A0A087XL90_POEFO Loading...

Potassium voltage-gated channel, subfamily H (eag-related), member 5a

AlphaFold DB , UniProt , Accession A0A087XL90, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 986 aa.

						>A0A087XL90_POEFO|A0A087XL90
MHGGKRGLVAPQNTFLENIVRRSSETSFLLGNAQILDWPVVYSNDGFCKLSGYHRAEVMHKSSTCNFMYGDLTDKKTIDKIRQTFDSHESNFHEVLLYTKNRTPIWLYMQIAPIRNENDKVVLFLCTFRDITLFKQPIEDDSARGWTKFARLTRALTNNRNLVQQLAPLNKPEVSHKPSRLVEALQLGSDILPQYKQEAPKTPPHIILHYCTFKTTWDWVILILTFYTAIMVPYNVSFRTKHNNLAWLVVDSVVDVIFLIDIVLNFHTTFVGPAGEVISDAKLIRMNYLKTWFVIDLLSCLPYDIINAFENVEEGLSSLFSSLKVIRLLRLGRVARKLDHYLEYGAAVLVLLVCVFGLVAHWLACIWYSIGDYEVIDETTNSIKTDSWLYQLAMSIGKPYRYNASGTGRWEGGPGKDTLYVSSLYFTMTSLTTIGFGNIAPTTDGEKIFSVAMMMVGSLLYATIFGNVTTIFQQMYTNTNRYHEMLNNVRDFLKLYQVPKGLSERVMDFIVSTWAMSKGIDTDKVLSICPKDMRADICVHLNRQVFNDHPAFRLASDGCLRSLAVEFQTTHCAPGDLIFHIGESVDTLCFVVSGSLEVIQDDEVIAILGKGDVFGDVFWKETTPARACANVRALTYCDLHVIRREALMRVLDFYTAFANSFSRNLILTCNLRKRVIFRKIADVKREQERQRSEVALSIPEDHPVRKLFQRFRQQRDSQAPGETHPFSDQNCIQMEPQHHRHTDSNSCKAGSGGRRGSATSPHQECNDSGKAEQLCTQVTMELRPSQRSLKPAQSGGTGTGGASSRGGRGWARFKSAVSAEPALPAVEQEKDTQKAEECPNAPQASEEPAASKRDAGEETSVLHKTDSCDSGITKSDLRIDRAGDSRSSFERSPMEKSPLHSFLQPVSEQSLLQTTLHEAKLELKGDIRKLSSRLSLLESQVSEVLRLLSSKRRLSLPPTSSKARIKSHDAVASSRVVAPKAEEESL
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.1	Very low	49.3	Very low	226 Å²	226	92.4 Å²	92.4	100%	1.113	54%	0.541	S	S	*	.				0	135.7	0	-81	177	162.9	0	0	108.4	G3	M1-G3 PolarHBondContact O-N 3.25Å
2	H	30.9	Very low	50.5	Low	107 Å²	107	92.8 Å²	92.8	50%	0.495	53%	0.534	S	S	.	.			trans	-75.1	39.5	-176.6	-63.4	105.6	0	0	0	114.6	Y344	H2-Y344 PolarHBondContact CE1-OH 2.99Å; H2-Y344 AromaticContact NE2-CZ 3.96Å; H2-Y344 PolarHBondContact NE2-OH 3.16Å
3	G	36.5	Very low	52.2	Low	53 Å²	53	89.8 Å²	89.8	55%	0.546	52%	0.515	S	S	.	.			trans	-77.9	-51.9	-169.1	0	0	0	0	0	114.3	M1 K5	M1-G3 PolarHBondContact O-N 3.25Å; G3-K5 VanDerWaalsContact C-N 3.29Å; G3-K5 PolarHBondContact O-N 3.29Å; G3-K5 VanDerWaalsContact O-N 3.14Å
4	G	38.8	Very low	53.7	Low	80 Å²	80	86.4 Å²	86.4	83%	0.825	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-13	-163.8	0	0	0	0	0	117
5	K	52	Low	55.3	Low	101 Å²	101	81.3 Å²	81.3	44%	0.439	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120	14.6	-171	-68.2	-171.2	175.8	121.1	0	115.5	G3 G7 H209 D339 E343	G3-K5 VanDerWaalsContact C-N 3.29Å; G3-K5 PolarHBondContact O-N 3.29Å; G3-K5 VanDerWaalsContact O-N 3.14Å; K5-G7 VanDerWaalsContact C-N 3.3Å; K5-H209 PolarHBondContact O-NE2 2.9Å; K5-D339 PolarHBondContact NZ-O 2.91Å; K5-E343 WeakPolarHBondContact CD-OE1 3.43Å; K5-E343 WeakPolarHBondContact CE-OE1 3.41Å; K5-E343 IonicContact NZ-OE1 2.73Å; K5-E343 PolarHBondContact NZ-OE1 3.45Å
6	R	54.3	Low	56.7	Low	133 Å²	133	79.9 Å²	79.9	50%	0.502	46%	0.457	S	S	.	.	S	Bend	trans	-83.6	-6.3	169.2	-67.9	-177.1	173.1	-172.6	-5	113.6	V9 H209 Y210 V277	R6-V9 WeakPolarHBondContact O-CG2 3.33Å; R6-H209 PolarHBondContact O-CE1 2.9Å; R6-H209 PolarHBondContact O-NE2 3.35Å; R6-Y210 HydrophobicContact CB-CD1 4.19Å; R6-Y210 HydrophobicContact CB-CG 4.46Å; R6-Y210 HydrophobicContact CG-CD1 4.44Å; R6-Y210 HydrophobicContact CG-CG 4.21Å; R6-V277 WeakPolarHBondContact O-CG2 3.3Å
7	G	54	Low	57.8	Low	18 Å²	18	82.8 Å²	82.8	19%	0.186	47%	0.465	C	S	.	.			trans	68.2	-179.5	-159.1	0	0	0	0	0	112.2	K5 V9 G275	K5-G7 VanDerWaalsContact C-N 3.3Å; G7-V9 PolarHBondContact O-N 2.64Å; G7-G275 CarbonylContact C-O 3.52Å; G7-G275 WeakPolarHBondContact CA-O 3.46Å
8	L	56.4	Low	58.8	Low	129 Å²	129	80 Å²	80	68%	0.675	45%	0.449	S	S	*	.	S	Bend	trans	-74.7	61.3	178.4	-69.1	171.7	0	0	0	112.1	G275	L8-G275 PolarHBondContact N-O 3.46Å
9	V	59.6	Low	59.8	Low	41 Å²	41	76.3 Å²	76.3	25%	0.248	43%	0.428	C	S	.	.			trans	-106.4	80.9	-179.5	-169.5	0	0	0	0	111.1	R6 G7 P200 Y210 V277	R6-V9 WeakPolarHBondContact O-CG2 3.33Å; G7-V9 PolarHBondContact O-N 2.64Å; V9-P200 HydrophobicContact CG1-CG 3.81Å; V9-Y210 HydrophobicContact CB-CE1 4.48Å; V9-Y210 HydrophobicContact CG2-CE1 4.17Å; V9-V277 HydrophobicContact CG2-CB 3.99Å; V9-V277 HydrophobicContact CG2-CG2 3.34Å
10	A	62.7	Low	60.6	Low	49 Å²	49	75.6 Å²	75.6	41%	0.405	43%	0.425	S	S	.	.			trans	-86.2	155.5	154.7	0	0	0	0	0	109.5	Q12	A10-Q12 HydrophobicContact CB-CG 4.32Å; A10-Q12 PolarHBondContact O-N 2.87Å
11	P	62.9	Low	61.1	Low	79 Å²	79	80.6 Å²	80.6	51%	0.513	44%	0.438	S	S	.	.			trans	-60.1	131.9	157	28.9	-33.1	0	0	0	108.3	E198	P11-E198 WeakPolarHBondContact CA-O 3.14Å
12	Q	64.4	Low	62.8	Low	98 Å²	98	75.6 Å²	75.6	46%	0.458	41%	0.406	S	S	.	.			trans	-136.4	134.7	-171.2	-75.9	177.5	4.3	0	0	110.3	A10 T14 E198	A10-Q12 HydrophobicContact CB-CG 4.32Å; A10-Q12 PolarHBondContact O-N 2.87Å; Q12-T14 HydrophobicContact CB-CG2 3.95Å; Q12-T14 PolarHBondContact O-N 3.4Å; Q12-E198 PolarHBondContact N-O 2.85Å; Q12-E198 VanDerWaalsContact N-O 3.09Å
13	N	72.6	Confident	64.5	Low	54 Å²	54	70.7 Å²	70.7	29%	0.289	38%	0.384	S	S	.	.			trans	-78.6	67.4	175.2	-164	-5.1	0	0	0	110.9	F15 Y195 Q197	N13-F15 PolarHBondContact O-N 2.99Å; N13-F15 WeakPolarHBondContact OD1-CB 3.46Å; N13-Y195 WeakPolarHBondContact ND2-CE2 3.44Å; N13-Q197 HydrophobicContact CB-CG 4.42Å
14	T	72.2	Confident	65.6	Low	41 Å²	41	72.8 Å²	72.8	25%	0.252	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	14.8	177.4	59.8	0	0	0	0	113.1	Q12 L16 E17 N18	Q12-T14 HydrophobicContact CB-CG2 3.95Å; Q12-T14 PolarHBondContact O-N 3.4Å; T14-L16 PolarHBondContact O-N 3.28Å; T14-E17 PolarHBondContact O-N 3.25Å; T14-N18 WeakPolarHBondContact O-CB 3.49Å; T14-N18 PolarHBondContact O-N 2.92Å; T14-N18 PolarHBondContact O-ND2 2.99Å; T14-N18 PolarHBondContact OG1-ND2 2.84Å; T14-N18 VanDerWaalsContact OG1-ND2 3.11Å
15	F	78.3	Confident	66.9	Low	10 Å²	10	75.8 Å²	75.8	4%	0.044	38%	0.383	C	S	.	.	H	α-helix	trans	-50.7	-52.1	177.8	167.6	-98.5	0	0	0	112.7	N13 E17 N18 I19 L30 I114 L123 P193 Y195	N13-F15 PolarHBondContact O-N 2.99Å; N13-F15 WeakPolarHBondContact OD1-CB 3.46Å; F15-E17 PolarHBondContact O-N 3.39Å; F15-N18 PolarHBondContact O-N 3.37Å; F15-I19 HydrophobicContact CD1-CD1 4.28Å; F15-I19 HydrophobicContact CD2-CD1 4.34Å; F15-I19 HydrophobicContact CE1-CD1 3.74Å; F15-I19 HydrophobicContact CE2-CD1 3.8Å; F15-I19 HydrophobicContact CZ-CD1 3.47Å; F15-I19 VanDerWaalsContact CZ-CD1 3.47Å; F15-I19 WeakPolarHBondContact O-CG1 3.44Å; F15-I19 PolarHBondContact O-N 3.22Å; F15-L30 HydrophobicContact CE1-CD1 3.88Å; F15-L30 HydrophobicContact CE1-CD2 4.25Å; F15-L30 HydrophobicContact CZ-CD2 4.2Å; F15-I114 HydrophobicContact CE2-CD1 3.81Å; F15-I114 HydrophobicContact CE2-CG2 3.57Å; F15-I114 HydrophobicContact CZ-CD1 3.65Å; F15-I114 HydrophobicContact CZ-CG2 3.86Å; F15-L123 HydrophobicContact CE1-CD1 3.78Å; F15-L123 HydrophobicContact CZ-CD1 3.83Å; F15-P193 HydrophobicContact CD2-CB 4.13Å; F15-P193 HydrophobicContact CD2-CG 3.97Å; F15-P193 HydrophobicContact CE2-CG 4.15Å; F15-P193 WeakPolarHBondContact CE2-O 3.32Å; F15-Y195 HydrophobicContact CB-CD2 4.48Å; F15-Y195 AromaticContact CD1-CD2 3.79Å; F15-Y195 HydrophobicContact CD1-CD2 3.79Å; F15-Y195 HydrophobicContact CD1-CE2 4.26Å; F15-Y195 HydrophobicContact CD2-CD2 4.33Å; F15-Y195 HydrophobicContact CE1-CD2 4.01Å; F15-Y195 AromaticContact CG-CD2 3.96Å; F15-Y195 HydrophobicContact CG-CD2 3.96Å; F15-Y195 HydrophobicContact CZ-CD2 4.36Å
16	L	77.6	Confident	68.1	Low	60 Å²	60	72.3 Å²	72.3	31%	0.314	37%	0.37	S	S	.	.	H	α-helix	trans	-66.4	-41.5	-177	-175.7	62.9	0	0	0	111.6	T14 I19 V20 F28 L30 Y42	T14-L16 PolarHBondContact O-N 3.28Å; L16-I19 PolarHBondContact O-N 2.81Å; L16-V20 HydrophobicContact CD1-CG2 4.45Å; L16-V20 HydrophobicContact CG-CG2 4.48Å; L16-V20 WeakPolarHBondContact O-CG2 3.35Å; L16-V20 PolarHBondContact O-N 3.47Å; L16-F28 HydrophobicContact CD1-CE2 4.31Å; L16-F28 HydrophobicContact CD1-CZ 4.19Å; L16-L30 HydrophobicContact CD1-CD1 3.92Å; L16-Y42 HydrophobicContact CD1-CD1 3.88Å; L16-Y42 HydrophobicContact CD1-CE1 3.74Å; L16-Y42 HydrophobicContact CD1-CE2 4.39Å; L16-Y42 HydrophobicContact CD1-CG 4.29Å; L16-Y42 HydrophobicContact CD2-CD2 4.19Å; L16-Y42 HydrophobicContact CD2-CE2 3.89Å
17	E	75.7	Confident	69.7	Low	128 Å²	128	66.7 Å²	66.7	60%	0.598	35%	0.351	S	S	*	.	H	α-helix	trans	-64.1	-39.9	176.3	-59.7	-179.6	149.9	0	0	111.7	T14 F15 I19 V20 R21	T14-E17 PolarHBondContact O-N 3.25Å; F15-E17 PolarHBondContact O-N 3.39Å; E17-I19 VanDerWaalsContact C-N 3.35Å; E17-V20 PolarHBondContact O-N 2.73Å; E17-R21 WeakPolarHBondContact O-CB 3.42Å; E17-R21 PolarHBondContact O-N 3.33Å
18	N	75.9	Confident	71.4	Confident	33 Å²	33	65.9 Å²	65.9	18%	0.176	34%	0.343	C	S	.	.	H	α-helix	trans	-67.9	-32.7	176	-81.7	-64.6	0	0	0	112.7	T14 F15 R21 R22	T14-N18 WeakPolarHBondContact O-CB 3.49Å; T14-N18 PolarHBondContact O-N 2.92Å; T14-N18 PolarHBondContact O-ND2 2.99Å; T14-N18 PolarHBondContact OG1-ND2 2.84Å; T14-N18 VanDerWaalsContact OG1-ND2 3.11Å; F15-N18 PolarHBondContact O-N 3.37Å; N18-R21 PolarHBondContact OD1-NH2 3.47Å; N18-R22 WeakPolarHBondContact O-CB 3.3Å; N18-R22 VanDerWaalsContact O-CD 3.26Å; N18-R22 WeakPolarHBondContact O-CD 3.49Å; N18-R22 WeakPolarHBondContact O-CG 3.32Å; N18-R22 PolarHBondContact O-N 2.93Å
19	I	76.8	Confident	73.1	Confident	9 Å²	9	59.7 Å²	59.7	5%	0.046	31%	0.31	C	S	.	.	H	α-helix	trans	-66.6	-59.4	168.6	-65.2	174	0	0	0	109.1	F15 L16 E17 R21 R22 S23 F28 L30 I114 L125 P193	F15-I19 HydrophobicContact CD1-CD1 4.28Å; F15-I19 HydrophobicContact CD2-CD1 4.34Å; F15-I19 HydrophobicContact CE1-CD1 3.74Å; F15-I19 HydrophobicContact CE2-CD1 3.8Å; F15-I19 HydrophobicContact CZ-CD1 3.47Å; F15-I19 VanDerWaalsContact CZ-CD1 3.47Å; F15-I19 WeakPolarHBondContact O-CG1 3.44Å; F15-I19 PolarHBondContact O-N 3.22Å; L16-I19 PolarHBondContact O-N 2.81Å; E17-I19 VanDerWaalsContact C-N 3.35Å; I19-R21 VanDerWaalsContact C-N 3.29Å; I19-R21 PolarHBondContact O-N 3.12Å; I19-R22 CarbonylContact O-C 3.58Å; I19-R22 PolarHBondContact O-N 3.01Å; I19-S23 VanDerWaalsContact O-CB 3.23Å; I19-S23 WeakPolarHBondContact O-CB 3.3Å; I19-S23 PolarHBondContact O-N 3.48Å; I19-S23 PolarHBondContact O-OG 3.14Å; I19-S23 VanDerWaalsContact O-OG 3.06Å; I19-F28 HydrophobicContact CB-CZ 4.38Å; I19-F28 HydrophobicContact CG2-CD1 4.18Å; I19-F28 HydrophobicContact CG2-CD2 4.2Å; I19-F28 HydrophobicContact CG2-CE1 3.74Å; I19-F28 HydrophobicContact CG2-CE2 3.76Å; I19-F28 HydrophobicContact CG2-CG 4.4Å; I19-F28 HydrophobicContact CG2-CZ 3.51Å; I19-L30 HydrophobicContact CD1-CD2 4.14Å; I19-I114 HydrophobicContact CD1-CD1 4.38Å; I19-L125 HydrophobicContact CD1-CD2 4.4Å; I19-L125 HydrophobicContact CG2-CD1 4.31Å; I19-P193 HydrophobicContact CD1-CG 4.39Å; I19-P193 HydrophobicContact CG1-CG 3.84Å
20	V	77	Confident	74.7	Confident	62 Å²	62	58.1 Å²	58.1	38%	0.376	30%	0.3	S	S	.	.	H	α-helix	trans	-54.2	-40.9	-176.5	171.2	0	0	0	0	112.8	L16 E17 R22 S23 S24 F28	L16-V20 HydrophobicContact CD1-CG2 4.45Å; L16-V20 HydrophobicContact CG-CG2 4.48Å; L16-V20 WeakPolarHBondContact O-CG2 3.35Å; L16-V20 PolarHBondContact O-N 3.47Å; E17-V20 PolarHBondContact O-N 2.73Å; V20-R22 VanDerWaalsContact C-N 3.31Å; V20-R22 PolarHBondContact O-N 2.9Å; V20-S23 PolarHBondContact O-N 2.96Å; V20-S24 WeakPolarHBondContact O-CA 3.31Å; V20-S24 PolarHBondContact O-N 3.23Å; V20-F28 HydrophobicContact CG2-CE1 4.05Å; V20-F28 HydrophobicContact CG2-CZ 3.86Å
21	R	70.9	Confident	76.2	Confident	182 Å²	182	55.8 Å²	55.8	69%	0.687	28%	0.281	S	S	*	.	H	α-helix	trans	-66.2	-28.8	177.9	-177.2	172.1	64.8	124.4	-5.3	113.5	E17 N18 I19	E17-R21 WeakPolarHBondContact O-CB 3.42Å; E17-R21 PolarHBondContact O-N 3.33Å; N18-R21 PolarHBondContact OD1-NH2 3.47Å; I19-R21 VanDerWaalsContact C-N 3.29Å; I19-R21 PolarHBondContact O-N 3.12Å
22	R	70.2	Confident	77.6	Confident	120 Å²	120	53.7 Å²	53.7	45%	0.453	27%	0.265	S	S	.	.	H	α-helix	trans	-94.1	-24.5	177.4	-66.7	172.2	179.7	-180	-4.1	112.9	N18 I19 V20 I191	N18-R22 WeakPolarHBondContact O-CB 3.3Å; N18-R22 VanDerWaalsContact O-CD 3.26Å; N18-R22 WeakPolarHBondContact O-CD 3.49Å; N18-R22 WeakPolarHBondContact O-CG 3.32Å; N18-R22 PolarHBondContact O-N 2.93Å; I19-R22 CarbonylContact O-C 3.58Å; I19-R22 PolarHBondContact O-N 3.01Å; V20-R22 VanDerWaalsContact C-N 3.31Å; V20-R22 PolarHBondContact O-N 2.9Å; R22-I191 PolarHBondContact NH1-O 3.31Å
23	S	65.6	Low	79	Confident	4 Å²	4	49.4 Å²	49.4	3%	0.028	25%	0.247	C	C	.	.	S	Bend	trans	-107.4	22.3	-173.5	84.1	0	0	0	0	112.2	I19 V20 E25 T26 F28	I19-S23 VanDerWaalsContact O-CB 3.23Å; I19-S23 WeakPolarHBondContact O-CB 3.3Å; I19-S23 PolarHBondContact O-N 3.48Å; I19-S23 PolarHBondContact O-OG 3.14Å; I19-S23 VanDerWaalsContact O-OG 3.06Å; V20-S23 PolarHBondContact O-N 2.96Å; S23-E25 PolarHBondContact O-N 3.39Å; S23-T26 VanDerWaalsContact CA-OG1 3.25Å; S23-T26 WeakPolarHBondContact CA-OG1 3.48Å; S23-T26 VanDerWaalsContact CB-OG1 3.25Å; S23-T26 WeakPolarHBondContact CB-OG1 3.5Å; S23-T26 PolarHBondContact O-N 2.95Å; S23-T26 PolarHBondContact O-OG1 2.95Å; S23-F28 VanDerWaalsContact OG-CD1 3.3Å; S23-F28 WeakPolarHBondContact OG-CD1 3.4Å; S23-F28 WeakPolarHBondContact OG-CE1 3.36Å
24	S	60.8	Low	79.8	Confident	98 Å²	98	53 Å²	53	69%	0.685	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-29.8	-168.8	52.3	0	0	0	0	114	V20	V20-S24 WeakPolarHBondContact O-CA 3.31Å; V20-S24 PolarHBondContact O-N 3.23Å
25	E	65.4	Low	80.7	Confident	143 Å²	143	55.2 Å²	55.2	67%	0.668	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	1.8	176.3	-60.3	-175.4	165.4	0	0	113.5	S23 N161	S23-E25 PolarHBondContact O-N 3.39Å; E25-N161 PolarHBondContact OE1-ND2 3.48Å; E25-N161 PolarHBondContact OE2-ND2 3.26Å
26	T	76.7	Confident	81.2	Confident	27 Å²	27	61.9 Å²	61.9	17%	0.166	31%	0.307	C	S	.	.	S	Bend	trans	-124.9	142.6	-170	53.7	0	0	0	0	113.4	S23 N44	S23-T26 VanDerWaalsContact CA-OG1 3.25Å; S23-T26 WeakPolarHBondContact CA-OG1 3.48Å; S23-T26 VanDerWaalsContact CB-OG1 3.25Å; S23-T26 WeakPolarHBondContact CB-OG1 3.5Å; S23-T26 PolarHBondContact O-N 2.95Å; S23-T26 PolarHBondContact O-OG1 2.95Å; T26-N44 PolarHBondContact O-ND2 3.35Å
27	S	87.8	Confident	81.7	Confident	16 Å²	16	63.6 Å²	63.6	11%	0.112	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	137.8	173.9	-63.9	0	0	0	0	110.7	N44 G46 F47 T127 F128	S27-N44 WeakPolarHBondContact CA-OD1 3.41Å; S27-G46 PolarHBondContact OG-O 2.84Å; S27-F47 PolarHBondContact OG-N 2.87Å; S27-T127 CarbonylContact O-C 3.42Å; S27-T127 WeakPolarHBondContact O-CA 3.21Å; S27-F128 PolarHBondContact O-N 3.38Å
28	F	90.1	Very high	82.5	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	158.9	175	77.5	-92.8	0	0	0	113.8	L16 I19 V20 S23 L30 Y42 N44 L125 C126 T127	L16-F28 HydrophobicContact CD1-CE2 4.31Å; L16-F28 HydrophobicContact CD1-CZ 4.19Å; I19-F28 HydrophobicContact CB-CZ 4.38Å; I19-F28 HydrophobicContact CG2-CD1 4.18Å; I19-F28 HydrophobicContact CG2-CD2 4.2Å; I19-F28 HydrophobicContact CG2-CE1 3.74Å; I19-F28 HydrophobicContact CG2-CE2 3.76Å; I19-F28 HydrophobicContact CG2-CG 4.4Å; I19-F28 HydrophobicContact CG2-CZ 3.51Å; V20-F28 HydrophobicContact CG2-CE1 4.05Å; V20-F28 HydrophobicContact CG2-CZ 3.86Å; S23-F28 VanDerWaalsContact OG-CD1 3.3Å; S23-F28 WeakPolarHBondContact OG-CD1 3.4Å; S23-F28 WeakPolarHBondContact OG-CE1 3.36Å; F28-L30 HydrophobicContact CD2-CG 4.38Å; F28-L30 HydrophobicContact CE2-CD1 4.35Å; F28-L30 HydrophobicContact CE2-CG 4.15Å; F28-Y42 AromaticContact CE2-CD1 3.8Å; F28-Y42 HydrophobicContact CE2-CD1 3.8Å; F28-Y42 AromaticContact CE2-CE1 3.7Å; F28-Y42 HydrophobicContact CE2-CE1 3.7Å; F28-Y42 HydrophobicContact CZ-CD1 4.27Å; F28-Y42 AromaticContact CZ-CE1 3.69Å; F28-Y42 HydrophobicContact CZ-CE1 3.69Å; F28-N44 HydrophobicContact CD1-CB 3.78Å; F28-N44 VanDerWaalsContact CD1-ND2 3.3Å; F28-N44 WeakPolarHBondContact CD1-ND2 3.34Å; F28-N44 HydrophobicContact CE1-CB 3.52Å; F28-N44 HydrophobicContact CG-CB 4.4Å; F28-N44 HydrophobicContact CZ-CB 3.95Å; F28-N44 PolarHBondContact N-OD1 3.29Å; F28-N44 PolarHBondContact O-N 3.28Å; F28-N44 PolarHBondContact O-OD1 3.37Å; F28-L125 HydrophobicContact CB-CD1 3.87Å; F28-L125 HydrophobicContact CD2-CD1 3.54Å; F28-L125 HydrophobicContact CE2-CD1 4.34Å; F28-L125 HydrophobicContact CG-CD1 3.93Å; F28-C126 CarbonylContact C-O 3.49Å; F28-C126 VanDerWaalsContact CA-O 3.24Å; F28-C126 WeakPolarHBondContact CA-O 3.32Å; F28-C126 WeakPolarHBondContact CB-O 3.26Å; F28-T127 HydrophobicContact CB-CG2 4.16Å
29	L	92.6	Very high	83.5	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	161.4	165.1	68.8	77.3	0	0	0	111.2	V40 Y42 F47 C126 F128	L29-V40 HydrophobicContact CB-CG1 4.08Å; L29-V40 HydrophobicContact CD1-CG2 4.08Å; L29-V40 HydrophobicContact CD2-CG2 3.95Å; L29-V40 HydrophobicContact CG-CG2 4.46Å; L29-Y42 CarbonylContact C-O 3.6Å; L29-Y42 VanDerWaalsContact CA-O 3.27Å; L29-Y42 WeakPolarHBondContact CA-O 3.35Å; L29-Y42 WeakPolarHBondContact CB-O 3.36Å; L29-F47 HydrophobicContact CD2-CE2 4.36Å; L29-F47 HydrophobicContact CD2-CZ 4.33Å; L29-C126 HydrophobicContact CD1-CB 3.74Å; L29-C126 HydrophobicContact CG-CB 3.93Å; L29-C126 PolarHBondContact N-O 2.92Å; L29-C126 PolarHBondContact O-N 3.29Å; L29-F128 HydrophobicContact CD2-CE2 3.77Å; L29-F128 HydrophobicContact CD2-CZ 3.84Å; L29-F128 HydrophobicContact CG-CE2 3.86Å; L29-F128 HydrophobicContact CG-CZ 4.27Å
30	L	92.7	Very high	84.4	Confident	7 Å²	7	58 Å²	58	4%	0.037	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	123.9	170	-65.4	168.7	0	0	0	108.9	F15 L16 I19 F28 V40 V41 Y42 I114 F124 L125	F15-L30 HydrophobicContact CE1-CD1 3.88Å; F15-L30 HydrophobicContact CE1-CD2 4.25Å; F15-L30 HydrophobicContact CZ-CD2 4.2Å; L16-L30 HydrophobicContact CD1-CD1 3.92Å; I19-L30 HydrophobicContact CD1-CD2 4.14Å; F28-L30 HydrophobicContact CD2-CG 4.38Å; F28-L30 HydrophobicContact CE2-CD1 4.35Å; F28-L30 HydrophobicContact CE2-CG 4.15Å; L30-V40 CarbonylContact O-C 3.58Å; L30-V40 WeakPolarHBondContact O-CA 3.45Å; L30-V41 HydrophobicContact CB-CG2 3.98Å; L30-V41 VanDerWaalsContact O-CG2 3.32Å; L30-V41 WeakPolarHBondContact O-CG2 3.32Å; L30-V41 PolarHBondContact O-N 3.49Å; L30-Y42 HydrophobicContact CD1-CD1 4.22Å; L30-Y42 HydrophobicContact CD1-CG 4.48Å; L30-Y42 PolarHBondContact N-O 3.48Å; L30-Y42 PolarHBondContact O-N 3.47Å; L30-I114 HydrophobicContact CD2-CD1 4.49Å; L30-F124 CarbonylContact C-O 3.6Å; L30-F124 VanDerWaalsContact CA-O 3.32Å; L30-F124 WeakPolarHBondContact CA-O 3.23Å; L30-L125 HydrophobicContact CD2-CB 4.04Å; L30-L125 HydrophobicContact CD2-CD1 3.91Å
31	G	93.4	Very high	85.2	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	150.9	171.3	0	0	0	0	0	112.2	P39 S63 L123 F124	G31-P39 WeakPolarHBondContact CA-O 3.44Å; G31-S63 WeakPolarHBondContact CA-OG 3.41Å; G31-L123 CarbonylContact O-C 3.53Å; G31-L123 WeakPolarHBondContact O-CA 3.36Å; G31-L123 WeakPolarHBondContact O-CD2 3.21Å; G31-F124 PolarHBondContact N-O 3.24Å; G31-F124 PolarHBondContact O-N 3.47Å
32	N	94.1	Very high	86.2	Confident	35 Å²	35	52.8 Å²	52.8	19%	0.187	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	129.1	166	-168.5	-47	0	0	0	110	Q34 I35 W38 P39 V41	N32-Q34 PolarHBondContact OD1-N 3.17Å; N32-I35 HydrophobicContact CB-CB 4.49Å; N32-I35 HydrophobicContact CB-CD1 4.17Å; N32-I35 HydrophobicContact CB-CG1 4.37Å; N32-I35 WeakPolarHBondContact ND2-CD1 3.5Å; N32-I35 PolarHBondContact OD1-N 3.09Å; N32-W38 WeakPolarHBondContact O-CA 3.28Å; N32-P39 HydrophobicContact CB-CG 4.28Å; N32-P39 PolarHBondContact N-O 3.37Å; N32-V41 HydrophobicContact CB-CG1 4.13Å
33	A	92.3	Very high	87.2	Confident	8 Å²	8	47.1 Å²	47.1	7%	0.066	25%	0.25	C	S	.	.	S	Bend	trans	-81.4	-19.2	-178.9	0	0	0	0	0	114	V121 V122 F124	A33-V121 HydrophobicContact CB-CG1 3.75Å; A33-V122 PolarHBondContact N-O 3.11Å; A33-F124 HydrophobicContact CB-CD2 3.59Å; A33-F124 HydrophobicContact CB-CE2 3.46Å; A33-F124 VanDerWaalsContact CB-CE2 3.46Å; A33-F124 HydrophobicContact CB-CZ 4.39Å
34	Q	89.9	Confident	88.4	Confident	129 Å²	129	47.7 Å²	47.7	60%	0.603	25%	0.253	S	S	*	.	S	Bend	trans	-104.4	-4	-168.5	-58.5	-177.1	-11.6	0	0	113.6	N32 V121	N32-Q34 PolarHBondContact OD1-N 3.17Å; Q34-V121 PolarHBondContact NE2-O 2.64Å
35	I	91.5	Very high	89.8	Confident	89 Å²	89	47.4 Å²	47.4	46%	0.456	24%	0.244	S	C	.	.	S	Bend	trans	-108.2	139.3	177.9	-57.7	173.5	0	0	0	108.8	N32 W38 P39	N32-I35 HydrophobicContact CB-CB 4.49Å; N32-I35 HydrophobicContact CB-CD1 4.17Å; N32-I35 HydrophobicContact CB-CG1 4.37Å; N32-I35 WeakPolarHBondContact ND2-CD1 3.5Å; N32-I35 PolarHBondContact OD1-N 3.09Å; I35-W38 PolarHBondContact O-N 3.48Å; I35-W38 VanDerWaalsContact O-N 3.12Å; I35-P39 HydrophobicContact CB-CG 3.88Å; I35-P39 HydrophobicContact CD1-CG 4.28Å; I35-P39 HydrophobicContact CG2-CG 3.76Å
36	L	87.9	Confident	90.8	Very high	149 Å²	149	41.8 Å²	41.8	78%	0.78	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.8	144.4	175.9	-159.1	85.2	0	0	0	111.9	W38 P39	L36-W38 PolarHBondContact O-N 3.14Å; L36-W38 VanDerWaalsContact O-N 3.08Å; L36-P39 WeakPolarHBondContact O-CD 3.32Å
37	D	87.8	Confident	91.5	Very high	96 Å²	96	40.6 Å²	40.6	51%	0.513	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	5.6	-175.4	-62.3	-53	0	0	0	116	S62	D37-S62 WeakPolarHBondContact O-CA 3.3Å; D37-S62 WeakPolarHBondContact O-CB 3.34Å; D37-S62 PolarHBondContact O-OG 2.96Å
38	W	94.1	Very high	91.6	Very high	30 Å²	30	40.7 Å²	40.7	11%	0.114	22%	0.218	C	C	.	.			trans	50.7	66.1	177.1	-49	-69.4	0	0	0	113.1	N32 I35 L36 S63 T64 R82 F85 D86 F124	N32-W38 WeakPolarHBondContact O-CA 3.28Å; I35-W38 PolarHBondContact O-N 3.48Å; I35-W38 VanDerWaalsContact O-N 3.12Å; L36-W38 PolarHBondContact O-N 3.14Å; L36-W38 VanDerWaalsContact O-N 3.08Å; W38-S63 VanDerWaalsContact O-CB 3.22Å; W38-S63 WeakPolarHBondContact O-CB 3.3Å; W38-S63 PolarHBondContact O-N 3.17Å; W38-S63 PolarHBondContact O-OG 3.33Å; W38-T64 HydrophobicContact CE3-CG2 3.99Å; W38-T64 HydrophobicContact CZ3-CG2 4.1Å; W38-R82 HydrophobicContact CH2-CG 4.25Å; W38-R82 HydrophobicContact CZ3-CG 4.43Å; W38-F85 HydrophobicContact CB-CD1 4.33Å; W38-F85 HydrophobicContact CB-CE1 4.48Å; W38-F85 HydrophobicContact CD2-CB 3.69Å; W38-F85 HydrophobicContact CD2-CD1 4.01Å; W38-F85 AromaticContact CD2-CG 3.94Å; W38-F85 HydrophobicContact CD2-CG 3.94Å; W38-F85 HydrophobicContact CE3-CB 3.78Å; W38-F85 HydrophobicContact CE3-CD1 4.31Å; W38-F85 HydrophobicContact CE3-CD2 4.27Å; W38-F85 AromaticContact CE3-CG 3.9Å; W38-F85 HydrophobicContact CE3-CG 3.9Å; W38-F85 HydrophobicContact CG-CB 4.46Å; W38-F85 AromaticContact CG-CD1 3.99Å; W38-F85 HydrophobicContact CG-CD1 3.99Å; W38-F85 HydrophobicContact CG-CG 4.42Å; W38-F85 HydrophobicContact CH2-CB 3.61Å; W38-F85 HydrophobicContact CZ2-CB 3.53Å; W38-F85 HydrophobicContact CZ3-CB 3.74Å; W38-F85 HydrophobicContact CZ3-CD2 4.44Å; W38-F85 HydrophobicContact CZ3-CG 4.21Å; W38-D86 WeakPolarHBondContact CH2-OD1 3.33Å; W38-D86 VanDerWaalsContact CZ2-OD1 3.31Å; W38-D86 WeakPolarHBondContact CZ2-OD1 3.32Å; W38-F124 AromaticContact CD1-CE2 3.95Å
39	P	95.6	Very high	91.6	Very high	22 Å²	22	49.2 Å²	49.2	14%	0.143	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-65.1	137.1	-172.4	26.7	-35	0	0	0	112	G31 N32 I35 L36 V41 K61	G31-P39 WeakPolarHBondContact CA-O 3.44Å; N32-P39 HydrophobicContact CB-CG 4.28Å; N32-P39 PolarHBondContact N-O 3.37Å; I35-P39 HydrophobicContact CB-CG 3.88Å; I35-P39 HydrophobicContact CD1-CG 4.28Å; I35-P39 HydrophobicContact CG2-CG 3.76Å; L36-P39 WeakPolarHBondContact O-CD 3.32Å; P39-V41 PolarHBondContact O-N 3.22Å; P39-K61 CarbonylContact C-O 3.55Å; P39-K61 WeakPolarHBondContact CA-O 3.4Å
40	V	95.4	Very high	91.4	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	119.2	175.2	-179.8	0	0	0	0	109.7	L29 L30 Y42 V58 H60 K61	L29-V40 HydrophobicContact CB-CG1 4.08Å; L29-V40 HydrophobicContact CD1-CG2 4.08Å; L29-V40 HydrophobicContact CD2-CG2 3.95Å; L29-V40 HydrophobicContact CG-CG2 4.46Å; L30-V40 CarbonylContact O-C 3.58Å; L30-V40 WeakPolarHBondContact O-CA 3.45Å; V40-Y42 WeakPolarHBondContact CG1-O 3.32Å; V40-V58 HydrophobicContact CG1-CG1 4.14Å; V40-H60 PolarHBondContact O-N 2.98Å; V40-K61 WeakPolarHBondContact CG2-O 3.47Å; V40-K61 PolarHBondContact N-O 3.22Å
41	V	93.7	Very high	91.2	Very high	76 Å²	76	50.7 Å²	50.7	46%	0.461	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-21.3	176.2	-63.5	0	0	0	0	112.8	L30 N32 P39 L123	L30-V41 HydrophobicContact CB-CG2 3.98Å; L30-V41 VanDerWaalsContact O-CG2 3.32Å; L30-V41 WeakPolarHBondContact O-CG2 3.32Å; L30-V41 PolarHBondContact O-N 3.49Å; N32-V41 HydrophobicContact CB-CG1 4.13Å; P39-V41 PolarHBondContact O-N 3.22Å; V41-L123 HydrophobicContact CG2-CD2 4Å
42	Y	92.8	Very high	91	Very high	60 Å²	60	52.7 Å²	52.7	24%	0.235	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	147.9	176.4	177.7	-89.5	0	0	0	111.5	L16 F28 L29 L30 V40 N44	L16-Y42 HydrophobicContact CD1-CD1 3.88Å; L16-Y42 HydrophobicContact CD1-CE1 3.74Å; L16-Y42 HydrophobicContact CD1-CE2 4.39Å; L16-Y42 HydrophobicContact CD1-CG 4.29Å; L16-Y42 HydrophobicContact CD2-CD2 4.19Å; L16-Y42 HydrophobicContact CD2-CE2 3.89Å; F28-Y42 AromaticContact CE2-CD1 3.8Å; F28-Y42 HydrophobicContact CE2-CD1 3.8Å; F28-Y42 AromaticContact CE2-CE1 3.7Å; F28-Y42 HydrophobicContact CE2-CE1 3.7Å; F28-Y42 HydrophobicContact CZ-CD1 4.27Å; F28-Y42 AromaticContact CZ-CE1 3.69Å; F28-Y42 HydrophobicContact CZ-CE1 3.69Å; L29-Y42 CarbonylContact C-O 3.6Å; L29-Y42 VanDerWaalsContact CA-O 3.27Å; L29-Y42 WeakPolarHBondContact CA-O 3.35Å; L29-Y42 WeakPolarHBondContact CB-O 3.36Å; L30-Y42 HydrophobicContact CD1-CD1 4.22Å; L30-Y42 HydrophobicContact CD1-CG 4.48Å; L30-Y42 PolarHBondContact N-O 3.48Å; L30-Y42 PolarHBondContact O-N 3.47Å; V40-Y42 WeakPolarHBondContact CG1-O 3.32Å; Y42-N44 HydrophobicContact CE1-CB 4.01Å
43	S	92.1	Very high	91	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	144.8	165.9	60.3	0	0	0	0	109.8	R55	S43-R55 VanDerWaalsContact O-CZ 3.25Å; S43-R55 PolarHBondContact O-NE 2.83Å; S43-R55 PolarHBondContact O-NH2 3.36Å
44	N	90.6	Very high	91	Very high	17 Å²	17	59 Å²	59	9%	0.091	31%	0.308	C	S	.	.			trans	-83.9	164.3	175.9	84.2	-22	0	0	0	112.2	T26 S27 F28 Y42 G46 F47 C48 R55	T26-N44 PolarHBondContact O-ND2 3.35Å; S27-N44 WeakPolarHBondContact CA-OD1 3.41Å; F28-N44 HydrophobicContact CD1-CB 3.78Å; F28-N44 VanDerWaalsContact CD1-ND2 3.3Å; F28-N44 WeakPolarHBondContact CD1-ND2 3.34Å; F28-N44 HydrophobicContact CE1-CB 3.52Å; F28-N44 HydrophobicContact CG-CB 4.4Å; F28-N44 HydrophobicContact CZ-CB 3.95Å; F28-N44 PolarHBondContact N-OD1 3.29Å; F28-N44 PolarHBondContact O-N 3.28Å; F28-N44 PolarHBondContact O-OD1 3.37Å; Y42-N44 HydrophobicContact CE1-CB 4.01Å; N44-G46 PolarHBondContact O-N 2.78Å; N44-G46 PolarHBondContact OD1-N 3.43Å; N44-F47 PolarHBondContact O-N 2.87Å; N44-F47 VanDerWaalsContact O-N 3.08Å; N44-F47 PolarHBondContact OD1-N 2.91Å; N44-C48 PolarHBondContact O-N 2.92Å; N44-C48 PolarHBondContact O-SG 2.75Å; N44-R55 VanDerWaalsContact C-NH2 3.25Å
45	D	88.8	Confident	91.1	Very high	91 Å²	91	56.1 Å²	56.1	49%	0.487	29%	0.292	S	S	.	.	H	α-helix	trans	-65.4	-23	-178.8	-68.4	-26.4	0	0	0	112.9	K49 R55	D45-K49 WeakPolarHBondContact O-CB 3.27Å; D45-K49 WeakPolarHBondContact O-CD 3.47Å; D45-K49 VanDerWaalsContact O-CG 3.24Å; D45-K49 WeakPolarHBondContact O-CG 3.31Å; D45-K49 PolarHBondContact O-N 3.12Å; D45-R55 IonicContact OD1-CZ 2.64Å; D45-R55 VanDerWaalsContact OD1-CZ 3.22Å; D45-R55 IonicContact OD1-NH1 2.66Å; D45-R55 PolarHBondContact OD1-NH1 3.47Å; D45-R55 IonicContact OD1-NH2 2.66Å; D45-R55 PolarHBondContact OD1-NH2 3.03Å
46	G	87.6	Confident	91.1	Very high	26 Å²	26	55.4 Å²	55.4	27%	0.268	30%	0.299	S	S	.	.	H	α-helix	trans	-59.8	-49.5	169.1	0	0	0	0	0	111.6	S27 N44 C48 K49 L50	S27-G46 PolarHBondContact OG-O 2.84Å; N44-G46 PolarHBondContact O-N 2.78Å; N44-G46 PolarHBondContact OD1-N 3.43Å; G46-C48 PolarHBondContact O-N 2.94Å; G46-K49 PolarHBondContact O-N 3.22Å; G46-L50 VanDerWaalsContact O-CB 3.28Å; G46-L50 WeakPolarHBondContact O-CB 3.19Å; G46-L50 PolarHBondContact O-N 2.91Å
47	F	90.1	Very high	91.4	Very high	1 Å²	1	51.9 Å²	51.9	0%	0.004	28%	0.279	C	S	.	.	H	α-helix	trans	-63.8	-40.1	178	-174.4	-89.9	0	0	0	112.5	S27 L29 N44 K49 L50 S51 V58 F67 M68 F128	S27-F47 PolarHBondContact OG-N 2.87Å; L29-F47 HydrophobicContact CD2-CE2 4.36Å; L29-F47 HydrophobicContact CD2-CZ 4.33Å; N44-F47 PolarHBondContact O-N 2.87Å; N44-F47 VanDerWaalsContact O-N 3.08Å; N44-F47 PolarHBondContact OD1-N 2.91Å; F47-K49 PolarHBondContact O-N 3.36Å; F47-L50 PolarHBondContact O-N 2.88Å; F47-S51 VanDerWaalsContact O-CB 3.32Å; F47-S51 WeakPolarHBondContact O-CB 3.31Å; F47-S51 PolarHBondContact O-N 2.74Å; F47-S51 PolarHBondContact O-OG 3.41Å; F47-V58 HydrophobicContact CD1-CG1 4.18Å; F47-V58 HydrophobicContact CD1-CG2 4.42Å; F47-V58 HydrophobicContact CE1-CG1 3.71Å; F47-V58 HydrophobicContact CE1-CG2 3.99Å; F47-F67 HydrophobicContact CE1-CZ 4.46Å; F47-F67 HydrophobicContact CZ-CZ 4.44Å; F47-M68 HydrophobicContact CZ-SD 3.86Å; F47-F128 AromaticContact CD2-CD2 3.52Å; F47-F128 HydrophobicContact CD2-CD2 3.52Å; F47-F128 AromaticContact CD2-CE2 3.63Å; F47-F128 HydrophobicContact CD2-CE2 3.63Å; F47-F128 HydrophobicContact CD2-CG 4.25Å; F47-F128 HydrophobicContact CD2-CZ 4.44Å; F47-F128 AromaticContact CE2-CD2 3.69Å; F47-F128 HydrophobicContact CE2-CD2 3.69Å; F47-F128 HydrophobicContact CE2-CE1 4.34Å; F47-F128 AromaticContact CE2-CE2 3.46Å; F47-F128 HydrophobicContact CE2-CE2 3.46Å; F47-F128 VanDerWaalsContact CE2-CE2 3.46Å; F47-F128 HydrophobicContact CE2-CG 4.22Å; F47-F128 AromaticContact CE2-CZ 3.82Å; F47-F128 HydrophobicContact CE2-CZ 3.82Å
48	C	91.1	Very high	91.6	Very high	19 Å²	19	47.3 Å²	47.3	13%	0.128	25%	0.254	C	S	.	.	H	α-helix	trans	-60.7	-44.4	174.8	-59.8	0	0	0	0	111.4	N44 G46 G52 Y53	N44-C48 PolarHBondContact O-N 2.92Å; N44-C48 PolarHBondContact O-SG 2.75Å; G46-C48 PolarHBondContact O-N 2.94Å; C48-G52 WeakPolarHBondContact O-CA 3.21Å; C48-G52 PolarHBondContact O-N 3.22Å; C48-Y53 WeakPolarHBondContact CA-O 3.26Å; C48-Y53 WeakPolarHBondContact CB-O 3.41Å
49	K	89.6	Confident	91.5	Very high	179 Å²	179	49.2 Å²	49.2	78%	0.778	27%	0.265	S	S	*	.	H	α-helix	trans	-67.1	-37.9	176.5	-71.4	168.2	-176.5	175.8	0	113	D45 G46 F47	D45-K49 WeakPolarHBondContact O-CB 3.27Å; D45-K49 WeakPolarHBondContact O-CD 3.47Å; D45-K49 VanDerWaalsContact O-CG 3.24Å; D45-K49 WeakPolarHBondContact O-CG 3.31Å; D45-K49 PolarHBondContact O-N 3.12Å; G46-K49 PolarHBondContact O-N 3.22Å; F47-K49 PolarHBondContact O-N 3.36Å
50	L	88	Confident	91.3	Very high	37 Å²	37	55.4 Å²	55.4	19%	0.194	29%	0.292	C	S	.	.	H	α-helix	trans	-71.2	-42.5	-179.7	178.3	62.1	0	0	0	112.7	G46 F47 I105 L107 F128 D130	G46-L50 VanDerWaalsContact O-CB 3.28Å; G46-L50 WeakPolarHBondContact O-CB 3.19Å; G46-L50 PolarHBondContact O-N 2.91Å; F47-L50 PolarHBondContact O-N 2.88Å; L50-I105 HydrophobicContact CD1-CD1 4.43Å; L50-L107 HydrophobicContact CD1-CD2 4.13Å; L50-L107 HydrophobicContact CD2-CD1 4.13Å; L50-L107 HydrophobicContact CD2-CD2 3.93Å; L50-L107 HydrophobicContact CG-CD2 4.33Å; L50-F128 HydrophobicContact CD2-CB 4.03Å; L50-D130 HydrophobicContact CD1-CB 4.26Å
51	S	90	Very high	91.2	Very high	1 Å²	1	60.1 Å²	60.1	1%	0.007	31%	0.313	C	S	.	.	H	α-helix	trans	-87.5	-22.7	-176.1	66.1	0	0	0	0	113.4	F47 Y53 T99 K100	F47-S51 VanDerWaalsContact O-CB 3.32Å; F47-S51 WeakPolarHBondContact O-CB 3.31Å; F47-S51 PolarHBondContact O-N 2.74Å; F47-S51 PolarHBondContact O-OG 3.41Å; S51-Y53 WeakPolarHBondContact O-CD2 3.49Å; S51-Y53 PolarHBondContact O-N 2.6Å; S51-Y53 PolarHBondContact OG-N 3.17Å; S51-T99 WeakPolarHBondContact O-CA 3.42Å; S51-T99 WeakPolarHBondContact O-CB 3.25Å; S51-K100 PolarHBondContact O-N 3.21Å
52	G	88.8	Confident	91.2	Very high	41 Å²	41	56.9 Å²	56.9	42%	0.423	29%	0.293	S	S	.	.			trans	78.7	1	-172.9	0	0	0	0	0	114.3	C48 K100	C48-G52 WeakPolarHBondContact O-CA 3.21Å; C48-G52 PolarHBondContact O-N 3.22Å; G52-K100 WeakPolarHBondContact O-CD 3.48Å
53	Y	92.8	Very high	91.2	Very high	39 Å²	39	54 Å²	54	15%	0.153	28%	0.282	C	S	.	.			trans	-91.3	146.1	177.9	-70	-89.2	0	0	0	111.9	C48 S51 E57 V58 F67 M68 K100	C48-Y53 WeakPolarHBondContact CA-O 3.26Å; C48-Y53 WeakPolarHBondContact CB-O 3.41Å; S51-Y53 WeakPolarHBondContact O-CD2 3.49Å; S51-Y53 PolarHBondContact O-N 2.6Å; S51-Y53 PolarHBondContact OG-N 3.17Å; Y53-E57 WeakPolarHBondContact CA-OE2 3.36Å; Y53-E57 HydrophobicContact CD1-CB 4.23Å; Y53-V58 HydrophobicContact CG-CG2 4.48Å; Y53-F67 HydrophobicContact CD2-CD2 4.32Å; Y53-F67 AromaticContact CD2-CE2 3.89Å; Y53-F67 HydrophobicContact CD2-CE2 3.89Å; Y53-F67 HydrophobicContact CE1-CD2 4.28Å; Y53-F67 AromaticContact CE2-CD2 3.98Å; Y53-F67 HydrophobicContact CE2-CD2 3.98Å; Y53-F67 AromaticContact CE2-CE2 3.96Å; Y53-F67 HydrophobicContact CE2-CE2 3.96Å; Y53-F67 HydrophobicContact CG-CE2 4.2Å; Y53-F67 AromaticContact CZ-CD2 3.95Å; Y53-M68 HydrophobicContact CE2-CG 4.3Å; Y53-K100 HydrophobicContact CD1-CB 4.25Å; Y53-K100 HydrophobicContact CD1-CD 3.93Å; Y53-K100 HydrophobicContact CD1-CG 4.08Å; Y53-K100 HydrophobicContact CD2-CB 3.93Å; Y53-K100 HydrophobicContact CE1-CB 4.08Å; Y53-K100 HydrophobicContact CE1-CD 4.17Å; Y53-K100 HydrophobicContact CE1-CG 3.84Å; Y53-K100 HydrophobicContact CE2-CB 3.75Å; Y53-K100 HydrophobicContact CE2-CG 4.43Å; Y53-K100 HydrophobicContact CG-CB 4.19Å; Y53-K100 HydrophobicContact CG-CD 4.3Å; Y53-K100 HydrophobicContact CG-CG 4.48Å
54	H	92.9	Very high	91.2	Very high	136 Å²	136	54.6 Å²	54.6	63%	0.63	29%	0.286	S	S	*	.			trans	-77.3	149.6	172.8	-154.1	-103.8	0	0	0	110.3	A56 E57 V58	H54-A56 PolarHBondContact O-N 2.8Å; H54-A56 VanDerWaalsContact O-N 3.1Å; H54-E57 HydrophobicContact CB-CG 4.16Å; H54-E57 PolarHBondContact N-OE2 2.96Å; H54-E57 WeakPolarHBondContact O-CA 3.22Å; H54-E57 WeakPolarHBondContact O-CB 3.34Å; H54-E57 PolarHBondContact O-N 2.82Å; H54-V58 PolarHBondContact O-N 2.91Å
55	R	92.6	Very high	91.2	Very high	70 Å²	70	53.8 Å²	53.8	26%	0.264	28%	0.281	S	S	.	.	H	α-helix	trans	-50.6	-42.2	-175.5	177.7	169.7	-74	105.7	6.8	113.5	S43 N44 D45 E57 V58 M59	S43-R55 VanDerWaalsContact O-CZ 3.25Å; S43-R55 PolarHBondContact O-NE 2.83Å; S43-R55 PolarHBondContact O-NH2 3.36Å; N44-R55 VanDerWaalsContact C-NH2 3.25Å; D45-R55 IonicContact OD1-CZ 2.64Å; D45-R55 VanDerWaalsContact OD1-CZ 3.22Å; D45-R55 IonicContact OD1-NH1 2.66Å; D45-R55 PolarHBondContact OD1-NH1 3.47Å; D45-R55 IonicContact OD1-NH2 2.66Å; D45-R55 PolarHBondContact OD1-NH2 3.03Å; R55-E57 VanDerWaalsContact C-N 3.28Å; R55-E57 PolarHBondContact O-N 2.8Å; R55-V58 PolarHBondContact O-N 2.89Å; R55-M59 HydrophobicContact CG-CG 4.42Å; R55-M59 HydrophobicContact CG-SD 3.9Å; R55-M59 WeakPolarHBondContact O-CG 3.22Å; R55-M59 PolarHBondContact O-N 2.89Å
56	A	91.9	Very high	91.3	Very high	74 Å²	74	53.3 Å²	53.3	61%	0.612	28%	0.278	S	S	*	.	H	α-helix	trans	-67.7	-21	178.1	0	0	0	0	0	114.6	H54	H54-A56 PolarHBondContact O-N 2.8Å; H54-A56 VanDerWaalsContact O-N 3.1Å
57	E	92.8	Very high	91.5	Very high	75 Å²	75	53.8 Å²	53.8	35%	0.35	27%	0.273	S	S	.	.	H	α-helix	trans	-83.7	-25.8	175.5	-55.8	176.1	134.9	0	0	112	Y53 H54 R55 K61 K100	Y53-E57 WeakPolarHBondContact CA-OE2 3.36Å; Y53-E57 HydrophobicContact CD1-CB 4.23Å; H54-E57 HydrophobicContact CB-CG 4.16Å; H54-E57 PolarHBondContact N-OE2 2.96Å; H54-E57 WeakPolarHBondContact O-CA 3.22Å; H54-E57 WeakPolarHBondContact O-CB 3.34Å; H54-E57 PolarHBondContact O-N 2.82Å; R55-E57 VanDerWaalsContact C-N 3.28Å; R55-E57 PolarHBondContact O-N 2.8Å; E57-K61 WeakPolarHBondContact O-CE 3.43Å; E57-K61 VanDerWaalsContact O-CG 3.27Å; E57-K61 WeakPolarHBondContact O-CG 3.35Å; E57-K100 IonicContact OE1-NZ 3.9Å; E57-K100 PolarHBondContact OE1-NZ 2.95Å; E57-K100 IonicContact OE2-NZ 2.83Å; E57-K100 PolarHBondContact OE2-NZ 2.82Å
58	V	93.3	Very high	91.6	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-86.8	-36.5	179.6	179.5	0	0	0	0	111.6	V40 F47 Y53 H54 R55 K61 F67	V40-V58 HydrophobicContact CG1-CG1 4.14Å; F47-V58 HydrophobicContact CD1-CG1 4.18Å; F47-V58 HydrophobicContact CD1-CG2 4.42Å; F47-V58 HydrophobicContact CE1-CG1 3.71Å; F47-V58 HydrophobicContact CE1-CG2 3.99Å; Y53-V58 HydrophobicContact CG-CG2 4.48Å; H54-V58 PolarHBondContact O-N 2.91Å; R55-V58 PolarHBondContact O-N 2.89Å; V58-K61 WeakPolarHBondContact O-CB 3.37Å; V58-K61 WeakPolarHBondContact O-CG 3.46Å; V58-K61 PolarHBondContact O-N 3.12Å; V58-F67 HydrophobicContact CG1-CZ 4.16Å; V58-F67 HydrophobicContact CG2-CE2 4.46Å; V58-F67 HydrophobicContact CG2-CZ 4.34Å
59	M	91.8	Very high	91.6	Very high	69 Å²	69	55.1 Å²	55.1	34%	0.34	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	143	174	-76.5	163.5	53	0	0	111.5	R55 K61	R55-M59 HydrophobicContact CG-CG 4.42Å; R55-M59 HydrophobicContact CG-SD 3.9Å; R55-M59 WeakPolarHBondContact O-CG 3.22Å; R55-M59 PolarHBondContact O-N 2.89Å; M59-K61 PolarHBondContact O-N 3.46Å
60	H	90.6	Very high	91.6	Very high	153 Å²	153	47.6 Å²	47.6	71%	0.708	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.2	3.7	-176.5	-46.6	-80.6	0	0	0	116.1	V40	V40-H60 PolarHBondContact O-N 2.98Å
61	K	93.4	Very high	91.5	Very high	99 Å²	99	53.6 Å²	53.6	43%	0.43	28%	0.281	S	S	.	.	S	Bend	trans	-77.4	165.5	164.3	-55.6	-57.4	-178.8	-173.9	0	110.6	P39 V40 E57 V58 M59 F67	P39-K61 CarbonylContact C-O 3.55Å; P39-K61 WeakPolarHBondContact CA-O 3.4Å; V40-K61 WeakPolarHBondContact CG2-O 3.47Å; V40-K61 PolarHBondContact N-O 3.22Å; E57-K61 WeakPolarHBondContact O-CE 3.43Å; E57-K61 VanDerWaalsContact O-CG 3.27Å; E57-K61 WeakPolarHBondContact O-CG 3.35Å; V58-K61 WeakPolarHBondContact O-CB 3.37Å; V58-K61 WeakPolarHBondContact O-CG 3.46Å; V58-K61 PolarHBondContact O-N 3.12Å; M59-K61 PolarHBondContact O-N 3.46Å; K61-F67 HydrophobicContact CB-CD1 3.53Å; K61-F67 HydrophobicContact CB-CE1 3.64Å; K61-F67 HydrophobicContact CB-CG 4.43Å; K61-F67 HydrophobicContact CG-CD1 3.82Å; K61-F67 HydrophobicContact CG-CE1 4.07Å; K61-F67 HydrophobicContact CG-CG 4.26Å
62	S	93.6	Very high	91.3	Very high	8 Å²	8	59.1 Å²	59.1	6%	0.056	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-70.4	138.5	175.9	-177.8	0	0	0	0	111.4	D37 T64 C65	D37-S62 WeakPolarHBondContact O-CA 3.3Å; D37-S62 WeakPolarHBondContact O-CB 3.34Å; D37-S62 PolarHBondContact O-OG 2.96Å; S62-T64 WeakPolarHBondContact CB-OG1 3.44Å; S62-T64 PolarHBondContact O-N 2.79Å; S62-T64 VanDerWaalsContact O-N 3.14Å; S62-T64 PolarHBondContact OG-N 2.88Å; S62-T64 PolarHBondContact OG-OG1 2.65Å; S62-C65 PolarHBondContact O-N 2.83Å
63	S	92.8	Very high	91.4	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-8.5	176	-60.5	0	0	0	0	114	G31 W38 C65 M109	G31-S63 WeakPolarHBondContact CA-OG 3.41Å; W38-S63 VanDerWaalsContact O-CB 3.22Å; W38-S63 WeakPolarHBondContact O-CB 3.3Å; W38-S63 PolarHBondContact O-N 3.17Å; W38-S63 PolarHBondContact O-OG 3.33Å; S63-C65 PolarHBondContact O-N 3.09Å; S63-M109 WeakPolarHBondContact O-CE 3.36Å
64	T	91.4	Very high	91.3	Very high	12 Å²	12	59.3 Å²	59.3	7%	0.074	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-7.3	167.1	61.8	0	0	0	0	113.3	W38 S62 Y69 I81 F85	W38-T64 HydrophobicContact CE3-CG2 3.99Å; W38-T64 HydrophobicContact CZ3-CG2 4.1Å; S62-T64 WeakPolarHBondContact CB-OG1 3.44Å; S62-T64 PolarHBondContact O-N 2.79Å; S62-T64 VanDerWaalsContact O-N 3.14Å; S62-T64 PolarHBondContact OG-N 2.88Å; S62-T64 PolarHBondContact OG-OG1 2.65Å; T64-Y69 WeakPolarHBondContact CB-OH 3.25Å; T64-Y69 VanDerWaalsContact O-CE1 3.32Å; T64-Y69 WeakPolarHBondContact O-CE1 3.44Å; T64-Y69 PolarHBondContact O-OH 2.88Å; T64-I81 HydrophobicContact CG2-CG2 4.27Å; T64-F85 HydrophobicContact CG2-CD2 3.85Å; T64-F85 HydrophobicContact CG2-CE2 3.75Å
65	C	91.7	Very high	91.1	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.308	C	S	.	.			trans	61	35.2	-175.3	-62.6	0	0	0	0	114.5	S62 S63 F67 M68 Y69 L97	S62-C65 PolarHBondContact O-N 2.83Å; S63-C65 PolarHBondContact O-N 3.09Å; C65-F67 HydrophobicContact CB-CE1 4.49Å; C65-F67 PolarHBondContact O-N 3.09Å; C65-M68 HydrophobicContact CB-CB 4.41Å; C65-M68 HydrophobicContact CB-CG 4.46Å; C65-M68 HydrophobicContact CB-SD 4.31Å; C65-M68 WeakPolarHBondContact O-CA 3.48Å; C65-M68 WeakPolarHBondContact O-CB 3.45Å; C65-M68 PolarHBondContact O-N 2.88Å; C65-Y69 WeakPolarHBondContact O-CD1 3.13Å; C65-Y69 WeakPolarHBondContact O-CE1 3.31Å; C65-L97 HydrophobicContact CB-CD1 4.28Å
66	N	89.9	Confident	91.1	Very high	80 Å²	80	64.7 Å²	64.7	43%	0.428	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-51.5	-31.7	179.9	66	-8.5	0	0	0	115.5	M68 Y69	N66-M68 PolarHBondContact O-N 3.08Å; N66-Y69 HydrophobicContact CB-CD2 4.31Å; N66-Y69 HydrophobicContact CB-CE2 4.06Å; N66-Y69 PolarHBondContact O-N 2.64Å
67	F	91.6	Very high	90.9	Very high	37 Å²	37	62.2 Å²	62.2	16%	0.162	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-71.9	-11.1	175.7	66.1	-82.5	0	0	0	114.4	F47 Y53 V58 K61 C65	F47-F67 HydrophobicContact CE1-CZ 4.46Å; F47-F67 HydrophobicContact CZ-CZ 4.44Å; Y53-F67 HydrophobicContact CD2-CD2 4.32Å; Y53-F67 AromaticContact CD2-CE2 3.89Å; Y53-F67 HydrophobicContact CD2-CE2 3.89Å; Y53-F67 HydrophobicContact CE1-CD2 4.28Å; Y53-F67 AromaticContact CE2-CD2 3.98Å; Y53-F67 HydrophobicContact CE2-CD2 3.98Å; Y53-F67 AromaticContact CE2-CE2 3.96Å; Y53-F67 HydrophobicContact CE2-CE2 3.96Å; Y53-F67 HydrophobicContact CG-CE2 4.2Å; Y53-F67 AromaticContact CZ-CD2 3.95Å; V58-F67 HydrophobicContact CG1-CZ 4.16Å; V58-F67 HydrophobicContact CG2-CE2 4.46Å; V58-F67 HydrophobicContact CG2-CZ 4.34Å; K61-F67 HydrophobicContact CB-CD1 3.53Å; K61-F67 HydrophobicContact CB-CE1 3.64Å; K61-F67 HydrophobicContact CB-CG 4.43Å; K61-F67 HydrophobicContact CG-CD1 3.82Å; K61-F67 HydrophobicContact CG-CE1 4.07Å; K61-F67 HydrophobicContact CG-CG 4.26Å; C65-F67 HydrophobicContact CB-CE1 4.49Å; C65-F67 PolarHBondContact O-N 3.09Å
68	M	92.2	Very high	90.9	Very high	1 Å²	1	60 Å²	60	1%	0.005	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-103.5	6	174.6	-58.1	-177.4	66.8	0	0	112.5	F47 Y53 C65 N66 L97 Y98 I105	F47-M68 HydrophobicContact CZ-SD 3.86Å; Y53-M68 HydrophobicContact CE2-CG 4.3Å; C65-M68 HydrophobicContact CB-CB 4.41Å; C65-M68 HydrophobicContact CB-CG 4.46Å; C65-M68 HydrophobicContact CB-SD 4.31Å; C65-M68 WeakPolarHBondContact O-CA 3.48Å; C65-M68 WeakPolarHBondContact O-CB 3.45Å; C65-M68 PolarHBondContact O-N 2.88Å; N66-M68 PolarHBondContact O-N 3.08Å; M68-L97 HydrophobicContact CB-CB 4.12Å; M68-L97 HydrophobicContact CB-CD2 4.24Å; M68-L97 HydrophobicContact CE-CB 4.3Å; M68-L97 CarbonylContact O-C 3.56Å; M68-Y98 WeakPolarHBondContact CB-O 3.16Å; M68-Y98 WeakPolarHBondContact CE-O 3.36Å; M68-Y98 PolarHBondContact O-N 3.35Å; M68-I105 HydrophobicContact CE-CD1 4.48Å
69	Y	92.4	Very high	90.8	Very high	47 Å²	47	64.2 Å²	64.2	18%	0.184	32%	0.318	C	S	.	.			trans	-75.8	151.1	174.4	-61.3	-9.4	0	0	0	111	T64 C65 N66 T73 I78 L97	T64-Y69 WeakPolarHBondContact CB-OH 3.25Å; T64-Y69 VanDerWaalsContact O-CE1 3.32Å; T64-Y69 WeakPolarHBondContact O-CE1 3.44Å; T64-Y69 PolarHBondContact O-OH 2.88Å; C65-Y69 WeakPolarHBondContact O-CD1 3.13Å; C65-Y69 WeakPolarHBondContact O-CE1 3.31Å; N66-Y69 HydrophobicContact CB-CD2 4.31Å; N66-Y69 HydrophobicContact CB-CE2 4.06Å; N66-Y69 PolarHBondContact O-N 2.64Å; Y69-T73 HydrophobicContact CD1-CG2 4.13Å; Y69-T73 HydrophobicContact CG-CG2 4.42Å; Y69-I78 HydrophobicContact CD1-CD1 4.49Å; Y69-I78 HydrophobicContact CD2-CD1 3.59Å; Y69-I78 HydrophobicContact CD2-CG1 4.23Å; Y69-I78 HydrophobicContact CE1-CG1 4.28Å; Y69-I78 HydrophobicContact CE2-CB 4.38Å; Y69-I78 HydrophobicContact CE2-CD1 3.64Å; Y69-I78 HydrophobicContact CE2-CG1 3.8Å; Y69-I78 HydrophobicContact CE2-CG2 3.65Å; Y69-I78 HydrophobicContact CG-CD1 4.06Å; Y69-L97 HydrophobicContact CD1-CD2 3.53Å; Y69-L97 HydrophobicContact CE1-CD2 3.78Å
70	G	88.9	Confident	90.8	Very high	20 Å²	20	66.5 Å²	66.5	21%	0.206	33%	0.326	C	S	.	.			trans	-157.4	-171.4	172	0	0	0	0	0	111	L72 T73	G70-L72 PolarHBondContact O-N 3.4Å; G70-L72 VanDerWaalsContact O-N 3.14Å; G70-T73 PolarHBondContact N-OG1 3.39Å; G70-T73 WeakPolarHBondContact O-CB 3.39Å; G70-T73 PolarHBondContact O-N 2.94Å; G70-T73 PolarHBondContact O-OG1 3.14Å
71	D	85.8	Confident	90.8	Very high	164 Å²	164	59.3 Å²	59.3	88%	0.877	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-23.6	-163.5	-48.5	-68.1	0	0	0	114.2
72	L	86.6	Confident	90.8	Very high	116 Å²	116	60.4 Å²	60.4	61%	0.607	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	1.4	175.6	-58.7	175.8	0	0	0	114.2	G70 D74 L96 Y98	G70-L72 PolarHBondContact O-N 3.4Å; G70-L72 VanDerWaalsContact O-N 3.14Å; L72-D74 PolarHBondContact O-N 2.94Å; L72-L96 HydrophobicContact CB-CD1 3.95Å; L72-L96 HydrophobicContact CB-CD2 3.91Å; L72-Y98 HydrophobicContact CB-CE2 4.49Å; L72-Y98 WeakPolarHBondContact CB-OH 3.28Å; L72-Y98 WeakPolarHBondContact CG-OH 3.49Å; L72-Y98 PolarHBondContact N-OH 2.98Å
73	T	89.3	Confident	90.7	Very high	10 Å²	10	66.4 Å²	66.4	6%	0.061	32%	0.322	C	S	.	.	S	Bend	trans	-79.3	117.5	176.5	-54.6	0	0	0	0	110.3	Y69 G70 K75 I78 V95 L96 L97	Y69-T73 HydrophobicContact CD1-CG2 4.13Å; Y69-T73 HydrophobicContact CG-CG2 4.42Å; G70-T73 PolarHBondContact N-OG1 3.39Å; G70-T73 WeakPolarHBondContact O-CB 3.39Å; G70-T73 PolarHBondContact O-N 2.94Å; G70-T73 PolarHBondContact O-OG1 3.14Å; T73-K75 PolarHBondContact O-N 2.92Å; T73-I78 HydrophobicContact CG2-CD1 3.76Å; T73-I78 HydrophobicContact CG2-CG1 3.9Å; T73-V95 HydrophobicContact CG2-CG2 4.05Å; T73-L96 WeakPolarHBondContact CB-O 3.48Å; T73-L96 WeakPolarHBondContact CG2-O 3.49Å; T73-L96 PolarHBondContact OG1-O 3.32Å; T73-L97 HydrophobicContact CG2-CD2 4.43Å
74	D	90.7	Very high	90.6	Very high	75 Å²	75	66.7 Å²	66.7	40%	0.401	32%	0.323	S	S	.	.			trans	-63.9	122	179.8	167.1	45.2	0	0	0	112.7	L72 K76 T77 I78	L72-D74 PolarHBondContact O-N 2.94Å; D74-K76 VanDerWaalsContact C-N 3.33Å; D74-K76 PolarHBondContact O-N 2.87Å; D74-K76 PolarHBondContact OD1-N 3.42Å; D74-K76 WeakPolarHBondContact OD2-CB 3.14Å; D74-T77 WeakPolarHBondContact O-CB 3.32Å; D74-T77 PolarHBondContact O-N 3.1Å; D74-T77 WeakPolarHBondContact OD2-CB 3.42Å; D74-T77 PolarHBondContact OD2-N 3.45Å; D74-T77 PolarHBondContact OD2-OG1 2.98Å; D74-I78 PolarHBondContact O-N 2.86Å; D74-I78 VanDerWaalsContact O-N 3.11Å
75	K	90.3	Very high	90.6	Very high	161 Å²	161	66.1 Å²	66.1	70%	0.7	32%	0.32	S	S	*	.	H	α-helix	trans	-61.7	-37.1	178.4	-62.7	-178.8	-179.2	178.9	0	112.7	T73 T77 I78 D79	T73-K75 PolarHBondContact O-N 2.92Å; K75-T77 PolarHBondContact O-N 3.07Å; K75-I78 WeakPolarHBondContact O-CB 3.45Å; K75-I78 PolarHBondContact O-N 2.84Å; K75-I78 VanDerWaalsContact O-N 3.16Å; K75-D79 PolarHBondContact O-N 3.15Å
76	K	91.8	Very high	90.5	Very high	157 Å²	157	70.6 Å²	70.6	68%	0.683	34%	0.344	S	S	*	.	H	α-helix	trans	-65.3	-30	178.8	-59.3	176.5	-178.4	176.5	0	111.8	D74 K80	D74-K76 VanDerWaalsContact C-N 3.33Å; D74-K76 PolarHBondContact O-N 2.87Å; D74-K76 PolarHBondContact OD1-N 3.42Å; D74-K76 WeakPolarHBondContact OD2-CB 3.14Å; K76-K80 VanDerWaalsContact O-CG 3.3Å; K76-K80 WeakPolarHBondContact O-CG 3.4Å; K76-K80 PolarHBondContact O-N 3.35Å
77	T	88.8	Confident	90.5	Very high	23 Å²	23	69.4 Å²	69.4	14%	0.141	34%	0.341	C	S	.	.	H	α-helix	trans	-77.1	-37.7	174.7	-60.5	0	0	0	0	111.6	D74 K75 D79 K80 I81 V95	D74-T77 WeakPolarHBondContact O-CB 3.32Å; D74-T77 PolarHBondContact O-N 3.1Å; D74-T77 WeakPolarHBondContact OD2-CB 3.42Å; D74-T77 PolarHBondContact OD2-N 3.45Å; D74-T77 PolarHBondContact OD2-OG1 2.98Å; K75-T77 PolarHBondContact O-N 3.07Å; T77-D79 VanDerWaalsContact C-N 3.34Å; T77-D79 PolarHBondContact O-N 3.02Å; T77-K80 PolarHBondContact O-N 3.43Å; T77-I81 HydrophobicContact CG2-CD1 4.09Å; T77-I81 WeakPolarHBondContact O-CB 3.06Å; T77-I81 VanDerWaalsContact O-CG1 3.32Å; T77-I81 WeakPolarHBondContact O-CG1 3.36Å; T77-I81 PolarHBondContact O-N 3.4Å; T77-V95 HydrophobicContact CG2-CB 4.07Å; T77-V95 HydrophobicContact CG2-CG2 4.22Å
78	I	91.2	Very high	90.4	Very high	28 Å²	28	71.4 Å²	71.4	14%	0.144	35%	0.351	C	S	.	.	H	α-helix	trans	-57.7	-46.6	170.6	-64.8	169.2	0	0	0	110.9	Y69 T73 D74 K75 K80 I81 R82	Y69-I78 HydrophobicContact CD1-CD1 4.49Å; Y69-I78 HydrophobicContact CD2-CD1 3.59Å; Y69-I78 HydrophobicContact CD2-CG1 4.23Å; Y69-I78 HydrophobicContact CE1-CG1 4.28Å; Y69-I78 HydrophobicContact CE2-CB 4.38Å; Y69-I78 HydrophobicContact CE2-CD1 3.64Å; Y69-I78 HydrophobicContact CE2-CG1 3.8Å; Y69-I78 HydrophobicContact CE2-CG2 3.65Å; Y69-I78 HydrophobicContact CG-CD1 4.06Å; T73-I78 HydrophobicContact CG2-CD1 3.76Å; T73-I78 HydrophobicContact CG2-CG1 3.9Å; D74-I78 PolarHBondContact O-N 2.86Å; D74-I78 VanDerWaalsContact O-N 3.11Å; K75-I78 WeakPolarHBondContact O-CB 3.45Å; K75-I78 PolarHBondContact O-N 2.84Å; K75-I78 VanDerWaalsContact O-N 3.16Å; I78-K80 PolarHBondContact O-N 2.88Å; I78-I81 WeakPolarHBondContact O-CB 3.49Å; I78-I81 PolarHBondContact O-N 2.9Å; I78-R82 PolarHBondContact O-N 2.8Å
79	D	91.9	Very high	90.1	Very high	89 Å²	89	76.7 Å²	76.7	48%	0.476	38%	0.376	S	S	.	.	H	α-helix	trans	-66.6	-37.5	-178.6	-66.9	-37.4	0	0	0	112.4	K75 T77 R82 Q83	K75-D79 PolarHBondContact O-N 3.15Å; T77-D79 VanDerWaalsContact C-N 3.34Å; T77-D79 PolarHBondContact O-N 3.02Å; D79-R82 PolarHBondContact O-N 2.79Å; D79-Q83 WeakPolarHBondContact O-CB 3.34Å; D79-Q83 PolarHBondContact O-N 3.19Å
80	K	91.4	Very high	89.7	Confident	117 Å²	117	77.9 Å²	77.9	51%	0.509	39%	0.391	S	S	.	.	H	α-helix	trans	-64.5	-38.5	171.5	-74.6	172.2	179.1	-178.2	0	113.2	K76 T77 I78 Q83 T84	K76-K80 VanDerWaalsContact O-CG 3.3Å; K76-K80 WeakPolarHBondContact O-CG 3.4Å; K76-K80 PolarHBondContact O-N 3.35Å; T77-K80 PolarHBondContact O-N 3.43Å; I78-K80 PolarHBondContact O-N 2.88Å; K80-Q83 PolarHBondContact O-N 2.89Å; K80-T84 PolarHBondContact O-N 3.16Å; K80-T84 PolarHBondContact O-OG1 2.85Å
81	I	91.6	Very high	89.6	Confident	1 Å²	1	79.7 Å²	79.7	1%	0.005	40%	0.396	C	S	.	.	H	α-helix	trans	-62.3	-49.1	174.6	-75.8	166.5	0	0	0	109.2	T64 T77 I78 Q83 T84 F85 H93 V95 M109 I111	T64-I81 HydrophobicContact CG2-CG2 4.27Å; T77-I81 HydrophobicContact CG2-CD1 4.09Å; T77-I81 WeakPolarHBondContact O-CB 3.06Å; T77-I81 VanDerWaalsContact O-CG1 3.32Å; T77-I81 WeakPolarHBondContact O-CG1 3.36Å; T77-I81 PolarHBondContact O-N 3.4Å; I78-I81 WeakPolarHBondContact O-CB 3.49Å; I78-I81 PolarHBondContact O-N 2.9Å; I81-Q83 PolarHBondContact O-N 3.28Å; I81-T84 VanDerWaalsContact O-CB 3.3Å; I81-T84 WeakPolarHBondContact O-CB 3.2Å; I81-T84 PolarHBondContact O-N 2.61Å; I81-T84 VanDerWaalsContact O-N 3.14Å; I81-F85 HydrophobicContact CG2-CD2 4.21Å; I81-F85 HydrophobicContact CG2-CE2 3.88Å; I81-F85 VanDerWaalsContact O-CD2 3.28Å; I81-F85 WeakPolarHBondContact O-CD2 3.09Å; I81-F85 PolarHBondContact O-N 3.34Å; I81-H93 HydrophobicContact CD1-CB 4.14Å; I81-H93 HydrophobicContact CG1-CB 3.88Å; I81-V95 HydrophobicContact CD1-CB 4.22Å; I81-V95 HydrophobicContact CD1-CG1 4.34Å; I81-V95 HydrophobicContact CD1-CG2 4.24Å; I81-M109 HydrophobicContact CD1-SD 4.24Å; I81-I111 HydrophobicContact CG2-CD1 4.11Å
82	R	92.1	Very high	89.6	Confident	123 Å²	123	74.7 Å²	74.7	46%	0.464	37%	0.367	S	S	.	.	H	α-helix	trans	-55.6	-51.8	174.1	171.1	175.6	-79.6	133.3	-8.8	111.7	W38 I78 D79 T84 F85 D86	W38-R82 HydrophobicContact CH2-CG 4.25Å; W38-R82 HydrophobicContact CZ3-CG 4.43Å; I78-R82 PolarHBondContact O-N 2.8Å; D79-R82 PolarHBondContact O-N 2.79Å; R82-T84 PolarHBondContact O-N 2.94Å; R82-T84 VanDerWaalsContact O-N 3.12Å; R82-F85 WeakPolarHBondContact O-CB 3.42Å; R82-F85 PolarHBondContact O-N 3.02Å; R82-D86 VanDerWaalsContact CG-OD2 3.3Å; R82-D86 WeakPolarHBondContact CG-OD2 3.27Å; R82-D86 PolarHBondContact O-N 2.94Å
