2 3.48Å; F288-T595 HydrophobicContact CD1-CG2 3.94Å; F288-T595 HydrophobicContact CD2-CG2 4.44Å; F288-T595 HydrophobicContact CE1-CG2 3.56Å; F288-T595 HydrophobicContact CE2-CG2 4.09Å; F288-T595 HydrophobicContact CG-CG2 4.36Å; F288-T595 HydrophobicContact CZ-CG2 3.64Å; R291-T595 PolarHBondContact NH1-OG1 2.93Å; G591-T595 VanDerWaalsContact O-CG2 3.29Å; G591-T595 WeakPolarHBondContact O-CG2 3.48Å; G591-T595 PolarHBondContact O-N 3.37Å; I592-T595 PolarHBondContact O-OG1 3.49Å; L593-T595 VanDerWaalsContact C-N 3.28Å; L593-T595 PolarHBondContact O-N 3.46Å
596	V	49.2	Very low	49	Very low	4 Å²	4	74.7 Å²	74.7	2%	0.024	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.8	69.9	173.1	-160.3	0	0	0	0	111.6	L253 Q254 E594 F598	L253-V596 HydrophobicContact CD2-CG2 4.09Å; L253-V596 HydrophobicContact CG-CG2 4.33Å; Q254-V596 HydrophobicContact CG-CG1 3.99Å; E594-V596 PolarHBondContact O-N 2.86Å; V596-F598 HydrophobicContact CB-CE2 4.12Å; V596-F598 HydrophobicContact CG1-CD2 3.73Å; V596-F598 HydrophobicContact CG1-CE1 4.49Å; V596-F598 HydrophobicContact CG1-CE2 3.27Å; V596-F598 HydrophobicContact CG1-CG 4.48Å; V596-F598 HydrophobicContact CG1-CZ 3.73Å; V596-F598 WeakPolarHBondContact O-CD2 3.41Å; V596-F598 PolarHBondContact O-N 3.29Å
597	E	46.2	Very low	47.9	Very low	88 Å²	88	75.8 Å²	75.8	41%	0.411	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	112	151.2	-67.1	-155.4	136.3	0	0	109.8	Q254 E594 V599 I609 Q611	Q254-E597 PolarHBondContact NE2-O 3.27Å; E594-E597 PolarHBondContact O-N 3.18Å; E597-V599 PolarHBondContact O-N 3.48Å; E597-I609 HydrophobicContact CB-CG2 4.13Å; E597-I609 HydrophobicContact CG-CG2 4.23Å; E597-Q611 HydrophobicContact CG-CG 4.12Å; E597-Q611 PolarHBondContact OE1-NE2 2.92Å
598	F	42.6	Very low	46.5	Very low	26 Å²	26	72.3 Å²	72.3	11%	0.114	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	103.3	168	-70.6	-103.4	0	0	0	108.6	V257 R258 V596 T600 I609 S610 M612	V257-F598 HydrophobicContact CG1-CZ 4.08Å; R258-F598 HydrophobicContact CG-CE1 4.13Å; V596-F598 HydrophobicContact CB-CE2 4.12Å; V596-F598 HydrophobicContact CG1-CD2 3.73Å; V596-F598 HydrophobicContact CG1-CE1 4.49Å; V596-F598 HydrophobicContact CG1-CE2 3.27Å; V596-F598 HydrophobicContact CG1-CG 4.48Å; V596-F598 HydrophobicContact CG1-CZ 3.73Å; V596-F598 WeakPolarHBondContact O-CD2 3.41Å; V596-F598 PolarHBondContact O-N 3.29Å; F598-T600 VanDerWaalsContact C-N 3.34Å; F598-T600 PolarHBondContact O-N 2.95Å; F598-I609 WeakPolarHBondContact O-CA 3.45Å; F598-S610 WeakPolarHBondContact CB-O 3.07Å; F598-S610 WeakPolarHBondContact CD2-O 3.13Å; F598-S610 PolarHBondContact N-O 2.99Å; F598-S610 PolarHBondContact O-N 2.84Å; F598-M612 HydrophobicContact CD2-CB 3.98Å; F598-M612 HydrophobicContact CE2-CB 3.39Å; F598-M612 HydrophobicContact CE2-CG 4.49Å; F598-M612 HydrophobicContact CE2-SD 4.47Å; F598-M612 HydrophobicContact CZ-CB 4.18Å; F598-M612 HydrophobicContact CZ-SD 4.37Å
599	V	38.1	Very low	45.4	Very low	74 Å²	74	75.1 Å²	75.1	45%	0.448	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	75.2	171.6	-174.2	0	0	0	0	108.7	E597 V601 T607	E597-V599 PolarHBondContact O-N 3.48Å; V599-V601 PolarHBondContact O-N 3.41Å; V599-T607 HydrophobicContact CG1-CG2 3.45Å; V599-T607 VanDerWaalsContact CG1-CG2 3.45Å
600	T	37.6	Very low	44.4	Very low	70 Å²	70	75.1 Å²	75.1	43%	0.429	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	111	177.4	45.4	0	0	0	0	110.6	F598 V608	F598-T600 VanDerWaalsContact C-N 3.34Å; F598-T600 PolarHBondContact O-N 2.95Å; T600-V608 PolarHBondContact N-O 3.17Å; T600-V608 PolarHBondContact O-N 2.96Å; T600-V608 PolarHBondContact OG1-O 3.37Å
601	V	36.6	Very low	43.6	Very low	92 Å²	92	75.3 Å²	75.3	56%	0.558	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.2	121.7	168.3	-176.6	0	0	0	0	108.6	V599 Q606	V599-V601 PolarHBondContact O-N 3.41Å; V601-Q606 WeakPolarHBondContact CA-O 3.38Å
602	T	43.8	Very low	42.6	Very low	49 Å²	49	79 Å²	79	30%	0.301	43%	0.43	S	S	.	.			trans	-69.5	167.4	175.8	71.8	0	0	0	0	111.6	D604 G605 Q606 V608	T602-D604 WeakPolarHBondContact CB-OD2 3.19Å; T602-D604 PolarHBondContact O-N 3.31Å; T602-D604 VanDerWaalsContact O-N 3.13Å; T602-D604 PolarHBondContact OG1-N 3.25Å; T602-D604 PolarHBondContact OG1-OD2 2.95Å; T602-G605 PolarHBondContact O-N 2.91Å; T602-Q606 HydrophobicContact CG2-CB 4.4Å; T602-Q606 PolarHBondContact N-O 2.73Å; T602-Q606 PolarHBondContact OG1-N 3.36Å; T602-V608 HydrophobicContact CG2-CG2 4.16Å
603	E	39.8	Very low	41.2	Very low	209 Å²	209	80.3 Å²	80.3	98%	0.977	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-23.6	173	-61.8	-170.3	144.8	0	0	112.5	G605	E603-G605 VanDerWaalsContact C-N 3.25Å; E603-G605 PolarHBondContact O-N 3.27Å
604	D	50.6	Low	40.1	Very low	136 Å²	136	79.1 Å²	79.1	73%	0.727	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-3.9	174	-30.5	-81.1	0	0	0	113.8	T602	T602-D604 WeakPolarHBondContact CB-OD2 3.19Å; T602-D604 PolarHBondContact O-N 3.31Å; T602-D604 VanDerWaalsContact O-N 3.13Å; T602-D604 PolarHBondContact OG1-N 3.25Å; T602-D604 PolarHBondContact OG1-OD2 2.95Å
605	G	31.1	Very low	38.8	Very low	50 Å²	50	79.2 Å²	79.2	52%	0.515	45%	0.447	S	S	.	.			trans	81	15.1	-175.5	0	0	0	0	0	115	T602 E603	T602-G605 PolarHBondContact O-N 2.91Å; E603-G605 VanDerWaalsContact C-N 3.25Å; E603-G605 PolarHBondContact O-N 3.27Å
606	Q	32.4	Very low	37.4	Very low	131 Å²	131	83.4 Å²	83.4	61%	0.612	47%	0.469	S	S	*	.			trans	-85.2	122.2	177.7	-66.9	-165.7	2.6	0	0	112	V601 T602 V608	V601-Q606 WeakPolarHBondContact CA-O 3.38Å; T602-Q606 HydrophobicContact CG2-CB 4.4Å; T602-Q606 PolarHBondContact N-O 2.73Å; T602-Q606 PolarHBondContact OG1-N 3.36Å; Q606-V608 PolarHBondContact O-N 3.46Å
607	T	33.9	Very low	36.3	Very low	92 Å²	92	89 Å²	89	56%	0.564	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.5	102.4	173.9	-46	0	0	0	0	110.9	V599	V599-T607 HydrophobicContact CG1-CG2 3.45Å; V599-T607 VanDerWaalsContact CG1-CG2 3.45Å
608	V	36.8	Very low	35.3	Very low	60 Å²	60	90.1 Å²	90.1	36%	0.364	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	124	171.6	179.2	0	0	0	0	108.7	T600 T602 Q606	T600-V608 PolarHBondContact N-O 3.17Å; T600-V608 PolarHBondContact O-N 2.96Å; T600-V608 PolarHBondContact OG1-O 3.37Å; T602-V608 HydrophobicContact CG2-CG2 4.16Å; Q606-V608 PolarHBondContact O-N 3.46Å
609	I	37.6	Very low	34.5	Very low	99 Å²	99	95.4 Å²	95.4	51%	0.508	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.2	124.4	171.8	-54.5	178.4	0	0	0	108.1	E597 F598	E597-I609 HydrophobicContact CB-CG2 4.13Å; E597-I609 HydrophobicContact CG-CG2 4.23Å; F598-I609 WeakPolarHBondContact O-CA 3.45Å
610	S	37.9	Very low	34.2	Very low	58 Å²	58	96.3 Å²	96.3	41%	0.406	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-128.4	131.1	171.8	-60.5	0	0	0	0	110.2	F598	F598-S610 WeakPolarHBondContact CB-O 3.07Å; F598-S610 WeakPolarHBondContact CD2-O 3.13Å; F598-S610 PolarHBondContact N-O 2.99Å; F598-S610 PolarHBondContact O-N 2.84Å
611	Q	39.1	Very low	33.8	Very low	106 Å²	106	98.8 Å²	98.8	50%	0.495	57%	0.574	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.1	120.3	170.2	-69.3	174.3	-9.4	0	0	108.4	E597	E597-Q611 HydrophobicContact CG-CG 4.12Å; E597-Q611 PolarHBondContact OE1-NE2 2.92Å
612	M	38.1	Very low	33.5	Very low	101 Å²	101	102.1 Å²	102.1	50%	0.498	59%	0.588	S	S	.	*			trans	-100	95.8	178.1	-158.8	169.2	-173.2	0	0	110.3	F598	F598-M612 HydrophobicContact CD2-CB 3.98Å; F598-M612 HydrophobicContact CE2-CB 3.39Å; F598-M612 HydrophobicContact CE2-CG 4.49Å; F598-M612 HydrophobicContact CE2-SD 4.47Å; F598-M612 HydrophobicContact CZ-CB 4.18Å; F598-M612 HydrophobicContact CZ-SD 4.37Å
613	G	30.1	Very low	33.2	Very low	42 Å²	42	102.6 Å²	102.6	43%	0.433	59%	0.593	S	S	.	*			trans	-57.4	147.7	161.9	0	0	0	0	0	110.4
614	C	29.4	Very low	33.1	Very low	41 Å²	41	100.1 Å²	100.1	28%	0.277	58%	0.582	S	S	.	*	S	Bend	trans	-64.9	137.2	-170.7	-63.2	0	0	0	0	113.2	M630 Y634	C614-M630 HydrophobicContact CB-CE 4.25Å; C614-Y634 PolarHBondContact SG-OH 3.16Å; C614-Y634 VanDerWaalsContact SG-OH 3.39Å
615	L	27.6	Very low	32.4	Very low	109 Å²	109	96.6 Å²	96.6	57%	0.571	57%	0.568	S	S	*	*	S	Bend	trans	70.6	156.8	172.3	-63.7	162.8	0	0	0	116.8	V617 F633	L615-V617 PolarHBondContact O-N 3.49Å; L615-F633 HydrophobicContact CD1-CE1 4.26Å; L615-F633 HydrophobicContact CD1-CE2 4.29Å; L615-F633 HydrophobicContact CD1-CZ 3.71Å
616	D	27.4	Very low	32.7	Very low	114 Å²	114	98.6 Å²	98.6	61%	0.61	56%	0.562	S	S	*	*	S	Bend	trans	-74.3	86.9	-159.2	-57.5	-90.8	0	0	0	113.6	K260	K260-D616 VanDerWaalsContact NZ-CG 3.34Å; K260-D616 IonicContact NZ-OD1 3.97Å; K260-D616 PolarHBondContact NZ-OD1 3.29Å; K260-D616 IonicContact NZ-OD2 3.84Å; K260-D616 PolarHBondContact NZ-OD2 3.27Å
617	V	25.4	Very low	33	Very low	121 Å²	121	96.9 Å²	96.9	73%	0.733	55%	0.553	S	S	*	*			trans	-125	125.6	167.9	-175	0	0	0	0	110.3	L615	L615-V617 PolarHBondContact O-N 3.49Å
618	P	24.8	Very low	33.2	Very low	113 Å²	113	98.8 Å²	98.8	73%	0.734	56%	0.555	S	S	*	*			trans	-61.1	141.2	176.4	-23.1	33.8	0	0	0	112.7
619	T	26.6	Very low	33.3	Very low	137 Å²	137	101 Å²	101	84%	0.84	57%	0.565	S	S	*	*			trans	-57.4	138.2	167.7	42.2	0	0	0	0	109.7
620	P	32.3	Very low	33.1	Very low	93 Å²	93	99.4 Å²	99.4	60%	0.604	56%	0.556	S	S	*	*				-144.4	-179.2	58.3	43.7	-26.5	0	0	0	116.3	K626	P620-K626 PolarHBondContact O-NZ 3.13Å
621	V	28.7	Very low	33.2	Very low	121 Å²	121	98.3 Å²	98.3	73%	0.733	55%	0.547	S	S	*	.			trans	55.1	130.7	166.6	-174	0	0	0	0	117.4	K626	V621-K626 PolarHBondContact O-NZ 3.48Å
622	L	30	Very low	33.3	Very low	162 Å²	162	99.6 Å²	99.6	85%	0.848	55%	0.553	S	S	*	*			trans	-77.3	132.9	169.8	-74.2	158.4	0	0	0	110.7
623	S	36.9	Very low	33.5	Very low	59 Å²	59	99.6 Å²	99.6	41%	0.413	55%	0.551	S	S	.	*			trans	-138.7	151.3	169.3	61.1	0	0	0	0	108.9	S625 K626	S623-S625 PolarHBondContact O-N 3.35Å; S623-S625 VanDerWaalsContact O-N 3.16Å; S623-S625 PolarHBondContact OG-OG 3.44Å; S623-S625 VanDerWaalsContact OG-OG 3.14Å; S623-K626 WeakPolarHBondContact O-CB 3.48Å; S623-K626 PolarHBondContact O-N 3.33Å
624	E	38.5	Very low	33.9	Very low	158 Å²	158	101.3 Å²	101.3	74%	0.738	55%	0.545	S	S	*	.	H	α-helix	trans	-58.7	-33.2	-171	-68.8	168.8	123.2	0	0	113.3	K626 K627 E628	E624-K626 PolarHBondContact O-N 2.97Å; E624-K626 VanDerWaalsContact O-N 3.12Å; E624-K627 WeakPolarHBondContact O-CA 3.03Å; E624-K627 VanDerWaalsContact O-CB 3.24Å; E624-K627 WeakPolarHBondContact O-CB 3.4Å; E624-K627 PolarHBondContact O-N 2.94Å; E624-E628 PolarHBondContact O-N 3.16Å
625	S	35.8	Very low	34.5	Very low	61 Å²	61	102.6 Å²	102.6	43%	0.427	55%	0.548	S	S	.	.	H	α-helix	trans	-57.1	-23.9	172.7	54.3	0	0	0	0	115.2	S623 K627 N629	S623-S625 PolarHBondContact O-N 3.35Å; S623-S625 VanDerWaalsContact O-N 3.16Å; S623-S625 PolarHBondContact OG-OG 3.44Å; S623-S625 VanDerWaalsContact OG-OG 3.14Å; S625-K627 VanDerWaalsContact C-N 3.34Å; S625-N629 PolarHBondContact O-N 3.14Å; S625-N629 PolarHBondContact O-OD1 2.94Å
626	K	38.5	Very low	35.1	Very low	93 Å²	93	101.2 Å²	101.2	40%	0.404	55%	0.548	S	S	.	.	H	α-helix	trans	-76	-23.6	173.4	-68.2	-177.8	178.8	175.7	0	112.3	P620 V621 S623 E624 M630	P620-K626 PolarHBondContact O-NZ 3.13Å; V621-K626 PolarHBondContact O-NZ 3.48Å; S623-K626 WeakPolarHBondContact O-CB 3.48Å; S623-K626 PolarHBondContact O-N 3.33Å; E624-K626 PolarHBondContact O-N 2.97Å; E624-K626 VanDerWaalsContact O-N 3.12Å; K626-M630 WeakPolarHBondContact O-CB 3.25Å; K626-M630 WeakPolarHBondContact O-CG 3.4Å; K626-M630 PolarHBondContact O-N 2.97Å
627	K	37.2	Very low	35.6	Very low	94 Å²	94	97.3 Å²	97.3	41%	0.409	53%	0.531	S	S	.	.	H	α-helix	trans	-67.3	-51.3	170.2	-53.9	-170.8	-174.7	-163.9	0	109	Y589 E590 E624 S625 N629 M630 V631	Y589-K627 HydrophobicContact CE2-CD 4.25Å; Y589-K627 HydrophobicContact CE2-CG 4.33Å; Y589-K627 WeakPolarHBondContact OH-CD 3.32Å; Y589-K627 WeakPolarHBondContact OH-CE 3.48Å; Y589-K627 PolarHBondContact OH-NZ 3.09Å; E590-K627 IonicContact OE1-NZ 3.88Å; E624-K627 WeakPolarHBondContact O-CA 3.03Å; E624-K627 VanDerWaalsContact O-CB 3.24Å; E624-K627 WeakPolarHBondContact O-CB 3.4Å; E624-K627 PolarHBondContact O-N 2.94Å; S625-K627 VanDerWaalsContact C-N 3.34Å; K627-N629 PolarHBondContact O-N 3.33Å; K627-M630 PolarHBondContact O-N 3.08Å; K627-V631 VanDerWaalsContact O-CB 3.28Å; K627-V631 WeakPolarHBondContact O-CB 3.45Å; K627-V631 WeakPolarHBondContact O-CG2 3.41Å; K627-V631 PolarHBondContact O-N 2.98Å
628	E	38.4	Very low	35.9	Very low	133 Å²	133	98.1 Å²	98.1	62%	0.621	54%	0.539	S	S	*	.	H	α-helix	trans	-55.7	-50.4	-179.8	-63.6	176.8	139.2	0	0	112	E624 M630 V631 E632	E624-E628 PolarHBondContact O-N 3.16Å; E628-M630 PolarHBondContact O-N 3.33Å; E628-V631 PolarHBondContact O-N 3.29Å; E628-E632 WeakPolarHBondContact O-CB 3.31Å; E628-E632 PolarHBondContact O-N 3.39Å
629	N	38.7	Very low	36.4	Very low	107 Å²	107	96.5 Å²	96.5	57%	0.572	53%	0.531	S	S	*	.	H	α-helix	trans	-66.9	-33.8	-179.3	-69.9	16.2	0	0	0	114.2	S625 K627 F633	S625-N629 PolarHBondContact O-N 3.14Å; S625-N629 PolarHBondContact O-OD1 2.94Å; K627-N629 PolarHBondContact O-N 3.33Å; N629-F633 PolarHBondContact O-N 3.42Å
630	M	34.1	Very low	36.7	Very low	65 Å²	65	92.5 Å²	92.5	32%	0.32	50%	0.502	S	S	.	.	H	α-helix	trans	-79.4	-33.8	177.5	-74.7	-60.4	-60.6	0	0	112.1	C614 K626 K627 E628 F633 Y634	C614-M630 HydrophobicContact CB-CE 4.25Å; K626-M630 WeakPolarHBondContact O-CB 3.25Å; K626-M630 WeakPolarHBondContact O-CG 3.4Å; K626-M630 PolarHBondContact O-N 2.97Å; K627-M630 PolarHBondContact O-N 3.08Å; E628-M630 PolarHBondContact O-N 3.33Å; M630-F633 HydrophobicContact CE-CD1 4.33Å; M630-F633 WeakPolarHBondContact O-CB 3.18Å; M630-F633 PolarHBondContact O-N 3.03Å; M630-Y634 HydrophobicContact CE-CE2 3.93Å; M630-Y634 WeakPolarHBondContact O-CD2 3.5Å; M630-Y634 PolarHBondContact O-N 3.24Å
631	V	40	Very low	36.7	Very low	34 Å²	34	99.1 Å²	99.1	21%	0.206	52%	0.515	C	S	.	.	H	α-helix	trans	-61.2	-49	167.7	166.5	0	0	0	0	109.1	L586 K627 E628 F633 Y634 L635	L586-V631 HydrophobicContact CD2-CB 4.42Å; L586-V631 HydrophobicContact CD2-CG1 3.96Å; L586-V631 HydrophobicContact CD2-CG2 3.52Å; K627-V631 VanDerWaalsContact O-CB 3.28Å; K627-V631 WeakPolarHBondContact O-CB 3.45Å; K627-V631 WeakPolarHBondContact O-CG2 3.41Å; K627-V631 PolarHBondContact O-N 2.98Å; E628-V631 PolarHBondContact O-N 3.29Å; V631-F633 VanDerWaalsContact C-N 3.29Å; V631-F633 PolarHBondContact O-N 3.24Å; V631-Y634 PolarHBondContact O-N 3.04Å; V631-Y634 VanDerWaalsContact O-N 3.13Å; V631-L635 HydrophobicContact CG1-CD1 3.46Å; V631-L635 VanDerWaalsContact CG1-CD1 3.46Å; V631-L635 HydrophobicContact CG1-CG 3.95Å; V631-L635 WeakPolarHBondContact O-CB 3.31Å; V631-L635 WeakPolarHBondContact O-CG 3.19Å; V631-L635 PolarHBondContact O-N 2.78Å