83	Q	91.6	Very high	89.7	Confident	134 Å²	134	70.2 Å²	70.2	63%	0.626	34%	0.343	S	S	*	.	H	α-helix	trans	-57.4	-29.4	178.4	-171.3	-179.8	9.4	0	0	113.1	D79 K80 I81 S87	D79-Q83 WeakPolarHBondContact O-CB 3.34Å; D79-Q83 PolarHBondContact O-N 3.19Å; K80-Q83 PolarHBondContact O-N 2.89Å; I81-Q83 PolarHBondContact O-N 3.28Å; Q83-S87 VanDerWaalsContact O-CB 3.3Å; Q83-S87 WeakPolarHBondContact O-CB 3.42Å; Q83-S87 PolarHBondContact O-N 3.11Å; Q83-S87 PolarHBondContact O-OG 3.07Å
84	T	91.1	Very high	89.6	Confident	6 Å²	6	73.8 Å²	73.8	4%	0.037	36%	0.359	C	S	.	.	H	α-helix	trans	-68.6	-41.3	174.5	-57.9	0	0	0	0	112.1	K80 I81 R82 S87 H88 E89 N91 H93 I111	K80-T84 PolarHBondContact O-N 3.16Å; K80-T84 PolarHBondContact O-OG1 2.85Å; I81-T84 VanDerWaalsContact O-CB 3.3Å; I81-T84 WeakPolarHBondContact O-CB 3.2Å; I81-T84 PolarHBondContact O-N 2.61Å; I81-T84 VanDerWaalsContact O-N 3.14Å; R82-T84 PolarHBondContact O-N 2.94Å; R82-T84 VanDerWaalsContact O-N 3.12Å; T84-S87 WeakPolarHBondContact CA-OG 3.32Å; T84-S87 PolarHBondContact O-OG 2.95Å; T84-H88 PolarHBondContact O-N 3.24Å; T84-E89 WeakPolarHBondContact CG2-O 3.42Å; T84-N91 HydrophobicContact CG2-CB 3.74Å; T84-H93 PolarHBondContact OG1-CE1 3.18Å; T84-H93 PolarHBondContact OG1-NE2 3Å; T84-I111 HydrophobicContact CG2-CB 3.93Å; T84-I111 HydrophobicContact CG2-CD1 3.87Å; T84-I111 HydrophobicContact CG2-CG2 3.94Å
85	F	91.3	Very high	89.6	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-67.4	-41.2	173.7	-74.4	-82.6	0	0	0	111.4	W38 T64 I81 R82 H88 M109 I111 F124	W38-F85 HydrophobicContact CB-CD1 4.33Å; W38-F85 HydrophobicContact CB-CE1 4.48Å; W38-F85 HydrophobicContact CD2-CB 3.69Å; W38-F85 HydrophobicContact CD2-CD1 4.01Å; W38-F85 AromaticContact CD2-CG 3.94Å; W38-F85 HydrophobicContact CD2-CG 3.94Å; W38-F85 HydrophobicContact CE3-CB 3.78Å; W38-F85 HydrophobicContact CE3-CD1 4.31Å; W38-F85 HydrophobicContact CE3-CD2 4.27Å; W38-F85 AromaticContact CE3-CG 3.9Å; W38-F85 HydrophobicContact CE3-CG 3.9Å; W38-F85 HydrophobicContact CG-CB 4.46Å; W38-F85 AromaticContact CG-CD1 3.99Å; W38-F85 HydrophobicContact CG-CD1 3.99Å; W38-F85 HydrophobicContact CG-CG 4.42Å; W38-F85 HydrophobicContact CH2-CB 3.61Å; W38-F85 HydrophobicContact CZ2-CB 3.53Å; W38-F85 HydrophobicContact CZ3-CB 3.74Å; W38-F85 HydrophobicContact CZ3-CD2 4.44Å; W38-F85 HydrophobicContact CZ3-CG 4.21Å; T64-F85 HydrophobicContact CG2-CD2 3.85Å; T64-F85 HydrophobicContact CG2-CE2 3.75Å; I81-F85 HydrophobicContact CG2-CD2 4.21Å; I81-F85 HydrophobicContact CG2-CE2 3.88Å; I81-F85 VanDerWaalsContact O-CD2 3.28Å; I81-F85 WeakPolarHBondContact O-CD2 3.09Å; I81-F85 PolarHBondContact O-N 3.34Å; R82-F85 WeakPolarHBondContact O-CB 3.42Å; R82-F85 PolarHBondContact O-N 3.02Å; F85-H88 PolarHBondContact O-N 3.08Å; F85-M109 HydrophobicContact CE2-CE 4.48Å; F85-M109 HydrophobicContact CZ-CE 4.41Å; F85-I111 HydrophobicContact CD2-CD1 4.15Å; F85-I111 HydrophobicContact CE1-CG2 4.22Å; F85-I111 HydrophobicContact CE2-CD1 3.67Å; F85-I111 HydrophobicContact CE2-CG1 4.36Å; F85-I111 HydrophobicContact CZ-CD1 4.14Å; F85-I111 HydrophobicContact CZ-CG1 4.34Å; F85-I111 HydrophobicContact CZ-CG2 4.3Å; F85-F124 HydrophobicContact CB-CZ 4.46Å; F85-F124 HydrophobicContact CD1-CB 4.32Å; F85-F124 AromaticContact CD1-CD1 3.96Å; F85-F124 HydrophobicContact CD1-CD1 3.96Å; F85-F124 AromaticContact CD1-CD2 3.6Å; F85-F124 HydrophobicContact CD1-CD2 3.6Å; F85-F124 HydrophobicContact CD1-CE1 4.1Å; F85-F124 AromaticContact CD1-CE2 3.75Å; F85-F124 HydrophobicContact CD1-CE2 3.75Å; F85-F124 AromaticContact CD1-CG 3.71Å; F85-F124 HydrophobicContact CD1-CG 3.71Å; F85-F124 HydrophobicContact CD1-CZ 4Å; F85-F124 HydrophobicContact CE1-CB 3.82Å; F85-F124 HydrophobicContact CE1-CD1 4.17Å; F85-F124 AromaticContact CE1-CD2 3.94Å; F85-F124 HydrophobicContact CE1-CD2 3.94Å; F85-F124 AromaticContact CE1-CG 3.73Å; F85-F124 HydrophobicContact CE1-CG 3.73Å; F85-F124 WeakPolarHBondContact O-CZ 3.33Å
86	D	90.6	Very high	89.6	Confident	93 Å²	93	63.5 Å²	63.5	50%	0.497	31%	0.311	S	S	.	.	H	α-helix	trans	-64	-44.3	177.8	-65.4	-48.8	0	0	0	112.6	W38 R82 H88	W38-D86 WeakPolarHBondContact CH2-OD1 3.33Å; W38-D86 VanDerWaalsContact CZ2-OD1 3.31Å; W38-D86 WeakPolarHBondContact CZ2-OD1 3.32Å; R82-D86 VanDerWaalsContact CG-OD2 3.3Å; R82-D86 WeakPolarHBondContact CG-OD2 3.27Å; R82-D86 PolarHBondContact O-N 2.94Å; D86-H88 VanDerWaalsContact C-N 3.27Å; D86-H88 PolarHBondContact O-N 2.96Å; D86-H88 PolarHBondContact O-ND1 3.26Å
87	S	90.1	Very high	89.5	Confident	55 Å²	55	56 Å²	56	39%	0.385	28%	0.279	S	S	.	.	H	α-helix	trans	-73.2	-15	179.2	55.8	0	0	0	0	114.2	Q83 T84 E89	Q83-S87 VanDerWaalsContact O-CB 3.3Å; Q83-S87 WeakPolarHBondContact O-CB 3.42Å; Q83-S87 PolarHBondContact O-N 3.11Å; Q83-S87 PolarHBondContact O-OG 3.07Å; T84-S87 WeakPolarHBondContact CA-OG 3.32Å; T84-S87 PolarHBondContact O-OG 2.95Å; S87-E89 PolarHBondContact O-N 2.93Å
88	H	88.4	Confident	89.6	Confident	79 Å²	79	56 Å²	56	37%	0.366	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	31.5	-173.4	-57.8	72.1	0	0	0	113.6	T84 F85 D86 P113 V121 F124	T84-H88 PolarHBondContact O-N 3.24Å; F85-H88 PolarHBondContact O-N 3.08Å; D86-H88 VanDerWaalsContact C-N 3.27Å; D86-H88 PolarHBondContact O-N 2.96Å; D86-H88 PolarHBondContact O-ND1 3.26Å; H88-P113 WeakPolarHBondContact O-CG 3.43Å; H88-V121 HydrophobicContact CB-CG2 4.46Å; H88-F124 AromaticContact CD2-CZ 3.82Å
89	E	85.3	Confident	89.5	Confident	112 Å²	112	55.4 Å²	55.4	52%	0.523	27%	0.274	S	S	.	.			trans	-96.6	155.5	177.9	-69.1	-175.1	166.3	0	0	112.5	T84 S87 N91	T84-E89 WeakPolarHBondContact CG2-O 3.42Å; S87-E89 PolarHBondContact O-N 2.93Å; E89-N91 WeakPolarHBondContact CB-ND2 3.34Å; E89-N91 PolarHBondContact O-N 3.09Å; E89-N91 PolarHBondContact OE2-ND2 2.72Å
90	S	85.6	Confident	89.5	Confident	72 Å²	72	55.2 Å²	55.2	50%	0.503	27%	0.269	S	S	.	.			trans	-85.6	107.8	171.3	57.2	0	0	0	0	111	I111	S90-I111 VanDerWaalsContact CA-O 3.3Å; S90-I111 WeakPolarHBondContact CA-O 3.44Å
91	N	86.1	Confident	89.3	Confident	59 Å²	59	56.3 Å²	56.3	32%	0.316	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	164.2	179.7	-78.9	-73.1	0	0	0	112.5	T84 E89 I111	T84-N91 HydrophobicContact CG2-CB 3.74Å; E89-N91 WeakPolarHBondContact CB-ND2 3.34Å; E89-N91 PolarHBondContact O-N 3.09Å; E89-N91 PolarHBondContact OE2-ND2 2.72Å; N91-I111 PolarHBondContact N-O 2.93Å; N91-I111 PolarHBondContact O-N 3.35Å
92	F	86.1	Confident	89	Confident	58 Å²	58	64.1 Å²	64.1	25%	0.254	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	133.2	-176.2	-56.8	-97.6	0	0	0	110.2	Y108 M109 Q110 Q186	F92-Y108 HydrophobicContact CB-CE1 4.37Å; F92-Y108 AromaticContact CD1-CE1 3.57Å; F92-Y108 HydrophobicContact CD1-CE1 3.57Å; F92-Y108 AromaticContact CD1-CZ 3.75Å; F92-Y108 WeakPolarHBondContact CD1-OH 3.45Å; F92-Y108 HydrophobicContact CE1-CE1 4.31Å; F92-Y108 HydrophobicContact CG-CE1 4.38Å; F92-M109 WeakPolarHBondContact CA-O 3.35Å; F92-Q110 HydrophobicContact CD1-CB 3.66Å; F92-Q110 HydrophobicContact CD1-CG 3.68Å; F92-Q110 HydrophobicContact CE1-CB 3.78Å; F92-Q110 VanDerWaalsContact CE1-CD 3.42Å; F92-Q110 HydrophobicContact CE1-CG 3.38Å; F92-Q110 HydrophobicContact CZ-CG 4.02Å; F92-Q186 HydrophobicContact CE2-CG 4.41Å; F92-Q186 HydrophobicContact CZ-CG 3.84Å
93	H	87.5	Confident	88.7	Confident	22 Å²	22	61.6 Å²	61.6	10%	0.102	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	135.3	-177.6	-58.4	-78.1	0	0	0	111.3	I81 T84 M109	I81-H93 HydrophobicContact CD1-CB 4.14Å; I81-H93 HydrophobicContact CG1-CB 3.88Å; T84-H93 PolarHBondContact OG1-CE1 3.18Å; T84-H93 PolarHBondContact OG1-NE2 3Å; H93-M109 PolarHBondContact N-O 3.15Å; H93-M109 PolarHBondContact O-N 3.17Å
94	E	88.8	Confident	88.4	Confident	86 Å²	86	58.2 Å²	58.2	40%	0.402	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	115.9	168.4	-67.3	-175.8	145.3	0	0	108.9	Y108 I131 K135	E94-Y108 HydrophobicContact CG-CD2 3.96Å; E94-Y108 HydrophobicContact CG-CE2 4.42Å; E94-I131 HydrophobicContact CB-CD1 4.39Å; E94-I131 HydrophobicContact CG-CD1 3.97Å; E94-K135 VanDerWaalsContact OE1-CE 3.31Å; E94-K135 WeakPolarHBondContact OE1-CE 3.24Å; E94-K135 IonicContact OE1-NZ 3.09Å; E94-K135 PolarHBondContact OE1-NZ 2.92Å; E94-K135 VanDerWaalsContact OE1-NZ 3.09Å; E94-K135 WeakPolarHBondContact OE2-CE 3.45Å; E94-K135 IonicContact OE2-NZ 2.64Å; E94-K135 PolarHBondContact OE2-NZ 3.18Å
95	V	89.4	Confident	88.2	Confident	3 Å²	3	58.8 Å²	58.8	2%	0.018	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	135.5	-173.4	61.6	0	0	0	0	112	T73 T77 I81 L97 L107 M109	T73-V95 HydrophobicContact CG2-CG2 4.05Å; T77-V95 HydrophobicContact CG2-CB 4.07Å; T77-V95 HydrophobicContact CG2-CG2 4.22Å; I81-V95 HydrophobicContact CD1-CB 4.22Å; I81-V95 HydrophobicContact CD1-CG1 4.34Å; I81-V95 HydrophobicContact CD1-CG2 4.24Å; V95-L97 HydrophobicContact CG1-CD1 3.83Å; V95-L97 HydrophobicContact CG1-CG 3.95Å; V95-L97 HydrophobicContact CG2-CD2 3.88Å; V95-L97 HydrophobicContact CG2-CG 4Å; V95-L107 PolarHBondContact N-O 3.17Å; V95-L107 PolarHBondContact O-N 2.86Å; V95-M109 HydrophobicContact CG1-CB 4.35Å
96	L	90.2	Very high	88	Confident	16 Å²	16	62.1 Å²	62.1	8%	0.084	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	116.8	170.9	-172.5	164	0	0	0	108.9	L72 T73 Y98 P104 I105 W106	L72-L96 HydrophobicContact CB-CD1 3.95Å; L72-L96 HydrophobicContact CB-CD2 3.91Å; T73-L96 WeakPolarHBondContact CB-O 3.48Å; T73-L96 WeakPolarHBondContact CG2-O 3.49Å; T73-L96 PolarHBondContact OG1-O 3.32Å; L96-Y98 HydrophobicContact CD2-CD2 4.17Å; L96-Y98 HydrophobicContact CD2-CE2 3.67Å; L96-P104 HydrophobicContact CD2-CB 3.83Å; L96-P104 HydrophobicContact CG-CB 4.34Å; L96-I105 WeakPolarHBondContact CA-O 3.27Å; L96-W106 HydrophobicContact CB-CD2 4.07Å; L96-W106 HydrophobicContact CB-CE3 4.17Å; L96-W106 HydrophobicContact CB-CH2 4.23Å; L96-W106 HydrophobicContact CB-CZ2 4.13Å; L96-W106 HydrophobicContact CB-CZ3 4.25Å; L96-W106 HydrophobicContact CD1-CZ2 4.03Å
97	L	91.3	Very high	87.9	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	162.4	-179.4	-65.4	176.7	0	0	0	110.5	C65 M68 Y69 T73 V95 P104 I105 L107	C65-L97 HydrophobicContact CB-CD1 4.28Å; M68-L97 HydrophobicContact CB-CB 4.12Å; M68-L97 HydrophobicContact CB-CD2 4.24Å; M68-L97 HydrophobicContact CE-CB 4.3Å; M68-L97 CarbonylContact O-C 3.56Å; Y69-L97 HydrophobicContact CD1-CD2 3.53Å; Y69-L97 HydrophobicContact CE1-CD2 3.78Å; T73-L97 HydrophobicContact CG2-CD2 4.43Å; V95-L97 HydrophobicContact CG1-CD1 3.83Å; V95-L97 HydrophobicContact CG1-CG 3.95Å; V95-L97 HydrophobicContact CG2-CD2 3.88Å; V95-L97 HydrophobicContact CG2-CG 4Å; L97-P104 WeakPolarHBondContact O-CA 3.13Å; L97-I105 PolarHBondContact N-O 2.82Å; L97-I105 VanDerWaalsContact O-CG1 3.28Å; L97-I105 WeakPolarHBondContact O-CG1 3.38Å; L97-I105 PolarHBondContact O-N 2.95Å; L97-L107 HydrophobicContact CD1-CD1 4.17Å
98	Y	89.8	Confident	87.7	Confident	23 Å²	23	56 Å²	56	9%	0.09	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	134.4	-177.5	-71.9	-107.9	0	0	0	110.8	M68 L72 L96 R102 T103 P104	M68-Y98 WeakPolarHBondContact CB-O 3.16Å; M68-Y98 WeakPolarHBondContact CE-O 3.36Å; M68-Y98 PolarHBondContact O-N 3.35Å; L72-Y98 HydrophobicContact CB-CE2 4.49Å; L72-Y98 WeakPolarHBondContact CB-OH 3.28Å; L72-Y98 WeakPolarHBondContact CG-OH 3.49Å; L72-Y98 PolarHBondContact N-OH 2.98Å; L96-Y98 HydrophobicContact CD2-CD2 4.17Å; L96-Y98 HydrophobicContact CD2-CE2 3.67Å; Y98-R102 WeakPolarHBondContact CD1-O 3.32Å; Y98-T103 WeakPolarHBondContact CA-O 3.34Å; Y98-P104 HydrophobicContact CE1-CB 4.42Å
99	T	90.1	Very high	87.8	Confident	14 Å²	14	52.3 Å²	52.3	9%	0.086	26%	0.257	C	S	.	.			trans	-69.3	170.3	169.1	67	0	0	0	0	111.5	S51 N101 R102 T103 I105	S51-T99 WeakPolarHBondContact O-CA 3.42Å; S51-T99 WeakPolarHBondContact O-CB 3.25Å; T99-N101 PolarHBondContact O-N 2.86Å; T99-N101 VanDerWaalsContact O-N 3.15Å; T99-N101 PolarHBondContact OG1-N 2.82Å; T99-R102 WeakPolarHBondContact O-CA 3.44Å; T99-R102 PolarHBondContact O-N 2.82Å; T99-T103 VanDerWaalsContact CG2-OG1 3.25Å; T99-T103 WeakPolarHBondContact CG2-OG1 3.49Å; T99-T103 PolarHBondContact N-O 3.02Å; T99-T103 PolarHBondContact OG1-N 3.34Å; T99-T103 PolarHBondContact OG1-OG1 3.07Å; T99-I105 HydrophobicContact CG2-CD1 3.78Å; T99-I105 HydrophobicContact CG2-CG1 4.23Å; T99-I105 HydrophobicContact CG2-CG2 4.16Å
100	K	90.5	Very high	87.9	Confident	86 Å²	86	47.7 Å²	47.7	37%	0.374	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-30.6	169.3	-167.9	173	-172.3	172.1	0	113.2	S51 G52 Y53 E57 R102	S51-K100 PolarHBondContact O-N 3.21Å; G52-K100 WeakPolarHBondContact O-CD 3.48Å; Y53-K100 HydrophobicContact CD1-CB 4.25Å; Y53-K100 HydrophobicContact CD1-CD 3.93Å; Y53-K100 HydrophobicContact CD1-CG 4.08Å; Y53-K100 HydrophobicContact CD2-CB 3.93Å; Y53-K100 HydrophobicContact CE1-CB 4.08Å; Y53-K100 HydrophobicContact CE1-CD 4.17Å; Y53-K100 HydrophobicContact CE1-CG 3.84Å; Y53-K100 HydrophobicContact CE2-CB 3.75Å; Y53-K100 HydrophobicContact CE2-CG 4.43Å; Y53-K100 HydrophobicContact CG-CB 4.19Å; Y53-K100 HydrophobicContact CG-CD 4.3Å; Y53-K100 HydrophobicContact CG-CG 4.48Å; E57-K100 IonicContact OE1-NZ 3.9Å; E57-K100 PolarHBondContact OE1-NZ 2.95Å; E57-K100 IonicContact OE2-NZ 2.83Å; E57-K100 PolarHBondContact OE2-NZ 2.82Å; K100-R102 PolarHBondContact O-N 2.93Å
101	N	88.7	Confident	88.1	Confident	139 Å²	139	44.2 Å²	44.2	74%	0.743	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	13.1	177	-63.7	-2.9	0	0	0	113	T99 T103	T99-N101 PolarHBondContact O-N 2.86Å; T99-N101 VanDerWaalsContact O-N 3.15Å; T99-N101 PolarHBondContact OG1-N 2.82Å; N101-T103 HydrophobicContact CB-CG2 4.45Å; N101-T103 PolarHBondContact O-N 2.92Å
102	R	85.3	Confident	88.2	Confident	166 Å²	166	41.6 Å²	41.6	63%	0.626	20%	0.198	S	C	*	.			trans	57.2	22.6	-176.7	-61.1	-64.3	-166.1	163	3.8	114.9	Y98 T99 K100	Y98-R102 WeakPolarHBondContact CD1-O 3.32Å; T99-R102 WeakPolarHBondContact O-CA 3.44Å; T99-R102 PolarHBondContact O-N 2.82Å; K100-R102 PolarHBondContact O-N 2.93Å
103	T	84.8	Confident	88.4	Confident	70 Å²	70	40.1 Å²	40.1	43%	0.429	19%	0.194	S	C	.	.			trans	-80.2	128.6	171.7	64.5	0	0	0	0	110	Y98 T99 N101	Y98-T103 WeakPolarHBondContact CA-O 3.34Å; T99-T103 VanDerWaalsContact CG2-OG1 3.25Å; T99-T103 WeakPolarHBondContact CG2-OG1 3.49Å; T99-T103 PolarHBondContact N-O 3.02Å; T99-T103 PolarHBondContact OG1-N 3.34Å; T99-T103 PolarHBondContact OG1-OG1 3.07Å; N101-T103 HydrophobicContact CB-CG2 4.45Å; N101-T103 PolarHBondContact O-N 2.92Å
104	P	85.6	Confident	88.5	Confident	63 Å²	63	39.1 Å²	39.1	41%	0.409	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	132.2	175.6	30	-33.8	0	0	0	110.6	L96 L97 Y98	L96-P104 HydrophobicContact CD2-CB 3.83Å; L96-P104 HydrophobicContact CG-CB 4.34Å; L97-P104 WeakPolarHBondContact O-CA 3.13Å; Y98-P104 HydrophobicContact CE1-CB 4.42Å
105	I	86.9	Confident	88.3	Confident	18 Å²	18	39.8 Å²	39.8	9%	0.092	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	138.2	177.3	53.2	171.8	0	0	0	109.5	L50 M68 L96 L97 T99 L107	L50-I105 HydrophobicContact CD1-CD1 4.43Å; M68-I105 HydrophobicContact CE-CD1 4.48Å; L96-I105 WeakPolarHBondContact CA-O 3.27Å; L97-I105 PolarHBondContact N-O 2.82Å; L97-I105 VanDerWaalsContact O-CG1 3.28Å; L97-I105 WeakPolarHBondContact O-CG1 3.38Å; L97-I105 PolarHBondContact O-N 2.95Å; T99-I105 HydrophobicContact CG2-CD1 3.78Å; T99-I105 HydrophobicContact CG2-CG1 4.23Å; T99-I105 HydrophobicContact CG2-CG2 4.16Å; I105-L107 HydrophobicContact CD1-CD1 4Å; I105-L107 HydrophobicContact CD1-CD2 4.03Å; I105-L107 HydrophobicContact CD1-CG 4.06Å; I105-L107 HydrophobicContact CG1-CD2 4.48Å; I105-L107 HydrophobicContact CG1-CG 4.27Å
106	W	86.6	Confident	88.1	Confident	70 Å²	70	42 Å²	42	27%	0.265	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	116.4	171.8	-78	93.5	0	0	0	109.4	L96 I131 T132 K135	L96-W106 HydrophobicContact CB-CD2 4.07Å; L96-W106 HydrophobicContact CB-CE3 4.17Å; L96-W106 HydrophobicContact CB-CH2 4.23Å; L96-W106 HydrophobicContact CB-CZ2 4.13Å; L96-W106 HydrophobicContact CB-CZ3 4.25Å; L96-W106 HydrophobicContact CD1-CZ2 4.03Å; W106-I131 HydrophobicContact CB-CD1 4.48Å; W106-I131 HydrophobicContact CB-CG1 3.84Å; W106-I131 VanDerWaalsContact O-CG1 3.31Å; W106-I131 WeakPolarHBondContact O-CG1 3.25Å; W106-I131 PolarHBondContact O-N 2.64Å; W106-T132 PolarHBondContact N-OG1 2.92Å; W106-T132 PolarHBondContact O-N 2.73Å; W106-K135 HydrophobicContact CB-CB 4.3Å; W106-K135 HydrophobicContact CB-CG 4.18Å; W106-K135 HydrophobicContact CD2-CB 4.26Å; W106-K135 HydrophobicContact CD2-CG 4.17Å; W106-K135 HydrophobicContact CG-CB 3.83Å; W106-K135 HydrophobicContact CG-CG 3.97Å
107	L	88	Confident	87.7	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	133	176.6	-62.3	-171.8	0	0	0	110.7	L50 V95 L97 I105 F128 D130	L50-L107 HydrophobicContact CD1-CD2 4.13Å; L50-L107 HydrophobicContact CD2-CD1 4.13Å; L50-L107 HydrophobicContact CD2-CD2 3.93Å; L50-L107 HydrophobicContact CG-CD2 4.33Å; V95-L107 PolarHBondContact N-O 3.17Å; V95-L107 PolarHBondContact O-N 2.86Å; L97-L107 HydrophobicContact CD1-CD1 4.17Å; I105-L107 HydrophobicContact CD1-CD1 4Å; I105-L107 HydrophobicContact CD1-CD2 4.03Å; I105-L107 HydrophobicContact CD1-CG 4.06Å; I105-L107 HydrophobicContact CG1-CD2 4.48Å; I105-L107 HydrophobicContact CG1-CG 4.27Å; L107-F128 HydrophobicContact CB-CD1 4.4Å; L107-F128 HydrophobicContact CD1-CB 4.37Å; L107-F128 HydrophobicContact CD1-CD1 3.97Å; L107-F128 HydrophobicContact CD1-CG 4.47Å; L107-D130 HydrophobicContact CD2-CB 4.21Å
108	Y	87.3	Confident	87.3	Confident	20 Å²	20	51.8 Å²	51.8	8%	0.078	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	112.3	163.2	-170.5	-95	0	0	0	107.7	F92 E94 F128 R129 L185	F92-Y108 HydrophobicContact CB-CE1 4.37Å; F92-Y108 AromaticContact CD1-CE1 3.57Å; F92-Y108 HydrophobicContact CD1-CE1 3.57Å; F92-Y108 AromaticContact CD1-CZ 3.75Å; F92-Y108 WeakPolarHBondContact CD1-OH 3.45Å; F92-Y108 HydrophobicContact CE1-CE1 4.31Å; F92-Y108 HydrophobicContact CG-CE1 4.38Å; E94-Y108 HydrophobicContact CG-CD2 3.96Å; E94-Y108 HydrophobicContact CG-CE2 4.42Å; Y108-F128 WeakPolarHBondContact O-CA 3.25Å; Y108-R129 PolarHBondContact N-O 3.27Å; Y108-R129 PolarHBondContact O-N 2.88Å; Y108-L185 HydrophobicContact CD1-CD1 3.96Å; Y108-L185 HydrophobicContact CE1-CB 4.17Å; Y108-L185 HydrophobicContact CE1-CD1 3.71Å; Y108-L185 HydrophobicContact CE2-CD1 4.41Å; Y108-L185 HydrophobicContact CG-CD1 4.4Å
109	M	89.2	Confident	86.9	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	113.6	-176.5	-175.7	-179.6	-175.2	0	0	109.8	S63 I81 F85 F92 H93 V95 I111 C126 T127 F128	S63-M109 WeakPolarHBondContact O-CE 3.36Å; I81-M109 HydrophobicContact CD1-SD 4.24Å; F85-M109 HydrophobicContact CE2-CE 4.48Å; F85-M109 HydrophobicContact CZ-CE 4.41Å; F92-M109 WeakPolarHBondContact CA-O 3.35Å; H93-M109 PolarHBondContact N-O 3.15Å; H93-M109 PolarHBondContact O-N 3.17Å; V95-M109 HydrophobicContact CG1-CB 4.35Å; M109-I111 HydrophobicContact CE-CD1 4.15Å; M109-I111 HydrophobicContact CE-CG1 3.95Å; M109-I111 HydrophobicContact CG-CG1 4.3Å; M109-I111 HydrophobicContact SD-CG1 4.5Å; M109-C126 HydrophobicContact CE-CB 3.9Å; M109-T127 WeakPolarHBondContact CA-O 3.44Å; M109-F128 HydrophobicContact CB-CD1 4.2Å; M109-F128 HydrophobicContact CB-CE1 4.21Å; M109-F128 HydrophobicContact CE-CE1 4.02Å; M109-F128 HydrophobicContact CE-CZ 3.99Å; M109-F128 HydrophobicContact CG-CD1 4.08Å; M109-F128 HydrophobicContact CG-CE1 3.67Å; M109-F128 HydrophobicContact CG-CZ 4.31Å; M109-F128 HydrophobicContact SD-CE1 3.83Å; M109-F128 HydrophobicContact SD-CZ 4.41Å
110	Q	87.3	Confident	86.8	Confident	14 Å²	14	61.7 Å²	61.7	7%	0.065	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	125.6	167.5	177.4	-175.3	17.2	0	0	108.5	F92 C126 T127	F92-Q110 HydrophobicContact CD1-CB 3.66Å; F92-Q110 HydrophobicContact CD1-CG 3.68Å; F92-Q110 HydrophobicContact CE1-CB 3.78Å; F92-Q110 VanDerWaalsContact CE1-CD 3.42Å; F92-Q110 HydrophobicContact CE1-CG 3.38Å; F92-Q110 HydrophobicContact CZ-CG 4.02Å; Q110-C126 CarbonylContact O-C 3.54Å; Q110-C126 VanDerWaalsContact O-CA 3.25Å; Q110-C126 WeakPolarHBondContact O-CA 3.43Å; Q110-T127 PolarHBondContact N-O 3.02Å; Q110-T127 PolarHBondContact O-N 3.38Å; Q110-T127 PolarHBondContact OE1-OG1 3.2Å
111	I	90.6	Very high	86.7	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	130.2	170.8	-59.9	165	0	0	0	107.6	I81 T84 F85 S90 N91 M109 F124	I81-I111 HydrophobicContact CG2-CD1 4.11Å; T84-I111 HydrophobicContact CG2-CB 3.93Å; T84-I111 HydrophobicContact CG2-CD1 3.87Å; T84-I111 HydrophobicContact CG2-CG2 3.94Å; F85-I111 HydrophobicContact CD2-CD1 4.15Å; F85-I111 HydrophobicContact CE1-CG2 4.22Å; F85-I111 HydrophobicContact CE2-CD1 3.67Å; F85-I111 HydrophobicContact CE2-CG1 4.36Å; F85-I111 HydrophobicContact CZ-CD1 4.14Å; F85-I111 HydrophobicContact CZ-CG1 4.34Å; F85-I111 HydrophobicContact CZ-CG2 4.3Å; S90-I111 VanDerWaalsContact CA-O 3.3Å; S90-I111 WeakPolarHBondContact CA-O 3.44Å; N91-I111 PolarHBondContact N-O 2.93Å; N91-I111 PolarHBondContact O-N 3.35Å; M109-I111 HydrophobicContact CE-CD1 4.15Å; M109-I111 HydrophobicContact CE-CG1 3.95Å; M109-I111 HydrophobicContact CG-CG1 4.3Å; M109-I111 HydrophobicContact SD-CG1 4.5Å; I111-F124 HydrophobicContact CG2-CD1 3.87Å; I111-F124 HydrophobicContact CG2-CE1 4.39Å
112	A	88.8	Confident	86.8	Confident	4 Å²	4	52.8 Å²	52.8	3%	0.033	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	124.7	176.6	0	0	0	0	0	111.5	F124 L125 L192	A112-F124 WeakPolarHBondContact O-CA 3.46Å; A112-L125 PolarHBondContact N-O 3.43Å; A112-L125 PolarHBondContact O-N 3.42Å; A112-L192 HydrophobicContact CB-CD2 3.58Å
113	P	90.8	Very high	87.1	Confident	26 Å²	26	45.8 Å²	45.8	17%	0.169	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	140.5	175	32.9	-37.9	0	0	0	110.6	H88 V121 F124	H88-P113 WeakPolarHBondContact O-CG 3.43Å; P113-V121 HydrophobicContact CB-CG1 3.82Å; P113-V121 HydrophobicContact CB-CG2 4.17Å; P113-F124 HydrophobicContact CB-CD1 4.29Å; P113-F124 HydrophobicContact CB-CE1 4.02Å
114	I	88.2	Confident	87.4	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	127.8	-179.5	-71	-177.2	0	0	0	110.2	F15 I19 L30 V121 V122 L123 L125 L192	F15-I114 HydrophobicContact CE2-CD1 3.81Å; F15-I114 HydrophobicContact CE2-CG2 3.57Å; F15-I114 HydrophobicContact CZ-CD1 3.65Å; F15-I114 HydrophobicContact CZ-CG2 3.86Å; I19-I114 HydrophobicContact CD1-CD1 4.38Å; L30-I114 HydrophobicContact CD2-CD1 4.49Å; I114-V121 WeakPolarHBondContact O-CA 3.35Å; I114-V122 WeakPolarHBondContact O-CG2 3.42Å; I114-V122 PolarHBondContact O-N 2.8Å; I114-L123 HydrophobicContact CB-CB 4.08Å; I114-L123 HydrophobicContact CG2-CB 4.28Å; I114-L123 PolarHBondContact N-O 2.84Å; I114-L123 PolarHBondContact O-N 2.92Å; I114-L125 HydrophobicContact CD1-CB 3.52Å; I114-L125 HydrophobicContact CD1-CD2 4.33Å; I114-L125 HydrophobicContact CG1-CB 4.32Å; I114-L192 HydrophobicContact CD1-CD2 4.25Å; I114-L192 HydrophobicContact CG1-CD2 3.89Å
115	R	86.1	Confident	87.7	Confident	100 Å²	100	39.6 Å²	39.6	38%	0.377	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	147.9	-171.7	-60.2	-178	175.5	-135.8	-4.5	112	D119 K120 V121 Q194 Y195	R115-D119 VanDerWaalsContact CD-O 3.31Å; R115-D119 WeakPolarHBondContact CD-O 3.45Å; R115-D119 WeakPolarHBondContact CD-OD1 3.37Å; R115-D119 WeakPolarHBondContact CG-O 3.37Å; R115-D119 IonicContact CZ-OD1 3.67Å; R115-D119 IonicContact NE-OD1 3.1Å; R115-D119 PolarHBondContact NH1-O 2.93Å; R115-D119 IonicContact NH1-OD1 2.67Å; R115-D119 PolarHBondContact NH1-OD1 3.5Å; R115-D119 IonicContact NH1-OD2 2.68Å; R115-D119 PolarHBondContact NH1-OD2 3.31Å; R115-K120 WeakPolarHBondContact CA-O 3.36Å; R115-V121 HydrophobicContact CG-CG2 4.1Å; R115-Q194 WeakPolarHBondContact O-CA 3.5Å; R115-Y195 PolarHBondContact O-N 2.94Å
116	N	85.2	Confident	87.9	Confident	48 Å²	48	38.8 Å²	38.8	26%	0.257	19%	0.186	S	C	.	.	B	Isolated β-bridge	trans	-90.7	177.9	173.8	-165	-10	0	0	0	109.9	N118 D119 K120 V122 Y195	N116-N118 PolarHBondContact O-N 3.23Å; N116-N118 VanDerWaalsContact O-N 3.09Å; N116-D119 PolarHBondContact O-N 3.5Å; N116-K120 PolarHBondContact N-O 3.11Å; N116-V122 HydrophobicContact CB-CG1 3.72Å; N116-V122 HydrophobicContact CB-CG2 3.96Å; N116-Y195 PolarHBondContact OD1-O 3.39Å
117	E	80.4	Confident	87.9	Confident	93 Å²	93	36.4 Å²	36.4	44%	0.435	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-32.2	-179.2	-36.8	-161.6	-169.7	0	0	113.4	D119 K196	E117-D119 VanDerWaalsContact C-N 3.26Å; E117-D119 PolarHBondContact O-N 3.28Å; E117-K196 HydrophobicContact CG-CB 4.02Å; E117-K196 HydrophobicContact CG-CD 3.98Å; E117-K196 HydrophobicContact CG-CG 3.66Å; E117-K196 IonicContact OE2-NZ 2.72Å; E117-K196 PolarHBondContact OE2-NZ 3.32Å
118	N	83.4	Confident	87.9	Confident	130 Å²	130	36.6 Å²	36.6	70%	0.695	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.9	24.5	-178.4	-59.7	-25.9	0	0	0	112.8	N116 K120	N116-N118 PolarHBondContact O-N 3.23Å; N116-N118 VanDerWaalsContact O-N 3.09Å; N118-K120 PolarHBondContact O-N 3.45Å
119	D	81.6	Confident	87.8	Confident	97 Å²	97	38.9 Å²	38.9	52%	0.519	19%	0.189	S	C	.	.	S	Bend	trans	58.2	-7.5	-176.6	-165.5	47.9	0	0	0	116.7	R115 N116 E117	R115-D119 VanDerWaalsContact CD-O 3.31Å; R115-D119 WeakPolarHBondContact CD-O 3.45Å; R115-D119 WeakPolarHBondContact CD-OD1 3.37Å; R115-D119 WeakPolarHBondContact CG-O 3.37Å; R115-D119 IonicContact CZ-OD1 3.67Å; R115-D119 IonicContact NE-OD1 3.1Å; R115-D119 PolarHBondContact NH1-O 2.93Å; R115-D119 IonicContact NH1-OD1 2.67Å; R115-D119 PolarHBondContact NH1-OD1 3.5Å; R115-D119 IonicContact NH1-OD2 2.68Å; R115-D119 PolarHBondContact NH1-OD2 3.31Å; N116-D119 PolarHBondContact O-N 3.5Å; E117-D119 VanDerWaalsContact C-N 3.26Å; E117-D119 PolarHBondContact O-N 3.28Å
120	K	87.3	Confident	87.5	Confident	148 Å²	148	41.9 Å²	41.9	64%	0.643	21%	0.205	S	C	*	.			trans	-65.7	134	175.9	-64.8	-174.6	179.8	-174.7	0	111.6	R115 N116 N118	R115-K120 WeakPolarHBondContact CA-O 3.36Å; N116-K120 PolarHBondContact N-O 3.11Å; N118-K120 PolarHBondContact O-N 3.45Å
121	V	88.6	Confident	87.3	Confident	21 Å²	21	41.7 Å²	41.7	13%	0.127	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	132.6	168.6	-169.8	0	0	0	0	109.3	A33 Q34 H88 P113 I114 R115	A33-V121 HydrophobicContact CB-CG1 3.75Å; Q34-V121 PolarHBondContact NE2-O 2.64Å; H88-V121 HydrophobicContact CB-CG2 4.46Å; P113-V121 HydrophobicContact CB-CG1 3.82Å; P113-V121 HydrophobicContact CB-CG2 4.17Å; I114-V121 WeakPolarHBondContact O-CA 3.35Å; R115-V121 HydrophobicContact CG-CG2 4.1Å
122	V	90.5	Very high	86.6	Confident	18 Å²	18	42.3 Å²	42.3	11%	0.109	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	-30.1	-179.2	-75.3	0	0	0	0	112.8	A33 I114 N116 Y195	A33-V122 PolarHBondContact N-O 3.11Å; I114-V122 WeakPolarHBondContact O-CG2 3.42Å; I114-V122 PolarHBondContact O-N 2.8Å; N116-V122 HydrophobicContact CB-CG1 3.72Å; N116-V122 HydrophobicContact CB-CG2 3.96Å; V122-Y195 HydrophobicContact CG2-CD1 4.38Å; V122-Y195 HydrophobicContact CG2-CG 4.33Å
123	L	92.1	Very high	85.6	Confident	18 Å²	18	46.2 Å²	46.2	9%	0.094	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	157.3	-176.7	-67.2	170	0	0	0	110	F15 G31 V41 I114 Y195	F15-L123 HydrophobicContact CE1-CD1 3.78Å; F15-L123 HydrophobicContact CZ-CD1 3.83Å; G31-L123 CarbonylContact O-C 3.53Å; G31-L123 WeakPolarHBondContact O-CA 3.36Å; G31-L123 WeakPolarHBondContact O-CD2 3.21Å; V41-L123 HydrophobicContact CG2-CD2 4Å; I114-L123 HydrophobicContact CB-CB 4.08Å; I114-L123 HydrophobicContact CG2-CB 4.28Å; I114-L123 PolarHBondContact N-O 2.84Å; I114-L123 PolarHBondContact O-N 2.92Å; L123-Y195 HydrophobicContact CD1-CD2 3.57Å; L123-Y195 HydrophobicContact CD1-CE2 3.99Å; L123-Y195 HydrophobicContact CD1-CG 4.12Å
124	F	91.8	Very high	84.4	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	128.7	163.5	-75.4	-80.6	0	0	0	109	L30 G31 A33 W38 F85 H88 I111 A112 P113	L30-F124 CarbonylContact C-O 3.6Å; L30-F124 VanDerWaalsContact CA-O 3.32Å; L30-F124 WeakPolarHBondContact CA-O 3.23Å; G31-F124 PolarHBondContact N-O 3.24Å; G31-F124 PolarHBondContact O-N 3.47Å; A33-F124 HydrophobicContact CB-CD2 3.59Å; A33-F124 HydrophobicContact CB-CE2 3.46Å; A33-F124 VanDerWaalsContact CB-CE2 3.46Å; A33-F124 HydrophobicContact CB-CZ 4.39Å; W38-F124 AromaticContact CD1-CE2 3.95Å; F85-F124 HydrophobicContact CB-CZ 4.46Å; F85-F124 HydrophobicContact CD1-CB 4.32Å; F85-F124 AromaticContact CD1-CD1 3.96Å; F85-F124 HydrophobicContact CD1-CD1 3.96Å; F85-F124 AromaticContact CD1-CD2 3.6Å; F85-F124 HydrophobicContact CD1-CD2 3.6Å; F85-F124 HydrophobicContact CD1-CE1 4.1Å; F85-F124 AromaticContact CD1-CE2 3.75Å; F85-F124 HydrophobicContact CD1-CE2 3.75Å; F85-F124 AromaticContact CD1-CG 3.71Å; F85-F124 HydrophobicContact CD1-CG 3.71Å; F85-F124 HydrophobicContact CD1-CZ 4Å; F85-F124 HydrophobicContact CE1-CB 3.82Å; F85-F124 HydrophobicContact CE1-CD1 4.17Å; F85-F124 AromaticContact CE1-CD2 3.94Å; F85-F124 HydrophobicContact CE1-CD2 3.94Å; F85-F124 AromaticContact CE1-CG 3.73Å; F85-F124 HydrophobicContact CE1-CG 3.73Å; F85-F124 WeakPolarHBondContact O-CZ 3.33Å; H88-F124 AromaticContact CD2-CZ 3.82Å; I111-F124 HydrophobicContact CG2-CD1 3.87Å; I111-F124 HydrophobicContact CG2-CE1 4.39Å; A112-F124 WeakPolarHBondContact O-CA 3.46Å; P113-F124 HydrophobicContact CB-CD1 4.29Å; P113-F124 HydrophobicContact CB-CE1 4.02Å
125	L	91.1	Very high	83.5	Confident	4 Å²	4	54.4 Å²	54.4	2%	0.021	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	118.5	166.6	170.3	64.3	0	0	0	108.4	I19 F28 L30 A112 I114 T127 L192	I19-L125 HydrophobicContact CD1-CD2 4.4Å; I19-L125 HydrophobicContact CG2-CD1 4.31Å; F28-L125 HydrophobicContact CB-CD1 3.87Å; F28-L125 HydrophobicContact CD2-CD1 3.54Å; F28-L125 HydrophobicContact CE2-CD1 4.34Å; F28-L125 HydrophobicContact CG-CD1 3.93Å; L30-L125 HydrophobicContact CD2-CB 4.04Å; L30-L125 HydrophobicContact CD2-CD1 3.91Å; A112-L125 PolarHBondContact N-O 3.43Å; A112-L125 PolarHBondContact O-N 3.42Å; I114-L125 HydrophobicContact CD1-CB 3.52Å; I114-L125 HydrophobicContact CD1-CD2 4.33Å; I114-L125 HydrophobicContact CG1-CB 4.32Å; L125-T127 HydrophobicContact CD1-CG2 4.07Å; L125-T127 HydrophobicContact CD2-CG2 4.23Å; L125-T127 HydrophobicContact CG-CG2 3.93Å; L125-L192 HydrophobicContact CD2-CD2 4.49Å
126	C	90.4	Very high	82.1	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	114.5	172.6	-55.8	0	0	0	0	108.7	F28 L29 M109 Q110 F128	F28-C126 CarbonylContact C-O 3.49Å; F28-C126 VanDerWaalsContact CA-O 3.24Å; F28-C126 WeakPolarHBondContact CA-O 3.32Å; F28-C126 WeakPolarHBondContact CB-O 3.26Å; L29-C126 HydrophobicContact CD1-CB 3.74Å; L29-C126 HydrophobicContact CG-CB 3.93Å; L29-C126 PolarHBondContact N-O 2.92Å; L29-C126 PolarHBondContact O-N 3.29Å; M109-C126 HydrophobicContact CE-CB 3.9Å; Q110-C126 CarbonylContact O-C 3.54Å; Q110-C126 VanDerWaalsContact O-CA 3.25Å; Q110-C126 WeakPolarHBondContact O-CA 3.43Å; C126-F128 HydrophobicContact CB-CE2 4.07Å; C126-F128 HydrophobicContact CB-CZ 4.06Å; C126-F128 WeakPolarHBondContact O-CE2 3.32Å
127	T	88.3	Confident	80.3	Confident	21 Å²	21	57.5 Å²	57.5	13%	0.129	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	146.5	175.5	81.2	0	0	0	0	110.5	S27 F28 M109 Q110 L125	S27-T127 CarbonylContact O-C 3.42Å; S27-T127 WeakPolarHBondContact O-CA 3.21Å; F28-T127 HydrophobicContact CB-CG2 4.16Å; M109-T127 WeakPolarHBondContact CA-O 3.44Å; Q110-T127 PolarHBondContact N-O 3.02Å; Q110-T127 PolarHBondContact O-N 3.38Å; Q110-T127 PolarHBondContact OE1-OG1 3.2Å; L125-T127 HydrophobicContact CD1-CG2 4.07Å; L125-T127 HydrophobicContact CD2-CG2 4.23Å; L125-T127 HydrophobicContact CG-CG2 3.93Å
128	F	87.8	Confident	78.8	Confident	3 Å²	3	57.9 Å²	57.9	1%	0.013	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	133	-176.3	-54.9	-92.8	0	0	0	110.7	S27 L29 F47 L50 L107 Y108 M109 C126	S27-F128 PolarHBondContact O-N 3.38Å; L29-F128 HydrophobicContact CD2-CE2 3.77Å; L29-F128 HydrophobicContact CD2-CZ 3.84Å; L29-F128 HydrophobicContact CG-CE2 3.86Å; L29-F128 HydrophobicContact CG-CZ 4.27Å; F47-F128 AromaticContact CD2-CD2 3.52Å; F47-F128 HydrophobicContact CD2-CD2 3.52Å; F47-F128 AromaticContact CD2-CE2 3.63Å; F47-F128 HydrophobicContact CD2-CE2 3.63Å; F47-F128 HydrophobicContact CD2-CG 4.25Å; F47-F128 HydrophobicContact CD2-CZ 4.44Å; F47-F128 AromaticContact CE2-CD2 3.69Å; F47-F128 HydrophobicContact CE2-CD2 3.69Å; F47-F128 HydrophobicContact CE2-CE1 4.34Å; F47-F128 AromaticContact CE2-CE2 3.46Å; F47-F128 HydrophobicContact CE2-CE2 3.46Å; F47-F128 VanDerWaalsContact CE2-CE2 3.46Å; F47-F128 HydrophobicContact CE2-CG 4.22Å; F47-F128 AromaticContact CE2-CZ 3.82Å; F47-F128 HydrophobicContact CE2-CZ 3.82Å; L50-F128 HydrophobicContact CD2-CB 4.03Å; L107-F128 HydrophobicContact CB-CD1 4.4Å; L107-F128 HydrophobicContact CD1-CB 4.37Å; L107-F128 HydrophobicContact CD1-CD1 3.97Å; L107-F128 HydrophobicContact CD1-CG 4.47Å; Y108-F128 WeakPolarHBondContact O-CA 3.25Å; M109-F128 HydrophobicContact CB-CD1 4.2Å; M109-F128 HydrophobicContact CB-CE1 4.21Å; M109-F128 HydrophobicContact CE-CE1 4.02Å; M109-F128 HydrophobicContact CE-CZ 3.99Å; M109-F128 HydrophobicContact CG-CD1 4.08Å; M109-F128 HydrophobicContact CG-CE1 3.67Å; M109-F128 HydrophobicContact CG-CZ 4.31Å; M109-F128 HydrophobicContact SD-CE1 3.83Å; M109-F128 HydrophobicContact SD-CZ 4.41Å; C126-F128 HydrophobicContact CB-CE2 4.07Å; C126-F128 HydrophobicContact CB-CZ 4.06Å; C126-F128 WeakPolarHBondContact O-CE2 3.32Å
129	R	85.1	Confident	76.9	Confident	69 Å²	69	60.7 Å²	60.7	26%	0.26	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	132.1	169	-170.6	177.9	-64.5	-99.5	4.9	109.6	Y108 I131	Y108-R129 PolarHBondContact N-O 3.27Å; Y108-R129 PolarHBondContact O-N 2.88Å; R129-I131 PolarHBondContact O-N 3.03Å
130	D	83.1	Confident	74.8	Confident	64 Å²	64	59.9 Å²	59.9	34%	0.342	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	124.6	174.1	-176.4	8.6	0	0	0	110.3	L50 L107 T132	L50-D130 HydrophobicContact CD1-CB 4.26Å; L107-D130 HydrophobicContact CD2-CB 4.21Å; D130-T132 WeakPolarHBondContact OD1-CB 3.23Å; D130-T132 PolarHBondContact OD1-N 2.66Å; D130-T132 PolarHBondContact OD1-OG1 3.01Å
131	I	82.1	Confident	72.8	Confident	10 Å²	10	61.2 Å²	61.2	5%	0.051	31%	0.31	C	S	.	.			trans	-122.1	11.4	175.9	61.7	166.3	0	0	0	112.2	E94 W106 R129 L133 F134 K135	E94-I131 HydrophobicContact CB-CD1 4.39Å; E94-I131 HydrophobicContact CG-CD1 3.97Å; W106-I131 HydrophobicContact CB-CD1 4.48Å; W106-I131 HydrophobicContact CB-CG1 3.84Å; W106-I131 VanDerWaalsContact O-CG1 3.31Å; W106-I131 WeakPolarHBondContact O-CG1 3.25Å; W106-I131 PolarHBondContact O-N 2.64Å; R129-I131 PolarHBondContact O-N 3.03Å; I131-L133 PolarHBondContact O-N 3.36Å; I131-L133 VanDerWaalsContact O-N 3.16Å; I131-F134 HydrophobicContact CB-CD2 4.33Å; I131-F134 WeakPolarHBondContact O-CA 3.13Å; I131-F134 PolarHBondContact O-N 2.67Å; I131-K135 HydrophobicContact CD1-CG 4.22Å; I131-K135 HydrophobicContact CG1-CG 4.39Å; I131-K135 PolarHBondContact O-N 2.79Å
132	T	76.4	Confident	70.9	Confident	13 Å²	13	64.9 Å²	64.9	8%	0.08	34%	0.337	C	S	.	.	H	α-helix	trans	-51.9	-40.8	179.7	-52.7	0	0	0	0	112	W106 D130 F134 K135 Q136	W106-T132 PolarHBondContact N-OG1 2.92Å; W106-T132 PolarHBondContact O-N 2.73Å; D130-T132 WeakPolarHBondContact OD1-CB 3.23Å; D130-T132 PolarHBondContact OD1-N 2.66Å; D130-T132 PolarHBondContact OD1-OG1 3.01Å; T132-F134 PolarHBondContact O-N 2.98Å; T132-K135 PolarHBondContact O-N 3.43Å; T132-K135 VanDerWaalsContact O-N 3.12Å; T132-Q136 HydrophobicContact CG2-CG 4.07Å; T132-Q136 PolarHBondContact O-N 2.66Å
133	L	67.9	Low	68.8	Low	86 Å²	86	64.9 Å²	64.9	45%	0.45	34%	0.339	S	S	.	.	H	α-helix	trans	-72.1	-10.6	-180	-67	156.4	0	0	0	114.2	I131 A155	I131-L133 PolarHBondContact O-N 3.36Å; I131-L133 VanDerWaalsContact O-N 3.16Å; L133-A155 HydrophobicContact CB-CB 4.23Å; L133-A155 HydrophobicContact CD1-CB 3.76Å; L133-A155 HydrophobicContact CD2-CB 4.42Å; L133-A155 HydrophobicContact CG-CB 4.35Å
134	F	65.8	Low	67	Low	115 Å²	115	74.8 Å²	74.8	50%	0.504	38%	0.375	S	S	.	.	H	α-helix	trans	-102.5	-10.1	171.1	-60.8	-78.7	0	0	0	113.2	I131 T132 L156	I131-F134 HydrophobicContact CB-CD2 4.33Å; I131-F134 WeakPolarHBondContact O-CA 3.13Å; I131-F134 PolarHBondContact O-N 2.67Å; T132-F134 PolarHBondContact O-N 2.98Å; F134-L156 HydrophobicContact CE1-CD2 4.4Å; F134-L156 HydrophobicContact CZ-CD2 4.41Å
135	K	68.3	Low	65.1	Low	84 Å²	84	77 Å²	77	37%	0.365	40%	0.399	S	S	.	.	H	α-helix	trans	-111.9	-23	-176.7	-67.4	-70.5	-172.8	174.6	0	114.1	E94 W106 I131 T132	E94-K135 VanDerWaalsContact OE1-CE 3.31Å; E94-K135 WeakPolarHBondContact OE1-CE 3.24Å; E94-K135 IonicContact OE1-NZ 3.09Å; E94-K135 PolarHBondContact OE1-NZ 2.92Å; E94-K135 VanDerWaalsContact OE1-NZ 3.09Å; E94-K135 WeakPolarHBondContact OE2-CE 3.45Å; E94-K135 IonicContact OE2-NZ 2.64Å; E94-K135 PolarHBondContact OE2-NZ 3.18Å; W106-K135 HydrophobicContact CB-CB 4.3Å; W106-K135 HydrophobicContact CB-CG 4.18Å; W106-K135 HydrophobicContact CD2-CB 4.26Å; W106-K135 HydrophobicContact CD2-CG 4.17Å; W106-K135 HydrophobicContact CG-CB 3.83Å; W106-K135 HydrophobicContact CG-CG 3.97Å; I131-K135 HydrophobicContact CD1-CG 4.22Å; I131-K135 HydrophobicContact CG1-CG 4.39Å; I131-K135 PolarHBondContact O-N 2.79Å; T132-K135 PolarHBondContact O-N 3.43Å; T132-K135 VanDerWaalsContact O-N 3.12Å
136	Q	57.8	Low	63.3	Low	99 Å²	99	87.9 Å²	87.9	46%	0.463	44%	0.44	S	S	.	.			trans	-69.9	143.5	167	-75.4	-176.3	-14	0	0	110	T132	T132-Q136 HydrophobicContact CG2-CG 4.07Å; T132-Q136 PolarHBondContact O-N 2.66Å
137	P	47.2	Very low	61.7	Low	114 Å²	114	91 Å²	91	74%	0.74	46%	0.459	S	S	*	.				-107.3	120.9	53.9	34.8	-32.2	0	0	0	113.8
138	I	47.8	Very low	59.8	Low	101 Å²	101	94.2 Å²	94.2	52%	0.518	47%	0.471	S	S	.	.			trans	-120.5	125.5	165	-62.5	178	0	0	0	106.3
139	E	44.6	Very low	58	Low	189 Å²	189	101 Å²	101	88%	0.883	50%	0.501	S	S	*	.	S	Bend	trans	54.7	72.6	169.9	-67	172.1	-167.1	0	0	117.1
140	D	36.3	Very low	56.5	Low	81 Å²	81	99.8 Å²	99.8	43%	0.433	51%	0.505	S	S	.	.			trans	-159.4	108	136.1	-162.3	-11.5	0	0	0	111.1	S142 K148	D140-S142 VanDerWaalsContact C-N 3.31Å; D140-S142 VanDerWaalsContact CG-OG 3.25Å; D140-S142 VanDerWaalsContact OD1-CB 3.26Å; D140-S142 WeakPolarHBondContact OD1-CB 3.3Å; D140-S142 PolarHBondContact OD1-N 3.06Å; D140-S142 PolarHBondContact OD1-OG 2.89Å; D140-S142 PolarHBondContact OD2-OG 2.97Å; D140-K148 PolarHBondContact O-NZ 3.2Å
141	D	45	Very low	55	Low	175 Å²	175	103 Å²	103	94%	0.936	51%	0.513	S	S	*	.	S	Bend	trans	-83.4	-6.3	178.6	-125.3	0.2	0	0	0	112.7
142	S	49.4	Very low	53.3	Low	98 Å²	98	105.7 Å²	105.7	69%	0.685	53%	0.527	S	S	*	.	S	Bend	trans	-84.9	-18.4	-177.6	75.4	0	0	0	0	114.6	D140	D140-S142 VanDerWaalsContact C-N 3.31Å; D140-S142 VanDerWaalsContact CG-OG 3.25Å; D140-S142 VanDerWaalsContact OD1-CB 3.26Å; D140-S142 WeakPolarHBondContact OD1-CB 3.3Å; D140-S142 PolarHBondContact OD1-N 3.06Å; D140-S142 PolarHBondContact OD1-OG 2.89Å; D140-S142 PolarHBondContact OD2-OG 2.97Å
143	A	47.1	Very low	51.9	Low	19 Å²	19	108.1 Å²	108.1	16%	0.157	54%	0.542	C	S	.	.			trans	-102.2	109.6	-163.4	0	0	0	0	0	114.7	K148	A143-K148 WeakPolarHBondContact O-CE 3.37Å; A143-K148 PolarHBondContact O-NZ 3.48Å
144	R	54.6	Low	51.1	Low	225 Å²	225	112.8 Å²	112.8	85%	0.849	55%	0.553	S	S	*	*			trans	-58.1	146	174.7	-72.8	-176.4	175.4	-179.4	-1.2	113.1	W146 T147	R144-W146 VanDerWaalsContact C-N 3.31Å; R144-W146 PolarHBondContact O-N 3.22Å; R144-W146 VanDerWaalsContact O-N 3.08Å; R144-T147 PolarHBondContact O-N 2.94Å; R144-T147 VanDerWaalsContact O-N 3.11Å; R144-T147 PolarHBondContact O-OG1 2.89Å
145	G	51.5	Low	50.1	Low	48 Å²	48	108.3 Å²	108.3	50%	0.495	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-26.9	-164.4	0	0	0	0	0	117.5	T147 K148 F149	G145-T147 PolarHBondContact O-N 3.4Å; G145-K148 WeakPolarHBondContact O-CA 3.25Å; G145-K148 WeakPolarHBondContact O-CB 3.44Å; G145-K148 PolarHBondContact O-N 2.84Å; G145-F149 PolarHBondContact O-N 2.99Å
146	W	52.2	Low	48.8	Very low	231 Å²	231	107 Å²	107	88%	0.875	53%	0.534	S	S	*	.	H	α-helix	trans	-60.7	-33.8	177.1	-156	-85.6	0	0	0	112.3	R144 K148 A150	R144-W146 VanDerWaalsContact C-N 3.31Å; R144-W146 PolarHBondContact O-N 3.22Å; R144-W146 VanDerWaalsContact O-N 3.08Å; W146-K148 VanDerWaalsContact C-N 3.32Å; W146-A150 VanDerWaalsContact O-CB 3.32Å; W146-A150 WeakPolarHBondContact O-CB 3.3Å; W146-A150 PolarHBondContact O-N 3.36Å
147	T	56.7	Low	48.3	Very low	66 Å²	66	106.5 Å²	106.5	41%	0.405	54%	0.538	S	S	.	.	H	α-helix	trans	-73.8	-23.2	174.8	72	0	0	0	0	113	R144 G145 R151	R144-T147 PolarHBondContact O-N 2.94Å; R144-T147 VanDerWaalsContact O-N 3.11Å; R144-T147 PolarHBondContact O-OG1 2.89Å; G145-T147 PolarHBondContact O-N 3.4Å; T147-R151 WeakPolarHBondContact O-CB 3.28Å; T147-R151 WeakPolarHBondContact O-CG 3.44Å; T147-R151 PolarHBondContact O-N 3.36Å; T147-R151 PolarHBondContact O-NE 3.1Å; T147-R151 PolarHBondContact OG1-NH2 2.84Å
148	K	49.8	Very low	48.2	Very low	89 Å²	89	107.8 Å²	107.8	39%	0.387	54%	0.539	S	S	.	.	H	α-helix	trans	-77.3	-44.7	175	-62.7	-179.9	173.4	173.2	0	108.9	D140 A143 G145 W146 R151 L152	D140-K148 PolarHBondContact O-NZ 3.2Å; A143-K148 WeakPolarHBondContact O-CE 3.37Å; A143-K148 PolarHBondContact O-NZ 3.48Å; G145-K148 WeakPolarHBondContact O-CA 3.25Å; G145-K148 WeakPolarHBondContact O-CB 3.44Å; G145-K148 PolarHBondContact O-N 2.84Å; W146-K148 VanDerWaalsContact C-N 3.32Å; K148-R151 PolarHBondContact O-N 3.23Å; K148-L152 PolarHBondContact O-N 3.08Å
149	F	48.8	Very low	48.1	Very low	146 Å²	146	105.9 Å²	105.9	64%	0.64	53%	0.53	S	S	*	.	H	α-helix	trans	-63.9	-43	174	-152.1	-87.2	0	0	0	113	G145 R151 L152 T153	G145-F149 PolarHBondContact O-N 2.99Å; F149-R151 VanDerWaalsContact C-N 3.33Å; F149-R151 PolarHBondContact O-N 3.24Å; F149-L152 PolarHBondContact O-N 3.32Å; F149-T153 WeakPolarHBondContact O-CB 3.45Å; F149-T153 PolarHBondContact O-N 2.86Å; F149-T153 PolarHBondContact O-OG1 3.47Å
150	A	53.4	Low	48	Very low	43 Å²	43	106.6 Å²	106.6	36%	0.355	52%	0.524	S	S	.	.	H	α-helix	trans	-65.6	-32.6	177.2	0	0	0	0	0	113.2	W146 R154	W146-A150 VanDerWaalsContact O-CB 3.32Å; W146-A150 WeakPolarHBondContact O-CB 3.3Å; W146-A150 PolarHBondContact O-N 3.36Å; A150-R154 WeakPolarHBondContact O-CB 3.49Å; A150-R154 PolarHBondContact O-N 2.74Å; A150-R154 VanDerWaalsContact O-N 3.11Å
151	R	53.1	Low	48.4	Very low	131 Å²	131	107.4 Å²	107.4	49%	0.494	53%	0.529	S	S	.	.	H	α-helix	trans	-67.6	-45.9	170.5	-83	178.3	-87.8	-168.8	-7	111.4	T147 K148 F149 T153 R154 A155	T147-R151 WeakPolarHBondContact O-CB 3.28Å; T147-R151 WeakPolarHBondContact O-CG 3.44Å; T147-R151 PolarHBondContact O-N 3.36Å; T147-R151 PolarHBondContact O-NE 3.1Å; T147-R151 PolarHBondContact OG1-NH2 2.84Å; K148-R151 PolarHBondContact O-N 3.23Å; F149-R151 VanDerWaalsContact C-N 3.33Å; F149-R151 PolarHBondContact O-N 3.24Å; R151-T153 PolarHBondContact O-N 3.26Å; R151-R154 PolarHBondContact O-N 3.36Å; R151-A155 WeakPolarHBondContact O-CB 3.49Å; R151-A155 PolarHBondContact O-N 3.49Å
152	L	46.2	Very low	48.3	Very low	67 Å²	67	100.3 Å²	100.3	35%	0.351	49%	0.491	S	S	.	.	H	α-helix	trans	-59.9	-44	175.9	-165.7	76.8	0	0	0	112.2	K148 F149 R154 A155 L156	K148-L152 PolarHBondContact O-N 3.08Å; F149-L152 PolarHBondContact O-N 3.32Å; L152-R154 PolarHBondContact O-N 3.35Å; L152-A155 WeakPolarHBondContact O-CB 3.41Å; L152-A155 PolarHBondContact O-N 3.15Å; L152-L156 HydrophobicContact CG-CD1 4.31Å; L152-L156 WeakPolarHBondContact O-CG 3.16Å; L152-L156 PolarHBondContact O-N 2.91Å
153	T	45.8	Very low	47.9	Very low	64 Å²	64	99.1 Å²	99.1	39%	0.393	48%	0.479	S	S	.	.	H	α-helix	trans	-64.2	-42.4	178.4	-49	0	0	0	0	111.3	F149 R151 A155 L156 T157	F149-T153 WeakPolarHBondContact O-CB 3.45Å; F149-T153 PolarHBondContact O-N 2.86Å; F149-T153 PolarHBondContact O-OG1 3.47Å; R151-T153 PolarHBondContact O-N 3.26Å; T153-A155 VanDerWaalsContact C-N 3.34Å; T153-A155 PolarHBondContact O-N 3.03Å; T153-L156 PolarHBondContact O-N 2.81Å; T153-T157 PolarHBondContact O-N 3.48Å; T153-T157 PolarHBondContact O-OG1 2.72Å
154	R	51	Low	47.5	Very low	183 Å²	183	106.6 Å²	106.6	69%	0.691	51%	0.511	S	S	*	.	H	α-helix	trans	-69	-30.6	176.9	-173.1	172.8	-78.3	131.2	-7.4	112.8	A150 R151 L152 T157	A150-R154 WeakPolarHBondContact O-CB 3.49Å; A150-R154 PolarHBondContact O-N 2.74Å; A150-R154 VanDerWaalsContact O-N 3.11Å; R151-R154 PolarHBondContact O-N 3.36Å; L152-R154 PolarHBondContact O-N 3.35Å; R154-T157 WeakPolarHBondContact CA-OG1 3.37Å; R154-T157 PolarHBondContact O-OG1 2.65Å
155	A	45.5	Very low	46.9	Very low	21 Å²	21	102.7 Å²	102.7	17%	0.174	50%	0.502	C	S	.	.	H	α-helix	trans	-66.9	-45.4	170.7	0	0	0	0	0	111.9	L133 R151 L152 T153 T157 N158 N159	L133-A155 HydrophobicContact CB-CB 4.23Å; L133-A155 HydrophobicContact CD1-CB 3.76Å; L133-A155 HydrophobicContact CD2-CB 4.42Å; L133-A155 HydrophobicContact CG-CB 4.35Å; R151-A155 WeakPolarHBondContact O-CB 3.49Å; R151-A155 PolarHBondContact O-N 3.49Å; L152-A155 WeakPolarHBondContact O-CB 3.41Å; L152-A155 PolarHBondContact O-N 3.15Å; T153-A155 VanDerWaalsContact C-N 3.34Å; T153-A155 PolarHBondContact O-N 3.03Å; A155-T157 VanDerWaalsContact C-N 3.35Å; A155-T157 PolarHBondContact O-N 2.99Å; A155-N158 PolarHBondContact O-N 3.36Å; A155-N159 PolarHBondContact O-N 2.88Å
156	L	41	Very low	46.3	Very low	56 Å²	56	105.6 Å²	105.6	29%	0.293	51%	0.506	S	S	.	.	H	α-helix	trans	-60.5	-40.7	176.4	-75.1	163.1	0	0	0	111.9	F134 L152 T153 N158 N159 V163	F134-L156 HydrophobicContact CE1-CD2 4.4Å; F134-L156 HydrophobicContact CZ-CD2 4.41Å; L152-L156 HydrophobicContact CG-CD1 4.31Å; L152-L156 WeakPolarHBondContact O-CG 3.16Å; L152-L156 PolarHBondContact O-N 2.91Å; T153-L156 PolarHBondContact O-N 2.81Å; L156-N158 VanDerWaalsContact C-N 3.25Å; L156-N158 PolarHBondContact O-N 3.27Å; L156-N159 CarbonylContact O-C 3.49Å; L156-N159 PolarHBondContact O-N 3.04Å; L156-N159 VanDerWaalsContact O-N 3.16Å; L156-V163 HydrophobicContact CB-CG2 4.01Å; L156-V163 HydrophobicContact CD2-CG2 4.32Å; L156-V163 VanDerWaalsContact O-CG2 3.25Å; L156-V163 WeakPolarHBondContact O-CG2 3.25Å
157	T	46.9	Very low	45.2	Very low	90 Å²	90	99.1 Å²	99.1	55%	0.552	50%	0.501	S	S	*	.	H	α-helix	trans	-64.2	-24.5	177.9	48	0	0	0	0	114.6	T153 R154 A155	T153-T157 PolarHBondContact O-N 3.48Å; T153-T157 PolarHBondContact O-OG1 2.72Å; R154-T157 WeakPolarHBondContact CA-OG1 3.37Å; R154-T157 PolarHBondContact O-OG1 2.65Å; A155-T157 VanDerWaalsContact C-N 3.35Å; A155-T157 PolarHBondContact O-N 2.99Å
158	N	44.8	Very low	44.3	Very low	140 Å²	140	101.8 Å²	101.8	75%	0.749	52%	0.52	S	S	*	.	H	α-helix	trans	-78.2	-31.7	174.5	-81.8	7.4	0	0	0	112.5	A155 L156 R160	A155-N158 PolarHBondContact O-N 3.36Å; L156-N158 VanDerWaalsContact C-N 3.25Å; L156-N158 PolarHBondContact O-N 3.27Å; N158-R160 VanDerWaalsContact C-N 3.28Å; N158-R160 PolarHBondContact O-N 3.23Å
159	N	45.9	Very low	43.3	Very low	61 Å²	61	105.8 Å²	105.8	33%	0.326	54%	0.544	S	S	.	.	S	Bend	trans	-91.3	58.6	173.4	-85.2	-79.8	0	0	0	110.8	A155 L156 N161 L162	A155-N159 PolarHBondContact O-N 2.88Å; L156-N159 CarbonylContact O-C 3.49Å; L156-N159 PolarHBondContact O-N 3.04Å; L156-N159 VanDerWaalsContact O-N 3.16Å; N159-N161 PolarHBondContact O-N 3.16Å; N159-L162 HydrophobicContact CB-CB 4.28Å; N159-L162 HydrophobicContact CB-CD1 4.49Å; N159-L162 PolarHBondContact O-N 2.87Å
160	R	42.3	Very low	42.6	Very low	205 Å²	205	106.3 Å²	106.3	77%	0.774	55%	0.554	S	S	*	*	H	α-helix	trans	-51.1	-34.4	-170.6	-171	172.5	177.3	172.1	-1.9	114.5	N158	N158-R160 VanDerWaalsContact C-N 3.28Å; N158-R160 PolarHBondContact O-N 3.23Å
161	N	46.3	Very low	41.4	Very low	97 Å²	97	113.6 Å²	113.6	52%	0.519	58%	0.578	S	S	.	*	H	α-helix	trans	-72.7	-27.5	179.5	-64.6	-34.6	0	0	0	113.6	E25 N159	E25-N161 PolarHBondContact OE1-ND2 3.48Å; E25-N161 PolarHBondContact OE2-ND2 3.26Å; N159-N161 PolarHBondContact O-N 3.16Å
162	L	42	Very low	40.7	Very low	27 Å²	27	113.5 Å²	113.5	14%	0.141	59%	0.594	C	S	.	*	H	α-helix	trans	-79.7	-29.9	-178.3	-112.7	163.9	0	0	0	112.9	N159 Q164 L166 L181	N159-L162 HydrophobicContact CB-CB 4.28Å; N159-L162 HydrophobicContact CB-CD1 4.49Å; N159-L162 PolarHBondContact O-N 2.87Å; L162-Q164 VanDerWaalsContact C-N 3.29Å; L162-Q164 PolarHBondContact O-N 3.37Å; L162-L166 HydrophobicContact CD2-CD1 4.29Å; L162-L181 HydrophobicContact CD2-CD1 3.81Å
163	V	40.3	Very low	39.6	Very low	72 Å²	72	119.3 Å²	119.3	44%	0.436	62%	0.62	S	S	.	*	H	α-helix	trans	-66	-33	179.8	178.9	0	0	0	0	111.5	L156 Q165 L166	L156-V163 HydrophobicContact CB-CG2 4.01Å; L156-V163 HydrophobicContact CD2-CG2 4.32Å; L156-V163 VanDerWaalsContact O-CG2 3.25Å; L156-V163 WeakPolarHBondContact O-CG2 3.25Å; V163-Q165 PolarHBondContact O-N 3.02Å; V163-L166 PolarHBondContact O-N 3.5Å
164	Q	40.6	Very low	39.3	Very low	176 Å²	176	122.8 Å²	122.8	82%	0.822	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-8.6	-172.7	-160.1	163.6	-3.9	0	0	114.3	L162	L162-Q164 VanDerWaalsContact C-N 3.29Å; L162-Q164 PolarHBondContact O-N 3.37Å
165	Q	40.3	Very low	38	Very low	143 Å²	143	119 Å²	119	67%	0.668	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.7	-3.7	172.9	-70.3	-173.2	-39	0	0	114.1	V163	V163-Q165 PolarHBondContact O-N 3.02Å
166	L	39.8	Very low	37.3	Very low	110 Å²	110	126.9 Å²	126.9	58%	0.576	68%	0.675	S	S	*	*			trans	-121.4	58.1	-172.2	-70.8	171.3	0	0	0	112.3	L162 V163	L162-L166 HydrophobicContact CD2-CD1 4.29Å; V163-L166 PolarHBondContact O-N 3.5Å
167	A	29.9	Very low	36.8	Very low	95 Å²	95	132.8 Å²	132.8	79%	0.785	70%	0.698	S	S	*	*			trans	-68.6	130.7	166.8	0	0	0	0	0	110.5
168	P	37.4	Very low	36.3	Very low	122 Å²	122	134.2 Å²	134.2	79%	0.792	71%	0.709	S	S	*	*			trans	-81.1	131.9	-177.7	31.4	-33.7	0	0	0	111.8
169	L	28.5	Very low	36.1	Very low	172 Å²	172	131 Å²	131	90%	0.901	70%	0.697	S	S	*	*			trans	-127.1	128.9	164.5	-144.4	81.2	0	0	0	109.4	K171	L169-K171 PolarHBondContact O-N 3.32Å
170	N	34.9	Very low	35.9	Very low	158 Å²	158	138 Å²	138	85%	0.845	72%	0.719	S	S	*	*			trans	-69.7	121	-173.4	-73.5	-29	0	0	0	112.5
171	K	27.3	Very low	35.9	Very low	195 Å²	195	130.8 Å²	130.8	85%	0.848	70%	0.695	S	S	*	*			trans	-169.2	132.9	144.7	-108	166.6	-174.2	-173.2	0	110.8	L169	L169-K171 PolarHBondContact O-N 3.32Å
172	P	37.3	Very low	35.6	Very low	129 Å²	129	128.4 Å²	128.4	84%	0.838	68%	0.684	S	S	*	*			trans	-94.4	109.8	173.6	33.8	-28	0	0	0	110.6
173	E	24.8	Very low	35.5	Very low	190 Å²	190	134 Å²	134	89%	0.888	71%	0.71	S	S	*	*			trans	-151.5	146.1	169.1	-146.8	159.9	-149.2	0	0	111.3
174	V	38.6	Very low	35.6	Very low	137 Å²	137	132.9 Å²	132.9	83%	0.83	71%	0.708	S	S	*	*			trans	-93.2	124	-167.3	178	0	0	0	0	110.9
175	S	24.1	Very low	35.9	Very low	104 Å²	104	125.4 Å²	125.4	73%	0.727	67%	0.673	S	S	*	*			trans	-154.1	138.2	165.7	-160.7	0	0	0	0	112.5	K177	S175-K177 PolarHBondContact O-N 3.09Å
176	H	31.2	Very low	36.3	Very low	185 Å²	185	123.9 Å²	123.9	86%	0.856	67%	0.666	S	S	*	*			trans	-75.9	105.1	178.8	-75.5	-107.1	0	0	0	111.3
177	K	28.9	Very low	36.8	Very low	180 Å²	180	121.9 Å²	121.9	78%	0.783	66%	0.656	S	S	*	*			trans	-139.1	135.1	157.9	-67.5	-169.7	176.7	-176.3	0	110	S175	S175-K177 PolarHBondContact O-N 3.09Å
178	P	36.5	Very low	37.7	Very low	121 Å²	121	119.2 Å²	119.2	79%	0.786	64%	0.638	S	S	*	*			trans	-58.2	142.4	164.7	27.4	-33.1	0	0	0	108.7
179	S	41.8	Very low	37.9	Very low	71 Å²	71	117.9 Å²	117.9	50%	0.497	63%	0.631	S	S	.	*			trans	-77.6	156.6	-158.3	61.6	0	0	0	0	113.5	L181 V182	S179-L181 PolarHBondContact O-N 3.47Å; S179-L181 VanDerWaalsContact OG-CB 3.27Å; S179-L181 WeakPolarHBondContact OG-CB 3.4Å; S179-V182 PolarHBondContact O-N 2.88Å
180	R	41.3	Very low	38.7	Very low	209 Å²	209	116.8 Å²	116.8	79%	0.789	63%	0.626	S	S	*	*	H	α-helix	trans	-52.8	-13.3	167.5	-73.4	176.3	169.1	162.4	-4.5	114	V182 E183 A184	R180-V182 PolarHBondContact O-N 3.31Å; R180-E183 PolarHBondContact O-N 2.92Å; R180-A184 PolarHBondContact O-N 3.19Å; R180-A184 VanDerWaalsContact O-N 3.1Å
181	L	42.9	Very low	39.6	Very low	53 Å²	53	114.4 Å²	114.4	28%	0.277	61%	0.613	S	S	.	*	H	α-helix	trans	-59.5	-36.4	170	-156.5	82.2	0	0	0	111.4	L162 S179 A184 L185	L162-L181 HydrophobicContact CD2-CD1 3.81Å; S179-L181 PolarHBondContact O-N 3.47Å; S179-L181 VanDerWaalsContact OG-CB 3.27Å; S179-L181 WeakPolarHBondContact OG-CB 3.4Å; L181-A184 CarbonylContact O-C 3.56Å; L181-A184 PolarHBondContact O-N 3.15Å; L181-L185 HydrophobicContact CD2-CD1 3.74Å; L181-L185 HydrophobicContact CG-CD1 3.67Å; L181-L185 HydrophobicContact CG-CG 4.24Å; L181-L185 WeakPolarHBondContact O-CB 3.28Å; L181-L185 WeakPolarHBondContact O-CG 3.01Å; L181-L185 PolarHBondContact O-N 2.91Å
182	V	40.5	Very low	41.3	Very low	47 Å²	47	107.3 Å²	107.3	29%	0.285	58%	0.583	S	S	.	*	H	α-helix	trans	-65.5	-43.7	178.3	-178.9	0	0	0	0	110.9	S179 R180 A184 L185 Q186	S179-V182 PolarHBondContact O-N 2.88Å; R180-V182 PolarHBondContact O-N 3.31Å; V182-A184 VanDerWaalsContact C-N 3.3Å; V182-A184 PolarHBondContact O-N 2.99Å; V182-L185 PolarHBondContact O-N 3.4Å; V182-L185 VanDerWaalsContact O-N 3.15Å; V182-Q186 WeakPolarHBondContact O-CG 3.23Å; V182-Q186 PolarHBondContact O-N 3.5Å
183	E	39.2	Very low	42.7	Very low	146 Å²	146	102.4 Å²	102.4	68%	0.682	55%	0.552	S	S	*	*	H	α-helix	trans	-63.6	-33.8	177.1	-165.9	172.8	-159.1	0	0	111.9	R180	R180-E183 PolarHBondContact O-N 2.92Å
184	A	43.2	Very low	44.9	Very low	47 Å²	47	98.1 Å²	98.1	39%	0.388	53%	0.532	S	S	.	.	H	α-helix	trans	-85.8	-13.1	173.7	0	0	0	0	0	114.8	R180 L181 V182	R180-A184 PolarHBondContact O-N 3.19Å; R180-A184 VanDerWaalsContact O-N 3.1Å; L181-A184 CarbonylContact O-C 3.56Å; L181-A184 PolarHBondContact O-N 3.15Å; V182-A184 VanDerWaalsContact C-N 3.3Å; V182-A184 PolarHBondContact O-N 2.99Å
185	L	45.9	Very low	46.6	Very low	19 Å²	19	96.2 Å²	96.2	10%	0.099	51%	0.51	C	S	.	.	H	α-helix	trans	-104.2	-8.2	179.1	-73.8	175.6	0	0	0	113.6	Y108 L181 V182 L187	Y108-L185 HydrophobicContact CD1-CD1 3.96Å; Y108-L185 HydrophobicContact CE1-CB 4.17Å; Y108-L185 HydrophobicContact CE1-CD1 3.71Å; Y108-L185 HydrophobicContact CE2-CD1 4.41Å; Y108-L185 HydrophobicContact CG-CD1 4.4Å; L181-L185 HydrophobicContact CD2-CD1 3.74Å; L181-L185 HydrophobicContact CG-CD1 3.67Å; L181-L185 HydrophobicContact CG-CG 4.24Å; L181-L185 WeakPolarHBondContact O-CB 3.28Å; L181-L185 WeakPolarHBondContact O-CG 3.01Å; L181-L185 PolarHBondContact O-N 2.91Å; V182-L185 PolarHBondContact O-N 3.4Å; V182-L185 VanDerWaalsContact O-N 3.15Å; L185-L187 PolarHBondContact O-N 2.9Å
186	Q	48.5	Very low	48.9	Very low	112 Å²	112	94.2 Å²	94.2	52%	0.523	49%	0.488	S	S	.	.			trans	-64.5	97.9	168.8	-84.7	173.7	-13.1	0	0	109.9	F92 V182 G188	F92-Q186 HydrophobicContact CE2-CG 4.41Å; F92-Q186 HydrophobicContact CZ-CG 3.84Å; V182-Q186 WeakPolarHBondContact O-CG 3.23Å; V182-Q186 PolarHBondContact O-N 3.5Å; Q186-G188 VanDerWaalsContact C-N 3.33Å; Q186-G188 PolarHBondContact O-N 2.81Å
187	L	50.4	Low	50.6	Low	68 Å²	68	91.6 Å²	91.6	36%	0.356	48%	0.477	S	S	.	.			trans	-59.5	102.5	155.7	-150.5	84.2	0	0	0	106.3	L185 S189	L185-L187 PolarHBondContact O-N 2.9Å; L187-S189 PolarHBondContact O-N 2.93Å
188	G	48	Very low	52.4	Low	39 Å²	39	85.9 Å²	85.9	40%	0.402	45%	0.453	S	S	.	.			trans	-50.9	127.4	-159.4	0	0	0	0	0	114.3	Q186 D190 I191	Q186-G188 VanDerWaalsContact C-N 3.33Å; Q186-G188 PolarHBondContact O-N 2.81Å; G188-D190 PolarHBondContact O-N 2.9Å; G188-D190 VanDerWaalsContact O-N 3.09Å; G188-I191 PolarHBondContact O-N 2.93Å; G188-I191 VanDerWaalsContact O-N 3.17Å
189	S	43	Very low	53.7	Low	94 Å²	94	83.3 Å²	83.3	66%	0.657	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-46.7	-40.3	179.2	40.8	0	0	0	0	112.5	L187 I191	L187-S189 PolarHBondContact O-N 2.93Å; S189-I191 PolarHBondContact O-N 3.06Å; S189-I191 VanDerWaalsContact O-N 3.09Å
190	D	43.8	Very low	54.9	Low	149 Å²	149	83.2 Å²	83.2	80%	0.797	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-73.8	-3.8	-168.3	-50.1	-6.3	0	0	0	113	G188	G188-D190 PolarHBondContact O-N 2.9Å; G188-D190 VanDerWaalsContact O-N 3.09Å
191	I	54.6	Low	56.1	Low	108 Å²	108	80.6 Å²	80.6	55%	0.554	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-136.5	18.6	-175.1	-19.2	179.3	0	0	0	114.7	R22 G188 S189	R22-I191 PolarHBondContact NH1-O 3.31Å; G188-I191 PolarHBondContact O-N 2.93Å; G188-I191 VanDerWaalsContact O-N 3.17Å; S189-I191 PolarHBondContact O-N 3.06Å; S189-I191 VanDerWaalsContact O-N 3.09Å
192	L	63.8	Low	57.7	Low	45 Å²	45	80.1 Å²	80.1	24%	0.236	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-61.6	126.7	167.6	-90	87.4	0	0	0	110	A112 I114 L125 Q194	A112-L192 HydrophobicContact CB-CD2 3.58Å; I114-L192 HydrophobicContact CD1-CD2 4.25Å; I114-L192 HydrophobicContact CG1-CD2 3.89Å; L125-L192 HydrophobicContact CD2-CD2 4.49Å; L192-Q194 PolarHBondContact O-N 3.21Å
193	P	66.4	Low	59.6	Low	27 Å²	27	80.7 Å²	80.7	18%	0.175	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-68.3	128.9	179.4	28.3	-32.3	0	0	0	109.5	F15 I19	F15-P193 HydrophobicContact CD2-CB 4.13Å; F15-P193 HydrophobicContact CD2-CG 3.97Å; F15-P193 HydrophobicContact CE2-CG 4.15Å; F15-P193 WeakPolarHBondContact CE2-O 3.32Å; I19-P193 HydrophobicContact CD1-CG 4.39Å; I19-P193 HydrophobicContact CG1-CG 3.84Å
194	Q	70.8	Confident	61.2	Low	100 Å²	100	78.9 Å²	78.9	47%	0.467	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-65.3	147.5	169.5	-68.6	178.1	-7.2	0	0	109.8	R115 L192 K196	R115-Q194 WeakPolarHBondContact O-CA 3.5Å; L192-Q194 PolarHBondContact O-N 3.21Å; Q194-K196 VanDerWaalsContact C-N 3.32Å; Q194-K196 HydrophobicContact CB-CB 4.34Å; Q194-K196 PolarHBondContact O-N 3.44Å
195	Y	73.7	Confident	63.2	Low	97 Å²	97	84.3 Å²	84.3	38%	0.38	46%	0.456	S	S	.	.	B	Isolated β-bridge	trans	-78.7	85.2	172.7	-173.2	-94.3	0	0	0	108.7	N13 F15 R115 N116 V122 L123	N13-Y195 WeakPolarHBondContact ND2-CE2 3.44Å; F15-Y195 HydrophobicContact CB-CD2 4.48Å; F15-Y195 AromaticContact CD1-CD2 3.79Å; F15-Y195 HydrophobicContact CD1-CD2 3.79Å; F15-Y195 HydrophobicContact CD1-CE2 4.26Å; F15-Y195 HydrophobicContact CD2-CD2 4.33Å; F15-Y195 HydrophobicContact CE1-CD2 4.01Å; F15-Y195 AromaticContact CG-CD2 3.96Å; F15-Y195 HydrophobicContact CG-CD2 3.96Å; F15-Y195 HydrophobicContact CZ-CD2 4.36Å; R115-Y195 PolarHBondContact O-N 2.94Å; N116-Y195 PolarHBondContact OD1-O 3.39Å; V122-Y195 HydrophobicContact CG2-CD1 4.38Å; V122-Y195 HydrophobicContact CG2-CG 4.33Å; L123-Y195 HydrophobicContact CD1-CD2 3.57Å; L123-Y195 HydrophobicContact CD1-CE2 3.99Å; L123-Y195 HydrophobicContact CD1-CG 4.12Å
196	K	72.6	Confident	65.3	Low	61 Å²	61	84.4 Å²	84.4	27%	0.265	46%	0.456	S	S	.	.			trans	-139.5	143.9	-169	177.6	168.7	176.6	92.3	0	111.3	E117 Q194 E198	E117-K196 HydrophobicContact CG-CB 4.02Å; E117-K196 HydrophobicContact CG-CD 3.98Å; E117-K196 HydrophobicContact CG-CG 3.66Å; E117-K196 IonicContact OE2-NZ 2.72Å; E117-K196 PolarHBondContact OE2-NZ 3.32Å; Q194-K196 VanDerWaalsContact C-N 3.32Å; Q194-K196 HydrophobicContact CB-CB 4.34Å; Q194-K196 PolarHBondContact O-N 3.44Å; K196-E198 VanDerWaalsContact C-N 3.32Å; K196-E198 HydrophobicContact CB-CG 3.97Å; K196-E198 HydrophobicContact CD-CG 3.63Å; K196-E198 HydrophobicContact CG-CG 3.48Å; K196-E198 VanDerWaalsContact CG-CG 3.48Å; K196-E198 PolarHBondContact O-N 2.95Å; K196-E198 VanDerWaalsContact O-N 3.09Å
197	Q	67.6	Low	67.3	Low	131 Å²	131	80.9 Å²	80.9	61%	0.612	44%	0.44	S	S	*	.			trans	-83.2	77.5	171.1	-66.1	-170.3	19.5	0	0	110.2	N13	N13-Q197 HydrophobicContact CB-CG 4.42Å
198	E	65.2	Low	69.1	Low	60 Å²	60	79.9 Å²	79.9	28%	0.28	44%	0.435	S	S	.	.			trans	-80.6	147.5	178.2	-58.8	-164.7	123.5	0	0	111.9	P11 Q12 K196 K201	P11-E198 WeakPolarHBondContact CA-O 3.14Å; Q12-E198 PolarHBondContact N-O 2.85Å; Q12-E198 VanDerWaalsContact N-O 3.09Å; K196-E198 VanDerWaalsContact C-N 3.32Å; K196-E198 HydrophobicContact CB-CG 3.97Å; K196-E198 HydrophobicContact CD-CG 3.63Å; K196-E198 HydrophobicContact CG-CG 3.48Å; K196-E198 VanDerWaalsContact CG-CG 3.48Å; K196-E198 PolarHBondContact O-N 2.95Å; K196-E198 VanDerWaalsContact O-N 3.09Å; E198-K201 VanDerWaalsContact CD-CE 3.45Å; E198-K201 WeakPolarHBondContact OE1-CE 3.3Å; E198-K201 IonicContact OE1-NZ 2.8Å; E198-K201 PolarHBondContact OE1-NZ 3.35Å; E198-K201 WeakPolarHBondContact OE2-CE 3.4Å; E198-K201 IonicContact OE2-NZ 3.76Å; E198-K201 PolarHBondContact OE2-NZ 3.09Å
199	A	64.9	Low	71	Confident	66 Å²	66	79.9 Å²	79.9	55%	0.545	43%	0.425	S	S	.	.			trans	-62.8	142	155.5	0	0	0	0	0	108.4	K201	A199-K201 PolarHBondContact O-N 3.02Å
200	P	66.1	Low	72.9	Confident	70 Å²	70	78.6 Å²	78.6	46%	0.455	41%	0.406	S	S	.	.			trans	-58.5	114.2	-174.7	21.6	-32.7	0	0	0	111.1	V9 T202	V9-P200 HydrophobicContact CG1-CG 3.81Å; P200-T202 PolarHBondContact O-N 3.41Å
201	K	67	Low	74.9	Confident	154 Å²	154	73.5 Å²	73.5	67%	0.67	38%	0.381	S	S	*	.			trans	-65.3	99.1	-177.3	-78.7	174.4	170.1	156.3	0	111	E198 A199	E198-K201 VanDerWaalsContact CD-CE 3.45Å; E198-K201 WeakPolarHBondContact OE1-CE 3.3Å; E198-K201 IonicContact OE1-NZ 2.8Å; E198-K201 PolarHBondContact OE1-NZ 3.35Å; E198-K201 WeakPolarHBondContact OE2-CE 3.4Å; E198-K201 IonicContact OE2-NZ 3.76Å; E198-K201 PolarHBondContact OE2-NZ 3.09Å; A199-K201 PolarHBondContact O-N 3.02Å
202	T	76.4	Confident	76.5	Confident	42 Å²	42	73.8 Å²	73.8	26%	0.258	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-62	143.7	161.8	47.3	0	0	0	0	109.6	P200 I206 L208 T269	P200-T202 PolarHBondContact O-N 3.41Å; T202-I206 HydrophobicContact CG2-CG2 4.34Å; T202-L208 HydrophobicContact CG2-CD2 3.75Å; T202-L208 HydrophobicContact CG2-CG 4.27Å; T202-T269 HydrophobicContact CG2-CG2 4.2Å
203	P	79.8	Confident	77.8	Confident	59 Å²	59	76.9 Å²	76.9	38%	0.383	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-64.5	157.5	175	30.5	-36.2	0	0	0	110.5	I206	P203-I206 HydrophobicContact CG-CB 4.37Å; P203-I206 HydrophobicContact CG-CD1 3.53Å; P203-I206 HydrophobicContact CG-CG1 3.99Å; P203-I206 PolarHBondContact O-N 3.09Å
204	P	74.3	Confident	78.8	Confident	108 Å²	108	76.1 Å²	76.1	70%	0.701	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	148	173.8	25.2	-34.4	0	0	0	110.7	I206	P204-I206 VanDerWaalsContact C-N 3.33Å; P204-I206 PolarHBondContact O-N 2.86Å
205	H	84.6	Confident	79.6	Confident	162 Å²	162	73.9 Å²	73.9	75%	0.75	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.9	15.2	-174.1	-38.2	-76.7	0	0	0	116.3	H267	H205-H267 PolarHBondContact O-CD2 3.32Å; H205-H267 VanDerWaalsContact O-CD2 3.27Å
206	I	90.1	Very high	80.3	Confident	20 Å²	20	73.4 Å²	73.4	10%	0.103	39%	0.394	C	S	.	.			trans	-109.9	135.3	165.7	-67.5	-171.8	0	0	0	111.4	T202 P203 P204 H267 T269 S279 A281 I284	T202-I206 HydrophobicContact CG2-CG2 4.34Å; P203-I206 HydrophobicContact CG-CB 4.37Å; P203-I206 HydrophobicContact CG-CD1 3.53Å; P203-I206 HydrophobicContact CG-CG1 3.99Å; P203-I206 PolarHBondContact O-N 3.09Å; P204-I206 VanDerWaalsContact C-N 3.33Å; P204-I206 PolarHBondContact O-N 2.86Å; I206-H267 CarbonylContact C-O 3.52Å; I206-H267 WeakPolarHBondContact CA-O 3.32Å; I206-T269 HydrophobicContact CG2-CG2 3.64Å; I206-S279 WeakPolarHBondContact CD1-O 3.39Å; I206-A281 HydrophobicContact CD1-CB 4.08Å; I206-I284 HydrophobicContact CD1-CD1 3.96Å; I206-I284 HydrophobicContact CG2-CD1 4.39Å
207	I	90.8	Very high	81.2	Confident	39 Å²	39	72.6 Å²	72.6	20%	0.2	39%	0.39	C	S	.	.	B	Isolated β-bridge	trans	-105.4	129.7	-177.4	-57.5	174.2	0	0	0	109.8	F213 K214 L264 H267 T268 T269	I207-F213 HydrophobicContact CD1-CE1 4.31Å; I207-K214 HydrophobicContact CG2-CB 4.15Å; I207-L264 HydrophobicContact CD1-CD2 3.59Å; I207-H267 PolarHBondContact N-O 2.87Å; I207-T268 HydrophobicContact CB-CG2 4.03Å; I207-T268 HydrophobicContact CG2-CG2 4.31Å; I207-T268 VanDerWaalsContact O-CA 3.3Å; I207-T268 WeakPolarHBondContact O-CA 3.41Å; I207-T269 PolarHBondContact O-N 2.96Å
208	L	88.4	Confident	82.2	Confident	46 Å²	46	67.5 Å²	67.5	24%	0.241	37%	0.366	C	S	.	.			trans	-70.8	133	175.5	-69.4	161.3	0	0	0	110.9	T202 Y210 C211 T269	T202-L208 HydrophobicContact CG2-CD2 3.75Å; T202-L208 HydrophobicContact CG2-CG 4.27Å; L208-Y210 VanDerWaalsContact C-N 3.27Å; L208-Y210 HydrophobicContact CB-CE1 4.34Å; L208-Y210 HydrophobicContact CB-CE2 4.43Å; L208-Y210 HydrophobicContact CD1-CE2 4.29Å; L208-Y210 HydrophobicContact CD2-CE1 4.02Å; L208-Y210 PolarHBondContact O-N 2.84Å; L208-C211 HydrophobicContact CB-CB 4.22Å; L208-C211 WeakPolarHBondContact O-CB 3.14Å; L208-C211 PolarHBondContact O-N 3.42Å; L208-T269 HydrophobicContact CD2-CG2 4.15Å
209	H	86	Confident	83.3	Confident	40 Å²	40	70.5 Å²	70.5	19%	0.185	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-31.4	-176.9	63	-85.3	0	0	0	113.7	K5 R6 C211 T269 V271	K5-H209 PolarHBondContact O-NE2 2.9Å; R6-H209 PolarHBondContact O-CE1 2.9Å; R6-H209 PolarHBondContact O-NE2 3.35Å; H209-C211 VanDerWaalsContact C-N 3.35Å; H209-T269 PolarHBondContact N-OG1 3.11Å; H209-T269 PolarHBondContact ND1-OG1 2.88Å; H209-V271 VanDerWaalsContact CE1-CG2 3.5Å; H209-V271 WeakPolarHBondContact CE1-CG2 3.33Å; H209-V271 WeakPolarHBondContact NE2-CG2 3.24Å
210	Y	83.8	Confident	84.5	Confident	67 Å²	67	70.4 Å²	70.4	26%	0.263	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	7.1	175.9	62.5	-100.7	0	0	0	113.8	R6 V9 L208	R6-Y210 HydrophobicContact CB-CD1 4.19Å; R6-Y210 HydrophobicContact CB-CG 4.46Å; R6-Y210 HydrophobicContact CG-CD1 4.44Å; R6-Y210 HydrophobicContact CG-CG 4.21Å; V9-Y210 HydrophobicContact CB-CE1 4.48Å; V9-Y210 HydrophobicContact CG2-CE1 4.17Å; L208-Y210 VanDerWaalsContact C-N 3.27Å; L208-Y210 HydrophobicContact CB-CE1 4.34Å; L208-Y210 HydrophobicContact CB-CE2 4.43Å; L208-Y210 HydrophobicContact CD1-CE2 4.29Å; L208-Y210 HydrophobicContact CD2-CE1 4.02Å; L208-Y210 PolarHBondContact O-N 2.84Å
211	C	86.4	Confident	85.7	Confident	41 Å²	41	67.2 Å²	67.2	28%	0.277	35%	0.347	S	S	.	.			trans	-64.8	137.9	177.2	-176.6	0	0	0	0	110.7	L208 H209 F213 K214 T215	L208-C211 HydrophobicContact CB-CB 4.22Å; L208-C211 WeakPolarHBondContact O-CB 3.14Å; L208-C211 PolarHBondContact O-N 3.42Å; H209-C211 VanDerWaalsContact C-N 3.35Å; C211-F213 VanDerWaalsContact C-N 3.25Å; C211-F213 PolarHBondContact O-N 3.5Å; C211-K214 HydrophobicContact CB-CB 4.21Å; C211-K214 WeakPolarHBondContact O-CA 3.41Å; C211-K214 WeakPolarHBondContact O-CB 3.03Å; C211-K214 PolarHBondContact O-N 3.31Å; C211-T215 PolarHBondContact O-N 3.47Å; C211-T215 PolarHBondContact O-OG1 3.42Å
212	T	87.1	Confident	86.7	Confident	115 Å²	115	61.5 Å²	61.5	71%	0.706	32%	0.323	S	S	*	.	H	α-helix	trans	-54.5	-39.5	177.9	48	0	0	0	0	112.9	T215 T216	T212-T215 PolarHBondContact O-N 2.82Å; T212-T216 WeakPolarHBondContact O-CB 3.12Å; T212-T216 PolarHBondContact O-N 2.88Å; T212-T216 PolarHBondContact O-OG1 2.69Å
213	F	91.3	Very high	87.3	Confident	109 Å²	109	64.9 Å²	64.9	48%	0.478	34%	0.339	S	S	.	.	H	α-helix	trans	-58.5	-47.8	172	170.4	-102.3	0	0	0	111.7	I207 C211 T216 W217	I207-F213 HydrophobicContact CD1-CE1 4.31Å; C211-F213 VanDerWaalsContact C-N 3.25Å; C211-F213 PolarHBondContact O-N 3.5Å; F213-T216 PolarHBondContact O-N 3Å; F213-W217 WeakPolarHBondContact O-CB 3.49Å; F213-W217 PolarHBondContact O-N 2.75Å
214	K	88.6	Confident	87.8	Confident	12 Å²	12	63.3 Å²	63.3	5%	0.052	33%	0.327	C	S	.	.	H	α-helix	trans	-66.5	-39.7	-179.6	-175.9	56.4	170.9	72.4	0	111.9	I207 C211 D218 T268	I207-K214 HydrophobicContact CG2-CB 4.15Å; C211-K214 HydrophobicContact CB-CB 4.21Å; C211-K214 WeakPolarHBondContact O-CA 3.41Å; C211-K214 WeakPolarHBondContact O-CB 3.03Å; C211-K214 PolarHBondContact O-N 3.31Å; K214-D218 IonicContact NZ-OD1 3.49Å; K214-D218 PolarHBondContact NZ-OD1 3.29Å; K214-D218 IonicContact NZ-OD2 3.53Å; K214-D218 PolarHBondContact NZ-OD2 3.48Å; K214-D218 VanDerWaalsContact O-CB 3.26Å; K214-D218 WeakPolarHBondContact O-CB 3.46Å; K214-D218 PolarHBondContact O-N 3.28Å; K214-T268 HydrophobicContact CD-CG2 3.86Å; K214-T268 HydrophobicContact CG-CG2 4.46Å
215	T	86.5	Confident	88.6	Confident	52 Å²	52	58.4 Å²	58.4	32%	0.319	30%	0.295	S	S	.	.	H	α-helix	trans	-63.7	-41.4	173.7	-50.4	0	0	0	0	111.6	C211 T212 D218 W219	C211-T215 PolarHBondContact O-N 3.47Å; C211-T215 PolarHBondContact O-OG1 3.42Å; T212-T215 PolarHBondContact O-N 2.82Å; T215-D218 WeakPolarHBondContact O-CB 3.47Å; T215-D218 PolarHBondContact O-N 2.89Å; T215-W219 VanDerWaalsContact O-CD1 3.22Å; T215-W219 PolarHBondContact O-N 2.78Å
216	T	89.4	Confident	88.9	Confident	88 Å²	88	54.7 Å²	54.7	54%	0.54	28%	0.277	S	S	.	.	H	α-helix	trans	-67.2	-44.9	177.7	-53.9	0	0	0	0	111.4	T212 F213 D218 W219 V220	T212-T216 WeakPolarHBondContact O-CB 3.12Å; T212-T216 PolarHBondContact O-N 2.88Å; T212-T216 PolarHBondContact O-OG1 2.69Å; F213-T216 PolarHBondContact O-N 3Å; T216-D218 VanDerWaalsContact C-N 3.27Å; T216-D218 PolarHBondContact O-N 3.18Å; T216-W219 PolarHBondContact O-N 3.42Å; T216-V220 PolarHBondContact O-N 3.2Å; T216-V220 VanDerWaalsContact O-N 3.1Å
217	W	91.6	Very high	89	Confident	43 Å²	43	56.2 Å²	56.2	16%	0.163	28%	0.282	C	S	.	.	H	α-helix	trans	-56.9	-42.1	172.5	-178.6	-92.4	0	0	0	111.8	F213 W219 V220 I221 I257 I260 D261 L264	F213-W217 WeakPolarHBondContact O-CB 3.49Å; F213-W217 PolarHBondContact O-N 2.75Å; W217-W219 VanDerWaalsContact C-N 3.29Å; W217-W219 PolarHBondContact O-N 3.03Å; W217-V220 WeakPolarHBondContact O-CB 3.44Å; W217-V220 PolarHBondContact O-N 2.96Å; W217-V220 VanDerWaalsContact O-N 3.11Å; W217-I221 HydrophobicContact CG-CG1 4.49Å; W217-I221 HydrophobicContact CZ2-CD1 4.03Å; W217-I221 HydrophobicContact CZ2-CG1 4.47Å; W217-I221 WeakPolarHBondContact O-CG1 3.33Å; W217-I221 PolarHBondContact O-N 3.36Å; W217-I257 HydrophobicContact CH2-CG2 3.84Å; W217-I257 HydrophobicContact CZ2-CG2 4.04Å; W217-I260 HydrophobicContact CH2-CB 4.15Å; W217-I260 HydrophobicContact CH2-CG2 3.6Å; W217-I260 HydrophobicContact CZ2-CB 4.25Å; W217-I260 HydrophobicContact CZ2-CG2 3.81Å; W217-D261 HydrophobicContact CZ2-CB 4.25Å; W217-D261 PolarHBondContact NE1-OD1 2.82Å; W217-L264 HydrophobicContact CD2-CD1 3.81Å; W217-L264 VanDerWaalsContact CE2-CD1 3.41Å; W217-L264 HydrophobicContact CE3-CD1 4.35Å; W217-L264 HydrophobicContact CG-CD1 4.28Å; W217-L264 HydrophobicContact CH2-CD1 4.2Å; W217-L264 HydrophobicContact CZ2-CD1 3.65Å
218	D	87.6	Confident	88.9	Confident	24 Å²	24	54.6 Å²	54.6	13%	0.128	27%	0.274	C	S	.	.	H	α-helix	trans	-64.4	-29	178.4	-79.7	-23.3	0	0	0	114	K214 T215 T216 L222 K337	K214-D218 IonicContact NZ-OD1 3.49Å; K214-D218 PolarHBondContact NZ-OD1 3.29Å; K214-D218 IonicContact NZ-OD2 3.53Å; K214-D218 PolarHBondContact NZ-OD2 3.48Å; K214-D218 VanDerWaalsContact O-CB 3.26Å; K214-D218 WeakPolarHBondContact O-CB 3.46Å; K214-D218 PolarHBondContact O-N 3.28Å; T215-D218 WeakPolarHBondContact O-CB 3.47Å; T215-D218 PolarHBondContact O-N 2.89Å; T216-D218 VanDerWaalsContact C-N 3.27Å; T216-D218 PolarHBondContact O-N 3.18Å; D218-L222 PolarHBondContact O-N 2.61Å; D218-L222 VanDerWaalsContact O-N 3.14Å; D218-K337 HydrophobicContact CB-CD 4.16Å; D218-K337 WeakPolarHBondContact OD1-CE 3.48Å; D218-K337 IonicContact OD1-NZ 3.45Å; D218-K337 PolarHBondContact OD1-NZ 2.85Å; D218-K337 IonicContact OD2-NZ 3.67Å; D218-K337 PolarHBondContact OD2-NZ 3.05Å
219	W	87.7	Confident	89.1	Confident	124 Å²	124	52.5 Å²	52.5	47%	0.47	26%	0.263	S	S	.	.	H	α-helix	trans	-73.4	-41.1	169.1	-80.6	106.6	0	0	0	112.5	T215 T216 W217 I221 L222 I223 Y341	T215-W219 VanDerWaalsContact O-CD1 3.22Å; T215-W219 PolarHBondContact O-N 2.78Å; T216-W219 PolarHBondContact O-N 3.42Å; W217-W219 VanDerWaalsContact C-N 3.29Å; W217-W219 PolarHBondContact O-N 3.03Å; W219-I221 VanDerWaalsContact C-N 3.34Å; W219-I221 PolarHBondContact O-N 2.95Å; W219-L222 HydrophobicContact CE3-CD2 3.96Å; W219-L222 HydrophobicContact CZ3-CD2 3.9Å; W219-L222 PolarHBondContact O-N 3.05Å; W219-I223 WeakPolarHBondContact O-CG1 3.24Å; W219-I223 PolarHBondContact O-N 3.49Å; W219-Y341 HydrophobicContact CH2-CD1 4.33Å; W219-Y341 AromaticContact CH2-CE1 3.64Å; W219-Y341 HydrophobicContact CH2-CE1 3.64Å; W219-Y341 HydrophobicContact CZ2-CD1 4.45Å; W219-Y341 AromaticContact CZ2-CE1 3.61Å; W219-Y341 HydrophobicContact CZ2-CE1 3.61Å; W219-Y341 HydrophobicContact CZ3-CE1 4.29Å
220	V	91.6	Very high	89.4	Confident	64 Å²	64	53.1 Å²	53.1	39%	0.388	27%	0.267	S	S	.	.	H	α-helix	trans	-60	-46.1	174.7	174.2	0	0	0	0	110.5	T216 W217 L222 I223 L224	T216-V220 PolarHBondContact O-N 3.2Å; T216-V220 VanDerWaalsContact O-N 3.1Å; W217-V220 WeakPolarHBondContact O-CB 3.44Å; W217-V220 PolarHBondContact O-N 2.96Å; W217-V220 VanDerWaalsContact O-N 3.11Å; V220-L222 VanDerWaalsContact C-N 3.34Å; V220-L222 PolarHBondContact O-N 3.05Å; V220-I223 PolarHBondContact O-N 3.15Å; V220-L224 HydrophobicContact CG1-CD1 4.02Å; V220-L224 HydrophobicContact CG1-CG 4.46Å; V220-L224 WeakPolarHBondContact O-CG 3.08Å; V220-L224 PolarHBondContact O-N 3.28Å
221	I	90.8	Very high	89.6	Confident	2 Å²	2	52 Å²	52	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-61.8	-40.1	175.7	-65.8	-62.6	0	0	0	111.4	W217 W219 I223 L224 T225 I257 F258 D261	W217-I221 HydrophobicContact CG-CG1 4.49Å; W217-I221 HydrophobicContact CZ2-CD1 4.03Å; W217-I221 HydrophobicContact CZ2-CG1 4.47Å; W217-I221 WeakPolarHBondContact O-CG1 3.33Å; W217-I221 PolarHBondContact O-N 3.36Å; W219-I221 VanDerWaalsContact C-N 3.34Å; W219-I221 PolarHBondContact O-N 2.95Å; I221-I223 PolarHBondContact O-N 3.5Å; I221-L224 PolarHBondContact O-N 2.82Å; I221-T225 HydrophobicContact CG2-CG2 4.39Å; I221-T225 WeakPolarHBondContact O-CG2 3.46Å; I221-T225 PolarHBondContact O-N 2.98Å; I221-T225 PolarHBondContact O-OG1 3.34Å; I221-I257 HydrophobicContact CD1-CG2 3.92Å; I221-F258 HydrophobicContact CD1-CD1 4.43Å; I221-F258 HydrophobicContact CD1-CE1 4.42Å; I221-F258 HydrophobicContact CG2-CE1 4.02Å; I221-D261 HydrophobicContact CD1-CB 3.8Å; I221-D261 HydrophobicContact CG1-CB 4.34Å
222	L	87.5	Confident	89.7	Confident	34 Å²	34	50.4 Å²	50.4	18%	0.178	25%	0.254	C	S	.	.	H	α-helix	trans	-60.3	-45.7	175.2	178.8	61.1	0	0	0	112	D218 W219 V220 L224 T225 F226 V334 Y341	D218-L222 PolarHBondContact O-N 2.61Å; D218-L222 VanDerWaalsContact O-N 3.14Å; W219-L222 HydrophobicContact CE3-CD2 3.96Å; W219-L222 HydrophobicContact CZ3-CD2 3.9Å; W219-L222 PolarHBondContact O-N 3.05Å; V220-L222 VanDerWaalsContact C-N 3.34Å; V220-L222 PolarHBondContact O-N 3.05Å; L222-L224 VanDerWaalsContact C-N 3.35Å; L222-L224 PolarHBondContact O-N 2.76Å; L222-T225 PolarHBondContact O-N 3.09Å; L222-T225 PolarHBondContact O-OG1 3.16Å; L222-F226 PolarHBondContact O-N 2.87Å; L222-F226 VanDerWaalsContact O-N 3.07Å; L222-V334 HydrophobicContact CD1-CB 4.43Å; L222-V334 HydrophobicContact CD1-CG1 3.98Å; L222-V334 HydrophobicContact CD1-CG2 3.74Å; L222-Y341 HydrophobicContact CD2-CE2 3.92Å
223	I	89.8	Confident	89.9	Confident	114 Å²	114	45.7 Å²	45.7	59%	0.585	23%	0.225	S	C	*	.	H	α-helix	trans	-62.1	-43	177.1	-66.1	164.6	0	0	0	110.7	W219 V220 I221 F226 Y227	W219-I223 WeakPolarHBondContact O-CG1 3.24Å; W219-I223 PolarHBondContact O-N 3.49Å; V220-I223 PolarHBondContact O-N 3.15Å; I221-I223 PolarHBondContact O-N 3.5Å; I223-F226 PolarHBondContact O-N 3.07Å; I223-Y227 PolarHBondContact O-N 2.9Å
224	L	91.2	Very high	89.8	Confident	26 Å²	26	42.6 Å²	42.6	14%	0.136	21%	0.211	C	C	.	.	H	α-helix	trans	-67.5	-35.7	177.3	-68.3	176.3	0	0	0	113	V220 I221 L222 F226 Y227 T228 V254 I257 F258	V220-L224 HydrophobicContact CG1-CD1 4.02Å; V220-L224 HydrophobicContact CG1-CG 4.46Å; V220-L224 WeakPolarHBondContact O-CG 3.08Å; V220-L224 PolarHBondContact O-N 3.28Å; I221-L224 PolarHBondContact O-N 2.82Å; L222-L224 VanDerWaalsContact C-N 3.35Å; L222-L224 PolarHBondContact O-N 2.76Å; L224-F226 VanDerWaalsContact C-N 3.33Å; L224-Y227 PolarHBondContact O-N 2.83Å; L224-T228 WeakPolarHBondContact O-CG2 3.49Å; L224-T228 PolarHBondContact O-N 3.3Å; L224-T228 PolarHBondContact O-OG1 2.66Å; L224-V254 HydrophobicContact CD2-CG1 4.37Å; L224-V254 HydrophobicContact CD2-CG2 3.96Å; L224-I257 HydrophobicContact CD1-CB 4.04Å; L224-I257 HydrophobicContact CD1-CD1 3.97Å; L224-I257 HydrophobicContact CD1-CG2 3.47Å; L224-I257 VanDerWaalsContact CD1-CG2 3.47Å; L224-F258 HydrophobicContact CB-CE2 4Å; L224-F258 HydrophobicContact CB-CZ 3.9Å
225	T	90.3	Very high	89.7	Confident	4 Å²	4	43.8 Å²	43.8	3%	0.025	22%	0.218	C	C	.	.	H	α-helix	trans	-63.9	-40.8	172.8	57.5	0	0	0	0	111.4	I221 L222 T228 A229 F258 R330 R333	I221-T225 HydrophobicContact CG2-CG2 4.39Å; I221-T225 WeakPolarHBondContact O-CG2 3.46Å; I221-T225 PolarHBondContact O-N 2.98Å; I221-T225 PolarHBondContact O-OG1 3.34Å; L222-T225 PolarHBondContact O-N 3.09Å; L222-T225 PolarHBondContact O-OG1 3.16Å; T225-T228 WeakPolarHBondContact CA-OG1 3.33Å; T225-T228 PolarHBondContact O-N 3.44Å; T225-T228 PolarHBondContact O-OG1 3.1Å; T225-A229 WeakPolarHBondContact O-CB 3.11Å; T225-A229 PolarHBondContact O-N 3.15Å; T225-F258 HydrophobicContact CG2-CE1 3.7Å; T225-F258 HydrophobicContact CG2-CZ 3.67Å; T225-R330 HydrophobicContact CG2-CB 4.04Å; T225-R333 HydrophobicContact CG2-CB 4.47Å
226	F	90.4	Very high	89.6	Confident	85 Å²	85	43.6 Å²	43.6	37%	0.373	22%	0.216	S	C	.	.	H	α-helix	trans	-65.4	-41.2	176.6	-167.4	-107.2	0	0	0	112.2	L222 I223 L224 T228 A229 I230 C354 L358	L222-F226 PolarHBondContact O-N 2.87Å; L222-F226 VanDerWaalsContact O-N 3.07Å; I223-F226 PolarHBondContact O-N 3.07Å; L224-F226 VanDerWaalsContact C-N 3.33Å; F226-T228 PolarHBondContact O-N 3.4Å; F226-A229 WeakPolarHBondContact O-CB 3.5Å; F226-A229 PolarHBondContact O-N 2.74Å; F226-I230 HydrophobicContact CD1-CD1 4Å; F226-I230 HydrophobicContact CE1-CD1 3.6Å; F226-I230 HydrophobicContact CZ-CD1 3.95Å; F226-I230 PolarHBondContact O-N 3.4Å; F226-C354 HydrophobicContact CE2-CB 4.01Å; F226-C354 HydrophobicContact CZ-CB 4.35Å; F226-L358 HydrophobicContact CD2-CD1 4.09Å; F226-L358 HydrophobicContact CE2-CB 4.36Å; F226-L358 HydrophobicContact CE2-CD1 4.07Å
227	Y	91.9	Very high	89.5	Confident	52 Å²	52	40.1 Å²	40.1	20%	0.204	20%	0.196	C	C	.	.	H	α-helix	trans	-55	-51.5	169.7	168.4	-92.5	0	0	0	111.6	I223 L224 A229 I230 M231 V250 D251 V254	I223-Y227 PolarHBondContact O-N 2.9Å; L224-Y227 PolarHBondContact O-N 2.83Å; Y227-A229 VanDerWaalsContact C-N 3.28Å; Y227-A229 PolarHBondContact O-N 3.09Å; Y227-I230 PolarHBondContact O-N 2.92Å; Y227-I230 VanDerWaalsContact O-N 3.15Å; Y227-M231 HydrophobicContact CD2-CG 3.95Å; Y227-M231 HydrophobicContact CE1-CB 4.42Å; Y227-M231 HydrophobicContact CE1-CG 4.14Å; Y227-M231 HydrophobicContact CE2-CE 3.79Å; Y227-M231 HydrophobicContact CE2-CG 3.48Å; Y227-M231 VanDerWaalsContact CE2-CG 3.48Å; Y227-M231 HydrophobicContact CG-CG 4.47Å; Y227-M231 PolarHBondContact O-N 3.44Å; Y227-V250 WeakPolarHBondContact OH-CG1 3.4Å; Y227-D251 WeakPolarHBondContact CE1-OD1 3.48Å; Y227-D251 PolarHBondContact OH-OD1 3.01Å; Y227-V254 HydrophobicContact CD1-CG1 4.49Å; Y227-V254 HydrophobicContact CD1-CG2 4.2Å; Y227-V254 HydrophobicContact CE1-CG2 4.01Å
228	T	90.3	Very high	89.1	Confident	5 Å²	5	38.1 Å²	38.1	3%	0.031	19%	0.188	C	C	.	.	H	α-helix	trans	-64.8	-31.8	179.7	56.3	0	0	0	0	113	L224 T225 F226 I230 V232 V254 F258	L224-T228 WeakPolarHBondContact O-CG2 3.49Å; L224-T228 PolarHBondContact O-N 3.3Å; L224-T228 PolarHBondContact O-OG1 2.66Å; T225-T228 WeakPolarHBondContact CA-OG1 3.33Å; T225-T228 PolarHBondContact O-N 3.44Å; T225-T228 PolarHBondContact O-OG1 3.1Å; F226-T228 PolarHBondContact O-N 3.4Å; T228-I230 PolarHBondContact O-N 3.39Å; T228-V232 VanDerWaalsContact O-CB 3.26Å; T228-V232 WeakPolarHBondContact O-CB 3.14Å; T228-V232 VanDerWaalsContact O-CG2 3.27Å; T228-V232 WeakPolarHBondContact O-CG2 3.31Å; T228-V232 PolarHBondContact O-N 2.86Å; T228-V232 VanDerWaalsContact O-N 3.09Å; T228-V254 HydrophobicContact CG2-CG1 3.86Å; T228-F258 HydrophobicContact CG2-CE2 4.14Å
229	A	91.5	Very high	88.6	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.008	21%	0.212	C	C	.	.	H	α-helix	trans	-67.7	-20.7	177.9	0	0	0	0	0	113.5	T225 F226 Y227 P233 L331 L358 W362	T225-A229 WeakPolarHBondContact O-CB 3.11Å; T225-A229 PolarHBondContact O-N 3.15Å; F226-A229 WeakPolarHBondContact O-CB 3.5Å; F226-A229 PolarHBondContact O-N 2.74Å; Y227-A229 VanDerWaalsContact C-N 3.28Å; Y227-A229 PolarHBondContact O-N 3.09Å; A229-P233 WeakPolarHBondContact O-CD 3.48Å; A229-P233 WeakPolarHBondContact O-CG 3.38Å; A229-L331 HydrophobicContact CB-CD1 3.89Å; A229-L358 HydrophobicContact CB-CD1 3.64Å; A229-L358 HydrophobicContact CB-CG 4.35Å; A229-W362 PolarHBondContact O-NE1 2.82Å
230	I	92	Very high	87.7	Confident	54 Å²	54	40.5 Å²	40.5	28%	0.277	20%	0.199	S	C	.	.	H	α-helix	trans	-97.3	-49.5	176	-63.6	169.5	0	0	0	110.5	F226 Y227 T228 V232 P233 Y234 H361	F226-I230 HydrophobicContact CD1-CD1 4Å; F226-I230 HydrophobicContact CE1-CD1 3.6Å; F226-I230 HydrophobicContact CZ-CD1 3.95Å; F226-I230 PolarHBondContact O-N 3.4Å; Y227-I230 PolarHBondContact O-N 2.92Å; Y227-I230 VanDerWaalsContact O-N 3.15Å; T228-I230 PolarHBondContact O-N 3.39Å; I230-V232 PolarHBondContact O-N 3.29Å; I230-P233 WeakPolarHBondContact O-CD 3.47Å; I230-Y234 VanDerWaalsContact O-CB 3.32Å; I230-Y234 WeakPolarHBondContact O-CB 3.38Å; I230-Y234 PolarHBondContact O-N 2.97Å; I230-H361 PolarHBondContact O-NE2 2.81Å
231	M	88.9	Confident	86.1	Confident	42 Å²	42	46.2 Å²	46.2	21%	0.207	22%	0.218	C	C	.	.	H	α-helix	trans	-70.3	-32.1	-174.3	-68.6	-55	-154	0	0	113.7	Y227 N235 W247	Y227-M231 HydrophobicContact CD2-CG 3.95Å; Y227-M231 HydrophobicContact CE1-CB 4.42Å; Y227-M231 HydrophobicContact CE1-CG 4.14Å; Y227-M231 HydrophobicContact CE2-CE 3.79Å; Y227-M231 HydrophobicContact CE2-CG 3.48Å; Y227-M231 VanDerWaalsContact CE2-CG 3.48Å; Y227-M231 HydrophobicContact CG-CG 4.47Å; Y227-M231 PolarHBondContact O-N 3.44Å; M231-N235 VanDerWaalsContact O-CB 3.26Å; M231-N235 WeakPolarHBondContact O-CB 3.28Å; M231-N235 VanDerWaalsContact O-CG 3.29Å; M231-N235 PolarHBondContact O-N 2.85Å; M231-N235 PolarHBondContact O-ND2 3.23Å; M231-W247 HydrophobicContact CE-CH2 3.88Å; M231-W247 HydrophobicContact CE-CZ3 3.73Å
232	V	87.9	Confident	84.4	Confident	9 Å²	9	50.6 Å²	50.6	6%	0.055	24%	0.238	C	C	.	.	H	α-helix	trans	-68.4	-52.4	-177.5	171.8	0	0	0	0	112.4	T228 I230 Y234 N235 V236 K324 R327 L328	T228-V232 VanDerWaalsContact O-CB 3.26Å; T228-V232 WeakPolarHBondContact O-CB 3.14Å; T228-V232 VanDerWaalsContact O-CG2 3.27Å; T228-V232 WeakPolarHBondContact O-CG2 3.31Å; T228-V232 PolarHBondContact O-N 2.86Å; T228-V232 VanDerWaalsContact O-N 3.09Å; I230-V232 PolarHBondContact O-N 3.29Å; V232-Y234 VanDerWaalsContact C-N 3.34Å; V232-Y234 PolarHBondContact O-N 3.01Å; V232-N235 PolarHBondContact O-N 3.06Å; V232-V236 WeakPolarHBondContact O-CB 3.47Å; V232-V236 VanDerWaalsContact O-CG2 3.28Å; V232-V236 WeakPolarHBondContact O-CG2 3.5Å; V232-V236 PolarHBondContact O-N 3.29Å; V232-K324 HydrophobicContact CG1-CB 4.49Å; V232-K324 WeakPolarHBondContact CG1-O 3.31Å; V232-R327 HydrophobicContact CG2-CB 3.95Å; V232-L328 HydrophobicContact CB-CD2 4.35Å; V232-L328 HydrophobicContact CG1-CD2 4.44Å; V232-L328 HydrophobicContact CG1-CG 4.44Å
233	P	90.9	Very high	82.8	Confident	16 Å²	16	55.6 Å²	55.6	10%	0.104	27%	0.265	C	S	.	.	H	α-helix	trans	-62.2	-40.7	175.8	-21.8	34.5	0	0	0	112.3	A229 I230 V236 S237 L328 W362 C365	A229-P233 WeakPolarHBondContact O-CD 3.48Å; A229-P233 WeakPolarHBondContact O-CG 3.38Å; I230-P233 WeakPolarHBondContact O-CD 3.47Å; P233-V236 PolarHBondContact O-N 3.5Å; P233-S237 WeakPolarHBondContact O-CB 3.45Å; P233-S237 PolarHBondContact O-N 2.85Å; P233-S237 PolarHBondContact O-OG 3.42Å; P233-L328 HydrophobicContact CG-CD1 4.43Å; P233-L328 HydrophobicContact CG-CD2 4.2Å; P233-W362 HydrophobicContact CG-CG 4.5Å; P233-C365 HydrophobicContact CB-CB 4.1Å
234	Y	89.9	Confident	81.7	Confident	44 Å²	44	55.1 Å²	55.1	17%	0.173	26%	0.264	C	S	.	.	H	α-helix	trans	-58.3	-51.3	176.7	178.8	-101.3	0	0	0	112.3	I230 V232 V236 S237 F238 T240 Y420	I230-Y234 VanDerWaalsContact O-CB 3.32Å; I230-Y234 WeakPolarHBondContact O-CB 3.38Å; I230-Y234 PolarHBondContact O-N 2.97Å; V232-Y234 VanDerWaalsContact C-N 3.34Å; V232-Y234 PolarHBondContact O-N 3.01Å; Y234-V236 PolarHBondContact O-N 2.87Å; Y234-S237 PolarHBondContact O-N 2.81Å; Y234-F238 AromaticContact CD2-CD2 3.59Å; Y234-F238 HydrophobicContact CD2-CD2 3.59Å; Y234-F238 HydrophobicContact CD2-CE2 4.12Å; Y234-F238 HydrophobicContact CD2-CG 4.19Å; Y234-F238 HydrophobicContact CE2-CB 4.31Å; Y234-F238 AromaticContact CE2-CD2 3.88Å; Y234-F238 HydrophobicContact CE2-CD2 3.88Å; Y234-F238 HydrophobicContact CE2-CE2 4.46Å; Y234-F238 HydrophobicContact CE2-CG 4.04Å; Y234-F238 HydrophobicContact CG-CD2 4.37Å; Y234-F238 WeakPolarHBondContact O-CB 3.49Å; Y234-F238 PolarHBondContact O-N 3.28Å; Y234-T240 HydrophobicContact CE1-CG2 3.82Å; Y234-Y420 AromaticContact CD2-CD2 3.88Å; Y234-Y420 HydrophobicContact CD2-CD2 3.88Å; Y234-Y420 HydrophobicContact CD2-CE2 4.11Å; Y234-Y420 HydrophobicContact CD2-CG 4.38Å; Y234-Y420 HydrophobicContact CE2-CD2 4.02Å; Y234-Y420 HydrophobicContact CE2-CG 4.06Å
235	N	85.9	Confident	81	Confident	37 Å²	37	59.8 Å²	59.8	20%	0.198	29%	0.289	C	S	.	.	H	α-helix	trans	-67.2	-34.4	-179	-75.6	-24.1	0	0	0	112.9	M231 V232 R239 T240	M231-N235 VanDerWaalsContact O-CB 3.26Å; M231-N235 WeakPolarHBondContact O-CB 3.28Å; M231-N235 VanDerWaalsContact O-CG 3.29Å; M231-N235 PolarHBondContact O-N 2.85Å; M231-N235 PolarHBondContact O-ND2 3.23Å; V232-N235 PolarHBondContact O-N 3.06Å; N235-R239 PolarHBondContact O-N 2.77Å; N235-T240 PolarHBondContact OD1-OG1 2.72Å
236	V	84.3	Confident	80.6	Confident	48 Å²	48	62.8 Å²	62.8	29%	0.291	31%	0.314	S	S	.	.	H	α-helix	trans	-67.6	-51.2	175.4	169.3	0	0	0	0	111	V232 P233 Y234 K324 V325	V232-V236 WeakPolarHBondContact O-CB 3.47Å; V232-V236 VanDerWaalsContact O-CG2 3.28Å; V232-V236 WeakPolarHBondContact O-CG2 3.5Å; V232-V236 PolarHBondContact O-N 3.29Å; P233-V236 PolarHBondContact O-N 3.5Å; Y234-V236 PolarHBondContact O-N 2.87Å; V236-K324 HydrophobicContact CG2-CB 4.23Å; V236-V325 HydrophobicContact CG1-CG2 4.45Å; V236-V325 HydrophobicContact CG2-CG2 4.25Å
237	S	86.7	Confident	80.1	Confident	15 Å²	15	65.4 Å²	65.4	11%	0.105	32%	0.321	C	S	.	.	H	α-helix	trans	-75.2	-48.2	-175.1	-63.8	0	0	0	0	113.2	P233 Y234 R239 C365 Y368	P233-S237 WeakPolarHBondContact O-CB 3.45Å; P233-S237 PolarHBondContact O-N 2.85Å; P233-S237 PolarHBondContact O-OG 3.42Å; Y234-S237 PolarHBondContact O-N 2.81Å; S237-R239 VanDerWaalsContact C-N 3.27Å; S237-R239 PolarHBondContact O-N 3.49Å; S237-C365 WeakPolarHBondContact CB-O 3.36Å; S237-C365 PolarHBondContact OG-O 3.47Å; S237-C365 VanDerWaalsContact OG-O 3.13Å; S237-Y368 WeakPolarHBondContact O-CE1 3.32Å
238	F	84.8	Confident	79.5	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	1.8	-174.2	-69.5	-90	0	0	0	113.7	Y234 T240 Y368 K416 L419 Y420	Y234-F238 AromaticContact CD2-CD2 3.59Å; Y234-F238 HydrophobicContact CD2-CD2 3.59Å; Y234-F238 HydrophobicContact CD2-CE2 4.12Å; Y234-F238 HydrophobicContact CD2-CG 4.19Å; Y234-F238 HydrophobicContact CE2-CB 4.31Å; Y234-F238 AromaticContact CE2-CD2 3.88Å; Y234-F238 HydrophobicContact CE2-CD2 3.88Å; Y234-F238 HydrophobicContact CE2-CE2 4.46Å; Y234-F238 HydrophobicContact CE2-CG 4.04Å; Y234-F238 HydrophobicContact CG-CD2 4.37Å; Y234-F238 WeakPolarHBondContact O-CB 3.49Å; Y234-F238 PolarHBondContact O-N 3.28Å; F238-T240 VanDerWaalsContact C-N 3.31Å; F238-T240 PolarHBondContact O-N 3.09Å; F238-Y368 AromaticContact CD1-CD1 3.92Å; F238-Y368 HydrophobicContact CD1-CD1 3.92Å; F238-Y368 HydrophobicContact CD1-CD2 4.06Å; F238-Y368 HydrophobicContact CD1-CE1 4.06Å; F238-Y368 HydrophobicContact CD1-CE2 4.16Å; F238-Y368 AromaticContact CD1-CG 3.94Å; F238-Y368 HydrophobicContact CD1-CG 3.94Å; F238-Y368 HydrophobicContact CD2-CD1 4.48Å; F238-Y368 AromaticContact CE1-CD1 3.86Å; F238-Y368 HydrophobicContact CE1-CD1 3.86Å; F238-Y368 AromaticContact CE1-CD2 3.39Å; F238-Y368 HydrophobicContact CE1-CD2 3.39Å; F238-Y368 HydrophobicContact CE1-CE1 4.31Å; F238-Y368 AromaticContact CE1-CE2 3.88Å; F238-Y368 HydrophobicContact CE1-CE2 3.88Å; F238-Y368 AromaticContact CE1-CG 3.38Å; F238-Y368 HydrophobicContact CE1-CG 3.38Å; F238-Y368 HydrophobicContact CE2-CD1 4.4Å; F238-Y368 HydrophobicContact CE2-CG 4.17Å; F238-Y368 HydrophobicContact CG-CD1 4.24Å; F238-Y368 HydrophobicContact CG-CE1 4.49Å; F238-Y368 HydrophobicContact CZ-CD1 4.09Å; F238-Y368 AromaticContact CZ-CD2 3.89Å; F238-Y368 HydrophobicContact CZ-CD2 3.89Å; F238-Y368 AromaticContact CZ-CG 3.5Å; F238-Y368 HydrophobicContact CZ-CG 3.5Å; F238-K416 PolarHBondContact O-NZ 3.24Å; F238-L419 HydrophobicContact CE1-CB 4.15Å; F238-Y420 AromaticContact CE2-CD2 3.74Å; F238-Y420 HydrophobicContact CE2-CD2 3.74Å; F238-Y420 AromaticContact CZ-CD2 3.83Å; F238-Y420 HydrophobicContact CZ-CD2 3.83Å; F238-Y420 HydrophobicContact CZ-CG 4.36Å
239	R	76.1	Confident	79.3	Confident	167 Å²	167	68.7 Å²	68.7	63%	0.63	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	41.7	57.1	176	-68.6	175.9	167.6	175.9	-7.4	112	N235 S237 K241 K416	N235-R239 PolarHBondContact O-N 2.77Å; S237-R239 VanDerWaalsContact C-N 3.27Å; S237-R239 PolarHBondContact O-N 3.49Å; R239-K241 PolarHBondContact O-N 3.44Å; R239-K416 PolarHBondContact O-NZ 3.44Å
240	T	68.6	Low	79	Confident	32 Å²	32	71.6 Å²	71.6	20%	0.196	36%	0.362	C	S	.	.			trans	-70.7	87.3	178.5	36.1	0	0	0	0	109.6	Y234 N235 F238 H242	Y234-T240 HydrophobicContact CE1-CG2 3.82Å; N235-T240 PolarHBondContact OD1-OG1 2.72Å; F238-T240 VanDerWaalsContact C-N 3.31Å; F238-T240 PolarHBondContact O-N 3.09Å; T240-H242 PolarHBondContact O-CE1 2.94Å; T240-H242 PolarHBondContact O-N 3.42Å; T240-H242 VanDerWaalsContact O-N 3.13Å; T240-H242 PolarHBondContact O-ND1 3.06Å
241	K	57.7	Low	78.7	Confident	183 Å²	183	70 Å²	70	80%	0.796	35%	0.354	S	S	*	.			trans	-45.1	124	175.3	-73.4	-167	173.2	-170.4	0	109.7	R239 N243	R239-K241 PolarHBondContact O-N 3.44Å; K241-N243 WeakPolarHBondContact CB-OD1 3.29Å; K241-N243 PolarHBondContact O-N 2.91Å
242	H	55.4	Low	78.5	Confident	94 Å²	94	69.3 Å²	69.3	44%	0.435	35%	0.353	S	S	.	.			trans	-75.8	47.4	-167.2	-62.1	-4.9	0	0	0	112.8	T240 N244 D304 K324	T240-H242 PolarHBondContact O-CE1 2.94Å; T240-H242 PolarHBondContact O-N 3.42Å; T240-H242 VanDerWaalsContact O-N 3.13Å; T240-H242 PolarHBondContact O-ND1 3.06Å; H242-N244 PolarHBondContact O-N 2.96Å; H242-N244 VanDerWaalsContact O-N 3.15Å; H242-D304 IonicContact NE2-OD1 3.61Å; H242-K324 PolarHBondContact NE2-NZ 3.36Å
243	N	54.2	Low	78.6	Confident	140 Å²	140	72.8 Å²	72.8	75%	0.749	37%	0.374	S	S	*	.			trans	-64.4	-17.8	-178.5	-65.5	17.1	0	0	0	112.9	K241	K241-N243 WeakPolarHBondContact CB-OD1 3.29Å; K241-N243 PolarHBondContact O-N 2.91Å
244	N	67.2	Low	78.6	Confident	103 Å²	103	72.5 Å²	72.5	55%	0.551	37%	0.372	S	S	*	.			trans	-104.9	100.3	177.1	-67.4	-6.4	0	0	0	109.8	H242 A246 W247	H242-N244 PolarHBondContact O-N 2.96Å; H242-N244 VanDerWaalsContact O-N 3.15Å; N244-A246 PolarHBondContact O-N 2.92Å; N244-W247 PolarHBondContact O-N 2.99Å
245	L	76.4	Confident	78.5	Confident	125 Å²	125	70.8 Å²	70.8	65%	0.654	37%	0.366	S	S	*	.	H	α-helix	trans	-48.9	-31.2	175	179.3	61.1	0	0	0	113	W247 L248 V249	L245-W247 VanDerWaalsContact C-N 3.33Å; L245-W247 PolarHBondContact O-N 2.91Å; L245-L248 HydrophobicContact CD1-CD2 4.3Å; L245-L248 PolarHBondContact O-N 3.34Å; L245-V249 HydrophobicContact CD1-CG2 4.35Å; L245-V249 HydrophobicContact CG-CG2 4.23Å; L245-V249 WeakPolarHBondContact O-CG2 3.32Å; L245-V249 PolarHBondContact O-N 3.06Å
246	A	81	Confident	78.8	Confident	67 Å²	67	72.9 Å²	72.9	55%	0.554	38%	0.38	S	S	*	.	H	α-helix	trans	-54.4	-40.4	177.2	0	0	0	0	0	114	N244 V249 V250	N244-A246 PolarHBondContact O-N 2.92Å; A246-V249 PolarHBondContact O-N 2.86Å; A246-V250 WeakPolarHBondContact O-CG2 3.42Å; A246-V250 PolarHBondContact O-N 3.14Å
247	W	81.3	Confident	79.2	Confident	140 Å²	140	72.7 Å²	72.7	53%	0.53	38%	0.377	S	S	.	.	H	α-helix	trans	-70.2	-39.8	179.5	-74	123.5	0	0	0	112.1	M231 N244 L245 V249 V250 D251	M231-W247 HydrophobicContact CE-CH2 3.88Å; M231-W247 HydrophobicContact CE-CZ3 3.73Å; N244-W247 PolarHBondContact O-N 2.99Å; L245-W247 VanDerWaalsContact C-N 3.33Å; L245-W247 PolarHBondContact O-N 2.91Å; W247-V249 VanDerWaalsContact C-N 3.31Å; W247-V249 PolarHBondContact O-N 2.79Å; W247-V250 PolarHBondContact O-N 3.26Å; W247-D251 PolarHBondContact O-N 3.4Å
248	L	79.1	Confident	79.4	Confident	47 Å²	47	72 Å²	72	25%	0.246	37%	0.372	C	S	.	.	H	α-helix	trans	-62.1	-39.4	173.8	177	60.9	0	0	0	111.5	L245 S252 D304	L245-L248 HydrophobicContact CD1-CD2 4.3Å; L245-L248 PolarHBondContact O-N 3.34Å; L248-S252 VanDerWaalsContact O-CB 3.28Å; L248-S252 WeakPolarHBondContact O-CB 3.44Å; L248-S252 PolarHBondContact O-N 3.09Å; L248-S252 PolarHBondContact O-OG 3.24Å; L248-D304 HydrophobicContact CD1-CB 3.64Å
249	V	85.4	Confident	79.7	Confident	78 Å²	78	76.3 Å²	76.3	47%	0.473	40%	0.395	S	S	.	.	H	α-helix	trans	-65.1	-43.8	174.6	171.1	0	0	0	0	111.3	L245 A246 W247 S252 V253	L245-V249 HydrophobicContact CD1-CG2 4.35Å; L245-V249 HydrophobicContact CG-CG2 4.23Å; L245-V249 WeakPolarHBondContact O-CG2 3.32Å; L245-V249 PolarHBondContact O-N 3.06Å; A246-V249 PolarHBondContact O-N 2.86Å; W247-V249 VanDerWaalsContact C-N 3.31Å; W247-V249 PolarHBondContact O-N 2.79Å; V249-S252 PolarHBondContact O-N 2.89Å; V249-V253 WeakPolarHBondContact O-CG2 3.24Å; V249-V253 PolarHBondContact O-N 3.43Å
250	V	86	Confident	80.6	Confident	62 Å²	62	72.1 Å²	72.1	38%	0.376	38%	0.384	S	S	.	.	H	α-helix	trans	-61	-51.8	176.8	170	0	0	0	0	111.1	Y227 A246 W247 S252 V253 V254	Y227-V250 WeakPolarHBondContact OH-CG1 3.4Å; A246-V250 WeakPolarHBondContact O-CG2 3.42Å; A246-V250 PolarHBondContact O-N 3.14Å; W247-V250 PolarHBondContact O-N 3.26Å; V250-S252 VanDerWaalsContact C-N 3.27Å; V250-S252 PolarHBondContact O-N 2.89Å; V250-V253 PolarHBondContact O-N 2.84Å; V250-V253 VanDerWaalsContact O-N 3.11Å; V250-V254 WeakPolarHBondContact O-CG2 3.5Å; V250-V254 PolarHBondContact O-N 2.96Å
251	D	84.9	Confident	81.7	Confident	21 Å²	21	70.8 Å²	70.8	11%	0.112	38%	0.376	C	S	.	.	H	α-helix	trans	-63.3	-34.1	-179.9	-77.8	0.7	0	0	0	111.8	Y227 W247 V254 D255	Y227-D251 WeakPolarHBondContact CE1-OD1 3.48Å; Y227-D251 PolarHBondContact OH-OD1 3.01Å; W247-D251 PolarHBondContact O-N 3.4Å; D251-V254 PolarHBondContact O-N 3.5Å; D251-D255 PolarHBondContact O-N 2.77Å
252	S	85.4	Confident	83.4	Confident	28 Å²	28	62.5 Å²	62.5	20%	0.196	34%	0.34	C	S	.	.	H	α-helix	trans	-64.9	-41.5	172.6	-59.6	0	0	0	0	112.7	L248 V249 V250 V254 D255 V256	L248-S252 VanDerWaalsContact O-CB 3.28Å; L248-S252 WeakPolarHBondContact O-CB 3.44Å; L248-S252 PolarHBondContact O-N 3.09Å; L248-S252 PolarHBondContact O-OG 3.24Å; V249-S252 PolarHBondContact O-N 2.89Å; V250-S252 VanDerWaalsContact C-N 3.27Å; V250-S252 PolarHBondContact O-N 2.89Å; S252-V254 VanDerWaalsContact C-N 3.35Å; S252-D255 PolarHBondContact O-N 3.26Å; S252-V256 WeakPolarHBondContact O-CG2 3.21Å; S252-V256 PolarHBondContact O-N 2.97Å
253	V	89.9	Confident	85.2	Confident	81 Å²	81	61.8 Å²	61.8	49%	0.491	34%	0.342	S	S	.	.	H	α-helix	trans	-64.7	-40	175	167.7	0	0	0	0	110.9	V249 V250 V256 I257	V249-V253 WeakPolarHBondContact O-CG2 3.24Å; V249-V253 PolarHBondContact O-N 3.43Å; V250-V253 PolarHBondContact O-N 2.84Å; V250-V253 VanDerWaalsContact O-N 3.11Å; V253-V256 PolarHBondContact O-N 3.37Å; V253-I257 HydrophobicContact CG1-CD1 4.09Å; V253-I257 WeakPolarHBondContact O-CG1 3.26Å; V253-I257 PolarHBondContact O-N 3.43Å
254	V	90.4	Very high	86.9	Confident	10 Å²	10	56.5 Å²	56.5	6%	0.061	31%	0.314	C	S	.	.	H	α-helix	trans	-61.8	-44.5	174.9	174.3	0	0	0	0	111.1	L224 Y227 T228 V250 D251 S252 V256 I257 F258	L224-V254 HydrophobicContact CD2-CG1 4.37Å; L224-V254 HydrophobicContact CD2-CG2 3.96Å; Y227-V254 HydrophobicContact CD1-CG1 4.49Å; Y227-V254 HydrophobicContact CD1-CG2 4.2Å; Y227-V254 HydrophobicContact CE1-CG2 4.01Å; T228-V254 HydrophobicContact CG2-CG1 3.86Å; V250-V254 WeakPolarHBondContact O-CG2 3.5Å; V250-V254 PolarHBondContact O-N 2.96Å; D251-V254 PolarHBondContact O-N 3.5Å; S252-V254 VanDerWaalsContact C-N 3.35Å; V254-V256 PolarHBondContact O-N 3.4Å; V254-I257 PolarHBondContact O-N 3.24Å; V254-F258 HydrophobicContact CG1-CD2 3.79Å; V254-F258 HydrophobicContact CG1-CE2 3.54Å; V254-F258 VanDerWaalsContact O-CD2 3.23Å; V254-F258 WeakPolarHBondContact O-CD2 3.37Å; V254-F258 PolarHBondContact O-N 2.98Å
255	D	89.1	Confident	88.1	Confident	8 Å²	8	52.3 Å²	52.3	4%	0.043	29%	0.291	C	S	.	.	H	α-helix	trans	-63.5	-38.3	177.2	-78.1	4.6	0	0	0	112.5	D251 S252 I257 F258 L259 R327 R330	D251-D255 PolarHBondContact O-N 2.77Å; S252-D255 PolarHBondContact O-N 3.26Å; D255-I257 PolarHBondContact O-N 2.85Å; D255-F258 PolarHBondContact O-N 3.23Å; D255-L259 PolarHBondContact O-N 3.27Å; D255-R327 IonicContact OD1-NE 3.33Å; D255-R327 IonicContact OD2-CZ 3.89Å; D255-R327 IonicContact OD2-NE 2.63Å; D255-R327 PolarHBondContact OD2-NE 3.5Å; D255-R327 IonicContact OD2-NH2 2.85Å; D255-R327 PolarHBondContact OD2-NH2 2.96Å; D255-R330 IonicContact OD1-CZ 3.59Å; D255-R330 IonicContact OD1-NH1 2.76Å; D255-R330 PolarHBondContact OD1-NH1 3.23Å; D255-R330 IonicContact OD1-NH2 2.68Å; D255-R330 PolarHBondContact OD1-NH2 2.88Å; D255-R330 IonicContact OD2-NH2 3.59Å
256	V	91	Very high	88.8	Confident	81 Å²	81	48.4 Å²	48.4	49%	0.491	27%	0.269	S	S	.	.	H	α-helix	trans	-61.9	-40.2	172	169.8	0	0	0	0	111.9	S252 V253 V254 F258 L259 I260	S252-V256 WeakPolarHBondContact O-CG2 3.21Å; S252-V256 PolarHBondContact O-N 2.97Å; V253-V256 PolarHBondContact O-N 3.37Å; V254-V256 PolarHBondContact O-N 3.4Å; V256-F258 VanDerWaalsContact C-N 3.34Å; V256-F258 PolarHBondContact O-N 3.5Å; V256-L259 WeakPolarHBondContact O-CB 3.4Å; V256-L259 PolarHBondContact O-N 3.32Å; V256-I260 HydrophobicContact CG1-CD1 4.11Å; V256-I260 WeakPolarHBondContact O-CG1 3.47Å; V256-I260 PolarHBondContact O-N 2.82Å
257	I	92.6	Very high	89.4	Confident	44 Å²	44	47.5 Å²	47.5	23%	0.226	25%	0.253	C	S	.	.	H	α-helix	trans	-65.3	-38.1	176.5	-65.9	163.8	0	0	0	111.2	W217 I221 L224 V253 V254 D255 I260 D261	W217-I257 HydrophobicContact CH2-CG2 3.84Å; W217-I257 HydrophobicContact CZ2-CG2 4.04Å; I221-I257 HydrophobicContact CD1-CG2 3.92Å; L224-I257 HydrophobicContact CD1-CB 4.04Å; L224-I257 HydrophobicContact CD1-CD1 3.97Å; L224-I257 HydrophobicContact CD1-CG2 3.47Å; L224-I257 VanDerWaalsContact CD1-CG2 3.47Å; V253-I257 HydrophobicContact CG1-CD1 4.09Å; V253-I257 WeakPolarHBondContact O-CG1 3.26Å; V253-I257 PolarHBondContact O-N 3.43Å; V254-I257 PolarHBondContact O-N 3.24Å; D255-I257 PolarHBondContact O-N 2.85Å; I257-I260 PolarHBondContact O-N 3.07Å; I257-D261 PolarHBondContact O-N 3.05Å
258	F	91.7	Very high	89.8	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-67.6	-33.2	173.3	-79.3	-69.3	0	0	0	113.2	I221 L224 T225 T228 V254 D255 V256 D261 I262 C300 R330	I221-F258 HydrophobicContact CD1-CD1 4.43Å; I221-F258 HydrophobicContact CD1-CE1 4.42Å; I221-F258 HydrophobicContact CG2-CE1 4.02Å; L224-F258 HydrophobicContact CB-CE2 4Å; L224-F258 HydrophobicContact CB-CZ 3.9Å; T225-F258 HydrophobicContact CG2-CE1 3.7Å; T225-F258 HydrophobicContact CG2-CZ 3.67Å; T228-F258 HydrophobicContact CG2-CE2 4.14Å; V254-F258 HydrophobicContact CG1-CD2 3.79Å; V254-F258 HydrophobicContact CG1-CE2 3.54Å; V254-F258 VanDerWaalsContact O-CD2 3.23Å; V254-F258 WeakPolarHBondContact O-CD2 3.37Å; V254-F258 PolarHBondContact O-N 2.98Å; D255-F258 PolarHBondContact O-N 3.23Å; V256-F258 VanDerWaalsContact C-N 3.34Å; V256-F258 PolarHBondContact O-N 3.5Å; F258-D261 WeakPolarHBondContact O-CB 3.41Å; F258-D261 PolarHBondContact O-N 3.11Å; F258-I262 PolarHBondContact O-N 2.85Å; F258-C300 HydrophobicContact CB-CB 4.38Å; F258-R330 HydrophobicContact CE1-CG 4.44Å
259	L	91.3	Very high	90.4	Very high	92 Å²	92	39.6 Å²	39.6	48%	0.482	22%	0.222	S	C	.	.	H	α-helix	trans	-65.9	-40.7	172.3	-174.4	63.5	0	0	0	111.5	D255 V256 D261 I262 V263	D255-L259 PolarHBondContact O-N 3.27Å; V256-L259 WeakPolarHBondContact O-CB 3.4Å; V256-L259 PolarHBondContact O-N 3.32Å; L259-D261 VanDerWaalsContact C-N 3.33Å; L259-D261 PolarHBondContact O-N 2.82Å; L259-I262 PolarHBondContact O-N 3.28Å; L259-V263 PolarHBondContact O-N 3.37Å
260	I	93.3	Very high	90.5	Very high	79 Å²	79	38.2 Å²	38.2	41%	0.405	21%	0.21	S	C	.	.	H	α-helix	trans	-62.1	-40	172.6	-66.1	165.3	0	0	0	110.7	W217 V256 I257 I262 V263 L264	W217-I260 HydrophobicContact CH2-CB 4.15Å; W217-I260 HydrophobicContact CH2-CG2 3.6Å; W217-I260 HydrophobicContact CZ2-CB 4.25Å; W217-I260 HydrophobicContact CZ2-CG2 3.81Å; V256-I260 HydrophobicContact CG1-CD1 4.11Å; V256-I260 WeakPolarHBondContact O-CG1 3.47Å; V256-I260 PolarHBondContact O-N 2.82Å; I257-I260 PolarHBondContact O-N 3.07Å; I260-I262 VanDerWaalsContact C-N 3.32Å; I260-I262 PolarHBondContact O-N 3.37Å; I260-V263 PolarHBondContact O-N 3.46Å; I260-L264 HydrophobicContact CG2-CD1 3.86Å; I260-L264 HydrophobicContact CG2-CG 4.24Å; I260-L264 WeakPolarHBondContact O-CG 3.3Å; I260-L264 PolarHBondContact O-N 3.01Å
261	D	92.9	Very high	90.5	Very high	4 Å²	4	38 Å²	38	2%	0.021	21%	0.209	C	C	.	.	H	α-helix	trans	-59.5	-40	175.3	-170.3	57	0	0	0	112.2	W217 I221 I257 F258 L259 V263 L264 N265 R333	W217-D261 HydrophobicContact CZ2-CB 4.25Å; W217-D261 PolarHBondContact NE1-OD1 2.82Å; I221-D261 HydrophobicContact CD1-CB 3.8Å; I221-D261 HydrophobicContact CG1-CB 4.34Å; I257-D261 PolarHBondContact O-N 3.05Å; F258-D261 WeakPolarHBondContact O-CB 3.41Å; F258-D261 PolarHBondContact O-N 3.11Å; L259-D261 VanDerWaalsContact C-N 3.33Å; L259-D261 PolarHBondContact O-N 2.82Å; D261-V263 PolarHBondContact O-N 3.24Å; D261-L264 PolarHBondContact O-N 3.1Å; D261-N265 VanDerWaalsContact CG-ND2 3.29Å; D261-N265 WeakPolarHBondContact O-CB 3.39Å; D261-N265 PolarHBondContact O-N 3.47Å; D261-N265 PolarHBondContact O-ND2 2.89Å; D261-N265 PolarHBondContact OD2-ND2 3.19Å; D261-R333 IonicContact OD2-CZ 2.68Å; D261-R333 IonicContact OD2-NH1 2.72Å; D261-R333 PolarHBondContact OD2-NH1 3.15Å
262	I	92.3	Very high	90.3	Very high	8 Å²	8	37.4 Å²	37.4	4%	0.041	21%	0.207	C	C	.	.	H	α-helix	trans	-61.6	-45.3	175.3	-66.2	173	0	0	0	110.8	F258 L259 I260 L264 N265 F266 Y288 F293 D296 C300	F258-I262 PolarHBondContact O-N 2.85Å; L259-I262 PolarHBondContact O-N 3.28Å; I260-I262 VanDerWaalsContact C-N 3.32Å; I260-I262 PolarHBondContact O-N 3.37Å; I262-L264 VanDerWaalsContact C-N 3.32Å; I262-L264 PolarHBondContact O-N 3.23Å; I262-N265 PolarHBondContact O-N 3.14Å; I262-F266 HydrophobicContact CG2-CD2 4.06Å; I262-F266 HydrophobicContact CG2-CE2 3.86Å; I262-F266 VanDerWaalsContact O-CD2 3.3Å; I262-F266 WeakPolarHBondContact O-CD2 3.41Å; I262-F266 PolarHBondContact O-N 3.36Å; I262-F266 VanDerWaalsContact O-N 3.15Å; I262-Y288 HydrophobicContact CG2-CE1 4.28Å; I262-F293 HydrophobicContact CG2-CD2 4.21Å; I262-F293 HydrophobicContact CG2-CE2 4.15Å; I262-D296 HydrophobicContact CD1-CB 4.19Å; I262-D296 HydrophobicContact CG1-CB 4.12Å; I262-C300 HydrophobicContact CD1-CB 3.99Å; I262-C300 WeakPolarHBondContact CD1-SG 3.09Å