632	E	42	Very low	36.6	Very low	134 Å²	134	97.1 Å²	97.1	63%	0.626	50%	0.504	S	S	*	.	H	α-helix	trans	-57.4	-40	174.3	-170.7	174.1	-137.3	0	0	111.9	E628 S636	E628-E632 WeakPolarHBondContact O-CB 3.31Å; E628-E632 PolarHBondContact O-N 3.39Å; E632-S636 WeakPolarHBondContact O-CA 3.43Å; E632-S636 WeakPolarHBondContact O-CB 3.4Å; E632-S636 PolarHBondContact O-N 2.6Å; E632-S636 PolarHBondContact O-OG 3.39Å
633	F	42.3	Very low	36.3	Very low	101 Å²	101	94.6 Å²	94.6	44%	0.443	50%	0.5	S	S	.	.	H	α-helix	trans	-58.5	-49.6	173.2	179.4	-101	0	0	0	112.6	L615 N629 M630 V631 S636	L615-F633 HydrophobicContact CD1-CE1 4.26Å; L615-F633 HydrophobicContact CD1-CE2 4.29Å; L615-F633 HydrophobicContact CD1-CZ 3.71Å; N629-F633 PolarHBondContact O-N 3.42Å; M630-F633 HydrophobicContact CE-CD1 4.33Å; M630-F633 WeakPolarHBondContact O-CB 3.18Å; M630-F633 PolarHBondContact O-N 3.03Å; V631-F633 VanDerWaalsContact C-N 3.29Å; V631-F633 PolarHBondContact O-N 3.24Å; F633-S636 PolarHBondContact O-N 3.06Å; F633-S636 PolarHBondContact O-OG 2.81Å
634	Y	38.6	Very low	35.9	Very low	78 Å²	78	99.4 Å²	99.4	31%	0.306	52%	0.52	S	S	.	.	H	α-helix	trans	-70.9	-37.5	179.3	-71.6	-64.1	0	0	0	113.5	I294 C614 M630 V631 S636 A637	I294-Y634 HydrophobicContact CG2-CD1 3.74Å; I294-Y634 HydrophobicContact CG2-CE1 3.87Å; C614-Y634 PolarHBondContact SG-OH 3.16Å; C614-Y634 VanDerWaalsContact SG-OH 3.39Å; M630-Y634 HydrophobicContact CE-CE2 3.93Å; M630-Y634 WeakPolarHBondContact O-CD2 3.5Å; M630-Y634 PolarHBondContact O-N 3.24Å; V631-Y634 PolarHBondContact O-N 3.04Å; V631-Y634 VanDerWaalsContact O-N 3.13Å; Y634-S636 VanDerWaalsContact C-N 3.3Å; Y634-A637 WeakPolarHBondContact O-CB 3.21Å; Y634-A637 PolarHBondContact O-N 3.44Å
635	L	41.4	Very low	35.2	Very low	67 Å²	67	97.3 Å²	97.3	35%	0.351	52%	0.523	S	S	.	.	H	α-helix	trans	-70.5	-24.3	174.1	-61.7	177.6	0	0	0	112.3	E582 V631 A637 F640	E582-L635 HydrophobicContact CB-CD2 4.29Å; E582-L635 HydrophobicContact CG-CD2 3.87Å; E582-L635 WeakPolarHBondContact OE1-CD2 3.18Å; V631-L635 HydrophobicContact CG1-CD1 3.46Å; V631-L635 VanDerWaalsContact CG1-CD1 3.46Å; V631-L635 HydrophobicContact CG1-CG 3.95Å; V631-L635 WeakPolarHBondContact O-CB 3.31Å; V631-L635 WeakPolarHBondContact O-CG 3.19Å; V631-L635 PolarHBondContact O-N 2.78Å; L635-A637 PolarHBondContact O-N 2.93Å; L635-F640 WeakPolarHBondContact O-CB 3.17Å
636	S	40.7	Very low	35	Very low	80 Å²	80	103.3 Å²	103.3	56%	0.559	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-0.3	177	74.4	0	0	0	0	114.2	E632 F633 Y634	E632-S636 WeakPolarHBondContact O-CA 3.43Å; E632-S636 WeakPolarHBondContact O-CB 3.4Å; E632-S636 PolarHBondContact O-N 2.6Å; E632-S636 PolarHBondContact O-OG 3.39Å; F633-S636 PolarHBondContact O-N 3.06Å; F633-S636 PolarHBondContact O-OG 2.81Å; Y634-S636 VanDerWaalsContact C-N 3.3Å
637	A	36.2	Very low	34.2	Very low	32 Å²	32	107 Å²	107	26%	0.264	56%	0.563	S	S	.	*	S	Bend	trans	-53	133.4	168.6	0	0	0	0	0	110	Y634 L635 S639 F640	Y634-A637 WeakPolarHBondContact O-CB 3.21Å; Y634-A637 PolarHBondContact O-N 3.44Å; L635-A637 PolarHBondContact O-N 2.93Å; A637-S639 PolarHBondContact O-N 3.26Å; A637-F640 HydrophobicContact CB-CD2 4.18Å; A637-F640 HydrophobicContact CB-CE2 4.32Å; A637-F640 PolarHBondContact O-N 2.65Å
638	P	32.8	Very low	33.6	Very low	138 Å²	138	109.6 Å²	109.6	90%	0.896	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.4	-8.4	-162.8	-28.9	36.3	0	0	0	117.8
639	S	35.7	Very low	33	Very low	80 Å²	80	109.9 Å²	109.9	56%	0.559	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-18.6	-179.9	48.5	0	0	0	0	115.5	A637 R641	A637-S639 PolarHBondContact O-N 3.26Å; S639-R641 PolarHBondContact O-N 3.11Å
640	F	32.8	Very low	32.2	Very low	53 Å²	53	112 Å²	112	23%	0.232	60%	0.595	C	S	.	*			trans	-89.2	10.2	-168.2	-70	-66.7	0	0	0	116.1	D578 E582 L635 A637 P642	D578-F640 HydrophobicContact CB-CE1 4.22Å; E582-F640 VanDerWaalsContact CD-CE1 3.41Å; E582-F640 HydrophobicContact CG-CD1 4.22Å; E582-F640 HydrophobicContact CG-CE1 3.58Å; E582-F640 HydrophobicContact CG-CZ 3.8Å; E582-F640 WeakPolarHBondContact OE1-CD1 3.41Å; E582-F640 WeakPolarHBondContact OE1-CE1 3.42Å; E582-F640 VanDerWaalsContact OE1-CG 3.29Å; E582-F640 WeakPolarHBondContact OE1-CG 3.46Å; L635-F640 WeakPolarHBondContact O-CB 3.17Å; A637-F640 HydrophobicContact CB-CD2 4.18Å; A637-F640 HydrophobicContact CB-CE2 4.32Å; A637-F640 PolarHBondContact O-N 2.65Å; F640-P642 WeakPolarHBondContact O-CD 3.32Å
641	R	30.5	Very low	32	Very low	232 Å²	232	114.8 Å²	114.8	88%	0.875	62%	0.618	S	S	*	*			trans	-98	105.6	165.8	-77.5	-166.1	175	-148.7	-0.4	111.1	S639 S643	S639-R641 PolarHBondContact O-N 3.11Å; R641-S643 PolarHBondContact O-N 3.19Å
642	P	26.8	Very low	31.3	Very low	78 Å²	78	119.6 Å²	119.6	51%	0.506	64%	0.643	S	S	.	*			trans	-55.8	134.9	160.7	22.1	-31.6	0	0	0	110	L575 F640 L644	L575-P642 HydrophobicContact CD1-CB 3.92Å; L575-P642 HydrophobicContact CD2-CB 3.82Å; L575-P642 HydrophobicContact CD2-CG 4.25Å; F640-P642 WeakPolarHBondContact O-CD 3.32Å; P642-L644 VanDerWaalsContact C-N 3.26Å; P642-L644 PolarHBondContact O-N 2.89Å
643	S	24	Very low	30.5	Very low	110 Å²	110	119.4 Å²	119.4	77%	0.769	65%	0.645	S	S	*	*			trans	-75.6	72.5	-176.5	46.7	0	0	0	0	111.8	R641 S645	R641-S643 PolarHBondContact O-N 3.19Å; S643-S645 VanDerWaalsContact C-N 3.34Å; S643-S645 PolarHBondContact O-N 2.92Å; S643-S645 PolarHBondContact O-OG 3.5Å
644	L	28.2	Very low	29.7	Very low	160 Å²	160	122.6 Å²	122.6	84%	0.838	66%	0.662	S	S	*	*			trans	-64.2	93.6	177	-161.5	82.3	0	0	0	110.5	P642 Q646	P642-L644 VanDerWaalsContact C-N 3.26Å; P642-L644 PolarHBondContact O-N 2.89Å; L644-Q646 PolarHBondContact O-N 3.14Å
645	S	24.7	Very low	29.1	Very low	113 Å²	113	126.1 Å²	126.1	79%	0.79	69%	0.686	S	S	*	*			trans	-76.4	90.3	179.6	-65.3	0	0	0	0	109.8	S643	S643-S645 VanDerWaalsContact C-N 3.34Å; S643-S645 PolarHBondContact O-N 2.92Å; S643-S645 PolarHBondContact O-OG 3.5Å
646	Q	31	Very low	28.6	Very low	188 Å²	188	130 Å²	130	88%	0.879	71%	0.705	S	S	*	*			trans	-138.1	146	162	-120.1	164.3	48.1	0	0	113.1	L644	L644-Q646 PolarHBondContact O-N 3.14Å
647	Q	22.8	Very low	27.7	Very low	170 Å²	170	135.5 Å²	135.5	79%	0.794	72%	0.722	S	S	*	*			trans	-107.9	167.9	-163.3	-166.7	177.9	7.7	0	0	108.6
648	I	24.6	Very low	27.2	Very low	148 Å²	148	137.2 Å²	137.2	76%	0.759	74%	0.743	S	S	*	*			trans	78.5	134.3	174.2	-48.7	163.9	0	0	0	111.4
649	D	24.3	Very low	26.9	Very low	140 Å²	140	138.3 Å²	138.3	75%	0.749	74%	0.741	S	S	*	*			cis	-139.1	167.6	14	-136.7	-28	0	0	0	113.8
650	I	23.8	Very low	26.5	Very low	150 Å²	150	142.4 Å²	142.4	77%	0.769	76%	0.756	S	S	*	*			trans	-121	111.6	170.1	-58.8	174.4	0	0	0	110.8
651	P	28.4	Very low	26.1	Very low	124 Å²	124	149 Å²	149	81%	0.805	79%	0.787	S	S	*	*			trans	-91.8	144	156.8	-3.1	23.4	0	0	0	110.5
652	N	25.9	Very low	25.8	Very low	135 Å²	135	142.6 Å²	142.6	72%	0.722	78%	0.778	S	S	*	*			trans	-118.9	133.3	-170.1	-164.1	14.7	0	0	0	113
653	L	24.8	Very low	25.8	Very low	130 Å²	130	147.5 Å²	147.5	68%	0.681	80%	0.798	S	S	*	*			trans	60.2	146.9	159.4	-114.7	69.5	0	0	0	121.5
654	Q	24.9	Very low	25.8	Very low	169 Å²	169	151 Å²	151	79%	0.79	80%	0.803	S	S	*	*			trans	67.2	98.4	152.6	-71.8	164.4	-35.7	0	0	119.4
655	D	27.3	Very low	25.7	Very low	152 Å²	152	148.7 Å²	148.7	81%	0.813	80%	0.8	S	S	*	*				-157.9	151	112.4	-118.5	-21.5	0	0	0	111.2
656	I	29.5	Very low	25.7	Very low	147 Å²	147	152.6 Å²	152.6	75%	0.754	81%	0.808	S	S	*	*			trans	60.6	98.8	166.7	-55.2	164.1	0	0	0	114.4
657	E	23.2	Very low	25.5	Very low	197 Å²	197	149.6 Å²	149.6	92%	0.921	81%	0.808	S	S	*	*				48.7	81	56	-70.3	-163	152.3	0	0	115.1
658	G	24.8	Very low	25.6	Very low	68 Å²	68	150.2 Å²	150.2	70%	0.701	81%	0.811	S	S	*	*			trans	175.7	128.1	165.7	0	0	0	0	0	116.4
659	N	26.9	Very low	25.6	Very low	160 Å²	160	152 Å²	152	86%	0.856	82%	0.818	S	S	*	*			trans	56.6	88	158.4	-59.9	-15.1	0	0	0	119.1
660	L	27.2	Very low	25.7	Very low	166 Å²	166	151.3 Å²	151.3	87%	0.869	81%	0.814	S	S	*	*				-148.7	23.2	126.5	-116	159.1	0	0	0	115.3	S662	L660-S662 PolarHBondContact O-N 3.04Å
661	E	23.5	Very low	25.8	Very low	192 Å²	192	155.5 Å²	155.5	90%	0.897	82%	0.82	S	S	*	*			trans	-78.7	84.2	154	-76.2	-166.7	146.9	0	0	109.5
662	S	25.6	Very low	25.7	Very low	98 Å²	98	156 Å²	156	69%	0.685	82%	0.816	S	S	*	*			trans	-171.6	99.8	162.5	-85.9	0	0	0	0	112.1	L660	L660-S662 PolarHBondContact O-N 3.04Å
663	I	26.8	Very low	25.8	Very low	180 Å²	180	154.6 Å²	154.6	92%	0.923	82%	0.817	S	S	*	*				176.1	72.8	127.4	-84.8	153.1	0	0	0	106.7
664	E	24.2	Very low	25.8	Very low	184 Å²	184	155.4 Å²	155.4	86%	0.86	82%	0.822	S	S	*	*	S	Bend	trans	-135.4	144.1	160.6	-159.3	174.2	-136.2	0	0	107.6
665	S	24.4	Very low	26	Very low	112 Å²	112	155.1 Å²	155.1	78%	0.783	83%	0.825	S	S	*	*			trans	60.9	77.3	174.9	-61.2	0	0	0	0	118.9
666	M	25.7	Very low	25.9	Very low	195 Å²	195	152.4 Å²	152.4	96%	0.961	82%	0.818	S	S	*	*			trans	-158.9	94.4	137.2	-108.8	-150.5	-58.4	0	0	114.2
667	S	26.5	Very low	25.6	Very low	125 Å²	125	150.2 Å²	150.2	87%	0.874	82%	0.816	S	S	*	*			trans	-165.3	81.9	148.3	-166.4	0	0	0	0	111.7
668	Q	24.4	Very low	25.7	Very low	183 Å²	183	148.5 Å²	148.5	86%	0.855	81%	0.808	S	S	*	*			trans	-125.5	102.9	163	-75.6	-168.6	6.1	0	0	109.7
669	M	25.8	Very low	25.6	Very low	184 Å²	184	151.2 Å²	151.2	91%	0.906	81%	0.806	S	S	*	*			trans	-171.2	78.2	139.3	-109.4	177.4	-77.6	0	0	114.3
670	N	25.4	Very low	25.7	Very low	126 Å²	126	151.4 Å²	151.4	67%	0.674	81%	0.806	S	S	*	*				9.9	113.4	128.3	-176.7	1.4	0	0	0	118.2
671	R	27.3	Very low	25.6	Very low	238 Å²	238	150 Å²	150	90%	0.898	80%	0.8	S	S	*	*			trans	-174.1	113.8	138.4	-98.5	156	-171	-172.1	4.3	108.1
672	N	25.6	Very low	25.9	Very low	135 Å²	135	146.1 Å²	146.1	72%	0.722	79%	0.794	S	S	*	*			cis	104	146	49.8	-99.5	-8.4	0	0	0	112.5
673	S	28.9	Very low	26.1	Very low	105 Å²	105	144.5 Å²	144.5	73%	0.734	79%	0.793	S	S	*	*			trans	84.9	138.2	169.9	82.7	0	0	0	0	117.3
674	N	24.4	Very low	26.3	Very low	148 Å²	148	144.1 Å²	144.1	79%	0.791	79%	0.793	S	S	*	*			cis	-169.5	174.7	-23.9	-115.8	-8.3	0	0	0	110.1
675	L	28.2	Very low	26.5	Very low	162 Å²	162	138.5 Å²	138.5	85%	0.848	78%	0.778	S	S	*	*			trans	72.5	153.6	170.3	-52.3	172.6	0	0	0	115.9
676	S	24.9	Very low	26.9	Very low	96 Å²	96	143 Å²	143	67%	0.671	78%	0.779	S	S	*	*			cis	-164.9	156.9	-32.6	51.4	0	0	0	0	110
677	S	23.5	Very low	27.1	Very low	101 Å²	101	140.3 Å²	140.3	71%	0.706	77%	0.769	S	S	*	*			trans	-34.3	141	169	51.4	0	0	0	0	117.9
678	E	25.5	Very low	27.2	Very low	161 Å²	161	141 Å²	141	75%	0.752	77%	0.768	S	S	*	*				150.2	126.6	122.4	-83.9	-158.1	-171.7	0	0	114.6
679	N	23.7	Very low	27.3	Very low	125 Å²	125	139 Å²	139	67%	0.668	77%	0.768	S	S	*	*			trans	61.3	154.8	135.9	-58.7	-38.2	0	0	0	122.7
680	L	29.3	Very low	27.4	Very low	163 Å²	163	133.2 Å²	133.2	85%	0.853	76%	0.755	S	S	*	*			trans	71	153.3	165.8	-56.2	174.2	0	0	0	117.7
681	D	24.3	Very low	27.6	Very low	136 Å²	136	133.1 Å²	133.1	73%	0.727	76%	0.759	S	S	*	*			cis	-166	163.1	-35.6	-159.4	-5.7	0	0	0	108.6
682	S	30.1	Very low	27.4	Very low	111 Å²	111	126.8 Å²	126.8	78%	0.776	75%	0.752	S	S	*	*			trans	65.2	141.1	166.2	72.9	0	0	0	0	119.1
683	G	29.5	Very low	27.5	Very low	65 Å²	65	126 Å²	126	67%	0.67	76%	0.757	S	S	*	*			cis	163.5	160.3	-13.8	0	0	0	0	0	115.3
684	N	30.5	Very low	27.5	Very low	171 Å²	171	126.2 Å²	126.2	91%	0.914	76%	0.758	S	S	*	*			trans	63.2	150.7	162	-65.7	-13.5	0	0	0	118.7
685	A	29.9	Very low	27.5	Very low	66 Å²	66	123.4 Å²	123.4	55%	0.545	76%	0.755	S	S	.	*			cis	-165.8	164.6	-19.8	0	0	0	0	0	106.5
686	Y	30.8	Very low	27.5	Very low	206 Å²	206	122.1 Å²	122.1	81%	0.808	75%	0.754	S	S	*	*			cis	-152.6	150.9	33.7	-82.9	-91.6	0	0	0	113
687	N	30.3	Very low	27.4	Very low	139 Å²	139	124.1 Å²	124.1	74%	0.743	76%	0.763	S	S	*	*			trans	23.9	144.1	137.1	-55.5	-10.8	0	0	0	120.8
688	T	29.6	Very low	27.6	Very low	140 Å²	140	125.9 Å²	125.9	86%	0.859	77%	0.768	S	S	*	*			cis	-138.5	165.5	38	41.2	0	0	0	0	115.4
689	V	25.6	Very low	27.6	Very low	141 Å²	141	122.7 Å²	122.7	86%	0.855	77%	0.77	S	S	*	*			trans	-140.7	147.6	-174.7	167.3	0	0	0	0	111.1	T691	V689-T691 HydrophobicContact CG1-CG2 4.06Å
690	G	28.9	Very low	27.8	Very low	62 Å²	62	121 Å²	121	64%	0.639	77%	0.773	S	S	*	*			trans	179.7	96.1	160.1	0	0	0	0	0	111.5
691	T	28.2	Very low	27.7	Very low	124 Å²	124	118.4 Å²	118.4	76%	0.761	78%	0.775	S	S	*	*				61.1	133.2	78.1	66.5	0	0	0	0	115.3	V689	V689-T691 HydrophobicContact CG1-CG2 4.06Å
692	S	24.6	Very low	27.8	Very low	106 Å²	106	116.3 Å²	116.3	74%	0.741	77%	0.771	S	S	*	*			cis	174.9	167.5	-18.1	45.9	0	0	0	0	109.2
693	S	26.8	Very low	27.6	Very low	119 Å²	119	119.1 Å²	119.1	83%	0.832	78%	0.777	S	S	*	*			trans	79	149.3	169.9	-143.5	0	0	0	0	115.5
694	S	28.4	Very low	27.6	Very low	108 Å²	108	120.8 Å²	120.8	76%	0.755	77%	0.774	S	S	*	*			cis	-142.9	158.7	0.4	-174.3	0	0	0	0	110.6
695	A	25	Very low	27.6	Very low	89 Å²	89	120.5 Å²	120.5	74%	0.736	77%	0.767	S	S	*	*			trans	-83.9	150.5	170.3	0	0	0	0	0	113
696	V	27.3	Very low	27.7	Very low	135 Å²	135	125.8 Å²	125.8	82%	0.818	78%	0.78	S	S	*	*			trans	-143.1	132.4	159.3	177.5	0	0	0	0	108.5	V698	V696-V698 HydrophobicContact CG1-CG2 4.33Å
697	T	24.7	Very low	27.6	Very low	139 Å²	139	122 Å²	122	85%	0.853	77%	0.77	S	S	*	*			trans	-105.1	129.4	173.6	45.5	0	0	0	0	111.1
698	V	27.5	Very low	27.5	Very low	137 Å²	137	123.2 Å²	123.2	83%	0.83	76%	0.764	S	S	*	*			trans	-141	142.4	164.6	-177.1	0	0	0	0	108.5	V696	V696-V698 HydrophobicContact CG1-CG2 4.33Å
699	A	24.5	Very low	27.6	Very low	94 Å²	94	119.9 Å²	119.9	78%	0.777	75%	0.746	S	S	*	*			trans	-90.2	143	-179	0	0	0	0	0	112.6
700	A	27.5	Very low	27.9	Very low	90 Å²	90	117.1 Å²	117.1	74%	0.744	73%	0.73	S	S	*	*			trans	-142.3	84.3	167.9	0	0	0	0	0	109.8	S702	A700-S702 PolarHBondContact O-N 3.49Å