263	V	93.2	Very high	90	Very high	80 Å²	80	43.1 Å²	43.1	49%	0.485	24%	0.244	S	C	.	.	H	α-helix	trans	-62.6	-39	176.6	177.9	0	0	0	0	111.4	L259 I260 D261 H267	L259-V263 PolarHBondContact O-N 3.37Å; I260-V263 PolarHBondContact O-N 3.46Å; D261-V263 PolarHBondContact O-N 3.24Å; V263-H267 PolarHBondContact O-ND1 3.48Å
264	L	91.7	Very high	89.3	Confident	29 Å²	29	42.8 Å²	42.8	15%	0.152	25%	0.249	C	C	.	.	H	α-helix	trans	-68.7	-41.8	176	-69.4	169.7	0	0	0	112.1	I207 W217 I260 D261 I262 F266 H267 T268	I207-L264 HydrophobicContact CD1-CD2 3.59Å; W217-L264 HydrophobicContact CD2-CD1 3.81Å; W217-L264 VanDerWaalsContact CE2-CD1 3.41Å; W217-L264 HydrophobicContact CE3-CD1 4.35Å; W217-L264 HydrophobicContact CG-CD1 4.28Å; W217-L264 HydrophobicContact CH2-CD1 4.2Å; W217-L264 HydrophobicContact CZ2-CD1 3.65Å; I260-L264 HydrophobicContact CG2-CD1 3.86Å; I260-L264 HydrophobicContact CG2-CG 4.24Å; I260-L264 WeakPolarHBondContact O-CG 3.3Å; I260-L264 PolarHBondContact O-N 3.01Å; D261-L264 PolarHBondContact O-N 3.1Å; I262-L264 VanDerWaalsContact C-N 3.32Å; I262-L264 PolarHBondContact O-N 3.23Å; L264-F266 VanDerWaalsContact C-N 3.28Å; L264-F266 PolarHBondContact O-N 3.25Å; L264-H267 CarbonylContact O-C 3.51Å; L264-H267 WeakPolarHBondContact O-CA 3.44Å; L264-H267 PolarHBondContact O-N 3.03Å; L264-T268 VanDerWaalsContact O-CG2 3.22Å; L264-T268 WeakPolarHBondContact O-CG2 3.41Å; L264-T268 PolarHBondContact O-N 3.27Å
265	N	90.6	Very high	88.5	Confident	14 Å²	14	43.3 Å²	43.3	8%	0.075	26%	0.257	C	S	.	.	H	α-helix	trans	-60.3	-36.1	176.7	-76.3	-69.6	0	0	0	111.9	D261 I262 H267 T268 Y288 R336	D261-N265 VanDerWaalsContact CG-ND2 3.29Å; D261-N265 WeakPolarHBondContact O-CB 3.39Å; D261-N265 PolarHBondContact O-N 3.47Å; D261-N265 PolarHBondContact O-ND2 2.89Å; D261-N265 PolarHBondContact OD2-ND2 3.19Å; I262-N265 PolarHBondContact O-N 3.14Å; N265-H267 PolarHBondContact O-N 2.96Å; N265-T268 WeakPolarHBondContact CA-OG1 3.33Å; N265-T268 PolarHBondContact O-N 3.48Å; N265-T268 PolarHBondContact O-OG1 3.23Å; N265-Y288 HydrophobicContact CB-CD1 4.43Å; N265-Y288 HydrophobicContact CB-CD2 4.32Å; N265-Y288 HydrophobicContact CB-CE1 3.96Å; N265-Y288 HydrophobicContact CB-CE2 3.85Å; N265-R336 PolarHBondContact OD1-NH1 2.86Å
266	F	92.3	Very high	88.1	Confident	44 Å²	44	48.1 Å²	48.1	19%	0.193	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-11.2	171.7	-84.2	-61.7	0	0	0	114.9	I262 L264 R285 Y288 F293	I262-F266 HydrophobicContact CG2-CD2 4.06Å; I262-F266 HydrophobicContact CG2-CE2 3.86Å; I262-F266 VanDerWaalsContact O-CD2 3.3Å; I262-F266 WeakPolarHBondContact O-CD2 3.41Å; I262-F266 PolarHBondContact O-N 3.36Å; I262-F266 VanDerWaalsContact O-N 3.15Å; L264-F266 VanDerWaalsContact C-N 3.28Å; L264-F266 PolarHBondContact O-N 3.25Å; F266-R285 HydrophobicContact CB-CG 4.49Å; F266-R285 HydrophobicContact CD1-CB 4.1Å; F266-R285 HydrophobicContact CD1-CG 3.85Å; F266-R285 HydrophobicContact CE1-CB 4.5Å; F266-R285 WeakPolarHBondContact O-CG 3.49Å; F266-Y288 AromaticContact CD1-CD1 3.57Å; F266-Y288 HydrophobicContact CD1-CD1 3.57Å; F266-Y288 HydrophobicContact CD1-CE1 4.18Å; F266-Y288 HydrophobicContact CD2-CD1 4.13Å; F266-Y288 AromaticContact CD2-CE1 3.89Å; F266-Y288 HydrophobicContact CD2-CE1 3.89Å; F266-Y288 AromaticContact CE1-CD1 3.59Å; F266-Y288 HydrophobicContact CE1-CD1 3.59Å; F266-Y288 HydrophobicContact CE1-CE1 4.15Å; F266-Y288 HydrophobicContact CE2-CD1 4.13Å; F266-Y288 AromaticContact CE2-CE1 3.83Å; F266-Y288 HydrophobicContact CE2-CE1 3.83Å; F266-Y288 AromaticContact CG-CD1 3.87Å; F266-Y288 HydrophobicContact CG-CD1 3.87Å; F266-Y288 HydrophobicContact CG-CE1 4.07Å; F266-Y288 AromaticContact CZ-CD1 3.87Å; F266-Y288 HydrophobicContact CZ-CD1 3.87Å; F266-Y288 AromaticContact CZ-CE1 3.97Å; F266-Y288 HydrophobicContact CZ-CE1 3.97Å; F266-F293 AromaticContact CE2-CD2 3.63Å; F266-F293 HydrophobicContact CE2-CD2 3.63Å; F266-F293 AromaticContact CE2-CE2 3.59Å; F266-F293 HydrophobicContact CE2-CE2 3.59Å; F266-F293 HydrophobicContact CE2-CZ 4.47Å; F266-F293 AromaticContact CZ-CD2 3.45Å; F266-F293 HydrophobicContact CZ-CD2 3.45Å; F266-F293 VanDerWaalsContact CZ-CD2 3.45Å; F266-F293 AromaticContact CZ-CE2 3.61Å; F266-F293 HydrophobicContact CZ-CE2 3.61Å; F266-F293 AromaticContact CZ-CG 3.96Å; F266-F293 HydrophobicContact CZ-CG 3.96Å; F266-F293 HydrophobicContact CZ-CZ 4.22Å
267	H	92.4	Very high	87.8	Confident	48 Å²	48	45.9 Å²	45.9	22%	0.222	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121	3.4	-178.2	-67.6	94.6	0	0	0	113.5	H205 I206 I207 V263 L264 N265 R285	H205-H267 PolarHBondContact O-CD2 3.32Å; H205-H267 VanDerWaalsContact O-CD2 3.27Å; I206-H267 CarbonylContact C-O 3.52Å; I206-H267 WeakPolarHBondContact CA-O 3.32Å; I207-H267 PolarHBondContact N-O 2.87Å; V263-H267 PolarHBondContact O-ND1 3.48Å; L264-H267 CarbonylContact O-C 3.51Å; L264-H267 WeakPolarHBondContact O-CA 3.44Å; L264-H267 PolarHBondContact O-N 3.03Å; N265-H267 PolarHBondContact O-N 2.96Å; H267-R285 PolarHBondContact NE2-NH2 2.94Å
268	T	91.4	Very high	87.5	Confident	16 Å²	16	45 Å²	45	10%	0.098	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-96.1	134.5	178.8	52.5	0	0	0	0	112.4	I207 K214 L264 N265 I284	I207-T268 HydrophobicContact CB-CG2 4.03Å; I207-T268 HydrophobicContact CG2-CG2 4.31Å; I207-T268 VanDerWaalsContact O-CA 3.3Å; I207-T268 WeakPolarHBondContact O-CA 3.41Å; K214-T268 HydrophobicContact CD-CG2 3.86Å; K214-T268 HydrophobicContact CG-CG2 4.46Å; L264-T268 VanDerWaalsContact O-CG2 3.22Å; L264-T268 WeakPolarHBondContact O-CG2 3.41Å; L264-T268 PolarHBondContact O-N 3.27Å; N265-T268 WeakPolarHBondContact CA-OG1 3.33Å; N265-T268 PolarHBondContact O-N 3.48Å; N265-T268 PolarHBondContact O-OG1 3.23Å; T268-I284 VanDerWaalsContact O-CG2 3.26Å; T268-I284 WeakPolarHBondContact O-CG2 3.37Å
269	T	90.6	Very high	87.1	Confident	4 Å²	4	47.3 Å²	47.3	3%	0.025	28%	0.277	C	S	.	.			trans	-56.1	154.6	170.3	61.4	0	0	0	0	111.5	T202 I206 I207 L208 H209 V277 I278	T202-T269 HydrophobicContact CG2-CG2 4.2Å; I206-T269 HydrophobicContact CG2-CG2 3.64Å; I207-T269 PolarHBondContact O-N 2.96Å; L208-T269 HydrophobicContact CD2-CG2 4.15Å; H209-T269 PolarHBondContact N-OG1 3.11Å; H209-T269 PolarHBondContact ND1-OG1 2.88Å; T269-V277 HydrophobicContact CG2-CG1 4.18Å; T269-I278 WeakPolarHBondContact CA-O 3.48Å; T269-I278 WeakPolarHBondContact CB-O 3.49Å
270	F	87.1	Confident	86.9	Confident	50 Å²	50	46.9 Å²	46.9	22%	0.219	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	162	165.9	71	-82.3	0	0	0	111.2	I278 L283 I284 N287	F270-I278 HydrophobicContact CD1-CB 4.3Å; F270-I278 HydrophobicContact CD1-CG2 4.33Å; F270-I278 HydrophobicContact CD2-CD1 4.41Å; F270-I278 HydrophobicContact CE1-CB 3.95Å; F270-I278 HydrophobicContact CE1-CD1 4.27Å; F270-I278 HydrophobicContact CE1-CG2 3.64Å; F270-I278 HydrophobicContact CE2-CB 4.49Å; F270-I278 HydrophobicContact CE2-CD1 3.57Å; F270-I278 HydrophobicContact CZ-CB 4.05Å; F270-I278 HydrophobicContact CZ-CD1 3.48Å; F270-I278 VanDerWaalsContact CZ-CD1 3.48Å; F270-I278 HydrophobicContact CZ-CG1 4.35Å; F270-I278 HydrophobicContact CZ-CG2 3.93Å; F270-I278 PolarHBondContact O-N 3.01Å; F270-L283 HydrophobicContact CZ-CG 4.38Å; F270-I284 HydrophobicContact CD1-CG1 3.97Å; F270-I284 HydrophobicContact CE1-CG1 4.1Å; F270-N287 WeakPolarHBondContact CD2-ND2 3.28Å; F270-N287 HydrophobicContact CE1-CB 3.98Å; F270-N287 WeakPolarHBondContact CE2-ND2 3.39Å; F270-N287 HydrophobicContact CZ-CB 3.96Å; F270-N287 VanDerWaalsContact CZ-ND2 3.3Å; F270-N287 WeakPolarHBondContact CZ-ND2 3.4Å
271	V	86.6	Confident	86.7	Confident	58 Å²	58	44.4 Å²	44.4	35%	0.352	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	127	175.2	-173.2	0	0	0	0	108.5	H209 E276 V277	H209-V271 VanDerWaalsContact CE1-CG2 3.5Å; H209-V271 WeakPolarHBondContact CE1-CG2 3.33Å; H209-V271 WeakPolarHBondContact NE2-CG2 3.24Å; V271-E276 CarbonylContact C-O 3.59Å; V271-E276 WeakPolarHBondContact CA-O 3.22Å; V271-V277 HydrophobicContact CG2-CG2 4.43Å
272	G	81.4	Confident	86.6	Confident	7 Å²	7	52.3 Å²	52.3	7%	0.072	30%	0.301	C	S	.	.			trans	-75.4	167.4	175.4	0	0	0	0	0	112.5	A274 G275 E276	G272-A274 PolarHBondContact O-N 2.92Å; G272-A274 VanDerWaalsContact O-N 3.13Å; G272-G275 PolarHBondContact O-N 3.21Å; G272-E276 PolarHBondContact N-O 3.04Å
273	P	79.3	Confident	86.5	Confident	148 Å²	148	55.2 Å²	55.2	96%	0.961	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-20.8	178.1	26.8	-35	0	0	0	113.4	G275	P273-G275 VanDerWaalsContact C-N 3.29Å
274	A	75.2	Confident	86.4	Confident	74 Å²	74	51.6 Å²	51.6	61%	0.612	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	2.5	172.9	0	0	0	0	0	114.1	G272 E276	G272-A274 PolarHBondContact O-N 2.92Å; G272-A274 VanDerWaalsContact O-N 3.13Å; A274-E276 HydrophobicContact CB-CG 4.41Å; A274-E276 PolarHBondContact O-N 2.89Å
275	G	72.6	Confident	86.5	Confident	22 Å²	22	55.5 Å²	55.5	23%	0.227	31%	0.307	C	S	.	.	S	Bend	trans	79.1	-3.8	-176.9	0	0	0	0	0	115.2	G7 L8 G272 P273	G7-G275 CarbonylContact C-O 3.52Å; G7-G275 WeakPolarHBondContact CA-O 3.46Å; L8-G275 PolarHBondContact N-O 3.46Å; G272-G275 PolarHBondContact O-N 3.21Å; P273-G275 VanDerWaalsContact C-N 3.29Å
276	E	80.4	Confident	86.5	Confident	109 Å²	109	61 Å²	61	51%	0.509	33%	0.334	S	S	.	.			trans	-68.4	152.5	173	64.8	-175.8	173.1	0	0	112.5	V271 G272 A274 I278	V271-E276 CarbonylContact C-O 3.59Å; V271-E276 WeakPolarHBondContact CA-O 3.22Å; G272-E276 PolarHBondContact N-O 3.04Å; A274-E276 HydrophobicContact CB-CG 4.41Å; A274-E276 PolarHBondContact O-N 2.89Å; E276-I278 HydrophobicContact CG-CG1 4.42Å
277	V	84.6	Confident	86.4	Confident	33 Å²	33	61.6 Å²	61.6	20%	0.2	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	111.7	177.2	-179.6	0	0	0	0	110.4	R6 V9 T269 V271	R6-V277 WeakPolarHBondContact O-CG2 3.3Å; V9-V277 HydrophobicContact CG2-CB 3.99Å; V9-V277 HydrophobicContact CG2-CG2 3.34Å; T269-V277 HydrophobicContact CG2-CG1 4.18Å; V271-V277 HydrophobicContact CG2-CG2 4.43Å
278	I	86.1	Confident	86.3	Confident	25 Å²	25	60.1 Å²	60.1	13%	0.128	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	122.8	-176.8	-69.1	166.2	0	0	0	109.6	T269 F270 E276 L283 I284	T269-I278 WeakPolarHBondContact CA-O 3.48Å; T269-I278 WeakPolarHBondContact CB-O 3.49Å; F270-I278 HydrophobicContact CD1-CB 4.3Å; F270-I278 HydrophobicContact CD1-CG2 4.33Å; F270-I278 HydrophobicContact CD2-CD1 4.41Å; F270-I278 HydrophobicContact CE1-CB 3.95Å; F270-I278 HydrophobicContact CE1-CD1 4.27Å; F270-I278 HydrophobicContact CE1-CG2 3.64Å; F270-I278 HydrophobicContact CE2-CB 4.49Å; F270-I278 HydrophobicContact CE2-CD1 3.57Å; F270-I278 HydrophobicContact CZ-CB 4.05Å; F270-I278 HydrophobicContact CZ-CD1 3.48Å; F270-I278 VanDerWaalsContact CZ-CD1 3.48Å; F270-I278 HydrophobicContact CZ-CG1 4.35Å; F270-I278 HydrophobicContact CZ-CG2 3.93Å; F270-I278 PolarHBondContact O-N 3.01Å; E276-I278 HydrophobicContact CG-CG1 4.42Å; I278-L283 HydrophobicContact CD1-CD2 4.18Å; I278-L283 HydrophobicContact CG2-CB 4.15Å; I278-L283 HydrophobicContact CG2-CD2 3.72Å; I278-L283 HydrophobicContact CG2-CG 3.94Å; I278-I284 HydrophobicContact CG2-CG1 4.46Å
279	S	84.6	Confident	86.4	Confident	49 Å²	49	64 Å²	64	34%	0.343	35%	0.352	S	S	.	.			trans	-120.3	4.9	-175.3	56.7	0	0	0	0	114.3	I206 A281	I206-S279 WeakPolarHBondContact CD1-O 3.39Å; S279-A281 PolarHBondContact O-N 3.21Å
280	D	87.2	Confident	86.4	Confident	83 Å²	83	72.6 Å²	72.6	44%	0.444	39%	0.388	S	S	.	.			trans	-78.2	119.2	171.1	173.8	18.6	0	0	0	110.8	K282 L283 I284	D280-K282 PolarHBondContact O-N 3.31Å; D280-K282 PolarHBondContact OD1-N 2.95Å; D280-L283 HydrophobicContact CB-CB 4.15Å; D280-L283 PolarHBondContact O-N 3.38Å; D280-L283 PolarHBondContact OD2-N 3Å; D280-I284 WeakPolarHBondContact O-CD1 3.22Å; D280-I284 VanDerWaalsContact O-CG1 3.29Å; D280-I284 WeakPolarHBondContact O-CG1 3.38Å; D280-I284 PolarHBondContact O-N 3.4Å
281	A	88.6	Confident	86.4	Confident	28 Å²	28	73.4 Å²	73.4	23%	0.231	40%	0.397	C	S	.	.	H	α-helix	trans	-52.5	-37.8	175.1	0	0	0	0	0	113.1	I206 S279 R285	I206-A281 HydrophobicContact CD1-CB 4.08Å; S279-A281 PolarHBondContact O-N 3.21Å; A281-R285 VanDerWaalsContact O-CB 3.3Å; A281-R285 WeakPolarHBondContact O-CB 3.34Å; A281-R285 VanDerWaalsContact O-CD 3.27Å; A281-R285 WeakPolarHBondContact O-CD 3.36Å; A281-R285 WeakPolarHBondContact O-CG 3.37Å; A281-R285 PolarHBondContact O-N 3.39Å
282	K	90	Very high	86.5	Confident	169 Å²	169	74.7 Å²	74.7	74%	0.735	40%	0.396	S	S	*	.	H	α-helix	trans	-67.8	-47.2	-179.5	-66.4	179.9	178.6	178.2	0	110.9	D280 R285 M286	D280-K282 PolarHBondContact O-N 3.31Å; D280-K282 PolarHBondContact OD1-N 2.95Å; K282-R285 PolarHBondContact O-N 3.45Å; K282-M286 WeakPolarHBondContact O-CB 3.4Å; K282-M286 PolarHBondContact O-N 3.15Å
283	L	89.9	Confident	86.9	Confident	70 Å²	70	76.6 Å²	76.6	37%	0.366	40%	0.402	S	S	.	.	H	α-helix	trans	-67.4	-39.6	179.4	-171.6	52.5	0	0	0	112.4	F270 I278 D280 M286 N287	F270-L283 HydrophobicContact CZ-CG 4.38Å; I278-L283 HydrophobicContact CD1-CD2 4.18Å; I278-L283 HydrophobicContact CG2-CB 4.15Å; I278-L283 HydrophobicContact CG2-CD2 3.72Å; I278-L283 HydrophobicContact CG2-CG 3.94Å; D280-L283 HydrophobicContact CB-CB 4.15Å; D280-L283 PolarHBondContact O-N 3.38Å; D280-L283 PolarHBondContact OD2-N 3Å; L283-M286 HydrophobicContact CD1-CE 4.25Å; L283-N287 VanDerWaalsContact O-CB 3.23Å; L283-N287 WeakPolarHBondContact O-CB 3.48Å; L283-N287 PolarHBondContact O-N 3.44Å
284	I	91.6	Very high	87.5	Confident	4 Å²	4	74.4 Å²	74.4	2%	0.021	39%	0.386	C	S	.	.	H	α-helix	trans	-56.6	-54.6	171.3	-70.1	161.7	0	0	0	110.7	I206 T268 F270 I278 D280 M286 N287 Y288	I206-I284 HydrophobicContact CD1-CD1 3.96Å; I206-I284 HydrophobicContact CG2-CD1 4.39Å; T268-I284 VanDerWaalsContact O-CG2 3.26Å; T268-I284 WeakPolarHBondContact O-CG2 3.37Å; F270-I284 HydrophobicContact CD1-CG1 3.97Å; F270-I284 HydrophobicContact CE1-CG1 4.1Å; I278-I284 HydrophobicContact CG2-CG1 4.46Å; D280-I284 WeakPolarHBondContact O-CD1 3.22Å; D280-I284 VanDerWaalsContact O-CG1 3.29Å; D280-I284 WeakPolarHBondContact O-CG1 3.38Å; D280-I284 PolarHBondContact O-N 3.4Å; I284-M286 PolarHBondContact O-N 3.43Å; I284-N287 PolarHBondContact O-N 2.9Å; I284-Y288 PolarHBondContact O-N 3.2Å
285	R	93.2	Very high	88.1	Confident	111 Å²	111	74.1 Å²	74.1	42%	0.419	37%	0.374	S	S	.	.	H	α-helix	trans	-63.5	-42	-176.6	-69	166.8	179.4	-175.7	-0.7	111.9	F266 H267 A281 K282 L289	F266-R285 HydrophobicContact CB-CG 4.49Å; F266-R285 HydrophobicContact CD1-CB 4.1Å; F266-R285 HydrophobicContact CD1-CG 3.85Å; F266-R285 HydrophobicContact CE1-CB 4.5Å; F266-R285 WeakPolarHBondContact O-CG 3.49Å; H267-R285 PolarHBondContact NE2-NH2 2.94Å; A281-R285 VanDerWaalsContact O-CB 3.3Å; A281-R285 WeakPolarHBondContact O-CB 3.34Å; A281-R285 VanDerWaalsContact O-CD 3.27Å; A281-R285 WeakPolarHBondContact O-CD 3.36Å; A281-R285 WeakPolarHBondContact O-CG 3.37Å; A281-R285 PolarHBondContact O-N 3.39Å; K282-R285 PolarHBondContact O-N 3.45Å; R285-L289 WeakPolarHBondContact O-CB 3.08Å; R285-L289 PolarHBondContact O-N 2.82Å
286	M	90.8	Very high	88.9	Confident	130 Å²	130	73.2 Å²	73.2	64%	0.64	36%	0.364	S	S	*	.	H	α-helix	trans	-68.1	-38.6	178.1	-172.6	167.8	65.3	0	0	112.5	K282 L283 I284 K290	K282-M286 WeakPolarHBondContact O-CB 3.4Å; K282-M286 PolarHBondContact O-N 3.15Å; L283-M286 HydrophobicContact CD1-CE 4.25Å; I284-M286 PolarHBondContact O-N 3.43Å; M286-K290 WeakPolarHBondContact O-CB 3.38Å; M286-K290 PolarHBondContact O-N 2.67Å; M286-K290 VanDerWaalsContact O-N 3.09Å
287	N	90.1	Very high	89.4	Confident	56 Å²	56	71.4 Å²	71.4	30%	0.299	36%	0.357	S	S	.	.	H	α-helix	trans	-64.9	-47.9	175.6	-175	34	0	0	0	111.7	F270 L283 I284 K290 T291	F270-N287 WeakPolarHBondContact CD2-ND2 3.28Å; F270-N287 HydrophobicContact CE1-CB 3.98Å; F270-N287 WeakPolarHBondContact CE2-ND2 3.39Å; F270-N287 HydrophobicContact CZ-CB 3.96Å; F270-N287 VanDerWaalsContact CZ-ND2 3.3Å; F270-N287 WeakPolarHBondContact CZ-ND2 3.4Å; L283-N287 VanDerWaalsContact O-CB 3.23Å; L283-N287 WeakPolarHBondContact O-CB 3.48Å; L283-N287 PolarHBondContact O-N 3.44Å; I284-N287 PolarHBondContact O-N 2.9Å; N287-K290 PolarHBondContact O-N 2.89Å; N287-T291 WeakPolarHBondContact O-CB 3.48Å; N287-T291 WeakPolarHBondContact O-CG2 3.4Å; N287-T291 PolarHBondContact O-N 2.66Å; N287-T291 PolarHBondContact O-OG1 2.91Å
288	Y	91.6	Very high	89.5	Confident	16 Å²	16	73.5 Å²	73.5	6%	0.063	37%	0.367	C	S	.	.	H	α-helix	trans	-64.7	-40.6	178.2	178.7	-121.9	0	0	0	112.4	I262 N265 F266 I284 K290 T291 W292 F293 D296	I262-Y288 HydrophobicContact CG2-CE1 4.28Å; N265-Y288 HydrophobicContact CB-CD1 4.43Å; N265-Y288 HydrophobicContact CB-CD2 4.32Å; N265-Y288 HydrophobicContact CB-CE1 3.96Å; N265-Y288 HydrophobicContact CB-CE2 3.85Å; F266-Y288 AromaticContact CD1-CD1 3.57Å; F266-Y288 HydrophobicContact CD1-CD1 3.57Å; F266-Y288 HydrophobicContact CD1-CE1 4.18Å; F266-Y288 HydrophobicContact CD2-CD1 4.13Å; F266-Y288 AromaticContact CD2-CE1 3.89Å; F266-Y288 HydrophobicContact CD2-CE1 3.89Å; F266-Y288 AromaticContact CE1-CD1 3.59Å; F266-Y288 HydrophobicContact CE1-CD1 3.59Å; F266-Y288 HydrophobicContact CE1-CE1 4.15Å; F266-Y288 HydrophobicContact CE2-CD1 4.13Å; F266-Y288 AromaticContact CE2-CE1 3.83Å; F266-Y288 HydrophobicContact CE2-CE1 3.83Å; F266-Y288 AromaticContact CG-CD1 3.87Å; F266-Y288 HydrophobicContact CG-CD1 3.87Å; F266-Y288 HydrophobicContact CG-CE1 4.07Å; F266-Y288 AromaticContact CZ-CD1 3.87Å; F266-Y288 HydrophobicContact CZ-CD1 3.87Å; F266-Y288 AromaticContact CZ-CE1 3.97Å; F266-Y288 HydrophobicContact CZ-CE1 3.97Å; I284-Y288 PolarHBondContact O-N 3.2Å; Y288-K290 VanDerWaalsContact C-N 3.34Å; Y288-K290 PolarHBondContact O-N 2.72Å; Y288-T291 PolarHBondContact O-N 3.45Å; Y288-T291 PolarHBondContact O-OG1 3.44Å; Y288-W292 HydrophobicContact CD2-CB 4.12Å; Y288-W292 HydrophobicContact CE2-CB 3.93Å; Y288-W292 PolarHBondContact O-N 2.95Å; Y288-W292 VanDerWaalsContact O-N 3.07Å; Y288-F293 HydrophobicContact CD1-CB 4.21Å; Y288-F293 HydrophobicContact CE1-CB 4.11Å; Y288-F293 HydrophobicContact CE1-CD2 4.02Å; Y288-F293 WeakPolarHBondContact O-CB 3.43Å; Y288-F293 PolarHBondContact O-N 3.47Å; Y288-D296 WeakPolarHBondContact CE2-OD2 3.47Å; Y288-D296 WeakPolarHBondContact OH-CB 3.48Å; Y288-D296 PolarHBondContact OH-OD2 2.77Å
289	L	93.1	Very high	89.6	Confident	99 Å²	99	72.4 Å²	72.4	52%	0.518	36%	0.361	S	S	.	.	H	α-helix	trans	-63	-37.6	177	-169.6	145.4	0	0	0	112.6	R285 F293	R285-L289 WeakPolarHBondContact O-CB 3.08Å; R285-L289 PolarHBondContact O-N 2.82Å; L289-F293 HydrophobicContact CD1-CD1 4.36Å; L289-F293 HydrophobicContact CG-CD1 4.05Å
290	K	91.4	Very high	89.6	Confident	183 Å²	183	70.5 Å²	70.5	80%	0.796	35%	0.348	S	S	*	.	H	α-helix	trans	-72.9	-24.6	176.7	-176.9	174.5	177.7	-177.7	0	113.9	M286 N287 Y288	M286-K290 WeakPolarHBondContact O-CB 3.38Å; M286-K290 PolarHBondContact O-N 2.67Å; M286-K290 VanDerWaalsContact O-N 3.09Å; N287-K290 PolarHBondContact O-N 2.89Å; Y288-K290 VanDerWaalsContact C-N 3.34Å; Y288-K290 PolarHBondContact O-N 2.72Å
291	T	86.5	Confident	89.5	Confident	67 Å²	67	69.5 Å²	69.5	41%	0.411	34%	0.342	S	S	.	.	H	α-helix	trans	-109.8	-58.9	-166.2	51.7	0	0	0	0	114.3	N287 Y288	N287-T291 WeakPolarHBondContact O-CB 3.48Å; N287-T291 WeakPolarHBondContact O-CG2 3.4Å; N287-T291 PolarHBondContact O-N 2.66Å; N287-T291 PolarHBondContact O-OG1 2.91Å; Y288-T291 PolarHBondContact O-N 3.45Å; Y288-T291 PolarHBondContact O-OG1 3.44Å
292	W	87.5	Confident	89.1	Confident	86 Å²	86	70.3 Å²	70.3	33%	0.326	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.1	-20.6	-167.3	-69.7	96.9	0	0	0	114.4	Y288 V294 I295 D296 R336	Y288-W292 HydrophobicContact CD2-CB 4.12Å; Y288-W292 HydrophobicContact CE2-CB 3.93Å; Y288-W292 PolarHBondContact O-N 2.95Å; Y288-W292 VanDerWaalsContact O-N 3.07Å; W292-V294 VanDerWaalsContact C-N 3.32Å; W292-V294 PolarHBondContact O-N 3.5Å; W292-I295 HydrophobicContact CE3-CD1 4.14Å; W292-I295 HydrophobicContact CZ3-CD1 4.25Å; W292-I295 PolarHBondContact O-N 2.99Å; W292-D296 WeakPolarHBondContact O-CB 3.3Å; W292-D296 PolarHBondContact O-N 3.17Å; W292-R336 HydrophobicContact CD2-CG 4.11Å; W292-R336 HydrophobicContact CH2-CG 4.21Å; W292-R336 HydrophobicContact CZ2-CG 3.78Å
293	F	91.3	Very high	88.5	Confident	46 Å²	46	63.1 Å²	63.1	20%	0.202	31%	0.314	C	S	.	.	H	α-helix	trans	-52.7	-43.3	-175.1	172.9	-116.4	0	0	0	114.1	I262 F266 Y288 L289 I295 D296 L297	I262-F293 HydrophobicContact CG2-CD2 4.21Å; I262-F293 HydrophobicContact CG2-CE2 4.15Å; F266-F293 AromaticContact CE2-CD2 3.63Å; F266-F293 HydrophobicContact CE2-CD2 3.63Å; F266-F293 AromaticContact CE2-CE2 3.59Å; F266-F293 HydrophobicContact CE2-CE2 3.59Å; F266-F293 HydrophobicContact CE2-CZ 4.47Å; F266-F293 AromaticContact CZ-CD2 3.45Å; F266-F293 HydrophobicContact CZ-CD2 3.45Å; F266-F293 VanDerWaalsContact CZ-CD2 3.45Å; F266-F293 AromaticContact CZ-CE2 3.61Å; F266-F293 HydrophobicContact CZ-CE2 3.61Å; F266-F293 AromaticContact CZ-CG 3.96Å; F266-F293 HydrophobicContact CZ-CG 3.96Å; F266-F293 HydrophobicContact CZ-CZ 4.22Å; Y288-F293 HydrophobicContact CD1-CB 4.21Å; Y288-F293 HydrophobicContact CE1-CB 4.11Å; Y288-F293 HydrophobicContact CE1-CD2 4.02Å; Y288-F293 WeakPolarHBondContact O-CB 3.43Å; Y288-F293 PolarHBondContact O-N 3.47Å; L289-F293 HydrophobicContact CD1-CD1 4.36Å; L289-F293 HydrophobicContact CG-CD1 4.05Å; F293-I295 PolarHBondContact O-N 2.86Å; F293-D296 PolarHBondContact O-N 3.44Å; F293-L297 HydrophobicContact CE1-CD2 4.19Å; F293-L297 HydrophobicContact CE2-CB 4.24Å; F293-L297 HydrophobicContact CE2-CD2 4.38Å; F293-L297 HydrophobicContact CZ-CB 4.46Å; F293-L297 HydrophobicContact CZ-CD2 3.82Å; F293-L297 WeakPolarHBondContact O-CB 3.12Å; F293-L297 PolarHBondContact O-N 3.32Å
294	V	90.4	Very high	87.7	Confident	103 Å²	103	60.6 Å²	60.6	62%	0.624	30%	0.3	S	S	*	.	H	α-helix	trans	-64.5	-42.8	-177.5	-178	0	0	0	0	111.5	W292 L298	W292-V294 VanDerWaalsContact C-N 3.32Å; W292-V294 PolarHBondContact O-N 3.5Å; V294-L298 WeakPolarHBondContact O-CB 3.33Å; V294-L298 PolarHBondContact O-N 2.98Å
295	I	88.7	Confident	86.9	Confident	67 Å²	67	63.4 Å²	63.4	34%	0.344	32%	0.315	S	S	.	.	H	α-helix	trans	-68	-47.8	177.4	-57	172	0	0	0	109.6	W292 F293 L297 L298 S299 L329	W292-I295 HydrophobicContact CE3-CD1 4.14Å; W292-I295 HydrophobicContact CZ3-CD1 4.25Å; W292-I295 PolarHBondContact O-N 2.99Å; F293-I295 PolarHBondContact O-N 2.86Å; I295-L297 PolarHBondContact O-N 3.07Å; I295-L298 PolarHBondContact O-N 2.88Å; I295-S299 VanDerWaalsContact O-CB 3.25Å; I295-S299 WeakPolarHBondContact O-CB 3.27Å; I295-S299 PolarHBondContact O-N 3.33Å; I295-S299 PolarHBondContact O-OG 3.07Å; I295-L329 HydrophobicContact CG2-CB 4.05Å; I295-L329 HydrophobicContact CG2-CD1 4.43Å
296	D	89.8	Confident	85.9	Confident	3 Å²	3	61.5 Å²	61.5	2%	0.016	31%	0.312	C	S	.	.	H	α-helix	trans	-58.1	-46.3	178.9	-85.7	15.3	0	0	0	111.4	I262 Y288 W292 F293 S299 C300 R333 R336	I262-D296 HydrophobicContact CD1-CB 4.19Å; I262-D296 HydrophobicContact CG1-CB 4.12Å; Y288-D296 WeakPolarHBondContact CE2-OD2 3.47Å; Y288-D296 WeakPolarHBondContact OH-CB 3.48Å; Y288-D296 PolarHBondContact OH-OD2 2.77Å; W292-D296 WeakPolarHBondContact O-CB 3.3Å; W292-D296 PolarHBondContact O-N 3.17Å; F293-D296 PolarHBondContact O-N 3.44Å; D296-S299 PolarHBondContact O-N 2.85Å; D296-S299 PolarHBondContact O-OG 3.2Å; D296-C300 PolarHBondContact O-N 3.42Å; D296-R333 VanDerWaalsContact CB-NH2 3.33Å; D296-R333 VanDerWaalsContact CG-CZ 3.42Å; D296-R333 VanDerWaalsContact CG-NH1 3.26Å; D296-R333 PolarHBondContact O-NH2 2.81Å; D296-R333 IonicContact OD1-CZ 2.67Å; D296-R333 IonicContact OD1-NH1 2.72Å; D296-R333 IonicContact OD1-NH2 2.66Å; D296-R333 PolarHBondContact OD1-NH2 2.89Å; D296-R333 IonicContact OD2-CZ 3.92Å; D296-R333 IonicContact OD2-NH1 3.1Å; D296-R333 PolarHBondContact OD2-NH1 3.27Å; D296-R333 IonicContact OD2-NH2 2.89Å; D296-R336 IonicContact OD1-CZ 2.7Å; D296-R336 IonicContact OD1-NH2 2.78Å; D296-R336 PolarHBondContact OD1-NH2 3.26Å; D296-R336 IonicContact OD2-CZ 3.17Å; D296-R336 IonicContact OD2-NH2 3.55Å; D296-R336 PolarHBondContact OD2-NH2 3.32Å
297	L	90	Very high	84.9	Confident	71 Å²	71	58.2 Å²	58.2	37%	0.372	30%	0.297	S	S	.	.	H	α-helix	trans	-64.9	-51.9	178.9	177.6	66.2	0	0	0	111.8	F293 I295 S299 C300	F293-L297 HydrophobicContact CE1-CD2 4.19Å; F293-L297 HydrophobicContact CE2-CB 4.24Å; F293-L297 HydrophobicContact CE2-CD2 4.38Å; F293-L297 HydrophobicContact CZ-CB 4.46Å; F293-L297 HydrophobicContact CZ-CD2 3.82Å; F293-L297 WeakPolarHBondContact O-CB 3.12Å; F293-L297 PolarHBondContact O-N 3.32Å; I295-L297 PolarHBondContact O-N 3.07Å; L297-S299 PolarHBondContact O-N 2.89Å; L297-C300 PolarHBondContact O-N 2.99Å; L297-C300 PolarHBondContact O-SG 3.01Å
298	L	88	Confident	83.8	Confident	78 Å²	78	58.9 Å²	58.9	41%	0.408	31%	0.311	S	S	.	.	H	α-helix	trans	-57.8	-37	178.4	-163.5	80.6	0	0	0	110.7	V294 I295 C300 I326 L329	V294-L298 WeakPolarHBondContact O-CB 3.33Å; V294-L298 PolarHBondContact O-N 2.98Å; I295-L298 PolarHBondContact O-N 2.88Å; L298-C300 VanDerWaalsContact C-N 3.3Å; L298-C300 PolarHBondContact O-N 2.83Å; L298-I326 HydrophobicContact CB-CG2 4.49Å; L298-I326 HydrophobicContact CD2-CG2 3.87Å; L298-I326 HydrophobicContact CG-CG2 3.8Å; L298-I326 WeakPolarHBondContact O-CG2 3.39Å; L298-L329 HydrophobicContact CD2-CD1 4.15Å
299	S	86.8	Confident	82.7	Confident	1 Å²	1	66.6 Å²	66.6	1%	0.007	35%	0.345	C	S	.	.	H	α-helix	trans	-69.8	-18.3	178.2	84	0	0	0	0	114.8	I295 D296 L297 R330	I295-S299 VanDerWaalsContact O-CB 3.25Å; I295-S299 WeakPolarHBondContact O-CB 3.27Å; I295-S299 PolarHBondContact O-N 3.33Å; I295-S299 PolarHBondContact O-OG 3.07Å; D296-S299 PolarHBondContact O-N 2.85Å; D296-S299 PolarHBondContact O-OG 3.2Å; L297-S299 PolarHBondContact O-N 2.89Å; S299-R330 PolarHBondContact O-NE 3.45Å; S299-R330 PolarHBondContact O-NH2 2.98Å
300	C	85.6	Confident	81.2	Confident	9 Å²	9	67.4 Å²	67.4	6%	0.061	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	0.9	-172.5	81.8	0	0	0	0	115.1	F258 I262 D296 L297 L298	F258-C300 HydrophobicContact CB-CB 4.38Å; I262-C300 HydrophobicContact CD1-CB 3.99Å; I262-C300 WeakPolarHBondContact CD1-SG 3.09Å; D296-C300 PolarHBondContact O-N 3.42Å; L297-C300 PolarHBondContact O-N 2.99Å; L297-C300 PolarHBondContact O-SG 3.01Å; L298-C300 VanDerWaalsContact C-N 3.3Å; L298-C300 PolarHBondContact O-N 2.83Å
301	L	84.1	Confident	79.8	Confident	63 Å²	63	67.2 Å²	67.2	33%	0.33	35%	0.354	S	S	.	.			trans	-66.6	127.1	-178.3	-67	174.1	0	0	0	111.4	Y303	L301-Y303 VanDerWaalsContact C-N 3.29Å; L301-Y303 HydrophobicContact CB-CD2 4.45Å; L301-Y303 HydrophobicContact CB-CE1 4.06Å; L301-Y303 HydrophobicContact CB-CE2 3.98Å; L301-Y303 HydrophobicContact CD1-CE1 4.25Å; L301-Y303 VanDerWaalsContact O-CD2 3.24Å; L301-Y303 WeakPolarHBondContact O-CD2 3.3Å; L301-Y303 PolarHBondContact O-N 3.26Å
302	P	81.3	Confident	78.4	Confident	45 Å²	45	66.2 Å²	66.2	29%	0.292	35%	0.347	S	S	.	.			trans	-83.9	69.9	-176.8	34.8	-36.4	0	0	0	111.2	D304 I305 I306	P302-D304 PolarHBondContact O-N 3.27Å; P302-D304 VanDerWaalsContact O-N 3.12Å; P302-I305 HydrophobicContact CB-CB 4.28Å; P302-I305 HydrophobicContact CB-CD1 3.91Å; P302-I305 HydrophobicContact CB-CG1 4.1Å; P302-I305 HydrophobicContact CG-CD1 4.46Å; P302-I305 PolarHBondContact O-N 2.86Å; P302-I306 PolarHBondContact O-N 3.34Å
303	Y	77.4	Confident	77.4	Confident	18 Å²	18	69.2 Å²	69.2	7%	0.071	37%	0.365	C	S	.	.	H	α-helix	trans	-53.3	-33.8	-177.2	-60.6	-71.8	0	0	0	113.6	L301 I305 I306 N307 L323 I326	L301-Y303 VanDerWaalsContact C-N 3.29Å; L301-Y303 HydrophobicContact CB-CD2 4.45Å; L301-Y303 HydrophobicContact CB-CE1 4.06Å; L301-Y303 HydrophobicContact CB-CE2 3.98Å; L301-Y303 HydrophobicContact CD1-CE1 4.25Å; L301-Y303 VanDerWaalsContact O-CD2 3.24Å; L301-Y303 WeakPolarHBondContact O-CD2 3.3Å; L301-Y303 PolarHBondContact O-N 3.26Å; Y303-I305 VanDerWaalsContact C-N 3.3Å; Y303-I305 PolarHBondContact O-N 2.91Å; Y303-I306 PolarHBondContact O-N 3.19Å; Y303-N307 WeakPolarHBondContact O-CB 3.44Å; Y303-N307 PolarHBondContact O-N 2.77Å; Y303-N307 VanDerWaalsContact O-N 3.07Å; Y303-L323 HydrophobicContact CD1-CB 4.32Å; Y303-L323 HydrophobicContact CD1-CD1 4.49Å; Y303-L323 HydrophobicContact CE1-CB 4.21Å; Y303-L323 HydrophobicContact CE1-CD1 4.23Å; Y303-L323 HydrophobicContact CE2-CB 4.48Å; Y303-L323 HydrophobicContact CG-CB 4.5Å; Y303-I326 HydrophobicContact CE2-CB 4.49Å
304	D	72.1	Confident	76	Confident	16 Å²	16	75.3 Å²	75.3	9%	0.086	39%	0.394	C	S	.	.	H	α-helix	trans	-60.1	-35.9	175.6	-66.4	-76.9	0	0	0	113.6	H242 L248 P302 A308 K324 R327	H242-D304 IonicContact NE2-OD1 3.61Å; L248-D304 HydrophobicContact CD1-CB 3.64Å; P302-D304 PolarHBondContact O-N 3.27Å; P302-D304 VanDerWaalsContact O-N 3.12Å; D304-A308 WeakPolarHBondContact O-CB 3.32Å; D304-A308 PolarHBondContact O-N 2.82Å; D304-K324 WeakPolarHBondContact OD1-CE 3.34Å; D304-K324 IonicContact OD1-NZ 3.39Å; D304-K324 PolarHBondContact OD1-NZ 2.91Å; D304-R327 IonicContact OD2-CZ 2.76Å; D304-R327 IonicContact OD2-NH1 3.92Å; D304-R327 PolarHBondContact OD2-NH1 2.9Å; D304-R327 IonicContact OD2-NH2 3.92Å; D304-R327 PolarHBondContact OD2-NH2 2.94Å
305	I	74.3	Confident	74.8	Confident	64 Å²	64	72.9 Å²	72.9	33%	0.328	39%	0.39	S	S	.	.	H	α-helix	trans	-76.9	-39.2	-178.6	-60.7	-177.1	0	0	0	110	P302 Y303 A308 F309	P302-I305 HydrophobicContact CB-CB 4.28Å; P302-I305 HydrophobicContact CB-CD1 3.91Å; P302-I305 HydrophobicContact CB-CG1 4.1Å; P302-I305 HydrophobicContact CG-CD1 4.46Å; P302-I305 PolarHBondContact O-N 2.86Å; Y303-I305 VanDerWaalsContact C-N 3.3Å; Y303-I305 PolarHBondContact O-N 2.91Å; I305-A308 PolarHBondContact O-N 2.82Å; I305-A308 VanDerWaalsContact O-N 3.12Å; I305-F309 HydrophobicContact CG2-CD2 3.72Å; I305-F309 HydrophobicContact CG2-CE2 3.52Å; I305-F309 WeakPolarHBondContact O-CD2 3.49Å; I305-F309 PolarHBondContact O-N 2.92Å
306	I	73.3	Confident	73.8	Confident	70 Å²	70	73.2 Å²	73.2	36%	0.359	39%	0.392	S	S	.	.	H	α-helix	trans	-59.1	-50	175.1	-58.6	173.2	0	0	0	109.5	P302 Y303 A308 F309 E310	P302-I306 PolarHBondContact O-N 3.34Å; Y303-I306 PolarHBondContact O-N 3.19Å; I306-A308 PolarHBondContact O-N 2.97Å; I306-A308 VanDerWaalsContact O-N 3.13Å; I306-F309 PolarHBondContact O-N 2.67Å; I306-E310 PolarHBondContact O-N 3.31Å
307	N	69.1	Low	72.7	Confident	61 Å²	61	75 Å²	75	33%	0.326	40%	0.404	S	S	.	.	H	α-helix	trans	-67	-9.6	177.8	-164.9	96.7	0	0	0	114.2	Y303 S317	Y303-N307 WeakPolarHBondContact O-CB 3.44Å; Y303-N307 PolarHBondContact O-N 2.77Å; Y303-N307 VanDerWaalsContact O-N 3.07Å; N307-S317 WeakPolarHBondContact OD1-CA 3.36Å; N307-S317 VanDerWaalsContact OD1-CB 3.25Å; N307-S317 WeakPolarHBondContact OD1-CB 3.48Å
308	A	68.1	Low	71.7	Confident	71 Å²	71	74.8 Å²	74.8	59%	0.587	41%	0.409	S	S	*	.	H	α-helix	trans	-98.9	-19.4	178.3	0	0	0	0	0	113.6	D304 I305 I306	D304-A308 WeakPolarHBondContact O-CB 3.32Å; D304-A308 PolarHBondContact O-N 2.82Å; I305-A308 PolarHBondContact O-N 2.82Å; I305-A308 VanDerWaalsContact O-N 3.12Å; I306-A308 PolarHBondContact O-N 2.97Å; I306-A308 VanDerWaalsContact O-N 3.13Å
309	F	67.1	Low	70.8	Confident	178 Å²	178	76.2 Å²	76.2	78%	0.781	42%	0.416	S	S	*	.	H	α-helix	trans	-98.5	-21.8	178.6	-78.8	-61.3	0	0	0	114.1	I305 I306	I305-F309 HydrophobicContact CG2-CD2 3.72Å; I305-F309 HydrophobicContact CG2-CE2 3.52Å; I305-F309 WeakPolarHBondContact O-CD2 3.49Å; I305-F309 PolarHBondContact O-N 2.92Å; I306-F309 PolarHBondContact O-N 2.67Å
310	E	61.9	Low	70.1	Confident	115 Å²	115	78.7 Å²	78.7	54%	0.537	43%	0.427	S	S	.	.	S	Bend	trans	-107.6	121.7	-172.8	-150.4	174.8	-137.4	0	0	110	I306 V312	I306-E310 PolarHBondContact O-N 3.31Å; E310-V312 HydrophobicContact CB-CG2 3.62Å; E310-V312 HydrophobicContact CG-CG2 3.64Å; E310-V312 WeakPolarHBondContact O-CG2 3.33Å; E310-V312 PolarHBondContact O-N 2.76Å; E310-V312 WeakPolarHBondContact OE2-CG2 3.5Å
311	N	62.1	Low	69.4	Low	179 Å²	179	80.7 Å²	80.7	96%	0.957	44%	0.441	S	S	*	.			trans	-78.5	60.2	-179.6	-70.5	-49.5	0	0	0	111.1
312	V	58	Low	68.9	Low	46 Å²	46	80.8 Å²	80.8	28%	0.279	45%	0.447	S	S	.	.			trans	-82.3	152.5	-173.6	-151.4	0	0	0	0	112	E310 L316	E310-V312 HydrophobicContact CB-CG2 3.62Å; E310-V312 HydrophobicContact CG-CG2 3.64Å; E310-V312 WeakPolarHBondContact O-CG2 3.33Å; E310-V312 PolarHBondContact O-N 2.76Å; E310-V312 WeakPolarHBondContact OE2-CG2 3.5Å; V312-L316 HydrophobicContact CB-CB 4.4Å; V312-L316 HydrophobicContact CG1-CB 3.56Å; V312-L316 HydrophobicContact CG1-CD1 3.43Å; V312-L316 VanDerWaalsContact CG1-CD1 3.43Å; V312-L316 HydrophobicContact CG1-CG 4.12Å
313	E	65.4	Low	68.8	Low	150 Å²	150	81.9 Å²	81.9	70%	0.701	45%	0.45	S	S	*	.			trans	-50.2	142.2	170.9	-58.5	179.4	159.5	0	0	112.7	G315 L316 S317	E313-G315 PolarHBondContact O-N 2.89Å; E313-G315 VanDerWaalsContact O-N 3.07Å; E313-L316 PolarHBondContact O-N 2.75Å; E313-S317 PolarHBondContact O-N 3.26Å
314	E	63.1	Low	68.9	Low	174 Å²	174	81.9 Å²	81.9	81%	0.813	45%	0.451	S	S	*	.	H	α-helix	trans	-55.5	-34.3	-172.8	-63.9	-173.8	125.5	0	0	113.2	L316 S317 S318	E314-L316 PolarHBondContact O-N 2.94Å; E314-S317 PolarHBondContact O-N 3.02Å; E314-S317 PolarHBondContact O-OG 3.08Å; E314-S318 PolarHBondContact O-N 2.91Å; E314-S318 VanDerWaalsContact O-N 3.1Å
315	G	64.3	Low	69.5	Low	52 Å²	52	84.6 Å²	84.6	54%	0.536	47%	0.468	S	S	.	.	H	α-helix	trans	-61.8	-41	176.3	0	0	0	0	0	113.7	E313 S318 L319	E313-G315 PolarHBondContact O-N 2.89Å; E313-G315 VanDerWaalsContact O-N 3.07Å; G315-S318 PolarHBondContact O-N 3.07Å; G315-L319 WeakPolarHBondContact O-CG 3.34Å; G315-L319 PolarHBondContact O-N 3.37Å
316	L	67.9	Low	70	Confident	74 Å²	74	83.4 Å²	83.4	39%	0.387	46%	0.462	S	S	.	.	H	α-helix	trans	-72.3	-36.4	177.3	-74.6	165.7	0	0	0	111.3	V312 E313 E314 S318 L319 F320	V312-L316 HydrophobicContact CB-CB 4.4Å; V312-L316 HydrophobicContact CG1-CB 3.56Å; V312-L316 HydrophobicContact CG1-CD1 3.43Å; V312-L316 VanDerWaalsContact CG1-CD1 3.43Å; V312-L316 HydrophobicContact CG1-CG 4.12Å; E313-L316 PolarHBondContact O-N 2.75Å; E314-L316 PolarHBondContact O-N 2.94Å; L316-S318 VanDerWaalsContact C-N 3.29Å; L316-S318 PolarHBondContact O-N 3.46Å; L316-L319 HydrophobicContact CD2-CD1 4.34Å; L316-L319 WeakPolarHBondContact O-CB 3.4Å; L316-L319 PolarHBondContact O-N 3.47Å; L316-L319 VanDerWaalsContact O-N 3.14Å; L316-F320 HydrophobicContact CB-CE2 4.47Å; L316-F320 WeakPolarHBondContact O-CD2 3.46Å; L316-F320 PolarHBondContact O-N 2.78Å
317	S	67.8	Low	70.6	Confident	39 Å²	39	80.5 Å²	80.5	27%	0.273	45%	0.446	S	S	.	.	H	α-helix	trans	-62.5	-35.9	175.3	78.7	0	0	0	0	113	N307 E313 E314 F320 S321	N307-S317 WeakPolarHBondContact OD1-CA 3.36Å; N307-S317 VanDerWaalsContact OD1-CB 3.25Å; N307-S317 WeakPolarHBondContact OD1-CB 3.48Å; E313-S317 PolarHBondContact O-N 3.26Å; E314-S317 PolarHBondContact O-N 3.02Å; E314-S317 PolarHBondContact O-OG 3.08Å; S317-F320 PolarHBondContact O-N 3.03Å; S317-S321 WeakPolarHBondContact O-CB 3.49Å; S317-S321 PolarHBondContact O-N 3.27Å
318	S	68.8	Low	71.4	Confident	67 Å²	67	79.3 Å²	79.3	47%	0.469	44%	0.44	S	S	.	.	H	α-helix	trans	-64.3	-40.6	173.3	-171.6	0	0	0	0	112	E314 G315 L316 S321 S322	E314-S318 PolarHBondContact O-N 2.91Å; E314-S318 VanDerWaalsContact O-N 3.1Å; G315-S318 PolarHBondContact O-N 3.07Å; L316-S318 VanDerWaalsContact C-N 3.29Å; L316-S318 PolarHBondContact O-N 3.46Å; S318-S321 PolarHBondContact O-N 3.44Å; S318-S322 PolarHBondContact O-N 3.01Å; S318-S322 PolarHBondContact O-OG 3.41Å
319	L	69.4	Low	72.3	Confident	108 Å²	108	79.9 Å²	79.9	57%	0.565	43%	0.432	S	S	*	.	H	α-helix	trans	-66.7	-44.6	175.2	-67	172	0	0	0	111.8	G315 L316 S321 S322 L323	G315-L319 WeakPolarHBondContact O-CG 3.34Å; G315-L319 PolarHBondContact O-N 3.37Å; L316-L319 HydrophobicContact CD2-CD1 4.34Å; L316-L319 WeakPolarHBondContact O-CB 3.4Å; L316-L319 PolarHBondContact O-N 3.47Å; L316-L319 VanDerWaalsContact O-N 3.14Å; L319-S321 VanDerWaalsContact C-N 3.33Å; L319-S321 PolarHBondContact O-N 2.71Å; L319-S322 WeakPolarHBondContact O-CA 3.5Å; L319-S322 WeakPolarHBondContact O-CB 3.19Å; L319-S322 PolarHBondContact O-N 2.86Å; L319-L323 WeakPolarHBondContact O-CG 3.23Å; L319-L323 PolarHBondContact O-N 3.28Å
320	F	71.9	Confident	73.1	Confident	54 Å²	54	71.4 Å²	71.4	24%	0.237	40%	0.395	C	S	.	.	H	α-helix	trans	-62.1	-38	174.1	-74.2	-62.3	0	0	0	112.7	L316 S317 S322 L323	L316-F320 HydrophobicContact CB-CE2 4.47Å; L316-F320 WeakPolarHBondContact O-CD2 3.46Å; L316-F320 PolarHBondContact O-N 2.78Å; S317-F320 PolarHBondContact O-N 3.03Å; F320-S322 PolarHBondContact O-N 2.88Å; F320-L323 HydrophobicContact CD1-CD1 3.95Å; F320-L323 HydrophobicContact CE1-CD1 4.39Å; F320-L323 PolarHBondContact O-N 2.84Å
321	S	70.4	Confident	74.2	Confident	51 Å²	51	68.2 Å²	68.2	36%	0.357	38%	0.381	S	S	.	.	H	α-helix	trans	-68.4	-22.8	172.4	-167.7	0	0	0	0	113.3	S317 S318 L319 K324	S317-S321 WeakPolarHBondContact O-CB 3.49Å; S317-S321 PolarHBondContact O-N 3.27Å; S318-S321 PolarHBondContact O-N 3.44Å; L319-S321 VanDerWaalsContact C-N 3.33Å; L319-S321 PolarHBondContact O-N 2.71Å; S321-K324 WeakPolarHBondContact O-CB 3.3Å; S321-K324 WeakPolarHBondContact O-CD 3.49Å; S321-K324 VanDerWaalsContact O-CG 3.28Å; S321-K324 WeakPolarHBondContact O-CG 3.42Å
322	S	73.6	Confident	75.1	Confident	65 Å²	65	60.7 Å²	60.7	46%	0.455	35%	0.346	S	S	.	.	H	α-helix	trans	-80.2	-32.8	174.8	-57.7	0	0	0	0	112.1	S318 L319 F320 K324 V325	S318-S322 PolarHBondContact O-N 3.01Å; S318-S322 PolarHBondContact O-OG 3.41Å; L319-S322 WeakPolarHBondContact O-CA 3.5Å; L319-S322 WeakPolarHBondContact O-CB 3.19Å; L319-S322 PolarHBondContact O-N 2.86Å; F320-S322 PolarHBondContact O-N 2.88Å; S322-K324 PolarHBondContact O-N 2.92Å; S322-K324 VanDerWaalsContact O-N 3.09Å; S322-V325 WeakPolarHBondContact O-CG2 3.4Å; S322-V325 PolarHBondContact O-N 2.9Å
323	L	78.7	Confident	76.2	Confident	67 Å²	67	58.8 Å²	58.8	35%	0.351	33%	0.334	S	S	.	.	H	α-helix	trans	-61.6	-15.5	174.1	-68.5	173.6	0	0	0	113.4	Y303 L319 F320 V325 I326	Y303-L323 HydrophobicContact CD1-CB 4.32Å; Y303-L323 HydrophobicContact CD1-CD1 4.49Å; Y303-L323 HydrophobicContact CE1-CB 4.21Å; Y303-L323 HydrophobicContact CE1-CD1 4.23Å; Y303-L323 HydrophobicContact CE2-CB 4.48Å; Y303-L323 HydrophobicContact CG-CB 4.5Å; L319-L323 WeakPolarHBondContact O-CG 3.23Å; L319-L323 PolarHBondContact O-N 3.28Å; F320-L323 HydrophobicContact CD1-CD1 3.95Å; F320-L323 HydrophobicContact CE1-CD1 4.39Å; F320-L323 PolarHBondContact O-N 2.84Å; L323-V325 PolarHBondContact O-N 2.91Å; L323-I326 HydrophobicContact CB-CD1 4.33Å; L323-I326 HydrophobicContact CD2-CD1 3.75Å; L323-I326 VanDerWaalsContact O-CB 3.23Å; L323-I326 WeakPolarHBondContact O-CB 3.27Å; L323-I326 WeakPolarHBondContact O-CG1 3.45Å; L323-I326 PolarHBondContact O-N 3.01Å
324	K	79.8	Confident	76.9	Confident	18 Å²	18	53 Å²	53	8%	0.078	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-50.6	-30.7	171.8	-67.5	-179	178.8	-172.5	0	113.4	V232 V236 H242 D304 S321 S322 I326 R327	V232-K324 HydrophobicContact CG1-CB 4.49Å; V232-K324 WeakPolarHBondContact CG1-O 3.31Å; V236-K324 HydrophobicContact CG2-CB 4.23Å; H242-K324 PolarHBondContact NE2-NZ 3.36Å; D304-K324 WeakPolarHBondContact OD1-CE 3.34Å; D304-K324 IonicContact OD1-NZ 3.39Å; D304-K324 PolarHBondContact OD1-NZ 2.91Å; S321-K324 WeakPolarHBondContact O-CB 3.3Å; S321-K324 WeakPolarHBondContact O-CD 3.49Å; S321-K324 VanDerWaalsContact O-CG 3.28Å; S321-K324 WeakPolarHBondContact O-CG 3.42Å; S322-K324 PolarHBondContact O-N 2.92Å; S322-K324 VanDerWaalsContact O-N 3.09Å; K324-I326 PolarHBondContact O-N 3.23Å; K324-I326 VanDerWaalsContact O-N 3.15Å; K324-R327 VanDerWaalsContact O-CB 3.28Å; K324-R327 WeakPolarHBondContact O-CB 3.34Å; K324-R327 WeakPolarHBondContact O-CG 3.26Å; K324-R327 PolarHBondContact O-N 3.46Å
325	V	83.8	Confident	77.4	Confident	74 Å²	74	47.5 Å²	47.5	45%	0.448	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-57.5	-27	177.1	178.6	0	0	0	0	112.4	V236 S322 L323 R327 L328	V236-V325 HydrophobicContact CG1-CG2 4.45Å; V236-V325 HydrophobicContact CG2-CG2 4.25Å; S322-V325 WeakPolarHBondContact O-CG2 3.4Å; S322-V325 PolarHBondContact O-N 2.9Å; L323-V325 PolarHBondContact O-N 2.91Å; V325-R327 PolarHBondContact O-N 3.23Å; V325-R327 VanDerWaalsContact O-N 3.16Å; V325-L328 HydrophobicContact CG1-CD1 4.2Å; V325-L328 VanDerWaalsContact O-CB 3.31Å; V325-L328 WeakPolarHBondContact O-CB 3.44Å; V325-L328 WeakPolarHBondContact O-CG 3.49Å; V325-L328 PolarHBondContact O-N 3.48Å
326	I	85.9	Confident	77.9	Confident	39 Å²	39	48.5 Å²	48.5	20%	0.2	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-59.4	-26.1	175.2	-64.5	175.8	0	0	0	112	L298 Y303 L323 K324 L328 L329	L298-I326 HydrophobicContact CB-CG2 4.49Å; L298-I326 HydrophobicContact CD2-CG2 3.87Å; L298-I326 HydrophobicContact CG-CG2 3.8Å; L298-I326 WeakPolarHBondContact O-CG2 3.39Å; Y303-I326 HydrophobicContact CE2-CB 4.49Å; L323-I326 HydrophobicContact CB-CD1 4.33Å; L323-I326 HydrophobicContact CD2-CD1 3.75Å; L323-I326 VanDerWaalsContact O-CB 3.23Å; L323-I326 WeakPolarHBondContact O-CB 3.27Å; L323-I326 WeakPolarHBondContact O-CG1 3.45Å; L323-I326 PolarHBondContact O-N 3.01Å; K324-I326 PolarHBondContact O-N 3.23Å; K324-I326 VanDerWaalsContact O-N 3.15Å; I326-L328 PolarHBondContact O-N 2.83Å; I326-L328 VanDerWaalsContact O-N 3.12Å; I326-L329 HydrophobicContact CG2-CD1 4.02Å; I326-L329 WeakPolarHBondContact O-CB 3.37Å; I326-L329 WeakPolarHBondContact O-CG 3.47Å; I326-L329 PolarHBondContact O-N 3.48Å
327	R	85.8	Confident	78.1	Confident	8 Å²	8	46.5 Å²	46.5	3%	0.03	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-59	-21.9	173	-66.4	-173	169	131.3	0.2	112.7	V232 D255 D304 K324 V325 L329 R330	V232-R327 HydrophobicContact CG2-CB 3.95Å; D255-R327 IonicContact OD1-NE 3.33Å; D255-R327 IonicContact OD2-CZ 3.89Å; D255-R327 IonicContact OD2-NE 2.63Å; D255-R327 PolarHBondContact OD2-NE 3.5Å; D255-R327 IonicContact OD2-NH2 2.85Å; D255-R327 PolarHBondContact OD2-NH2 2.96Å; D304-R327 IonicContact OD2-CZ 2.76Å; D304-R327 IonicContact OD2-NH1 3.92Å; D304-R327 PolarHBondContact OD2-NH1 2.9Å; D304-R327 IonicContact OD2-NH2 3.92Å; D304-R327 PolarHBondContact OD2-NH2 2.94Å; K324-R327 VanDerWaalsContact O-CB 3.28Å; K324-R327 WeakPolarHBondContact O-CB 3.34Å; K324-R327 WeakPolarHBondContact O-CG 3.26Å; K324-R327 PolarHBondContact O-N 3.46Å; V325-R327 PolarHBondContact O-N 3.23Å; V325-R327 VanDerWaalsContact O-N 3.16Å; R327-L329 PolarHBondContact O-N 2.98Å; R327-R330 VanDerWaalsContact O-CB 3.24Å; R327-R330 WeakPolarHBondContact O-CB 3.49Å; R327-R330 WeakPolarHBondContact O-CD 3.35Å; R327-R330 WeakPolarHBondContact O-CG 3.43Å; R327-R330 PolarHBondContact O-N 3.32Å; R327-R330 VanDerWaalsContact O-N 3.14Å
328	L	85.9	Confident	78.4	Confident	37 Å²	37	47.9 Å²	47.9	19%	0.194	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-66.6	-19.6	174.2	-61.9	-178	0	0	0	113.3	V232 P233 V325 I326 R330 L331 W362	V232-L328 HydrophobicContact CB-CD2 4.35Å; V232-L328 HydrophobicContact CG1-CD2 4.44Å; V232-L328 HydrophobicContact CG1-CG 4.44Å; P233-L328 HydrophobicContact CG-CD1 4.43Å; P233-L328 HydrophobicContact CG-CD2 4.2Å; V325-L328 HydrophobicContact CG1-CD1 4.2Å; V325-L328 VanDerWaalsContact O-CB 3.31Å; V325-L328 WeakPolarHBondContact O-CB 3.44Å; V325-L328 WeakPolarHBondContact O-CG 3.49Å; V325-L328 PolarHBondContact O-N 3.48Å; I326-L328 PolarHBondContact O-N 2.83Å; I326-L328 VanDerWaalsContact O-N 3.12Å; L328-R330 PolarHBondContact O-N 3.27Å; L328-L331 HydrophobicContact CD2-CD1 4.44Å; L328-L331 WeakPolarHBondContact O-CD1 3.41Å; L328-L331 PolarHBondContact O-N 2.84Å; L328-W362 HydrophobicContact CD1-CZ2 4.25Å; L328-W362 HydrophobicContact CD2-CZ2 3.95Å
329	L	86.8	Confident	78.5	Confident	82 Å²	82	49.7 Å²	49.7	43%	0.429	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-60.7	-17.8	171.9	-63.2	179.3	0	0	0	112.7	I295 L298 I326 R327 L331 G332	I295-L329 HydrophobicContact CG2-CB 4.05Å; I295-L329 HydrophobicContact CG2-CD1 4.43Å; L298-L329 HydrophobicContact CD2-CD1 4.15Å; I326-L329 HydrophobicContact CG2-CD1 4.02Å; I326-L329 WeakPolarHBondContact O-CB 3.37Å; I326-L329 WeakPolarHBondContact O-CG 3.47Å; I326-L329 PolarHBondContact O-N 3.48Å; R327-L329 PolarHBondContact O-N 2.98Å; L329-L331 PolarHBondContact O-N 3.25Å; L329-L331 VanDerWaalsContact O-N 3.16Å; L329-G332 PolarHBondContact O-N 3.22Å
330	R	84.5	Confident	78.6	Confident	1 Å²	1	47.6 Å²	47.6	0%	0.004	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-58.1	-23.1	172.1	-63.6	173.5	-168.6	-172.1	4.7	112.8	T225 D255 F258 S299 R327 L328 G332 R333	T225-R330 HydrophobicContact CG2-CB 4.04Å; D255-R330 IonicContact OD1-CZ 3.59Å; D255-R330 IonicContact OD1-NH1 2.76Å; D255-R330 PolarHBondContact OD1-NH1 3.23Å; D255-R330 IonicContact OD1-NH2 2.68Å; D255-R330 PolarHBondContact OD1-NH2 2.88Å; D255-R330 IonicContact OD2-NH2 3.59Å; F258-R330 HydrophobicContact CE1-CG 4.44Å; S299-R330 PolarHBondContact O-NE 3.45Å; S299-R330 PolarHBondContact O-NH2 2.98Å; R327-R330 VanDerWaalsContact O-CB 3.24Å; R327-R330 WeakPolarHBondContact O-CB 3.49Å; R327-R330 WeakPolarHBondContact O-CD 3.35Å; R327-R330 WeakPolarHBondContact O-CG 3.43Å; R327-R330 PolarHBondContact O-N 3.32Å; R327-R330 VanDerWaalsContact O-N 3.14Å; L328-R330 PolarHBondContact O-N 3.27Å; R330-G332 PolarHBondContact O-N 3.4Å; R330-R333 VanDerWaalsContact O-CB 3.3Å; R330-R333 WeakPolarHBondContact O-CB 3.31Å; R330-R333 WeakPolarHBondContact O-CG 3.49Å; R330-R333 PolarHBondContact O-N 3.43Å
331	L	83.6	Confident	78.6	Confident	47 Å²	47	45.8 Å²	45.8	25%	0.246	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-61.7	-22.5	172.5	-80.6	83	0	0	0	112.9	A229 L328 L329 R333 V334 L358 W362	A229-L331 HydrophobicContact CB-CD1 3.89Å; L328-L331 HydrophobicContact CD2-CD1 4.44Å; L328-L331 WeakPolarHBondContact O-CD1 3.41Å; L328-L331 PolarHBondContact O-N 2.84Å; L329-L331 PolarHBondContact O-N 3.25Å; L329-L331 VanDerWaalsContact O-N 3.16Å; L331-R333 PolarHBondContact O-N 3.44Å; L331-R333 VanDerWaalsContact O-N 3.15Å; L331-V334 VanDerWaalsContact O-CB 3.31Å; L331-V334 WeakPolarHBondContact O-CB 3.1Å; L331-V334 PolarHBondContact O-N 2.79Å; L331-L358 HydrophobicContact CD2-CD1 4.27Å; L331-L358 HydrophobicContact CD2-CD2 4.45Å; L331-W362 HydrophobicContact CD1-CH2 4.45Å; L331-W362 HydrophobicContact CD1-CZ2 4.17Å; L331-W362 HydrophobicContact CD2-CH2 3.8Å; L331-W362 HydrophobicContact CD2-CZ2 3.94Å
332	G	80.8	Confident	78.6	Confident	21 Å²	21	47.7 Å²	47.7	22%	0.216	26%	0.262	C	S	.	.	H	α-helix	trans	-58.6	-24.1	171.5	0	0	0	0	0	113.6	L329 R330 V334 A335 R336	L329-G332 PolarHBondContact O-N 3.22Å; R330-G332 PolarHBondContact O-N 3.4Å; G332-V334 VanDerWaalsContact C-N 3.27Å; G332-V334 PolarHBondContact O-N 3.49Å; G332-A335 PolarHBondContact O-N 3.18Å; G332-R336 PolarHBondContact O-N 3.15Å
333	R	80.9	Confident	78.5	Confident	7 Å²	7	48.5 Å²	48.5	3%	0.026	26%	0.259	C	S	.	.	H	α-helix	trans	-67.2	-26.7	172.1	-55.8	-174	-170.3	-87.6	-12.6	112.7	T225 D261 D296 R330 L331	T225-R333 HydrophobicContact CG2-CB 4.47Å; D261-R333 IonicContact OD2-CZ 2.68Å; D261-R333 IonicContact OD2-NH1 2.72Å; D261-R333 PolarHBondContact OD2-NH1 3.15Å; D296-R333 VanDerWaalsContact CB-NH2 3.33Å; D296-R333 VanDerWaalsContact CG-CZ 3.42Å; D296-R333 VanDerWaalsContact CG-NH1 3.26Å; D296-R333 PolarHBondContact O-NH2 2.81Å; D296-R333 IonicContact OD1-CZ 2.67Å; D296-R333 IonicContact OD1-NH1 2.72Å; D296-R333 IonicContact OD1-NH2 2.66Å; D296-R333 PolarHBondContact OD1-NH2 2.89Å; D296-R333 IonicContact OD2-CZ 3.92Å; D296-R333 IonicContact OD2-NH1 3.1Å; D296-R333 PolarHBondContact OD2-NH1 3.27Å; D296-R333 IonicContact OD2-NH2 2.89Å; R330-R333 VanDerWaalsContact O-CB 3.3Å; R330-R333 WeakPolarHBondContact O-CB 3.31Å; R330-R333 WeakPolarHBondContact O-CG 3.49Å; R330-R333 PolarHBondContact O-N 3.43Å; L331-R333 PolarHBondContact O-N 3.44Å; L331-R333 VanDerWaalsContact O-N 3.15Å
334	V	81	Confident	78.5	Confident	28 Å²	28	50.1 Å²	50.1	17%	0.17	26%	0.261	C	S	.	.	H	α-helix	trans	-74.6	-41.7	176.6	-171.2	0	0	0	0	110.4	L222 L331 G332 R336 K337 L338 L351	L222-V334 HydrophobicContact CD1-CB 4.43Å; L222-V334 HydrophobicContact CD1-CG1 3.98Å; L222-V334 HydrophobicContact CD1-CG2 3.74Å; L331-V334 VanDerWaalsContact O-CB 3.31Å; L331-V334 WeakPolarHBondContact O-CB 3.1Å; L331-V334 PolarHBondContact O-N 2.79Å; G332-V334 VanDerWaalsContact C-N 3.27Å; G332-V334 PolarHBondContact O-N 3.49Å; V334-R336 VanDerWaalsContact C-N 3.28Å; V334-R336 PolarHBondContact O-N 3.32Å; V334-K337 CarbonylContact O-C 3.4Å; V334-K337 WeakPolarHBondContact O-CA 3.49Å; V334-K337 PolarHBondContact O-N 2.74Å; V334-L338 PolarHBondContact O-N 3.16Å; V334-L351 HydrophobicContact CG1-CD1 4.48Å
335	A	74.7	Confident	78.3	Confident	59 Å²	59	50.2 Å²	50.2	49%	0.488	27%	0.267	S	S	.	.	H	α-helix	trans	-56.7	-42	173.9	0	0	0	0	0	111.7	G332 K337 L338	G332-A335 PolarHBondContact O-N 3.18Å; A335-K337 PolarHBondContact O-N 2.83Å; A335-L338 WeakPolarHBondContact O-CB 3.4Å; A335-L338 PolarHBondContact O-N 3.42Å; A335-L338 VanDerWaalsContact O-N 3.14Å
336	R	73.3	Confident	78.1	Confident	73 Å²	73	50.3 Å²	50.3	28%	0.275	28%	0.275	S	S	.	.	H	α-helix	trans	-59.9	-11.6	172.9	-73	-164.1	-86.1	149.2	-14.8	115.3	N265 W292 D296 G332 V334	N265-R336 PolarHBondContact OD1-NH1 2.86Å; W292-R336 HydrophobicContact CD2-CG 4.11Å; W292-R336 HydrophobicContact CH2-CG 4.21Å; W292-R336 HydrophobicContact CZ2-CG 3.78Å; D296-R336 IonicContact OD1-CZ 2.7Å; D296-R336 IonicContact OD1-NH2 2.78Å; D296-R336 PolarHBondContact OD1-NH2 3.26Å; D296-R336 IonicContact OD2-CZ 3.17Å; D296-R336 IonicContact OD2-NH2 3.55Å; D296-R336 PolarHBondContact OD2-NH2 3.32Å; G332-R336 PolarHBondContact O-N 3.15Å; V334-R336 VanDerWaalsContact C-N 3.28Å; V334-R336 PolarHBondContact O-N 3.32Å
337	K	72.1	Confident	77.9	Confident	32 Å²	32	50.1 Å²	50.1	14%	0.139	28%	0.28	C	S	.	.	H	α-helix	trans	-118.9	-3.4	177.9	-59	-171.9	-166.8	-54.7	0	113.4	D218 V334 A335 D339 H340 Y341	D218-K337 HydrophobicContact CB-CD 4.16Å; D218-K337 WeakPolarHBondContact OD1-CE 3.48Å; D218-K337 IonicContact OD1-NZ 3.45Å; D218-K337 PolarHBondContact OD1-NZ 2.85Å; D218-K337 IonicContact OD2-NZ 3.67Å; D218-K337 PolarHBondContact OD2-NZ 3.05Å; V334-K337 CarbonylContact O-C 3.4Å; V334-K337 WeakPolarHBondContact O-CA 3.49Å; V334-K337 PolarHBondContact O-N 2.74Å; A335-K337 PolarHBondContact O-N 2.83Å; K337-D339 VanDerWaalsContact C-N 3.26Å; K337-D339 PolarHBondContact O-N 3.38Å; K337-H340 WeakPolarHBondContact O-CB 3.49Å; K337-H340 PolarHBondContact O-N 2.91Å; K337-Y341 HydrophobicContact CB-CD2 4.21Å; K337-Y341 HydrophobicContact CB-CE2 3.64Å; K337-Y341 HydrophobicContact CD-CE2 4.49Å; K337-Y341 WeakPolarHBondContact O-CD2 3.25Å; K337-Y341 PolarHBondContact O-N 3.34Å
338	L	74.8	Confident	77.8	Confident	67 Å²	67	50.7 Å²	50.7	35%	0.351	28%	0.284	S	S	.	.	H	α-helix	trans	-55.9	-43.6	-175.6	-175.8	60.2	0	0	0	110.9	V334 A335 H340 Y341 L342 L351	V334-L338 PolarHBondContact O-N 3.16Å; A335-L338 WeakPolarHBondContact O-CB 3.4Å; A335-L338 PolarHBondContact O-N 3.42Å; A335-L338 VanDerWaalsContact O-N 3.14Å; L338-H340 PolarHBondContact O-N 2.99Å; L338-H340 VanDerWaalsContact O-N 3.11Å; L338-Y341 PolarHBondContact O-N 2.84Å; L338-L342 HydrophobicContact CD1-CD1 4.49Å; L338-L342 HydrophobicContact CD1-CD2 4.38Å; L338-L342 HydrophobicContact CD1-CG 4.12Å; L338-L342 HydrophobicContact CD2-CD1 4.45Å; L338-L342 HydrophobicContact CG-CD1 3.87Å; L338-L342 HydrophobicContact CG-CG 4Å; L338-L342 WeakPolarHBondContact O-CB 3.22Å; L338-L342 WeakPolarHBondContact O-CG 3.29Å; L338-L342 PolarHBondContact O-N 3.33Å; L338-L351 HydrophobicContact CD1-CD2 3.63Å
339	D	70.9	Confident	77.7	Confident	106 Å²	106	51.6 Å²	51.6	57%	0.567	29%	0.289	S	S	*	.	H	α-helix	trans	-56.9	-26.1	176	-64.1	-16.3	0	0	0	114.7	K5 K337	K5-D339 PolarHBondContact NZ-O 2.91Å; K337-D339 VanDerWaalsContact C-N 3.26Å; K337-D339 PolarHBondContact O-N 3.38Å
340	H	71.9	Confident	77.7	Confident	64 Å²	64	52.1 Å²	52.1	30%	0.296	30%	0.295	S	S	.	.	H	α-helix	trans	-80.4	-37.6	175.9	-176.6	42.4	0	0	0	111.4	K337 L338	K337-H340 WeakPolarHBondContact O-CB 3.49Å; K337-H340 PolarHBondContact O-N 2.91Å; L338-H340 PolarHBondContact O-N 2.99Å; L338-H340 VanDerWaalsContact O-N 3.11Å
341	Y	71	Confident	77.8	Confident	16 Å²	16	54 Å²	54	6%	0.063	31%	0.305	C	S	.	.	H	α-helix	trans	-79.1	-28.4	179	-56.9	-50.6	0	0	0	113	W219 L222 K337 L338 E343 Y344 V348	W219-Y341 HydrophobicContact CH2-CD1 4.33Å; W219-Y341 AromaticContact CH2-CE1 3.64Å; W219-Y341 HydrophobicContact CH2-CE1 3.64Å; W219-Y341 HydrophobicContact CZ2-CD1 4.45Å; W219-Y341 AromaticContact CZ2-CE1 3.61Å; W219-Y341 HydrophobicContact CZ2-CE1 3.61Å; W219-Y341 HydrophobicContact CZ3-CE1 4.29Å; L222-Y341 HydrophobicContact CD2-CE2 3.92Å; K337-Y341 HydrophobicContact CB-CD2 4.21Å; K337-Y341 HydrophobicContact CB-CE2 3.64Å; K337-Y341 HydrophobicContact CD-CE2 4.49Å; K337-Y341 WeakPolarHBondContact O-CD2 3.25Å; K337-Y341 PolarHBondContact O-N 3.34Å; L338-Y341 PolarHBondContact O-N 2.84Å; Y341-E343 PolarHBondContact O-N 3.18Å; Y341-Y344 PolarHBondContact O-N 2.99Å; Y341-Y344 VanDerWaalsContact O-N 3.1Å; Y341-V348 WeakPolarHBondContact O-CG2 3.39Å
342	L	69.8	Low	77.9	Confident	91 Å²	91	53.2 Å²	53.2	48%	0.476	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-17.4	174.6	-74.4	176.3	0	0	0	114.2	L338 Y344 V348	L338-L342 HydrophobicContact CD1-CD1 4.49Å; L338-L342 HydrophobicContact CD1-CD2 4.38Å; L338-L342 HydrophobicContact CD1-CG 4.12Å; L338-L342 HydrophobicContact CD2-CD1 4.45Å; L338-L342 HydrophobicContact CG-CD1 3.87Å; L338-L342 HydrophobicContact CG-CG 4Å; L338-L342 WeakPolarHBondContact O-CB 3.22Å; L338-L342 WeakPolarHBondContact O-CG 3.29Å; L338-L342 PolarHBondContact O-N 3.33Å; L342-Y344 PolarHBondContact O-N 2.85Å; L342-V348 HydrophobicContact CD2-CG1 4.23Å; L342-V348 HydrophobicContact CD2-CG2 3.9Å
343	E	73.1	Confident	78.3	Confident	82 Å²	82	56.1 Å²	56.1	38%	0.383	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-20.1	172.8	-68.3	-176.1	-176	0	0	113.1	K5 Y341	K5-E343 WeakPolarHBondContact CD-OE1 3.43Å; K5-E343 WeakPolarHBondContact CE-OE1 3.41Å; K5-E343 IonicContact NZ-OE1 2.73Å; K5-E343 PolarHBondContact NZ-OE1 3.45Å; Y341-E343 PolarHBondContact O-N 3.18Å
344	Y	77.7	Confident	78.7	Confident	100 Å²	100	58 Å²	58	39%	0.392	33%	0.328	S	S	.	.			trans	-120.8	94.3	-171.4	-66.1	-80.9	0	0	0	110.6	H2 Y341 L342 A346 A347 V348	H2-Y344 PolarHBondContact CE1-OH 2.99Å; H2-Y344 AromaticContact NE2-CZ 3.96Å; H2-Y344 PolarHBondContact NE2-OH 3.16Å; Y341-Y344 PolarHBondContact O-N 2.99Å; Y341-Y344 VanDerWaalsContact O-N 3.1Å; L342-Y344 PolarHBondContact O-N 2.85Å; Y344-A346 PolarHBondContact O-N 3.42Å; Y344-A347 WeakPolarHBondContact O-CA 3.44Å; Y344-A347 WeakPolarHBondContact O-CB 3.37Å; Y344-A347 PolarHBondContact O-N 2.82Å; Y344-V348 PolarHBondContact O-N 3.39Å
345	G	76.8	Confident	79.1	Confident	21 Å²	21	59.3 Å²	59.3	22%	0.216	34%	0.336	C	S	.	.	H	α-helix	trans	-49.9	-39.3	-175.5	0	0	0	0	0	114.9	A347 V348 L349 I471	G345-A347 PolarHBondContact O-N 3.32Å; G345-V348 WeakPolarHBondContact O-CB 3.46Å; G345-V348 PolarHBondContact O-N 3.33Å; G345-L349 PolarHBondContact O-N 2.94Å; G345-I471 WeakPolarHBondContact O-CD1 3.45Å
346	A	79.4	Confident	80	Confident	75 Å²	75	57.7 Å²	57.7	62%	0.62	32%	0.318	S	S	*	.	H	α-helix	trans	-64.3	-35.2	174.3	0	0	0	0	0	113.6	Y344 L349 V350	Y344-A346 PolarHBondContact O-N 3.42Å; A346-L349 PolarHBondContact O-N 2.95Å; A346-V350 WeakPolarHBondContact O-CG2 3.26Å; A346-V350 PolarHBondContact O-N 2.77Å; A346-V350 VanDerWaalsContact O-N 3.16Å
347	A	81.7	Confident	80.9	Confident	35 Å²	35	55.9 Å²	55.9	29%	0.289	32%	0.322	S	S	.	.	H	α-helix	trans	-71.5	-34.1	173.7	0	0	0	0	0	111.7	Y344 G345 L349 V350 L351	Y344-A347 WeakPolarHBondContact O-CA 3.44Å; Y344-A347 WeakPolarHBondContact O-CB 3.37Å; Y344-A347 PolarHBondContact O-N 2.82Å; G345-A347 PolarHBondContact O-N 3.32Å; A347-L349 VanDerWaalsContact C-N 3.34Å; A347-V350 PolarHBondContact O-N 3.07Å; A347-L351 VanDerWaalsContact O-CB 3.28Å; A347-L351 WeakPolarHBondContact O-CB 3.47Å; A347-L351 PolarHBondContact O-N 2.85Å
348	V	83.5	Confident	81.9	Confident	21 Å²	21	55 Å²	55	13%	0.127	32%	0.319	C	S	.	.	H	α-helix	trans	-61.6	-42.5	172.2	-175.8	0	0	0	0	111	Y341 L342 Y344 G345 L351 L352	Y341-V348 WeakPolarHBondContact O-CG2 3.39Å; L342-V348 HydrophobicContact CD2-CG1 4.23Å; L342-V348 HydrophobicContact CD2-CG2 3.9Å; Y344-V348 PolarHBondContact O-N 3.39Å; G345-V348 WeakPolarHBondContact O-CB 3.46Å; G345-V348 PolarHBondContact O-N 3.33Å; V348-L351 PolarHBondContact O-N 2.66Å; V348-L352 VanDerWaalsContact O-CB 3.28Å; V348-L352 WeakPolarHBondContact O-CB 3.35Å; V348-L352 PolarHBondContact O-N 3.25Å
349	L	84.1	Confident	82.8	Confident	56 Å²	56	53 Å²	53	29%	0.293	31%	0.309	S	S	.	.	H	α-helix	trans	-60.7	-49.4	174.4	178.3	57	0	0	0	112	G345 A346 A347 L351 L352 V353 V468 I471	G345-L349 PolarHBondContact O-N 2.94Å; A346-L349 PolarHBondContact O-N 2.95Å; A347-L349 VanDerWaalsContact C-N 3.34Å; L349-L351 VanDerWaalsContact C-N 3.34Å; L349-L351 PolarHBondContact O-N 3.04Å; L349-L352 PolarHBondContact O-N 3.04Å; L349-V353 HydrophobicContact CD1-CG2 4.15Å; L349-V353 WeakPolarHBondContact O-CG2 3.36Å; L349-V353 PolarHBondContact O-N 3.5Å; L349-V468 HydrophobicContact CD1-CG2 3.52Å; L349-I471 HydrophobicContact CB-CD1 3.89Å
350	V	86.8	Confident	84	Confident	93 Å²	93	48 Å²	48	56%	0.564	28%	0.282	S	S	*	.	H	α-helix	trans	-60.3	-44.9	178.2	172.7	0	0	0	0	111	A346 A347 L352 V353 C354	A346-V350 WeakPolarHBondContact O-CG2 3.26Å; A346-V350 PolarHBondContact O-N 2.77Å; A346-V350 VanDerWaalsContact O-N 3.16Å; A347-V350 PolarHBondContact O-N 3.07Å; V350-L352 PolarHBondContact O-N 2.82Å; V350-V353 PolarHBondContact O-N 3.18Å; V350-C354 WeakPolarHBondContact O-CB 3.37Å; V350-C354 PolarHBondContact O-N 3.26Å; V350-C354 PolarHBondContact O-SG 3.48Å
351	L	84.9	Confident	85.1	Confident	41 Å²	41	45.3 Å²	45.3	22%	0.215	27%	0.27	C	S	.	.	H	α-helix	trans	-59.9	-44.9	176.5	178.1	60.6	0	0	0	111.6	V334 L338 A347 V348 L349 C354 V355	V334-L351 HydrophobicContact CG1-CD1 4.48Å; L338-L351 HydrophobicContact CD1-CD2 3.63Å; A347-L351 VanDerWaalsContact O-CB 3.28Å; A347-L351 WeakPolarHBondContact O-CB 3.47Å; A347-L351 PolarHBondContact O-N 2.85Å; V348-L351 PolarHBondContact O-N 2.66Å; L349-L351 VanDerWaalsContact C-N 3.34Å; L349-L351 PolarHBondContact O-N 3.04Å; L351-C354 WeakPolarHBondContact O-CB 3.48Å; L351-C354 PolarHBondContact O-N 3.23Å; L351-V355 HydrophobicContact CD1-CG2 4.47Å; L351-V355 WeakPolarHBondContact O-CG2 3.45Å; L351-V355 PolarHBondContact O-N 2.87Å
352	L	85.8	Confident	86.3	Confident	30 Å²	30	48 Å²	48	16%	0.157	28%	0.28	C	S	.	.	H	α-helix	trans	-69.3	-35.5	-178.4	-168.9	63.8	0	0	0	112.4	V348 L349 V350 V355 F356 I464 N467	V348-L352 VanDerWaalsContact O-CB 3.28Å; V348-L352 WeakPolarHBondContact O-CB 3.35Å; V348-L352 PolarHBondContact O-N 3.25Å; L349-L352 PolarHBondContact O-N 3.04Å; V350-L352 PolarHBondContact O-N 2.82Å; L352-V355 PolarHBondContact O-N 3.4Å; L352-F356 PolarHBondContact O-N 3.34Å; L352-I464 HydrophobicContact CD2-CB 4.37Å; L352-I464 HydrophobicContact CD2-CG1 3.91Å; L352-I464 HydrophobicContact CG-CG1 3.86Å; L352-N467 HydrophobicContact CD2-CB 3.84Å
353	V	89.9	Confident	87.5	Confident	81 Å²	81	44.8 Å²	44.8	49%	0.491	26%	0.263	S	S	.	.	H	α-helix	trans	-66.2	-39.5	170.5	171.5	0	0	0	0	111.3	L349 V350 F356 G357	L349-V353 HydrophobicContact CD1-CG2 4.15Å; L349-V353 WeakPolarHBondContact O-CG2 3.36Å; L349-V353 PolarHBondContact O-N 3.5Å; V350-V353 PolarHBondContact O-N 3.18Å; V353-F356 PolarHBondContact O-N 2.67Å; V353-G357 PolarHBondContact O-N 2.87Å
354	C	90.3	Very high	88.5	Confident	48 Å²	48	40.9 Å²	40.9	32%	0.324	25%	0.245	S	C	.	.	H	α-helix	trans	-64.9	-40.4	174.2	-66.2	0	0	0	0	111.9	F226 V350 L351 G357 L358	F226-C354 HydrophobicContact CE2-CB 4.01Å; F226-C354 HydrophobicContact CZ-CB 4.35Å; V350-C354 WeakPolarHBondContact O-CB 3.37Å; V350-C354 PolarHBondContact O-N 3.26Å; V350-C354 PolarHBondContact O-SG 3.48Å; L351-C354 WeakPolarHBondContact O-CB 3.48Å; L351-C354 PolarHBondContact O-N 3.23Å; C354-G357 PolarHBondContact O-N 2.68Å; C354-L358 WeakPolarHBondContact O-CB 3.49Å; C354-L358 PolarHBondContact O-N 2.72Å
355	V	89.6	Confident	89.3	Confident	55 Å²	55	36.1 Å²	36.1	33%	0.333	23%	0.227	S	C	.	.	H	α-helix	trans	-63.5	-41.3	173.5	168.9	0	0	0	0	111.2	L351 L352 L358 V359	L351-V355 HydrophobicContact CD1-CG2 4.47Å; L351-V355 WeakPolarHBondContact O-CG2 3.45Å; L351-V355 PolarHBondContact O-N 2.87Å; L352-V355 PolarHBondContact O-N 3.4Å; V355-L358 PolarHBondContact O-N 3.33Å; V355-V359 HydrophobicContact CG1-CG2 4.42Å; V355-V359 WeakPolarHBondContact O-CG2 3.41Å; V355-V359 PolarHBondContact O-N 3.04Å
356	F	92.1	Very high	90.1	Very high	25 Å²	25	38.9 Å²	38.9	11%	0.11	24%	0.236	C	C	.	.	H	α-helix	trans	-60.3	-49.6	175.5	-178.4	-100.7	0	0	0	112.2	L352 V353 L358 V359 A360 M428 L431 T432 I464	L352-F356 PolarHBondContact O-N 3.34Å; V353-F356 PolarHBondContact O-N 2.67Å; F356-L358 VanDerWaalsContact C-N 3.31Å; F356-L358 PolarHBondContact O-N 2.93Å; F356-V359 PolarHBondContact O-N 2.72Å; F356-A360 WeakPolarHBondContact O-CB 3.37Å; F356-A360 PolarHBondContact O-N 3.14Å; F356-M428 HydrophobicContact CE1-CE 4.03Å; F356-M428 HydrophobicContact CE1-SD 4.02Å; F356-L431 HydrophobicContact CE2-CB 3.91Å; F356-L431 HydrophobicContact CZ-CB 3.82Å; F356-T432 HydrophobicContact CE1-CG2 4.15Å; F356-T432 HydrophobicContact CZ-CG2 3.79Å; F356-I464 HydrophobicContact CB-CD1 3.83Å; F356-I464 HydrophobicContact CD2-CD1 3.39Å; F356-I464 HydrophobicContact CE2-CD1 4.11Å; F356-I464 HydrophobicContact CG-CD1 3.73Å
357	G	93.6	Very high	90.8	Very high	34 Å²	34	35.3 Å²	35.3	35%	0.351	21%	0.206	S	C	.	.	H	α-helix	trans	-63.2	-35.2	176.8	0	0	0	0	0	113.3	V353 C354 A360 H361	V353-G357 PolarHBondContact O-N 2.87Å; C354-G357 PolarHBondContact O-N 2.68Å; G357-A360 PolarHBondContact O-N 2.68Å; G357-H361 WeakPolarHBondContact O-CB 3.36Å; G357-H361 PolarHBondContact O-N 3.42Å
358	L	93.1	Very high	91.4	Very high	14 Å²	14	34.3 Å²	34.3	7%	0.073	20%	0.195	C	C	.	.	H	α-helix	trans	-68.9	-42.4	175.8	176.1	158.5	0	0	0	112.1	F226 A229 L331 C354 V355 F356 H361 W362	F226-L358 HydrophobicContact CD2-CD1 4.09Å; F226-L358 HydrophobicContact CE2-CB 4.36Å; F226-L358 HydrophobicContact CE2-CD1 4.07Å; A229-L358 HydrophobicContact CB-CD1 3.64Å; A229-L358 HydrophobicContact CB-CG 4.35Å; L331-L358 HydrophobicContact CD2-CD1 4.27Å; L331-L358 HydrophobicContact CD2-CD2 4.45Å; C354-L358 WeakPolarHBondContact O-CB 3.49Å; C354-L358 PolarHBondContact O-N 2.72Å; V355-L358 PolarHBondContact O-N 3.33Å; F356-L358 VanDerWaalsContact C-N 3.31Å; F356-L358 PolarHBondContact O-N 2.93Å; L358-H361 WeakPolarHBondContact O-CB 3.46Å; L358-H361 PolarHBondContact O-N 2.88Å; L358-W362 HydrophobicContact CD2-CD2 3.83Å; L358-W362 VanDerWaalsContact CD2-CE2 3.47Å; L358-W362 HydrophobicContact CD2-CE3 4.2Å; L358-W362 HydrophobicContact CD2-CG 4.43Å; L358-W362 HydrophobicContact CD2-CH2 4.02Å; L358-W362 HydrophobicContact CD2-CZ2 3.59Å; L358-W362 HydrophobicContact CD2-CZ3 4.29Å; L358-W362 HydrophobicContact CG-CZ2 4.35Å; L358-W362 VanDerWaalsContact O-CD1 3.27Å; L358-W362 PolarHBondContact O-N 2.85Å
359	V	93.9	Very high	91.7	Very high	26 Å²	26	36.1 Å²	36.1	16%	0.158	21%	0.208	C	C	.	.	H	α-helix	trans	-66.8	-39.5	173.7	171.6	0	0	0	0	111.2	V355 F356 H361 W362 L363 L460	V355-V359 HydrophobicContact CG1-CG2 4.42Å; V355-V359 WeakPolarHBondContact O-CG2 3.41Å; V355-V359 PolarHBondContact O-N 3.04Å; F356-V359 PolarHBondContact O-N 2.72Å; V359-H361 VanDerWaalsContact C-N 3.31Å; V359-H361 PolarHBondContact O-N 3.25Å; V359-W362 PolarHBondContact O-N 2.82Å; V359-L363 HydrophobicContact CG1-CD1 3.59Å; V359-L363 HydrophobicContact CG1-CG 4.28Å; V359-L363 WeakPolarHBondContact O-CB 3.4Å; V359-L363 WeakPolarHBondContact O-CG 3.5Å; V359-L363 PolarHBondContact O-N 2.8Å; V359-L460 HydrophobicContact CB-CD1 4.19Å; V359-L460 HydrophobicContact CG1-CD1 3.69Å; V359-L460 HydrophobicContact CG2-CD1 4.3Å
360	A	95.3	Very high	92	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60.3	-41.8	172.3	0	0	0	0	0	111.8	F356 G357 A364 L424 T427 M428 L431	F356-A360 WeakPolarHBondContact O-CB 3.37Å; F356-A360 PolarHBondContact O-N 3.14Å; G357-A360 PolarHBondContact O-N 2.68Å; A360-A364 WeakPolarHBondContact O-CB 3.22Å; A360-A364 PolarHBondContact O-N 3.36Å; A360-L424 HydrophobicContact CB-CD1 4.3Å; A360-T427 HydrophobicContact CB-CG2 4.38Å; A360-T427 VanDerWaalsContact O-CG2 3.3Å; A360-T427 WeakPolarHBondContact O-CG2 3.36Å; A360-M428 HydrophobicContact CB-CG 4.22Å; A360-M428 HydrophobicContact CB-SD 3.54Å; A360-M428 VanDerWaalsContact CB-SD 3.54Å; A360-L431 HydrophobicContact CB-CD1 3.6Å
361	H	95.5	Very high	92.2	Very high	7 Å²	7	30.6 Å²	30.6	3%	0.032	18%	0.176	C	C	.	.	H	α-helix	trans	-63.8	-44.2	174.7	173.3	58.9	0	0	0	112.8	I230 G357 L358 V359 A364 C365 Y420	I230-H361 PolarHBondContact O-NE2 2.81Å; G357-H361 WeakPolarHBondContact O-CB 3.36Å; G357-H361 PolarHBondContact O-N 3.42Å; L358-H361 WeakPolarHBondContact O-CB 3.46Å; L358-H361 PolarHBondContact O-N 2.88Å; V359-H361 VanDerWaalsContact C-N 3.31Å; V359-H361 PolarHBondContact O-N 3.25Å; H361-A364 PolarHBondContact O-N 2.94Å; H361-C365 PolarHBondContact CE1-SG 3.29Å; H361-C365 PolarHBondContact O-N 2.94Å; H361-C365 PolarHBondContact O-SG 3Å; H361-Y420 AromaticContact CE1-CE2 3.62Å; H361-Y420 AromaticContact ND1-CE2 3.42Å; H361-Y420 WeakPolarHBondContact ND1-CE2 3.39Å; H361-Y420 AromaticContact ND1-CZ 3.68Å; H361-Y420 PolarHBondContact ND1-OH 2.92Å
362	W	94.9	Very high	92.3	Very high	72 Å²	72	31.4 Å²	31.4	27%	0.273	18%	0.18	S	C	.	.	H	α-helix	trans	-63.5	-47.9	177.7	-70.1	3.9	0	0	0	112.1	A229 P233 L328 L331 L358 V359 A364 C365 I366	A229-W362 PolarHBondContact O-NE1 2.82Å; P233-W362 HydrophobicContact CG-CG 4.5Å; L328-W362 HydrophobicContact CD1-CZ2 4.25Å; L328-W362 HydrophobicContact CD2-CZ2 3.95Å; L331-W362 HydrophobicContact CD1-CH2 4.45Å; L331-W362 HydrophobicContact CD1-CZ2 4.17Å; L331-W362 HydrophobicContact CD2-CH2 3.8Å; L331-W362 HydrophobicContact CD2-CZ2 3.94Å; L358-W362 HydrophobicContact CD2-CD2 3.83Å; L358-W362 VanDerWaalsContact CD2-CE2 3.47Å; L358-W362 HydrophobicContact CD2-CE3 4.2Å; L358-W362 HydrophobicContact CD2-CG 4.43Å; L358-W362 HydrophobicContact CD2-CH2 4.02Å; L358-W362 HydrophobicContact CD2-CZ2 3.59Å; L358-W362 HydrophobicContact CD2-CZ3 4.29Å; L358-W362 HydrophobicContact CG-CZ2 4.35Å; L358-W362 VanDerWaalsContact O-CD1 3.27Å; L358-W362 PolarHBondContact O-N 2.85Å; V359-W362 PolarHBondContact O-N 2.82Å; W362-A364 VanDerWaalsContact C-N 3.28Å; W362-A364 PolarHBondContact O-N 3.19Å; W362-C365 PolarHBondContact O-N 2.83Å; W362-C365 VanDerWaalsContact O-N 3.15Å; W362-I366 WeakPolarHBondContact O-CG1 3.5Å; W362-I366 PolarHBondContact O-N 3.37Å
363	L	94.9	Very high	92.3	Very high	24 Å²	24	39.1 Å²	39.1	13%	0.126	21%	0.208	C	C	.	.	H	α-helix	trans	-67.5	-28.6	179.2	-70.2	168.1	0	0	0	112	V359 I366 W367 T427 L431 F449 M453	V359-L363 HydrophobicContact CG1-CD1 3.59Å; V359-L363 HydrophobicContact CG1-CG 4.28Å; V359-L363 WeakPolarHBondContact O-CB 3.4Å; V359-L363 WeakPolarHBondContact O-CG 3.5Å; V359-L363 PolarHBondContact O-N 2.8Å; L363-I366 HydrophobicContact CD2-CD1 4.37Å; L363-W367 VanDerWaalsContact O-CB 3.31Å; L363-W367 WeakPolarHBondContact O-CB 3.3Å; L363-W367 PolarHBondContact O-N 2.73Å; L363-T427 HydrophobicContact CB-CG2 3.56Å; L363-L431 HydrophobicContact CD1-CD1 4.36Å; L363-L431 HydrophobicContact CD1-CD2 4.04Å; L363-F449 HydrophobicContact CB-CZ 4.36Å; L363-F449 HydrophobicContact CD2-CE2 3.86Å; L363-F449 HydrophobicContact CD2-CZ 3.8Å; L363-F449 WeakPolarHBondContact O-CZ 3.47Å; L363-M453 HydrophobicContact CD1-CG 4.21Å
364	A	95.4	Very high	92.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-70.7	-35.4	170.5	0	0	0	0	0	113.4	A360 H361 W362 Y368 S423 L424 T427	A360-A364 WeakPolarHBondContact O-CB 3.22Å; A360-A364 PolarHBondContact O-N 3.36Å; H361-A364 PolarHBondContact O-N 2.94Å; W362-A364 VanDerWaalsContact C-N 3.28Å; W362-A364 PolarHBondContact O-N 3.19Å; A364-Y368 PolarHBondContact O-N 2.84Å; A364-S423 WeakPolarHBondContact O-CB 3.28Å; A364-L424 HydrophobicContact CB-CB 4.23Å; A364-L424 HydrophobicContact CB-CD1 4.15Å; A364-T427 WeakPolarHBondContact CA-OG1 3.49Å; A364-T427 PolarHBondContact N-OG1 2.92Å
365	C	93.8	Very high	91.7	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.007	18%	0.177	C	C	.	.	H	α-helix	trans	-69.1	-38.6	173.5	-65.3	0	0	0	0	111.4	P233 S237 H361 W362 Y368 S369	P233-C365 HydrophobicContact CB-CB 4.1Å; S237-C365 WeakPolarHBondContact CB-O 3.36Å; S237-C365 PolarHBondContact OG-O 3.47Å; S237-C365 VanDerWaalsContact OG-O 3.13Å; H361-C365 PolarHBondContact CE1-SG 3.29Å; H361-C365 PolarHBondContact O-N 2.94Å; H361-C365 PolarHBondContact O-SG 3Å; W362-C365 PolarHBondContact O-N 2.83Å; W362-C365 VanDerWaalsContact O-N 3.15Å; C365-Y368 PolarHBondContact O-N 3.39Å; C365-S369 PolarHBondContact O-N 3.11Å
366	I	93.3	Very high	91.3	Very high	79 Å²	79	34.4 Å²	34.4	41%	0.405	17%	0.174	S	C	.	.	H	α-helix	trans	-66.9	-43.2	173.1	-62.8	162.3	0	0	0	110.7	W362 L363 Y368 S369 I370 F449	W362-I366 WeakPolarHBondContact O-CG1 3.5Å; W362-I366 PolarHBondContact O-N 3.37Å; L363-I366 HydrophobicContact CD2-CD1 4.37Å; I366-Y368 VanDerWaalsContact C-N 3.31Å; I366-Y368 PolarHBondContact O-N 2.96Å; I366-S369 PolarHBondContact O-N 3.2Å; I366-S369 VanDerWaalsContact O-N 3.08Å; I366-I370 HydrophobicContact CG2-CD1 3.93Å; I366-I370 HydrophobicContact CG2-CG1 4.42Å; I366-I370 WeakPolarHBondContact O-CG1 3.26Å; I366-I370 PolarHBondContact O-N 2.83Å; I366-F449 HydrophobicContact CB-CE2 4.05Å; I366-F449 HydrophobicContact CB-CZ 3.86Å; I366-F449 HydrophobicContact CG2-CD2 4.06Å; I366-F449 HydrophobicContact CG2-CE1 4.46Å; I366-F449 HydrophobicContact CG2-CE2 3.38Å; I366-F449 HydrophobicContact CG2-CZ 3.6Å
367	W	95	Very high	90.5	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-57	-43.2	173.9	-177.5	-112.1	0	0	0	112.6	L363 I370 G371 W388 F426 I439 P441 E446 F449	L363-W367 VanDerWaalsContact O-CB 3.31Å; L363-W367 WeakPolarHBondContact O-CB 3.3Å; L363-W367 PolarHBondContact O-N 2.73Å; W367-I370 PolarHBondContact O-N 3.49Å; W367-G371 PolarHBondContact O-N 3.11Å; W367-G371 VanDerWaalsContact O-N 3.11Å; W367-W388 AromaticContact CD1-CE2 3.66Å; W367-W388 AromaticContact CD1-CH2 3.79Å; W367-W388 AromaticContact CD1-CZ2 3.5Å; W367-W388 VanDerWaalsContact CD1-CZ2 3.5Å; W367-W388 AromaticContact CD2-NE1 3.99Å; W367-W388 AromaticContact CE2-CD1 3.64Å; W367-W388 AromaticContact CE2-CD2 3.63Å; W367-W388 AromaticContact CE2-CE2 3.62Å; W367-W388 AromaticContact CE2-CG 3.71Å; W367-W388 AromaticContact CE2-NE1 3.56Å; W367-W388 HydrophobicContact CG-CZ2 4.32Å; W367-W388 HydrophobicContact CH2-CB 4.42Å; W367-W388 AromaticContact CH2-CD1 3.89Å; W367-W388 HydrophobicContact CH2-CG 4.15Å; W367-W388 HydrophobicContact CZ2-CB 3.75Å; W367-W388 AromaticContact CZ2-CD1 3.4Å; W367-W388 VanDerWaalsContact CZ2-CD1 3.4Å; W367-W388 AromaticContact CZ2-CD2 3.77Å; W367-W388 HydrophobicContact CZ2-CD2 3.77Å; W367-W388 AromaticContact CZ2-CG 3.34Å; W367-W388 HydrophobicContact CZ2-CG 3.34Å; W367-W388 AromaticContact CZ2-NE1 3.85Å; W367-W388 AromaticContact NE1-CD2 3.24Å; W367-W388 AromaticContact NE1-CE2 3.18Å; W367-W388 AromaticContact NE1-CE3 3.5Å; W367-W388 AromaticContact NE1-CG 3.85Å; W367-W388 AromaticContact NE1-CH2 3.71Å; W367-W388 AromaticContact NE1-CZ2 3.46Å; W367-W388 AromaticContact NE1-CZ3 3.7Å; W367-W388 AromaticContact NE1-NE1 3.63Å; W367-W388 PolarHBondContact O-NE1 3.46Å; W367-F426 AromaticContact CD1-CD1 3.77Å; W367-F426 AromaticContact CD2-CD1 3.58Å; W367-F426 HydrophobicContact CD2-CD1 3.58Å; W367-F426 AromaticContact CD2-CE1 3.53Å; W367-F426 HydrophobicContact CD2-CE1 3.53Å; W367-F426 AromaticContact CE2-CD1 3.32Å; W367-F426 AromaticContact CE2-CE1 3.42Å; W367-F426 VanDerWaalsContact CE2-CE1 3.42Å; W367-F426 HydrophobicContact CE3-CD1 4.26Å; W367-F426 AromaticContact CE3-CE1 3.72Å; W367-F426 HydrophobicContact CE3-CE1 3.72Å; W367-F426 AromaticContact CG-CD1 3.83Å; W367-F426 HydrophobicContact CG-CD1 3.83Å; W367-F426 HydrophobicContact CG-CE1 4.2Å; W367-F426 HydrophobicContact CH2-CD1 4.39Å; W367-F426 AromaticContact CH2-CE1 3.67Å; W367-F426 HydrophobicContact CH2-CE1 3.67Å; W367-F426 AromaticContact CH2-CZ 3.84Å; W367-F426 HydrophobicContact CH2-CZ 3.84Å; W367-F426 AromaticContact CZ2-CD1 3.77Å; W367-F426 HydrophobicContact CZ2-CD1 3.77Å; W367-F426 AromaticContact CZ2-CE1 3.51Å; W367-F426 HydrophobicContact CZ2-CE1 3.51Å; W367-F426 HydrophobicContact CZ2-CE2 4.39Å; W367-F426 HydrophobicContact CZ2-CG 4.32Å; W367-F426 AromaticContact CZ2-CZ 3.85Å; W367-F426 HydrophobicContact CZ2-CZ 3.85Å; W367-F426 AromaticContact CZ3-CE1 3.78Å; W367-F426 HydrophobicContact CZ3-CE1 3.78Å; W367-F426 HydrophobicContact CZ3-CZ 4.24Å; W367-F426 AromaticContact NE1-CD1 3.46Å; W367-F426 AromaticContact NE1-CG 3.94Å; W367-I439 HydrophobicContact CZ2-CG2 4.17Å; W367-P441 HydrophobicContact CH2-CB 4.12Å; W367-E446 HydrophobicContact CH2-CB 3.85Å; W367-E446 HydrophobicContact CH2-CG 3.87Å; W367-E446 HydrophobicContact CZ3-CB 3.85Å; W367-E446 HydrophobicContact CZ3-CG 3.96Å; W367-F449 HydrophobicContact CB-CE1 4Å; W367-F449 AromaticContact CE3-CD1 3.62Å; W367-F449 HydrophobicContact CE3-CD1 3.62Å; W367-F449 AromaticContact CE3-CE1 3.85Å; W367-F449 HydrophobicContact CE3-CE1 3.85Å; W367-F449 HydrophobicContact CZ3-CD1 4.15Å
368	Y	93.4	Very high	89.3	Confident	14 Å²	14	41.5 Å²	41.5	6%	0.055	20%	0.2	C	C	.	.	H	α-helix	trans	-59.5	-49.8	171.3	-178.3	-95.5	0	0	0	111.8	S237 F238 A364 C365 I366 I370 G371 D372 L419	S237-Y368 WeakPolarHBondContact O-CE1 3.32Å; F238-Y368 AromaticContact CD1-CD1 3.92Å; F238-Y368 HydrophobicContact CD1-CD1 3.92Å; F238-Y368 HydrophobicContact CD1-CD2 4.06Å; F238-Y368 HydrophobicContact CD1-CE1 4.06Å; F238-Y368 HydrophobicContact CD1-CE2 4.16Å; F238-Y368 AromaticContact CD1-CG 3.94Å; F238-Y368 HydrophobicContact CD1-CG 3.94Å; F238-Y368 HydrophobicContact CD2-CD1 4.48Å; F238-Y368 AromaticContact CE1-CD1 3.86Å; F238-Y368 HydrophobicContact CE1-CD1 3.86Å; F238-Y368 AromaticContact CE1-CD2 3.39Å; F238-Y368 HydrophobicContact CE1-CD2 3.39Å; F238-Y368 HydrophobicContact CE1-CE1 4.31Å; F238-Y368 AromaticContact CE1-CE2 3.88Å; F238-Y368 HydrophobicContact CE1-CE2 3.88Å; F238-Y368 AromaticContact CE1-CG 3.38Å; F238-Y368 HydrophobicContact CE1-CG 3.38Å; F238-Y368 HydrophobicContact CE2-CD1 4.4Å; F238-Y368 HydrophobicContact CE2-CG 4.17Å; F238-Y368 HydrophobicContact CG-CD1 4.24Å; F238-Y368 HydrophobicContact CG-CE1 4.49Å; F238-Y368 HydrophobicContact CZ-CD1 4.09Å; F238-Y368 AromaticContact CZ-CD2 3.89Å; F238-Y368 HydrophobicContact CZ-CD2 3.89Å; F238-Y368 AromaticContact CZ-CG 3.5Å; F238-Y368 HydrophobicContact CZ-CG 3.5Å; A364-Y368 PolarHBondContact O-N 2.84Å; C365-Y368 PolarHBondContact O-N 3.39Å; I366-Y368 VanDerWaalsContact C-N 3.31Å; I366-Y368 PolarHBondContact O-N 2.96Å; Y368-I370 VanDerWaalsContact C-N 3.27Å; Y368-I370 PolarHBondContact O-N 2.8Å; Y368-G371 PolarHBondContact O-N 3.46Å; Y368-G371 VanDerWaalsContact O-N 3.09Å; Y368-D372 HydrophobicContact CD1-CB 4.4Å; Y368-D372 HydrophobicContact CE1-CB 3.83Å; Y368-D372 VanDerWaalsContact CZ-OD1 3.29Å; Y368-D372 WeakPolarHBondContact O-CB 3.46Å; Y368-D372 PolarHBondContact O-N 2.98Å; Y368-D372 PolarHBondContact OH-OD1 3.17Å; Y368-L419 HydrophobicContact CD2-CB 4.29Å; Y368-L419 HydrophobicContact CE2-CB 4.09Å; Y368-L419 HydrophobicContact CE2-CD1 3.98Å; Y368-L419 HydrophobicContact CE2-CD2 4.25Å; Y368-L419 HydrophobicContact CE2-CG 4.33Å
369	S	90.4	Very high	88.2	Confident	59 Å²	59	46.7 Å²	46.7	41%	0.413	23%	0.232	S	C	.	.	H	α-helix	trans	-62.9	-29.6	-178.3	-165	0	0	0	0	113.8	C365 I366 Y373	C365-S369 PolarHBondContact O-N 3.11Å; I366-S369 PolarHBondContact O-N 3.2Å; I366-S369 VanDerWaalsContact O-N 3.08Å; S369-Y373 VanDerWaalsContact O-CB 3.32Å; S369-Y373 WeakPolarHBondContact O-CB 3.17Å; S369-Y373 PolarHBondContact O-N 3.38Å
370	I	91.1	Very high	87.1	Confident	32 Å²	32	49.3 Å²	49.3	16%	0.164	25%	0.249	C	C	.	.	H	α-helix	trans	-71.5	-45.2	172.8	-67.6	165.3	0	0	0	109.9	I366 W367 Y368 Y373 E374 E446 F449	I366-I370 HydrophobicContact CG2-CD1 3.93Å; I366-I370 HydrophobicContact CG2-CG1 4.42Å; I366-I370 WeakPolarHBondContact O-CG1 3.26Å; I366-I370 PolarHBondContact O-N 2.83Å; W367-I370 PolarHBondContact O-N 3.49Å; Y368-I370 VanDerWaalsContact C-N 3.27Å; Y368-I370 PolarHBondContact O-N 2.8Å; I370-Y373 PolarHBondContact O-N 2.86Å; I370-E374 HydrophobicContact CG2-CG 4.48Å; I370-E374 WeakPolarHBondContact O-CB 3.4Å; I370-E374 PolarHBondContact O-N 3.1Å; I370-E446 HydrophobicContact CG2-CG 4.37Å; I370-F449 HydrophobicContact CD1-CB 3.72Å; I370-F449 HydrophobicContact CD1-CD1 3.73Å; I370-F449 HydrophobicContact CD1-CD2 3.8Å; I370-F449 HydrophobicContact CD1-CE1 4.24Å; I370-F449 HydrophobicContact CD1-CE2 4.35Å; I370-F449 HydrophobicContact CD1-CG 3.45Å; I370-F449 VanDerWaalsContact CD1-CG 3.45Å
371	G	89.7	Confident	85.9	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-60.8	-46.5	175.6	0	0	0	0	0	113	W367 Y368 Y373 E374 V375 L389	W367-G371 PolarHBondContact O-N 3.11Å; W367-G371 VanDerWaalsContact O-N 3.11Å; Y368-G371 PolarHBondContact O-N 3.46Å; Y368-G371 VanDerWaalsContact O-N 3.09Å; G371-Y373 VanDerWaalsContact C-N 3.26Å; G371-Y373 PolarHBondContact O-N 3.21Å; G371-E374 PolarHBondContact O-N 3.01Å; G371-V375 VanDerWaalsContact O-CB 3.27Å; G371-V375 WeakPolarHBondContact O-CB 3.36Å; G371-V375 VanDerWaalsContact O-CG1 3.28Å; G371-V375 WeakPolarHBondContact O-CG1 3.5Å; G371-V375 PolarHBondContact O-N 3.49Å; G371-L389 VanDerWaalsContact C-CD2 3.41Å; G371-L389 WeakPolarHBondContact O-CD2 3.32Å
372	D	86.9	Confident	85	Confident	58 Å²	58	55.9 Å²	55.9	31%	0.31	29%	0.288	S	S	.	.	H	α-helix	trans	-60.5	-35.1	178.7	-157	74.1	0	0	0	111.7	Y368	Y368-D372 HydrophobicContact CD1-CB 4.4Å; Y368-D372 HydrophobicContact CE1-CB 3.83Å; Y368-D372 VanDerWaalsContact CZ-OD1 3.29Å; Y368-D372 WeakPolarHBondContact O-CB 3.46Å; Y368-D372 PolarHBondContact O-N 2.98Å; Y368-D372 PolarHBondContact OH-OD1 3.17Å
373	Y	85.4	Confident	84.3	Confident	192 Å²	192	53.9 Å²	53.9	75%	0.753	28%	0.282	S	S	*	.	H	α-helix	trans	-80.3	-34.2	177	-178.5	-97.4	0	0	0	113.9	S369 I370 G371	S369-Y373 VanDerWaalsContact O-CB 3.32Å; S369-Y373 WeakPolarHBondContact O-CB 3.17Å; S369-Y373 PolarHBondContact O-N 3.38Å; I370-Y373 PolarHBondContact O-N 2.86Å; G371-Y373 VanDerWaalsContact C-N 3.26Å; G371-Y373 PolarHBondContact O-N 3.21Å
374	E	85.4	Confident	83.5	Confident	30 Å²	30	56.9 Å²	56.9	14%	0.14	29%	0.294	C	S	.	.	H	α-helix	trans	-88.7	-26	-177.8	-72	-166.4	173.7	0	0	114.2	I370 G371 K384 T443	I370-E374 HydrophobicContact CG2-CG 4.48Å; I370-E374 WeakPolarHBondContact O-CB 3.4Å; I370-E374 PolarHBondContact O-N 3.1Å; G371-E374 PolarHBondContact O-N 3.01Å; E374-K384 VanDerWaalsContact O-CD 3.26Å; E374-K384 WeakPolarHBondContact O-CD 3.29Å; E374-K384 WeakPolarHBondContact O-CG 3.48Å; E374-T443 WeakPolarHBondContact OE2-CB 3.23Å; E374-T443 VanDerWaalsContact OE2-CG2 3.27Å; E374-T443 WeakPolarHBondContact OE2-CG2 3.33Å; E374-T443 PolarHBondContact OE2-OG1 2.91Å
375	V	83.1	Confident	82.8	Confident	4 Å²	4	60.4 Å²	60.4	2%	0.024	32%	0.316	C	S	.	.	H	α-helix	trans	-65.5	-41.4	-174.3	67.9	0	0	0	0	113	G371 I383 K384 L389 Y400	G371-V375 VanDerWaalsContact O-CB 3.27Å; G371-V375 WeakPolarHBondContact O-CB 3.36Å; G371-V375 VanDerWaalsContact O-CG1 3.28Å; G371-V375 WeakPolarHBondContact O-CG1 3.5Å; G371-V375 PolarHBondContact O-N 3.49Å; V375-I383 HydrophobicContact CG2-CD1 4.32Å; V375-I383 HydrophobicContact CG2-CG1 4.03Å; V375-I383 CarbonylContact O-C 3.58Å; V375-I383 VanDerWaalsContact O-CA 3.29Å; V375-I383 WeakPolarHBondContact O-CA 3.19Å; V375-I383 VanDerWaalsContact O-CG1 3.27Å; V375-I383 WeakPolarHBondContact O-CG1 3.08Å; V375-K384 PolarHBondContact O-N 3.27Å; V375-L389 HydrophobicContact CB-CB 4.47Å; V375-L389 HydrophobicContact CB-CD2 4.05Å; V375-L389 HydrophobicContact CB-CG 4.42Å; V375-L389 HydrophobicContact CG1-CD2 3.74Å; V375-L389 HydrophobicContact CG2-CG 4.46Å; V375-Y400 HydrophobicContact CG2-CE2 4.14Å
376	I	80.8	Confident	82.2	Confident	51 Å²	51	65.2 Å²	65.2	26%	0.262	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	114.9	179	-67.7	160.9	0	0	0	107.8	E378 W410	I376-E378 PolarHBondContact O-N 3.48Å; I376-W410 HydrophobicContact CD1-CB 4.03Å; I376-W410 HydrophobicContact CD1-CG 4.19Å; I376-W410 HydrophobicContact CG1-CG 4.45Å
377	D	75.9	Confident	82	Confident	39 Å²	39	61.5 Å²	61.5	21%	0.209	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	106.7	172.5	170.2	12.4	0	0	0	109.6	T379 T380 N381 S382	D377-T379 PolarHBondContact O-N 3.4Å; D377-T379 VanDerWaalsContact O-N 3.11Å; D377-T379 WeakPolarHBondContact OD1-CB 3.34Å; D377-T379 PolarHBondContact OD1-N 3.43Å; D377-T379 PolarHBondContact OD1-OG1 3.29Å; D377-T379 PolarHBondContact OD2-OG1 3.34Å; D377-T380 WeakPolarHBondContact CB-OG1 3.38Å; D377-T380 PolarHBondContact O-N 2.88Å; D377-T380 WeakPolarHBondContact OD2-CB 3.45Å; D377-T380 VanDerWaalsContact OD2-CG2 3.27Å; D377-T380 WeakPolarHBondContact OD2-CG2 3.33Å; D377-T380 PolarHBondContact OD2-OG1 3.43Å; D377-N381 VanDerWaalsContact O-CA 3.28Å; D377-N381 WeakPolarHBondContact O-CA 3.46Å; D377-N381 PolarHBondContact O-N 3.29Å; D377-S382 PolarHBondContact N-O 3.37Å; D377-S382 VanDerWaalsContact N-O 3.07Å
378	E	67.8	Low	81.8	Confident	169 Å²	169	61.7 Å²	61.7	79%	0.79	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-25.8	179.4	-63.9	-171.3	153.4	0	0	113.2	I376	I376-E378 PolarHBondContact O-N 3.48Å
379	T	70.5	Confident	81.7	Confident	124 Å²	124	61 Å²	61	76%	0.761	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-30.8	-176.9	71.7	0	0	0	0	113.3	D377	D377-T379 PolarHBondContact O-N 3.4Å; D377-T379 VanDerWaalsContact O-N 3.11Å; D377-T379 WeakPolarHBondContact OD1-CB 3.34Å; D377-T379 PolarHBondContact OD1-N 3.43Å; D377-T379 PolarHBondContact OD1-OG1 3.29Å; D377-T379 PolarHBondContact OD2-OG1 3.34Å
380	T	69.8	Low	81.6	Confident	81 Å²	81	60.6 Å²	60.6	50%	0.497	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-9.7	179.5	61.1	0	0	0	0	113.6	D377 S382	D377-T380 WeakPolarHBondContact CB-OG1 3.38Å; D377-T380 PolarHBondContact O-N 2.88Å; D377-T380 WeakPolarHBondContact OD2-CB 3.45Å; D377-T380 VanDerWaalsContact OD2-CG2 3.27Å; D377-T380 WeakPolarHBondContact OD2-CG2 3.33Å; D377-T380 PolarHBondContact OD2-OG1 3.43Å; T380-S382 PolarHBondContact O-N 2.84Å; T380-S382 VanDerWaalsContact O-N 3.09Å; T380-S382 WeakPolarHBondContact OG1-CB 3.33Å; T380-S382 PolarHBondContact OG1-N 3.14Å; T380-S382 PolarHBondContact OG1-OG 3.23Å
381	N	71.4	Confident	81.4	Confident	89 Å²	89	63.5 Å²	63.5	48%	0.476	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	17.2	-167.1	-78.6	-87.3	0	0	0	114.4	D377 W410	D377-N381 VanDerWaalsContact O-CA 3.28Å; D377-N381 WeakPolarHBondContact O-CA 3.46Å; D377-N381 PolarHBondContact O-N 3.29Å; N381-W410 PolarHBondContact O-NE1 2.88Å
382	S	76.9	Confident	81.5	Confident	55 Å²	55	64.1 Å²	64.1	39%	0.385	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	150	178.6	72.9	0	0	0	0	111.6	D377 T380	D377-S382 PolarHBondContact N-O 3.37Å; D377-S382 VanDerWaalsContact N-O 3.07Å; T380-S382 PolarHBondContact O-N 2.84Å; T380-S382 VanDerWaalsContact O-N 3.09Å; T380-S382 WeakPolarHBondContact OG1-CB 3.33Å; T380-S382 PolarHBondContact OG1-N 3.14Å; T380-S382 PolarHBondContact OG1-OG 3.23Å
383	I	79	Confident	81.5	Confident	30 Å²	30	61.3 Å²	61.3	15%	0.154	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	128.1	175.6	-159.8	170.3	0	0	0	109.5	V375 T385 Y390 Y400 W410	V375-I383 HydrophobicContact CG2-CD1 4.32Å; V375-I383 HydrophobicContact CG2-CG1 4.03Å; V375-I383 CarbonylContact O-C 3.58Å; V375-I383 VanDerWaalsContact O-CA 3.29Å; V375-I383 WeakPolarHBondContact O-CA 3.19Å; V375-I383 VanDerWaalsContact O-CG1 3.27Å; V375-I383 WeakPolarHBondContact O-CG1 3.08Å; I383-T385 PolarHBondContact O-N 2.98Å; I383-Y390 HydrophobicContact CD1-CD2 3.7Å; I383-Y390 HydrophobicContact CD1-CE2 4.01Å; I383-Y390 HydrophobicContact CG1-CD2 4.1Å; I383-Y390 HydrophobicContact CG2-CE2 4.49Å; I383-Y400 HydrophobicContact CD1-CD2 3.83Å; I383-Y400 HydrophobicContact CD1-CG 3.84Å; I383-W410 HydrophobicContact CB-CH2 3.7Å; I383-W410 HydrophobicContact CB-CZ2 3.78Å; I383-W410 HydrophobicContact CB-CZ3 4.09Å; I383-W410 HydrophobicContact CD1-CE3 4.02Å; I383-W410 HydrophobicContact CD1-CH2 4.45Å; I383-W410 HydrophobicContact CD1-CZ3 3.96Å; I383-W410 HydrophobicContact CG2-CH2 3.41Å; I383-W410 VanDerWaalsContact CG2-CH2 3.41Å; I383-W410 HydrophobicContact CG2-CZ2 3.95Å; I383-W410 HydrophobicContact CG2-CZ3 3.89Å
384	K	78.1	Confident	81.7	Confident	87 Å²	87	56.5 Å²	56.5	38%	0.378	30%	0.297	S	S	.	.			trans	-81.7	106.2	175.7	-64.4	-172	-164.3	142.8	0	109.2	E374 V375 D386	E374-K384 VanDerWaalsContact O-CD 3.26Å; E374-K384 WeakPolarHBondContact O-CD 3.29Å; E374-K384 WeakPolarHBondContact O-CG 3.48Å; V375-K384 PolarHBondContact O-N 3.27Å; K384-D386 PolarHBondContact O-N 3.38Å; K384-D386 VanDerWaalsContact O-N 3.14Å
385	T	80.7	Confident	81.7	Confident	74 Å²	74	59.6 Å²	59.6	45%	0.454	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-22.8	179.6	46.5	0	0	0	0	114	I383 Y390	I383-T385 PolarHBondContact O-N 2.98Å; T385-Y390 HydrophobicContact CG2-CE1 4.17Å; T385-Y390 WeakPolarHBondContact O-CD1 3.41Å
386	D	82.1	Confident	81.9	Confident	103 Å²	103	62.6 Å²	62.6	55%	0.551	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-31.8	-167.2	-59.8	1	0	0	0	111.1	K384 Q391 T442	K384-D386 PolarHBondContact O-N 3.38Å; K384-D386 VanDerWaalsContact O-N 3.14Å; D386-Q391 PolarHBondContact O-NE2 3.33Å; D386-T442 PolarHBondContact O-OG1 2.78Å
387	S	89.3	Confident	82.1	Confident	0 Å²	0	63 Å²	63	0%	0	35%	0.354	C	S	.	.	S	Bend	trans	-57.6	144.3	-173.3	178	0	0	0	0	113.6	L389 Y390 Q391 E446	S387-L389 PolarHBondContact O-N 2.95Å; S387-Y390 PolarHBondContact O-N 3.37Å; S387-Q391 PolarHBondContact O-N 3.05Å; S387-Q391 VanDerWaalsContact O-N 3.1Å; S387-E446 WeakPolarHBondContact CA-OE1 3.25Å; S387-E446 VanDerWaalsContact CB-OE1 3.31Å; S387-E446 WeakPolarHBondContact CB-OE1 3.5Å; S387-E446 PolarHBondContact OG-OE1 3.11Å
388	W	90.6	Very high	82.7	Confident	4 Å²	4	66.4 Å²	66.4	2%	0.015	37%	0.367	C	S	.	.	H	α-helix	trans	-50.2	-34.5	-179.2	83.2	-91.8	0	0	0	113	W367 Q391 L392 S423 I439 E446	W367-W388 AromaticContact CD1-CE2 3.66Å; W367-W388 AromaticContact CD1-CH2 3.79Å; W367-W388 AromaticContact CD1-CZ2 3.5Å; W367-W388 VanDerWaalsContact CD1-CZ2 3.5Å; W367-W388 AromaticContact CD2-NE1 3.99Å; W367-W388 AromaticContact CE2-CD1 3.64Å; W367-W388 AromaticContact CE2-CD2 3.63Å; W367-W388 AromaticContact CE2-CE2 3.62Å; W367-W388 AromaticContact CE2-CG 3.71Å; W367-W388 AromaticContact CE2-NE1 3.56Å; W367-W388 HydrophobicContact CG-CZ2 4.32Å; W367-W388 HydrophobicContact CH2-CB 4.42Å; W367-W388 AromaticContact CH2-CD1 3.89Å; W367-W388 HydrophobicContact CH2-CG 4.15Å; W367-W388 HydrophobicContact CZ2-CB 3.75Å; W367-W388 AromaticContact CZ2-CD1 3.4Å; W367-W388 VanDerWaalsContact CZ2-CD1 3.4Å; W367-W388 AromaticContact CZ2-CD2 3.77Å; W367-W388 HydrophobicContact CZ2-CD2 3.77Å; W367-W388 AromaticContact CZ2-CG 3.34Å; W367-W388 HydrophobicContact CZ2-CG 3.34Å; W367-W388 AromaticContact CZ2-NE1 3.85Å; W367-W388 AromaticContact NE1-CD2 3.24Å; W367-W388 AromaticContact NE1-CE2 3.18Å; W367-W388 AromaticContact NE1-CE3 3.5Å; W367-W388 AromaticContact NE1-CG 3.85Å; W367-W388 AromaticContact NE1-CH2 3.71Å; W367-W388 AromaticContact NE1-CZ2 3.46Å; W367-W388 AromaticContact NE1-CZ3 3.7Å; W367-W388 AromaticContact NE1-NE1 3.63Å; W367-W388 PolarHBondContact O-NE1 3.46Å; W388-Q391 PolarHBondContact O-N 3.11Å; W388-L392 HydrophobicContact CE3-CD2 4.33Å; W388-L392 HydrophobicContact CZ3-CD2 3.68Å; W388-L392 WeakPolarHBondContact O-CB 3.31Å; W388-L392 PolarHBondContact O-N 2.88Å; W388-S423 VanDerWaalsContact CH2-OG 3.24Å; W388-S423 WeakPolarHBondContact CH2-OG 3.47Å; W388-I439 HydrophobicContact CB-CG2 4.29Å; W388-I439 HydrophobicContact CD2-CG2 4.33Å; W388-I439 HydrophobicContact CE3-CG2 3.72Å; W388-I439 HydrophobicContact CZ3-CD1 4.47Å; W388-I439 HydrophobicContact CZ3-CG2 4.47Å; W388-E446 VanDerWaalsContact CD1-OE1 3.26Å; W388-E446 PolarHBondContact N-OE1 2.95Å
389	L	90.2	Very high	83.5	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-71.3	-35.6	-177.8	-178.3	55.2	0	0	0	112.4	G371 V375 S387 A393 L419	G371-L389 VanDerWaalsContact C-CD2 3.41Å; G371-L389 WeakPolarHBondContact O-CD2 3.32Å; V375-L389 HydrophobicContact CB-CB 4.47Å; V375-L389 HydrophobicContact CB-CD2 4.05Å; V375-L389 HydrophobicContact CB-CG 4.42Å; V375-L389 HydrophobicContact CG1-CD2 3.74Å; V375-L389 HydrophobicContact CG2-CG 4.46Å; S387-L389 PolarHBondContact O-N 2.95Å; L389-A393 WeakPolarHBondContact O-CB 3.31Å; L389-A393 PolarHBondContact O-N 3.44Å; L389-A393 VanDerWaalsContact O-N 3.14Å; L389-L419 HydrophobicContact CD1-CD2 3.21Å
390	Y	88.3	Confident	84.2	Confident	50 Å²	50	56.6 Å²	56.6	20%	0.196	32%	0.315	C	S	.	.	H	α-helix	trans	-72.5	-42.9	172.4	179.8	-88.6	0	0	0	111	I383 T385 S387 L392 A393 M394 Y400	I383-Y390 HydrophobicContact CD1-CD2 3.7Å; I383-Y390 HydrophobicContact CD1-CE2 4.01Å; I383-Y390 HydrophobicContact CG1-CD2 4.1Å; I383-Y390 HydrophobicContact CG2-CE2 4.49Å; T385-Y390 HydrophobicContact CG2-CE1 4.17Å; T385-Y390 WeakPolarHBondContact O-CD1 3.41Å; S387-Y390 PolarHBondContact O-N 3.37Å; Y390-L392 VanDerWaalsContact C-N 3.31Å; Y390-L392 PolarHBondContact O-N 3.35Å; Y390-A393 WeakPolarHBondContact O-CB 3.45Å; Y390-A393 PolarHBondContact O-N 3.34Å; Y390-M394 HydrophobicContact CE1-CE 3.87Å; Y390-M394 HydrophobicContact CE2-CE 4.43Å; Y390-M394 PolarHBondContact O-N 3.17Å; Y390-M394 WeakPolarHBondContact OH-CE 3.4Å; Y390-Y400 HydrophobicContact CD2-CD2 4.25Å
391	Q	88.2	Confident	84.7	Confident	94 Å²	94	61.8 Å²	61.8	44%	0.439	33%	0.326	S	S	.	.	H	α-helix	trans	-61.3	-39.6	177.2	-61.3	-166.1	11.6	0	0	112.1	D386 S387 W388 M394 S395	D386-Q391 PolarHBondContact O-NE2 3.33Å; S387-Q391 PolarHBondContact O-N 3.05Å; S387-Q391 VanDerWaalsContact O-N 3.1Å; W388-Q391 PolarHBondContact O-N 3.11Å; Q391-M394 PolarHBondContact O-N 3.14Å; Q391-S395 PolarHBondContact O-N 3.33Å; Q391-S395 PolarHBondContact O-OG 3.28Å
392	L	90.6	Very high	85	Confident	12 Å²	12	63.1 Å²	63.1	6%	0.063	33%	0.325	C	S	.	.	H	α-helix	trans	-65.7	-41.7	173.5	-175.5	66.2	0	0	0	112.5	W388 Y390 M394 S395 I396 L419 S422 I439	W388-L392 HydrophobicContact CE3-CD2 4.33Å; W388-L392 HydrophobicContact CZ3-CD2 3.68Å; W388-L392 WeakPolarHBondContact O-CB 3.31Å; W388-L392 PolarHBondContact O-N 2.88Å; Y390-L392 VanDerWaalsContact C-N 3.31Å; Y390-L392 PolarHBondContact O-N 3.35Å; L392-M394 PolarHBondContact O-N 2.95Å; L392-S395 PolarHBondContact O-N 3.14Å; L392-S395 PolarHBondContact O-OG 3.02Å; L392-I396 HydrophobicContact CD1-CD1 3.59Å; L392-I396 HydrophobicContact CD1-CG1 4.12Å; L392-I396 HydrophobicContact CG-CD1 3.85Å; L392-I396 WeakPolarHBondContact O-CB 3.27Å; L392-I396 WeakPolarHBondContact O-CG1 3.41Å; L392-I396 PolarHBondContact O-N 3.47Å; L392-I396 VanDerWaalsContact O-N 3.1Å; L392-L419 HydrophobicContact CD2-CD2 4.18Å; L392-S422 VanDerWaalsContact CD2-CB 3.46Å; L392-I439 HydrophobicContact CD1-CD1 4.29Å
393	A	88.5	Confident	84.9	Confident	0 Å²	0	63 Å²	63	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-59.9	-37.8	175.1	0	0	0	0	0	111.7	L389 Y390 G397 K398 Y400 P414	L389-A393 WeakPolarHBondContact O-CB 3.31Å; L389-A393 PolarHBondContact O-N 3.44Å; L389-A393 VanDerWaalsContact O-N 3.14Å; Y390-A393 WeakPolarHBondContact O-CB 3.45Å; Y390-A393 PolarHBondContact O-N 3.34Å; A393-G397 PolarHBondContact O-N 2.97Å; A393-K398 CarbonylContact O-C 3.56Å; A393-K398 PolarHBondContact O-N 3.06Å; A393-Y400 HydrophobicContact CB-CD2 3.91Å; A393-Y400 HydrophobicContact CB-CE2 3.6Å; A393-P414 HydrophobicContact CB-CG 4.43Å
394	M	87.6	Confident	84.1	Confident	91 Å²	91	65.5 Å²	65.5	45%	0.448	35%	0.345	S	S	.	.	H	α-helix	trans	-71.1	-47.9	177.1	-162	62.4	64.3	0	0	112.6	Y390 Q391 L392 I396 G397 P399	Y390-M394 HydrophobicContact CE1-CE 3.87Å; Y390-M394 HydrophobicContact CE2-CE 4.43Å; Y390-M394 PolarHBondContact O-N 3.17Å; Y390-M394 WeakPolarHBondContact OH-CE 3.4Å; Q391-M394 PolarHBondContact O-N 3.14Å; L392-M394 PolarHBondContact O-N 2.95Å; M394-I396 VanDerWaalsContact C-N 3.29Å; M394-I396 PolarHBondContact O-N 3.35Å; M394-G397 PolarHBondContact O-N 3.26Å; M394-P399 HydrophobicContact CE-CB 3.99Å; M394-P399 HydrophobicContact SD-CB 4.27Å
395	S	87.2	Confident	83.3	Confident	95 Å²	95	67.3 Å²	67.3	66%	0.664	37%	0.369	S	S	*	.	H	α-helix	trans	-67.6	-27.1	-177.8	64.4	0	0	0	0	113.7	Q391 L392 G397	Q391-S395 PolarHBondContact O-N 3.33Å; Q391-S395 PolarHBondContact O-OG 3.28Å; L392-S395 PolarHBondContact O-N 3.14Å; L392-S395 PolarHBondContact O-OG 3.02Å; S395-G397 VanDerWaalsContact C-N 3.32Å
396	I	87.1	Confident	82.8	Confident	67 Å²	67	66 Å²	66	34%	0.344	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-7.1	173.5	-65.5	-178.9	0	0	0	112.2	L392 M394 K398 T418	L392-I396 HydrophobicContact CD1-CD1 3.59Å; L392-I396 HydrophobicContact CD1-CG1 4.12Å; L392-I396 HydrophobicContact CG-CD1 3.85Å; L392-I396 WeakPolarHBondContact O-CB 3.27Å; L392-I396 WeakPolarHBondContact O-CG1 3.41Å; L392-I396 PolarHBondContact O-N 3.47Å; L392-I396 VanDerWaalsContact O-N 3.1Å; M394-I396 VanDerWaalsContact C-N 3.29Å; M394-I396 PolarHBondContact O-N 3.35Å; I396-K398 VanDerWaalsContact C-N 3.32Å; I396-K398 HydrophobicContact CG2-CD 4.34Å; I396-K398 HydrophobicContact CG2-CG 4.33Å; I396-T418 HydrophobicContact CD1-CG2 3.65Å
397	G	85.3	Confident	81.7	Confident	59 Å²	59	65.9 Å²	65.9	61%	0.608	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	24.1	-178.7	0	0	0	0	0	113.9	A393 M394 S395 P399	A393-G397 PolarHBondContact O-N 2.97Å; M394-G397 PolarHBondContact O-N 3.26Å; S395-G397 VanDerWaalsContact C-N 3.32Å; G397-P399 WeakPolarHBondContact O-CD 3.47Å
398	K	87.7	Confident	80.6	Confident	111 Å²	111	67.7 Å²	67.7	48%	0.483	39%	0.391	S	S	.	.			trans	-122.6	60.8	176	-67.2	-175.1	177.1	-178.4	0	111	A393 I396 G413	A393-K398 CarbonylContact O-C 3.56Å; A393-K398 PolarHBondContact O-N 3.06Å; I396-K398 VanDerWaalsContact C-N 3.32Å; I396-K398 HydrophobicContact CG2-CD 4.34Å; I396-K398 HydrophobicContact CG2-CG 4.33Å; K398-G413 CarbonylContact O-C 3.17Å; K398-G413 WeakPolarHBondContact O-CA 3.42Å; K398-G413 PolarHBondContact O-N 3.44Å
399	P	85.4	Confident	79.6	Confident	47 Å²	47	75.9 Å²	75.9	31%	0.305	42%	0.422	S	S	.	.			trans	-65.1	155.1	-178	29.6	-36.9	0	0	0	112.1	M394 G397	M394-P399 HydrophobicContact CE-CB 3.99Å; M394-P399 HydrophobicContact SD-CB 4.27Å; G397-P399 WeakPolarHBondContact O-CD 3.47Å
400	Y	83.8	Confident	78.8	Confident	39 Å²	39	79 Å²	79	15%	0.153	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	143.8	167.2	-60.8	-80.6	0	0	0	110.5	V375 I383 Y390 A393	V375-Y400 HydrophobicContact CG2-CE2 4.14Å; I383-Y400 HydrophobicContact CD1-CD2 3.83Å; I383-Y400 HydrophobicContact CD1-CG 3.84Å; Y390-Y400 HydrophobicContact CD2-CD2 4.25Å; A393-Y400 HydrophobicContact CB-CD2 3.91Å; A393-Y400 HydrophobicContact CB-CE2 3.6Å
401	R	80.6	Confident	78.1	Confident	191 Å²	191	81.1 Å²	81.1	72%	0.721	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.2	129.8	-178.6	-51.2	-176.6	83.6	151.5	4.5	108.6	E411	R401-E411 PolarHBondContact N-O 3.15Å; R401-E411 PolarHBondContact O-N 2.82Å
402	Y	77	Confident	77.5	Confident	116 Å²	116	79.8 Å²	79.8	46%	0.455	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	120.8	176.4	-174.8	-109.2	0	0	0	110.4	A404 W410	Y402-A404 HydrophobicContact CD1-CB 3.92Å; Y402-A404 HydrophobicContact CE1-CB 4.01Å; Y402-A404 PolarHBondContact O-N 3.18Å; Y402-A404 VanDerWaalsContact O-N 3.07Å; Y402-W410 AromaticContact CD2-CD2 3.91Å; Y402-W410 HydrophobicContact CD2-CD2 3.91Å; Y402-W410 AromaticContact CD2-CE2 3.69Å; Y402-W410 HydrophobicContact CD2-CE3 4.48Å; Y402-W410 HydrophobicContact CD2-CG 4.16Å; Y402-W410 HydrophobicContact CD2-CZ2 4.09Å; Y402-W410 AromaticContact CD2-NE1 3.82Å; Y402-W410 HydrophobicContact CG-CZ2 4.38Å
403	N	75.9	Confident	77	Confident	53 Å²	53	79.9 Å²	79.9	28%	0.283	46%	0.461	S	S	.	.			trans	-86.7	77.6	-179.4	-166.9	-16.9	0	0	0	111.2	S405 G406 R409 E411	N403-S405 PolarHBondContact O-N 2.96Å; N403-S405 VanDerWaalsContact O-N 3.08Å; N403-S405 PolarHBondContact OD1-N 2.72Å; N403-G406 PolarHBondContact O-N 2.92Å; N403-G406 VanDerWaalsContact O-N 3.17Å; N403-G406 PolarHBondContact OD1-N 3.48Å; N403-G406 VanDerWaalsContact OD1-N 3.11Å; N403-R409 PolarHBondContact N-O 3.33Å; N403-R409 VanDerWaalsContact N-O 3.13Å; N403-E411 HydrophobicContact CB-CG 4.41Å; N403-E411 WeakPolarHBondContact CB-OE2 3.32Å; N403-E411 PolarHBondContact ND2-OE2 3.17Å
404	A	62.2	Low	76.9	Confident	82 Å²	82	80.5 Å²	80.5	68%	0.678	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-6.8	-179	0	0	0	0	0	115.1	Y402	Y402-A404 HydrophobicContact CD1-CB 3.92Å; Y402-A404 HydrophobicContact CE1-CB 4.01Å; Y402-A404 PolarHBondContact O-N 3.18Å; Y402-A404 VanDerWaalsContact O-N 3.07Å
405	S	60.7	Low	76.8	Confident	126 Å²	126	77.6 Å²	77.6	88%	0.881	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.7	7.3	178.8	-52.7	0	0	0	0	113.1	N403	N403-S405 PolarHBondContact O-N 2.96Å; N403-S405 VanDerWaalsContact O-N 3.08Å; N403-S405 PolarHBondContact OD1-N 2.72Å
406	G	69.7	Low	76.7	Confident	47 Å²	47	77.3 Å²	77.3	49%	0.485	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.6	-140.9	-175.5	0	0	0	0	0	112.7	N403 G408	N403-G406 PolarHBondContact O-N 2.92Å; N403-G406 VanDerWaalsContact O-N 3.17Å; N403-G406 PolarHBondContact OD1-N 3.48Å; N403-G406 VanDerWaalsContact OD1-N 3.11Å; G406-G408 PolarHBondContact O-N 2.75Å
407	T	59.9	Low	76.7	Confident	99 Å²	99	79.7 Å²	79.7	61%	0.607	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	19.8	-169.7	60.3	0	0	0	0	115.5	R409	T407-R409 VanDerWaalsContact C-N 3.34Å; T407-R409 WeakPolarHBondContact O-CG 3.4Å; T407-R409 PolarHBondContact O-N 2.66Å
408	G	66	Low	77	Confident	38 Å²	38	79.6 Å²	79.6	39%	0.392	45%	0.446	S	S	.	.	S	Bend	trans	62.2	35.3	-179.7	0	0	0	0	0	114.1	G406	G406-G408 PolarHBondContact O-N 2.75Å
409	R	70.6	Confident	77.2	Confident	176 Å²	176	74.6 Å²	74.6	66%	0.664	43%	0.425	S	S	*	.			trans	-128.3	154.1	-172.8	-73.6	172.5	-177.9	179.8	-1.6	112	N403 T407	N403-R409 PolarHBondContact N-O 3.33Å; N403-R409 VanDerWaalsContact N-O 3.13Å; T407-R409 VanDerWaalsContact C-N 3.34Å; T407-R409 WeakPolarHBondContact O-CG 3.4Å; T407-R409 PolarHBondContact O-N 2.66Å
410	W	73.6	Confident	77.6	Confident	65 Å²	65	74.9 Å²	74.9	25%	0.246	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	130.4	167.6	-69.9	94.6	0	0	0	109.9	I376 N381 I383 Y402	I376-W410 HydrophobicContact CD1-CB 4.03Å; I376-W410 HydrophobicContact CD1-CG 4.19Å; I376-W410 HydrophobicContact CG1-CG 4.45Å; N381-W410 PolarHBondContact O-NE1 2.88Å; I383-W410 HydrophobicContact CB-CH2 3.7Å; I383-W410 HydrophobicContact CB-CZ2 3.78Å; I383-W410 HydrophobicContact CB-CZ3 4.09Å; I383-W410 HydrophobicContact CD1-CE3 4.02Å; I383-W410 HydrophobicContact CD1-CH2 4.45Å; I383-W410 HydrophobicContact CD1-CZ3 3.96Å; I383-W410 HydrophobicContact CG2-CH2 3.41Å; I383-W410 VanDerWaalsContact CG2-CH2 3.41Å; I383-W410 HydrophobicContact CG2-CZ2 3.95Å; I383-W410 HydrophobicContact CG2-CZ3 3.89Å; Y402-W410 AromaticContact CD2-CD2 3.91Å; Y402-W410 HydrophobicContact CD2-CD2 3.91Å; Y402-W410 AromaticContact CD2-CE2 3.69Å; Y402-W410 HydrophobicContact CD2-CE3 4.48Å; Y402-W410 HydrophobicContact CD2-CG 4.16Å; Y402-W410 HydrophobicContact CD2-CZ2 4.09Å; Y402-W410 AromaticContact CD2-NE1 3.82Å; Y402-W410 HydrophobicContact CG-CZ2 4.38Å
411	E	72.9	Confident	78.1	Confident	96 Å²	96	77.4 Å²	77.4	45%	0.449	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	150.7	-177.9	-64	-176.3	143	0	0	110.7	R401 N403	R401-E411 PolarHBondContact N-O 3.15Å; R401-E411 PolarHBondContact O-N 2.82Å; N403-E411 HydrophobicContact CB-CG 4.41Å; N403-E411 WeakPolarHBondContact CB-OE2 3.32Å; N403-E411 PolarHBondContact ND2-OE2 3.17Å
412	G	74.3	Confident	78.7	Confident	65 Å²	65	69.1 Å²	69.1	67%	0.67	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	101.5	-149.6	-176.7	0	0	0	0	0	113.5
413	G	81.1	Confident	79.5	Confident	15 Å²	15	63.6 Å²	63.6	16%	0.155	39%	0.389	C	S	.	.			trans	91.8	169.1	-170.7	0	0	0	0	0	114.5	K398	K398-G413 CarbonylContact O-C 3.17Å; K398-G413 WeakPolarHBondContact O-CA 3.42Å; K398-G413 PolarHBondContact O-N 3.44Å
414	P	86.7	Confident	80.4	Confident	13 Å²	13	63.2 Å²	63.2	8%	0.084	39%	0.387	C	S	.	.			trans	-72.7	163.6	174.7	31.5	-36.7	0	0	0	112.7	A393 L419	A393-P414 HydrophobicContact CB-CG 4.43Å; P414-L419 HydrophobicContact CB-CG 4.38Å; P414-L419 HydrophobicContact CG-CD1 4.13Å; P414-L419 HydrophobicContact CG-CD2 3.6Å; P414-L419 HydrophobicContact CG-CG 3.81Å
415	G	85.6	Confident	82	Confident	30 Å²	30	63 Å²	63	31%	0.309	37%	0.369	S	S	.	.			trans	-75.4	151.3	-178.8	0	0	0	0	0	113	D417 T418 L419	G415-D417 VanDerWaalsContact C-N 3.28Å; G415-D417 PolarHBondContact O-N 3.2Å; G415-T418 WeakPolarHBondContact O-CA 3.34Å; G415-T418 WeakPolarHBondContact O-CB 3.46Å; G415-T418 PolarHBondContact O-N 3.28Å; G415-L419 WeakPolarHBondContact O-CG 3.49Å; G415-L419 PolarHBondContact O-N 2.91Å
416	K	84.8	Confident	83.6	Confident	89 Å²	89	57.7 Å²	57.7	39%	0.387	33%	0.33	S	S	.	.	H	α-helix	trans	-57.6	-36.8	-176.4	-65	-162.1	175.8	-161.4	0	113.7	F238 R239 L419 Y420	F238-K416 PolarHBondContact O-NZ 3.24Å; R239-K416 PolarHBondContact O-NZ 3.44Å; K416-L419 PolarHBondContact O-N 3.13Å; K416-Y420 WeakPolarHBondContact O-CB 3.47Å; K416-Y420 PolarHBondContact O-N 2.95Å
417	D	87.9	Confident	84.8	Confident	117 Å²	117	55.4 Å²	55.4	63%	0.626	31%	0.307	S	S	*	.	H	α-helix	trans	-66.9	-41	177.4	-43	-59.5	0	0	0	111.3	G415 Y420 V421	G415-D417 VanDerWaalsContact C-N 3.28Å; G415-D417 PolarHBondContact O-N 3.2Å; D417-Y420 PolarHBondContact O-N 3.36Å; D417-V421 WeakPolarHBondContact O-CB 3.25Å; D417-V421 VanDerWaalsContact O-CG2 3.24Å; D417-V421 WeakPolarHBondContact O-CG2 3.43Å; D417-V421 PolarHBondContact O-N 3.09Å
418	T	90.9	Very high	86.5	Confident	56 Å²	56	54 Å²	54	34%	0.344	30%	0.295	S	S	.	.	H	α-helix	trans	-63.7	-44	174.6	-43.3	0	0	0	0	110.9	I396 G415 V421 S422	I396-T418 HydrophobicContact CD1-CG2 3.65Å; G415-T418 WeakPolarHBondContact O-CA 3.34Å; G415-T418 WeakPolarHBondContact O-CB 3.46Å; G415-T418 PolarHBondContact O-N 3.28Å; T418-V421 PolarHBondContact O-N 2.6Å; T418-S422 VanDerWaalsContact O-CB 3.32Å; T418-S422 WeakPolarHBondContact O-CB 3.33Å; T418-S422 PolarHBondContact O-N 3.3Å; T418-S422 PolarHBondContact O-OG 2.79Å