701	A	27.6	Very low	28.4	Very low	108 Å²	108	118.8 Å²	118.8	89%	0.893	72%	0.724	S	S	*	*			trans	-96.1	56.2	-179	0	0	0	0	0	112.1
702	S	25.8	Very low	28.8	Very low	93 Å²	93	118 Å²	118	65%	0.65	71%	0.712	S	S	*	*	S	Bend	trans	-171.7	150.4	171.7	53.9	0	0	0	0	109.6	A700	A700-S702 PolarHBondContact O-N 3.49Å
703	L	26.8	Very low	29.2	Very low	169 Å²	169	119 Å²	119	89%	0.885	71%	0.705	S	S	*	*			trans	77.7	56.3	-178.6	-51	170.2	0	0	0	115.9
704	V	29.7	Very low	29.6	Very low	101 Å²	101	119.9 Å²	119.9	61%	0.612	70%	0.696	S	S	*	*			trans	-137.5	79.1	161.6	-171.8	0	0	0	0	109.8
705	E	31	Very low	30.1	Very low	164 Å²	164	120 Å²	120	77%	0.766	69%	0.686	S	S	*	*	S	Bend	trans	-129.9	-13.2	166.8	-74.8	-164.7	151.9	0	0	113.9
706	E	31	Very low	30.8	Very low	178 Å²	178	118.5 Å²	118.5	83%	0.832	66%	0.663	S	S	*	*	S	Bend	trans	-91	-36.6	178.1	-72.1	-175.4	126.9	0	0	113.9	R708 S709	E706-R708 PolarHBondContact O-N 2.86Å; E706-S709 PolarHBondContact O-N 2.87Å; E706-S709 PolarHBondContact O-OG 3.5Å
707	E	29	Very low	31.4	Very low	127 Å²	127	117.6 Å²	117.6	59%	0.593	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-60.6	-31	-178.3	-66	-179.8	138.8	0	0	113.1	S709 V710 D711	E707-S709 PolarHBondContact O-N 3.26Å; E707-V710 WeakPolarHBondContact O-CB 3.26Å; E707-V710 PolarHBondContact O-N 3.42Å; E707-D711 PolarHBondContact O-N 2.86Å
708	R	29	Very low	32	Very low	164 Å²	164	113.9 Å²	113.9	62%	0.619	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-65.3	-12.8	-173	-154.4	177.1	-172	-169.4	1.4	115	E706	E706-R708 PolarHBondContact O-N 2.86Å
709	S	31.5	Very low	32.7	Very low	69 Å²	69	109.1 Å²	109.1	48%	0.483	60%	0.597	S	S	.	*	G	3₁₀ helix	trans	-87	-26.4	172.4	61.9	0	0	0	0	113	E706 E707 Q713	E706-S709 PolarHBondContact O-N 2.87Å; E706-S709 PolarHBondContact O-OG 3.5Å; E707-S709 PolarHBondContact O-N 3.26Å; S709-Q713 PolarHBondContact O-N 3.47Å
710	V	30.8	Very low	33.5	Very low	84 Å²	84	106.1 Å²	106.1	51%	0.509	57%	0.568	S	S	.	*	H	α-helix	trans	-74.9	-43.4	175.7	-174	0	0	0	0	109.6	E707 Q712 Q713 E714	E707-V710 WeakPolarHBondContact O-CB 3.26Å; E707-V710 PolarHBondContact O-N 3.42Å; V710-Q712 PolarHBondContact O-N 3.19Å; V710-Q712 VanDerWaalsContact O-N 3.16Å; V710-Q713 PolarHBondContact O-N 2.86Å; V710-E714 PolarHBondContact O-N 2.84Å
711	D	39.1	Very low	34	Very low	97 Å²	97	107.2 Å²	107.2	52%	0.519	56%	0.561	S	S	.	*	H	α-helix	trans	-50	-41.2	172.7	-69.4	-29	0	0	0	112	E707 M715	E707-D711 PolarHBondContact O-N 2.86Å; D711-M715 WeakPolarHBondContact O-CB 3.22Å; D711-M715 PolarHBondContact O-N 3Å
712	Q	36.6	Very low	34.4	Very low	107 Å²	107	105.4 Å²	105.4	50%	0.5	53%	0.534	S	S	.	.	H	α-helix	trans	-70.8	-33.8	179.8	-71.3	-173.2	-36	0	0	112.7	V710 F716	V710-Q712 PolarHBondContact O-N 3.19Å; V710-Q712 VanDerWaalsContact O-N 3.16Å; Q712-F716 WeakPolarHBondContact O-CB 3.43Å; Q712-F716 PolarHBondContact O-N 3.11Å
713	Q	33.4	Very low	34.9	Very low	127 Å²	127	101 Å²	101	59%	0.593	50%	0.503	S	S	*	.	H	α-helix	trans	-75.1	-39.7	175.1	-71.1	-172.9	-21.8	0	0	112.1	S709 V710 F716 F717	S709-Q713 PolarHBondContact O-N 3.47Å; V710-Q713 PolarHBondContact O-N 2.86Å; Q713-F716 WeakPolarHBondContact O-CB 3.4Å; Q713-F716 PolarHBondContact O-N 3Å; Q713-F717 VanDerWaalsContact O-CD2 3.27Å; Q713-F717 WeakPolarHBondContact O-CD2 3.31Å; Q713-F717 PolarHBondContact O-N 2.86Å
714	E	34.7	Very low	35.4	Very low	137 Å²	137	93.8 Å²	93.8	64%	0.64	47%	0.465	S	S	*	.	H	α-helix	trans	-71.7	-35.8	177.6	-165.3	161.4	-130.7	0	0	111.6	V710 S718	V710-E714 PolarHBondContact O-N 2.84Å; E714-S718 WeakPolarHBondContact O-CB 3.28Å; E714-S718 PolarHBondContact O-N 3.13Å; E714-S718 PolarHBondContact O-OG 2.9Å
715	M	38.8	Very low	35.4	Very low	112 Å²	112	91.3 Å²	91.3	55%	0.552	45%	0.452	S	S	*	.	H	α-helix	trans	-68	-33.4	167.6	-172.3	175.5	67	0	0	112.4	D711 L719	D711-M715 WeakPolarHBondContact O-CB 3.22Å; D711-M715 PolarHBondContact O-N 3Å; M715-L719 WeakPolarHBondContact O-CB 3.44Å; M715-L719 PolarHBondContact O-N 3.29Å
716	F	40.6	Very low	35.3	Very low	57 Å²	57	87.8 Å²	87.8	25%	0.25	43%	0.432	C	S	.	.	H	α-helix	trans	-67.8	-45.4	174.1	159.2	-91.2	0	0	0	112.2	V51 Q712 Q713 S718 L719 L720	V51-F716 HydrophobicContact CG2-CD2 4.39Å; V51-F716 HydrophobicContact CG2-CE2 3.82Å; Q712-F716 WeakPolarHBondContact O-CB 3.43Å; Q712-F716 PolarHBondContact O-N 3.11Å; Q713-F716 WeakPolarHBondContact O-CB 3.4Å; Q713-F716 PolarHBondContact O-N 3Å; F716-S718 VanDerWaalsContact C-N 3.35Å; F716-L719 PolarHBondContact O-N 3.46Å; F716-L720 HydrophobicContact CD1-CD1 4.37Å; F716-L720 HydrophobicContact CD2-CD1 4.4Å; F716-L720 HydrophobicContact CE1-CD1 3.81Å; F716-L720 HydrophobicContact CE2-CD1 3.85Å; F716-L720 HydrophobicContact CZ-CD1 3.52Å; F716-L720 PolarHBondContact O-N 2.94Å
717	F	39.4	Very low	35.3	Very low	115 Å²	115	79.5 Å²	79.5	50%	0.504	39%	0.393	S	S	.	.	H	α-helix	trans	-68.3	-36.1	173.8	-79	-65	0	0	0	111.6	Q713 L720 L721	Q713-F717 VanDerWaalsContact O-CD2 3.27Å; Q713-F717 WeakPolarHBondContact O-CD2 3.31Å; Q713-F717 PolarHBondContact O-N 2.86Å; F717-L720 PolarHBondContact O-N 3.25Å; F717-L721 WeakPolarHBondContact O-CB 3.36Å; F717-L721 PolarHBondContact O-N 3.49Å
718	S	37.2	Very low	35.5	Very low	62 Å²	62	77.2 Å²	77.2	43%	0.434	38%	0.383	S	S	.	.	H	α-helix	trans	-64.1	-40	170.9	-66.1	0	0	0	0	111.3	E714 F716 L721 E722	E714-S718 WeakPolarHBondContact O-CB 3.28Å; E714-S718 PolarHBondContact O-N 3.13Å; E714-S718 PolarHBondContact O-OG 2.9Å; F716-S718 VanDerWaalsContact C-N 3.35Å; S718-L721 PolarHBondContact O-N 3.29Å; S718-E722 WeakPolarHBondContact O-CA 3.48Å; S718-E722 WeakPolarHBondContact O-CB 3.47Å; S718-E722 PolarHBondContact O-N 3.42Å
719	L	43.5	Very low	35.5	Very low	36 Å²	36	71.9 Å²	71.9	19%	0.188	37%	0.367	C	S	.	.	H	α-helix	trans	-70.4	-37	177.5	-173.2	151.6	0	0	0	111.8	M17 E20 V51 M715 F716 S723	M17-L719 HydrophobicContact CG-CD1 4.25Å; E20-L719 WeakPolarHBondContact OE2-CD2 3.48Å; E20-L719 WeakPolarHBondContact OE2-CG 3.23Å; V51-L719 HydrophobicContact CG1-CD2 4.18Å; M715-L719 WeakPolarHBondContact O-CB 3.44Å; M715-L719 PolarHBondContact O-N 3.29Å; F716-L719 PolarHBondContact O-N 3.46Å; L719-S723 WeakPolarHBondContact O-CA 3.44Å; L719-S723 WeakPolarHBondContact O-CB 3.2Å; L719-S723 PolarHBondContact O-N 2.92Å; L719-S723 PolarHBondContact O-OG 3.47Å
720	L	40	Very low	35.2	Very low	31 Å²	31	72.5 Å²	72.5	16%	0.162	36%	0.362	C	S	.	.	H	α-helix	trans	-65.8	-48.7	170.2	-90	163	0	0	0	111.9	V51 F716 F717 S723 Q724	V51-L720 HydrophobicContact CG2-CD1 4.24Å; V51-L720 HydrophobicContact CG2-CD2 4.21Å; V51-L720 HydrophobicContact CG2-CG 4.15Å; F716-L720 HydrophobicContact CD1-CD1 4.37Å; F716-L720 HydrophobicContact CD2-CD1 4.4Å; F716-L720 HydrophobicContact CE1-CD1 3.81Å; F716-L720 HydrophobicContact CE2-CD1 3.85Å; F716-L720 HydrophobicContact CZ-CD1 3.52Å; F716-L720 PolarHBondContact O-N 2.94Å; F717-L720 PolarHBondContact O-N 3.25Å; L720-S723 PolarHBondContact O-OG 3.02Å; L720-Q724 VanDerWaalsContact O-CB 3.24Å; L720-Q724 WeakPolarHBondContact O-CB 3.44Å; L720-Q724 WeakPolarHBondContact O-CG 3.4Å; L720-Q724 PolarHBondContact O-N 3.46Å
721	L	39	Very low	35.3	Very low	113 Å²	113	69.6 Å²	69.6	59%	0.592	34%	0.343	S	S	*	.	H	α-helix	trans	-73.8	-38.3	-175.5	-163.4	75.1	0	0	0	112.5	F717 S718 S725	F717-L721 WeakPolarHBondContact O-CB 3.36Å; F717-L721 PolarHBondContact O-N 3.49Å; S718-L721 PolarHBondContact O-N 3.29Å; L721-S725 VanDerWaalsContact O-CB 3.32Å; L721-S725 WeakPolarHBondContact O-CB 3.1Å; L721-S725 PolarHBondContact O-N 3.11Å; L721-S725 PolarHBondContact O-OG 2.59Å
722	E	35.4	Very low	35.2	Very low	71 Å²	71	68.1 Å²	68.1	33%	0.332	33%	0.33	S	S	.	.	H	α-helix	trans	-68.8	-50.5	171.6	-171.1	-175.1	150.3	0	0	109.4	R24 S718 Q724 S725 R726	R24-E722 IonicContact NH1-OE1 3.78Å; R24-E722 PolarHBondContact NH1-OE1 3.09Å; S718-E722 WeakPolarHBondContact O-CA 3.48Å; S718-E722 WeakPolarHBondContact O-CB 3.47Å; S718-E722 PolarHBondContact O-N 3.42Å; E722-Q724 PolarHBondContact O-N 3.43Å; E722-S725 PolarHBondContact O-N 2.94Å; E722-S725 PolarHBondContact O-OG 3.44Å; E722-R726 HydrophobicContact CG-CG 3.85Å; E722-R726 WeakPolarHBondContact O-CA 3.45Å; E722-R726 WeakPolarHBondContact O-CB 3.39Å; E722-R726 WeakPolarHBondContact O-CG 3.45Å; E722-R726 PolarHBondContact O-N 2.9Å; E722-R726 IonicContact OE1-CZ 2.72Å; E722-R726 IonicContact OE1-NH1 3.07Å; E722-R726 PolarHBondContact OE1-NH1 2.96Å
723	S	36.5	Very low	34.7	Very low	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-63.8	-28.6	178	70.5	0	0	0	0	113	Q55 L719 L720 R727	Q55-S723 VanDerWaalsContact NE2-CB 3.29Å; Q55-S723 PolarHBondContact NE2-OG 2.99Å; L719-S723 WeakPolarHBondContact O-CA 3.44Å; L719-S723 WeakPolarHBondContact O-CB 3.2Å; L719-S723 PolarHBondContact O-N 2.92Å; L719-S723 PolarHBondContact O-OG 3.47Å; L720-S723 PolarHBondContact O-OG 3.02Å; S723-R727 WeakPolarHBondContact O-CB 3.48Å; S723-R727 VanDerWaalsContact O-CD 3.23Å; S723-R727 WeakPolarHBondContact O-CD 3.41Å; S723-R727 WeakPolarHBondContact O-CG 3.02Å; S723-R727 PolarHBondContact O-N 2.94Å
724	Q	37.2	Very low	34.1	Very low	17 Å²	17	65 Å²	65	8%	0.079	31%	0.313	C	S	.	.	H	α-helix	trans	-79.7	-44	174.9	-72.3	175.9	14.1	0	0	113.2	F91 L720 E722 R727 M728	F91-Q724 VanDerWaalsContact CD1-OE1 3.31Å; F91-Q724 VanDerWaalsContact CE1-OE1 3.3Å; L720-Q724 VanDerWaalsContact O-CB 3.24Å; L720-Q724 WeakPolarHBondContact O-CB 3.44Å; L720-Q724 WeakPolarHBondContact O-CG 3.4Å; L720-Q724 PolarHBondContact O-N 3.46Å; E722-Q724 PolarHBondContact O-N 3.43Å; Q724-R727 PolarHBondContact O-N 3.2Å; Q724-M728 WeakPolarHBondContact O-CB 3.44Å; Q724-M728 PolarHBondContact O-N 2.89Å
725	S	29.6	Very low	33.6	Very low	50 Å²	50	63.7 Å²	63.7	35%	0.35	31%	0.31	S	S	.	.	I	π-helix	trans	-64.9	-39.4	173.2	53.4	0	0	0	0	111.6	L721 E722 D729 E730	L721-S725 VanDerWaalsContact O-CB 3.32Å; L721-S725 WeakPolarHBondContact O-CB 3.1Å; L721-S725 PolarHBondContact O-N 3.11Å; L721-S725 PolarHBondContact O-OG 2.59Å; E722-S725 PolarHBondContact O-N 2.94Å; E722-S725 PolarHBondContact O-OG 3.44Å; S725-D729 WeakPolarHBondContact O-CA 3.49Å; S725-D729 VanDerWaalsContact O-CB 3.28Å; S725-D729 WeakPolarHBondContact O-CB 3.49Å; S725-D729 PolarHBondContact O-N 2.96Å; S725-D729 VanDerWaalsContact O-N 3.14Å; S725-E730 PolarHBondContact O-N 2.97Å
726	R	29	Very low	32.9	Very low	90 Å²	90	68.6 Å²	68.6	34%	0.34	32%	0.323	S	S	.	.	I	π-helix	trans	-70.3	-28	173.8	-62.4	-156.5	128.3	117	18.7	114.1	E722 E730 Q731	E722-R726 HydrophobicContact CG-CG 3.85Å; E722-R726 WeakPolarHBondContact O-CA 3.45Å; E722-R726 WeakPolarHBondContact O-CB 3.39Å; E722-R726 WeakPolarHBondContact O-CG 3.45Å; E722-R726 PolarHBondContact O-N 2.9Å; E722-R726 IonicContact OE1-CZ 2.72Å; E722-R726 IonicContact OE1-NH1 3.07Å; E722-R726 PolarHBondContact OE1-NH1 2.96Å; R726-E730 HydrophobicContact CB-CG 4.44Å; R726-E730 WeakPolarHBondContact CB-OE2 3.41Å; R726-E730 VanDerWaalsContact CD-OE2 3.29Å; R726-E730 WeakPolarHBondContact CD-OE2 3.4Å; R726-E730 HydrophobicContact CG-CG 4.4Å; R726-E730 VanDerWaalsContact CG-OE2 3.23Å; R726-E730 WeakPolarHBondContact CG-OE2 3.3Å; R726-E730 IonicContact CZ-OE1 2.71Å; R726-E730 IonicContact CZ-OE2 3.93Å; R726-E730 VanDerWaalsContact NE-CD 3.29Å; R726-E730 IonicContact NE-OE1 3.12Å; R726-E730 PolarHBondContact NE-OE1 3.13Å; R726-E730 IonicContact NE-OE2 3.91Å; R726-E730 PolarHBondContact NE-OE2 3.18Å; R726-E730 IonicContact NH2-OE1 3.49Å; R726-E730 PolarHBondContact NH2-OE1 3.24Å; R726-E730 IonicContact NH2-OE2 3.03Å; R726-E730 CarbonylContact O-C 3.6Å; R726-E730 WeakPolarHBondContact O-CA 3.25Å; R726-E730 VanDerWaalsContact O-CB 3.29Å; R726-E730 WeakPolarHBondContact O-CB 3.5Å; R726-E730 PolarHBondContact O-N 3.07Å; R726-Q731 WeakPolarHBondContact O-CG 3.33Å; R726-Q731 PolarHBondContact O-N 2.91Å; R726-Q731 VanDerWaalsContact O-N 3.17Å
727	R	31.5	Very low	32.1	Very low	3 Å²	3	72.7 Å²	72.7	1%	0.011	35%	0.353	C	S	.	.	I	π-helix	trans	-99.1	-36.6	-175.8	-61.5	167.4	75.9	158.9	-4.2	113.1	Q55 Y62 S723 Q724	Q55-R727 VanDerWaalsContact OE1-CZ 3.23Å; Y62-R727 VanDerWaalsContact OH-C 3.25Å; Y62-R727 WeakPolarHBondContact OH-CB 3.42Å; Y62-R727 PolarHBondContact OH-O 2.77Å; S723-R727 WeakPolarHBondContact O-CB 3.48Å; S723-R727 VanDerWaalsContact O-CD 3.23Å; S723-R727 WeakPolarHBondContact O-CD 3.41Å; S723-R727 WeakPolarHBondContact O-CG 3.02Å; S723-R727 PolarHBondContact O-N 2.94Å; Q724-R727 PolarHBondContact O-N 3.2Å
728	M	33.3	Very low	31.4	Very low	79 Å²	79	72.5 Å²	72.5	39%	0.389	36%	0.361	S	S	.	.	I	π-helix	trans	-84.6	-31.6	174.9	-69.5	-149.7	-66.7	0	0	114.4	Q724	Q724-M728 WeakPolarHBondContact O-CB 3.44Å; Q724-M728 PolarHBondContact O-N 2.89Å
729	D	27.6	Very low	30.9	Very low	52 Å²	52	72.8 Å²	72.8	28%	0.278	37%	0.374	S	S	.	.	I	π-helix	trans	-92.4	-71.5	168	-62.5	-78.9	0	0	0	110.9	R187 S725 Q731	R187-D729 IonicContact CZ-OD1 3.29Å; R187-D729 IonicContact NH1-OD1 2.6Å; R187-D729 PolarHBondContact NH1-OD1 3.06Å; R187-D729 IonicContact NH2-OD1 2.78Å; R187-D729 PolarHBondContact NH2-OD1 2.83Å; S725-D729 WeakPolarHBondContact O-CA 3.49Å; S725-D729 VanDerWaalsContact O-CB 3.28Å; S725-D729 WeakPolarHBondContact O-CB 3.49Å; S725-D729 PolarHBondContact O-N 2.96Å; S725-D729 VanDerWaalsContact O-N 3.14Å; D729-Q731 VanDerWaalsContact C-N 3.3Å; D729-Q731 PolarHBondContact O-N 3.49Å
730	E	26.4	Very low	29.9	Very low	82 Å²	82	80.6 Å²	80.6	38%	0.383	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-16.7	-166.4	-52.3	176.5	170.2	0	0	116.1	S725 R726 C733	S725-E730 PolarHBondContact O-N 2.97Å; R726-E730 HydrophobicContact CB-CG 4.44Å; R726-E730 WeakPolarHBondContact CB-OE2 3.41Å; R726-E730 VanDerWaalsContact CD-OE2 3.29Å; R726-E730 WeakPolarHBondContact CD-OE2 3.4Å; R726-E730 HydrophobicContact CG-CG 4.4Å; R726-E730 VanDerWaalsContact CG-OE2 3.23Å; R726-E730 WeakPolarHBondContact CG-OE2 3.3Å; R726-E730 IonicContact CZ-OE1 2.71Å; R726-E730 IonicContact CZ-OE2 3.93Å; R726-E730 VanDerWaalsContact NE-CD 3.29Å; R726-E730 IonicContact NE-OE1 3.12Å; R726-E730 PolarHBondContact NE-OE1 3.13Å; R726-E730 IonicContact NE-OE2 3.91Å; R726-E730 PolarHBondContact NE-OE2 3.18Å; R726-E730 IonicContact NH2-OE1 3.49Å; R726-E730 PolarHBondContact NH2-OE1 3.24Å; R726-E730 IonicContact NH2-OE2 3.03Å; R726-E730 CarbonylContact O-C 3.6Å; R726-E730 WeakPolarHBondContact O-CA 3.25Å; R726-E730 VanDerWaalsContact O-CB 3.29Å; R726-E730 WeakPolarHBondContact O-CB 3.5Å; R726-E730 PolarHBondContact O-N 3.07Å; E730-C733 PolarHBondContact O-SG 3.3Å