419	L	91.2	Very high	87.8	Confident	6 Å²	6	52.9 Å²	52.9	3%	0.031	28%	0.28	C	S	.	.	H	α-helix	trans	-60.5	-46.7	176.8	-74.7	164.9	0	0	0	112.1	F238 Y368 L389 L392 P414 G415 K416 S422 S423	F238-L419 HydrophobicContact CE1-CB 4.15Å; Y368-L419 HydrophobicContact CD2-CB 4.29Å; Y368-L419 HydrophobicContact CE2-CB 4.09Å; Y368-L419 HydrophobicContact CE2-CD1 3.98Å; Y368-L419 HydrophobicContact CE2-CD2 4.25Å; Y368-L419 HydrophobicContact CE2-CG 4.33Å; L389-L419 HydrophobicContact CD1-CD2 3.21Å; L392-L419 HydrophobicContact CD2-CD2 4.18Å; P414-L419 HydrophobicContact CB-CG 4.38Å; P414-L419 HydrophobicContact CG-CD1 4.13Å; P414-L419 HydrophobicContact CG-CD2 3.6Å; P414-L419 HydrophobicContact CG-CG 3.81Å; G415-L419 WeakPolarHBondContact O-CG 3.49Å; G415-L419 PolarHBondContact O-N 2.91Å; K416-L419 PolarHBondContact O-N 3.13Å; L419-S422 PolarHBondContact O-N 2.68Å; L419-S423 PolarHBondContact O-N 2.77Å; L419-S423 PolarHBondContact O-OG 3.01Å
420	Y	93.7	Very high	88.9	Confident	53 Å²	53	45.2 Å²	45.2	21%	0.208	25%	0.254	C	S	.	.	H	α-helix	trans	-60.8	-47.3	176.1	174	-106.4	0	0	0	112.3	Y234 F238 H361 K416 D417 S422 S423 L424	Y234-Y420 AromaticContact CD2-CD2 3.88Å; Y234-Y420 HydrophobicContact CD2-CD2 3.88Å; Y234-Y420 HydrophobicContact CD2-CE2 4.11Å; Y234-Y420 HydrophobicContact CD2-CG 4.38Å; Y234-Y420 HydrophobicContact CE2-CD2 4.02Å; Y234-Y420 HydrophobicContact CE2-CG 4.06Å; F238-Y420 AromaticContact CE2-CD2 3.74Å; F238-Y420 HydrophobicContact CE2-CD2 3.74Å; F238-Y420 AromaticContact CZ-CD2 3.83Å; F238-Y420 HydrophobicContact CZ-CD2 3.83Å; F238-Y420 HydrophobicContact CZ-CG 4.36Å; H361-Y420 AromaticContact CE1-CE2 3.62Å; H361-Y420 AromaticContact ND1-CE2 3.42Å; H361-Y420 WeakPolarHBondContact ND1-CE2 3.39Å; H361-Y420 AromaticContact ND1-CZ 3.68Å; H361-Y420 PolarHBondContact ND1-OH 2.92Å; K416-Y420 WeakPolarHBondContact O-CB 3.47Å; K416-Y420 PolarHBondContact O-N 2.95Å; D417-Y420 PolarHBondContact O-N 3.36Å; Y420-S422 PolarHBondContact O-N 3.2Å; Y420-S423 PolarHBondContact O-N 3.4Å; Y420-L424 HydrophobicContact CE1-CD2 4.28Å; Y420-L424 WeakPolarHBondContact O-CB 3.4Å; Y420-L424 PolarHBondContact O-N 3.18Å
421	V	94.1	Very high	89.9	Confident	92 Å²	92	42.1 Å²	42.1	56%	0.558	24%	0.242	S	C	*	.	H	α-helix	trans	-63.7	-41.3	178.8	170.9	0	0	0	0	111.3	D417 T418 L424 Y425	D417-V421 WeakPolarHBondContact O-CB 3.25Å; D417-V421 VanDerWaalsContact O-CG2 3.24Å; D417-V421 WeakPolarHBondContact O-CG2 3.43Å; D417-V421 PolarHBondContact O-N 3.09Å; T418-V421 PolarHBondContact O-N 2.6Å; V421-L424 PolarHBondContact O-N 2.74Å; V421-Y425 VanDerWaalsContact O-CB 3.24Å; V421-Y425 WeakPolarHBondContact O-CB 3.41Å; V421-Y425 PolarHBondContact O-N 2.79Å
422	S	93.9	Very high	90.8	Very high	17 Å²	17	39 Å²	39	12%	0.119	23%	0.229	C	C	.	.	H	α-helix	trans	-66.6	-42.3	176.7	-73.2	0	0	0	0	113	L392 T418 L419 Y420 Y425 F426 I439	L392-S422 VanDerWaalsContact CD2-CB 3.46Å; T418-S422 VanDerWaalsContact O-CB 3.32Å; T418-S422 WeakPolarHBondContact O-CB 3.33Å; T418-S422 PolarHBondContact O-N 3.3Å; T418-S422 PolarHBondContact O-OG 2.79Å; L419-S422 PolarHBondContact O-N 2.68Å; Y420-S422 PolarHBondContact O-N 3.2Å; S422-Y425 PolarHBondContact O-N 3.41Å; S422-F426 PolarHBondContact O-N 3.03Å; S422-I439 WeakPolarHBondContact O-CD1 3.23Å
423	S	94.4	Very high	91.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.6	-46.9	172.7	-68.6	0	0	0	0	111.8	A364 W388 L419 Y420 Y425 F426 T427	A364-S423 WeakPolarHBondContact O-CB 3.28Å; W388-S423 VanDerWaalsContact CH2-OG 3.24Å; W388-S423 WeakPolarHBondContact CH2-OG 3.47Å; L419-S423 PolarHBondContact O-N 2.77Å; L419-S423 PolarHBondContact O-OG 3.01Å; Y420-S423 PolarHBondContact O-N 3.4Å; S423-Y425 VanDerWaalsContact C-N 3.33Å; S423-Y425 PolarHBondContact O-N 2.81Å; S423-F426 PolarHBondContact O-N 3Å; S423-T427 PolarHBondContact O-N 2.99Å; S423-T427 PolarHBondContact O-OG1 3.43Å
424	L	95.1	Very high	92.4	Very high	45 Å²	45	44.5 Å²	44.5	24%	0.236	24%	0.242	C	C	.	.	H	α-helix	trans	-64.5	-39.4	-180	-174.2	63.9	0	0	0	111.5	A360 A364 Y420 V421 M428	A360-L424 HydrophobicContact CB-CD1 4.3Å; A364-L424 HydrophobicContact CB-CB 4.23Å; A364-L424 HydrophobicContact CB-CD1 4.15Å; Y420-L424 HydrophobicContact CE1-CD2 4.28Å; Y420-L424 WeakPolarHBondContact O-CB 3.4Å; Y420-L424 PolarHBondContact O-N 3.18Å; V421-L424 PolarHBondContact O-N 2.74Å; L424-M428 HydrophobicContact CD1-CG 4.27Å; L424-M428 HydrophobicContact CG-CG 4.33Å; L424-M428 VanDerWaalsContact O-CB 3.22Å; L424-M428 WeakPolarHBondContact O-CB 3.36Å; L424-M428 WeakPolarHBondContact O-CG 3.4Å; L424-M428 PolarHBondContact O-N 3.34Å
425	Y	95.1	Very high	92.5	Very high	79 Å²	79	46.5 Å²	46.5	31%	0.31	27%	0.265	S	S	.	.	H	α-helix	trans	-59.2	-51.4	172.2	167.1	-97.3	0	0	0	111.7	V421 S422 S423 T427 M428 T429 F436 N438 I439	V421-Y425 VanDerWaalsContact O-CB 3.24Å; V421-Y425 WeakPolarHBondContact O-CB 3.41Å; V421-Y425 PolarHBondContact O-N 2.79Å; S422-Y425 PolarHBondContact O-N 3.41Å; S423-Y425 VanDerWaalsContact C-N 3.33Å; S423-Y425 PolarHBondContact O-N 2.81Å; Y425-T427 PolarHBondContact O-N 2.93Å; Y425-M428 PolarHBondContact O-N 3.15Å; Y425-T429 HydrophobicContact CD2-CG2 4.1Å; Y425-T429 HydrophobicContact CE1-CG2 4.49Å; Y425-T429 HydrophobicContact CE2-CG2 3.86Å; Y425-T429 WeakPolarHBondContact O-CG2 3.5Å; Y425-T429 PolarHBondContact O-N 2.68Å; Y425-T429 PolarHBondContact O-OG1 3.49Å; Y425-F436 HydrophobicContact CE2-CD2 4.03Å; Y425-F436 HydrophobicContact CE2-CE2 4.37Å; Y425-F436 AromaticContact CZ-CD2 3.88Å; Y425-F436 WeakPolarHBondContact OH-CB 3.41Å; Y425-F436 WeakPolarHBondContact OH-CD2 3.37Å; Y425-N438 HydrophobicContact CE1-CB 4.3Å; Y425-N438 PolarHBondContact OH-ND2 3.28Å; Y425-N438 VanDerWaalsContact OH-ND2 3.09Å; Y425-I439 HydrophobicContact CD1-CD1 4.31Å
426	F	94.6	Very high	92.8	Very high	13 Å²	13	50.9 Å²	50.9	6%	0.057	28%	0.276	C	S	.	.	H	α-helix	trans	-55.6	-55.1	177.4	172.3	-108.7	0	0	0	111.2	W367 S422 S423 M428 T429 S430 I439 M453	W367-F426 AromaticContact CD1-CD1 3.77Å; W367-F426 AromaticContact CD2-CD1 3.58Å; W367-F426 HydrophobicContact CD2-CD1 3.58Å; W367-F426 AromaticContact CD2-CE1 3.53Å; W367-F426 HydrophobicContact CD2-CE1 3.53Å; W367-F426 AromaticContact CE2-CD1 3.32Å; W367-F426 AromaticContact CE2-CE1 3.42Å; W367-F426 VanDerWaalsContact CE2-CE1 3.42Å; W367-F426 HydrophobicContact CE3-CD1 4.26Å; W367-F426 AromaticContact CE3-CE1 3.72Å; W367-F426 HydrophobicContact CE3-CE1 3.72Å; W367-F426 AromaticContact CG-CD1 3.83Å; W367-F426 HydrophobicContact CG-CD1 3.83Å; W367-F426 HydrophobicContact CG-CE1 4.2Å; W367-F426 HydrophobicContact CH2-CD1 4.39Å; W367-F426 AromaticContact CH2-CE1 3.67Å; W367-F426 HydrophobicContact CH2-CE1 3.67Å; W367-F426 AromaticContact CH2-CZ 3.84Å; W367-F426 HydrophobicContact CH2-CZ 3.84Å; W367-F426 AromaticContact CZ2-CD1 3.77Å; W367-F426 HydrophobicContact CZ2-CD1 3.77Å; W367-F426 AromaticContact CZ2-CE1 3.51Å; W367-F426 HydrophobicContact CZ2-CE1 3.51Å; W367-F426 HydrophobicContact CZ2-CE2 4.39Å; W367-F426 HydrophobicContact CZ2-CG 4.32Å; W367-F426 AromaticContact CZ2-CZ 3.85Å; W367-F426 HydrophobicContact CZ2-CZ 3.85Å; W367-F426 AromaticContact CZ3-CE1 3.78Å; W367-F426 HydrophobicContact CZ3-CE1 3.78Å; W367-F426 HydrophobicContact CZ3-CZ 4.24Å; W367-F426 AromaticContact NE1-CD1 3.46Å; W367-F426 AromaticContact NE1-CG 3.94Å; S422-F426 PolarHBondContact O-N 3.03Å; S423-F426 PolarHBondContact O-N 3Å; F426-M428 PolarHBondContact O-N 3.07Å; F426-T429 PolarHBondContact O-N 3.38Å; F426-T429 VanDerWaalsContact O-N 3.13Å; F426-T429 PolarHBondContact O-OG1 3.26Å; F426-S430 PolarHBondContact O-N 3.08Å; F426-I439 HydrophobicContact CB-CB 4.2Å; F426-I439 HydrophobicContact CB-CD1 4.44Å; F426-I439 HydrophobicContact CB-CG2 4.02Å; F426-I439 HydrophobicContact CD2-CB 4.02Å; F426-I439 HydrophobicContact CD2-CG2 3.84Å; F426-I439 VanDerWaalsContact CD2-O 3.31Å; F426-I439 WeakPolarHBondContact CD2-O 3.47Å; F426-I439 WeakPolarHBondContact CE2-O 3.3Å; F426-I439 HydrophobicContact CG-CB 4.39Å; F426-I439 HydrophobicContact CG-CG2 3.96Å; F426-M453 HydrophobicContact CD1-CE 4.33Å; F426-M453 HydrophobicContact CE1-CE 3.87Å; F426-M453 HydrophobicContact CE1-SD 4.35Å
427	T	95	Very high	92.8	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-60.1	-43.5	-179.1	-61.7	0	0	0	0	112.6	A360 L363 A364 S423 Y425 T429 S430 L431 M453	A360-T427 HydrophobicContact CB-CG2 4.38Å; A360-T427 VanDerWaalsContact O-CG2 3.3Å; A360-T427 WeakPolarHBondContact O-CG2 3.36Å; L363-T427 HydrophobicContact CB-CG2 3.56Å; A364-T427 WeakPolarHBondContact CA-OG1 3.49Å; A364-T427 PolarHBondContact N-OG1 2.92Å; S423-T427 PolarHBondContact O-N 2.99Å; S423-T427 PolarHBondContact O-OG1 3.43Å; Y425-T427 PolarHBondContact O-N 2.93Å; T427-T429 PolarHBondContact O-N 2.97Å; T427-S430 PolarHBondContact O-N 2.67Å; T427-L431 HydrophobicContact CG2-CD1 3.74Å; T427-L431 HydrophobicContact CG2-CG 4.15Å; T427-L431 WeakPolarHBondContact O-CB 3.41Å; T427-L431 VanDerWaalsContact O-CG 3.3Å; T427-L431 WeakPolarHBondContact O-CG 3.23Å; T427-L431 PolarHBondContact O-N 2.69Å; T427-M453 HydrophobicContact CG2-CE 4.28Å; T427-M453 HydrophobicContact CG2-SD 3.92Å
428	M	94.3	Very high	92.7	Very high	70 Å²	70	49.7 Å²	49.7	35%	0.345	29%	0.286	S	S	.	.	H	α-helix	trans	-58.5	-47	174.4	-77.6	-69.7	-67.6	0	0	111.4	F356 A360 L424 Y425 F426 S430 L431 T432	F356-M428 HydrophobicContact CE1-CE 4.03Å; F356-M428 HydrophobicContact CE1-SD 4.02Å; A360-M428 HydrophobicContact CB-CG 4.22Å; A360-M428 HydrophobicContact CB-SD 3.54Å; A360-M428 VanDerWaalsContact CB-SD 3.54Å; L424-M428 HydrophobicContact CD1-CG 4.27Å; L424-M428 HydrophobicContact CG-CG 4.33Å; L424-M428 VanDerWaalsContact O-CB 3.22Å; L424-M428 WeakPolarHBondContact O-CB 3.36Å; L424-M428 WeakPolarHBondContact O-CG 3.4Å; L424-M428 PolarHBondContact O-N 3.34Å; Y425-M428 PolarHBondContact O-N 3.15Å; F426-M428 PolarHBondContact O-N 3.07Å; M428-S430 VanDerWaalsContact C-N 3.26Å; M428-S430 PolarHBondContact O-N 2.97Å; M428-L431 PolarHBondContact O-N 3.32Å; M428-T432 WeakPolarHBondContact O-CG2 3.48Å; M428-T432 PolarHBondContact O-N 3.01Å; M428-T432 PolarHBondContact O-OG1 2.99Å
429	T	94.5	Very high	92.7	Very high	13 Å²	13	48 Å²	48	8%	0.08	28%	0.275	C	S	.	.	H	α-helix	trans	-67.2	-25.8	-178.4	64.8	0	0	0	0	113.6	Y425 F426 T427 T433 I434 G435 F436	Y425-T429 HydrophobicContact CD2-CG2 4.1Å; Y425-T429 HydrophobicContact CE1-CG2 4.49Å; Y425-T429 HydrophobicContact CE2-CG2 3.86Å; Y425-T429 WeakPolarHBondContact O-CG2 3.5Å; Y425-T429 PolarHBondContact O-N 2.68Å; Y425-T429 PolarHBondContact O-OG1 3.49Å; F426-T429 PolarHBondContact O-N 3.38Å; F426-T429 VanDerWaalsContact O-N 3.13Å; F426-T429 PolarHBondContact O-OG1 3.26Å; T427-T429 PolarHBondContact O-N 2.97Å; T429-T433 PolarHBondContact O-N 3.39Å; T429-I434 PolarHBondContact O-N 3.28Å; T429-G435 PolarHBondContact O-N 2.95Å; T429-F436 HydrophobicContact CG2-CD2 3.5Å; T429-F436 HydrophobicContact CG2-CE2 3.93Å
430	S	93.9	Very high	92.6	Very high	16 Å²	16	49.6 Å²	49.6	11%	0.112	29%	0.288	C	S	.	.	H	α-helix	trans	-76.8	-48.5	171.1	-177.6	0	0	0	0	111.8	F426 T427 M428 T432 T433 M453	F426-S430 PolarHBondContact O-N 3.08Å; T427-S430 PolarHBondContact O-N 2.67Å; M428-S430 VanDerWaalsContact C-N 3.26Å; M428-S430 PolarHBondContact O-N 2.97Å; S430-T432 VanDerWaalsContact C-N 3.32Å; S430-T432 PolarHBondContact O-N 2.99Å; S430-T433 WeakPolarHBondContact O-CA 3.43Å; S430-T433 PolarHBondContact O-N 3.42Å; S430-M453 WeakPolarHBondContact CB-SD 3.28Å
431	L	93.4	Very high	92.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-66.4	-29.5	-179.6	-68	176.1	0	0	0	113.5	F356 A360 L363 T427 M428 T433 M453	F356-L431 HydrophobicContact CE2-CB 3.91Å; F356-L431 HydrophobicContact CZ-CB 3.82Å; A360-L431 HydrophobicContact CB-CD1 3.6Å; L363-L431 HydrophobicContact CD1-CD1 4.36Å; L363-L431 HydrophobicContact CD1-CD2 4.04Å; T427-L431 HydrophobicContact CG2-CD1 3.74Å; T427-L431 HydrophobicContact CG2-CG 4.15Å; T427-L431 WeakPolarHBondContact O-CB 3.41Å; T427-L431 VanDerWaalsContact O-CG 3.3Å; T427-L431 WeakPolarHBondContact O-CG 3.23Å; T427-L431 PolarHBondContact O-N 2.69Å; M428-L431 PolarHBondContact O-N 3.32Å; L431-T433 VanDerWaalsContact C-N 3.31Å; L431-M453 HydrophobicContact CD2-CG 4.13Å; L431-M453 HydrophobicContact CG-CG 4.49Å
432	T	93.2	Very high	92.3	Very high	30 Å²	30	46.8 Å²	46.8	18%	0.184	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	8.3	171.4	65.3	0	0	0	0	113.3	F356 M428 S430 I434	F356-T432 HydrophobicContact CE1-CG2 4.15Å; F356-T432 HydrophobicContact CZ-CG2 3.79Å; M428-T432 WeakPolarHBondContact O-CG2 3.48Å; M428-T432 PolarHBondContact O-N 3.01Å; M428-T432 PolarHBondContact O-OG1 2.99Å; S430-T432 VanDerWaalsContact C-N 3.32Å; S430-T432 PolarHBondContact O-N 2.99Å; T432-I434 PolarHBondContact O-N 2.63Å; T432-I434 VanDerWaalsContact O-N 3.14Å; T432-I434 VanDerWaalsContact OG1-CD1 3.27Å; T432-I434 WeakPolarHBondContact OG1-CD1 3.43Å; T432-I434 WeakPolarHBondContact OG1-CG1 3.33Å
433	T	92.7	Very high	92.2	Very high	97 Å²	97	47 Å²	47	60%	0.595	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	29	179	69.9	0	0	0	0	115.5	T429 S430 L431	T429-T433 PolarHBondContact O-N 3.39Å; S430-T433 WeakPolarHBondContact O-CA 3.43Å; S430-T433 PolarHBondContact O-N 3.42Å; L431-T433 VanDerWaalsContact C-N 3.31Å
434	I	94.8	Very high	92	Very high	98 Å²	98	52.3 Å²	52.3	50%	0.503	31%	0.307	S	S	.	.			trans	-87.6	-42.1	-179.4	-63.1	172.1	0	0	0	111.2	T429 T432 F436	T429-I434 PolarHBondContact O-N 3.28Å; T432-I434 PolarHBondContact O-N 2.63Å; T432-I434 VanDerWaalsContact O-N 3.14Å; T432-I434 VanDerWaalsContact OG1-CD1 3.27Å; T432-I434 WeakPolarHBondContact OG1-CD1 3.43Å; T432-I434 WeakPolarHBondContact OG1-CG1 3.33Å; I434-F436 HydrophobicContact CG2-CD1 3.86Å; I434-F436 HydrophobicContact CG2-CD2 3.95Å; I434-F436 HydrophobicContact CG2-CE1 3.59Å; I434-F436 HydrophobicContact CG2-CE2 3.69Å; I434-F436 HydrophobicContact CG2-CG 4.03Å; I434-F436 HydrophobicContact CG2-CZ 3.5Å; I434-F436 PolarHBondContact O-N 3.31Å
435	G	90.4	Very high	91.7	Very high	55 Å²	55	51.5 Å²	51.5	57%	0.567	31%	0.309	S	S	*	.			trans	57.3	49.4	170.2	0	0	0	0	0	116.3	T429 G437	T429-G435 PolarHBondContact O-N 2.95Å; G435-G437 PolarHBondContact O-N 3.3Å
436	F	90.4	Very high	91.6	Very high	122 Å²	122	47.7 Å²	47.7	54%	0.535	30%	0.295	S	S	.	.			trans	-57.8	-16.3	-176.1	-70	-60	0	0	0	116.3	Y425 T429 I434 N438	Y425-F436 HydrophobicContact CE2-CD2 4.03Å; Y425-F436 HydrophobicContact CE2-CE2 4.37Å; Y425-F436 AromaticContact CZ-CD2 3.88Å; Y425-F436 WeakPolarHBondContact OH-CB 3.41Å; Y425-F436 WeakPolarHBondContact OH-CD2 3.37Å; T429-F436 HydrophobicContact CG2-CD2 3.5Å; T429-F436 HydrophobicContact CG2-CE2 3.93Å; I434-F436 HydrophobicContact CG2-CD1 3.86Å; I434-F436 HydrophobicContact CG2-CD2 3.95Å; I434-F436 HydrophobicContact CG2-CE1 3.59Å; I434-F436 HydrophobicContact CG2-CE2 3.69Å; I434-F436 HydrophobicContact CG2-CG 4.03Å; I434-F436 HydrophobicContact CG2-CZ 3.5Å; I434-F436 PolarHBondContact O-N 3.31Å; F436-N438 VanDerWaalsContact C-N 3.26Å; F436-N438 PolarHBondContact O-N 2.84Å; F436-N438 VanDerWaalsContact O-N 3.16Å
437	G	85.7	Confident	91.5	Very high	51 Å²	51	51.1 Å²	51.1	53%	0.526	31%	0.309	S	S	.	.	S	Bend	trans	77.5	-10.6	175.6	0	0	0	0	0	117	G435 I439	G435-G437 PolarHBondContact O-N 3.3Å; G437-I439 PolarHBondContact O-N 3.47Å; G437-I439 VanDerWaalsContact O-N 3.14Å
438	N	86.3	Confident	91.5	Very high	130 Å²	130	57.1 Å²	57.1	70%	0.695	34%	0.34	S	S	*	.	S	Bend	trans	-58.2	-25.3	176.9	-66.8	-27	0	0	0	114.2	Y425 F436	Y425-N438 HydrophobicContact CE1-CB 4.3Å; Y425-N438 PolarHBondContact OH-ND2 3.28Å; Y425-N438 VanDerWaalsContact OH-ND2 3.09Å; F436-N438 VanDerWaalsContact C-N 3.26Å; F436-N438 PolarHBondContact O-N 2.84Å; F436-N438 VanDerWaalsContact O-N 3.16Å
439	I	89.6	Confident	91.5	Very high	21 Å²	21	55.2 Å²	55.2	11%	0.108	33%	0.33	C	S	.	.	S	Bend	trans	-132.6	131.9	166.8	-61.1	174.9	0	0	0	104.5	W367 W388 L392 S422 Y425 F426 G437	W367-I439 HydrophobicContact CZ2-CG2 4.17Å; W388-I439 HydrophobicContact CB-CG2 4.29Å; W388-I439 HydrophobicContact CD2-CG2 4.33Å; W388-I439 HydrophobicContact CE3-CG2 3.72Å; W388-I439 HydrophobicContact CZ3-CD1 4.47Å; W388-I439 HydrophobicContact CZ3-CG2 4.47Å; L392-I439 HydrophobicContact CD1-CD1 4.29Å; S422-I439 WeakPolarHBondContact O-CD1 3.23Å; Y425-I439 HydrophobicContact CD1-CD1 4.31Å; F426-I439 HydrophobicContact CB-CB 4.2Å; F426-I439 HydrophobicContact CB-CD1 4.44Å; F426-I439 HydrophobicContact CB-CG2 4.02Å; F426-I439 HydrophobicContact CD2-CB 4.02Å; F426-I439 HydrophobicContact CD2-CG2 3.84Å; F426-I439 VanDerWaalsContact CD2-O 3.31Å; F426-I439 WeakPolarHBondContact CD2-O 3.47Å; F426-I439 WeakPolarHBondContact CE2-O 3.3Å; F426-I439 HydrophobicContact CG-CB 4.39Å; F426-I439 HydrophobicContact CG-CG2 3.96Å; G437-I439 PolarHBondContact O-N 3.47Å; G437-I439 VanDerWaalsContact O-N 3.14Å
440	A	89	Confident	91.4	Very high	39 Å²	39	55 Å²	55	32%	0.322	33%	0.329	S	S	.	.			trans	-146.3	153.1	-174.7	0	0	0	0	0	110.8
441	P	92.3	Very high	91.5	Very high	44 Å²	44	58.9 Å²	58.9	29%	0.286	35%	0.352	S	S	.	.			trans	-75.5	135	173.6	31.6	-35.8	0	0	0	112	W367 E446 K447 S450	W367-P441 HydrophobicContact CH2-CB 4.12Å; P441-E446 VanDerWaalsContact CB-C 3.49Å; P441-E446 HydrophobicContact CB-CB 3.71Å; P441-E446 WeakPolarHBondContact CB-O 3.48Å; P441-K447 HydrophobicContact CB-CG 4.16Å; P441-S450 WeakPolarHBondContact CB-OG 3.3Å; P441-S450 WeakPolarHBondContact CG-OG 3.45Å
442	T	90.1	Very high	91.5	Very high	42 Å²	42	61.4 Å²	61.4	26%	0.258	37%	0.372	S	S	.	.			trans	-129.3	-40	-170.4	60.1	0	0	0	0	112.2	D386 E446 K447	D386-T442 PolarHBondContact O-OG1 2.78Å; T442-E446 PolarHBondContact N-OE2 3.31Å; T442-E446 PolarHBondContact OG1-OE2 3.4Å; T442-K447 WeakPolarHBondContact O-CE 3.44Å; T442-K447 PolarHBondContact O-NZ 3.07Å
443	T	90.6	Very high	91.5	Very high	22 Å²	22	60 Å²	60	14%	0.135	36%	0.364	C	S	.	.	S	Bend	trans	-81.5	166.3	171.6	75.8	0	0	0	0	110.5	E374 E446 K447	E374-T443 WeakPolarHBondContact OE2-CB 3.23Å; E374-T443 VanDerWaalsContact OE2-CG2 3.27Å; E374-T443 WeakPolarHBondContact OE2-CG2 3.33Å; E374-T443 PolarHBondContact OE2-OG1 2.91Å; T443-E446 HydrophobicContact CG2-CG 4.5Å; T443-E446 PolarHBondContact N-OE2 2.74Å; T443-E446 VanDerWaalsContact N-OE2 3.15Å; T443-E446 VanDerWaalsContact OG1-CB 3.3Å; T443-E446 WeakPolarHBondContact OG1-CB 3.34Å; T443-E446 WeakPolarHBondContact OG1-CG 3.28Å; T443-E446 PolarHBondContact OG1-N 3.01Å; T443-E446 VanDerWaalsContact OG1-N 3.13Å; T443-K447 WeakPolarHBondContact O-CB 3.21Å; T443-K447 WeakPolarHBondContact O-CD 3.48Å; T443-K447 WeakPolarHBondContact O-CE 3.37Å; T443-K447 WeakPolarHBondContact O-CG 3.11Å; T443-K447 PolarHBondContact O-N 2.68Å
444	D	90.3	Very high	91.6	Very high	111 Å²	111	60.9 Å²	60.9	59%	0.594	36%	0.363	S	S	*	.	H	α-helix	trans	-75.7	-29.4	-178.8	-61	-29.7	0	0	0	112.6	K447 I448	D444-K447 PolarHBondContact O-N 2.74Å; D444-K447 IonicContact OD1-NZ 3.45Å; D444-K447 PolarHBondContact OD1-NZ 3.26Å; D444-I448 WeakPolarHBondContact O-CB 3.44Å; D444-I448 WeakPolarHBondContact O-CD1 3.48Å; D444-I448 WeakPolarHBondContact O-CG1 3.38Å; D444-I448 PolarHBondContact O-N 3.27Å
445	G	88.9	Confident	91.6	Very high	28 Å²	28	61.8 Å²	61.8	29%	0.289	37%	0.366	S	S	.	.	H	α-helix	trans	-64.6	-48.5	169.7	0	0	0	0	0	112	K447 I448 F449	G445-K447 VanDerWaalsContact C-N 3.32Å; G445-K447 PolarHBondContact O-N 2.76Å; G445-I448 PolarHBondContact O-N 3.38Å; G445-F449 WeakPolarHBondContact O-CB 3.37Å; G445-F449 PolarHBondContact O-N 2.95Å
446	E	92.8	Very high	91.7	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-57	-42.9	173.9	-72.2	169.2	-175.8	0	0	112.1	W367 I370 S387 W388 P441 T442 T443 S450	W367-E446 HydrophobicContact CH2-CB 3.85Å; W367-E446 HydrophobicContact CH2-CG 3.87Å; W367-E446 HydrophobicContact CZ3-CB 3.85Å; W367-E446 HydrophobicContact CZ3-CG 3.96Å; I370-E446 HydrophobicContact CG2-CG 4.37Å; S387-E446 WeakPolarHBondContact CA-OE1 3.25Å; S387-E446 VanDerWaalsContact CB-OE1 3.31Å; S387-E446 WeakPolarHBondContact CB-OE1 3.5Å; S387-E446 PolarHBondContact OG-OE1 3.11Å; W388-E446 VanDerWaalsContact CD1-OE1 3.26Å; W388-E446 PolarHBondContact N-OE1 2.95Å; P441-E446 VanDerWaalsContact CB-C 3.49Å; P441-E446 HydrophobicContact CB-CB 3.71Å; P441-E446 WeakPolarHBondContact CB-O 3.48Å; T442-E446 PolarHBondContact N-OE2 3.31Å; T442-E446 PolarHBondContact OG1-OE2 3.4Å; T443-E446 HydrophobicContact CG2-CG 4.5Å; T443-E446 PolarHBondContact N-OE2 2.74Å; T443-E446 VanDerWaalsContact N-OE2 3.15Å; T443-E446 VanDerWaalsContact OG1-CB 3.3Å; T443-E446 WeakPolarHBondContact OG1-CB 3.34Å; T443-E446 WeakPolarHBondContact OG1-CG 3.28Å; T443-E446 PolarHBondContact OG1-N 3.01Å; T443-E446 VanDerWaalsContact OG1-N 3.13Å; E446-S450 VanDerWaalsContact O-CB 3.3Å; E446-S450 WeakPolarHBondContact O-CB 3.2Å; E446-S450 PolarHBondContact O-N 2.75Å; E446-S450 PolarHBondContact O-OG 3.28Å
447	K	93.6	Very high	91.8	Very high	84 Å²	84	56.4 Å²	56.4	37%	0.365	33%	0.332	S	S	.	.	H	α-helix	trans	-65.3	-49.8	178	-73.4	164.7	-153.5	149	0	112.3	P441 T442 T443 D444 G445 F449 S450 V451	P441-K447 HydrophobicContact CB-CG 4.16Å; T442-K447 WeakPolarHBondContact O-CE 3.44Å; T442-K447 PolarHBondContact O-NZ 3.07Å; T443-K447 WeakPolarHBondContact O-CB 3.21Å; T443-K447 WeakPolarHBondContact O-CD 3.48Å; T443-K447 WeakPolarHBondContact O-CE 3.37Å; T443-K447 WeakPolarHBondContact O-CG 3.11Å; T443-K447 PolarHBondContact O-N 2.68Å; D444-K447 PolarHBondContact O-N 2.74Å; D444-K447 IonicContact OD1-NZ 3.45Å; D444-K447 PolarHBondContact OD1-NZ 3.26Å; G445-K447 VanDerWaalsContact C-N 3.32Å; G445-K447 PolarHBondContact O-N 2.76Å; K447-F449 VanDerWaalsContact C-N 3.31Å; K447-F449 PolarHBondContact O-N 2.72Å; K447-S450 PolarHBondContact O-N 2.81Å; K447-S450 VanDerWaalsContact O-N 3.13Å; K447-V451 WeakPolarHBondContact O-CG2 3.38Å; K447-V451 PolarHBondContact O-N 3.27Å
448	I	94.5	Very high	92.1	Very high	127 Å²	127	56.7 Å²	56.7	65%	0.651	33%	0.326	S	S	*	.	H	α-helix	trans	-59.3	-45.7	-179.2	-71.4	164.6	0	0	0	110.2	D444 G445 S450 V451 A452	D444-I448 WeakPolarHBondContact O-CB 3.44Å; D444-I448 WeakPolarHBondContact O-CD1 3.48Å; D444-I448 WeakPolarHBondContact O-CG1 3.38Å; D444-I448 PolarHBondContact O-N 3.27Å; G445-I448 PolarHBondContact O-N 3.38Å; I448-S450 PolarHBondContact O-N 3.03Å; I448-V451 PolarHBondContact O-N 3.12Å; I448-A452 PolarHBondContact O-N 2.68Å; I448-A452 VanDerWaalsContact O-N 3.12Å
449	F	94.9	Very high	92.3	Very high	30 Å²	30	55.6 Å²	55.6	13%	0.132	32%	0.32	C	S	.	.	H	α-helix	trans	-64.4	-38.5	175.8	177.1	-105.9	0	0	0	112.6	L363 I366 W367 I370 G445 K447 A452 M453	L363-F449 HydrophobicContact CB-CZ 4.36Å; L363-F449 HydrophobicContact CD2-CE2 3.86Å; L363-F449 HydrophobicContact CD2-CZ 3.8Å; L363-F449 WeakPolarHBondContact O-CZ 3.47Å; I366-F449 HydrophobicContact CB-CE2 4.05Å; I366-F449 HydrophobicContact CB-CZ 3.86Å; I366-F449 HydrophobicContact CG2-CD2 4.06Å; I366-F449 HydrophobicContact CG2-CE1 4.46Å; I366-F449 HydrophobicContact CG2-CE2 3.38Å; I366-F449 HydrophobicContact CG2-CZ 3.6Å; W367-F449 HydrophobicContact CB-CE1 4Å; W367-F449 AromaticContact CE3-CD1 3.62Å; W367-F449 HydrophobicContact CE3-CD1 3.62Å; W367-F449 AromaticContact CE3-CE1 3.85Å; W367-F449 HydrophobicContact CE3-CE1 3.85Å; W367-F449 HydrophobicContact CZ3-CD1 4.15Å; I370-F449 HydrophobicContact CD1-CB 3.72Å; I370-F449 HydrophobicContact CD1-CD1 3.73Å; I370-F449 HydrophobicContact CD1-CD2 3.8Å; I370-F449 HydrophobicContact CD1-CE1 4.24Å; I370-F449 HydrophobicContact CD1-CE2 4.35Å; I370-F449 HydrophobicContact CD1-CG 3.45Å; I370-F449 VanDerWaalsContact CD1-CG 3.45Å; G445-F449 WeakPolarHBondContact O-CB 3.37Å; G445-F449 PolarHBondContact O-N 2.95Å; K447-F449 VanDerWaalsContact C-N 3.31Å; K447-F449 PolarHBondContact O-N 2.72Å; F449-A452 PolarHBondContact O-N 2.72Å; F449-M453 HydrophobicContact CD1-CE 3.91Å; F449-M453 HydrophobicContact CE1-CE 3.21Å; F449-M453 HydrophobicContact CZ-CE 3.82Å; F449-M453 WeakPolarHBondContact O-CB 3.34Å; F449-M453 PolarHBondContact O-N 3.38Å
450	S	93.1	Very high	92.4	Very high	7 Å²	7	56.5 Å²	56.5	5%	0.049	32%	0.324	C	S	.	.	H	α-helix	trans	-66.4	-38.9	177.1	-61.3	0	0	0	0	112.7	P441 E446 K447 I448 A452 M453 M454	P441-S450 WeakPolarHBondContact CB-OG 3.3Å; P441-S450 WeakPolarHBondContact CG-OG 3.45Å; E446-S450 VanDerWaalsContact O-CB 3.3Å; E446-S450 WeakPolarHBondContact O-CB 3.2Å; E446-S450 PolarHBondContact O-N 2.75Å; E446-S450 PolarHBondContact O-OG 3.28Å; K447-S450 PolarHBondContact O-N 2.81Å; K447-S450 VanDerWaalsContact O-N 3.13Å; I448-S450 PolarHBondContact O-N 3.03Å; S450-A452 VanDerWaalsContact C-N 3.35Å; S450-A452 PolarHBondContact O-N 2.92Å; S450-M453 WeakPolarHBondContact O-CB 3.35Å; S450-M453 PolarHBondContact O-N 3.38Å; S450-M454 VanDerWaalsContact O-CG 3.29Å; S450-M454 WeakPolarHBondContact O-CG 3.46Å; S450-M454 PolarHBondContact O-N 3.12Å
451	V	94.6	Very high	92.4	Very high	99 Å²	99	58.5 Å²	58.5	60%	0.6	32%	0.324	S	S	*	.	H	α-helix	trans	-61.9	-42.9	173	171.3	0	0	0	0	111	K447 I448 M454 M455	K447-V451 WeakPolarHBondContact O-CG2 3.38Å; K447-V451 PolarHBondContact O-N 3.27Å; I448-V451 PolarHBondContact O-N 3.12Å; V451-M454 PolarHBondContact O-N 2.96Å; V451-M455 PolarHBondContact O-N 3.28Å
452	A	94.4	Very high	92.5	Very high	52 Å²	52	59.4 Å²	59.4	43%	0.43	34%	0.336	S	S	.	.	H	α-helix	trans	-63.7	-42	174.3	0	0	0	0	0	112.2	I448 F449 S450 M455 V456	I448-A452 PolarHBondContact O-N 2.68Å; I448-A452 VanDerWaalsContact O-N 3.12Å; F449-A452 PolarHBondContact O-N 2.72Å; S450-A452 VanDerWaalsContact C-N 3.35Å; S450-A452 PolarHBondContact O-N 2.92Å; A452-M455 PolarHBondContact O-N 3.13Å; A452-V456 WeakPolarHBondContact O-CG2 3.38Å; A452-V456 PolarHBondContact O-N 3.07Å
453	M	93.5	Very high	92.4	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.005	34%	0.343	C	S	.	.	H	α-helix	trans	-61.3	-44.1	176.1	-172.9	-169.1	-57.7	0	0	111.9	L363 F426 T427 S430 L431 F449 S450 V456 G457	L363-M453 HydrophobicContact CD1-CG 4.21Å; F426-M453 HydrophobicContact CD1-CE 4.33Å; F426-M453 HydrophobicContact CE1-CE 3.87Å; F426-M453 HydrophobicContact CE1-SD 4.35Å; T427-M453 HydrophobicContact CG2-CE 4.28Å; T427-M453 HydrophobicContact CG2-SD 3.92Å; S430-M453 WeakPolarHBondContact CB-SD 3.28Å; L431-M453 HydrophobicContact CD2-CG 4.13Å; L431-M453 HydrophobicContact CG-CG 4.49Å; F449-M453 HydrophobicContact CD1-CE 3.91Å; F449-M453 HydrophobicContact CE1-CE 3.21Å; F449-M453 HydrophobicContact CZ-CE 3.82Å; F449-M453 WeakPolarHBondContact O-CB 3.34Å; F449-M453 PolarHBondContact O-N 3.38Å; S450-M453 WeakPolarHBondContact O-CB 3.35Å; S450-M453 PolarHBondContact O-N 3.38Å; M453-V456 PolarHBondContact O-N 3.39Å; M453-G457 PolarHBondContact O-N 2.95Å
454	M	94.2	Very high	92.4	Very high	115 Å²	115	60.7 Å²	60.7	57%	0.567	34%	0.342	S	S	*	.	H	α-helix	trans	-64.2	-40.6	177.2	-71.6	172.4	69.9	0	0	111.8	S450 V451 G457 S458	S450-M454 VanDerWaalsContact O-CG 3.29Å; S450-M454 WeakPolarHBondContact O-CG 3.46Å; S450-M454 PolarHBondContact O-N 3.12Å; V451-M454 PolarHBondContact O-N 2.96Å; M454-G457 PolarHBondContact O-N 2.69Å; M454-S458 WeakPolarHBondContact O-CB 3.27Å; M454-S458 PolarHBondContact O-N 3.48Å
455	M	94.4	Very high	92.3	Very high	117 Å²	117	60.5 Å²	60.5	58%	0.576	34%	0.337	S	S	*	.	H	α-helix	trans	-61.1	-52.2	175.4	-173.2	62	66.8	0	0	111.4	V451 A452 G457 S458 L459	V451-M455 PolarHBondContact O-N 3.28Å; A452-M455 PolarHBondContact O-N 3.13Å; M455-G457 VanDerWaalsContact C-N 3.34Å; M455-G457 PolarHBondContact O-N 3.43Å; M455-S458 PolarHBondContact O-N 2.82Å; M455-S458 PolarHBondContact O-OG 3.31Å; M455-L459 PolarHBondContact O-N 3.36Å
456	V	91.9	Very high	92.4	Very high	64 Å²	64	60.8 Å²	60.8	39%	0.388	34%	0.339	S	S	.	.	H	α-helix	trans	-61.4	-41.8	177.4	171.3	0	0	0	0	111.6	A452 M453 L459 L460	A452-V456 WeakPolarHBondContact O-CG2 3.38Å; A452-V456 PolarHBondContact O-N 3.07Å; M453-V456 PolarHBondContact O-N 3.39Å; V456-L459 PolarHBondContact O-N 3.01Å; V456-L460 HydrophobicContact CG1-CD1 3.75Å; V456-L460 HydrophobicContact CG1-CG 4.37Å; V456-L460 WeakPolarHBondContact O-CG 3.33Å; V456-L460 PolarHBondContact O-N 2.6Å
457	G	92.4	Very high	92.1	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-59.1	-47.6	176.3	0	0	0	0	0	112.8	M453 M454 M455 L459 L460 Y461	M453-G457 PolarHBondContact O-N 2.95Å; M454-G457 PolarHBondContact O-N 2.69Å; M455-G457 VanDerWaalsContact C-N 3.34Å; M455-G457 PolarHBondContact O-N 3.43Å; G457-L459 VanDerWaalsContact C-N 3.31Å; G457-L459 PolarHBondContact O-N 3.43Å; G457-L460 PolarHBondContact O-N 3.47Å; G457-Y461 WeakPolarHBondContact O-CB 3.47Å; G457-Y461 PolarHBondContact O-N 2.73Å
458	S	92.6	Very high	91.9	Very high	57 Å²	57	61.2 Å²	61.2	40%	0.399	35%	0.347	S	S	.	.	H	α-helix	trans	-58.1	-41.7	179.5	74.4	0	0	0	0	112.8	M454 M455 A462	M454-S458 WeakPolarHBondContact O-CB 3.27Å; M454-S458 PolarHBondContact O-N 3.48Å; M455-S458 PolarHBondContact O-N 2.82Å; M455-S458 PolarHBondContact O-OG 3.31Å; S458-A462 VanDerWaalsContact O-CB 3.27Å; S458-A462 WeakPolarHBondContact O-CB 3.38Å; S458-A462 PolarHBondContact O-N 2.76Å
459	L	91.9	Very high	91.7	Very high	107 Å²	107	58.3 Å²	58.3	56%	0.56	34%	0.335	S	S	*	.	H	α-helix	trans	-70.3	-43.1	179.1	-66.9	170.4	0	0	0	112.3	M455 V456 G457 T463	M455-L459 PolarHBondContact O-N 3.36Å; V456-L459 PolarHBondContact O-N 3.01Å; G457-L459 VanDerWaalsContact C-N 3.31Å; G457-L459 PolarHBondContact O-N 3.43Å; L459-T463 WeakPolarHBondContact O-CB 3.48Å; L459-T463 PolarHBondContact O-N 2.88Å; L459-T463 PolarHBondContact O-OG1 2.97Å
460	L	89.6	Confident	91.3	Very high	40 Å²	40	60.7 Å²	60.7	21%	0.209	35%	0.352	C	S	.	.	H	α-helix	trans	-66.7	-44.1	176.8	-71.2	173.3	0	0	0	111.7	V359 V456 G457 T463 I464	V359-L460 HydrophobicContact CB-CD1 4.19Å; V359-L460 HydrophobicContact CG1-CD1 3.69Å; V359-L460 HydrophobicContact CG2-CD1 4.3Å; V456-L460 HydrophobicContact CG1-CD1 3.75Å; V456-L460 HydrophobicContact CG1-CG 4.37Å; V456-L460 WeakPolarHBondContact O-CG 3.33Å; V456-L460 PolarHBondContact O-N 2.6Å; G457-L460 PolarHBondContact O-N 3.47Å; L460-T463 WeakPolarHBondContact O-CB 3.28Å; L460-T463 PolarHBondContact O-N 3.34Å; L460-I464 WeakPolarHBondContact O-CD1 3.34Å; L460-I464 VanDerWaalsContact O-CG1 3.28Å; L460-I464 WeakPolarHBondContact O-CG1 3.37Å; L460-I464 PolarHBondContact O-N 3.49Å
461	Y	91.1	Very high	91	Very high	82 Å²	82	62 Å²	62	32%	0.322	36%	0.358	S	S	.	.	H	α-helix	trans	-62.5	-45.9	178	-165.7	-95.2	0	0	0	111.4	G457 T463 I464 F465	G457-Y461 WeakPolarHBondContact O-CB 3.47Å; G457-Y461 PolarHBondContact O-N 2.73Å; Y461-T463 VanDerWaalsContact C-N 3.31Å; Y461-T463 PolarHBondContact O-N 3.23Å; Y461-I464 PolarHBondContact O-N 3.03Å; Y461-F465 AromaticContact CD1-CD2 3.96Å; Y461-F465 HydrophobicContact CD1-CD2 3.96Å; Y461-F465 HydrophobicContact CD1-CE2 4.14Å; Y461-F465 HydrophobicContact CD2-CE2 4.24Å; Y461-F465 AromaticContact CE1-CD2 3.73Å; Y461-F465 HydrophobicContact CE1-CD2 3.73Å; Y461-F465 AromaticContact CE1-CE2 3.53Å; Y461-F465 HydrophobicContact CE1-CE2 3.53Å; Y461-F465 HydrophobicContact CE1-CZ 4.21Å; Y461-F465 HydrophobicContact CE2-CD2 4.32Å; Y461-F465 AromaticContact CE2-CE2 3.64Å; Y461-F465 HydrophobicContact CE2-CE2 3.64Å; Y461-F465 HydrophobicContact CE2-CZ 4.5Å; Y461-F465 HydrophobicContact CG-CD2 4.36Å; Y461-F465 HydrophobicContact CG-CE2 4.46Å; Y461-F465 AromaticContact CZ-CD2 3.93Å; Y461-F465 AromaticContact CZ-CE2 3.25Å; Y461-F465 AromaticContact CZ-CZ 3.84Å; Y461-F465 WeakPolarHBondContact O-CD2 3.45Å; Y461-F465 PolarHBondContact O-N 3.41Å; Y461-F465 WeakPolarHBondContact OH-CE2 3.35Å; Y461-F465 WeakPolarHBondContact OH-CZ 3.39Å
462	A	92.6	Very high	90.6	Very high	63 Å²	63	62.6 Å²	62.6	52%	0.521	35%	0.353	S	S	.	.	H	α-helix	trans	-59.2	-40.8	172.6	0	0	0	0	0	112.3	S458 F465 G466	S458-A462 VanDerWaalsContact O-CB 3.27Å; S458-A462 WeakPolarHBondContact O-CB 3.38Å; S458-A462 PolarHBondContact O-N 2.76Å; A462-F465 PolarHBondContact O-N 2.91Å; A462-G466 PolarHBondContact O-N 3.05Å
463	T	88.9	Confident	90.3	Very high	69 Å²	69	65.7 Å²	65.7	42%	0.423	36%	0.358	S	S	.	.	H	α-helix	trans	-65.3	-38.1	177	-58.2	0	0	0	0	112.1	L459 L460 Y461 N467	L459-T463 WeakPolarHBondContact O-CB 3.48Å; L459-T463 PolarHBondContact O-N 2.88Å; L459-T463 PolarHBondContact O-OG1 2.97Å; L460-T463 WeakPolarHBondContact O-CB 3.28Å; L460-T463 PolarHBondContact O-N 3.34Å; Y461-T463 VanDerWaalsContact C-N 3.31Å; Y461-T463 PolarHBondContact O-N 3.23Å; T463-N467 PolarHBondContact O-N 3.22Å; T463-N467 PolarHBondContact O-ND2 2.7Å
464	I	90.1	Very high	89.9	Confident	22 Å²	22	71.9 Å²	71.9	11%	0.113	39%	0.387	C	S	.	.	H	α-helix	trans	-64.1	-52.8	175	-68.8	155.8	0	0	0	110.3	L352 F356 L460 Y461 G466 N467 V468	L352-I464 HydrophobicContact CD2-CB 4.37Å; L352-I464 HydrophobicContact CD2-CG1 3.91Å; L352-I464 HydrophobicContact CG-CG1 3.86Å; F356-I464 HydrophobicContact CB-CD1 3.83Å; F356-I464 HydrophobicContact CD2-CD1 3.39Å; F356-I464 HydrophobicContact CE2-CD1 4.11Å; F356-I464 HydrophobicContact CG-CD1 3.73Å; L460-I464 WeakPolarHBondContact O-CD1 3.34Å; L460-I464 VanDerWaalsContact O-CG1 3.28Å; L460-I464 WeakPolarHBondContact O-CG1 3.37Å; L460-I464 PolarHBondContact O-N 3.49Å; Y461-I464 PolarHBondContact O-N 3.03Å; I464-G466 VanDerWaalsContact C-N 3.31Å; I464-G466 PolarHBondContact O-N 3.44Å; I464-N467 PolarHBondContact O-N 2.81Å; I464-V468 HydrophobicContact CG2-CG2 4.28Å; I464-V468 WeakPolarHBondContact O-CB 3.11Å; I464-V468 VanDerWaalsContact O-CG2 3.25Å; I464-V468 WeakPolarHBondContact O-CG2 3.34Å; I464-V468 PolarHBondContact O-N 3.43Å
465	F	89.3	Confident	89.3	Confident	107 Å²	107	71.8 Å²	71.8	47%	0.469	39%	0.387	S	S	.	.	H	α-helix	trans	-65.2	-34.1	-179	-85.5	-99.6	0	0	0	112.8	Y461 A462 T469	Y461-F465 AromaticContact CD1-CD2 3.96Å; Y461-F465 HydrophobicContact CD1-CD2 3.96Å; Y461-F465 HydrophobicContact CD1-CE2 4.14Å; Y461-F465 HydrophobicContact CD2-CE2 4.24Å; Y461-F465 AromaticContact CE1-CD2 3.73Å; Y461-F465 HydrophobicContact CE1-CD2 3.73Å; Y461-F465 AromaticContact CE1-CE2 3.53Å; Y461-F465 HydrophobicContact CE1-CE2 3.53Å; Y461-F465 HydrophobicContact CE1-CZ 4.21Å; Y461-F465 HydrophobicContact CE2-CD2 4.32Å; Y461-F465 AromaticContact CE2-CE2 3.64Å; Y461-F465 HydrophobicContact CE2-CE2 3.64Å; Y461-F465 HydrophobicContact CE2-CZ 4.5Å; Y461-F465 HydrophobicContact CG-CD2 4.36Å; Y461-F465 HydrophobicContact CG-CE2 4.46Å; Y461-F465 AromaticContact CZ-CD2 3.93Å; Y461-F465 AromaticContact CZ-CE2 3.25Å; Y461-F465 AromaticContact CZ-CZ 3.84Å; Y461-F465 WeakPolarHBondContact O-CD2 3.45Å; Y461-F465 PolarHBondContact O-N 3.41Å; Y461-F465 WeakPolarHBondContact OH-CE2 3.35Å; Y461-F465 WeakPolarHBondContact OH-CZ 3.39Å; A462-F465 PolarHBondContact O-N 2.91Å; F465-T469 WeakPolarHBondContact O-CB 3.42Å; F465-T469 PolarHBondContact O-N 3.49Å; F465-T469 PolarHBondContact O-OG1 3.18Å
466	G	90.5	Very high	89	Confident	34 Å²	34	71.7 Å²	71.7	35%	0.351	38%	0.381	S	S	.	.	H	α-helix	trans	-59.8	-55.1	170.5	0	0	0	0	0	112.3	A462 I464 V468 T469 T470	A462-G466 PolarHBondContact O-N 3.05Å; I464-G466 VanDerWaalsContact C-N 3.31Å; I464-G466 PolarHBondContact O-N 3.44Å; G466-V468 PolarHBondContact O-N 2.76Å; G466-T469 WeakPolarHBondContact O-CB 3.3Å; G466-T469 PolarHBondContact O-N 2.88Å; G466-T469 VanDerWaalsContact O-N 3.17Å; G466-T470 PolarHBondContact O-N 3.48Å; G466-T470 PolarHBondContact O-OG1 2.9Å
467	N	87.1	Confident	88.8	Confident	57 Å²	57	72.8 Å²	72.8	31%	0.305	39%	0.388	S	S	.	.	H	α-helix	trans	-63.3	-41.3	179.8	-78.5	-75	0	0	0	112.7	L352 T463 I464 T469 T470 I471	L352-N467 HydrophobicContact CD2-CB 3.84Å; T463-N467 PolarHBondContact O-N 3.22Å; T463-N467 PolarHBondContact O-ND2 2.7Å; I464-N467 PolarHBondContact O-N 2.81Å; N467-T469 VanDerWaalsContact C-N 3.3Å; N467-T469 PolarHBondContact O-N 3.07Å; N467-T470 PolarHBondContact O-N 2.99Å; N467-I471 WeakPolarHBondContact O-CD1 3.24Å; N467-I471 VanDerWaalsContact O-CG1 3.25Å; N467-I471 WeakPolarHBondContact O-CG1 3.4Å; N467-I471 PolarHBondContact O-N 3.12Å
468	V	88.2	Confident	88.4	Confident	35 Å²	35	76.2 Å²	76.2	21%	0.212	41%	0.406	C	S	.	.	H	α-helix	trans	-56	-46.3	172.8	167.4	0	0	0	0	110.7	L349 I464 G466 I471 F472	L349-V468 HydrophobicContact CD1-CG2 3.52Å; I464-V468 HydrophobicContact CG2-CG2 4.28Å; I464-V468 WeakPolarHBondContact O-CB 3.11Å; I464-V468 VanDerWaalsContact O-CG2 3.25Å; I464-V468 WeakPolarHBondContact O-CG2 3.34Å; I464-V468 PolarHBondContact O-N 3.43Å; G466-V468 PolarHBondContact O-N 2.76Å; V468-I471 PolarHBondContact O-N 3.44Å; V468-F472 HydrophobicContact CG1-CD2 3.7Å; V468-F472 HydrophobicContact CG1-CE2 3.67Å; V468-F472 VanDerWaalsContact O-CD2 3.28Å; V468-F472 WeakPolarHBondContact O-CD2 3.48Å; V468-F472 PolarHBondContact O-N 3.2Å
469	T	89.6	Confident	88.2	Confident	67 Å²	67	76.3 Å²	76.3	41%	0.411	41%	0.405	S	S	.	.	H	α-helix	trans	-62.6	-46.1	178.4	-57.5	0	0	0	0	111.5	F465 G466 N467 I471 F472 Q473	F465-T469 WeakPolarHBondContact O-CB 3.42Å; F465-T469 PolarHBondContact O-N 3.49Å; F465-T469 PolarHBondContact O-OG1 3.18Å; G466-T469 WeakPolarHBondContact O-CB 3.3Å; G466-T469 PolarHBondContact O-N 2.88Å; G466-T469 VanDerWaalsContact O-N 3.17Å; N467-T469 VanDerWaalsContact C-N 3.3Å; N467-T469 PolarHBondContact O-N 3.07Å; T469-I471 VanDerWaalsContact C-N 3.34Å; T469-I471 PolarHBondContact O-N 2.92Å; T469-F472 PolarHBondContact O-N 3.14Å; T469-Q473 WeakPolarHBondContact O-CG 3.49Å; T469-Q473 PolarHBondContact O-N 3.38Å
470	T	87.8	Confident	88.1	Confident	80 Å²	80	75.5 Å²	75.5	49%	0.491	40%	0.401	S	S	.	.	H	α-helix	trans	-60.2	-41.9	176.4	-56.3	0	0	0	0	112.1	G466 N467 Q473 Q474	G466-T470 PolarHBondContact O-N 3.48Å; G466-T470 PolarHBondContact O-OG1 2.9Å; N467-T470 PolarHBondContact O-N 2.99Å; T470-Q473 PolarHBondContact O-N 3.49Å; T470-Q474 WeakPolarHBondContact O-CB 3.5Å; T470-Q474 PolarHBondContact O-N 2.94Å
471	I	86.8	Confident	88.1	Confident	33 Å²	33	81.2 Å²	81.2	17%	0.169	42%	0.42	C	S	.	.	H	α-helix	trans	-66.5	-42.2	178.6	-68.4	160.3	0	0	0	111	G345 L349 N467 V468 T469 Q474 M475	G345-I471 WeakPolarHBondContact O-CD1 3.45Å; L349-I471 HydrophobicContact CB-CD1 3.89Å; N467-I471 WeakPolarHBondContact O-CD1 3.24Å; N467-I471 VanDerWaalsContact O-CG1 3.25Å; N467-I471 WeakPolarHBondContact O-CG1 3.4Å; N467-I471 PolarHBondContact O-N 3.12Å; V468-I471 PolarHBondContact O-N 3.44Å; T469-I471 VanDerWaalsContact C-N 3.34Å; T469-I471 PolarHBondContact O-N 2.92Å; I471-Q474 PolarHBondContact O-N 2.94Å; I471-M475 WeakPolarHBondContact O-CB 3.4Å; I471-M475 PolarHBondContact O-N 3.13Å
472	F	85.9	Confident	88	Confident	112 Å²	112	78.7 Å²	78.7	49%	0.491	41%	0.41	S	S	.	.	H	α-helix	trans	-61.9	-45.5	173.1	-85.8	-64.4	0	0	0	111.9	V468 T469 Q474 M475 Y476	V468-F472 HydrophobicContact CG1-CD2 3.7Å; V468-F472 HydrophobicContact CG1-CE2 3.67Å; V468-F472 VanDerWaalsContact O-CD2 3.28Å; V468-F472 WeakPolarHBondContact O-CD2 3.48Å; V468-F472 PolarHBondContact O-N 3.2Å; T469-F472 PolarHBondContact O-N 3.14Å; F472-Q474 PolarHBondContact O-N 3.26Å; F472-M475 HydrophobicContact CD1-CE 3.84Å; F472-M475 HydrophobicContact CE1-CE 4.05Å; F472-M475 PolarHBondContact O-N 3.44Å; F472-Y476 HydrophobicContact CD1-CD2 4.39Å; F472-Y476 HydrophobicContact CD1-CE2 4.03Å; F472-Y476 WeakPolarHBondContact O-CD2 3.46Å; F472-Y476 PolarHBondContact O-N 3.46Å
473	Q	87.8	Confident	88	Confident	117 Å²	117	79.8 Å²	79.8	55%	0.547	40%	0.404	S	S	.	.	H	α-helix	trans	-58.9	-46.3	175.7	-73.2	172.8	-7	0	0	111.6	T469 T470 Y476 T477	T469-Q473 WeakPolarHBondContact O-CG 3.49Å; T469-Q473 PolarHBondContact O-N 3.38Å; T470-Q473 PolarHBondContact O-N 3.49Å; Q473-Y476 PolarHBondContact O-N 3.16Å; Q473-T477 PolarHBondContact O-N 3.2Å; Q473-T477 PolarHBondContact O-OG1 2.77Å
474	Q	85.1	Confident	88.2	Confident	131 Å²	131	82.3 Å²	82.3	61%	0.612	41%	0.411	S	S	*	.	H	α-helix	trans	-61.8	-45.1	177.7	-170.4	-179.5	17.6	0	0	111.7	T470 I471 F472 Y476 T477	T470-Q474 WeakPolarHBondContact O-CB 3.5Å; T470-Q474 PolarHBondContact O-N 2.94Å; I471-Q474 PolarHBondContact O-N 2.94Å; F472-Q474 PolarHBondContact O-N 3.26Å; Q474-Y476 PolarHBondContact O-N 3.07Å; Q474-T477 WeakPolarHBondContact O-CB 3.16Å; Q474-T477 PolarHBondContact O-N 3.1Å; Q474-T477 PolarHBondContact O-OG1 2.78Å
475	M	82.4	Confident	88.3	Confident	113 Å²	113	85 Å²	85	56%	0.557	42%	0.424	S	S	*	.	H	α-helix	trans	-62.6	-42	178.3	-174.2	178.2	72.5	0	0	112.3	I471 F472	I471-M475 WeakPolarHBondContact O-CB 3.4Å; I471-M475 PolarHBondContact O-N 3.13Å; F472-M475 HydrophobicContact CD1-CE 3.84Å; F472-M475 HydrophobicContact CE1-CE 4.05Å; F472-M475 PolarHBondContact O-N 3.44Å
476	Y	87	Confident	88.5	Confident	116 Å²	116	80.6 Å²	80.6	46%	0.455	41%	0.405	S	S	.	.	H	α-helix	trans	-83.7	-6.2	179.8	-78.5	-73.1	0	0	0	114.5	F472 Q473 Q474 N478 T479 N480	F472-Y476 HydrophobicContact CD1-CD2 4.39Å; F472-Y476 HydrophobicContact CD1-CE2 4.03Å; F472-Y476 WeakPolarHBondContact O-CD2 3.46Å; F472-Y476 PolarHBondContact O-N 3.46Å; Q473-Y476 PolarHBondContact O-N 3.16Å; Q474-Y476 PolarHBondContact O-N 3.07Å; Y476-N478 PolarHBondContact O-N 3.45Å; Y476-T479 PolarHBondContact O-N 3.35Å; Y476-N480 WeakPolarHBondContact O-CB 3.34Å; Y476-N480 VanDerWaalsContact O-CG 3.22Å; Y476-N480 PolarHBondContact O-N 2.86Å; Y476-N480 PolarHBondContact O-OD1 3.05Å
477	T	88.1	Confident	88.7	Confident	86 Å²	86	82.2 Å²	82.2	53%	0.528	41%	0.406	S	S	.	.	H	α-helix	trans	-54	-45.9	-173.9	-69.1	0	0	0	0	113.3	Q473 Q474 R481	Q473-T477 PolarHBondContact O-N 3.2Å; Q473-T477 PolarHBondContact O-OG1 2.77Å; Q474-T477 WeakPolarHBondContact O-CB 3.16Å; Q474-T477 PolarHBondContact O-N 3.1Å; Q474-T477 PolarHBondContact O-OG1 2.78Å; T477-R481 WeakPolarHBondContact O-CB 3.34Å; T477-R481 PolarHBondContact O-N 3.37Å; T477-R481 VanDerWaalsContact O-N 3.08Å
478	N	84.9	Confident	89.1	Confident	73 Å²	73	84.2 Å²	84.2	39%	0.39	42%	0.416	S	S	.	.	H	α-helix	trans	-70.5	-41.3	-178.7	-163.3	43.7	0	0	0	112.3	Y476 R481 Y482 W514 K518	Y476-N478 PolarHBondContact O-N 3.45Å; N478-R481 PolarHBondContact O-N 2.75Å; N478-Y482 PolarHBondContact O-N 2.91Å; N478-Y482 VanDerWaalsContact O-N 3.1Å; N478-W514 WeakPolarHBondContact OD1-CH2 3.25Å; N478-K518 PolarHBondContact ND2-O 3.13Å
479	T	87.5	Confident	89.5	Confident	59 Å²	59	84.2 Å²	84.2	36%	0.362	42%	0.417	S	S	.	.	H	α-helix	trans	-67.8	-38.2	178.7	-49.6	0	0	0	0	111.7	Y476 Y482 H483	Y476-T479 PolarHBondContact O-N 3.35Å; T479-Y482 WeakPolarHBondContact O-CB 3.16Å; T479-Y482 PolarHBondContact O-N 2.92Å; T479-H483 PolarHBondContact O-CD2 3.25Å; T479-H483 PolarHBondContact O-N 3.33Å
480	N	89.8	Confident	89.8	Confident	90 Å²	90	86.1 Å²	86.1	48%	0.481	42%	0.416	S	S	.	.	H	α-helix	trans	-66.8	-45	175.9	-70.2	-2.1	0	0	0	111.1	Y476 Y482 H483 E484	Y476-N480 WeakPolarHBondContact O-CB 3.34Å; Y476-N480 VanDerWaalsContact O-CG 3.22Å; Y476-N480 PolarHBondContact O-N 2.86Å; Y476-N480 PolarHBondContact O-OD1 3.05Å; N480-Y482 VanDerWaalsContact C-N 3.26Å; N480-Y482 PolarHBondContact O-N 3.31Å; N480-H483 PolarHBondContact O-N 3.29Å; N480-E484 VanDerWaalsContact O-CB 3.31Å; N480-E484 WeakPolarHBondContact O-CB 3.46Å; N480-E484 PolarHBondContact O-N 2.84Å
481	R	89.1	Confident	90.2	Very high	160 Å²	160	86.6 Å²	86.6	60%	0.604	42%	0.416	S	S	*	.	H	α-helix	trans	-55.8	-40	173.2	175.5	-177.6	168.7	88.8	0.9	112.1	T477 N478 M485	T477-R481 WeakPolarHBondContact O-CB 3.34Å; T477-R481 PolarHBondContact O-N 3.37Å; T477-R481 VanDerWaalsContact O-N 3.08Å; N478-R481 PolarHBondContact O-N 2.75Å; R481-M485 WeakPolarHBondContact O-CB 3.38Å; R481-M485 PolarHBondContact O-N 3.12Å
482	Y	89.3	Confident	90.6	Very high	28 Å²	28	90.4 Å²	90.4	11%	0.11	43%	0.431	C	S	.	.	H	α-helix	trans	-64.2	-50.3	174.3	170.7	-113.6	0	0	0	112.5	N478 T479 N480 E484 M485 L486 W514	N478-Y482 PolarHBondContact O-N 2.91Å; N478-Y482 VanDerWaalsContact O-N 3.1Å; T479-Y482 WeakPolarHBondContact O-CB 3.16Å; T479-Y482 PolarHBondContact O-N 2.92Å; N480-Y482 VanDerWaalsContact C-N 3.26Å; N480-Y482 PolarHBondContact O-N 3.31Å; Y482-E484 VanDerWaalsContact C-N 3.34Å; Y482-E484 PolarHBondContact O-N 3.07Å; Y482-M485 HydrophobicContact CD2-CE 4.01Å; Y482-M485 HydrophobicContact CE2-CE 4.44Å; Y482-M485 PolarHBondContact O-N 3.09Å; Y482-L486 HydrophobicContact CE1-CD2 4.17Å; Y482-L486 VanDerWaalsContact O-CB 3.26Å; Y482-L486 WeakPolarHBondContact O-CB 3.33Å; Y482-L486 PolarHBondContact O-N 3.5Å; Y482-W514 HydrophobicContact CD2-CB 3.98Å; Y482-W514 AromaticContact CD2-CD1 3.83Å; Y482-W514 AromaticContact CD2-CD2 3.26Å; Y482-W514 HydrophobicContact CD2-CD2 3.26Å; Y482-W514 AromaticContact CD2-CE2 3.72Å; Y482-W514 AromaticContact CD2-CE3 3.56Å; Y482-W514 HydrophobicContact CD2-CE3 3.56Å; Y482-W514 AromaticContact CD2-CG 3.41Å; Y482-W514 HydrophobicContact CD2-CG 3.41Å; Y482-W514 VanDerWaalsContact CD2-CG 3.41Å; Y482-W514 HydrophobicContact CD2-CZ2 4.4Å; Y482-W514 HydrophobicContact CD2-CZ3 4.21Å; Y482-W514 AromaticContact CD2-NE1 3.99Å; Y482-W514 HydrophobicContact CE2-CB 3.6Å; Y482-W514 AromaticContact CE2-CD1 3.82Å; Y482-W514 AromaticContact CE2-CD2 3.86Å; Y482-W514 HydrophobicContact CE2-CD2 3.86Å; Y482-W514 HydrophobicContact CE2-CE3 4.38Å; Y482-W514 AromaticContact CE2-CG 3.45Å; Y482-W514 HydrophobicContact CE2-CG 3.45Å; Y482-W514 VanDerWaalsContact CE2-CG 3.45Å; Y482-W514 AromaticContact CG-CD2 3.79Å; Y482-W514 HydrophobicContact CG-CD2 3.79Å; Y482-W514 AromaticContact CG-CE2 3.72Å; Y482-W514 HydrophobicContact CG-CE3 4.22Å; Y482-W514 HydrophobicContact CG-CG 4.12Å; Y482-W514 HydrophobicContact CG-CZ2 4.13Å; Y482-W514 AromaticContact CG-NE1 3.91Å
483	H	92.1	Very high	91.1	Very high	87 Å²	87	85.5 Å²	85.5	40%	0.403	41%	0.41	S	S	.	.	H	α-helix	trans	-65.9	-36.1	179.8	-70.9	-52.6	0	0	0	112.7	T479 N480 L486 N487	T479-H483 PolarHBondContact O-CD2 3.25Å; T479-H483 PolarHBondContact O-N 3.33Å; N480-H483 PolarHBondContact O-N 3.29Å; H483-L486 PolarHBondContact O-N 3.15Å; H483-N487 VanDerWaalsContact O-CB 3.25Å; H483-N487 WeakPolarHBondContact O-CB 3.3Å; H483-N487 PolarHBondContact O-N 3.3Å; H483-N487 PolarHBondContact O-ND2 2.82Å; H483-N487 PolarHBondContact O-OD1 2.9Å
484	E	93.8	Very high	91.5	Very high	122 Å²	122	87.5 Å²	87.5	57%	0.57	42%	0.417	S	S	*	.	H	α-helix	trans	-59.7	-52.8	172	-175.5	-175.3	178.7	0	0	111	N480 Y482 L486 N487 N488	N480-E484 VanDerWaalsContact O-CB 3.31Å; N480-E484 WeakPolarHBondContact O-CB 3.46Å; N480-E484 PolarHBondContact O-N 2.84Å; Y482-E484 VanDerWaalsContact C-N 3.34Å; Y482-E484 PolarHBondContact O-N 3.07Å; E484-L486 PolarHBondContact O-N 3.05Å; E484-N487 PolarHBondContact O-N 3.03Å; E484-N488 WeakPolarHBondContact O-CB 3.45Å; E484-N488 PolarHBondContact O-N 2.63Å; E484-N488 PolarHBondContact O-ND2 2.96Å
485	M	92.6	Very high	92	Very high	79 Å²	79	87.3 Å²	87.3	39%	0.389	42%	0.419	S	S	.	.	H	α-helix	trans	-57.6	-46.1	175.7	-178.3	-171.2	72.7	0	0	112.2	R481 Y482 N487 N488 V489 I510 W514	R481-M485 WeakPolarHBondContact O-CB 3.38Å; R481-M485 PolarHBondContact O-N 3.12Å; Y482-M485 HydrophobicContact CD2-CE 4.01Å; Y482-M485 HydrophobicContact CE2-CE 4.44Å; Y482-M485 PolarHBondContact O-N 3.09Å; M485-N487 VanDerWaalsContact C-N 3.34Å; M485-N487 PolarHBondContact O-N 3.21Å; M485-N488 PolarHBondContact O-N 3.14Å; M485-V489 WeakPolarHBondContact O-CG2 3.28Å; M485-V489 PolarHBondContact O-N 3.29Å; M485-I510 HydrophobicContact CE-CG2 3.76Å; M485-W514 HydrophobicContact CE-CE3 4.35Å
486	L	93.4	Very high	92.7	Very high	13 Å²	13	89.2 Å²	89.2	7%	0.068	42%	0.421	C	S	.	.	H	α-helix	trans	-66.6	-34.7	-179	-169.3	71.7	0	0	0	112.3	Y482 H483 E484 R490 M507 I510 V511	Y482-L486 HydrophobicContact CE1-CD2 4.17Å; Y482-L486 VanDerWaalsContact O-CB 3.26Å; Y482-L486 WeakPolarHBondContact O-CB 3.33Å; Y482-L486 PolarHBondContact O-N 3.5Å; H483-L486 PolarHBondContact O-N 3.15Å; E484-L486 PolarHBondContact O-N 3.05Å; L486-R490 WeakPolarHBondContact O-CB 3.5Å; L486-R490 PolarHBondContact O-N 3.16Å; L486-M507 HydrophobicContact CD1-CE 3.57Å; L486-M507 HydrophobicContact CD1-SD 4.11Å; L486-M507 HydrophobicContact CG-CE 3.85Å; L486-I510 HydrophobicContact CD1-CG2 3.92Å; L486-V511 HydrophobicContact CD1-CG2 4.42Å
487	N	94.8	Very high	93.1	Very high	69 Å²	69	91.9 Å²	91.9	37%	0.369	44%	0.438	S	S	.	.	H	α-helix	trans	-71.3	-47.5	174.1	-69	-13.5	0	0	0	110.9	H483 E484 M485 V489 R490 D491	H483-N487 VanDerWaalsContact O-CB 3.25Å; H483-N487 WeakPolarHBondContact O-CB 3.3Å; H483-N487 PolarHBondContact O-N 3.3Å; H483-N487 PolarHBondContact O-ND2 2.82Å; H483-N487 PolarHBondContact O-OD1 2.9Å; E484-N487 PolarHBondContact O-N 3.03Å; M485-N487 VanDerWaalsContact C-N 3.34Å; M485-N487 PolarHBondContact O-N 3.21Å; N487-V489 VanDerWaalsContact C-N 3.26Å; N487-V489 PolarHBondContact O-N 3.15Å; N487-R490 PolarHBondContact O-N 3.34Å; N487-R490 PolarHBondContact OD1-NH1 3.43Å; N487-D491 PolarHBondContact O-N 3.34Å
488	N	96.1	Very high	93.5	Very high	98 Å²	98	89.4 Å²	89.4	52%	0.524	42%	0.423	S	S	.	.	H	α-helix	trans	-55.9	-40.4	176.3	-68.7	-19.4	0	0	0	111.9	E484 M485 F492	E484-N488 WeakPolarHBondContact O-CB 3.45Å; E484-N488 PolarHBondContact O-N 2.63Å; E484-N488 PolarHBondContact O-ND2 2.96Å; M485-N488 PolarHBondContact O-N 3.14Å; N488-F492 VanDerWaalsContact O-CB 3.32Å; N488-F492 WeakPolarHBondContact O-CB 3.46Å; N488-F492 PolarHBondContact O-N 2.99Å
489	V	96.1	Very high	94	Very high	36 Å²	36	90.5 Å²	90.5	22%	0.218	43%	0.434	C	S	.	.	H	α-helix	trans	-69.7	-42	174	173.3	0	0	0	0	112	M485 N487 D491 F492 L493 V506 M507 I510	M485-V489 WeakPolarHBondContact O-CG2 3.28Å; M485-V489 PolarHBondContact O-N 3.29Å; N487-V489 VanDerWaalsContact C-N 3.26Å; N487-V489 PolarHBondContact O-N 3.15Å; V489-D491 VanDerWaalsContact C-N 3.31Å; V489-D491 PolarHBondContact O-N 2.97Å; V489-F492 WeakPolarHBondContact O-CB 3.26Å; V489-F492 PolarHBondContact O-N 3.14Å; V489-L493 HydrophobicContact CG1-CD1 3.75Å; V489-L493 HydrophobicContact CG1-CG 4.16Å; V489-L493 WeakPolarHBondContact O-CB 3.27Å; V489-L493 VanDerWaalsContact O-CG 3.23Å; V489-L493 WeakPolarHBondContact O-CG 3.5Å; V489-L493 PolarHBondContact O-N 3.02Å; V489-V506 HydrophobicContact CG1-CG1 4.16Å; V489-M507 HydrophobicContact CG1-SD 4.29Å; V489-I510 HydrophobicContact CB-CD1 4.18Å; V489-I510 HydrophobicContact CG1-CD1 3.67Å; V489-I510 HydrophobicContact CG2-CD1 4.01Å
490	R	94.8	Very high	94.2	Very high	107 Å²	107	95.7 Å²	95.7	40%	0.404	45%	0.451	S	S	.	.	H	α-helix	trans	-60.5	-41.9	176.1	-169.9	-176	-58.8	101.6	1.8	111.8	L486 N487 L493 K494 M507	L486-R490 WeakPolarHBondContact O-CB 3.5Å; L486-R490 PolarHBondContact O-N 3.16Å; N487-R490 PolarHBondContact O-N 3.34Å; N487-R490 PolarHBondContact OD1-NH1 3.43Å; R490-L493 PolarHBondContact O-N 3.32Å; R490-K494 VanDerWaalsContact O-CB 3.31Å; R490-K494 WeakPolarHBondContact O-CB 3.32Å; R490-K494 PolarHBondContact O-N 3.42Å; R490-M507 HydrophobicContact CB-CE 4.39Å; R490-M507 HydrophobicContact CB-SD 4.43Å
491	D	96.1	Very high	94.3	Very high	89 Å²	89	93.9 Å²	93.9	48%	0.476	45%	0.454	S	S	.	.	H	α-helix	trans	-72.5	-34.9	179.2	-69.5	-35.3	0	0	0	111.8	N487 V489 K494 L495	N487-D491 PolarHBondContact O-N 3.34Å; V489-D491 VanDerWaalsContact C-N 3.31Å; V489-D491 PolarHBondContact O-N 2.97Å; D491-K494 PolarHBondContact O-N 3.38Å; D491-L495 WeakPolarHBondContact O-CB 3.39Å; D491-L495 PolarHBondContact O-N 3.15Å
492	F	96.9	Very high	94.3	Very high	114 Å²	114	90.5 Å²	90.5	50%	0.5	45%	0.448	S	S	.	.	H	α-helix	trans	-58.9	-52.7	167.2	173.8	-86.9	0	0	0	112	N488 V489 K494 L495 Y496	N488-F492 VanDerWaalsContact O-CB 3.32Å; N488-F492 WeakPolarHBondContact O-CB 3.46Å; N488-F492 PolarHBondContact O-N 2.99Å; V489-F492 WeakPolarHBondContact O-CB 3.26Å; V489-F492 PolarHBondContact O-N 3.14Å; F492-K494 PolarHBondContact O-N 3Å; F492-L495 PolarHBondContact O-N 3.26Å; F492-L495 VanDerWaalsContact O-N 3.17Å; F492-Y496 HydrophobicContact CD1-CD2 4.35Å; F492-Y496 AromaticContact CD2-CD2 3.65Å; F492-Y496 HydrophobicContact CD2-CD2 3.65Å; F492-Y496 AromaticContact CD2-CE2 3.48Å; F492-Y496 HydrophobicContact CD2-CE2 3.48Å; F492-Y496 VanDerWaalsContact CD2-CE2 3.48Å; F492-Y496 HydrophobicContact CE1-CD2 4.24Å; F492-Y496 AromaticContact CE2-CD2 3.53Å; F492-Y496 HydrophobicContact CE2-CD2 3.53Å; F492-Y496 AromaticContact CE2-CE2 3.32Å; F492-Y496 HydrophobicContact CE2-CE2 3.32Å; F492-Y496 HydrophobicContact CG-CD2 4.05Å; F492-Y496 HydrophobicContact CG-CE2 4.32Å; F492-Y496 AromaticContact CZ-CD2 3.84Å; F492-Y496 HydrophobicContact CZ-CD2 3.84Å; F492-Y496 HydrophobicContact CZ-CE2 4.05Å; F492-Y496 WeakPolarHBondContact O-CD2 3.48Å; F492-Y496 PolarHBondContact O-N 2.93Å
493	L	95.9	Very high	94.4	Very high	9 Å²	9	90.5 Å²	90.5	5%	0.047	45%	0.452	C	S	.	.	H	α-helix	trans	-59.4	-35.8	-179.9	-69.2	167.9	0	0	0	111.7	V489 R490 Q497 V498 V506 M507	V489-L493 HydrophobicContact CG1-CD1 3.75Å; V489-L493 HydrophobicContact CG1-CG 4.16Å; V489-L493 WeakPolarHBondContact O-CB 3.27Å; V489-L493 VanDerWaalsContact O-CG 3.23Å; V489-L493 WeakPolarHBondContact O-CG 3.5Å; V489-L493 PolarHBondContact O-N 3.02Å; R490-L493 PolarHBondContact O-N 3.32Å; L493-Q497 PolarHBondContact O-N 3.16Å; L493-V498 HydrophobicContact CB-CB 4.46Å; L493-V498 HydrophobicContact CD2-CB 3.95Å; L493-V498 HydrophobicContact CD2-CG1 3.93Å; L493-V498 HydrophobicContact CD2-CG2 3.9Å; L493-V498 PolarHBondContact O-N 3.08Å; L493-V506 HydrophobicContact CD1-CB 4.38Å; L493-V506 HydrophobicContact CD1-CG1 4.09Å; L493-V506 HydrophobicContact CD2-CG1 4.38Å; L493-M507 HydrophobicContact CD1-CG 3.98Å; L493-M507 HydrophobicContact CD1-SD 4.08Å
494	K	95.1	Very high	94.3	Very high	159 Å²	159	91.7 Å²	91.7	69%	0.691	46%	0.458	S	S	*	.	H	α-helix	trans	-72.7	-43.3	175.3	-176.1	-177.5	174.2	-169	0	112.8	R490 D491 F492 Q497	R490-K494 VanDerWaalsContact O-CB 3.31Å; R490-K494 WeakPolarHBondContact O-CB 3.32Å; R490-K494 PolarHBondContact O-N 3.42Å; D491-K494 PolarHBondContact O-N 3.38Å; F492-K494 PolarHBondContact O-N 3Å; K494-Q497 PolarHBondContact O-N 3.28Å
495	L	96.9	Very high	94	Very high	126 Å²	126	91.3 Å²	91.3	66%	0.66	45%	0.451	S	S	*	.	H	α-helix	trans	-61.4	-45.5	179.9	178.1	63.9	0	0	0	111.6	D491 F492 Q497	D491-L495 WeakPolarHBondContact O-CB 3.39Å; D491-L495 PolarHBondContact O-N 3.15Å; F492-L495 PolarHBondContact O-N 3.26Å; F492-L495 VanDerWaalsContact O-N 3.17Å; L495-Q497 VanDerWaalsContact C-N 3.27Å; L495-Q497 PolarHBondContact O-N 2.87Å
496	Y	96.6	Very high	93.9	Very high	153 Å²	153	89.7 Å²	89.7	60%	0.6	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	9	178.4	-67.2	-77	0	0	0	113.9	F492 V498	F492-Y496 HydrophobicContact CD1-CD2 4.35Å; F492-Y496 AromaticContact CD2-CD2 3.65Å; F492-Y496 HydrophobicContact CD2-CD2 3.65Å; F492-Y496 AromaticContact CD2-CE2 3.48Å; F492-Y496 HydrophobicContact CD2-CE2 3.48Å; F492-Y496 VanDerWaalsContact CD2-CE2 3.48Å; F492-Y496 HydrophobicContact CE1-CD2 4.24Å; F492-Y496 AromaticContact CE2-CD2 3.53Å; F492-Y496 HydrophobicContact CE2-CD2 3.53Å; F492-Y496 AromaticContact CE2-CE2 3.32Å; F492-Y496 HydrophobicContact CE2-CE2 3.32Å; F492-Y496 HydrophobicContact CG-CD2 4.05Å; F492-Y496 HydrophobicContact CG-CE2 4.32Å; F492-Y496 AromaticContact CZ-CD2 3.84Å; F492-Y496 HydrophobicContact CZ-CD2 3.84Å; F492-Y496 HydrophobicContact CZ-CE2 4.05Å; F492-Y496 WeakPolarHBondContact O-CD2 3.48Å; F492-Y496 PolarHBondContact O-N 2.93Å; Y496-V498 VanDerWaalsContact C-N 3.27Å; Y496-V498 PolarHBondContact O-N 3.05Å
497	Q	96.1	Very high	93.8	Very high	173 Å²	173	90.5 Å²	90.5	81%	0.808	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	40.9	176.8	-53.9	-174.9	27.2	0	0	113.8	L493 K494 L495	L493-Q497 PolarHBondContact O-N 3.16Å; K494-Q497 PolarHBondContact O-N 3.28Å; L495-Q497 VanDerWaalsContact C-N 3.27Å; L495-Q497 PolarHBondContact O-N 2.87Å
498	V	95.6	Very high	93.5	Very high	33 Å²	33	92.3 Å²	92.3	20%	0.2	46%	0.459	C	S	.	.			trans	-63.2	133.4	-174.4	178.9	0	0	0	0	110.7	L493 Y496 K500 L502	L493-V498 HydrophobicContact CB-CB 4.46Å; L493-V498 HydrophobicContact CD2-CB 3.95Å; L493-V498 HydrophobicContact CD2-CG1 3.93Å; L493-V498 HydrophobicContact CD2-CG2 3.9Å; L493-V498 PolarHBondContact O-N 3.08Å; Y496-V498 VanDerWaalsContact C-N 3.27Å; Y496-V498 PolarHBondContact O-N 3.05Å; V498-K500 PolarHBondContact O-N 3.47Å; V498-L502 HydrophobicContact CG1-CB 4.07Å; V498-L502 HydrophobicContact CG1-CD2 3.92Å; V498-L502 HydrophobicContact CG1-CG 3.96Å
499	P	96.6	Very high	93	Very high	96 Å²	96	92 Å²	92	62%	0.623	45%	0.453	S	S	*	.			trans	-54.6	137.3	-179.1	-28.5	35.6	0	0	0	113	G501 L502 S503	P499-G501 PolarHBondContact O-N 3.16Å; P499-L502 PolarHBondContact O-N 3.35Å; P499-S503 PolarHBondContact O-N 3.33Å
500	K	91.6	Very high	92.7	Very high	168 Å²	168	91.6 Å²	91.6	73%	0.73	45%	0.449	S	S	*	.	H	α-helix	trans	-48.4	-50.6	-170.3	-70.1	-172.3	176.7	-175.4	0	114.2	V498 L502 S503 E504	V498-K500 PolarHBondContact O-N 3.47Å; K500-L502 VanDerWaalsContact C-N 3.27Å; K500-L502 PolarHBondContact O-N 2.97Å; K500-S503 CarbonylContact O-C 3.27Å; K500-S503 WeakPolarHBondContact O-CA 3.48Å; K500-S503 WeakPolarHBondContact O-CB 2.92Å; K500-S503 PolarHBondContact O-N 2.94Å; K500-E504 WeakPolarHBondContact O-CB 3.31Å; K500-E504 WeakPolarHBondContact O-CG 3.4Å; K500-E504 PolarHBondContact O-N 3.47Å
501	G	90.6	Very high	92.4	Very high	53 Å²	53	89.5 Å²	89.5	55%	0.546	45%	0.449	S	S	.	.	H	α-helix	trans	-64.4	-26.2	-179.3	0	0	0	0	0	114.8	P499 R505	P499-G501 PolarHBondContact O-N 3.16Å; G501-R505 VanDerWaalsContact O-CB 3.32Å; G501-R505 WeakPolarHBondContact O-CB 3.38Å; G501-R505 PolarHBondContact O-N 3.01Å
502	L	89.8	Confident	91.9	Very high	88 Å²	88	86.9 Å²	86.9	46%	0.461	44%	0.437	S	S	.	.	H	α-helix	trans	-80.5	-38.8	171	-179.5	58.8	0	0	0	111	V498 P499 K500 R505 V506	V498-L502 HydrophobicContact CG1-CB 4.07Å; V498-L502 HydrophobicContact CG1-CD2 3.92Å; V498-L502 HydrophobicContact CG1-CG 3.96Å; P499-L502 PolarHBondContact O-N 3.35Å; K500-L502 VanDerWaalsContact C-N 3.27Å; K500-L502 PolarHBondContact O-N 2.97Å; L502-R505 PolarHBondContact O-N 3.4Å; L502-V506 HydrophobicContact CD1-CG2 4.21Å; L502-V506 WeakPolarHBondContact O-CB 3.44Å; L502-V506 VanDerWaalsContact O-CG2 3.29Å; L502-V506 WeakPolarHBondContact O-CG2 3.24Å; L502-V506 PolarHBondContact O-N 3.49Å
503	S	91.5	Very high	91.2	Very high	29 Å²	29	84 Å²	84	20%	0.203	43%	0.429	C	S	.	.	H	α-helix	trans	-61.2	-45.7	175.3	-177.6	0	0	0	0	111.9	P499 K500 V506 M507	P499-S503 PolarHBondContact O-N 3.33Å; K500-S503 CarbonylContact O-C 3.27Å; K500-S503 WeakPolarHBondContact O-CA 3.48Å; K500-S503 WeakPolarHBondContact O-CB 2.92Å; K500-S503 PolarHBondContact O-N 2.94Å; S503-V506 PolarHBondContact O-N 3.2Å; S503-M507 WeakPolarHBondContact O-CG 3.28Å; S503-M507 PolarHBondContact O-N 3.08Å
504	E	89.9	Confident	90.8	Very high	112 Å²	112	85.9 Å²	85.9	52%	0.523	44%	0.435	S	S	.	.	H	α-helix	trans	-61.9	-50.7	175.5	-73	158.2	-168.6	0	0	110.7	K500 V506 M507 D508	K500-E504 WeakPolarHBondContact O-CB 3.31Å; K500-E504 WeakPolarHBondContact O-CG 3.4Å; K500-E504 PolarHBondContact O-N 3.47Å; E504-V506 PolarHBondContact O-N 3.25Å; E504-M507 PolarHBondContact O-N 2.98Å; E504-M507 VanDerWaalsContact O-N 3.08Å; E504-D508 PolarHBondContact O-N 3.34Å
505	R	87.4	Confident	90.4	Very high	113 Å²	113	81.6 Å²	81.6	43%	0.426	43%	0.43	S	S	.	.	H	α-helix	trans	-58.4	-40.1	176.8	-179.1	172.9	165	-136.1	-12.9	113.6	G501 L502 F509 D576	G501-R505 VanDerWaalsContact O-CB 3.32Å; G501-R505 WeakPolarHBondContact O-CB 3.38Å; G501-R505 PolarHBondContact O-N 3.01Å; L502-R505 PolarHBondContact O-N 3.4Å; R505-F509 WeakPolarHBondContact O-CB 3.19Å; R505-F509 PolarHBondContact O-N 3.47Å; R505-D576 IonicContact CZ-OD1 2.82Å; R505-D576 IonicContact NE-OD1 3.81Å; R505-D576 PolarHBondContact NE-OD1 2.89Å; R505-D576 IonicContact NH2-OD1 3.56Å; R505-D576 PolarHBondContact NH2-OD1 3.5Å
506	V	90.1	Very high	89.6	Confident	46 Å²	46	81.6 Å²	81.6	28%	0.279	43%	0.428	S	S	.	.	H	α-helix	trans	-66.2	-40.3	175.2	168	0	0	0	0	111.5	V489 L493 L502 S503 E504 I510	V489-V506 HydrophobicContact CG1-CG1 4.16Å; L493-V506 HydrophobicContact CD1-CB 4.38Å; L493-V506 HydrophobicContact CD1-CG1 4.09Å; L493-V506 HydrophobicContact CD2-CG1 4.38Å; L502-V506 HydrophobicContact CD1-CG2 4.21Å; L502-V506 WeakPolarHBondContact O-CB 3.44Å; L502-V506 VanDerWaalsContact O-CG2 3.29Å; L502-V506 WeakPolarHBondContact O-CG2 3.24Å; L502-V506 PolarHBondContact O-N 3.49Å; S503-V506 PolarHBondContact O-N 3.2Å; E504-V506 PolarHBondContact O-N 3.25Å; V506-I510 HydrophobicContact CG1-CD1 4.02Å; V506-I510 WeakPolarHBondContact O-CG1 3.28Å; V506-I510 PolarHBondContact O-N 2.93Å; V506-I510 VanDerWaalsContact O-N 3.13Å
507	M	91.4	Very high	89	Confident	30 Å²	30	76.4 Å²	76.4	15%	0.148	41%	0.414	C	S	.	.	H	α-helix	trans	-66.8	-44.9	177.4	-69.1	-70.1	-67.9	0	0	111.5	L486 V489 R490 L493 S503 E504 F509 I510 V511	L486-M507 HydrophobicContact CD1-CE 3.57Å; L486-M507 HydrophobicContact CD1-SD 4.11Å; L486-M507 HydrophobicContact CG-CE 3.85Å; V489-M507 HydrophobicContact CG1-SD 4.29Å; R490-M507 HydrophobicContact CB-CE 4.39Å; R490-M507 HydrophobicContact CB-SD 4.43Å; L493-M507 HydrophobicContact CD1-CG 3.98Å; L493-M507 HydrophobicContact CD1-SD 4.08Å; S503-M507 WeakPolarHBondContact O-CG 3.28Å; S503-M507 PolarHBondContact O-N 3.08Å; E504-M507 PolarHBondContact O-N 2.98Å; E504-M507 VanDerWaalsContact O-N 3.08Å; M507-F509 PolarHBondContact O-N 3.12Å; M507-I510 PolarHBondContact O-N 3.4Å; M507-V511 VanDerWaalsContact O-CG2 3.25Å; M507-V511 WeakPolarHBondContact O-CG2 3.4Å; M507-V511 PolarHBondContact O-N 3.36Å
508	D	88.6	Confident	88.5	Confident	107 Å²	107	75.3 Å²	75.3	57%	0.572	41%	0.406	S	S	*	.	H	α-helix	trans	-64.6	-38.9	177.8	-72.1	-21	0	0	0	112.1	E504 I510 V511 S512	E504-D508 PolarHBondContact O-N 3.34Å; D508-I510 PolarHBondContact O-N 3.44Å; D508-V511 PolarHBondContact O-N 2.82Å; D508-S512 WeakPolarHBondContact O-CB 3.33Å; D508-S512 PolarHBondContact O-N 3.1Å; D508-S512 PolarHBondContact O-OG 3.32Å
509	F	85.2	Confident	87.9	Confident	90 Å²	90	74.8 Å²	74.8	40%	0.395	41%	0.408	S	S	.	.	H	α-helix	trans	-58.8	-44.5	171.7	172.6	-98.3	0	0	0	111.9	R505 M507 S512 T513	R505-F509 WeakPolarHBondContact O-CB 3.19Å; R505-F509 PolarHBondContact O-N 3.47Å; M507-F509 PolarHBondContact O-N 3.12Å; F509-S512 PolarHBondContact O-OG 3.04Å; F509-S512 VanDerWaalsContact O-OG 3.12Å; F509-T513 WeakPolarHBondContact O-CB 3.23Å; F509-T513 PolarHBondContact O-N 3.21Å; F509-T513 PolarHBondContact O-OG1 3.41Å
510	I	89	Confident	87.5	Confident	28 Å²	28	75.2 Å²	75.2	14%	0.144	40%	0.404	C	S	.	.	H	α-helix	trans	-68.5	-40.7	178.7	-69.6	165.7	0	0	0	111.5	M485 L486 V489 V506 M507 D508 W514	M485-I510 HydrophobicContact CE-CG2 3.76Å; L486-I510 HydrophobicContact CD1-CG2 3.92Å; V489-I510 HydrophobicContact CB-CD1 4.18Å; V489-I510 HydrophobicContact CG1-CD1 3.67Å; V489-I510 HydrophobicContact CG2-CD1 4.01Å; V506-I510 HydrophobicContact CG1-CD1 4.02Å; V506-I510 WeakPolarHBondContact O-CG1 3.28Å; V506-I510 PolarHBondContact O-N 2.93Å; V506-I510 VanDerWaalsContact O-N 3.13Å; M507-I510 PolarHBondContact O-N 3.4Å; D508-I510 PolarHBondContact O-N 3.44Å; I510-W514 VanDerWaalsContact O-CB 3.3Å; I510-W514 WeakPolarHBondContact O-CB 3.25Å; I510-W514 PolarHBondContact O-N 3.47Å
511	V	90	Very high	87.3	Confident	64 Å²	64	71.1 Å²	71.1	39%	0.388	39%	0.39	S	S	.	.	H	α-helix	trans	-64.1	-47.2	177.6	172.7	0	0	0	0	111	L486 M507 D508 W514 A515	L486-V511 HydrophobicContact CD1-CG2 4.42Å; M507-V511 VanDerWaalsContact O-CG2 3.25Å; M507-V511 WeakPolarHBondContact O-CG2 3.4Å; M507-V511 PolarHBondContact O-N 3.36Å; D508-V511 PolarHBondContact O-N 2.82Å; V511-W514 PolarHBondContact O-N 2.95Å; V511-A515 WeakPolarHBondContact O-CB 3.46Å; V511-A515 PolarHBondContact O-N 2.91Å
512	S	84.3	Confident	87.1	Confident	34 Å²	34	72.8 Å²	72.8	24%	0.238	39%	0.39	C	S	.	.	H	α-helix	trans	-68.3	-42.4	178.6	55	0	0	0	0	112.6	D508 F509 W514 A515 M516	D508-S512 WeakPolarHBondContact O-CB 3.33Å; D508-S512 PolarHBondContact O-N 3.1Å; D508-S512 PolarHBondContact O-OG 3.32Å; F509-S512 PolarHBondContact O-OG 3.04Å; F509-S512 VanDerWaalsContact O-OG 3.12Å; S512-W514 VanDerWaalsContact C-N 3.33Å; S512-W514 PolarHBondContact O-N 3.27Å; S512-A515 PolarHBondContact O-N 3.45Å; S512-M516 PolarHBondContact O-N 3.44Å
513	T	83.9	Confident	87	Confident	52 Å²	52	73.5 Å²	73.5	32%	0.319	39%	0.394	S	S	.	.	H	α-helix	trans	-61.3	-40.2	174.5	-60.2	0	0	0	0	111.5	F509 S517	F509-T513 WeakPolarHBondContact O-CB 3.23Å; F509-T513 PolarHBondContact O-N 3.21Å; F509-T513 PolarHBondContact O-OG1 3.41Å; T513-S517 VanDerWaalsContact O-CB 3.3Å; T513-S517 WeakPolarHBondContact O-CB 3.19Å; T513-S517 PolarHBondContact O-N 2.93Å; T513-S517 PolarHBondContact O-OG 2.95Å
514	W	87.1	Confident	86.9	Confident	49 Å²	49	78.3 Å²	78.3	19%	0.186	41%	0.411	C	S	.	.	H	α-helix	trans	-67.2	-40.7	173.7	-176.9	-90.3	0	0	0	112.4	N478 Y482 M485 I510 V511 S512 M516 K518 G519	N478-W514 WeakPolarHBondContact OD1-CH2 3.25Å; Y482-W514 HydrophobicContact CD2-CB 3.98Å; Y482-W514 AromaticContact CD2-CD1 3.83Å; Y482-W514 AromaticContact CD2-CD2 3.26Å; Y482-W514 HydrophobicContact CD2-CD2 3.26Å; Y482-W514 AromaticContact CD2-CE2 3.72Å; Y482-W514 AromaticContact CD2-CE3 3.56Å; Y482-W514 HydrophobicContact CD2-CE3 3.56Å; Y482-W514 AromaticContact CD2-CG 3.41Å; Y482-W514 HydrophobicContact CD2-CG 3.41Å; Y482-W514 VanDerWaalsContact CD2-CG 3.41Å; Y482-W514 HydrophobicContact CD2-CZ2 4.4Å; Y482-W514 HydrophobicContact CD2-CZ3 4.21Å; Y482-W514 AromaticContact CD2-NE1 3.99Å; Y482-W514 HydrophobicContact CE2-CB 3.6Å; Y482-W514 AromaticContact CE2-CD1 3.82Å; Y482-W514 AromaticContact CE2-CD2 3.86Å; Y482-W514 HydrophobicContact CE2-CD2 3.86Å; Y482-W514 HydrophobicContact CE2-CE3 4.38Å; Y482-W514 AromaticContact CE2-CG 3.45Å; Y482-W514 HydrophobicContact CE2-CG 3.45Å; Y482-W514 VanDerWaalsContact CE2-CG 3.45Å; Y482-W514 AromaticContact CG-CD2 3.79Å; Y482-W514 HydrophobicContact CG-CD2 3.79Å; Y482-W514 AromaticContact CG-CE2 3.72Å; Y482-W514 HydrophobicContact CG-CE3 4.22Å; Y482-W514 HydrophobicContact CG-CG 4.12Å; Y482-W514 HydrophobicContact CG-CZ2 4.13Å; Y482-W514 AromaticContact CG-NE1 3.91Å; M485-W514 HydrophobicContact CE-CE3 4.35Å; I510-W514 VanDerWaalsContact O-CB 3.3Å; I510-W514 WeakPolarHBondContact O-CB 3.25Å; I510-W514 PolarHBondContact O-N 3.47Å; V511-W514 PolarHBondContact O-N 2.95Å; S512-W514 VanDerWaalsContact C-N 3.33Å; S512-W514 PolarHBondContact O-N 3.27Å; W514-M516 VanDerWaalsContact C-N 3.3Å; W514-M516 PolarHBondContact O-N 2.7Å; W514-K518 WeakPolarHBondContact O-CA 3.42Å; W514-K518 PolarHBondContact O-N 2.86Å; W514-G519 VanDerWaalsContact CH2-CA 3.42Å
515	A	85.8	Confident	87	Confident	70 Å²	70	76.4 Å²	76.4	58%	0.579	41%	0.407	S	S	*	.	H	α-helix	trans	-61.9	-37.5	177.7	0	0	0	0	0	112.6	V511 S512	V511-A515 WeakPolarHBondContact O-CB 3.46Å; V511-A515 PolarHBondContact O-N 2.91Å; S512-A515 PolarHBondContact O-N 3.45Å
516	M	81.3	Confident	87.2	Confident	126 Å²	126	72.3 Å²	72.3	62%	0.621	39%	0.393	S	S	*	.	H	α-helix	trans	-74.5	-56.3	176	-170.8	66.3	81.8	0	0	112.1	S512 W514 K518	S512-M516 PolarHBondContact O-N 3.44Å; W514-M516 VanDerWaalsContact C-N 3.3Å; W514-M516 PolarHBondContact O-N 2.7Å; M516-K518 VanDerWaalsContact C-N 3.33Å; M516-K518 PolarHBondContact O-N 3.41Å
517	S	83.3	Confident	87.2	Confident	43 Å²	43	74 Å²	74	30%	0.301	41%	0.408	S	S	.	.	H	α-helix	trans	-73.1	-20.4	-175.6	63.8	0	0	0	0	114.4	T513 G519 I520	T513-S517 VanDerWaalsContact O-CB 3.3Å; T513-S517 WeakPolarHBondContact O-CB 3.19Å; T513-S517 PolarHBondContact O-N 2.93Å; T513-S517 PolarHBondContact O-OG 2.95Å; S517-G519 PolarHBondContact O-N 3.23Å; S517-G519 VanDerWaalsContact O-N 3.14Å; S517-G519 PolarHBondContact OG-N 3.48Å; S517-I520 WeakPolarHBondContact O-CB 3.42Å; S517-I520 WeakPolarHBondContact O-CG1 3.32Å; S517-I520 PolarHBondContact O-N 2.9Å
518	K	84.5	Confident	87.2	Confident	150 Å²	150	79.1 Å²	79.1	65%	0.652	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	21.3	-170.3	-56.2	178.8	-177.1	176.2	0	113.8	N478 W514 M516	N478-K518 PolarHBondContact ND2-O 3.13Å; W514-K518 WeakPolarHBondContact O-CA 3.42Å; W514-K518 PolarHBondContact O-N 2.86Å; M516-K518 VanDerWaalsContact C-N 3.33Å; M516-K518 PolarHBondContact O-N 3.41Å
519	G	83.9	Confident	87.4	Confident	23 Å²	23	75.2 Å²	75.2	24%	0.237	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.6	10.9	-175.2	0	0	0	0	0	115.3	W514 S517	W514-G519 VanDerWaalsContact CH2-CA 3.42Å; S517-G519 PolarHBondContact O-N 3.23Å; S517-G519 VanDerWaalsContact O-N 3.14Å; S517-G519 PolarHBondContact OG-N 3.48Å
520	I	88.5	Confident	87.8	Confident	104 Å²	104	74.6 Å²	74.6	53%	0.533	42%	0.42	S	S	.	.			trans	-83.4	116.5	178.3	-56.9	174	0	0	0	109.7	S517 T522 V525	S517-I520 WeakPolarHBondContact O-CB 3.42Å; S517-I520 WeakPolarHBondContact O-CG1 3.32Å; S517-I520 PolarHBondContact O-N 2.9Å; I520-T522 PolarHBondContact O-N 3.43Å; I520-V525 HydrophobicContact CG2-CG2 3.88Å
521	D	87.1	Confident	87.9	Confident	82 Å²	82	81.3 Å²	81.3	44%	0.439	45%	0.448	S	S	.	.			trans	-75.6	106.1	169.5	176.6	-17.3	0	0	0	109.3	D523 K524 V525	D521-D523 PolarHBondContact OD1-N 2.99Å; D521-K524 HydrophobicContact CB-CB 3.95Å; D521-K524 VanDerWaalsContact OD1-CB 3.28Å; D521-K524 WeakPolarHBondContact OD1-CB 3.29Å; D521-K524 PolarHBondContact OD1-N 3.44Å; D521-K524 VanDerWaalsContact OD2-CB 3.27Å; D521-K524 WeakPolarHBondContact OD2-CB 3.46Å; D521-V525 WeakPolarHBondContact O-CG2 3.25Å; D521-V525 PolarHBondContact O-N 2.92Å; D521-V525 VanDerWaalsContact O-N 3.08Å
522	T	87.4	Confident	87.9	Confident	88 Å²	88	82.7 Å²	82.7	54%	0.54	45%	0.453	S	S	.	.	H	α-helix	trans	-63.1	-45.6	-175.6	47.1	0	0	0	0	112.1	I520 K524 V525 L526	I520-T522 PolarHBondContact O-N 3.43Å; T522-K524 PolarHBondContact O-N 3.19Å; T522-V525 PolarHBondContact O-N 2.81Å; T522-L526 WeakPolarHBondContact O-CB 3.19Å; T522-L526 VanDerWaalsContact O-CG 3.28Å; T522-L526 WeakPolarHBondContact O-CG 3.33Å; T522-L526 PolarHBondContact O-N 3.45Å
523	D	86.6	Confident	88.2	Confident	103 Å²	103	86.2 Å²	86.2	55%	0.551	47%	0.468	S	S	*	.	H	α-helix	trans	-69.8	-38.5	-173.5	-67	2.1	0	0	0	110.2	D521 L526 S527	D521-D523 PolarHBondContact OD1-N 2.99Å; D523-L526 PolarHBondContact O-N 2.89Å; D523-S527 WeakPolarHBondContact O-CB 3.46Å; D523-S527 PolarHBondContact O-N 3.46Å
524	K	89.7	Confident	88.7	Confident	130 Å²	130	86.9 Å²	86.9	57%	0.565	46%	0.464	S	S	*	.	H	α-helix	trans	-63.6	-42.8	171.2	-172.3	170.5	-176.6	173.2	0	112.4	D521 T522 S527 I528	D521-K524 HydrophobicContact CB-CB 3.95Å; D521-K524 VanDerWaalsContact OD1-CB 3.28Å; D521-K524 WeakPolarHBondContact OD1-CB 3.29Å; D521-K524 PolarHBondContact OD1-N 3.44Å; D521-K524 VanDerWaalsContact OD2-CB 3.27Å; D521-K524 WeakPolarHBondContact OD2-CB 3.46Å; T522-K524 PolarHBondContact O-N 3.19Å; K524-S527 PolarHBondContact O-N 3.34Å; K524-S527 PolarHBondContact O-OG 3.42Å; K524-I528 WeakPolarHBondContact O-CG1 3.34Å; K524-I528 PolarHBondContact O-N 2.84Å
525	V	92.3	Very high	89	Confident	73 Å²	73	85 Å²	85	44%	0.442	46%	0.459	S	S	.	.	H	α-helix	trans	-62.4	-43.6	174.5	170.1	0	0	0	0	111.5	I520 D521 T522 S527 I528 C529	I520-V525 HydrophobicContact CG2-CG2 3.88Å; D521-V525 WeakPolarHBondContact O-CG2 3.25Å; D521-V525 PolarHBondContact O-N 2.92Å; D521-V525 VanDerWaalsContact O-N 3.08Å; T522-V525 PolarHBondContact O-N 2.81Å; V525-S527 VanDerWaalsContact C-N 3.31Å; V525-S527 PolarHBondContact O-N 3.45Å; V525-I528 PolarHBondContact O-N 3.06Å; V525-C529 PolarHBondContact O-SG 2.8Å
526	L	90.3	Very high	89.4	Confident	26 Å²	26	85 Å²	85	14%	0.136	45%	0.449	C	S	.	.	H	α-helix	trans	-65.8	-32.2	176.9	-68.5	170.7	0	0	0	112.3	T522 D523 I528 C529 R534 I537	T522-L526 WeakPolarHBondContact O-CB 3.19Å; T522-L526 VanDerWaalsContact O-CG 3.28Å; T522-L526 WeakPolarHBondContact O-CG 3.33Å; T522-L526 PolarHBondContact O-N 3.45Å; D523-L526 PolarHBondContact O-N 2.89Å; L526-I528 VanDerWaalsContact C-N 3.31Å; L526-I528 PolarHBondContact O-N 3.07Å; L526-C529 WeakPolarHBondContact O-CB 3.34Å; L526-C529 PolarHBondContact O-N 3.49Å; L526-C529 VanDerWaalsContact O-N 3.14Å; L526-R534 HydrophobicContact CB-CG 4.1Å; L526-R534 HydrophobicContact CD2-CG 4.09Å; L526-R534 WeakPolarHBondContact O-CD 3.49Å; L526-I537 HydrophobicContact CD2-CB 4.13Å; L526-I537 HydrophobicContact CD2-CG2 3.64Å
527	S	90.3	Very high	90	Very high	83 Å²	83	82.1 Å²	82.1	58%	0.58	44%	0.436	S	S	*	.	H	α-helix	trans	-67.3	-26.8	176.3	78	0	0	0	0	114.1	D523 K524 V525 C529	D523-S527 WeakPolarHBondContact O-CB 3.46Å; D523-S527 PolarHBondContact O-N 3.46Å; K524-S527 PolarHBondContact O-N 3.34Å; K524-S527 PolarHBondContact O-OG 3.42Å; V525-S527 VanDerWaalsContact C-N 3.31Å; V525-S527 PolarHBondContact O-N 3.45Å; S527-C529 VanDerWaalsContact C-N 3.28Å
528	I	93.2	Very high	90.5	Very high	136 Å²	136	80.4 Å²	80.4	70%	0.697	42%	0.424	S	S	*	.	H	α-helix	trans	-72.9	-25.7	174	-64	163.6	0	0	0	110.6	K524 V525 L526	K524-I528 WeakPolarHBondContact O-CG1 3.34Å; K524-I528 PolarHBondContact O-N 2.84Å; V525-I528 PolarHBondContact O-N 3.06Å; L526-I528 VanDerWaalsContact C-N 3.31Å; L526-I528 PolarHBondContact O-N 3.07Å
529	C	91.6	Very high	91	Very high	25 Å²	25	74.9 Å²	74.9	17%	0.169	40%	0.403	C	S	.	.	S	Bend	trans	-80	138	-177.7	-62.4	0	0	0	0	112	V525 L526 S527 R534 I537	V525-C529 PolarHBondContact O-SG 2.8Å; L526-C529 WeakPolarHBondContact O-CB 3.34Å; L526-C529 PolarHBondContact O-N 3.49Å; L526-C529 VanDerWaalsContact O-N 3.14Å; S527-C529 VanDerWaalsContact C-N 3.28Å; C529-R534 HydrophobicContact CB-CB 4.09Å; C529-R534 PolarHBondContact O-NH1 2.76Å; C529-I537 HydrophobicContact CB-CD1 4.49Å
530	P	93.4	Very high	91.5	Very high	78 Å²	78	79.4 Å²	79.4	51%	0.506	42%	0.417	S	S	.	.			trans	-62.2	155.1	172.8	28.6	-34.9	0	0	0	110.5	D532 M533 R534	P530-D532 PolarHBondContact O-N 3.01Å; P530-M533 HydrophobicContact CG-CB 4.02Å; P530-M533 HydrophobicContact CG-CG 3.9Å; P530-M533 HydrophobicContact CG-SD 3.68Å; P530-M533 PolarHBondContact O-N 3.1Å; P530-R534 WeakPolarHBondContact O-CB 3.34Å; P530-R534 PolarHBondContact O-N 3.44Å
531	K	90.6	Very high	91.7	Very high	169 Å²	169	78.8 Å²	78.8	74%	0.735	42%	0.415	S	S	*	.	H	α-helix	trans	-48.5	-41.2	-170.8	-65.8	-173.6	178.8	-177.4	0	113.8	A535	K531-A535 PolarHBondContact O-N 2.92Å; K531-A535 VanDerWaalsContact O-N 3.1Å
532	D	90.1	Very high	92.1	Very high	93 Å²	93	75.1 Å²	75.1	50%	0.497	40%	0.395	S	S	.	.	H	α-helix	trans	-68.5	-58.6	-177	-156.5	74	0	0	0	111.7	P530 R534 A535 D536 R561	P530-D532 PolarHBondContact O-N 3.01Å; D532-R534 VanDerWaalsContact C-N 3.25Å; D532-R534 PolarHBondContact O-N 3.42Å; D532-A535 WeakPolarHBondContact O-CB 3.43Å; D532-A535 PolarHBondContact O-N 3.38Å; D532-D536 PolarHBondContact O-N 3.01Å; D532-D536 VanDerWaalsContact O-N 3.14Å; D532-R561 PolarHBondContact O-NH2 3.48Å; D532-R561 IonicContact OD1-CZ 2.65Å; D532-R561 IonicContact OD1-NH1 2.82Å; D532-R561 PolarHBondContact OD1-NH1 3.34Å; D532-R561 IonicContact OD1-NH2 2.78Å; D532-R561 PolarHBondContact OD1-NH2 2.93Å; D532-R561 VanDerWaalsContact OD1-NH2 3.15Å; D532-R561 IonicContact OD2-CZ 2.69Å; D532-R561 IonicContact OD2-NH1 3.19Å; D532-R561 IonicContact OD2-NH2 2.82Å; D532-R561 PolarHBondContact OD2-NH2 2.87Å
533	M	92.2	Very high	92.4	Very high	108 Å²	108	77 Å²	77	53%	0.532	39%	0.392	S	S	.	.	H	α-helix	trans	-57.9	-36.1	174.6	-65.7	178.3	67.5	0	0	112.8	P530 A535 D536 I537	P530-M533 HydrophobicContact CG-CB 4.02Å; P530-M533 HydrophobicContact CG-CG 3.9Å; P530-M533 HydrophobicContact CG-SD 3.68Å; P530-M533 PolarHBondContact O-N 3.1Å; M533-A535 VanDerWaalsContact C-N 3.34Å; M533-D536 PolarHBondContact O-N 3.42Å; M533-I537 WeakPolarHBondContact O-CD1 3.17Å; M533-I537 VanDerWaalsContact O-CG1 3.25Å; M533-I537 WeakPolarHBondContact O-CG1 3.37Å; M533-I537 PolarHBondContact O-N 3.07Å
534	R	92.8	Very high	92.6	Very high	65 Å²	65	75.7 Å²	75.7	25%	0.245	38%	0.383	C	S	.	.	H	α-helix	trans	-61.3	-45	175.1	-178.2	175.8	61.8	-112.4	10.7	110.7	L526 C529 P530 D532 D536 I537 C538	L526-R534 HydrophobicContact CB-CG 4.1Å; L526-R534 HydrophobicContact CD2-CG 4.09Å; L526-R534 WeakPolarHBondContact O-CD 3.49Å; C529-R534 HydrophobicContact CB-CB 4.09Å; C529-R534 PolarHBondContact O-NH1 2.76Å; P530-R534 WeakPolarHBondContact O-CB 3.34Å; P530-R534 PolarHBondContact O-N 3.44Å; D532-R534 VanDerWaalsContact C-N 3.25Å; D532-R534 PolarHBondContact O-N 3.42Å; R534-D536 VanDerWaalsContact C-N 3.33Å; R534-D536 PolarHBondContact O-N 2.96Å; R534-I537 PolarHBondContact O-N 3.33Å; R534-C538 WeakPolarHBondContact O-CB 3.39Å; R534-C538 PolarHBondContact O-N 2.91Å; R534-C538 PolarHBondContact O-SG 3.14Å
535	A	93.5	Very high	92.8	Very high	9 Å²	9	69.5 Å²	69.5	7%	0.074	36%	0.356	C	S	.	.	H	α-helix	trans	-60.7	-42.4	177.8	0	0	0	0	0	111.6	K531 D532 M533 C538 V539 R561 V565	K531-A535 PolarHBondContact O-N 2.92Å; K531-A535 VanDerWaalsContact O-N 3.1Å; D532-A535 WeakPolarHBondContact O-CB 3.43Å; D532-A535 PolarHBondContact O-N 3.38Å; M533-A535 VanDerWaalsContact C-N 3.34Å; A535-C538 CarbonylContact O-C 3.55Å; A535-C538 PolarHBondContact O-N 2.98Å; A535-V539 WeakPolarHBondContact O-CG2 3.25Å; A535-V539 PolarHBondContact O-N 3.29Å; A535-R561 HydrophobicContact CB-CB 4.01Å; A535-R561 HydrophobicContact CB-CG 4.11Å; A535-V565 HydrophobicContact CB-CG2 3.94Å
536	D	94.3	Very high	93	Very high	70 Å²	70	66.6 Å²	66.6	37%	0.374	34%	0.337	S	S	.	.	H	α-helix	trans	-66.8	-40.7	178.3	-63.6	-28.1	0	0	0	113.2	D532 M533 R534 C538 V539 H540 R561	D532-D536 PolarHBondContact O-N 3.01Å; D532-D536 VanDerWaalsContact O-N 3.14Å; M533-D536 PolarHBondContact O-N 3.42Å; R534-D536 VanDerWaalsContact C-N 3.33Å; R534-D536 PolarHBondContact O-N 2.96Å; D536-C538 VanDerWaalsContact C-N 3.31Å; D536-C538 PolarHBondContact O-N 3.06Å; D536-V539 PolarHBondContact O-N 3.27Å; D536-H540 WeakPolarHBondContact O-CB 3.45Å; D536-H540 PolarHBondContact O-N 3.19Å; D536-R561 IonicContact OD1-CZ 2.68Å; D536-R561 IonicContact OD1-NE 3.65Å; D536-R561 PolarHBondContact OD1-NE 3.09Å; D536-R561 IonicContact OD1-NH2 3.55Å; D536-R561 PolarHBondContact OD1-NH2 3.49Å; D536-R561 IonicContact OD2-CZ 3.22Å; D536-R561 IonicContact OD2-NH2 3.66Å; D536-R561 PolarHBondContact OD2-NH2 2.97Å
537	I	94.6	Very high	93.1	Very high	66 Å²	66	71.6 Å²	71.6	34%	0.338	36%	0.364	S	S	.	.	H	α-helix	trans	-61.7	-43.8	173	-65.7	162.7	0	0	0	109.6	L526 C529 M533 R534 V539 H540 L541	L526-I537 HydrophobicContact CD2-CB 4.13Å; L526-I537 HydrophobicContact CD2-CG2 3.64Å; C529-I537 HydrophobicContact CB-CD1 4.49Å; M533-I537 WeakPolarHBondContact O-CD1 3.17Å; M533-I537 VanDerWaalsContact O-CG1 3.25Å; M533-I537 WeakPolarHBondContact O-CG1 3.37Å; M533-I537 PolarHBondContact O-N 3.07Å; R534-I537 PolarHBondContact O-N 3.33Å; I537-V539 PolarHBondContact O-N 3.23Å; I537-H540 PolarHBondContact O-N 3.06Å; I537-L541 HydrophobicContact CG2-CD1 4.09Å; I537-L541 HydrophobicContact CG2-CG 4.44Å; I537-L541 VanDerWaalsContact O-CG 3.31Å; I537-L541 WeakPolarHBondContact O-CG 3.36Å; I537-L541 PolarHBondContact O-N 2.79Å
538	C	94.3	Very high	93.1	Very high	8 Å²	8	71.7 Å²	71.7	5%	0.054	36%	0.358	C	S	.	.	H	α-helix	trans	-64.1	-39.8	176.9	-65.2	0	0	0	0	112.2	R534 A535 D536 H540 L541 N542 A564 V565	R534-C538 WeakPolarHBondContact O-CB 3.39Å; R534-C538 PolarHBondContact O-N 2.91Å; R534-C538 PolarHBondContact O-SG 3.14Å; A535-C538 CarbonylContact O-C 3.55Å; A535-C538 PolarHBondContact O-N 2.98Å; D536-C538 VanDerWaalsContact C-N 3.31Å; D536-C538 PolarHBondContact O-N 3.06Å; C538-H540 VanDerWaalsContact C-N 3.32Å; C538-L541 PolarHBondContact O-N 3.46Å; C538-N542 WeakPolarHBondContact O-CB 3.18Å; C538-N542 PolarHBondContact O-N 3.05Å; C538-N542 PolarHBondContact O-ND2 3.41Å; C538-A564 HydrophobicContact CB-CB 3.75Å; C538-A564 WeakPolarHBondContact CB-O 3.43Å; C538-V565 HydrophobicContact CB-CG2 4.34Å
539	V	95.3	Very high	93.1	Very high	34 Å²	34	66 Å²	66	21%	0.206	33%	0.328	C	S	.	.	H	α-helix	trans	-63.8	-40.2	174.1	169.2	0	0	0	0	110.6	A535 D536 I537 N542 R543 F546 R561 A564	A535-V539 WeakPolarHBondContact O-CG2 3.25Å; A535-V539 PolarHBondContact O-N 3.29Å; D536-V539 PolarHBondContact O-N 3.27Å; I537-V539 PolarHBondContact O-N 3.23Å; V539-N542 CarbonylContact O-C 3.47Å; V539-N542 PolarHBondContact O-N 3.02Å; V539-R543 WeakPolarHBondContact O-CA 3.36Å; V539-R543 PolarHBondContact O-N 2.88Å; V539-F546 HydrophobicContact CG1-CD2 4.45Å; V539-F546 HydrophobicContact CG2-CE2 4.43Å; V539-R561 HydrophobicContact CG2-CG 3.97Å; V539-A564 HydrophobicContact CB-CB 4.36Å; V539-A564 HydrophobicContact CG2-CB 3.58Å
540	H	94.4	Very high	93.1	Very high	118 Å²	118	68.7 Å²	68.7	55%	0.546	35%	0.345	S	S	.	.	H	α-helix	trans	-67.1	-37.4	177	-171.8	92.7	0	0	0	113.3	D536 I537 C538 R543	D536-H540 WeakPolarHBondContact O-CB 3.45Å; D536-H540 PolarHBondContact O-N 3.19Å; I537-H540 PolarHBondContact O-N 3.06Å; C538-H540 VanDerWaalsContact C-N 3.32Å; H540-R543 PolarHBondContact CE1-NH1 2.82Å; H540-R543 PolarHBondContact NE2-NH1 3.28Å; H540-R543 WeakPolarHBondContact O-CB 3.28Å; H540-R543 VanDerWaalsContact O-CD 3.31Å; H540-R543 WeakPolarHBondContact O-CD 3.32Å; H540-R543 WeakPolarHBondContact O-CG 3.26Å
541	L	92.2	Very high	93.1	Very high	91 Å²	91	65 Å²	65	48%	0.476	32%	0.321	S	S	.	.	H	α-helix	trans	-65.6	-47.5	173.2	-70.7	168.7	0	0	0	110.9	I537 C538 R543	I537-L541 HydrophobicContact CG2-CD1 4.09Å; I537-L541 HydrophobicContact CG2-CG 4.44Å; I537-L541 VanDerWaalsContact O-CG 3.31Å; I537-L541 WeakPolarHBondContact O-CG 3.36Å; I537-L541 PolarHBondContact O-N 2.79Å; C538-L541 PolarHBondContact O-N 3.46Å; L541-R543 PolarHBondContact O-N 2.95Å
542	N	94.6	Very high	93.3	Very high	4 Å²	4	57.1 Å²	57.1	2%	0.021	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	5.2	-179.4	-70.5	-69.3	0	0	0	114.4	C538 V539 Q544 V545 F546 A564 F567 H640	C538-N542 WeakPolarHBondContact O-CB 3.18Å; C538-N542 PolarHBondContact O-N 3.05Å; C538-N542 PolarHBondContact O-ND2 3.41Å; V539-N542 CarbonylContact O-C 3.47Å; V539-N542 PolarHBondContact O-N 3.02Å; N542-Q544 PolarHBondContact O-N 2.87Å; N542-V545 WeakPolarHBondContact O-CB 3.47Å; N542-V545 PolarHBondContact O-N 3.46Å; N542-F546 HydrophobicContact CB-CD2 3.9Å; N542-F546 HydrophobicContact CB-CE2 3.41Å; N542-F546 VanDerWaalsContact CB-CE2 3.41Å; N542-F546 HydrophobicContact CB-CZ 3.85Å; N542-F546 PolarHBondContact O-N 3.18Å; N542-A564 PolarHBondContact ND2-O 3.32Å; N542-F567 WeakPolarHBondContact OD1-CB 3.48Å; N542-H640 PolarHBondContact OD1-ND1 3.08Å
543	R	94.1	Very high	93.2	Very high	128 Å²	128	63.2 Å²	63.2	48%	0.483	30%	0.303	S	S	.	.	H	α-helix	trans	-55.5	-30.5	-171.8	74.4	-176.5	-169.7	-128.4	-1.1	114.7	V539 H540 L541 N547	V539-R543 WeakPolarHBondContact O-CA 3.36Å; V539-R543 PolarHBondContact O-N 2.88Å; H540-R543 PolarHBondContact CE1-NH1 2.82Å; H540-R543 PolarHBondContact NE2-NH1 3.28Å; H540-R543 WeakPolarHBondContact O-CB 3.28Å; H540-R543 VanDerWaalsContact O-CD 3.31Å; H540-R543 WeakPolarHBondContact O-CD 3.32Å; H540-R543 WeakPolarHBondContact O-CG 3.26Å; L541-R543 PolarHBondContact O-N 2.95Å; R543-N547 VanDerWaalsContact O-CB 3.25Å; R543-N547 WeakPolarHBondContact O-CB 3.45Å; R543-N547 VanDerWaalsContact O-CG 3.22Å; R543-N547 PolarHBondContact O-N 3.34Å; R543-N547 PolarHBondContact O-ND2 3.47Å
544	Q	91.2	Very high	93.2	Very high	76 Å²	76	63.8 Å²	63.8	36%	0.355	31%	0.308	S	S	.	.	H	α-helix	trans	-67.5	-44.2	177.3	-63.9	-164.6	76.2	0	0	110.5	N542 F546 D548 V592	N542-Q544 PolarHBondContact O-N 2.87Å; Q544-F546 PolarHBondContact O-N 2.86Å; Q544-D548 WeakPolarHBondContact O-CB 3.28Å; Q544-D548 PolarHBondContact O-N 3.47Å; Q544-V592 HydrophobicContact CB-CG1 3.68Å; Q544-V592 HydrophobicContact CB-CG2 4.47Å; Q544-V592 VanDerWaalsContact CD-CG1 3.4Å; Q544-V592 HydrophobicContact CG-CG1 4.07Å
545	V	94.6	Very high	93.3	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-62.6	-45.8	176.9	-178.3	0	0	0	0	111.2	N542 H549 F552 F567 F590 V592 H640	N542-V545 WeakPolarHBondContact O-CB 3.47Å; N542-V545 PolarHBondContact O-N 3.46Å; V545-H549 PolarHBondContact O-CD2 2.98Å; V545-H549 PolarHBondContact O-N 3.29Å; V545-F552 HydrophobicContact CG1-CD2 4.08Å; V545-F552 HydrophobicContact CG1-CE2 3.52Å; V545-F552 HydrophobicContact CG1-CZ 4.23Å; V545-F552 WeakPolarHBondContact O-CD2 3.35Å; V545-F567 HydrophobicContact CG1-CE1 4.47Å; V545-F567 HydrophobicContact CG1-CZ 4.19Å; V545-F590 HydrophobicContact CG1-CB 4.23Å; V545-F590 HydrophobicContact CG1-CD1 3.81Å; V545-F590 HydrophobicContact CG1-CD2 4.32Å; V545-F590 HydrophobicContact CG1-CE1 4.24Å; V545-F590 HydrophobicContact CG1-CG 3.87Å; V545-F590 HydrophobicContact CG2-CB 4.11Å; V545-V592 HydrophobicContact CG2-CG2 3.55Å; V545-H640 HydrophobicContact CG2-CB 3.53Å
546	F	94.8	Very high	93.3	Very high	12 Å²	12	64.1 Å²	64.1	5%	0.053	32%	0.321	C	S	.	.	H	α-helix	trans	-74.1	-29.2	-174.8	-60.4	-38.1	0	0	0	114.5	V539 N542 Q544 F552 L560 L563 A564 F567	V539-F546 HydrophobicContact CG1-CD2 4.45Å; V539-F546 HydrophobicContact CG2-CE2 4.43Å; N542-F546 HydrophobicContact CB-CD2 3.9Å; N542-F546 HydrophobicContact CB-CE2 3.41Å; N542-F546 VanDerWaalsContact CB-CE2 3.41Å; N542-F546 HydrophobicContact CB-CZ 3.85Å; N542-F546 PolarHBondContact O-N 3.18Å; Q544-F546 PolarHBondContact O-N 2.86Å; F546-F552 HydrophobicContact CB-CB 4.43Å; F546-F552 HydrophobicContact CD1-CB 4.07Å; F546-F552 AromaticContact CD1-CD1 3.94Å; F546-F552 HydrophobicContact CD1-CD1 3.94Å; F546-F552 HydrophobicContact CD1-CD2 4.04Å; F546-F552 HydrophobicContact CD1-CE1 4.41Å; F546-F552 HydrophobicContact CD1-CE2 4.5Å; F546-F552 AromaticContact CD1-CG 3.74Å; F546-F552 HydrophobicContact CD1-CG 3.74Å; F546-F552 HydrophobicContact CE1-CD1 4.16Å; F546-F552 HydrophobicContact CE1-CE1 4.29Å; F546-F552 HydrophobicContact CE1-CG 4.4Å; F546-L560 HydrophobicContact CB-CD2 4.16Å; F546-L560 HydrophobicContact CD1-CD2 3.73Å; F546-L560 HydrophobicContact CD2-CD2 4.24Å; F546-L560 HydrophobicContact CE1-CD2 4.13Å; F546-L560 HydrophobicContact CG-CD2 3.8Å; F546-L563 HydrophobicContact CE1-CB 4.28Å; F546-L563 HydrophobicContact CE1-CD1 4.42Å; F546-L563 HydrophobicContact CZ-CB 4.16Å; F546-A564 HydrophobicContact CE2-CB 3.79Å; F546-A564 HydrophobicContact CZ-CB 3.94Å; F546-F567 HydrophobicContact CE1-CD2 4.18Å; F546-F567 AromaticContact CE1-CE2 3.79Å; F546-F567 HydrophobicContact CE1-CE2 3.79Å; F546-F567 HydrophobicContact CZ-CD2 4.02Å; F546-F567 HydrophobicContact CZ-CE2 4.11Å
547	N	92.3	Very high	93.2	Very high	130 Å²	130	65.8 Å²	65.8	70%	0.695	33%	0.33	S	S	*	.	H	α-helix	trans	-89.7	-39.5	178.6	-66.7	-19.9	0	0	0	112.7	R543	R543-N547 VanDerWaalsContact O-CB 3.25Å; R543-N547 WeakPolarHBondContact O-CB 3.45Å; R543-N547 VanDerWaalsContact O-CG 3.22Å; R543-N547 PolarHBondContact O-N 3.34Å; R543-N547 PolarHBondContact O-ND2 3.47Å
548	D	91.1	Very high	93.2	Very high	86 Å²	86	64.1 Å²	64.1	46%	0.46	33%	0.328	S	S	.	.	H	α-helix	trans	-80.4	-32	-172	-59.9	1.1	0	0	0	111.5	Q544 K610	Q544-D548 WeakPolarHBondContact O-CB 3.28Å; Q544-D548 PolarHBondContact O-N 3.47Å; D548-K610 WeakPolarHBondContact OD2-CE 3.49Å; D548-K610 IonicContact OD2-NZ 2.72Å; D548-K610 PolarHBondContact OD2-NZ 3.26Å
549	H	92.8	Very high	93.3	Very high	16 Å²	16	63.7 Å²	63.7	7%	0.074	33%	0.326	C	S	.	.			trans	-92.8	132	-178.6	-65.8	-92.3	0	0	0	114.1	V545 A551 F552 F590 G611 V613	V545-H549 PolarHBondContact O-CD2 2.98Å; V545-H549 PolarHBondContact O-N 3.29Å; H549-A551 PolarHBondContact O-N 3.42Å; H549-A551 VanDerWaalsContact O-N 3.09Å; H549-F552 HydrophobicContact CB-CD2 4.09Å; H549-F552 HydrophobicContact CB-CE2 4.38Å; H549-F552 PolarHBondContact O-N 3.39Å; H549-F590 AromaticContact CD2-CD1 3.94Å; H549-F590 AromaticContact CE1-CD1 3.83Å; H549-F590 AromaticContact NE2-CD1 3.67Å; H549-G611 PolarHBondContact CE1-O 3.22Å; H549-V613 WeakPolarHBondContact CE1-CG2 3.47Å
550	P	91.7	Very high	93.3	Very high	81 Å²	81	63.7 Å²	63.7	53%	0.526	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-14.3	-178.7	29.1	-36.7	0	0	0	114.2	F552	P550-F552 VanDerWaalsContact C-N 3.33Å; P550-F552 PolarHBondContact O-N 3.05Å
551	A	93.3	Very high	93.3	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-34.8	177.3	0	0	0	0	0	113.2	H549 F657 F661 L665	H549-A551 PolarHBondContact O-N 3.42Å; H549-A551 VanDerWaalsContact O-N 3.09Å; A551-F657 WeakPolarHBondContact O-CE2 3.33Å; A551-F661 HydrophobicContact CB-CD2 4Å; A551-F661 HydrophobicContact CB-CE2 4.18Å; A551-L665 HydrophobicContact CB-CB 3.81Å; A551-L665 HydrophobicContact CB-CD1 4.15Å; A551-L665 HydrophobicContact CB-CG 4.45Å
552	F	94.5	Very high	93.4	Very high	4 Å²	4	58.2 Å²	58.2	2%	0.018	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-12.8	-173.9	-58.1	-71	0	0	0	114	V545 F546 H549 P550 L554 A555 L560 L563 F567 F590 F657 F661	V545-F552 HydrophobicContact CG1-CD2 4.08Å; V545-F552 HydrophobicContact CG1-CE2 3.52Å; V545-F552 HydrophobicContact CG1-CZ 4.23Å; V545-F552 WeakPolarHBondContact O-CD2 3.35Å; F546-F552 HydrophobicContact CB-CB 4.43Å; F546-F552 HydrophobicContact CD1-CB 4.07Å; F546-F552 AromaticContact CD1-CD1 3.94Å; F546-F552 HydrophobicContact CD1-CD1 3.94Å; F546-F552 HydrophobicContact CD1-CD2 4.04Å; F546-F552 HydrophobicContact CD1-CE1 4.41Å; F546-F552 HydrophobicContact CD1-CE2 4.5Å; F546-F552 AromaticContact CD1-CG 3.74Å; F546-F552 HydrophobicContact CD1-CG 3.74Å; F546-F552 HydrophobicContact CE1-CD1 4.16Å; F546-F552 HydrophobicContact CE1-CE1 4.29Å; F546-F552 HydrophobicContact CE1-CG 4.4Å; H549-F552 HydrophobicContact CB-CD2 4.09Å; H549-F552 HydrophobicContact CB-CE2 4.38Å; H549-F552 PolarHBondContact O-N 3.39Å; P550-F552 VanDerWaalsContact C-N 3.33Å; P550-F552 PolarHBondContact O-N 3.05Å; F552-L554 PolarHBondContact O-N 3.3Å; F552-A555 VanDerWaalsContact O-CB 3.23Å; F552-A555 WeakPolarHBondContact O-CB 3.42Å; F552-A555 PolarHBondContact O-N 2.89Å; F552-L560 HydrophobicContact CB-CD2 4.21Å; F552-L563 HydrophobicContact CD1-CD1 3.86Å; F552-L563 HydrophobicContact CE1-CD1 3.75Å; F552-F567 HydrophobicContact CZ-CE2 4.45Å; F552-F567 HydrophobicContact CZ-CZ 4.16Å; F552-F590 HydrophobicContact CE2-CD1 4.4Å; F552-F590 AromaticContact CE2-CE1 3.67Å; F552-F590 HydrophobicContact CE2-CE1 3.67Å; F552-F590 AromaticContact CE2-CZ 3.89Å; F552-F590 HydrophobicContact CE2-CZ 3.89Å; F552-F590 AromaticContact CZ-CE1 3.98Å; F552-F590 HydrophobicContact CZ-CE1 3.98Å; F552-F590 HydrophobicContact CZ-CE2 4.44Å; F552-F590 AromaticContact CZ-CZ 3.69Å; F552-F590 HydrophobicContact CZ-CZ 3.69Å; F552-F657 HydrophobicContact CD1-CZ 4.04Å; F552-F661 HydrophobicContact CD1-CE2 4.4Å; F552-F661 HydrophobicContact CE1-CD2 4.24Å; F552-F661 AromaticContact CE1-CE2 3.61Å; F552-F661 HydrophobicContact CE1-CE2 3.61Å; F552-F661 AromaticContact CZ-CE2 3.78Å; F552-F661 HydrophobicContact CZ-CE2 3.78Å
553	R	89.6	Confident	93.5	Very high	222 Å²	222	58 Å²	58	84%	0.838	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-18.7	-179.8	-174.2	173.5	176.3	-172.2	-0.4	114.7
554	L	91.4	Very high	93.5	Very high	119 Å²	119	51.9 Å²	51.9	62%	0.623	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	10.2	176.3	-70.6	170.7	0	0	0	113.4	F552 S660	F552-L554 PolarHBondContact O-N 3.3Å; L554-S660 WeakPolarHBondContact CD1-OG 3.43Å
555	A	93.8	Very high	93.6	Very high	19 Å²	19	51.2 Å²	51.2	16%	0.157	28%	0.275	C	S	.	.			trans	-72.8	144.8	171.9	0	0	0	0	0	110.7	F552 C559 L560 F657	F552-A555 VanDerWaalsContact O-CB 3.23Å; F552-A555 WeakPolarHBondContact O-CB 3.42Å; F552-A555 PolarHBondContact O-N 2.89Å; A555-C559 HydrophobicContact CB-CB 4.36Å; A555-L560 HydrophobicContact CB-CD2 3.61Å; A555-L560 HydrophobicContact CB-CG 3.73Å; A555-F657 HydrophobicContact CB-CD2 3.94Å; A555-F657 HydrophobicContact CB-CE2 3.58Å; A555-F657 HydrophobicContact CB-CZ 4.02Å
556	S	94.8	Very high	93.6	Very high	62 Å²	62	53.3 Å²	53.3	43%	0.434	29%	0.285	S	S	.	.			trans	-74.9	155.9	165.4	61.4	0	0	0	0	110.5	G558 C559 L560	S556-G558 VanDerWaalsContact C-N 3.31Å; S556-G558 PolarHBondContact O-N 3.27Å; S556-C559 CarbonylContact O-C 3.54Å; S556-C559 WeakPolarHBondContact O-CA 3.31Å; S556-C559 VanDerWaalsContact O-CB 3.3Å; S556-C559 WeakPolarHBondContact O-CB 3.16Å; S556-C559 PolarHBondContact O-N 3.47Å; S556-C559 WeakPolarHBondContact OG-CB 3.49Å; S556-C559 PolarHBondContact OG-N 3.05Å; S556-L560 PolarHBondContact O-N 3.34Å
557	D	92.8	Very high	93.5	Very high	106 Å²	106	53.4 Å²	53.4	57%	0.567	29%	0.286	S	S	*	.	H	α-helix	trans	-52.4	-46.6	176.4	172.7	72.8	0	0	0	112.5	C559 L560 R561	D557-C559 VanDerWaalsContact C-N 3.28Å; D557-C559 PolarHBondContact O-N 3.47Å; D557-L560 PolarHBondContact O-N 2.98Å; D557-L560 VanDerWaalsContact O-N 3.16Å; D557-R561 WeakPolarHBondContact O-CB 3.45Å; D557-R561 WeakPolarHBondContact O-CG 3.5Å; D557-R561 PolarHBondContact O-N 3.02Å; D557-R561 WeakPolarHBondContact OD2-CD 3.48Å
558	G	93.8	Very high	93.5	Very high	30 Å²	30	51.3 Å²	51.3	31%	0.309	27%	0.272	S	S	.	.	H	α-helix	trans	-59	-34.9	173.7	0	0	0	0	0	113.9	S556 S562 Y654	S556-G558 VanDerWaalsContact C-N 3.31Å; S556-G558 PolarHBondContact O-N 3.27Å; G558-S562 WeakPolarHBondContact O-CB 3.36Å; G558-S562 PolarHBondContact O-N 3.25Å; G558-S562 PolarHBondContact O-OG 2.93Å; G558-Y654 VanDerWaalsContact C-OH 3.25Å; G558-Y654 PolarHBondContact O-OH 3.36Å; G558-Y654 VanDerWaalsContact O-OH 3.09Å
559	C	95.4	Very high	93.5	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-70.6	-44.8	173.9	-171.3	0	0	0	0	111.6	A555 S556 D557 R561 S562 L563 Y654 F657	A555-C559 HydrophobicContact CB-CB 4.36Å; S556-C559 CarbonylContact O-C 3.54Å; S556-C559 WeakPolarHBondContact O-CA 3.31Å; S556-C559 VanDerWaalsContact O-CB 3.3Å; S556-C559 WeakPolarHBondContact O-CB 3.16Å; S556-C559 PolarHBondContact O-N 3.47Å; S556-C559 WeakPolarHBondContact OG-CB 3.49Å; S556-C559 PolarHBondContact OG-N 3.05Å; D557-C559 VanDerWaalsContact C-N 3.28Å; D557-C559 PolarHBondContact O-N 3.47Å; C559-R561 PolarHBondContact O-N 2.88Å; C559-S562 WeakPolarHBondContact O-CB 3.46Å; C559-S562 PolarHBondContact O-N 3.46Å; C559-S562 VanDerWaalsContact O-N 3.15Å; C559-L563 WeakPolarHBondContact O-CG 3.42Å; C559-L563 PolarHBondContact O-N 3.31Å; C559-Y654 HydrophobicContact CB-CD1 4.02Å; C559-Y654 HydrophobicContact CB-CD2 3.93Å; C559-Y654 HydrophobicContact CB-CE1 4.06Å; C559-Y654 HydrophobicContact CB-CE2 3.98Å; C559-Y654 HydrophobicContact CB-CG 3.95Å; C559-Y654 VanDerWaalsContact SG-CD2 3.57Å; C559-F657 VanDerWaalsContact SG-CD1 3.53Å
560	L	95.5	Very high	93.3	Very high	34 Å²	34	52.1 Å²	52.1	18%	0.178	28%	0.281	C	S	.	.	H	α-helix	trans	-58.5	-48.3	173.9	-67.6	175.1	0	0	0	111.4	F546 F552 A555 S556 D557 S562 L563 A564	F546-L560 HydrophobicContact CB-CD2 4.16Å; F546-L560 HydrophobicContact CD1-CD2 3.73Å; F546-L560 HydrophobicContact CD2-CD2 4.24Å; F546-L560 HydrophobicContact CE1-CD2 4.13Å; F546-L560 HydrophobicContact CG-CD2 3.8Å; F552-L560 HydrophobicContact CB-CD2 4.21Å; A555-L560 HydrophobicContact CB-CD2 3.61Å; A555-L560 HydrophobicContact CB-CG 3.73Å; S556-L560 PolarHBondContact O-N 3.34Å; D557-L560 PolarHBondContact O-N 2.98Å; D557-L560 VanDerWaalsContact O-N 3.16Å; L560-S562 VanDerWaalsContact C-N 3.29Å; L560-S562 PolarHBondContact O-N 3.43Å; L560-L563 PolarHBondContact O-N 3.36Å; L560-A564 VanDerWaalsContact O-CB 3.22Å; L560-A564 WeakPolarHBondContact O-CB 3.49Å; L560-A564 PolarHBondContact O-N 3.42Å
561	R	95.2	Very high	93.1	Very high	52 Å²	52	52.3 Å²	52.3	20%	0.196	28%	0.275	C	S	.	.	H	α-helix	trans	-59.4	-36.2	174.6	-75.3	174.8	123.4	-144.2	5.4	112.6	D532 A535 D536 V539 D557 C559 V565	D532-R561 PolarHBondContact O-NH2 3.48Å; D532-R561 IonicContact OD1-CZ 2.65Å; D532-R561 IonicContact OD1-NH1 2.82Å; D532-R561 PolarHBondContact OD1-NH1 3.34Å; D532-R561 IonicContact OD1-NH2 2.78Å; D532-R561 PolarHBondContact OD1-NH2 2.93Å; D532-R561 VanDerWaalsContact OD1-NH2 3.15Å; D532-R561 IonicContact OD2-CZ 2.69Å; D532-R561 IonicContact OD2-NH1 3.19Å; D532-R561 IonicContact OD2-NH2 2.82Å; D532-R561 PolarHBondContact OD2-NH2 2.87Å; A535-R561 HydrophobicContact CB-CB 4.01Å; A535-R561 HydrophobicContact CB-CG 4.11Å; D536-R561 IonicContact OD1-CZ 2.68Å; D536-R561 IonicContact OD1-NE 3.65Å; D536-R561 PolarHBondContact OD1-NE 3.09Å; D536-R561 IonicContact OD1-NH2 3.55Å; D536-R561 PolarHBondContact OD1-NH2 3.49Å; D536-R561 IonicContact OD2-CZ 3.22Å; D536-R561 IonicContact OD2-NH2 3.66Å; D536-R561 PolarHBondContact OD2-NH2 2.97Å; V539-R561 HydrophobicContact CG2-CG 3.97Å; D557-R561 WeakPolarHBondContact O-CB 3.45Å; D557-R561 WeakPolarHBondContact O-CG 3.5Å; D557-R561 PolarHBondContact O-N 3.02Å; D557-R561 WeakPolarHBondContact OD2-CD 3.48Å; C559-R561 PolarHBondContact O-N 2.88Å; R561-V565 WeakPolarHBondContact O-CG2 3.33Å
562	S	94.9	Very high	92.9	Very high	41 Å²	41	53 Å²	53	29%	0.287	28%	0.279	S	S	.	.	H	α-helix	trans	-70.4	-43.4	175.7	-57.5	0	0	0	0	112.5	G558 C559 L560 Y654	G558-S562 WeakPolarHBondContact O-CB 3.36Å; G558-S562 PolarHBondContact O-N 3.25Å; G558-S562 PolarHBondContact O-OG 2.93Å; C559-S562 WeakPolarHBondContact O-CB 3.46Å; C559-S562 PolarHBondContact O-N 3.46Å; C559-S562 VanDerWaalsContact O-N 3.15Å; L560-S562 VanDerWaalsContact C-N 3.29Å; L560-S562 PolarHBondContact O-N 3.43Å; S562-Y654 PolarHBondContact OG-OH 3.3Å; S562-Y654 VanDerWaalsContact OG-OH 3.1Å
563	L	95.4	Very high	92.6	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-64.7	-47.2	176	-71.6	168.2	0	0	0	111.3	F546 F552 C559 L560 V565 E566 F567 I642 L647 V650 F657	F546-L563 HydrophobicContact CE1-CB 4.28Å; F546-L563 HydrophobicContact CE1-CD1 4.42Å; F546-L563 HydrophobicContact CZ-CB 4.16Å; F552-L563 HydrophobicContact CD1-CD1 3.86Å; F552-L563 HydrophobicContact CE1-CD1 3.75Å; C559-L563 WeakPolarHBondContact O-CG 3.42Å; C559-L563 PolarHBondContact O-N 3.31Å; L560-L563 PolarHBondContact O-N 3.36Å; L563-V565 VanDerWaalsContact C-N 3.28Å; L563-V565 PolarHBondContact O-N 3.29Å; L563-E566 PolarHBondContact O-N 2.97Å; L563-F567 HydrophobicContact CB-CD2 4.24Å; L563-F567 HydrophobicContact CB-CE2 4.22Å; L563-F567 WeakPolarHBondContact O-CD2 3.41Å; L563-F567 PolarHBondContact O-N 2.91Å; L563-I642 HydrophobicContact CD2-CD1 4.02Å; L563-L647 HydrophobicContact CD2-CD1 3.96Å; L563-V650 HydrophobicContact CD2-CB 4.08Å; L563-V650 HydrophobicContact CD2-CG1 3.7Å; L563-V650 HydrophobicContact CG-CG1 3.89Å; L563-F657 HydrophobicContact CD1-CE1 4.23Å
564	A	94.9	Very high	92.6	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.4	-34.7	-170.2	0	0	0	0	0	113.8	C538 V539 N542 F546 L560 E566 F567	C538-A564 HydrophobicContact CB-CB 3.75Å; C538-A564 WeakPolarHBondContact CB-O 3.43Å; V539-A564 HydrophobicContact CB-CB 4.36Å; V539-A564 HydrophobicContact CG2-CB 3.58Å; N542-A564 PolarHBondContact ND2-O 3.32Å; F546-A564 HydrophobicContact CE2-CB 3.79Å; F546-A564 HydrophobicContact CZ-CB 3.94Å; L560-A564 VanDerWaalsContact O-CB 3.22Å; L560-A564 WeakPolarHBondContact O-CB 3.49Å; L560-A564 PolarHBondContact O-N 3.42Å; A564-E566 VanDerWaalsContact C-N 3.25Å; A564-E566 PolarHBondContact O-N 2.7Å; A564-F567 PolarHBondContact O-N 3.06Å
565	V	93.3	Very high	92.4	Very high	61 Å²	61	42.2 Å²	42.2	37%	0.37	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-17.9	178.6	175	0	0	0	0	112.5	A535 C538 R561 L563	A535-V565 HydrophobicContact CB-CG2 3.94Å; C538-V565 HydrophobicContact CB-CG2 4.34Å; R561-V565 WeakPolarHBondContact O-CG2 3.33Å; L563-V565 VanDerWaalsContact C-N 3.28Å; L563-V565 PolarHBondContact O-N 3.29Å
566	E	94.1	Very high	92.1	Very high	44 Å²	44	42.2 Å²	42.2	21%	0.206	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-10.7	177.7	-60.8	-85	-172.6	0	0	112.8	L563 A564 I642 A646 R649	L563-E566 PolarHBondContact O-N 2.97Å; A564-E566 VanDerWaalsContact C-N 3.25Å; A564-E566 PolarHBondContact O-N 2.7Å; E566-I642 HydrophobicContact CB-CD1 4.35Å; E566-A646 HydrophobicContact CB-CB 3.78Å; E566-A646 HydrophobicContact CG-CB 3.96Å; E566-A646 WeakPolarHBondContact OE2-CB 3.39Å; E566-R649 IonicContact OE1-CZ 3.77Å; E566-R649 VanDerWaalsContact OE1-CZ 3.23Å; E566-R649 IonicContact OE1-NH1 3.83Å; E566-R649 PolarHBondContact OE1-NH1 3.35Å; E566-R649 IonicContact OE1-NH2 3.93Å; E566-R649 PolarHBondContact OE1-NH2 3.1Å; E566-R649 IonicContact OE2-NH2 2.77Å; E566-R649 PolarHBondContact OE2-NH2 2.98Å
567	F	93.9	Very high	92	Very high	15 Å²	15	42 Å²	42	7%	0.066	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	138.4	170.5	-97	-77.6	0	0	0	111	N542 V545 F546 F552 L563 A564 F590 H640 V641 I642	N542-F567 WeakPolarHBondContact OD1-CB 3.48Å; V545-F567 HydrophobicContact CG1-CE1 4.47Å; V545-F567 HydrophobicContact CG1-CZ 4.19Å; F546-F567 HydrophobicContact CE1-CD2 4.18Å; F546-F567 AromaticContact CE1-CE2 3.79Å; F546-F567 HydrophobicContact CE1-CE2 3.79Å; F546-F567 HydrophobicContact CZ-CD2 4.02Å; F546-F567 HydrophobicContact CZ-CE2 4.11Å; F552-F567 HydrophobicContact CZ-CE2 4.45Å; F552-F567 HydrophobicContact CZ-CZ 4.16Å; L563-F567 HydrophobicContact CB-CD2 4.24Å; L563-F567 HydrophobicContact CB-CE2 4.22Å; L563-F567 WeakPolarHBondContact O-CD2 3.41Å; L563-F567 PolarHBondContact O-N 2.91Å; A564-F567 PolarHBondContact O-N 3.06Å; F567-F590 AromaticContact CE1-CD2 3.7Å; F567-F590 HydrophobicContact CE1-CD2 3.7Å; F567-F590 AromaticContact CE1-CE2 3.81Å; F567-F590 HydrophobicContact CE1-CE2 3.81Å; F567-F590 HydrophobicContact CZ-CD2 4.03Å; F567-F590 AromaticContact CZ-CE2 3.71Å; F567-F590 HydrophobicContact CZ-CE2 3.71Å; F567-F590 HydrophobicContact CZ-CZ 4.4Å; F567-H640 HydrophobicContact CD1-CB 4.24Å; F567-H640 HydrophobicContact CE1-CB 4.41Å; F567-V641 WeakPolarHBondContact CA-O 3.4Å; F567-V641 WeakPolarHBondContact CD1-O 3.38Å; F567-I642 HydrophobicContact CD1-CB 3.97Å; F567-I642 HydrophobicContact CD2-CD1 4.05Å; F567-I642 HydrophobicContact CE1-CB 3.89Å; F567-I642 HydrophobicContact CE1-CG2 3.99Å; F567-I642 HydrophobicContact CE2-CB 4.43Å; F567-I642 HydrophobicContact CE2-CD1 4.01Å; F567-I642 HydrophobicContact CG-CB 4.28Å; F567-I642 HydrophobicContact CZ-CB 4.14Å; F567-I642 HydrophobicContact CZ-CD1 4.48Å; F567-I642 HydrophobicContact CZ-CG2 3.99Å
568	Q	91.7	Very high	92	Very high	86 Å²	86	38.8 Å²	38.8	40%	0.402	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	141.5	175.4	-61.7	178.2	-56.1	0	0	109.3	H640 V641	Q568-H640 WeakPolarHBondContact O-CA 3.49Å; Q568-V641 HydrophobicContact CB-CG2 3.97Å; Q568-V641 PolarHBondContact N-O 3.28Å; Q568-V641 PolarHBondContact O-N 3.09Å