731	Q	32.5	Very low	29.2	Very low	24 Å²	24	82.4 Å²	82.4	11%	0.112	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.5	44.3	-171	-66.5	-161.7	-19	0	0	116.9	R24 Y62 R726 D729 C733	R24-Q731 PolarHBondContact O-NE2 3.47Å; Y62-Q731 WeakPolarHBondContact CE1-O 3.42Å; R726-Q731 WeakPolarHBondContact O-CG 3.33Å; R726-Q731 PolarHBondContact O-N 2.91Å; R726-Q731 VanDerWaalsContact O-N 3.17Å; D729-Q731 VanDerWaalsContact C-N 3.3Å; D729-Q731 PolarHBondContact O-N 3.49Å; Q731-C733 PolarHBondContact O-N 3.2Å
732	R	37.8	Very low	28.4	Very low	65 Å²	65	83.2 Å²	83.2	25%	0.245	45%	0.445	C	S	.	.			trans	-70.6	28.2	156.3	-79	161.4	165.3	-89.8	-5.9	113.8	E785 F788 F789	R732-E785 HydrophobicContact CB-CB 4.24Å; R732-E785 VanDerWaalsContact CB-O 3.29Å; R732-E785 WeakPolarHBondContact CB-O 3.38Å; R732-F788 HydrophobicContact CB-CB 3.92Å; R732-F788 HydrophobicContact CG-CB 4.3Å; R732-F788 WeakPolarHBondContact O-CB 3.45Å; R732-F789 VanDerWaalsContact NH1-CG 3.29Å; R732-F789 VanDerWaalsContact NH1-CZ 3.33Å; R732-F789 VanDerWaalsContact NH2-CZ 3.26Å
733	C	24.7	Very low	28.1	Very low	29 Å²	29	85.2 Å²	85.2	20%	0.196	47%	0.465	C	S	.	.			trans	-129.7	29.4	-141.7	-61.4	0	0	0	0	115.5	E730 Q731 N784	E730-C733 PolarHBondContact O-SG 3.3Å; Q731-C733 PolarHBondContact O-N 3.2Å; C733-N784 HydrophobicContact CB-CB 4.02Å; C733-N784 VanDerWaalsContact SG-CB 3.59Å
734	Y	22.3	Very low	27.5	Very low	139 Å²	139	90.8 Å²	90.8	55%	0.545	50%	0.501	S	S	.	.			trans	-143.2	106	171	-82.9	-69.6	0	0	0	113.6	E25 W28	E25-Y734 PolarHBondContact O-OH 3.26Å; W28-Y734 HydrophobicContact CZ2-CD2 4.1Å; W28-Y734 AromaticContact NE1-CD2 3.86Å
735	L	23.4	Very low	26.9	Very low	110 Å²	110	97.7 Å²	97.7	58%	0.576	54%	0.537	S	S	*	.			trans	-136.1	113.4	154.4	-126	167.2	0	0	0	109.6	T737 L791	L735-T737 PolarHBondContact O-N 3.31Å; L735-L791 HydrophobicContact CD1-CD2 3.43Å; L735-L791 VanDerWaalsContact CD1-CD2 3.43Å
736	R	23.9	Very low	26.8	Very low	215 Å²	215	103.6 Å²	103.6	81%	0.811	56%	0.559	S	S	*	*			trans	-77.3	113.3	-177.4	-168.7	-176.1	-161.3	176.1	6.4	108.6	T738	R736-T738 HydrophobicContact CB-CG2 4.5Å; R736-T738 HydrophobicContact CG-CG2 4.04Å; R736-T738 PolarHBondContact O-N 2.99Å
737	T	23.4	Very low	26.5	Very low	144 Å²	144	104.1 Å²	104.1	88%	0.883	58%	0.576	S	S	*	*			trans	-67.4	81.7	171.3	38	0	0	0	0	110.4	L735 G739	L735-T737 PolarHBondContact O-N 3.31Å; T737-G739 PolarHBondContact O-N 3.05Å
738	T	25.7	Very low	26.4	Very low	110 Å²	110	111.4 Å²	111.4	68%	0.675	61%	0.613	S	S	*	*			trans	-77.1	63.2	172.1	54.3	0	0	0	0	110.9	R736	R736-T738 HydrophobicContact CB-CG2 4.5Å; R736-T738 HydrophobicContact CG-CG2 4.04Å; R736-T738 PolarHBondContact O-N 2.99Å
739	G	25.3	Very low	26	Very low	68 Å²	68	116.3 Å²	116.3	70%	0.701	64%	0.635	S	S	*	*			trans	-59.3	133.1	153.8	0	0	0	0	0	108.1	T737 G741	T737-G739 PolarHBondContact O-N 3.05Å; G739-G741 PolarHBondContact O-N 3.05Å
740	Q	23.8	Very low	25.7	Very low	201 Å²	201	120.4 Å²	120.4	94%	0.939	66%	0.663	S	S	*	*			trans	-76.9	68.3	-179.6	-71.3	-169.5	-10.3	0	0	111.3	T742	Q740-T742 PolarHBondContact O-N 3.43Å
741	G	24.9	Very low	25.9	Very low	69 Å²	69	122.1 Å²	122.1	71%	0.711	68%	0.683	S	S	*	*			trans	-75.3	110.8	162.2	0	0	0	0	0	109.5	G739	G739-G741 PolarHBondContact O-N 3.05Å
742	T	23	Very low	25.5	Very low	130 Å²	130	128.6 Å²	128.6	80%	0.798	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-65	125.4	172	36.7	0	0	0	0	110	Q740	Q740-T742 PolarHBondContact O-N 3.43Å
743	P	27.7	Very low	25.1	Very low	113 Å²	113	129.7 Å²	129.7	73%	0.734	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-68.4	138.7	170.9	29	-33.1	0	0	0	109.3
744	P	24.8	Very low	25.2	Very low	117 Å²	117	137 Å²	137	76%	0.76	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-65.2	143.9	176.2	27.9	-34.3	0	0	0	110.6	Q746	P744-Q746 PolarHBondContact O-N 3.31Å; P744-Q746 VanDerWaalsContact O-N 3.11Å
745	I	23.6	Very low	25.5	Very low	162 Å²	162	138.1 Å²	138.1	83%	0.831	78%	0.784	S	S	*	*			trans	-67.2	110.2	177.1	-61.7	170.2	0	0	0	108.8
746	Q	28.5	Very low	25.5	Very low	174 Å²	174	136.7 Å²	136.7	81%	0.813	78%	0.783	S	S	*	*			trans	-102.5	95.6	158	-76	-166.1	-12.1	0	0	109.4	P744 I748	P744-Q746 PolarHBondContact O-N 3.31Å; P744-Q746 VanDerWaalsContact O-N 3.11Å; Q746-I748 PolarHBondContact O-N 3.06Å
747	S	22	Very low	25.7	Very low	100 Å²	100	133.1 Å²	133.1	70%	0.699	78%	0.78	S	S	*	*			trans	-67	119	160.9	49.5	0	0	0	0	109.5
748	I	30.1	Very low	25.7	Very low	156 Å²	156	133.2 Å²	133.2	80%	0.8	78%	0.775	S	S	*	*			trans	-120.9	127.8	156.4	-66.1	178.6	0	0	0	106.8	Q746	Q746-I748 PolarHBondContact O-N 3.06Å
749	E	25.4	Very low	25.8	Very low	182 Å²	182	135 Å²	135	85%	0.85	79%	0.785	S	S	*	*			trans	-82.7	159.7	-168.4	-61.2	177.8	120.3	0	0	112.6
750	T	21.6	Very low	25.6	Very low	139 Å²	139	139.9 Å²	139.9	85%	0.853	79%	0.79	S	S	*	*			trans	-72.7	126.6	173.9	50.5	0	0	0	0	111.8
751	S	30.4	Very low	25.7	Very low	117 Å²	117	137.6 Å²	137.6	82%	0.818	78%	0.783	S	S	*	*			trans	-143	148.5	156.3	59.1	0	0	0	0	110.5
752	N	24.2	Very low	25.6	Very low	160 Å²	160	138.8 Å²	138.8	86%	0.856	78%	0.78	S	S	*	*			trans	-109.8	150.2	-166.5	-47.7	-63	0	0	0	111.9
753	A	29.7	Very low	25.7	Very low	89 Å²	89	138.3 Å²	138.3	74%	0.736	78%	0.783	S	S	*	*				174.6	136.2	128.4	0	0	0	0	0	113.5
754	E	25.8	Very low	25.6	Very low	183 Å²	183	136.9 Å²	136.9	86%	0.855	79%	0.789	S	S	*	*				17.2	145.3	124.3	-67.2	157.5	-165.1	0	0	119.4
755	E	27.8	Very low	25.7	Very low	162 Å²	162	139 Å²	139	76%	0.757	79%	0.793	S	S	*	*			cis	-162.3	152.5	11.5	-128.5	-155.6	128.8	0	0	114.3
756	S	25.2	Very low	26.1	Very low	79 Å²	79	136.1 Å²	136.1	55%	0.552	79%	0.785	S	S	*	*			trans	43.9	126.9	136.2	-61.7	0	0	0	0	125.8
757	N	26.9	Very low	25.9	Very low	140 Å²	140	138.4 Å²	138.4	75%	0.749	79%	0.786	S	S	*	*			trans	94.1	116.2	136.4	-68.4	-36.9	0	0	0	125.2
758	N	23.7	Very low	26.1	Very low	146 Å²	146	141.5 Å²	141.5	78%	0.781	79%	0.79	S	S	*	*			trans	48.7	127	133.3	-64.8	-24.7	0	0	0	123.6
759	V	26.8	Very low	26	Very low	148 Å²	148	140.3 Å²	140.3	90%	0.897	79%	0.789	S	S	*	*				-175.9	163.8	102.2	149	0	0	0	0	110.5
760	Q	22.9	Very low	26.3	Very low	170 Å²	170	136.6 Å²	136.6	79%	0.794	78%	0.781	S	S	*	*			trans	-130	135.7	-167.4	-180	-173.8	17.5	0	0	110.8
761	L	25.3	Very low	26.4	Very low	154 Å²	154	138 Å²	138	81%	0.806	78%	0.784	S	S	*	*			trans	157.9	126.3	140.1	-86.7	162.3	0	0	0	117.3
762	S	23.3	Very low	26.3	Very low	93 Å²	93	142.2 Å²	142.2	65%	0.65	78%	0.783	S	S	*	*			trans	48.4	118	139.8	67.1	0	0	0	0	125.2
763	S	24.4	Very low	26.4	Very low	121 Å²	121	141.5 Å²	141.5	85%	0.846	78%	0.779	S	S	*	*				69.5	120.8	129.4	66.7	0	0	0	0	122.7
764	G	26	Very low	26.3	Very low	83 Å²	83	143.8 Å²	143.8	86%	0.856	78%	0.779	S	S	*	*			trans	174.1	95.5	162.6	0	0	0	0	0	114.3
765	N	26.1	Very low	26.3	Very low	160 Å²	160	139.1 Å²	139.1	86%	0.856	77%	0.767	S	S	*	*			trans	-89.7	170.7	172.4	-129.5	-1.8	0	0	0	110
766	P	31.7	Very low	26.4	Very low	102 Å²	102	136.1 Å²	136.1	66%	0.662	76%	0.764	S	S	*	*			cis	-135.4	171.3	-11.3	41.8	-26.7	0	0	0	114.9
767	R	23.9	Very low	26.5	Very low	223 Å²	223	138.5 Å²	138.5	84%	0.842	77%	0.769	S	S	*	*			trans	172.8	153.4	133.3	-102.6	171.6	170.9	-174.8	-3	115.9
768	H	26.5	Very low	26.5	Very low	165 Å²	165	142.1 Å²	142.1	76%	0.764	77%	0.773	S	S	*	*			trans	38.2	105.9	156.1	-70.9	-73.7	0	0	0	120.2
769	T	29.4	Very low	26.7	Very low	130 Å²	130	142.2 Å²	142.2	80%	0.798	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-99.2	150	133.9	49.2	0	0	0	0	108.7
770	P	31.2	Very low	26.8	Very low	104 Å²	104	142.3 Å²	142.3	68%	0.675	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-78.7	156.8	-179.3	33.1	-35.5	0	0	0	112.4	Y772	P770-Y772 PolarHBondContact O-N 3.08Å
771	D	23.4	Very low	26.9	Very low	170 Å²	170	141.7 Å²	141.7	91%	0.909	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-64.6	123.1	168.1	-61.4	-73.9	0	0	0	110.3
772	Y	29	Very low	27.1	Very low	204 Å²	204	137.4 Å²	137.4	80%	0.8	76%	0.758	S	S	*	*			trans	-108.2	131.1	162	-104.7	-88.7	0	0	0	108	P770 N774	P770-Y772 PolarHBondContact O-N 3.08Å; Y772-N774 PolarHBondContact O-N 3.2Å
773	D	25.8	Very low	27.4	Very low	145 Å²	145	137.2 Å²	137.2	78%	0.775	75%	0.752	S	S	*	*			trans	-63	96.6	-176.9	-85.1	-64.3	0	0	0	112.5	S775	D773-S775 PolarHBondContact O-N 3.22Å
774	N	27.1	Very low	27.8	Very low	137 Å²	137	136 Å²	136	73%	0.733	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	42.6	169.6	-88.6	-50.6	0	0	0	112.3	Y772	Y772-N774 PolarHBondContact O-N 3.2Å
775	S	26.7	Very low	28.1	Very low	86 Å²	86	135.7 Å²	135.7	60%	0.601	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	-21.3	177.3	58.8	0	0	0	0	113.2	D773	D773-S775 PolarHBondContact O-N 3.22Å
776	S	29	Very low	28.6	Very low	99 Å²	99	129.2 Å²	129.2	69%	0.692	68%	0.677	S	S	*	*	S	Bend	trans	-87.3	-23.6	175.1	-79	0	0	0	0	115.1	R778	S776-R778 PolarHBondContact O-N 3.01Å; S776-R778 VanDerWaalsContact O-N 3.16Å
777	L	27.8	Very low	28.6	Very low	128 Å²	128	127.1 Å²	127.1	67%	0.67	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	3.8	-170	-147.1	74.9	0	0	0	114.8
778	R	26.6	Very low	28.9	Very low	216 Å²	216	119.4 Å²	119.4	82%	0.815	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	-7.4	-174.2	-155.5	169	-176.3	174	0.7	114.9	S776	S776-R778 PolarHBondContact O-N 3.01Å; S776-R778 VanDerWaalsContact O-N 3.16Å
779	N	28.2	Very low	29.3	Very low	149 Å²	149	113.9 Å²	113.9	80%	0.797	62%	0.615	S	S	*	*	S	Bend	trans	-115.2	20.6	-173.1	-69.8	0.7	0	0	0	114.2
780	Q	27.9	Very low	29.6	Very low	149 Å²	149	109.5 Å²	109.5	70%	0.696	59%	0.587	S	S	*	*			trans	-124.3	13.4	-178.6	-69.5	-173.4	-21.8	0	0	114.3	G782	Q780-G782 PolarHBondContact O-N 3Å
781	I	26.6	Very low	29.6	Very low	158 Å²	158	108 Å²	108	81%	0.81	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97	70.5	-178.2	-47.5	178.2	0	0	0	109.3
782	G	28.1	Very low	30	Very low	64 Å²	64	102.2 Å²	102.2	66%	0.66	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	179.9	16.3	-177.9	0	0	0	0	0	117.9	Q780	Q780-G782 PolarHBondContact O-N 3Å
783	T	30.3	Very low	30.1	Very low	88 Å²	88	94.8 Å²	94.8	54%	0.54	51%	0.514	S	S	.	.	S	Bend	trans	-104	-12.5	-167.6	51.1	0	0	0	0	116
784	N	32.1	Very low	30.2	Very low	95 Å²	95	89.6 Å²	89.6	51%	0.508	50%	0.495	S	S	.	.	S	Bend	trans	-111.4	-25.5	-158.3	-61.3	-6.3	0	0	0	115.2	C733 E786 A787	C733-N784 HydrophobicContact CB-CB 4.02Å; C733-N784 VanDerWaalsContact SG-CB 3.59Å; N784-E786 VanDerWaalsContact C-N 3.31Å; N784-E786 PolarHBondContact O-N 3.06Å; N784-A787 WeakPolarHBondContact O-CB 3.43Å; N784-A787 PolarHBondContact O-N 3.42Å
785	E	32.4	Very low	30.4	Very low	77 Å²	77	86.7 Å²	86.7	36%	0.36	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-29.1	-173.4	-66.8	172.1	-151.6	0	0	113.7	R732 A787	R732-E785 HydrophobicContact CB-CB 4.24Å; R732-E785 VanDerWaalsContact CB-O 3.29Å; R732-E785 WeakPolarHBondContact CB-O 3.38Å; E785-A787 PolarHBondContact O-N 3.36Å
786	E	36.2	Very low	30.4	Very low	25 Å²	25	85.7 Å²	85.7	12%	0.117	47%	0.468	C	S	.	.	H	α-helix	trans	-65	-29.9	178.9	-66.7	-100.6	101.7	0	0	110.9	T223 A224 R227 N784 F788 F789 D790	T223-E786 VanDerWaalsContact C-OE2 3.25Å; T223-E786 WeakPolarHBondContact CB-OE2 3.02Å; T223-E786 HydrophobicContact CG2-CB 3.82Å; T223-E786 HydrophobicContact CG2-CG 3.9Å; T223-E786 VanDerWaalsContact CG2-OE2 3.3Å; T223-E786 WeakPolarHBondContact CG2-OE2 3.06Å; A224-E786 PolarHBondContact N-OE2 3.07Å; R227-E786 IonicContact CZ-OE1 3.74Å; R227-E786 IonicContact CZ-OE2 2.76Å; R227-E786 IonicContact NH1-OE1 3.7Å; R227-E786 PolarHBondContact NH1-OE1 3.3Å; R227-E786 IonicContact NH1-OE2 3.13Å; R227-E786 PolarHBondContact NH1-OE2 3.44Å; R227-E786 IonicContact NH2-OE1 2.75Å; R227-E786 IonicContact NH2-OE2 2.96Å; R227-E786 PolarHBondContact NH2-OE2 2.95Å; N784-E786 VanDerWaalsContact C-N 3.31Å; N784-E786 PolarHBondContact O-N 3.06Å; E786-F788 VanDerWaalsContact C-N 3.34Å; E786-F788 PolarHBondContact O-N 3.17Å; E786-F789 CarbonylContact O-C 3.48Å; E786-F789 WeakPolarHBondContact O-CA 3.32Å; E786-F789 WeakPolarHBondContact O-CB 3.41Å; E786-F789 PolarHBondContact O-N 3.37Å; E786-D790 PolarHBondContact O-N 3.23Å
787	A	32	Very low	30.4	Very low	58 Å²	58	81.4 Å²	81.4	48%	0.479	44%	0.439	S	S	.	.	H	α-helix	trans	-62.8	-29.8	-172	0	0	0	0	0	114.8	N784 E785 D790 L791	N784-A787 WeakPolarHBondContact O-CB 3.43Å; N784-A787 PolarHBondContact O-N 3.42Å; E785-A787 PolarHBondContact O-N 3.36Å; A787-D790 CarbonylContact O-C 3.59Å; A787-L791 WeakPolarHBondContact O-CB 3.38Å; A787-L791 PolarHBondContact O-N 3.41Å
788	F	30.8	Very low	30.4	Very low	60 Å²	60	77.6 Å²	77.6	26%	0.263	43%	0.426	S	S	.	.	H	α-helix	trans	-74	-31.8	171.4	-177.7	-97.8	0	0	0	111.9	M102 R732 E786 I792	M102-F788 HydrophobicContact CE-CZ 4.33Å; R732-F788 HydrophobicContact CB-CB 3.92Å; R732-F788 HydrophobicContact CG-CB 4.3Å; R732-F788 WeakPolarHBondContact O-CB 3.45Å; E786-F788 VanDerWaalsContact C-N 3.34Å; E786-F788 PolarHBondContact O-N 3.17Å; F788-I792 HydrophobicContact CD1-CD1 3.94Å; F788-I792 HydrophobicContact CE1-CD1 3.43Å; F788-I792 VanDerWaalsContact CE1-CD1 3.43Å; F788-I792 HydrophobicContact CE1-CG1 4.47Å; F788-I792 HydrophobicContact CZ-CD1 3.81Å; F788-I792 WeakPolarHBondContact O-CG1 3.43Å; F788-I792 PolarHBondContact O-N 3.43Å
789	F	35.7	Very low	30.4	Very low	50 Å²	50	74.1 Å²	74.1	22%	0.219	41%	0.413	C	S	.	.	H	α-helix	trans	-76.7	-31.8	169.8	-86.3	-38.4	0	0	0	112.6	R732 E786 L791 I792 E793	R732-F789 VanDerWaalsContact NH1-CG 3.29Å; R732-F789 VanDerWaalsContact NH1-CZ 3.33Å; R732-F789 VanDerWaalsContact NH2-CZ 3.26Å; E786-F789 CarbonylContact O-C 3.48Å; E786-F789 WeakPolarHBondContact O-CA 3.32Å; E786-F789 WeakPolarHBondContact O-CB 3.41Å; E786-F789 PolarHBondContact O-N 3.37Å; F789-L791 VanDerWaalsContact C-N 3.31Å; F789-I792 PolarHBondContact O-N 3.15Å; F789-E793 WeakPolarHBondContact O-CA 3.37Å; F789-E793 VanDerWaalsContact O-CB 3.23Å; F789-E793 WeakPolarHBondContact O-CB 3.36Å; F789-E793 PolarHBondContact O-N 3.22Å
790	D	34.8	Very low	30.5	Very low	37 Å²	37	70.3 Å²	70.3	20%	0.198	39%	0.391	C	S	.	.	H	α-helix	trans	-76.5	-15.4	169.9	-67.7	-56.5	0	0	0	112.1	R226 R227 E786 A787 G794	R226-D790 IonicContact CZ-OD1 3.75Å; R226-D790 IonicContact NH1-OD1 3.01Å; R226-D790 PolarHBondContact NH1-OD1 2.93Å; R226-D790 VanDerWaalsContact NH1-OD1 3.09Å; R226-D790 IonicContact NH2-OD1 3.47Å; R226-D790 PolarHBondContact NH2-OD1 3.2Å; R226-D790 IonicContact NH2-OD2 3.87Å; R226-D790 PolarHBondContact NH2-OD2 2.99Å; R226-D790 VanDerWaalsContact NH2-OD2 3.15Å; R227-D790 IonicContact CZ-OD1 3.21Å; R227-D790 IonicContact NE-OD1 2.75Å; R227-D790 IonicContact NH2-OD1 3.01Å; R227-D790 PolarHBondContact NH2-OD1 3.29Å; R227-D790 IonicContact NH2-OD2 3.84Å; R227-D790 PolarHBondContact NH2-OD2 3.15Å; E786-D790 PolarHBondContact O-N 3.23Å; A787-D790 CarbonylContact O-C 3.59Å; D790-G794 WeakPolarHBondContact O-CA 3.49Å; D790-G794 PolarHBondContact O-N 3.4Å
791	L	32.3	Very low	30.8	Very low	72 Å²	72	66.7 Å²	66.7	38%	0.377	38%	0.376	S	S	.	.	H	α-helix	trans	-77.2	-42.2	162.9	-176.3	73.5	0	0	0	110.8	L735 A787 F789 G794 V795	L735-L791 HydrophobicContact CD1-CD2 3.43Å; L735-L791 VanDerWaalsContact CD1-CD2 3.43Å; A787-L791 WeakPolarHBondContact O-CB 3.38Å; A787-L791 PolarHBondContact O-N 3.41Å; F789-L791 VanDerWaalsContact C-N 3.31Å; L791-G794 PolarHBondContact O-N 2.96Å; L791-V795 HydrophobicContact CD1-CG2 4.22Å; L791-V795 HydrophobicContact CG-CG2 4.46Å; L791-V795 VanDerWaalsContact O-CB 3.24Å; L791-V795 WeakPolarHBondContact O-CB 3.44Å; L791-V795 VanDerWaalsContact O-CG2 3.27Å; L791-V795 WeakPolarHBondContact O-CG2 3.48Å; L791-V795 PolarHBondContact O-N 3.07Å
792	I	31.3	Very low	30.9	Very low	50 Å²	50	63.8 Å²	63.8	26%	0.256	36%	0.362	S	S	.	.	H	α-helix	trans	-71	-41.3	177.5	-71.7	177.3	0	0	0	111.1	F788 F789 Q796	F788-I792 HydrophobicContact CD1-CD1 3.94Å; F788-I792 HydrophobicContact CE1-CD1 3.43Å; F788-I792 VanDerWaalsContact CE1-CD1 3.43Å; F788-I792 HydrophobicContact CE1-CG1 4.47Å; F788-I792 HydrophobicContact CZ-CD1 3.81Å; F788-I792 WeakPolarHBondContact O-CG1 3.43Å; F788-I792 PolarHBondContact O-N 3.43Å; F789-I792 PolarHBondContact O-N 3.15Å; I792-Q796 VanDerWaalsContact CG2-NE2 3.34Å; I792-Q796 WeakPolarHBondContact O-CA 3.09Å; I792-Q796 WeakPolarHBondContact O-CB 3.24Å; I792-Q796 WeakPolarHBondContact O-CG 3.42Å; I792-Q796 PolarHBondContact O-N 2.85Å
793	E	31.8	Very low	31	Very low	47 Å²	47	64.4 Å²	64.4	22%	0.22	35%	0.348	C	S	.	.	H	α-helix	trans	-80.4	-12	170.8	-70.4	-168.1	151	0	0	113.3	N194 R227 F789 G797	N194-E793 PolarHBondContact ND2-OE1 3.36Å; R227-E793 WeakPolarHBondContact CD-OE2 3.44Å; R227-E793 IonicContact CZ-OE2 2.75Å; R227-E793 IonicContact NE-OE2 3.3Å; R227-E793 PolarHBondContact NE-OE2 3.08Å; F789-E793 WeakPolarHBondContact O-CA 3.37Å; F789-E793 VanDerWaalsContact O-CB 3.23Å; F789-E793 WeakPolarHBondContact O-CB 3.36Å; F789-E793 PolarHBondContact O-N 3.22Å; E793-G797 WeakPolarHBondContact O-CA 3.29Å; E793-G797 PolarHBondContact O-N 2.68Å
794	G	27.7	Very low	31	Very low	37 Å²	37	64.5 Å²	64.5	38%	0.381	34%	0.339	S	S	.	.	H	α-helix	trans	-88.9	-37.9	172.1	0	0	0	0	0	112	D790 L791 G797 A798	D790-G794 WeakPolarHBondContact O-CA 3.49Å; D790-G794 PolarHBondContact O-N 3.4Å; L791-G794 PolarHBondContact O-N 2.96Å; G794-G797 PolarHBondContact O-N 3.04Å; G794-A798 VanDerWaalsContact O-CB 3.29Å; G794-A798 WeakPolarHBondContact O-CB 3.39Å; G794-A798 PolarHBondContact O-N 3.01Å
795	V	29.4	Very low	30.7	Very low	76 Å²	76	62.1 Å²	62.1	46%	0.461	33%	0.332	S	S	.	.	H	α-helix	trans	-74.3	-33.2	166.7	173.7	0	0	0	0	110.7	L791 G797 R799	L791-V795 HydrophobicContact CD1-CG2 4.22Å; L791-V795 HydrophobicContact CG-CG2 4.46Å; L791-V795 VanDerWaalsContact O-CB 3.24Å; L791-V795 WeakPolarHBondContact O-CB 3.44Å; L791-V795 VanDerWaalsContact O-CG2 3.27Å; L791-V795 WeakPolarHBondContact O-CG2 3.48Å; L791-V795 PolarHBondContact O-N 3.07Å; V795-G797 VanDerWaalsContact C-N 3.35Å; V795-R799 VanDerWaalsContact O-CB 3.26Å; V795-R799 WeakPolarHBondContact O-CB 3.3Å; V795-R799 WeakPolarHBondContact O-CG 3.48Å; V795-R799 PolarHBondContact O-N 3.1Å
796	Q	28.5	Very low	30.4	Very low	65 Å²	65	63.2 Å²	63.2	30%	0.304	34%	0.34	S	S	.	.	H	α-helix	trans	-80.5	-16.8	167.5	-66.8	168.3	26.2	0	0	112.6	I792 R799 M800	I792-Q796 VanDerWaalsContact CG2-NE2 3.34Å; I792-Q796 WeakPolarHBondContact O-CA 3.09Å; I792-Q796 WeakPolarHBondContact O-CB 3.24Å; I792-Q796 WeakPolarHBondContact O-CG 3.42Å; I792-Q796 PolarHBondContact O-N 2.85Å; Q796-R799 CarbonylContact O-C 3.48Å; Q796-M800 WeakPolarHBondContact O-CA 3.49Å; Q796-M800 WeakPolarHBondContact O-CB 3.21Å; Q796-M800 PolarHBondContact O-N 2.69Å
797	G	27.6	Very low	30	Very low	8 Å²	8	67.2 Å²	67.2	8%	0.082	36%	0.362	C	S	.	.	H	α-helix	trans	-78.8	-45.7	172.8	0	0	0	0	0	110.3	E793 G794 V795 M800 N801	E793-G797 WeakPolarHBondContact O-CA 3.29Å; E793-G797 PolarHBondContact O-N 2.68Å; G794-G797 PolarHBondContact O-N 3.04Å; V795-G797 VanDerWaalsContact C-N 3.35Å; G797-M800 PolarHBondContact O-N 3.01Å; G797-N801 PolarHBondContact O-N 3.24Å; G797-N801 PolarHBondContact O-ND2 2.83Å
798	A	28	Very low	29.6	Very low	48 Å²	48	69.1 Å²	69.1	40%	0.397	37%	0.372	S	S	.	.	H	α-helix	trans	-51	-59.2	160.6	0	0	0	0	0	109.2	G794 M800 N801 D802	G794-A798 VanDerWaalsContact O-CB 3.29Å; G794-A798 WeakPolarHBondContact O-CB 3.39Å; G794-A798 PolarHBondContact O-N 3.01Å; A798-M800 PolarHBondContact O-N 2.89Å; A798-M800 VanDerWaalsContact O-N 3.09Å; A798-N801 CarbonylContact O-C 3.46Å; A798-N801 WeakPolarHBondContact O-CA 3.27Å; A798-N801 WeakPolarHBondContact O-CB 3.46Å; A798-N801 PolarHBondContact O-N 3.03Å; A798-D802 VanDerWaalsContact C-OD2 3.23Å; A798-D802 PolarHBondContact O-N 3.43Å
799	R	27.3	Very low	29.4	Very low	144 Å²	144	71.1 Å²	71.1	54%	0.543	39%	0.389	S	S	.	.	H	α-helix	trans	-67.2	-13.1	-178.6	-66.3	171.7	80.6	176.7	6.9	116.2	V795 Q796 D802 Q803	V795-R799 VanDerWaalsContact O-CB 3.26Å; V795-R799 WeakPolarHBondContact O-CB 3.3Å; V795-R799 WeakPolarHBondContact O-CG 3.48Å; V795-R799 PolarHBondContact O-N 3.1Å; Q796-R799 CarbonylContact O-C 3.48Å; R799-D802 WeakPolarHBondContact CA-OD2 3.36Å; R799-D802 PolarHBondContact N-OD2 3.45Å; R799-D802 CarbonylContact O-C 3.51Å; R799-Q803 WeakPolarHBondContact O-CG 3.46Å; R799-Q803 PolarHBondContact O-N 3.17Å
800	M	31.1	Very low	28.9	Very low	68 Å²	68	77 Å²	77	34%	0.335	41%	0.414	S	S	.	.	H	α-helix	trans	-92.8	-13.3	170.1	-174.1	171.1	69.2	0	0	112.1	Y197 Q796 G797 A798	Y197-M800 HydrophobicContact CE1-SD 3.94Å; Q796-M800 WeakPolarHBondContact O-CA 3.49Å; Q796-M800 WeakPolarHBondContact O-CB 3.21Å; Q796-M800 PolarHBondContact O-N 2.69Å; G797-M800 PolarHBondContact O-N 3.01Å; A798-M800 PolarHBondContact O-N 2.89Å; A798-M800 VanDerWaalsContact O-N 3.09Å
801	N	33.6	Very low	28.5	Very low	73 Å²	73	78.8 Å²	78.8	39%	0.39	43%	0.428	S	S	.	.	H	α-helix	trans	-89.8	-29.2	161.5	-66.6	-68.4	0	0	0	111.3	R307 G797 A798 Q803	R307-N801 VanDerWaalsContact CZ-CG 3.47Å; R307-N801 VanDerWaalsContact NH1-CB 3.34Å; R307-N801 PolarHBondContact NH1-ND2 3.32Å; R307-N801 PolarHBondContact NH1-OD1 3.17Å; R307-N801 PolarHBondContact NH2-OD1 3.27Å; G797-N801 PolarHBondContact O-N 3.24Å; G797-N801 PolarHBondContact O-ND2 2.83Å; A798-N801 CarbonylContact O-C 3.46Å; A798-N801 WeakPolarHBondContact O-CA 3.27Å; A798-N801 WeakPolarHBondContact O-CB 3.46Å; A798-N801 PolarHBondContact O-N 3.03Å; N801-Q803 PolarHBondContact O-N 3.09Å
802	D	27.8	Very low	28.2	Very low	97 Å²	97	77.1 Å²	77.1	52%	0.519	43%	0.428	S	S	.	.	S	Bend	trans	-75	0.8	165.3	-44.3	-41.5	0	0	0	111.9	A798 R799 R804	A798-D802 VanDerWaalsContact C-OD2 3.23Å; A798-D802 PolarHBondContact O-N 3.43Å; R799-D802 WeakPolarHBondContact CA-OD2 3.36Å; R799-D802 PolarHBondContact N-OD2 3.45Å; R799-D802 CarbonylContact O-C 3.51Å; D802-R804 PolarHBondContact O-N 2.89Å
803	Q	30.6	Very low	28.1	Very low	77 Å²	77	78.5 Å²	78.5	36%	0.36	44%	0.436	S	S	.	.			trans	-69.9	58.5	159	-80.4	171.8	29.9	0	0	110.3	L148 R799 N801 A805	L148-Q803 HydrophobicContact CD1-CG 4.05Å; L148-Q803 HydrophobicContact CD2-CG 4.22Å; L148-Q803 HydrophobicContact CG-CG 4.47Å; R799-Q803 WeakPolarHBondContact O-CG 3.46Å; R799-Q803 PolarHBondContact O-N 3.17Å; N801-Q803 PolarHBondContact O-N 3.09Å; Q803-A805 PolarHBondContact O-N 3.39Å
804	R	30.5	Very low	28	Very low	90 Å²	90	84.3 Å²	84.3	34%	0.34	46%	0.456	S	S	.	.			trans	-63.7	74.5	144.5	-64.9	-171.3	-173.3	-99.6	11.6	107.7	D341 G344 D802	D341-R804 IonicContact OD1-NH2 3.24Å; D341-R804 IonicContact OD2-CZ 3.09Å; D341-R804 IonicContact OD2-NH2 3.08Å; D341-R804 PolarHBondContact OD2-NH2 3.35Å; G344-R804 VanDerWaalsContact CA-NH2 3.33Å; G344-R804 VanDerWaalsContact N-NH2 3.15Å; D802-R804 PolarHBondContact O-N 2.89Å
805	A	26.5	Very low	28	Very low	45 Å²	45	84.8 Å²	84.8	37%	0.372	45%	0.453	S	S	.	.			trans	-49.6	141.8	145.6	0	0	0	0	0	107.2	Q803 L807	Q803-A805 PolarHBondContact O-N 3.39Å; A805-L807 PolarHBondContact O-N 3.02Å
806	N	24.2	Very low	28	Very low	100 Å²	100	84.4 Å²	84.4	54%	0.535	46%	0.464	S	S	.	.			trans	-51.3	142.1	-166.4	-133.3	-55	0	0	0	111.9	D150 S808 V809	D150-N806 PolarHBondContact O-ND2 3.35Å; N806-S808 PolarHBondContact O-N 2.95Å; N806-V809 PolarHBondContact O-N 3.07Å
807	L	28	Very low	28	Very low	109 Å²	109	85 Å²	85	57%	0.571	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	27.9	-161.6	-123.6	163	0	0	0	114.8	T343 T347 A805	T343-L807 HydrophobicContact CG2-CD1 3.97Å; T347-L807 HydrophobicContact CG2-CD1 3.45Å; T347-L807 VanDerWaalsContact CG2-CD1 3.45Å; A805-L807 PolarHBondContact O-N 3.02Å
808	S	24.5	Very low	28	Very low	98 Å²	98	87.9 Å²	87.9	69%	0.685	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.3	-13.6	177.7	50.8	0	0	0	0	113.7	N806	N806-S808 PolarHBondContact O-N 2.95Å
809	V	25.6	Very low	27.9	Very low	102 Å²	102	93.4 Å²	93.4	62%	0.618	53%	0.526	S	S	*	.			trans	-129.1	62.1	-171.5	-161.4	0	0	0	0	113.5	N806	N806-V809 PolarHBondContact O-N 3.07Å
810	F	25.4	Very low	27.7	Very low	173 Å²	173	94.6 Å²	94.6	76%	0.759	54%	0.538	S	S	*	.			trans	-143.1	94.3	160.6	-107.8	-74.3	0	0	0	111.1	G812	F810-G812 PolarHBondContact O-N 3Å
811	P	27.4	Very low	27.4	Very low	76 Å²	76	98.1 Å²	98.1	49%	0.494	56%	0.557	S	S	.	*			trans	-84.7	102.4	-179.7	32.5	-32.8	0	0	0	111.5	N411	N411-P811 HydrophobicContact CB-CB 3.81Å; N411-P811 HydrophobicContact CB-CG 4.04Å
812	G	26.4	Very low	27	Very low	36 Å²	36	102 Å²	102	37%	0.371	58%	0.577	S	S	.	*	S	Bend	trans	179.1	-39.2	172.7	0	0	0	0	0	115.5	F810 R814	F810-G812 PolarHBondContact O-N 3Å; G812-R814 PolarHBondContact O-N 2.78Å
813	L	29	Very low	26.8	Very low	80 Å²	80	104.5 Å²	104.5	42%	0.419	59%	0.59	S	S	.	*			trans	-94.5	55.6	-173.6	-61.7	177.5	0	0	0	113.1	I277	I277-L813 HydrophobicContact CG2-CD2 3.54Å
814	R	30.1	Very low	26.6	Very low	168 Å²	168	107 Å²	107	63%	0.634	61%	0.606	S	S	*	*			trans	-134.7	102	168.8	-78.8	-172.9	164.3	-77.1	-4.7	110.8	E354 G812 G816	E354-R814 IonicContact OE1-CZ 3.34Å; E354-R814 VanDerWaalsContact OE1-CZ 3.27Å; E354-R814 IonicContact OE1-NH1 2.67Å; E354-R814 PolarHBondContact OE1-NH1 2.71Å; E354-R814 IonicContact OE1-NH2 3.34Å; E354-R814 PolarHBondContact OE1-NH2 2.86Å; E354-R814 IonicContact OE2-CZ 3.79Å; E354-R814 IonicContact OE2-NH1 2.68Å; E354-R814 PolarHBondContact OE2-NH1 2.68Å; E354-R814 IonicContact OE2-NH2 3.36Å; G812-R814 PolarHBondContact O-N 2.78Å; R814-G816 PolarHBondContact O-N 3.14Å
815	S	27.3	Very low	26.4	Very low	48 Å²	48	108.6 Å²	108.6	34%	0.336	62%	0.621	S	S	.	*			trans	-90.8	84.3	176.2	-63.5	0	0	0	0	110.5
816	G	29	Very low	26.4	Very low	67 Å²	67	113.6 Å²	113.6	69%	0.691	64%	0.642	S	S	*	*			trans	-75.7	145.7	169.9	0	0	0	0	0	112	R814	R814-G816 PolarHBondContact O-N 3.14Å
817	P	28.2	Very low	26.5	Very low	77 Å²	77	115.6 Å²	115.6	50%	0.5	65%	0.652	S	S	.	*			trans	-83.8	160.9	178.6	37.5	-36.8	0	0	0	111.1	L358	L358-P817 HydrophobicContact CD2-CB 4.36Å; L358-P817 VanDerWaalsContact CD2-CD 3.45Å; L358-P817 HydrophobicContact CD2-CG 3.56Å
818	G	26.7	Very low	26.4	Very low	70 Å²	70	122.2 Å²	122.2	72%	0.722	67%	0.67	S	S	*	*			trans	108.4	75.6	165	0	0	0	0	0	115.8
819	L	26.5	Very low	26.4	Very low	163 Å²	163	127 Å²	127	85%	0.853	67%	0.674	S	S	*	*				-161.2	136.1	122.6	-107.5	167.7	0	0	0	110
820	H	22.8	Very low	26.4	Very low	170 Å²	170	131.1 Å²	131.1	79%	0.787	68%	0.684	S	S	*	*			trans	-131.2	55.2	-177.6	-166.2	-65.8	0	0	0	110.3
821	L	25	Very low	26.5	Very low	141 Å²	141	125.9 Å²	125.9	74%	0.738	68%	0.679	S	S	*	*			trans	-168.5	136.9	174	-124.4	72.9	0	0	0	105.4
822	L	26.5	Very low	26.4	Very low	156 Å²	156	127.6 Å²	127.6	82%	0.817	69%	0.693	S	S	*	*			cis	-133.2	147.7	4.8	-78.2	156.7	0	0	0	109.6
823	D	22.5	Very low	26.5	Very low	149 Å²	149	131.6 Å²	131.6	80%	0.797	71%	0.71	S	S	*	*			trans	-101.5	143.8	161.8	-138	-24.1	0	0	0	109.9
824	N	27.3	Very low	26.4	Very low	128 Å²	128	133.2 Å²	133.2	68%	0.684	73%	0.728	S	S	*	*			trans	122.8	111.6	165.9	-73.7	-85.3	0	0	0	118
825	N	25.3	Very low	26.2	Very low	124 Å²	124	129.7 Å²	129.7	66%	0.663	73%	0.729	S	S	*	*				46.1	114.4	129.7	-50.8	-32.3	0	0	0	118.6
826	N	27.5	Very low	26.2	Very low	150 Å²	150	133.1 Å²	133.1	80%	0.802	75%	0.748	S	S	*	*				-174.8	168.1	69.8	-90.2	-74.5	0	0	0	112.7
827	D	24.8	Very low	26	Very low	142 Å²	142	137.6 Å²	137.6	76%	0.759	75%	0.748	S	S	*	*			trans	-57	142.5	167.4	-52.3	-87.8	0	0	0	114.1
828	R	25.7	Very low	26	Very low	249 Å²	249	141.2 Å²	141.2	94%	0.94	76%	0.756	S	S	*	*				-176.9	146.9	111.2	-94.8	156.2	-157.5	-165.3	6.6	115.4
829	Y	25.1	Very low	25.9	Very low	197 Å²	197	142.3 Å²	142.3	77%	0.773	75%	0.753	S	S	*	*			trans	-73.5	163.7	-177.1	-105.5	-93.3	0	0	0	116.8
830	F	26	Very low	25.8	Very low	190 Å²	190	141.1 Å²	141.1	83%	0.833	75%	0.752	S	S	*	*			trans	66.7	144.9	158	-66.2	-62.6	0	0	0	119.8
831	G	26.2	Very low	25.9	Very low	62 Å²	62	138.1 Å²	138.1	64%	0.639	75%	0.751	S	S	*	*			cis	152.1	146.4	-14.1	0	0	0	0	0	116.2
832	S	26.7	Very low	25.9	Very low	113 Å²	113	136.5 Å²	136.5	79%	0.79	75%	0.751	S	S	*	*			trans	68.8	153.4	156.2	-66	0	0	0	0	119.6
833	T	27.2	Very low	25.7	Very low	119 Å²	119	134 Å²	134	73%	0.73	75%	0.746	S	S	*	*			cis	-163.6	145.1	-6.5	14.4	0	0	0	0	114.1
834	S	27	Very low	25.9	Very low	114 Å²	114	131.8 Å²	131.8	80%	0.797	75%	0.748	S	S	*	*			trans	66.8	165.4	142.7	81.4	0	0	0	0	119.8
835	S	26.7	Very low	26.1	Very low	95 Å²	95	130.7 Å²	130.7	66%	0.664	75%	0.75	S	S	*	*			cis	-155.4	145	14.5	71.1	0	0	0	0	116.2
836	V	26.9	Very low	26.2	Very low	119 Å²	119	132.5 Å²	132.5	72%	0.721	76%	0.76	S	S	*	*			trans	67.6	142.5	132.1	170.1	0	0	0	0	119
837	F	25.4	Very low	26.1	Very low	161 Å²	161	128.4 Å²	128.4	71%	0.706	75%	0.754	S	S	*	*			cis	-121.1	-174	10.5	-96.5	-63.1	0	0	0	110.7
838	K	27.8	Very low	26.2	Very low	154 Å²	154	130.2 Å²	130.2	67%	0.67	76%	0.762	S	S	*	*			cis	-148.9	135.5	-1.8	-133.6	133.7	-169.9	128.7	0	106.3
839	S	24.3	Very low	26.4	Very low	92 Å²	92	123.9 Å²	123.9	64%	0.643	75%	0.753	S	S	*	*				65.5	137.8	78.2	-35.9	0	0	0	0	115
840	T	25.2	Very low	26.3	Very low	138 Å²	138	120.8 Å²	120.8	85%	0.847	75%	0.746	S	S	*	*			cis	-139	153.5	21.1	45.3	0	0	0	0	116.2
841	S	24	Very low	26.5	Very low	107 Å²	107	117.7 Å²	117.7	75%	0.748	75%	0.745	S	S	*	*			trans	-113.4	-178	153.3	64.7	0	0	0	0	108.4
842	S	25.1	Very low	26.5	Very low	108 Å²	108	124.3 Å²	124.3	76%	0.755	75%	0.75	S	S	*	*			cis	-145	-165.4	17.7	-58.6	0	0	0	0	111.4
843	C	23.7	Very low	26.6	Very low	104 Å²	104	127.4 Å²	127.4	70%	0.703	76%	0.757	S	S	*	*			trans	-102.5	169	172.9	51.4	0	0	0	0	113.6
844	A	26.6	Very low	26.6	Very low	102 Å²	102	132.3 Å²	132.3	84%	0.843	76%	0.763	S	S	*	*			trans	90.7	147.1	170.8	0	0	0	0	0	119.1
845	S	30.3	Very low	26.7	Very low	104 Å²	104	133.2 Å²	133.2	73%	0.727	76%	0.758	S	S	*	*			trans	-75.6	169	-175.7	13.3	0	0	0	0	114.1
846	D	28.2	Very low	26.8	Very low	162 Å²	162	135.1 Å²	135.1	87%	0.866	76%	0.761	S	S	*	*			cis	-157.3	166.6	4.1	-117.5	-38.4	0	0	0	111.4
847	G	25.3	Very low	26.9	Very low	65 Å²	65	134.6 Å²	134.6	67%	0.67	76%	0.763	S	S	*	*			trans	95.3	87.7	144.4	0	0	0	0	0	122.4
848	L	26.3	Very low	27.1	Very low	179 Å²	179	131.7 Å²	131.7	94%	0.937	76%	0.762	S	S	*	*			trans	63.3	150.1	147.6	-74.5	163.9	0	0	0	122
849	P	30.2	Very low	27.2	Very low	116 Å²	116	131.2 Å²	131.2	75%	0.753	77%	0.767	S	S	*	*			trans	-120	156.5	-177.6	41.8	-31	0	0	0	116.6
850	E	22.7	Very low	27.5	Very low	133 Å²	133	132.4 Å²	132.4	62%	0.621	77%	0.766	S	S	*	*			trans	-150.2	142.9	147.2	-133.9	-160.3	-140.5	0	0	109.4	R852	E850-R852 VanDerWaalsContact CD-NE 3.31Å; E850-R852 IonicContact OE1-CZ 3.37Å; E850-R852 IonicContact OE1-NE 3.78Å; E850-R852 PolarHBondContact OE1-NE 3.12Å; E850-R852 VanDerWaalsContact OE1-NE 3.12Å; E850-R852 IonicContact OE1-NH2 3.8Å; E850-R852 PolarHBondContact OE1-NH2 3.25Å; E850-R852 WeakPolarHBondContact OE2-CG 3.4Å; E850-R852 IonicContact OE2-CZ 3.12Å; E850-R852 IonicContact OE2-NE 2.75Å; E850-R852 PolarHBondContact OE2-NE 2.97Å; E850-R852 IonicContact OE2-NH2 3.59Å
851	P	30.9	Very low	27.8	Very low	125 Å²	125	132.4 Å²	132.4	81%	0.812	76%	0.761	S	S	*	*			trans	-140.5	151.2	130.2	37.4	-26.2	0	0	0	113.8
852	R	25.3	Very low	28.1	Very low	200 Å²	200	134.4 Å²	134.4	76%	0.755	76%	0.764	S	S	*	*			trans	-107.2	156.8	179.5	-59	179.9	-173	-160.5	-6.9	112.7	E850	E850-R852 VanDerWaalsContact CD-NE 3.31Å; E850-R852 IonicContact OE1-CZ 3.37Å; E850-R852 IonicContact OE1-NE 3.78Å; E850-R852 PolarHBondContact OE1-NE 3.12Å; E850-R852 VanDerWaalsContact OE1-NE 3.12Å; E850-R852 IonicContact OE1-NH2 3.8Å; E850-R852 PolarHBondContact OE1-NH2 3.25Å; E850-R852 WeakPolarHBondContact OE2-CG 3.4Å; E850-R852 IonicContact OE2-CZ 3.12Å; E850-R852 IonicContact OE2-NE 2.75Å; E850-R852 PolarHBondContact OE2-NE 2.97Å; E850-R852 IonicContact OE2-NH2 3.59Å
853	L	30.2	Very low	28.5	Very low	178 Å²	178	134.3 Å²	134.3	93%	0.932	76%	0.758	S	S	*	*			trans	-123.6	158.9	164.9	-82.3	171.5	0	0	0	111.7
854	R	27.1	Very low	29	Very low	223 Å²	223	136 Å²	136	84%	0.842	77%	0.765	S	S	*	*			trans	-95.3	158.5	-167.3	-58.3	167.9	156.3	175.7	-7.5	112.9
855	N	27.6	Very low	29.2	Very low	133 Å²	133	134.1 Å²	134.1	71%	0.711	76%	0.756	S	S	*	*				179.3	154.7	97.5	-100.2	-14.9	0	0	0	116.9
856	N	29.3	Very low	29.2	Very low	135 Å²	135	135.4 Å²	135.4	72%	0.722	76%	0.759	S	S	*	*			trans	78.2	112.9	151	-67.8	3.5	0	0	0	123.1
857	S	29.7	Very low	29.4	Very low	108 Å²	108	136.2 Å²	136.2	76%	0.755	76%	0.755	S	S	*	*				84.2	123	129.8	56	0	0	0	0	122.9
858	S	30.2	Very low	29.6	Very low	100 Å²	100	138.9 Å²	138.9	70%	0.699	75%	0.754	S	S	*	*			trans	74.1	108.6	144.6	53.7	0	0	0	0	121
859	N	30	Very low	29.7	Very low	144 Å²	144	137.5 Å²	137.5	77%	0.77	74%	0.742	S	S	*	*				106.9	122.5	124.9	-72.9	19.6	0	0	0	120
860	N	30.7	Very low	29.6	Very low	117 Å²	117	138 Å²	138	63%	0.626	74%	0.739	S	S	*	*			trans	82	112.7	149.2	-71.2	59.6	0	0	0	120.3
861	D	31	Very low	29.9	Very low	137 Å²	137	136.9 Å²	136.9	73%	0.733	75%	0.746	S	S	*	*				70.1	133.4	124.8	-47.8	-13.1	0	0	0	119.8
862	D	29.6	Very low	29.7	Very low	150 Å²	150	136.4 Å²	136.4	80%	0.802	74%	0.741	S	S	*	*			cis	-167.8	-176	-13.3	-166.5	5.5	0	0	0	109.2
863	V	34.3	Very low	29.9	Very low	105 Å²	105	132.4 Å²	132.4	64%	0.636	74%	0.739	S	S	*	*			trans	82.7	91	159.4	-171.6	0	0	0	0	119.4
864	T	34.3	Very low	29.7	Very low	140 Å²	140	129.5 Å²	129.5	86%	0.859	73%	0.729	S	S	*	*			trans	52.2	156.7	139.5	66.6	0	0	0	0	121.6
865	G	30.6	Very low	29.5	Very low	63 Å²	63	124.7 Å²	124.7	65%	0.649	72%	0.724	S	S	*	*			cis	162.3	127.6	-1.3	0	0	0	0	0	109
866	V	30.9	Very low	29.5	Very low	130 Å²	130	124.8 Å²	124.8	79%	0.788	73%	0.73	S	S	*	*				92.8	101.3	80.8	158.6	0	0	0	0	113.5
867	F	31.8	Very low	29.7	Very low	180 Å²	180	124.9 Å²	124.9	79%	0.789	74%	0.735	S	S	*	*			trans	61.7	164.2	152.9	-69.4	-114.8	0	0	0	118.9
868	D	28.8	Very low	30.2	Very low	120 Å²	120	125.3 Å²	125.3	64%	0.642	74%	0.735	S	S	*	*			cis	-164.9	167	-43.8	-105.3	-9.7	0	0	0	110
869	H	29.3	Very low	30.2	Very low	150 Å²	150	125.5 Å²	125.5	69%	0.694	74%	0.743	S	S	*	*			trans	4.8	152.4	152.8	-63.7	-55.6	0	0	0	122
870	N	28	Very low	30.2	Very low	126 Å²	126	125.2 Å²	125.2	67%	0.674	75%	0.747	S	S	*	*			cis	-172.2	156.8	-2	-108.8	-6.9	0	0	0	110.4
871	S	28.1	Very low	30.2	Very low	111 Å²	111	131.5 Å²	131.5	78%	0.776	76%	0.761	S	S	*	*			trans	64.5	156.9	151	72.4	0	0	0	0	118.5
872	T	27.6	Very low	30.2	Very low	114 Å²	114	129.4 Å²	129.4	70%	0.699	76%	0.763	S	S	*	*			cis	-154.5	177.8	5.6	-20.6	0	0	0	0	111.5
873	T	28.6	Very low	30.4	Very low	116 Å²	116	126.5 Å²	126.5	71%	0.712	76%	0.755	S	S	*	*			trans	75.3	112.2	148.7	38.9	0	0	0	0	122.9
874	T	25.8	Very low	30.4	Very low	118 Å²	118	132.2 Å²	132.2	72%	0.724	77%	0.766	S	S	*	*			trans	67.2	109.6	130.7	56	0	0	0	0	123.7
875	T	24.1	Very low	30.3	Very low	121 Å²	121	129.1 Å²	129.1	74%	0.742	76%	0.762	S	S	*	*				80.6	150.4	122.1	-43.3	0	0	0	0	120.3
876	T	28	Very low	30.4	Very low	136 Å²	136	130 Å²	130	83%	0.834	77%	0.772	S	S	*	*			trans	100.2	132.6	166.1	70.6	0	0	0	0	119.7
877	V	32.1	Very low	30.4	Very low	137 Å²	137	127.4 Å²	127.4	83%	0.83	77%	0.771	S	S	*	*			trans	-129.9	159.9	172.5	162.6	0	0	0	0	103.8
878	P	39.7	Very low	30.4	Very low	116 Å²	116	127.1 Å²	127.1	75%	0.753	77%	0.772	S	S	*	*			cis	-127.3	-174.2	1.1	31.8	-10.9	0	0	0	114.6
879	A	31.6	Very low	30.6	Very low	105 Å²	105	128.1 Å²	128.1	87%	0.868	78%	0.783	S	S	*	*			trans	-153.2	134.8	145.3	0	0	0	0	0	113.5
880	T	30	Very low	30.6	Very low	138 Å²	138	124.3 Å²	124.3	85%	0.847	78%	0.784	S	S	*	*			trans	-85	151.7	-174.6	51	0	0	0	0	115.8
881	R	29.4	Very low	30.6	Very low	248 Å²	248	130 Å²	130	94%	0.936	80%	0.796	S	S	*	*				-158.5	158.9	122.5	-147.7	164.6	-176.5	153.9	2.6	112.1
882	A	31.9	Very low	30.6	Very low	93 Å²	93	129.1 Å²	129.1	77%	0.769	80%	0.796	S	S	*	*			trans	-148.2	-178.9	-170.5	0	0	0	0	0	113.7
883	S	34.3	Very low	30.8	Very low	90 Å²	90	130.1 Å²	130.1	63%	0.629	80%	0.801	S	S	*	*			trans	79.8	136.9	174.9	-141.7	0	0	0	0	115.8
884	Y	33.2	Very low	30.8	Very low	224 Å²	224	130.3 Å²	130.3	88%	0.878	80%	0.802	S	S	*	*			cis	-123.3	172.6	6.6	-68	-98.9	0	0	0	110.3
885	G	32.6	Very low	31.1	Very low	75 Å²	75	136.4 Å²	136.4	77%	0.773	81%	0.812	S	S	*	*			cis	107.5	133.9	7.5	0	0	0	0	0	112.5
886	G	31.9	Very low	31.4	Very low	82 Å²	82	134.4 Å²	134.4	85%	0.845	82%	0.815	S	S	*	*			cis	168.2	-169.3	-0.2	0	0	0	0	0	114
887	G	30.8	Very low	31.5	Very low	75 Å²	75	131.4 Å²	131.4	77%	0.773	81%	0.811	S	S	*	*			trans	90.6	160.3	162.7	0	0	0	0	0	118.4
888	E	33	Very low	31.6	Very low	175 Å²	175	132.5 Å²	132.5	82%	0.818	82%	0.818	S	S	*	*				-174.5	132.8	-53.5	-115.8	-172.2	161.1	0	0	111.8
889	T	32.5	Very low	31.2	Very low	141 Å²	141	130.1 Å²	130.1	87%	0.865	81%	0.814	S	S	*	*			trans	60.8	169.9	156.2	72.4	0	0	0	0	120
890	G	29.5	Very low	31.3	Very low	70 Å²	70	130.7 Å²	130.7	72%	0.722	81%	0.812	S	S	*	*			trans	153	6.5	147.1	0	0	0	0	0	126.1
891	R	28.7	Very low	31.4	Very low	245 Å²	245	129.8 Å²	129.8	93%	0.925	81%	0.806	S	S	*	*			trans	44.7	101.4	151.4	-167	-178	-168.6	169.2	3.9	121.1
892	A	27.3	Very low	31.6	Very low	93 Å²	93	124.3 Å²	124.3	77%	0.769	80%	0.8	S	S	*	*			trans	60.8	145.4	142.6	0	0	0	0	0	123.4
893	V	30.8	Very low	31.6	Very low	134 Å²	134	124.8 Å²	124.8	81%	0.812	80%	0.804	S	S	*	*				167	109.8	127.6	156.4	0	0	0	0	114.3
894	V	29.9	Very low	31.5	Very low	121 Å²	121	124.2 Å²	124.2	73%	0.733	81%	0.812	S	S	*	*			trans	56.2	131.4	133.2	-173.6	0	0	0	0	124.4
895	R	30.8	Very low	31.4	Very low	246 Å²	246	118.5 Å²	118.5	93%	0.928	81%	0.806	S	S	*	*			trans	102.5	131.9	144.3	-99.1	168.7	-172.1	-170.7	1.4	123.4
896	G	31	Very low	31.3	Very low	79 Å²	79	121.6 Å²	121.6	81%	0.814	80%	0.804	S	S	*	*			trans	91.7	136.3	162.7	0	0	0	0	0	115.4
897	G	30.5	Very low	31.4	Very low	73 Å²	73	123.4 Å²	123.4	75%	0.753	80%	0.799	S	S	*	*			cis	103	134.3	3	0	0	0	0	0	113.3
898	V	33.3	Very low	31.4	Very low	159 Å²	159	126.6 Å²	126.6	96%	0.964	80%	0.798	S	S	*	*			cis	-157.9	153.2	6.5	178	0	0	0	0	110.4
899	G	32.1	Very low	31.3	Very low	66 Å²	66	123.7 Å²	123.7	68%	0.68	79%	0.792	S	S	*	*			trans	129.9	125.7	169.1	0	0	0	0	0	112.9
900	S	33	Very low	31.3	Very low	117 Å²	117	128.6 Å²	128.6	82%	0.818	80%	0.795	S	S	*	*			cis	73.8	125.6	28.5	-131.8	0	0	0	0	113.1
901	T	33.1	Very low	31.2	Very low	119 Å²	119	128.9 Å²	128.9	73%	0.73	80%	0.798	S	S	*	*			cis	-156.2	152.7	32.7	41.1	0	0	0	0	115.6
902	V	33.8	Very low	31.1	Very low	133 Å²	133	129.4 Å²	129.4	81%	0.806	80%	0.8	S	S	*	*			trans	66.9	111.4	137.7	176.1	0	0	0	0	123.6
903	A	32	Very low	31.3	Very low	103 Å²	103	136.6 Å²	136.6	85%	0.851	81%	0.807	S	S	*	*			trans	51.1	139	132.4	0	0	0	0	0	125.7
904	G	30.7	Very low	31.2	Very low	78 Å²	78	133.9 Å²	133.9	80%	0.804	81%	0.806	S	S	*	*			trans	171.2	139.7	161.9	0	0	0	0	0	112.5
905	S	31.1	Very low	31	Very low	105 Å²	105	136.5 Å²	136.5	73%	0.734	81%	0.81	S	S	*	*			trans	-81	170.6	178.3	60.6	0	0	0	0	112
906	D	31	Very low	30.7	Very low	139 Å²	139	132.3 Å²	132.3	74%	0.743	81%	0.805	S	S	*	*			cis	-146	140.5	41.4	-71.3	-41.6	0	0	0	111.1
907	V	34.9	Very low	30.6	Very low	120 Å²	120	133.5 Å²	133.5	73%	0.727	80%	0.796	S	S	*	*				66.1	110.1	88.4	-177.8	0	0	0	0	116.4
908	D	30.8	Very low	30.6	Very low	142 Å²	142	133.7 Å²	133.7	76%	0.759	79%	0.785	S	S	*	*			trans	49	135.5	151	-71.2	-22.3	0	0	0	121.7
909	T	30.4	Very low	30.8	Very low	114 Å²	114	130.2 Å²	130.2	70%	0.699	77%	0.768	S	S	*	*			cis	-167.3	177.2	26.1	18.1	0	0	0	0	112.2
910	R	32.7	Very low	31	Very low	245 Å²	245	130.2 Å²	130.2	93%	0.925	76%	0.755	S	S	*	*			trans	76.4	124.1	168.6	-53.8	-178	-179.3	-179.7	-1.8	115.7
911	G	26.8	Very low	31.4	Very low	75 Å²	75	125.9 Å²	125.9	77%	0.773	73%	0.729	S	S	*	*			cis	124.5	69.6	-5.5	0	0	0	0	0	114.5
912	R	27.9	Very low	32.3	Very low	257 Å²	257	125 Å²	125	97%	0.97	72%	0.72	S	S	*	*			trans	-149.5	90.5	156	-99.6	-167.9	177.8	-165.5	0	109.3
913	R	30.3	Very low	33.4	Very low	243 Å²	243	122.4 Å²	122.4	92%	0.917	70%	0.701	S	S	*	*			trans	-105.9	136	151.9	-100	-173.6	173.3	-171.7	-2	106.5	H915	R913-H915 PolarHBondContact O-N 3.47Å
914	G	28.2	Very low	35.3	Very low	78 Å²	78	120.2 Å²	120.2	80%	0.804	68%	0.675	S	S	*	*			trans	-68.7	130.8	177.6	0	0	0	0	0	110.5	I916	G914-I916 PolarHBondContact O-N 2.93Å
915	H	25.8	Very low	37.3	Very low	176 Å²	176	121.9 Å²	121.9	82%	0.815	67%	0.666	S	S	*	*			trans	-70.1	107.9	161.3	-97.2	-95.1	0	0	0	108.2	R913 V917	R913-H915 PolarHBondContact O-N 3.47Å; H915-V917 HydrophobicContact CB-CG2 4.25Å; H915-V917 PolarHBondContact O-N 3.38Å
916	I	26	Very low	39.4	Very low	158 Å²	158	122.6 Å²	122.6	81%	0.81	66%	0.657	S	S	*	*			trans	-78.1	106.6	145.2	-62.1	175.7	0	0	0	104.1	G914 S918	G914-I916 PolarHBondContact O-N 2.93Å; I916-S918 PolarHBondContact O-N 3.36Å
917	V	27.3	Very low	41.8	Very low	104 Å²	104	116 Å²	116	63%	0.63	62%	0.622	S	S	*	*			trans	-74.1	110.4	169.6	178.9	0	0	0	0	106.6	H915 S919	H915-V917 HydrophobicContact CB-CG2 4.25Å; H915-V917 PolarHBondContact O-N 3.38Å; V917-S919 PolarHBondContact O-N 3.29Å
918	S	31.4	Very low	44	Very low	76 Å²	76	113.6 Å²	113.6	53%	0.531	61%	0.605	S	S	.	*			trans	-80.8	99.9	176.4	49.8	0	0	0	0	109.5	I916 T920 G921	I916-S918 PolarHBondContact O-N 3.36Å; S918-T920 PolarHBondContact O-N 2.89Å; S918-G921 PolarHBondContact O-N 2.99Å; S918-G921 VanDerWaalsContact O-N 3.11Å
919	S	36.9	Very low	46.4	Very low	86 Å²	86	112.3 Å²	112.3	60%	0.601	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	10.8	178.8	66.2	0	0	0	0	115	V917	V917-S919 PolarHBondContact O-N 3.29Å
920	T	37.5	Very low	49.1	Very low	66 Å²	66	107.1 Å²	107.1	41%	0.405	56%	0.562	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.2	-36.8	169.3	53.2	0	0	0	0	111.2	T118 S918 D922 L923 D924	T118-T920 HydrophobicContact CG2-CG2 4.29Å; S918-T920 PolarHBondContact O-N 2.89Å; T920-D922 PolarHBondContact O-N 2.7Å; T920-L923 PolarHBondContact O-N 3.01Å; T920-D924 PolarHBondContact O-N 3.2Å
921	G	40.8	Very low	51.3	Low	26 Å²	26	96.4 Å²	96.4	27%	0.268	52%	0.523	S	S	.	.	H	α-helix	trans	-63.6	-41.2	-175.7	0	0	0	0	0	112.9	S918 L923 D924 D925	S918-G921 PolarHBondContact O-N 2.99Å; S918-G921 VanDerWaalsContact O-N 3.11Å; G921-L923 PolarHBondContact O-N 2.72Å; G921-D924 PolarHBondContact O-N 3.22Å; G921-D925 PolarHBondContact O-N 3.49Å
922	D	51.8	Low	53.7	Low	101 Å²	101	98.9 Å²	98.9	54%	0.54	51%	0.512	S	S	.	.	H	α-helix	trans	-61.9	-34	178.1	-47.2	-49.5	0	0	0	111.8	T920 E926	T920-D922 PolarHBondContact O-N 2.7Å; D922-E926 PolarHBondContact O-N 3.38Å; D922-E926 VanDerWaalsContact O-N 3.12Å
923	L	56.8	Low	56.1	Low	78 Å²	78	91.9 Å²	91.9	41%	0.408	49%	0.486	S	S	.	.	H	α-helix	trans	-76.5	-39.5	177.4	-67.8	172.1	0	0	0	112.5	T920 G921 D925 F927	T920-L923 PolarHBondContact O-N 3.01Å; G921-L923 PolarHBondContact O-N 2.72Å; L923-D925 VanDerWaalsContact C-N 3.32Å; L923-F927 VanDerWaalsContact O-CB 3.26Å; L923-F927 WeakPolarHBondContact O-CB 3.5Å; L923-F927 PolarHBondContact O-N 3.32Å
924	D	71.3	Confident	57.8	Low	57 Å²	57	80.6 Å²	80.6	31%	0.305	44%	0.444	S	S	.	.	H	α-helix	trans	-60.7	-42.7	174.4	-75.7	-49	0	0	0	110.8	H115 T920 G921 L928	H115-D924 IonicContact CE1-OD1 2.75Å; H115-D924 PolarHBondContact CE1-OD1 2.88Å; H115-D924 IonicContact ND1-OD1 3.95Å; T920-D924 PolarHBondContact O-N 3.2Å; G921-D924 PolarHBondContact O-N 3.22Å; D924-L928 WeakPolarHBondContact O-CB 3.25Å; D924-L928 WeakPolarHBondContact O-CD1 3.29Å; D924-L928 VanDerWaalsContact O-CG 3.24Å; D924-L928 WeakPolarHBondContact O-CG 3.43Å; D924-L928 PolarHBondContact O-N 3.28Å
925	D	74.2	Confident	59.5	Low	114 Å²	114	81 Å²	81	61%	0.61	43%	0.425	S	S	*	.	H	α-helix	trans	-68.9	-44.9	178.4	-81.2	-20	0	0	0	112.5	G921 L923 F927 L928 E929	G921-D925 PolarHBondContact O-N 3.49Å; L923-D925 VanDerWaalsContact C-N 3.32Å; D925-F927 VanDerWaalsContact C-N 3.34Å; D925-F927 PolarHBondContact O-N 2.82Å; D925-L928 PolarHBondContact O-N 3.46Å; D925-E929 PolarHBondContact O-N 2.97Å
926	E	75.5	Confident	61	Low	119 Å²	119	76.8 Å²	76.8	56%	0.556	41%	0.412	S	S	*	.	H	α-helix	trans	-60.4	-41.8	173.4	-79.5	-169.7	170.8	0	0	111.8	M111 D922 E929 M930	M111-E926 HydrophobicContact SD-CB 4.39Å; D922-E926 PolarHBondContact O-N 3.38Å; D922-E926 VanDerWaalsContact O-N 3.12Å; E926-E929 PolarHBondContact O-N 3.48Å; E926-M930 PolarHBondContact O-N 3.27Å
927	F	79.7	Confident	62.1	Low	2 Å²	2	73.5 Å²	73.5	1%	0.009	40%	0.401	C	S	.	.	H	α-helix	trans	-64.9	-40.8	176.3	-178.7	-91.2	0	0	0	111.9	L77 R81 T93 C112 H115 L923 D925 M930 I931	L77-F927 HydrophobicContact CD2-CE1 4.11Å; L77-F927 HydrophobicContact CD2-CZ 3.77Å; R81-F927 VanDerWaalsContact NH2-CE1 3.34Å; T93-F927 HydrophobicContact CG2-CE2 3.85Å; T93-F927 HydrophobicContact CG2-CZ 3.9Å; C112-F927 HydrophobicContact CB-CE2 4.41Å; H115-F927 HydrophobicContact CB-CD2 3.73Å; H115-F927 HydrophobicContact CB-CE2 3.98Å; H115-F927 HydrophobicContact CB-CG 4.11Å; H115-F927 AromaticContact CD2-CE1 3.87Å; H115-F927 AromaticContact CD2-CZ 3.96Å; H115-F927 AromaticContact CG-CG 3.99Å; L923-F927 VanDerWaalsContact O-CB 3.26Å; L923-F927 WeakPolarHBondContact O-CB 3.5Å; L923-F927 PolarHBondContact O-N 3.32Å; D925-F927 VanDerWaalsContact C-N 3.34Å; D925-F927 PolarHBondContact O-N 2.82Å; F927-M930 HydrophobicContact CD2-CE 3.45Å; F927-M930 VanDerWaalsContact CD2-CE 3.45Å; F927-M930 HydrophobicContact CE2-CE 3.38Å; F927-M930 HydrophobicContact CG-CE 4.21Å; F927-M930 HydrophobicContact CZ-CE 4.12Å; F927-M930 WeakPolarHBondContact O-CB 3.48Å; F927-M930 PolarHBondContact O-N 3Å; F927-I931 HydrophobicContact CD1-CG1 4.1Å; F927-I931 HydrophobicContact CE1-CD1 4.19Å; F927-I931 HydrophobicContact CE1-CG1 3.66Å; F927-I931 HydrophobicContact CZ-CD1 3.98Å; F927-I931 HydrophobicContact CZ-CG1 3.94Å; F927-I931 WeakPolarHBondContact O-CG1 3.23Å; F927-I931 PolarHBondContact O-N 3.38Å
928	L	81.6	Confident	62.9	Low	69 Å²	69	70.1 Å²	70.1	36%	0.361	38%	0.381	S	S	.	.	H	α-helix	trans	-63.2	-44.1	174.5	-78	165.2	0	0	0	111.8	R81 D924 D925 M930 I931 F932	R81-L928 VanDerWaalsContact NH1-CD2 3.27Å; D924-L928 WeakPolarHBondContact O-CB 3.25Å; D924-L928 WeakPolarHBondContact O-CD1 3.29Å; D924-L928 VanDerWaalsContact O-CG 3.24Å; D924-L928 WeakPolarHBondContact O-CG 3.43Å; D924-L928 PolarHBondContact O-N 3.28Å; D925-L928 PolarHBondContact O-N 3.46Å; L928-M930 VanDerWaalsContact C-N 3.35Å; L928-M930 PolarHBondContact O-N 3.26Å; L928-I931 PolarHBondContact O-N 2.92Å; L928-F932 WeakPolarHBondContact O-CD2 3.15Å; L928-F932 PolarHBondContact O-N 2.96Å
929	E	82.4	Confident	63	Low	115 Å²	115	75.2 Å²	75.2	54%	0.537	39%	0.389	S	S	.	.	H	α-helix	trans	-61.7	-42.8	175.4	-160.8	-156.8	117.5	0	0	111.3	D925 E926 I931 F932 R933	D925-E929 PolarHBondContact O-N 2.97Å; E926-E929 PolarHBondContact O-N 3.48Å; E929-I931 PolarHBondContact O-N 2.91Å; E929-F932 PolarHBondContact O-N 3.29Å; E929-R933 HydrophobicContact CG-CG 4.46Å; E929-R933 WeakPolarHBondContact O-CB 3.32Å; E929-R933 WeakPolarHBondContact O-CG 3.04Å; E929-R933 PolarHBondContact O-N 2.77Å; E929-R933 WeakPolarHBondContact OE1-CD 3.39Å; E929-R933 IonicContact OE1-NH1 2.76Å
930	M	86.6	Confident	62.8	Low	4 Å²	4	77.4 Å²	77.4	2%	0.02	39%	0.392	C	S	.	.	H	α-helix	trans	-56.3	-50.1	173.5	178.2	-159.5	63.2	0	0	111.2	E108 M111 E926 F927 L928 F932 R933 I934	E108-M930 HydrophobicContact CB-CG 4.45Å; E108-M930 HydrophobicContact CB-SD 3.9Å; E108-M930 HydrophobicContact CG-CG 4.3Å; E108-M930 HydrophobicContact CG-SD 4.36Å; M111-M930 HydrophobicContact CB-CE 4.49Å; M111-M930 HydrophobicContact CB-SD 3.91Å; M111-M930 HydrophobicContact CE-CB 3.93Å; M111-M930 HydrophobicContact CE-CG 3.83Å; M111-M930 HydrophobicContact CE-SD 3.75Å; M111-M930 HydrophobicContact SD-CB 4.2Å; M111-M930 HydrophobicContact SD-SD 4.43Å; E926-M930 PolarHBondContact O-N 3.27Å; F927-M930 HydrophobicContact CD2-CE 3.45Å; F927-M930 VanDerWaalsContact CD2-CE 3.45Å; F927-M930 HydrophobicContact CE2-CE 3.38Å; F927-M930 HydrophobicContact CG-CE 4.21Å; F927-M930 HydrophobicContact CZ-CE 4.12Å; F927-M930 WeakPolarHBondContact O-CB 3.48Å; F927-M930 PolarHBondContact O-N 3Å; L928-M930 VanDerWaalsContact C-N 3.35Å; L928-M930 PolarHBondContact O-N 3.26Å; M930-F932 VanDerWaalsContact C-N 3.32Å; M930-F932 PolarHBondContact O-N 3.38Å; M930-R933 PolarHBondContact O-N 2.94Å; M930-R933 VanDerWaalsContact O-N 3.17Å; M930-I934 HydrophobicContact CG-CD1 3.87Å; M930-I934 HydrophobicContact CG-CG1 4.47Å; M930-I934 VanDerWaalsContact O-CG1 3.32Å; M930-I934 WeakPolarHBondContact O-CG1 3.42Å; M930-I934 PolarHBondContact O-N 2.8Å; M930-I934 HydrophobicContact SD-CD1 4.36Å
931	I	78.4	Confident	62.5	Low	20 Å²	20	80.8 Å²	80.8	10%	0.103	41%	0.408	C	S	.	.	H	α-helix	trans	-58.9	-43.5	179.5	-69	-63.8	0	0	0	111.2	R74 L77 L96 F927 L928 E929 I934 Q935	R74-I931 PolarHBondContact NH2-O 3.45Å; L77-I931 HydrophobicContact CD2-CD1 3.61Å; L77-I931 HydrophobicContact CD2-CG1 4.32Å; L96-I931 HydrophobicContact CD2-CD1 3.59Å; F927-I931 HydrophobicContact CD1-CG1 4.1Å; F927-I931 HydrophobicContact CE1-CD1 4.19Å; F927-I931 HydrophobicContact CE1-CG1 3.66Å; F927-I931 HydrophobicContact CZ-CD1 3.98Å; F927-I931 HydrophobicContact CZ-CG1 3.94Å; F927-I931 WeakPolarHBondContact O-CG1 3.23Å; F927-I931 PolarHBondContact O-N 3.38Å; L928-I931 PolarHBondContact O-N 2.92Å; E929-I931 PolarHBondContact O-N 2.91Å; I931-I934 PolarHBondContact O-N 3.02Å; I931-Q935 WeakPolarHBondContact O-CG 3.41Å; I931-Q935 PolarHBondContact O-N 2.99Å
932	F	77.7	Confident	62	Low	128 Å²	128	83.2 Å²	83.2	56%	0.561	42%	0.415	S	S	*	.	H	α-helix	trans	-63.8	-41.1	174.7	-87.5	-66.1	0	0	0	113.1	L928 E929 M930 I934 Q935 T936	L928-F932 WeakPolarHBondContact O-CD2 3.15Å; L928-F932 PolarHBondContact O-N 2.96Å; E929-F932 PolarHBondContact O-N 3.29Å; M930-F932 VanDerWaalsContact C-N 3.32Å; M930-F932 PolarHBondContact O-N 3.38Å; F932-I934 PolarHBondContact O-N 3.48Å; F932-Q935 WeakPolarHBondContact O-CA 3.47Å; F932-Q935 WeakPolarHBondContact O-CB 3.24Å; F932-Q935 PolarHBondContact O-N 3.03Å; F932-T936 PolarHBondContact O-N 3.45Å
933	R	77.7	Confident	61.1	Low	109 Å²	109	87.2 Å²	87.2	41%	0.411	43%	0.43	S	S	.	.	H	α-helix	trans	-65	-38.2	176.8	-78	175.9	51	-145	-12.8	112.3	E929 M930 Q935 T936 C937	E929-R933 HydrophobicContact CG-CG 4.46Å; E929-R933 WeakPolarHBondContact O-CB 3.32Å; E929-R933 WeakPolarHBondContact O-CG 3.04Å; E929-R933 PolarHBondContact O-N 2.77Å; E929-R933 WeakPolarHBondContact OE1-CD 3.39Å; E929-R933 IonicContact OE1-NH1 2.76Å; M930-R933 PolarHBondContact O-N 2.94Å; M930-R933 VanDerWaalsContact O-N 3.17Å; R933-Q935 PolarHBondContact O-N 2.91Å; R933-T936 PolarHBondContact O-OG1 2.76Å; R933-T936 VanDerWaalsContact O-OG1 3.07Å; R933-C937 PolarHBondContact O-N 3.18Å; R933-C937 PolarHBondContact O-SG 3.29Å
934	I	67.1	Low	59.6	Low	7 Å²	7	94.9 Å²	94.9	4%	0.036	45%	0.454	C	S	.	.	H	α-helix	trans	-69.8	-24.9	172.4	-51.6	164.4	0	0	0	110.2	L70 R74 L100 M930 I931 F932 T938	L70-I934 HydrophobicContact CD2-CG2 3.88Å; R74-I934 PolarHBondContact NH2-O 3.2Å; L100-I934 HydrophobicContact CD1-CD1 4.46Å; L100-I934 HydrophobicContact CD2-CD1 4.35Å; M930-I934 HydrophobicContact CG-CD1 3.87Å; M930-I934 HydrophobicContact CG-CG1 4.47Å; M930-I934 VanDerWaalsContact O-CG1 3.32Å; M930-I934 WeakPolarHBondContact O-CG1 3.42Å; M930-I934 PolarHBondContact O-N 2.8Å; M930-I934 HydrophobicContact SD-CD1 4.36Å; I931-I934 PolarHBondContact O-N 3.02Å; F932-I934 PolarHBondContact O-N 3.48Å; I934-T938 PolarHBondContact O-N 3.33Å; I934-T938 PolarHBondContact O-OG1 3.12Å
935	Q	62.4	Low	57.7	Low	87 Å²	87	97.1 Å²	97.1	41%	0.407	47%	0.469	S	S	.	.	H	α-helix	trans	-73.2	-40.8	176.5	-75.2	178.4	2.9	0	0	112.1	I931 F932 R933 C937 T938 R939	I931-Q935 WeakPolarHBondContact O-CG 3.41Å; I931-Q935 PolarHBondContact O-N 2.99Å; F932-Q935 WeakPolarHBondContact O-CA 3.47Å; F932-Q935 WeakPolarHBondContact O-CB 3.24Å; F932-Q935 PolarHBondContact O-N 3.03Å; R933-Q935 PolarHBondContact O-N 2.91Å; Q935-C937 VanDerWaalsContact C-N 3.35Å; Q935-T938 PolarHBondContact O-OG1 3.02Å; Q935-R939 WeakPolarHBondContact O-CB 3.26Å; Q935-R939 PolarHBondContact O-N 3.28Å
936	T	59	Low	55.6	Low	87 Å²	87	100 Å²	100	53%	0.534	49%	0.485	S	S	.	.	H	α-helix	trans	-69.7	-34.3	176.9	54.2	0	0	0	0	111.7	F932 R933 I940	F932-T936 PolarHBondContact O-N 3.45Å; R933-T936 PolarHBondContact O-OG1 2.76Å; R933-T936 VanDerWaalsContact O-OG1 3.07Å; T936-I940 WeakPolarHBondContact O-CD1 3.46Å; T936-I940 WeakPolarHBondContact O-CG1 3.44Å
937	C	48.1	Very low	53.5	Low	88 Å²	88	99.7 Å²	99.7	60%	0.595	49%	0.487	S	S	*	.	H	α-helix	trans	-66	-40.5	176.1	-71.4	0	0	0	0	114.3	R933 Q935	R933-C937 PolarHBondContact O-N 3.18Å; R933-C937 PolarHBondContact O-SG 3.29Å; Q935-C937 VanDerWaalsContact C-N 3.35Å
938	T	43.5	Very low	51.3	Low	34 Å²	34	105.1 Å²	105.1	21%	0.209	52%	0.522	C	S	.	.	H	α-helix	trans	-71.5	-45.2	178.3	53.9	0	0	0	0	111.6	I934 Q935 I940 N941	I934-T938 PolarHBondContact O-N 3.33Å; I934-T938 PolarHBondContact O-OG1 3.12Å; Q935-T938 PolarHBondContact O-OG1 3.02Å; T938-I940 PolarHBondContact O-N 3.32Å; T938-N941 PolarHBondContact O-N 3.03Å
939	R	33.9	Very low	49.1	Very low	183 Å²	183	105.5 Å²	105.5	69%	0.691	52%	0.524	S	S	*	.	H	α-helix	trans	-62	-13.2	-173.3	-158.4	173.7	-166.3	144.9	12.2	115.2	Q935 D942	Q935-R939 WeakPolarHBondContact O-CB 3.26Å; Q935-R939 PolarHBondContact O-N 3.28Å; R939-D942 WeakPolarHBondContact CA-OD2 3.48Å
940	I	32.3	Very low	46.9	Very low	131 Å²	131	103.5 Å²	103.5	67%	0.672	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-27.3	175.5	-71.3	167.7	0	0	0	111.9	T936 T938	T936-I940 WeakPolarHBondContact O-CD1 3.46Å; T936-I940 WeakPolarHBondContact O-CG1 3.44Å; T938-I940 PolarHBondContact O-N 3.32Å
941	N	31.3	Very low	44.4	Very low	138 Å²	138	109.4 Å²	109.4	74%	0.738	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	-20.7	177.5	-74.9	-17	0	0	0	113.6	T938 Q943	T938-N941 PolarHBondContact O-N 3.03Å; N941-Q943 PolarHBondContact O-N 3.31Å
942	D	31.2	Very low	42.4	Very low	77 Å²	77	113.9 Å²	113.9	41%	0.412	58%	0.581	S	S	.	*			trans	-72.5	16.7	-167.4	-70.9	-41	0	0	0	116.7	R939 R944	R939-D942 WeakPolarHBondContact CA-OD2 3.48Å; D942-R944 PolarHBondContact O-N 3.17Å
943	Q	32	Very low	40.1	Very low	184 Å²	184	116 Å²	116	86%	0.86	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	13.6	176.2	-65.3	-160.6	-1.1	0	0	114.4	N941	N941-Q943 PolarHBondContact O-N 3.31Å
944	R	26.7	Very low	37.8	Very low	239 Å²	239	115.7 Å²	115.7	90%	0.902	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.8	20.1	-172.6	-75.4	-165.7	172.6	-177.2	-0.8	117.2	D942	D942-R944 PolarHBondContact O-N 3.17Å
945	T	30.2	Very low	36	Very low	104 Å²	104	124.4 Å²	124.4	64%	0.638	64%	0.643	S	S	*	*			trans	-139.7	124.7	177.7	1.8	0	0	0	0	113.5	L947	T945-L947 PolarHBondContact O-N 3.42Å
946	N	29.8	Very low	34.2	Very low	175 Å²	175	125 Å²	125	94%	0.936	66%	0.656	S	S	*	*			trans	-84.1	89.3	170.4	-71.7	-43	0	0	0	110
947	L	31.5	Very low	32.6	Very low	113 Å²	113	129.9 Å²	129.9	59%	0.592	67%	0.673	S	S	*	*			trans	-117.2	139.6	159.7	-120.6	72.4	0	0	0	108.3	W75 T945 D949	W75-L947 HydrophobicContact CH2-CD2 4.18Å; W75-L947 HydrophobicContact CZ3-CD2 4.47Å; T945-L947 PolarHBondContact O-N 3.42Å; L947-D949 PolarHBondContact O-N 3.11Å
948	P	34.1	Very low	31.8	Very low	115 Å²	115	132.1 Å²	132.1	75%	0.747	68%	0.684	S	S	*	*			trans	-74.4	126.8	179.2	29.6	-32.9	0	0	0	110.9	P950	P948-P950 WeakPolarHBondContact O-CD 3.24Å
949	D	35.1	Very low	30.9	Very low	77 Å²	77	137.7 Å²	137.7	41%	0.412	71%	0.713	S	S	.	*			trans	-71.4	110.6	169.8	-176.7	-17.7	0	0	0	109.5	L947 L951 T952	L947-D949 PolarHBondContact O-N 3.11Å; D949-L951 PolarHBondContact O-N 3.49Å; D949-L951 VanDerWaalsContact O-N 3.08Å; D949-L951 VanDerWaalsContact OD1-CB 3.3Å; D949-L951 WeakPolarHBondContact OD1-CB 3.38Å; D949-L951 WeakPolarHBondContact OD1-CG 3.41Å; D949-L951 PolarHBondContact OD1-N 3.26Å; D949-T952 PolarHBondContact O-OG1 2.84Å
950	P	36.1	Very low	30.7	Very low	73 Å²	73	134.9 Å²	134.9	47%	0.474	72%	0.718	S	S	.	*	G	3₁₀ helix	trans	-68.3	-9.7	-173.7	-19.1	33.9	0	0	0	114	P948 T952	P948-P950 WeakPolarHBondContact O-CD 3.24Å; P950-T952 PolarHBondContact O-N 3.29Å
951	L	35	Very low	30.6	Very low	128 Å²	128	134.7 Å²	134.7	67%	0.67	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-75.4	-3.6	-173.8	-61.8	173.1	0	0	0	114.1	D949	D949-L951 PolarHBondContact O-N 3.49Å; D949-L951 VanDerWaalsContact O-N 3.08Å; D949-L951 VanDerWaalsContact OD1-CB 3.3Å; D949-L951 WeakPolarHBondContact OD1-CB 3.38Å; D949-L951 WeakPolarHBondContact OD1-CG 3.41Å; D949-L951 PolarHBondContact OD1-N 3.26Å
952	T	36.7	Very low	30.4	Very low	115 Å²	115	135.7 Å²	135.7	71%	0.706	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-103.4	-5.3	-174.2	50.1	0	0	0	0	116.6	D949 P950	D949-T952 PolarHBondContact O-OG1 2.84Å; P950-T952 PolarHBondContact O-N 3.29Å
953	Q	28.4	Very low	30.4	Very low	172 Å²	172	141 Å²	141	80%	0.804	75%	0.745	S	S	*	*	S	Bend	trans	-104.7	-5.5	-174.5	-70	-165.6	-9.7	0	0	116.8	Q955	Q953-Q955 PolarHBondContact O-N 3.3Å
954	V	30	Very low	30.2	Very low	102 Å²	102	137.9 Å²	137.9	62%	0.618	73%	0.734	S	S	*	*	S	Bend	trans	-96.9	40.1	-174.3	-158.5	0	0	0	0	113.5
955	Q	27.8	Very low	30.5	Very low	191 Å²	191	132.8 Å²	132.8	89%	0.893	73%	0.725	S	S	*	*	S	Bend	trans	-144.6	49.1	176.2	-71.5	-162.3	-7.8	0	0	114.7	Q953	Q953-Q955 PolarHBondContact O-N 3.3Å
956	S	26	Very low	30.5	Very low	98 Å²	98	133.6 Å²	133.6	69%	0.685	73%	0.725	S	S	*	*			trans	-154.6	31.7	171.7	56.8	0	0	0	0	117.8
957	H	25.5	Very low	30.6	Very low	191 Å²	191	133.1 Å²	133.1	88%	0.884	72%	0.723	S	S	*	*			trans	-121.4	77.3	173.8	-77.1	-34.8	0	0	0	114.3
958	T	30.1	Very low	30.5	Very low	134 Å²	134	130.8 Å²	130.8	82%	0.822	73%	0.726	S	S	*	*			trans	-105.7	103.2	161.7	38.4	0	0	0	0	110.2	P960	T958-P960 WeakPolarHBondContact O-CD 3.32Å
959	N	25.4	Very low	30.4	Very low	152 Å²	152	135.3 Å²	135.3	81%	0.813	74%	0.737	S	S	*	*			trans	-72.9	131.2	172.7	-80.4	-34.6	0	0	0	111.4
960	P	29.3	Very low	30.2	Very low	124 Å²	124	134.9 Å²	134.9	81%	0.805	75%	0.752	S	S	*	*			trans	-112.2	96.4	166.2	34.2	-20.7	0	0	0	111	T958	T958-P960 WeakPolarHBondContact O-CD 3.32Å
961	T	29.8	Very low	30	Very low	126 Å²	126	136.5 Å²	136.5	77%	0.773	76%	0.764	S	S	*	*			trans	-86.6	119.7	173.7	47.3	0	0	0	0	111.9
962	H	26.8	Very low	29.8	Very low	159 Å²	159	140.4 Å²	140.4	74%	0.736	77%	0.77	S	S	*	*			trans	33.3	119.6	159.4	-69.7	-70.5	0	0	0	120.2
963	H	32	Very low	29.5	Very low	189 Å²	189	141.2 Å²	141.2	88%	0.875	77%	0.766	S	S	*	*				-151.3	155.3	103.1	-116.4	-80.1	0	0	0	111.8
964	N	28.5	Very low	29.4	Very low	118 Å²	118	139.5 Å²	139.5	63%	0.631	76%	0.761	S	S	*	*			trans	-87.2	153	-172.1	-53.7	-19.4	0	0	0	112.3
965	N	31.6	Very low	29.4	Very low	132 Å²	132	145.5 Å²	145.5	71%	0.706	77%	0.772	S	S	*	*				-176	128	104.2	-97.2	25.4	0	0	0	114.4
966	D	30.8	Very low	29.4	Very low	121 Å²	121	145.1 Å²	145.1	65%	0.647	77%	0.77	S	S	*	*			trans	64.4	132.6	135.7	-51.2	-23.8	0	0	0	124.6
967	N	31.7	Very low	30	Very low	165 Å²	165	145.3 Å²	145.3	88%	0.882	77%	0.769	S	S	*	*			trans	73.7	127.5	155.9	-52	-39.5	0	0	0	118.7
968	G	29.7	Very low	30.2	Very low	65 Å²	65	143.2 Å²	143.2	67%	0.67	76%	0.763	S	S	*	*			cis	170.8	156.7	-6.7	0	0	0	0	0	113.3
969	E	32	Very low	30.1	Very low	209 Å²	209	141.4 Å²	141.4	98%	0.977	76%	0.756	S	S	*	*			trans	62.5	138.7	171.1	-51.7	-172.8	153.9	0	0	117.7
970	G	31.6	Very low	30.3	Very low	69 Å²	69	140 Å²	140	71%	0.711	75%	0.753	S	S	*	*			cis	177	144.9	-11.5	0	0	0	0	0	114.7
971	S	31.5	Very low	30.3	Very low	106 Å²	106	139 Å²	139	74%	0.741	75%	0.749	S	S	*	*			trans	64.8	116.3	154	-57.6	0	0	0	0	122.9
972	R	31	Very low	30.3	Very low	210 Å²	210	141.6 Å²	141.6	79%	0.792	75%	0.753	S	S	*	*				63.7	150.3	127.9	-63.6	-174.3	152.6	127.7	0.9	120.7
973	E	29.7	Very low	30.5	Very low	133 Å²	133	138.2 Å²	138.2	62%	0.621	75%	0.752	S	S	*	*			cis	-162.9	137.5	-10.6	-112.6	161.1	-165.8	0	0	111.2
974	I	27.6	Very low	30.4	Very low	135 Å²	135	135.3 Å²	135.3	69%	0.692	75%	0.748	S	S	*	*			trans	57.8	130.9	135.2	-62.6	174.3	0	0	0	122.7
975	R	28.5	Very low	30.5	Very low	229 Å²	229	135.8 Å²	135.8	86%	0.864	76%	0.755	S	S	*	*			trans	72.7	124.6	164.6	-72.9	162.1	-174.2	-166	-0.6	117.9
976	Q	29	Very low	30.4	Very low	182 Å²	182	134.8 Å²	134.8	85%	0.85	76%	0.759	S	S	*	*			cis	70.4	141.6	45.8	-76.8	-160	-1.9	0	0	116
977	P	38.7	Very low	30.4	Very low	102 Å²	102	136.8 Å²	136.8	66%	0.662	77%	0.769	S	S	*	*				-140.5	-159.3	-55.4	30.4	-5.9	0	0	0	113.5
978	I	29.7	Very low	30.4	Very low	148 Å²	148	134.4 Å²	134.4	76%	0.759	77%	0.765	S	S	*	*			trans	112.4	92.9	151.9	-59.7	167.3	0	0	0	120.6
979	S	27.7	Very low	30.2	Very low	95 Å²	95	139.9 Å²	139.9	66%	0.664	77%	0.773	S	S	*	*			trans	73.1	158.1	130.5	80.5	0	0	0	0	126.2
980	T	29.7	Very low	30.1	Very low	122 Å²	122	141.5 Å²	141.5	75%	0.748	77%	0.77	S	S	*	*			trans	68.9	108.7	169.8	55.9	0	0	0	0	116.7
981	S	29.7	Very low	29.9	Very low	105 Å²	105	146.8 Å²	146.8	73%	0.734	78%	0.777	S	S	*	*				80.2	142	68	74.6	0	0	0	0	113
982	E	29.9	Very low	29.8	Very low	180 Å²	180	149.4 Å²	149.4	84%	0.841	78%	0.782	S	S	*	*			cis	-163.3	149.8	16.6	-156.7	168.5	-123.8	0	0	112.7
983	A	29.1	Very low	29.4	Very low	88 Å²	88	145.1 Å²	145.1	73%	0.727	78%	0.779	S	S	*	*			trans	54	166.2	162.1	0	0	0	0	0	119.3
984	T	29.9	Very low	29.2	Very low	127 Å²	127	146 Å²	146	78%	0.779	79%	0.787	S	S	*	*			cis	-150.7	163.8	8.6	48.1	0	0	0	0	109.8
985	T	30.4	Very low	29.2	Very low	128 Å²	128	150 Å²	150	79%	0.785	80%	0.795	S	S	*	*			cis	-176	118.5	-34.6	39.2	0	0	0	0	108.2
986	S	31.5	Very low	28.9	Very low	112 Å²	112	144.8 Å²	144.8	78%	0.783	79%	0.789	S	S	*	*			trans	-164.3	122.2	158.5	59.4	0	0	0	0	115.3
987	N	30.6	Very low	28.9	Very low	162 Å²	162	141.3 Å²	141.3	87%	0.866	79%	0.785	S	S	*	*			trans	46.6	134	151.2	-60.4	-5.3	0	0	0	120.8
988	S	30.5	Very low	28.3	Very low	115 Å²	115	142.5 Å²	142.5	80%	0.804	80%	0.795	S	S	*	*			cis	-154.6	162.3	3.5	51.5	0	0	0	0	113.1
989	H	26.7	Very low	28.2	Very low	180 Å²	180	139.3 Å²	139.3	83%	0.833	80%	0.799	S	S	*	*			trans	-50.5	141.4	-171.8	-59.1	-93.7	0	0	0	117.3
990	R	28.7	Very low	28	Very low	243 Å²	243	138.9 Å²	138.9	92%	0.917	80%	0.801	S	S	*	*				-157.6	98.3	124.9	-121.8	178.1	-179.2	177.5	-0.2	111.8
991	E	27.8	Very low	28	Very low	180 Å²	180	142.5 Å²	142.5	84%	0.841	81%	0.807	S	S	*	*			trans	-86	160.8	153.7	-72.3	-175.8	124.1	0	0	109.2
992	L	28.9	Very low	28.1	Very low	162 Å²	162	144 Å²	144	85%	0.848	81%	0.807	S	S	*	*			trans	-131.8	96.8	-174.2	-128	169.9	0	0	0	110.2
993	T	24	Very low	27.9	Very low	119 Å²	119	142.7 Å²	142.7	73%	0.73	81%	0.805	S	S	*	*			trans	-131.5	137.9	175.6	44.6	0	0	0	0	110.7
994	L	25.2	Very low	27.8	Very low	151 Å²	151	146.1 Å²	146.1	79%	0.791	81%	0.811	S	S	*	*			trans	60.5	108.4	165.6	-62	169.5	0	0	0	117.6	T996	L994-T996 PolarHBondContact O-N 3.28Å
995	Y	27	Very low	27.9	Very low	220 Å²	220	145.7 Å²	145.7	86%	0.863	81%	0.808	S	S	*	*			trans	-86.5	97.4	154.1	-113.5	-86.5	0	0	0	109.5
996	T	23.3	Very low	27.7	Very low	120 Å²	120	145.5 Å²	145.5	74%	0.736	80%	0.802	S	S	*	*			trans	-132.1	102.5	163.4	52.2	0	0	0	0	108.5	L994	L994-T996 PolarHBondContact O-N 3.28Å
997	S	28.2	Very low	27.5	Very low	109 Å²	109	150.3 Å²	150.3	76%	0.762	80%	0.803	S	S	*	*			trans	-117.6	98.2	-177.5	58.3	0	0	0	0	111.4
998	S	25.1	Very low	27.2	Very low	126 Å²	126	151.9 Å²	151.9	88%	0.881	80%	0.798	S	S	*	*			trans	-131.9	129.9	156.6	-173.4	0	0	0	0	108.3
999	G	27.5	Very low	27.1	Very low	81 Å²	81	152.3 Å²	152.3	84%	0.835	80%	0.801	S	S	*	*			trans	-155	84.9	-174.4	0	0	0	0	0	109.5
1000	A	25.3	Very low	27.1	Very low	87 Å²	87	149.9 Å²	149.9	72%	0.719	80%	0.799	S	S	*	*			trans	-86.2	138.4	-177.7	0	0	0	0	0	111.6
1001	F	29.5	Very low	27.2	Very low	198 Å²	198	144.3 Å²	144.3	87%	0.868	79%	0.794	S	S	*	*			trans	-146.4	100.4	159.8	-108.6	-75.8	0	0	0	111.9
1002	N	31	Very low	27.3	Very low	136 Å²	136	140 Å²	140	73%	0.727	79%	0.789	S	S	*	*			trans	34.6	107.7	148.7	-59.1	-14	0	0	0	120.8
1003	N	25.4	Very low	27.2	Very low	152 Å²	152	137.8 Å²	137.8	81%	0.813	78%	0.782	S	S	*	*				29.8	119.8	127.3	-67.9	-19	0	0	0	120.1
1004	L	28.4	Very low	27.5	Very low	160 Å²	160	139.6 Å²	139.6	84%	0.838	79%	0.786	S	S	*	*				-164.8	104.8	124.7	-105.5	158.3	0	0	0	113.4
1005	T	30.1	Very low	27.6	Very low	118 Å²	118	137.9 Å²	137.9	72%	0.724	78%	0.778	S	S	*	*			trans	39.2	111.4	144.7	57.7	0	0	0	0	122.3
1006	N	26.7	Very low	27.6	Very low	124 Å²	124	134.1 Å²	134.1	66%	0.663	77%	0.773	S	S	*	*				68.2	104.9	112	-161.3	9.6	0	0	0	120.1
1007	R	26.8	Very low	27.9	Very low	214 Å²	214	136.8 Å²	136.8	81%	0.808	78%	0.777	S	S	*	*				174.9	136.3	105.5	-90.8	-169.2	-179	-158.4	-1	115
1008	Y	25.7	Very low	28.1	Very low	195 Å²	195	138.4 Å²	138.4	77%	0.765	78%	0.777	S	S	*	*			trans	5.8	143.7	154.2	-56.9	-89.7	0	0	0	122.8
1009	S	28.2	Very low	28.2	Very low	123 Å²	123	140.3 Å²	140.3	86%	0.86	78%	0.778	S	S	*	*				-157.9	145.4	111.5	-79.9	0	0	0	0	112.8
1010	V	27	Very low	28.3	Very low	129 Å²	129	140 Å²	140	78%	0.782	77%	0.774	S	S	*	*			trans	-134.2	147.3	176	173.7	0	0	0	0	107.7
1011	P	30.9	Very low	28.4	Very low	127 Å²	127	144 Å²	144	83%	0.825	78%	0.783	S	S	*	*			trans	-102.5	145	162.3	3.6	17.8	0	0	0	112.3
1012	A	29.9	Very low	28.3	Very low	88 Å²	88	138.9 Å²	138.9	73%	0.727	78%	0.778	S	S	*	*			trans	-107.2	141.9	-174.3	0	0	0	0	0	111.8
1013	V	27.1	Very low	28.1	Very low	117 Å²	117	140.2 Å²	140.2	71%	0.709	79%	0.785	S	S	*	*				73	119.4	99.3	177	0	0	0	0	116.2	D1015	V1013-D1015 WeakPolarHBondContact CG1-OD1 3.5Å
1014	L	28.9	Very low	28.4	Very low	156 Å²	156	139 Å²	139	82%	0.817	78%	0.778	S	S	*	*			trans	-155.1	133.5	133.2	-69.5	-173.2	0	0	0	103.3
1015	D	26.9	Very low	28.4	Very low	115 Å²	115	137.4 Å²	137.4	62%	0.615	77%	0.77	S	S	*	*			cis	138.6	107.4	16.7	-93.1	0.3	0	0	0	104.4	V1013	V1013-D1015 WeakPolarHBondContact CG1-OD1 3.5Å
1016	N	28.7	Very low	28.4	Very low	142 Å²	142	140.5 Å²	140.5	76%	0.759	77%	0.774	S	S	*	*			trans	160.5	113.2	130.7	-79.2	-9.1	0	0	0	114.7
1017	E	29.2	Very low	28.6	Very low	176 Å²	176	137.8 Å²	137.8	82%	0.822	77%	0.768	S	S	*	*			trans	71.4	149.9	136.4	-58.7	-177	149.2	0	0	122.9
1018	D	31.5	Very low	28.8	Very low	143 Å²	143	133.5 Å²	133.5	77%	0.765	76%	0.761	S	S	*	*			trans	66	93	169.9	-62.9	2.3	0	0	0	122.1
1019	D	28.6	Very low	29.1	Very low	166 Å²	166	129.5 Å²	129.5	89%	0.888	75%	0.752	S	S	*	*				50.7	134.6	127.6	-67.1	-5	0	0	0	123.7
1020	G	28.9	Very low	29.1	Very low	74 Å²	74	132.4 Å²	132.4	76%	0.763	75%	0.752	S	S	*	*			trans	142.4	95.7	157.6	0	0	0	0	0	115.6
1021	D	27.4	Very low	29.2	Very low	170 Å²	170	136.5 Å²	136.5	91%	0.909	75%	0.753	S	S	*	*			trans	-37.8	127.7	-176.9	-70.6	-56.8	0	0	0	117.9
1022	A	26.3	Very low	29	Very low	91 Å²	91	135.9 Å²	135.9	75%	0.752	75%	0.747	S	S	*	*			trans	-141.3	26.6	168.5	0	0	0	0	0	113.8	D1024	A1022-D1024 PolarHBondContact O-N 2.77Å
1023	N	26.8	Very low	28.8	Very low	164 Å²	164	141 Å²	141	88%	0.877	76%	0.755	S	S	*	*			trans	-99.9	56.5	-175.8	-87.7	-35.9	0	0	0	113.9
1024	D	31.8	Very low	28.7	Very low	126 Å²	126	139.9 Å²	139.9	67%	0.674	75%	0.753	S	S	*	*	S	Bend	trans	-145.7	-11.8	169.2	-126.9	-19.9	0	0	0	115.3	A1022 F1026 A1027	A1022-D1024 PolarHBondContact O-N 2.77Å; D1024-F1026 VanDerWaalsContact C-N 3.31Å; D1024-F1026 PolarHBondContact O-N 3.49Å; D1024-A1027 PolarHBondContact O-N 3.21Å
1025	L	29.2	Very low	28.5	Very low	127 Å²	127	139.1 Å²	139.1	67%	0.665	76%	0.755	S	S	*	*	H	α-helix	trans	-68.5	-26.7	-174.8	-169.4	58.1	0	0	0	113.8
1026	F	29.3	Very low	28.4	Very low	183 Å²	183	143.4 Å²	143.4	80%	0.803	76%	0.763	S	S	*	*	H	α-helix	trans	-84.4	-14	177.8	-96.8	-88.3	0	0	0	114.6	D1024	D1024-F1026 VanDerWaalsContact C-N 3.31Å; D1024-F1026 PolarHBondContact O-N 3.49Å
1027	A	32.5	Very low	28.3	Very low	67 Å²	67	144.4 Å²	144.4	55%	0.554	77%	0.767	S	S	*	*	H	α-helix	trans	-79	-24.8	175.6	0	0	0	0	0	112.6	D1024	D1024-A1027 PolarHBondContact O-N 3.21Å
1028	L	30.5	Very low	28.1	Very low	124 Å²	124	143.1 Å²	143.1	65%	0.649	77%	0.766	S	S	*	*	H	α-helix	trans	-82.6	-37.7	-175.4	-169.4	60.5	0	0	0	113.2	Q1030 R1031	L1028-Q1030 VanDerWaalsContact C-N 3.28Å; L1028-Q1030 PolarHBondContact O-N 3.49Å; L1028-R1031 PolarHBondContact O-N 3.12Å
1029	I	31.6	Very low	27.8	Very low	112 Å²	112	144.5 Å²	144.5	57%	0.574	77%	0.768	S	S	*	*	H	α-helix	trans	-67.6	-27.7	-174.3	-66	172.5	0	0	0	112.2	R1031	I1029-R1031 VanDerWaalsContact C-N 3.25Å; I1029-R1031 PolarHBondContact O-N 2.75Å
1030	Q	29.1	Very low	27.6	Very low	184 Å²	184	144.7 Å²	144.7	86%	0.86	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	7.2	-178.6	-133.8	175.1	13.7	0	0	114.6	L1028	L1028-Q1030 VanDerWaalsContact C-N 3.28Å; L1028-Q1030 PolarHBondContact O-N 3.49Å
1031	R	27.6	Very low	27.4	Very low	215 Å²	215	152.5 Å²	152.5	81%	0.811	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.3	9.8	-175.9	-146.1	170.3	-172.6	145.7	1	115.1	L1028 I1029	L1028-R1031 PolarHBondContact O-N 3.12Å; I1029-R1031 VanDerWaalsContact C-N 3.25Å; I1029-R1031 PolarHBondContact O-N 2.75Å
1032	V	28.3	Very low	27.3	Very low	114 Å²	114	149.6 Å²	149.6	69%	0.691	76%	0.762	S	S	*	*	S	Bend	trans	-110.9	-8.6	-175.4	-177.9	0	0	0	0	113.1	S1034	V1032-S1034 PolarHBondContact O-N 3.49Å
1033	Q	25.8	Very low	27.2	Very low	194 Å²	194	154.4 Å²	154.4	91%	0.907	77%	0.768	S	S	*	*	S	Bend	trans	-94.2	34.9	-178.5	-66.9	-162.3	-23.7	0	0	114.8
1034	S	23.5	Very low	27.5	Very low	94 Å²	94	151.6 Å²	151.6	66%	0.657	76%	0.759	S	S	*	*	S	Bend	trans	-143.1	46.2	-175.3	69.5	0	0	0	0	116	V1032	V1032-S1034 PolarHBondContact O-N 3.49Å
1035	T	25.4	Very low	27.5	Very low	140 Å²	140	151.4 Å²	151.4	86%	0.859	76%	0.764	S	S	*	*	S	Bend	trans	-159.2	45.8	166.2	33.9	0	0	0	0	113.4
1036	R	25	Very low	27.3	Very low	206 Å²	206	156.8 Å²	156.8	78%	0.777	79%	0.793	S	S	*	*			trans	-154.2	62.6	171.1	-145.1	167.9	-175.3	169	-1.1	115.3
1037	L	25.6	Very low	27.2	Very low	163 Å²	163	155.5 Å²	155.5	85%	0.853	79%	0.792	S	S	*	*			trans	-149.2	160.9	165.9	-107.4	161.4	0	0	0	109.7
1038	D	26.8	Very low	27	Very low	149 Å²	149	160.2 Å²	160.2	80%	0.797	81%	0.805	S	S	*	*			trans	77	73.8	173.8	-56.5	-7.3	0	0	0	118.2
1039	E	23.8	Very low	26.8	Very low	172 Å²	172	162.2 Å²	162.2	80%	0.804	81%	0.813	S	S	*	*			trans	-87.6	158.8	130.9	-74.2	-165.5	156.6	0	0	109.9
1040	Q	25	Very low	26.5	Very low	169 Å²	169	165.1 Å²	165.1	79%	0.79	83%	0.827	S	S	*	*			trans	66.7	83.6	167.6	-52.1	-175.5	23.2	0	0	118
1041	R	24.9	Very low	26.3	Very low	238 Å²	238	163.9 Å²	163.9	90%	0.898	83%	0.825	S	S	*	*				-166.5	141.3	122.9	-106.2	153.8	-163.2	-113.6	-0.1	115.5
1042	C	25.4	Very low	26.2	Very low	110 Å²	110	160.5 Å²	160.5	74%	0.743	83%	0.826	S	S	*	*			trans	67.2	100.6	152.6	-59.5	0	0	0	0	120.5
1043	H	24.2	Very low	26.1	Very low	191 Å²	191	163.9 Å²	163.9	88%	0.884	84%	0.836	S	S	*	*			trans	-149.2	158.2	138.7	-88.7	-68.2	0	0	0	108.9
1044	P	32.3	Very low	26.1	Very low	106 Å²	106	161.5 Å²	161.5	69%	0.688	83%	0.831	S	S	*	*			cis	-115.7	-163.7	-21.3	41.9	-26.4	0	0	0	109.7
1045	P	31.2	Very low	26.3	Very low	121 Å²	121	167.2 Å²	167.2	79%	0.786	85%	0.845	S	S	*	*				-144.7	121.8	69.3	35.4	-15	0	0	0	115.7
1046	L	26.5	Very low	26.4	Very low	241 Å²	241	169.6 Å²	169.6	100%	1.262	84%	0.844	S	S	*	*				-167.9	0	127.6	-107.1	166.9	0	0	0	109.5

Retrieved 1,046 of 1,046 residues in 174.1 ms (Link to these results)

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