569	T	89.7	Confident	92.1	Very high	59 Å²	59	37.7 Å²	37.7	36%	0.362	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	126.5	171.8	-60.4	0	0	0	0	109.1	L639 H640	T569-L639 CarbonylContact C-O 3.57Å; T569-L639 WeakPolarHBondContact CA-O 3.46Å; T569-H640 PolarHBondContact OG1-CE1 2.96Å; T569-H640 PolarHBondContact OG1-NE2 2.84Å
570	T	88.8	Confident	92	Very high	59 Å²	59	42.1 Å²	42.1	36%	0.362	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	127.1	179.6	-55.1	0	0	0	0	108.9	L639	T570-L639 PolarHBondContact N-O 2.6Å; T570-L639 PolarHBondContact O-N 2.89Å
571	H	88.1	Confident	91.9	Very high	86 Å²	86	44.7 Å²	44.7	40%	0.398	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	129.8	176.1	-57.4	-75.7	0	0	0	109.7	C637 D638	H571-C637 WeakPolarHBondContact CA-O 3.4Å; H571-D638 IonicContact CE1-OD1 3.15Å; H571-D638 PolarHBondContact CE1-OD1 2.83Å; H571-D638 IonicContact CG-OD1 3.58Å; H571-D638 IonicContact ND1-OD1 3.66Å; H571-D638 PolarHBondContact ND1-OD1 3Å
572	C	88.6	Confident	91.7	Very high	13 Å²	13	44.1 Å²	44.1	9%	0.088	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	142.9	178.4	-55.4	0	0	0	0	110.3	D576 I578 A633 Y636 C637	C572-D576 HydrophobicContact CB-CB 4.36Å; C572-I578 HydrophobicContact CB-CD1 4.4Å; C572-A633 HydrophobicContact CB-CB 4.13Å; C572-Y636 VanDerWaalsContact O-CA 3.32Å; C572-Y636 WeakPolarHBondContact O-CA 3.3Å; C572-C637 HydrophobicContact CB-CB 4.41Å; C572-C637 PolarHBondContact N-O 3.4Å; C572-C637 PolarHBondContact O-N 3.22Å
573	A	88.1	Confident	91.7	Very high	16 Å²	16	46.1 Å²	46.1	13%	0.132	26%	0.263	C	S	.	.			trans	-92.5	160.5	176.6	0	0	0	0	0	111.9	G575 D576 A633 Y636	A573-G575 PolarHBondContact O-N 3.46Å; A573-D576 WeakPolarHBondContact CA-OD2 3.49Å; A573-D576 WeakPolarHBondContact CB-OD2 3.43Å; A573-D576 PolarHBondContact N-OD2 3.34Å; A573-D576 VanDerWaalsContact O-CB 3.28Å; A573-D576 WeakPolarHBondContact O-CB 3.26Å; A573-D576 PolarHBondContact O-N 3.29Å; A573-A633 WeakPolarHBondContact O-CB 3.38Å; A573-Y636 HydrophobicContact CB-CD1 4.19Å; A573-Y636 HydrophobicContact CB-CE1 3.82Å
574	P	89.5	Confident	91.6	Very high	64 Å²	64	49.1 Å²	49.1	42%	0.416	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	129.1	174.1	-24.8	32.4	0	0	0	112.3	D576 Y636	P574-D576 VanDerWaalsContact C-N 3.32Å; P574-Y636 HydrophobicContact CG-CD2 4.08Å; P574-Y636 HydrophobicContact CG-CE2 3.99Å; P574-Y636 HydrophobicContact CG-CG 4.42Å
575	G	87.4	Confident	91.5	Very high	40 Å²	40	49.1 Å²	49.1	41%	0.412	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.5	-6.6	-177.6	0	0	0	0	0	115.3	A573 A633	A573-G575 PolarHBondContact O-N 3.46Å; G575-A633 PolarHBondContact N-O 2.96Å
576	D	88.8	Confident	91.5	Very high	18 Å²	18	49.6 Å²	49.6	10%	0.096	28%	0.284	C	S	.	.			trans	-65.6	141	174.1	-77.9	-26.3	0	0	0	111.7	R505 C572 A573 P574 I578 R632 A633	R505-D576 IonicContact CZ-OD1 2.82Å; R505-D576 IonicContact NE-OD1 3.81Å; R505-D576 PolarHBondContact NE-OD1 2.89Å; R505-D576 IonicContact NH2-OD1 3.56Å; R505-D576 PolarHBondContact NH2-OD1 3.5Å; C572-D576 HydrophobicContact CB-CB 4.36Å; A573-D576 WeakPolarHBondContact CA-OD2 3.49Å; A573-D576 WeakPolarHBondContact CB-OD2 3.43Å; A573-D576 PolarHBondContact N-OD2 3.34Å; A573-D576 VanDerWaalsContact O-CB 3.28Å; A573-D576 WeakPolarHBondContact O-CB 3.26Å; A573-D576 PolarHBondContact O-N 3.29Å; P574-D576 VanDerWaalsContact C-N 3.32Å; D576-I578 WeakPolarHBondContact O-CD1 3.23Å; D576-R632 CarbonylContact O-C 3.58Å; D576-R632 VanDerWaalsContact O-CA 3.27Å; D576-R632 WeakPolarHBondContact O-CA 3.46Å; D576-R632 WeakPolarHBondContact O-CG 3.24Å; D576-A633 PolarHBondContact O-N 3.41Å
577	L	91.4	Very high	91.5	Very high	58 Å²	58	48.5 Å²	48.5	30%	0.304	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	127.8	171.1	-74.5	163.3	0	0	0	109.2	H580 N630 V631 R632	L577-H580 VanDerWaalsContact CD1-CE1 3.5Å; L577-H580 WeakPolarHBondContact CD1-CE1 3.48Å; L577-N630 HydrophobicContact CD2-CB 3.93Å; L577-V631 CarbonylContact C-O 3.58Å; L577-V631 WeakPolarHBondContact CA-O 3.34Å; L577-R632 HydrophobicContact CD2-CB 3.78Å; L577-R632 HydrophobicContact CD2-CG 4.23Å
578	I	93.8	Very high	91.5	Very high	38 Å²	38	47.8 Å²	47.8	20%	0.195	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-38.9	-178.1	-62.5	71	0	0	0	110.3	C572 D576 L596 F614 V631 A633 L639	C572-I578 HydrophobicContact CB-CD1 4.4Å; D576-I578 WeakPolarHBondContact O-CD1 3.23Å; I578-L596 HydrophobicContact CD1-CD2 3.75Å; I578-L596 HydrophobicContact CG1-CD2 4.12Å; I578-F614 HydrophobicContact CG2-CE2 4.41Å; I578-F614 HydrophobicContact CG2-CZ 4.45Å; I578-V631 HydrophobicContact CB-CB 4.46Å; I578-V631 PolarHBondContact N-O 3.23Å; I578-A633 HydrophobicContact CD1-CB 4.07Å; I578-L639 HydrophobicContact CG1-CD1 3.9Å; I578-L639 HydrophobicContact CG2-CD1 4.11Å
579	F	94.6	Very high	91.8	Very high	8 Å²	8	43.8 Å²	43.8	4%	0.035	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	144.9	172.9	-71.4	-72	0	0	0	109.8	E583 T587 F614 N630 V631 L671	F579-E583 WeakPolarHBondContact CA-OE2 3.47Å; F579-T587 WeakPolarHBondContact CZ-OG1 3.25Å; F579-F614 HydrophobicContact CD2-CD2 4.32Å; F579-F614 AromaticContact CD2-CE2 3.86Å; F579-F614 HydrophobicContact CD2-CE2 3.86Å; F579-F614 HydrophobicContact CE2-CD2 4.14Å; F579-F614 AromaticContact CE2-CE2 3.73Å; F579-F614 HydrophobicContact CE2-CE2 3.73Å; F579-N630 WeakPolarHBondContact O-CA 3.41Å; F579-V631 HydrophobicContact CB-CB 4.45Å; F579-V631 HydrophobicContact CB-CG2 4.27Å; F579-V631 HydrophobicContact CD2-CG2 4.21Å; F579-V631 PolarHBondContact O-N 2.97Å; F579-L671 HydrophobicContact CB-CD1 4.38Å; F579-L671 HydrophobicContact CD2-CD1 3.5Å; F579-L671 HydrophobicContact CE2-CD1 3.85Å; F579-L671 HydrophobicContact CG-CD1 3.97Å
580	H	94.4	Very high	92.1	Very high	93 Å²	93	41 Å²	41	43%	0.431	24%	0.242	S	C	.	.			trans	-107.5	147.7	174.9	-69	-83.1	0	0	0	112.5	L577 G582 E583 A627 N630	L577-H580 VanDerWaalsContact CD1-CE1 3.5Å; L577-H580 WeakPolarHBondContact CD1-CE1 3.48Å; H580-G582 PolarHBondContact O-N 3.34Å; H580-E583 HydrophobicContact CB-CB 4.37Å; H580-E583 IonicContact CD2-OE2 2.79Å; H580-E583 PolarHBondContact N-OE2 2.91Å; H580-E583 WeakPolarHBondContact O-CB 3.43Å; H580-E583 PolarHBondContact O-N 3.41Å; H580-A627 WeakPolarHBondContact O-CB 3.41Å; H580-N630 WeakPolarHBondContact CA-OD1 3.43Å
581	I	93.9	Very high	92.5	Very high	88 Å²	88	38.2 Å²	38.2	45%	0.451	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	124.3	173.8	-66.1	166.3	0	0	0	110.3	N630	I581-N630 HydrophobicContact CG1-CB 4.47Å; I581-N630 WeakPolarHBondContact CG1-OD1 3.24Å; I581-N630 PolarHBondContact N-OD1 2.77Å
582	G	90.8	Very high	92.7	Very high	39 Å²	39	34.3 Å²	34.3	40%	0.402	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.5	-12.1	-178.6	0	0	0	0	0	115.3	H580 A627	H580-G582 PolarHBondContact O-N 3.34Å; G582-A627 PolarHBondContact N-O 2.99Å
583	E	93.9	Very high	93	Very high	84 Å²	84	36.2 Å²	36.2	39%	0.393	22%	0.22	S	C	.	.			trans	-67.2	156.7	178.3	-171.7	162.7	-146.4	0	0	112.6	F579 H580 V585 R626 A627	F579-E583 WeakPolarHBondContact CA-OE2 3.47Å; H580-E583 HydrophobicContact CB-CB 4.37Å; H580-E583 IonicContact CD2-OE2 2.79Å; H580-E583 PolarHBondContact N-OE2 2.91Å; H580-E583 WeakPolarHBondContact O-CB 3.43Å; H580-E583 PolarHBondContact O-N 3.41Å; E583-V585 PolarHBondContact O-N 3.01Å; E583-R626 CarbonylContact O-C 3.59Å; E583-R626 VanDerWaalsContact O-CA 3.25Å; E583-R626 WeakPolarHBondContact O-CA 3.28Å; E583-A627 PolarHBondContact O-N 3.46Å
584	S	93.1	Very high	93.3	Very high	62 Å²	62	36.5 Å²	36.5	43%	0.434	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	121.2	177.9	-179.5	0	0	0	0	110.9	D586 A625	S584-D586 PolarHBondContact O-N 3.33Å; S584-D586 VanDerWaalsContact O-N 3.11Å; S584-A625 WeakPolarHBondContact CA-O 3.49Å
585	V	93.8	Very high	93.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	92.4	171.9	-169.6	0	0	0	0	108.4	E583 D616 F618 A625 A627 L671	E583-V585 PolarHBondContact O-N 3.01Å; V585-D616 HydrophobicContact CB-CB 4.28Å; V585-D616 HydrophobicContact CG1-CB 3.73Å; V585-F618 WeakPolarHBondContact O-CE1 3.22Å; V585-A625 HydrophobicContact CB-CB 4.23Å; V585-A625 HydrophobicContact CG2-CB 4.34Å; V585-A625 PolarHBondContact N-O 2.98Å; V585-A627 HydrophobicContact CG2-CB 3.77Å; V585-L671 HydrophobicContact CG1-CD1 4.47Å; V585-L671 HydrophobicContact CG2-CB 3.88Å; V585-L671 HydrophobicContact CG2-CD1 4.33Å
586	D	92.7	Very high	94.1	Very high	71 Å²	71	33 Å²	33	38%	0.38	20%	0.196	S	C	.	.			trans	-107.6	-7	-180	82.4	-33.8	0	0	0	113.2	S584 F618 R644	S584-D586 PolarHBondContact O-N 3.33Å; S584-D586 VanDerWaalsContact O-N 3.11Å; D586-F618 VanDerWaalsContact C-CZ 3.48Å; D586-R644 WeakPolarHBondContact O-CA 3.31Å; D586-R644 WeakPolarHBondContact O-CB 3.41Å; D586-R644 PolarHBondContact O-N 2.9Å
587	T	94.4	Very high	94.5	Very high	22 Å²	22	33.1 Å²	33.1	14%	0.135	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	140.5	-170.5	27.4	0	0	0	0	111	F579 R643	F579-T587 WeakPolarHBondContact CZ-OG1 3.25Å; T587-R643 HydrophobicContact CG2-CB 4.42Å; T587-R643 HydrophobicContact CG2-CG 3.66Å
588	L	94.9	Very high	94.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	124.9	175.3	175.8	69.1	0	0	0	108.3	F590 V613 F618 W619 V641 I642 L647 F661 L665 L667	L588-F590 HydrophobicContact CD2-CE2 3.66Å; L588-F590 HydrophobicContact CD2-CZ 3.69Å; L588-F590 HydrophobicContact CG-CE2 3.73Å; L588-F590 HydrophobicContact CG-CZ 4.1Å; L588-V613 HydrophobicContact CD1-CG1 3.73Å; L588-V613 HydrophobicContact CG-CG1 4.29Å; L588-F618 HydrophobicContact CB-CE2 3.84Å; L588-W619 HydrophobicContact CD2-CZ3 4.4Å; L588-V641 WeakPolarHBondContact O-CA 3.45Å; L588-I642 HydrophobicContact CB-CG2 4.02Å; L588-I642 HydrophobicContact CD2-CG2 4.23Å; L588-I642 HydrophobicContact CG-CG2 4.49Å; L588-I642 PolarHBondContact N-O 3.32Å; L588-I642 PolarHBondContact O-N 2.92Å; L588-L647 HydrophobicContact CD2-CD2 3.66Å; L588-F661 HydrophobicContact CD2-CZ 4.4Å; L588-L665 HydrophobicContact CD2-CD2 3.97Å; L588-L667 HydrophobicContact CD1-CD2 3.57Å
589	C	96.2	Very high	94.8	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.014	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	127.8	-169	-59.4	0	0	0	0	111.5	V613 F614 V641	C589-V613 WeakPolarHBondContact O-CA 3.35Å; C589-V613 WeakPolarHBondContact O-CG1 3.17Å; C589-F614 HydrophobicContact CB-CD1 3.83Å; C589-F614 HydrophobicContact CB-CD2 4.17Å; C589-F614 HydrophobicContact CB-CE1 3.4Å; C589-F614 VanDerWaalsContact CB-CE1 3.4Å; C589-F614 HydrophobicContact CB-CE2 3.78Å; C589-F614 HydrophobicContact CB-CG 4.21Å; C589-F614 HydrophobicContact CB-CZ 3.39Å; C589-F614 PolarHBondContact N-O 3.41Å; C589-F614 PolarHBondContact O-N 2.91Å; C589-V641 HydrophobicContact CB-CG1 4.21Å; C589-V641 VanDerWaalsContact SG-CG1 3.59Å
590	F	96.8	Very high	94.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	125.1	176	-61.4	-100.3	0	0	0	109	V545 H549 F552 F567 L588 V592 V613 H640 I642 L665	V545-F590 HydrophobicContact CG1-CB 4.23Å; V545-F590 HydrophobicContact CG1-CD1 3.81Å; V545-F590 HydrophobicContact CG1-CD2 4.32Å; V545-F590 HydrophobicContact CG1-CE1 4.24Å; V545-F590 HydrophobicContact CG1-CG 3.87Å; V545-F590 HydrophobicContact CG2-CB 4.11Å; H549-F590 AromaticContact CD2-CD1 3.94Å; H549-F590 AromaticContact CE1-CD1 3.83Å; H549-F590 AromaticContact NE2-CD1 3.67Å; F552-F590 HydrophobicContact CE2-CD1 4.4Å; F552-F590 AromaticContact CE2-CE1 3.67Å; F552-F590 HydrophobicContact CE2-CE1 3.67Å; F552-F590 AromaticContact CE2-CZ 3.89Å; F552-F590 HydrophobicContact CE2-CZ 3.89Å; F552-F590 AromaticContact CZ-CE1 3.98Å; F552-F590 HydrophobicContact CZ-CE1 3.98Å; F552-F590 HydrophobicContact CZ-CE2 4.44Å; F552-F590 AromaticContact CZ-CZ 3.69Å; F552-F590 HydrophobicContact CZ-CZ 3.69Å; F567-F590 AromaticContact CE1-CD2 3.7Å; F567-F590 HydrophobicContact CE1-CD2 3.7Å; F567-F590 AromaticContact CE1-CE2 3.81Å; F567-F590 HydrophobicContact CE1-CE2 3.81Å; F567-F590 HydrophobicContact CZ-CD2 4.03Å; F567-F590 AromaticContact CZ-CE2 3.71Å; F567-F590 HydrophobicContact CZ-CE2 3.71Å; F567-F590 HydrophobicContact CZ-CZ 4.4Å; L588-F590 HydrophobicContact CD2-CE2 3.66Å; L588-F590 HydrophobicContact CD2-CZ 3.69Å; L588-F590 HydrophobicContact CG-CE2 3.73Å; L588-F590 HydrophobicContact CG-CZ 4.1Å; F590-V592 PolarHBondContact O-N 3.05Å; F590-V613 HydrophobicContact CD1-CB 4.32Å; F590-V613 HydrophobicContact CD1-CG1 3.83Å; F590-V613 HydrophobicContact CD1-CG2 3.54Å; F590-V613 HydrophobicContact CE1-CB 4.46Å; F590-V613 HydrophobicContact CE1-CG1 3.74Å; F590-V613 HydrophobicContact CE1-CG2 3.78Å; F590-V613 HydrophobicContact CE2-CG1 4.46Å; F590-V613 HydrophobicContact CG-CG1 4.22Å; F590-V613 HydrophobicContact CG-CG2 4.43Å; F590-V613 HydrophobicContact CZ-CG1 4.08Å; F590-H640 HydrophobicContact CB-CB 4.44Å; F590-H640 WeakPolarHBondContact CD2-O 3.34Å; F590-H640 PolarHBondContact N-O 2.88Å; F590-H640 PolarHBondContact O-N 2.82Å; F590-I642 HydrophobicContact CE2-CG2 4.29Å; F590-L665 HydrophobicContact CE1-CD1 4.1Å; F590-L665 HydrophobicContact CZ-CD2 4.21Å
591	V	96.6	Very high	94.6	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	103.2	-178.3	-174.3	0	0	0	0	109.4	L596 L608 G609 G611 D612 F614 L639	V591-L596 HydrophobicContact CB-CD1 4.45Å; V591-L596 HydrophobicContact CG1-CD1 3.73Å; V591-L596 HydrophobicContact CG2-CD1 3.79Å; V591-L608 HydrophobicContact CG2-CB 4.35Å; V591-G609 VanDerWaalsContact CB-O 3.26Å; V591-G609 WeakPolarHBondContact CB-O 3.37Å; V591-G609 WeakPolarHBondContact CG1-O 3.32Å; V591-G611 PolarHBondContact O-N 3.35Å; V591-D612 HydrophobicContact CG2-CB 4.4Å; V591-D612 PolarHBondContact N-O 2.91Å; V591-F614 HydrophobicContact CG2-CD1 3.95Å; V591-F614 HydrophobicContact CG2-CE1 3.68Å; V591-L639 HydrophobicContact CB-CD2 4.3Å; V591-L639 HydrophobicContact CG1-CD2 4.37Å; V591-L639 HydrophobicContact CG2-CD2 3.91Å
592	V	94.1	Very high	94.5	Very high	5 Å²	5	30.5 Å²	30.5	3%	0.03	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-32.2	-178	173.2	0	0	0	0	111.9	Q544 V545 F590 K610 D638 H640	Q544-V592 HydrophobicContact CB-CG1 3.68Å; Q544-V592 HydrophobicContact CB-CG2 4.47Å; Q544-V592 VanDerWaalsContact CD-CG1 3.4Å; Q544-V592 HydrophobicContact CG-CG1 4.07Å; V545-V592 HydrophobicContact CG2-CG2 3.55Å; F590-V592 PolarHBondContact O-N 3.05Å; V592-K610 VanDerWaalsContact O-CD 3.24Å; V592-K610 WeakPolarHBondContact O-CD 3.47Å; V592-K610 WeakPolarHBondContact O-CE 3.32Å; V592-K610 WeakPolarHBondContact O-CG 3.46Å; V592-D638 PolarHBondContact N-O 3.15Å; V592-H640 HydrophobicContact CG2-CB 4.12Å; V592-H640 WeakPolarHBondContact CG2-CD2 3.31Å
593	S	93.5	Very high	94.6	Very high	52 Å²	52	32.6 Å²	32.6	36%	0.364	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	155.6	176.1	-167.2	0	0	0	0	111.1	C637 D638	S593-C637 WeakPolarHBondContact O-CA 3.5Å; S593-D638 VanDerWaalsContact CB-OD2 3.26Å; S593-D638 WeakPolarHBondContact CB-OD2 3.28Å; S593-D638 PolarHBondContact N-O 3.19Å; S593-D638 PolarHBondContact O-N 3.34Å
594	G	93.8	Very high	94.7	Very high	22 Å²	22	32.2 Å²	32.2	23%	0.227	19%	0.189	C	C	.	.	S	Bend	trans	88.2	-162.5	179.9	0	0	0	0	0	114.5	T635 Y636	G594-T635 WeakPolarHBondContact CA-OG1 3.19Å; G594-Y636 WeakPolarHBondContact CA-O 3.25Å
595	S	96.4	Very high	94.7	Very high	31 Å²	31	31.8 Å²	31.8	22%	0.217	18%	0.181	C	C	.	.			trans	-149.1	141.9	179.6	54.1	0	0	0	0	111.5	L608 L634 T635 C637	S595-L608 CarbonylContact C-O 3.56Å; S595-L608 VanDerWaalsContact CA-O 3.29Å; S595-L608 WeakPolarHBondContact CA-O 3.2Å; S595-L634 WeakPolarHBondContact O-CB 3.4Å; S595-L634 PolarHBondContact O-N 3.18Å; S595-T635 PolarHBondContact N-OG1 3.38Å; S595-T635 PolarHBondContact O-N 3.3Å; S595-T635 WeakPolarHBondContact OG-CG2 3.3Å; S595-C637 PolarHBondContact N-SG 2.92Å; S595-C637 VanDerWaalsContact N-SG 3.42Å; S595-C637 PolarHBondContact O-SG 3.13Å
596	L	97.5	Very high	94.8	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	155.4	-177.9	-57.1	90.6	0	0	0	110.2	I578 V591 I607 L608 F614 V631 R632 C637 L639	I578-L596 HydrophobicContact CD1-CD2 3.75Å; I578-L596 HydrophobicContact CG1-CD2 4.12Å; V591-L596 HydrophobicContact CB-CD1 4.45Å; V591-L596 HydrophobicContact CG1-CD1 3.73Å; V591-L596 HydrophobicContact CG2-CD1 3.79Å; L596-I607 CarbonylContact O-C 3.57Å; L596-I607 WeakPolarHBondContact O-CA 3.41Å; L596-I607 WeakPolarHBondContact O-CG2 3.31Å; L596-L608 HydrophobicContact CB-CB 4.37Å; L596-L608 PolarHBondContact N-O 3.17Å; L596-L608 PolarHBondContact O-N 3.05Å; L596-F614 HydrophobicContact CD2-CZ 4.18Å; L596-V631 HydrophobicContact CB-CG1 4.37Å; L596-V631 HydrophobicContact CD2-CG1 3.93Å; L596-R632 CarbonylContact C-O 3.56Å; L596-R632 VanDerWaalsContact CA-O 3.23Å; L596-R632 WeakPolarHBondContact CA-O 3.32Å; L596-R632 WeakPolarHBondContact CB-O 3.38Å; L596-C637 HydrophobicContact CD1-CB 4.26Å; L596-L639 HydrophobicContact CD1-CD2 4.06Å; L596-L639 HydrophobicContact CD2-CD1 4.27Å; L596-L639 HydrophobicContact CD2-CD2 4.31Å
597	E	97	Very high	95	Very high	20 Å²	20	35.1 Å²	35.1	9%	0.093	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	146.1	171.2	63.1	-175.3	152.8	0	0	110.4	I599 V604 A606 R632 L634	E597-I599 HydrophobicContact CG-CD1 4.07Å; E597-I599 HydrophobicContact CG-CG1 4.07Å; E597-V604 HydrophobicContact CB-CG1 4.15Å; E597-V604 WeakPolarHBondContact OE2-CG2 3.38Å; E597-A606 WeakPolarHBondContact CA-O 3.45Å; E597-R632 HydrophobicContact CG-CB 3.94Å; E597-R632 PolarHBondContact N-O 3.41Å; E597-R632 PolarHBondContact O-N 3.3Å; E597-R632 IonicContact OE1-CZ 3.21Å; E597-R632 IonicContact OE1-NE 2.76Å; E597-R632 PolarHBondContact OE1-NE 2.91Å; E597-R632 IonicContact OE1-NH2 3.87Å; E597-R632 PolarHBondContact OE1-NH2 2.97Å; E597-R632 IonicContact OE2-NH2 2.74Å; E597-L634 HydrophobicContact CB-CD1 4.24Å; E597-L634 HydrophobicContact CB-CD2 4.41Å; E597-L634 HydrophobicContact CB-CG 4.27Å; E597-L634 HydrophobicContact CG-CD2 4.02Å; E597-L634 HydrophobicContact CG-CG 4.19Å; E597-L634 VanDerWaalsContact OE1-CD2 3.31Å; E597-L634 WeakPolarHBondContact OE1-CD2 3.38Å
598	V	96.8	Very high	95.1	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	121.1	176.8	-173.5	0	0	0	0	108	V604 I605 A606 L608 A629 N630 V631 L671	V598-V604 CarbonylContact O-C 3.57Å; V598-V604 WeakPolarHBondContact O-CA 3.43Å; V598-I605 HydrophobicContact CB-CG1 4.03Å; V598-I605 HydrophobicContact CG1-CD1 3.87Å; V598-I605 HydrophobicContact CG1-CG1 3.8Å; V598-I605 WeakPolarHBondContact O-CG1 3.36Å; V598-I605 PolarHBondContact O-N 2.84Å; V598-A606 HydrophobicContact CB-CB 4.16Å; V598-A606 HydrophobicContact CG2-CB 4.18Å; V598-A606 PolarHBondContact N-O 3.45Å; V598-L608 HydrophobicContact CG2-CD1 3.83Å; V598-L608 HydrophobicContact CG2-CG 4.12Å; V598-A629 HydrophobicContact CG1-CB 3.49Å; V598-A629 VanDerWaalsContact CG1-CB 3.49Å; V598-N630 CarbonylContact C-O 3.48Å; V598-N630 WeakPolarHBondContact CA-O 3.41Å; V598-V631 HydrophobicContact CG1-CG2 4.37Å; V598-V631 HydrophobicContact CG2-CG2 4.31Å; V598-L671 HydrophobicContact CG1-CD2 4.29Å
599	I	95.9	Very high	95.1	Very high	19 Å²	19	35.1 Å²	35.1	10%	0.097	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	123.1	-169.4	-50.5	174.8	0	0	0	109.9	E597 E603 V604 A629 N630 R632	E597-I599 HydrophobicContact CG-CD1 4.07Å; E597-I599 HydrophobicContact CG-CG1 4.07Å; I599-E603 CarbonylContact C-O 3.55Å; I599-E603 VanDerWaalsContact CA-O 3.31Å; I599-E603 WeakPolarHBondContact CA-O 3.34Å; I599-V604 HydrophobicContact CG1-CG2 4.38Å; I599-A629 CarbonylContact O-C 3.46Å; I599-A629 WeakPolarHBondContact O-CA 3.42Å; I599-A629 WeakPolarHBondContact O-CB 3.47Å; I599-N630 HydrophobicContact CB-CB 4.36Å; I599-N630 PolarHBondContact N-O 3.17Å; I599-N630 PolarHBondContact O-N 3.01Å; I599-R632 HydrophobicContact CD1-CB 4.38Å
600	Q	94.3	Very high	95.1	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	131.2	179.1	178.9	162	87.5	0	0	109.5	D602 E603 I605 C628 A629 V675 F677	Q600-D602 PolarHBondContact O-N 3.41Å; Q600-D602 VanDerWaalsContact O-N 3.14Å; Q600-E603 PolarHBondContact N-O 3.44Å; Q600-E603 PolarHBondContact O-N 2.75Å; Q600-I605 HydrophobicContact CB-CD1 3.98Å; Q600-I605 HydrophobicContact CB-CG1 4.28Å; Q600-I605 HydrophobicContact CB-CG2 3.88Å; Q600-C628 VanDerWaalsContact NE2-C 3.34Å; Q600-C628 PolarHBondContact NE2-O 3.41Å; Q600-A629 HydrophobicContact CB-CB 4.03Å; Q600-V675 VanDerWaalsContact OE1-CB 3.32Å; Q600-V675 PolarHBondContact OE1-O 2.95Å; Q600-F677 HydrophobicContact CG-CE1 4.22Å; Q600-F677 WeakPolarHBondContact O-CZ 3.32Å
601	D	91.2	Very high	94.9	Very high	69 Å²	69	42 Å²	42	37%	0.369	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.1	42.3	-177.9	-53.9	-53.9	0	0	0	113.1	E603 R674 F677 K679	D601-E603 VanDerWaalsContact C-N 3.29Å; D601-E603 PolarHBondContact O-N 2.83Å; D601-R674 IonicContact OD1-CZ 3.24Å; D601-R674 IonicContact OD1-NH2 3.48Å; D601-R674 PolarHBondContact OD1-NH2 3.3Å; D601-R674 IonicContact OD2-CZ 3.36Å; D601-R674 IonicContact OD2-NE 3.26Å; D601-R674 IonicContact OD2-NH2 2.72Å; D601-R674 PolarHBondContact OD2-NH2 3.23Å; D601-F677 HydrophobicContact CB-CZ 4.1Å; D601-K679 WeakPolarHBondContact O-CE 3.49Å; D601-K679 PolarHBondContact O-NZ 2.9Å
602	D	90.9	Very high	94.9	Very high	141 Å²	141	43.8 Å²	43.8	75%	0.754	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.2	17	-175.7	-53.5	-40.3	0	0	0	116.9	Q600	Q600-D602 PolarHBondContact O-N 3.41Å; Q600-D602 VanDerWaalsContact O-N 3.14Å
603	E	93.6	Very high	95	Very high	84 Å²	84	43.7 Å²	43.7	39%	0.393	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	147.6	169.5	-57.2	-61.4	148.2	0	0	111.3	I599 Q600 D601 I605 F677 K679	I599-E603 CarbonylContact C-O 3.55Å; I599-E603 VanDerWaalsContact CA-O 3.31Å; I599-E603 WeakPolarHBondContact CA-O 3.34Å; Q600-E603 PolarHBondContact N-O 3.44Å; Q600-E603 PolarHBondContact O-N 2.75Å; D601-E603 VanDerWaalsContact C-N 3.29Å; D601-E603 PolarHBondContact O-N 2.83Å; E603-I605 PolarHBondContact O-N 3.01Å; E603-F677 HydrophobicContact CB-CE2 4.08Å; E603-F677 HydrophobicContact CB-CZ 4.07Å; E603-F677 HydrophobicContact CG-CE2 3.69Å; E603-F677 HydrophobicContact CG-CZ 4.12Å; E603-K679 HydrophobicContact CG-CD 4.26Å; E603-K679 HydrophobicContact CG-CG 4.29Å; E603-K679 VanDerWaalsContact OE1-CD 3.25Å; E603-K679 WeakPolarHBondContact OE1-CD 3.31Å; E603-K679 WeakPolarHBondContact OE1-CE 3.36Å; E603-K679 IonicContact OE1-NZ 3.15Å; E603-K679 PolarHBondContact OE1-NZ 3.34Å
604	V	95.1	Very high	95.1	Very high	75 Å²	75	41.2 Å²	41.2	46%	0.455	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	116.5	172.6	-179.1	0	0	0	0	109.2	E597 V598 I599 I607	E597-V604 HydrophobicContact CB-CG1 4.15Å; E597-V604 WeakPolarHBondContact OE2-CG2 3.38Å; V598-V604 CarbonylContact O-C 3.57Å; V598-V604 WeakPolarHBondContact O-CA 3.43Å; I599-V604 HydrophobicContact CG1-CG2 4.38Å; V604-I607 HydrophobicContact CG1-CG1 4.22Å
605	I	93.9	Very high	95.1	Very high	53 Å²	53	40.1 Å²	40.1	27%	0.272	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-22.4	-179.7	60	163.3	0	0	0	113.8	V598 Q600 E603 A629 V675 F677	V598-I605 HydrophobicContact CB-CG1 4.03Å; V598-I605 HydrophobicContact CG1-CD1 3.87Å; V598-I605 HydrophobicContact CG1-CG1 3.8Å; V598-I605 WeakPolarHBondContact O-CG1 3.36Å; V598-I605 PolarHBondContact O-N 2.84Å; Q600-I605 HydrophobicContact CB-CD1 3.98Å; Q600-I605 HydrophobicContact CB-CG1 4.28Å; Q600-I605 HydrophobicContact CB-CG2 3.88Å; E603-I605 PolarHBondContact O-N 3.01Å; I605-A629 HydrophobicContact CD1-CB 4.12Å; I605-V675 HydrophobicContact CD1-CG2 3.89Å; I605-F677 HydrophobicContact CG2-CE1 4.03Å
606	A	94.5	Very high	94.9	Very high	27 Å²	27	38.7 Å²	38.7	22%	0.223	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	155.9	176.2	0	0	0	0	0	111.2	E597 V598	E597-A606 WeakPolarHBondContact CA-O 3.45Å; V598-A606 HydrophobicContact CB-CB 4.16Å; V598-A606 HydrophobicContact CG2-CB 4.18Å; V598-A606 PolarHBondContact N-O 3.45Å
607	I	96.7	Very high	94.7	Very high	114 Å²	114	40 Å²	40	59%	0.585	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-119.2	136.6	165.4	-61.1	176.2	0	0	0	106.6	L596 V604 L634	L596-I607 CarbonylContact O-C 3.57Å; L596-I607 WeakPolarHBondContact O-CA 3.41Å; L596-I607 WeakPolarHBondContact O-CG2 3.31Å; V604-I607 HydrophobicContact CG1-CG1 4.22Å; I607-L634 HydrophobicContact CG2-CD1 4.48Å
608	L	97	Very high	94.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	125.8	-179.1	-52.6	173.3	0	0	0	108.5	V591 S595 L596 V598 D612 F614 T668 C669	V591-L608 HydrophobicContact CG2-CB 4.35Å; S595-L608 CarbonylContact C-O 3.56Å; S595-L608 VanDerWaalsContact CA-O 3.29Å; S595-L608 WeakPolarHBondContact CA-O 3.2Å; L596-L608 HydrophobicContact CB-CB 4.37Å; L596-L608 PolarHBondContact N-O 3.17Å; L596-L608 PolarHBondContact O-N 3.05Å; V598-L608 HydrophobicContact CG2-CD1 3.83Å; V598-L608 HydrophobicContact CG2-CG 4.12Å; L608-D612 WeakPolarHBondContact CA-OD2 3.24Å; L608-D612 HydrophobicContact CB-CB 4.07Å; L608-D612 HydrophobicContact CD2-CB 4.19Å; L608-F614 HydrophobicContact CD1-CB 3.77Å; L608-F614 HydrophobicContact CD1-CD1 3.59Å; L608-F614 HydrophobicContact CD1-CD2 4.33Å; L608-F614 HydrophobicContact CD1-CE1 4.23Å; L608-F614 HydrophobicContact CD1-CG 3.64Å; L608-T668 HydrophobicContact CD2-CG2 3.73Å; L608-C669 HydrophobicContact CD2-CB 4.09Å
609	G	96.1	Very high	94.1	Very high	23 Å²	23	41.1 Å²	41.1	24%	0.237	23%	0.228	C	C	.	.			trans	-111.3	-170.2	177.7	0	0	0	0	0	112.6	V591 G611 D612	V591-G609 VanDerWaalsContact CB-O 3.26Å; V591-G609 WeakPolarHBondContact CB-O 3.37Å; V591-G609 WeakPolarHBondContact CG1-O 3.32Å; G609-G611 PolarHBondContact O-N 3.43Å; G609-D612 PolarHBondContact N-OD2 3.23Å; G609-D612 WeakPolarHBondContact O-CB 3.33Å; G609-D612 PolarHBondContact O-N 2.95Å
610	K	95.1	Very high	93.8	Very high	111 Å²	111	46.5 Å²	46.5	48%	0.483	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	129.3	173.2	174	171	-179	175.8	0	110.4	D548 V592	D548-K610 WeakPolarHBondContact OD2-CE 3.49Å; D548-K610 IonicContact OD2-NZ 2.72Å; D548-K610 PolarHBondContact OD2-NZ 3.26Å; V592-K610 VanDerWaalsContact O-CD 3.24Å; V592-K610 WeakPolarHBondContact O-CD 3.47Å; V592-K610 WeakPolarHBondContact O-CE 3.32Å; V592-K610 WeakPolarHBondContact O-CG 3.46Å
611	G	92.8	Very high	93.3	Very high	34 Å²	34	49.4 Å²	49.4	35%	0.351	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.9	2	177.8	0	0	0	0	0	114.3	H549 V591 G609	H549-G611 PolarHBondContact CE1-O 3.22Å; V591-G611 PolarHBondContact O-N 3.35Å; G609-G611 PolarHBondContact O-N 3.43Å
612	D	95.8	Very high	92.7	Very high	38 Å²	38	52.3 Å²	52.3	20%	0.203	28%	0.284	C	S	.	.			trans	-85.1	155.1	173.9	-77.7	-47.8	0	0	0	113.2	V591 L608 G609 T668	V591-D612 HydrophobicContact CG2-CB 4.4Å; V591-D612 PolarHBondContact N-O 2.91Å; L608-D612 WeakPolarHBondContact CA-OD2 3.24Å; L608-D612 HydrophobicContact CB-CB 4.07Å; L608-D612 HydrophobicContact CD2-CB 4.19Å; G609-D612 PolarHBondContact N-OD2 3.23Å; G609-D612 WeakPolarHBondContact O-CB 3.33Å; G609-D612 PolarHBondContact O-N 2.95Å; D612-T668 HydrophobicContact CB-CG2 4.32Å; D612-T668 WeakPolarHBondContact CB-OG1 3.45Å; D612-T668 WeakPolarHBondContact OD1-CB 3.45Å; D612-T668 WeakPolarHBondContact OD1-CG2 3.5Å; D612-T668 PolarHBondContact OD1-OG1 2.87Å
613	V	96.5	Very high	92.5	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.018	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	132.2	178.4	-163.8	0	0	0	0	110.4	H549 L588 C589 F590 L665 L667 T668 C669	H549-V613 WeakPolarHBondContact CE1-CG2 3.47Å; L588-V613 HydrophobicContact CD1-CG1 3.73Å; L588-V613 HydrophobicContact CG-CG1 4.29Å; C589-V613 WeakPolarHBondContact O-CA 3.35Å; C589-V613 WeakPolarHBondContact O-CG1 3.17Å; F590-V613 HydrophobicContact CD1-CB 4.32Å; F590-V613 HydrophobicContact CD1-CG1 3.83Å; F590-V613 HydrophobicContact CD1-CG2 3.54Å; F590-V613 HydrophobicContact CE1-CB 4.46Å; F590-V613 HydrophobicContact CE1-CG1 3.74Å; F590-V613 HydrophobicContact CE1-CG2 3.78Å; F590-V613 HydrophobicContact CE2-CG1 4.46Å; F590-V613 HydrophobicContact CG-CG1 4.22Å; F590-V613 HydrophobicContact CG-CG2 4.43Å; F590-V613 HydrophobicContact CZ-CG1 4.08Å; V613-L665 HydrophobicContact CB-CD1 4.37Å; V613-L665 HydrophobicContact CG1-CD1 4.24Å; V613-L665 HydrophobicContact CG2-CD1 4Å; V613-L667 HydrophobicContact CB-CD2 4.17Å; V613-L667 HydrophobicContact CG1-CD2 3.71Å; V613-L667 CarbonylContact O-C 3.47Å; V613-T668 PolarHBondContact N-OG1 3.46Å; V613-T668 PolarHBondContact O-N 2.8Å; V613-C669 PolarHBondContact O-N 2.9Å
614	F	95.6	Very high	92.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	158	179.8	68.9	-78	0	0	0	112.5	I578 F579 C589 V591 L596 L608 V631 L639 C669 L671	I578-F614 HydrophobicContact CG2-CE2 4.41Å; I578-F614 HydrophobicContact CG2-CZ 4.45Å; F579-F614 HydrophobicContact CD2-CD2 4.32Å; F579-F614 AromaticContact CD2-CE2 3.86Å; F579-F614 HydrophobicContact CD2-CE2 3.86Å; F579-F614 HydrophobicContact CE2-CD2 4.14Å; F579-F614 AromaticContact CE2-CE2 3.73Å; F579-F614 HydrophobicContact CE2-CE2 3.73Å; C589-F614 HydrophobicContact CB-CD1 3.83Å; C589-F614 HydrophobicContact CB-CD2 4.17Å; C589-F614 HydrophobicContact CB-CE1 3.4Å; C589-F614 VanDerWaalsContact CB-CE1 3.4Å; C589-F614 HydrophobicContact CB-CE2 3.78Å; C589-F614 HydrophobicContact CB-CG 4.21Å; C589-F614 HydrophobicContact CB-CZ 3.39Å; C589-F614 PolarHBondContact N-O 3.41Å; C589-F614 PolarHBondContact O-N 2.91Å; V591-F614 HydrophobicContact CG2-CD1 3.95Å; V591-F614 HydrophobicContact CG2-CE1 3.68Å; L596-F614 HydrophobicContact CD2-CZ 4.18Å; L608-F614 HydrophobicContact CD1-CB 3.77Å; L608-F614 HydrophobicContact CD1-CD1 3.59Å; L608-F614 HydrophobicContact CD1-CD2 4.33Å; L608-F614 HydrophobicContact CD1-CE1 4.23Å; L608-F614 HydrophobicContact CD1-CG 3.64Å; F614-V631 HydrophobicContact CD2-CG1 4.35Å; F614-V631 HydrophobicContact CD2-CG2 4.29Å; F614-V631 HydrophobicContact CE2-CB 4.39Å; F614-V631 HydrophobicContact CE2-CG1 3.82Å; F614-V631 HydrophobicContact CE2-CG2 4.28Å; F614-V631 HydrophobicContact CZ-CG1 4.22Å; F614-L639 HydrophobicContact CE1-CD2 4.11Å; F614-L639 HydrophobicContact CZ-CD1 4.06Å; F614-L639 HydrophobicContact CZ-CD2 4.39Å; F614-C669 VanDerWaalsContact CA-O 3.3Å; F614-C669 WeakPolarHBondContact CA-O 3.2Å; F614-C669 HydrophobicContact CB-CB 4.23Å; F614-L671 HydrophobicContact CD2-CD1 4.3Å
615	G	93.7	Very high	91.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	135.4	-131.4	-172.9	0	0	0	0	0	110.5	C669 N670 L671	G615-C669 PolarHBondContact N-O 2.93Å; G615-N670 WeakPolarHBondContact O-CA 3.27Å; G615-L671 PolarHBondContact O-N 3.18Å
616	D	93.7	Very high	91.7	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.283	C	S	.	.			trans	-144.4	161.5	-177.8	-174.5	49	0	0	0	113.2	V585 F618 E621 N670 R672	V585-D616 HydrophobicContact CB-CB 4.28Å; V585-D616 HydrophobicContact CG1-CB 3.73Å; D616-F618 HydrophobicContact CB-CD1 4.14Å; D616-F618 HydrophobicContact CB-CE1 3.77Å; D616-F618 PolarHBondContact O-N 2.86Å; D616-F618 VanDerWaalsContact O-N 3.14Å; D616-E621 VanDerWaalsContact OD1-OE2 3.12Å; D616-N670 PolarHBondContact OD1-ND2 3.29Å; D616-R672 WeakPolarHBondContact OD1-CB 3.48Å; D616-R672 IonicContact OD1-NE 3.9Å; D616-R672 PolarHBondContact OD1-NE 3.38Å; D616-R672 IonicContact OD2-CZ 2.6Å; D616-R672 IonicContact OD2-NE 2.68Å; D616-R672 PolarHBondContact OD2-NE 3.46Å; D616-R672 IonicContact OD2-NH2 3.13Å; D616-R672 PolarHBondContact OD2-NH2 2.92Å
617	V	92.9	Very high	91.7	Very high	27 Å²	27	51.9 Å²	51.9	16%	0.164	27%	0.273	C	S	.	.			trans	-92.9	65.4	-168.8	-166.4	0	0	0	0	111	W619 K620 E621 L667	V617-W619 HydrophobicContact CG1-CD2 4.11Å; V617-W619 HydrophobicContact CG1-CH2 4.04Å; V617-W619 HydrophobicContact CG1-CZ2 3.59Å; V617-W619 HydrophobicContact CG1-CZ3 4.49Å; V617-W619 PolarHBondContact O-N 3.41Å; V617-K620 HydrophobicContact CG1-CB 3.95Å; V617-K620 HydrophobicContact CG1-CD 3.81Å; V617-K620 HydrophobicContact CG1-CG 3.83Å; V617-K620 PolarHBondContact O-N 3.49Å; V617-E621 PolarHBondContact O-N 2.86Å; V617-E621 VanDerWaalsContact O-N 3.09Å; V617-L667 HydrophobicContact CG2-CD1 3.64Å; V617-L667 HydrophobicContact CG2-CG 4.27Å
618	F	91.9	Very high	91.5	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.009	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-32.7	-168.5	-54.9	-36.9	0	0	0	116	V585 D586 L588 D616 R644 L647 M648	V585-F618 WeakPolarHBondContact O-CE1 3.22Å; D586-F618 VanDerWaalsContact C-CZ 3.48Å; L588-F618 HydrophobicContact CB-CE2 3.84Å; D616-F618 HydrophobicContact CB-CD1 4.14Å; D616-F618 HydrophobicContact CB-CE1 3.77Å; D616-F618 PolarHBondContact O-N 2.86Å; D616-F618 VanDerWaalsContact O-N 3.14Å; F618-R644 HydrophobicContact CB-CG 4.04Å; F618-R644 HydrophobicContact CD1-CB 4.26Å; F618-R644 HydrophobicContact CD1-CG 4.03Å; F618-R644 HydrophobicContact CD2-CB 3.72Å; F618-R644 HydrophobicContact CD2-CG 3.95Å; F618-R644 HydrophobicContact CE1-CB 4.25Å; F618-R644 HydrophobicContact CE1-CG 4.46Å; F618-R644 HydrophobicContact CE2-CB 3.73Å; F618-R644 HydrophobicContact CE2-CG 4.41Å; F618-R644 HydrophobicContact CG-CB 4Å; F618-R644 HydrophobicContact CG-CG 3.75Å; F618-R644 HydrophobicContact CZ-CB 4.02Å; F618-R644 PolarHBondContact O-NH2 2.86Å; F618-L647 HydrophobicContact CD2-CD2 4.28Å; F618-M648 HydrophobicContact CB-SD 4.22Å
619	W	89.6	Confident	91.4	Very high	43 Å²	43	48.3 Å²	48.3	16%	0.163	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-5.9	-178	61.8	90.6	0	0	0	114.1	L588 V617 L647 M648 L651 F661 S662 L665	L588-W619 HydrophobicContact CD2-CZ3 4.4Å; V617-W619 HydrophobicContact CG1-CD2 4.11Å; V617-W619 HydrophobicContact CG1-CH2 4.04Å; V617-W619 HydrophobicContact CG1-CZ2 3.59Å; V617-W619 HydrophobicContact CG1-CZ3 4.49Å; V617-W619 PolarHBondContact O-N 3.41Å; W619-L647 HydrophobicContact CE3-CD2 4.34Å; W619-L647 HydrophobicContact CZ3-CD2 4.25Å; W619-M648 HydrophobicContact CB-CE 4.4Å; W619-M648 HydrophobicContact CB-SD 3.87Å; W619-L651 HydrophobicContact CB-CD1 3.94Å; W619-L651 HydrophobicContact CD2-CD1 4.48Å; W619-L651 HydrophobicContact CE3-CD1 4.37Å; W619-L651 HydrophobicContact CG-CD1 4.33Å; W619-F661 HydrophobicContact CD2-CD1 4.34Å; W619-F661 HydrophobicContact CD2-CE1 4.23Å; W619-F661 HydrophobicContact CE3-CD1 4.42Å; W619-F661 AromaticContact CE3-CE1 3.87Å; W619-F661 HydrophobicContact CE3-CE1 3.87Å; W619-F661 AromaticContact CH2-CE1 3.9Å; W619-F661 HydrophobicContact CH2-CE1 3.9Å; W619-F661 HydrophobicContact CZ2-CD1 4.38Å; W619-F661 HydrophobicContact CZ2-CE1 4.21Å; W619-F661 AromaticContact CZ3-CE1 3.71Å; W619-F661 HydrophobicContact CZ3-CE1 3.71Å; W619-F661 HydrophobicContact CZ3-CZ 4.48Å; W619-S662 VanDerWaalsContact CD1-OG 3.25Å; W619-S662 VanDerWaalsContact NE1-CA 3.3Å; W619-S662 VanDerWaalsContact NE1-CB 3.29Å; W619-S662 PolarHBondContact NE1-OG 3.14Å; W619-L665 HydrophobicContact CH2-CB 4.48Å; W619-L665 HydrophobicContact CH2-CD2 3.61Å; W619-L665 HydrophobicContact CH2-CG 4.17Å; W619-L665 HydrophobicContact CZ2-CB 4.4Å; W619-L665 HydrophobicContact CZ2-CD2 4.31Å; W619-L665 HydrophobicContact CZ3-CD2 4.31Å
620	K	88.4	Confident	91.4	Very high	131 Å²	131	49 Å²	49	57%	0.57	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	-28.6	168.1	-62.5	-176.7	-170.2	165.6	0	111.7	V617 S662	V617-K620 HydrophobicContact CG1-CB 3.95Å; V617-K620 HydrophobicContact CG1-CD 3.81Å; V617-K620 HydrophobicContact CG1-CG 3.83Å; V617-K620 PolarHBondContact O-N 3.49Å; K620-S662 WeakPolarHBondContact CE-OG 3.44Å; K620-S662 PolarHBondContact NZ-O 2.99Å
621	E	84.9	Confident	91.5	Very high	62 Å²	62	43.7 Å²	43.7	29%	0.29	23%	0.233	S	C	.	.			trans	-121	101.1	-171.7	-63.4	177.2	143.7	0	0	111	D616 V617 T623 R644 R672	D616-E621 VanDerWaalsContact OD1-OE2 3.12Å; V617-E621 PolarHBondContact O-N 2.86Å; V617-E621 VanDerWaalsContact O-N 3.09Å; E621-T623 VanDerWaalsContact C-N 3.28Å; E621-T623 PolarHBondContact O-N 3.39Å; E621-R644 PolarHBondContact O-NH1 3.38Å; E621-R644 PolarHBondContact O-NH2 3.47Å; E621-R672 IonicContact OE1-NE 3.39Å; E621-R672 WeakPolarHBondContact OE2-CD 3.41Å; E621-R672 IonicContact OE2-CZ 2.8Å; E621-R672 IonicContact OE2-NE 3.92Å; E621-R672 PolarHBondContact OE2-NE 3.46Å; E621-R672 IonicContact OE2-NH2 2.73Å
622	T	78.1	Confident	91.6	Very high	131 Å²	131	46.6 Å²	46.6	80%	0.804	23%	0.234	S	C	*	.			trans	-69.7	-15.3	-170.7	49.4	0	0	0	0	115.4	R644	T622-R644 PolarHBondContact O-NH2 2.97Å; T622-R644 VanDerWaalsContact O-NH2 3.08Å
623	T	86.3	Confident	91.6	Very high	82 Å²	82	44.9 Å²	44.9	50%	0.503	22%	0.224	S	C	.	.	S	Bend	trans	-92.6	149.1	175	56.4	0	0	0	0	111.6	E621 R644 R672	E621-T623 VanDerWaalsContact C-N 3.28Å; E621-T623 PolarHBondContact O-N 3.39Å; T623-R644 PolarHBondContact O-NH1 2.71Å; T623-R672 PolarHBondContact O-NH2 3.39Å; T623-R672 PolarHBondContact OG1-NH1 3.17Å
624	P	84.8	Confident	91.5	Very high	85 Å²	85	48.3 Å²	48.3	55%	0.552	24%	0.242	S	C	*	.	P	Polyproline II helix	trans	-67	144.4	167	29.1	-33.8	0	0	0	110.8
625	A	89.4	Confident	91.3	Very high	6 Å²	6	51 Å²	51	5%	0.05	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	159.1	176.4	0	0	0	0	0	111.7	S584 V585 R672	S584-A625 WeakPolarHBondContact CA-O 3.49Å; V585-A625 HydrophobicContact CB-CB 4.23Å; V585-A625 HydrophobicContact CG2-CB 4.34Å; V585-A625 PolarHBondContact N-O 2.98Å; A625-R672 HydrophobicContact CB-CB 3.69Å; A625-R672 HydrophobicContact CB-CG 3.81Å
626	R	92.9	Very high	91.1	Very high	195 Å²	195	58.1 Å²	58.1	74%	0.736	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.1	136.7	156.5	-67.8	-173.9	-175	173.6	0.2	109.5	E583 C628	E583-R626 CarbonylContact O-C 3.59Å; E583-R626 VanDerWaalsContact O-CA 3.25Å; E583-R626 WeakPolarHBondContact O-CA 3.28Å; R626-C628 PolarHBondContact O-N 3.38Å
627	A	93.4	Very high	91	Very high	3 Å²	3	58.1 Å²	58.1	3%	0.025	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-64.6	124.6	174.7	0	0	0	0	0	110.1	H580 G582 E583 V585	H580-A627 WeakPolarHBondContact O-CB 3.41Å; G582-A627 PolarHBondContact N-O 2.99Å; E583-A627 PolarHBondContact O-N 3.46Å; V585-A627 HydrophobicContact CG2-CB 3.77Å
628	C	93.4	Very high	91	Very high	36 Å²	36	59 Å²	59	24%	0.243	29%	0.291	C	S	.	.	S	Bend	trans	-86.1	-10	177.7	-68.4	0	0	0	0	112.9	Q600 R626 L671 R672 R674	Q600-C628 VanDerWaalsContact NE2-C 3.34Å; Q600-C628 PolarHBondContact NE2-O 3.41Å; R626-C628 PolarHBondContact O-N 3.38Å; C628-L671 WeakPolarHBondContact CB-O 3.46Å; C628-L671 PolarHBondContact N-O 2.9Å; C628-R672 PolarHBondContact SG-O 3.27Å; C628-R674 HydrophobicContact CB-CB 4.19Å
629	A	94.6	Very high	91.1	Very high	3 Å²	3	59 Å²	59	3%	0.025	29%	0.291	C	S	.	.	S	Bend	trans	-140	152.5	-176.9	0	0	0	0	0	110.7	V598 I599 Q600 I605	V598-A629 HydrophobicContact CG1-CB 3.49Å; V598-A629 VanDerWaalsContact CG1-CB 3.49Å; I599-A629 CarbonylContact O-C 3.46Å; I599-A629 WeakPolarHBondContact O-CA 3.42Å; I599-A629 WeakPolarHBondContact O-CB 3.47Å; Q600-A629 HydrophobicContact CB-CB 4.03Å; I605-A629 HydrophobicContact CD1-CB 4.12Å
630	N	95.8	Very high	91.4	Very high	37 Å²	37	57.4 Å²	57.4	20%	0.198	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	146.2	166.6	-70	-38.9	0	0	0	108.7	L577 F579 H580 I581 V598 I599	L577-N630 HydrophobicContact CD2-CB 3.93Å; F579-N630 WeakPolarHBondContact O-CA 3.41Å; H580-N630 WeakPolarHBondContact CA-OD1 3.43Å; I581-N630 HydrophobicContact CG1-CB 4.47Å; I581-N630 WeakPolarHBondContact CG1-OD1 3.24Å; I581-N630 PolarHBondContact N-OD1 2.77Å; V598-N630 CarbonylContact C-O 3.48Å; V598-N630 WeakPolarHBondContact CA-O 3.41Å; I599-N630 HydrophobicContact CB-CB 4.36Å; I599-N630 PolarHBondContact N-O 3.17Å; I599-N630 PolarHBondContact O-N 3.01Å
631	V	96.4	Very high	91.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	119.9	170.6	-176.2	0	0	0	0	108.8	L577 I578 F579 L596 V598 F614 L671	L577-V631 CarbonylContact C-O 3.58Å; L577-V631 WeakPolarHBondContact CA-O 3.34Å; I578-V631 HydrophobicContact CB-CB 4.46Å; I578-V631 PolarHBondContact N-O 3.23Å; F579-V631 HydrophobicContact CB-CB 4.45Å; F579-V631 HydrophobicContact CB-CG2 4.27Å; F579-V631 HydrophobicContact CD2-CG2 4.21Å; F579-V631 PolarHBondContact O-N 2.97Å; L596-V631 HydrophobicContact CB-CG1 4.37Å; L596-V631 HydrophobicContact CD2-CG1 3.93Å; V598-V631 HydrophobicContact CG1-CG2 4.37Å; V598-V631 HydrophobicContact CG2-CG2 4.31Å; F614-V631 HydrophobicContact CD2-CG1 4.35Å; F614-V631 HydrophobicContact CD2-CG2 4.29Å; F614-V631 HydrophobicContact CE2-CB 4.39Å; F614-V631 HydrophobicContact CE2-CG1 3.82Å; F614-V631 HydrophobicContact CE2-CG2 4.28Å; F614-V631 HydrophobicContact CZ-CG1 4.22Å; V631-L671 HydrophobicContact CG2-CD1 4.12Å; V631-L671 HydrophobicContact CG2-CD2 3.79Å
632	R	95.4	Very high	92.3	Very high	95 Å²	95	48.9 Å²	48.9	36%	0.358	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	136.8	-176.1	-170.3	165	66.1	-169.4	-1.7	111.4	D576 L577 L596 E597 I599	D576-R632 CarbonylContact O-C 3.58Å; D576-R632 VanDerWaalsContact O-CA 3.27Å; D576-R632 WeakPolarHBondContact O-CA 3.46Å; D576-R632 WeakPolarHBondContact O-CG 3.24Å; L577-R632 HydrophobicContact CD2-CB 3.78Å; L577-R632 HydrophobicContact CD2-CG 4.23Å; L596-R632 CarbonylContact C-O 3.56Å; L596-R632 VanDerWaalsContact CA-O 3.23Å; L596-R632 WeakPolarHBondContact CA-O 3.32Å; L596-R632 WeakPolarHBondContact CB-O 3.38Å; E597-R632 HydrophobicContact CG-CB 3.94Å; E597-R632 PolarHBondContact N-O 3.41Å; E597-R632 PolarHBondContact O-N 3.3Å; E597-R632 IonicContact OE1-CZ 3.21Å; E597-R632 IonicContact OE1-NE 2.76Å; E597-R632 PolarHBondContact OE1-NE 2.91Å; E597-R632 IonicContact OE1-NH2 3.87Å; E597-R632 PolarHBondContact OE1-NH2 2.97Å; E597-R632 IonicContact OE2-NH2 2.74Å; I599-R632 HydrophobicContact CD1-CB 4.38Å
633	A	95.3	Very high	93.1	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.008	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	131.4	171.1	0	0	0	0	0	111	C572 A573 G575 D576 I578	C572-A633 HydrophobicContact CB-CB 4.13Å; A573-A633 WeakPolarHBondContact O-CB 3.38Å; G575-A633 PolarHBondContact N-O 2.96Å; D576-A633 PolarHBondContact O-N 3.41Å; I578-A633 HydrophobicContact CD1-CB 4.07Å
634	L	94.4	Very high	93.5	Very high	75 Å²	75	46 Å²	46	39%	0.393	21%	0.214	S	C	.	.	S	Bend	trans	-88.8	-36.7	173.7	-69	171.2	0	0	0	111.5	S595 E597 I607	S595-L634 WeakPolarHBondContact O-CB 3.4Å; S595-L634 PolarHBondContact O-N 3.18Å; E597-L634 HydrophobicContact CB-CD1 4.24Å; E597-L634 HydrophobicContact CB-CD2 4.41Å; E597-L634 HydrophobicContact CB-CG 4.27Å; E597-L634 HydrophobicContact CG-CD2 4.02Å; E597-L634 HydrophobicContact CG-CG 4.19Å; E597-L634 VanDerWaalsContact OE1-CD2 3.31Å; E597-L634 WeakPolarHBondContact OE1-CD2 3.38Å; I607-L634 HydrophobicContact CG2-CD1 4.48Å
635	T	92.4	Very high	93.9	Very high	57 Å²	57	49.2 Å²	49.2	35%	0.35	22%	0.221	S	C	.	.	S	Bend	trans	-116.9	-179.2	176.9	60.3	0	0	0	0	110.2	G594 S595 C637	G594-T635 WeakPolarHBondContact CA-OG1 3.19Å; S595-T635 PolarHBondContact N-OG1 3.38Å; S595-T635 PolarHBondContact O-N 3.3Å; S595-T635 WeakPolarHBondContact OG-CG2 3.3Å; T635-C637 PolarHBondContact O-N 2.88Å; T635-C637 PolarHBondContact O-SG 3.39Å
636	Y	89.1	Confident	94.2	Very high	149 Å²	149	49 Å²	49	58%	0.584	22%	0.219	S	C	*	.			trans	-57.5	132.5	154.2	-66.6	-78.5	0	0	0	108.4	C572 A573 P574 G594	C572-Y636 VanDerWaalsContact O-CA 3.32Å; C572-Y636 WeakPolarHBondContact O-CA 3.3Å; A573-Y636 HydrophobicContact CB-CD1 4.19Å; A573-Y636 HydrophobicContact CB-CE1 3.82Å; P574-Y636 HydrophobicContact CG-CD2 4.08Å; P574-Y636 HydrophobicContact CG-CE2 3.99Å; P574-Y636 HydrophobicContact CG-CG 4.42Å; G594-Y636 WeakPolarHBondContact CA-O 3.25Å
637	C	91.6	Very high	94.3	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.007	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	135.4	-175.3	-60.9	0	0	0	0	110.7	H571 C572 S593 S595 L596 T635	H571-C637 WeakPolarHBondContact CA-O 3.4Å; C572-C637 HydrophobicContact CB-CB 4.41Å; C572-C637 PolarHBondContact N-O 3.4Å; C572-C637 PolarHBondContact O-N 3.22Å; S593-C637 WeakPolarHBondContact O-CA 3.5Å; S595-C637 PolarHBondContact N-SG 2.92Å; S595-C637 VanDerWaalsContact N-SG 3.42Å; S595-C637 PolarHBondContact O-SG 3.13Å; L596-C637 HydrophobicContact CD1-CB 4.26Å; T635-C637 PolarHBondContact O-N 2.88Å; T635-C637 PolarHBondContact O-SG 3.39Å
638	D	92.1	Very high	94.4	Very high	45 Å²	45	41.7 Å²	41.7	24%	0.241	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	108.1	173.6	-57.9	-39.3	0	0	0	108	H571 V592 S593	H571-D638 IonicContact CE1-OD1 3.15Å; H571-D638 PolarHBondContact CE1-OD1 2.83Å; H571-D638 IonicContact CG-OD1 3.58Å; H571-D638 IonicContact ND1-OD1 3.66Å; H571-D638 PolarHBondContact ND1-OD1 3Å; V592-D638 PolarHBondContact N-O 3.15Å; S593-D638 VanDerWaalsContact CB-OD2 3.26Å; S593-D638 WeakPolarHBondContact CB-OD2 3.28Å; S593-D638 PolarHBondContact N-O 3.19Å; S593-D638 PolarHBondContact O-N 3.34Å
639	L	94.6	Very high	94.5	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	135.9	178.7	-60.1	-176.5	0	0	0	109.8	T569 T570 I578 V591 L596 F614 V641	T569-L639 CarbonylContact C-O 3.57Å; T569-L639 WeakPolarHBondContact CA-O 3.46Å; T570-L639 PolarHBondContact N-O 2.6Å; T570-L639 PolarHBondContact O-N 2.89Å; I578-L639 HydrophobicContact CG1-CD1 3.9Å; I578-L639 HydrophobicContact CG2-CD1 4.11Å; V591-L639 HydrophobicContact CB-CD2 4.3Å; V591-L639 HydrophobicContact CG1-CD2 4.37Å; V591-L639 HydrophobicContact CG2-CD2 3.91Å; L596-L639 HydrophobicContact CD1-CD2 4.06Å; L596-L639 HydrophobicContact CD2-CD1 4.27Å; L596-L639 HydrophobicContact CD2-CD2 4.31Å; F614-L639 HydrophobicContact CE1-CD2 4.11Å; F614-L639 HydrophobicContact CZ-CD1 4.06Å; F614-L639 HydrophobicContact CZ-CD2 4.39Å; L639-V641 HydrophobicContact CB-CG1 4.12Å
640	H	95.7	Very high	94.5	Very high	10 Å²	10	46.7 Å²	46.7	5%	0.046	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	116.6	168.1	-77.4	-123.9	0	0	0	107.6	N542 V545 F567 Q568 T569 F590 V592	N542-H640 PolarHBondContact OD1-ND1 3.08Å; V545-H640 HydrophobicContact CG2-CB 3.53Å; F567-H640 HydrophobicContact CD1-CB 4.24Å; F567-H640 HydrophobicContact CE1-CB 4.41Å; Q568-H640 WeakPolarHBondContact O-CA 3.49Å; T569-H640 PolarHBondContact OG1-CE1 2.96Å; T569-H640 PolarHBondContact OG1-NE2 2.84Å; F590-H640 HydrophobicContact CB-CB 4.44Å; F590-H640 WeakPolarHBondContact CD2-O 3.34Å; F590-H640 PolarHBondContact N-O 2.88Å; F590-H640 PolarHBondContact O-N 2.82Å; V592-H640 HydrophobicContact CG2-CB 4.12Å; V592-H640 WeakPolarHBondContact CG2-CD2 3.31Å
641	V	95.6	Very high	94.5	Very high	14 Å²	14	45.1 Å²	45.1	9%	0.085	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	142.8	-171.1	-51.6	0	0	0	0	110.8	F567 Q568 L588 C589 L639	F567-V641 WeakPolarHBondContact CA-O 3.4Å; F567-V641 WeakPolarHBondContact CD1-O 3.38Å; Q568-V641 HydrophobicContact CB-CG2 3.97Å; Q568-V641 PolarHBondContact N-O 3.28Å; Q568-V641 PolarHBondContact O-N 3.09Å; L588-V641 WeakPolarHBondContact O-CA 3.45Å; C589-V641 HydrophobicContact CB-CG1 4.21Å; C589-V641 VanDerWaalsContact SG-CG1 3.59Å; L639-V641 HydrophobicContact CB-CG1 4.12Å
642	I	96.5	Very high	94.4	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	131.9	172.2	-170.4	168.3	0	0	0	110.2	L563 E566 F567 L588 F590 L647	L563-I642 HydrophobicContact CD2-CD1 4.02Å; E566-I642 HydrophobicContact CB-CD1 4.35Å; F567-I642 HydrophobicContact CD1-CB 3.97Å; F567-I642 HydrophobicContact CD2-CD1 4.05Å; F567-I642 HydrophobicContact CE1-CB 3.89Å; F567-I642 HydrophobicContact CE1-CG2 3.99Å; F567-I642 HydrophobicContact CE2-CB 4.43Å; F567-I642 HydrophobicContact CE2-CD1 4.01Å; F567-I642 HydrophobicContact CG-CB 4.28Å; F567-I642 HydrophobicContact CZ-CB 4.14Å; F567-I642 HydrophobicContact CZ-CD1 4.48Å; F567-I642 HydrophobicContact CZ-CG2 3.99Å; L588-I642 HydrophobicContact CB-CG2 4.02Å; L588-I642 HydrophobicContact CD2-CG2 4.23Å; L588-I642 HydrophobicContact CG-CG2 4.49Å; L588-I642 PolarHBondContact N-O 3.32Å; L588-I642 PolarHBondContact O-N 2.92Å; F590-I642 HydrophobicContact CE2-CG2 4.29Å; I642-L647 HydrophobicContact CD1-CB 4.08Å; I642-L647 HydrophobicContact CD1-CD1 4.27Å; I642-L647 HydrophobicContact CG1-CB 4.18Å; I642-L647 HydrophobicContact CG2-CB 4.41Å; I642-L647 HydrophobicContact CG2-CD2 4.31Å
643	R	95.3	Very high	94.4	Very high	115 Å²	115	52.9 Å²	52.9	43%	0.434	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	141.8	-179.7	-72.2	-179.7	-69.5	163.6	0.8	111.2	T587 E645 A646 L647	T587-R643 HydrophobicContact CG2-CB 4.42Å; T587-R643 HydrophobicContact CG2-CG 3.66Å; R643-E645 VanDerWaalsContact C-N 3.34Å; R643-E645 PolarHBondContact O-N 3.39Å; R643-A646 WeakPolarHBondContact O-CB 3.49Å; R643-A646 PolarHBondContact O-N 3.43Å; R643-L647 PolarHBondContact O-N 2.87Å
644	R	93.6	Very high	94.4	Very high	37 Å²	37	55.4 Å²	55.4	14%	0.14	25%	0.251	C	S	.	.	H	α-helix	trans	-45.5	-53.2	179.5	172.2	175.6	-177.4	112.6	17.7	112.7	D586 F618 E621 T622 T623 A646 L647 M648	D586-R644 WeakPolarHBondContact O-CA 3.31Å; D586-R644 WeakPolarHBondContact O-CB 3.41Å; D586-R644 PolarHBondContact O-N 2.9Å; F618-R644 HydrophobicContact CB-CG 4.04Å; F618-R644 HydrophobicContact CD1-CB 4.26Å; F618-R644 HydrophobicContact CD1-CG 4.03Å; F618-R644 HydrophobicContact CD2-CB 3.72Å; F618-R644 HydrophobicContact CD2-CG 3.95Å; F618-R644 HydrophobicContact CE1-CB 4.25Å; F618-R644 HydrophobicContact CE1-CG 4.46Å; F618-R644 HydrophobicContact CE2-CB 3.73Å; F618-R644 HydrophobicContact CE2-CG 4.41Å; F618-R644 HydrophobicContact CG-CB 4Å; F618-R644 HydrophobicContact CG-CG 3.75Å; F618-R644 HydrophobicContact CZ-CB 4.02Å; F618-R644 PolarHBondContact O-NH2 2.86Å; E621-R644 PolarHBondContact O-NH1 3.38Å; E621-R644 PolarHBondContact O-NH2 3.47Å; T622-R644 PolarHBondContact O-NH2 2.97Å; T622-R644 VanDerWaalsContact O-NH2 3.08Å; T623-R644 PolarHBondContact O-NH1 2.71Å; R644-A646 VanDerWaalsContact C-N 3.29Å; R644-A646 PolarHBondContact O-N 2.92Å; R644-L647 PolarHBondContact O-N 3.04Å; R644-M648 HydrophobicContact CG-CG 4.5Å; R644-M648 WeakPolarHBondContact O-CB 3.49Å; R644-M648 VanDerWaalsContact O-CG 3.28Å; R644-M648 WeakPolarHBondContact O-CG 3.47Å; R644-M648 PolarHBondContact O-N 3.02Å
645	E	93.9	Very high	94.4	Very high	152 Å²	152	56.2 Å²	56.2	71%	0.71	26%	0.259	S	S	*	.	H	α-helix	trans	-62.3	-37	-177.5	-60.1	-176.9	164.4	0	0	112.5	R643 R649	R643-E645 VanDerWaalsContact C-N 3.34Å; R643-E645 PolarHBondContact O-N 3.39Å; E645-R649 WeakPolarHBondContact O-CB 3.38Å; E645-R649 VanDerWaalsContact O-CG 3.29Å; E645-R649 WeakPolarHBondContact O-CG 3.44Å; E645-R649 PolarHBondContact O-N 3.01Å; E645-R649 PolarHBondContact O-NE 3.15Å
646	A	95.7	Very high	94.3	Very high	2 Å²	2	57.5 Å²	57.5	2%	0.017	28%	0.275	C	S	.	.	H	α-helix	trans	-73.8	-46.1	179	0	0	0	0	0	111.9	E566 R643 R644 M648 R649 V650	E566-A646 HydrophobicContact CB-CB 3.78Å; E566-A646 HydrophobicContact CG-CB 3.96Å; E566-A646 WeakPolarHBondContact OE2-CB 3.39Å; R643-A646 WeakPolarHBondContact O-CB 3.49Å; R643-A646 PolarHBondContact O-N 3.43Å; R644-A646 VanDerWaalsContact C-N 3.29Å; R644-A646 PolarHBondContact O-N 2.92Å; A646-M648 PolarHBondContact O-N 3.42Å; A646-R649 PolarHBondContact O-N 3.42Å; A646-V650 WeakPolarHBondContact O-CG2 3.37Å; A646-V650 PolarHBondContact O-N 2.73Å; A646-V650 VanDerWaalsContact O-N 3.15Å
647	L	95.4	Very high	94.6	Very high	2 Å²	2	51 Å²	51	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-59	-47.2	174.8	179.7	59.2	0	0	0	110.8	L563 L588 F618 W619 I642 R643 R644 V650 L651 F661	L563-L647 HydrophobicContact CD2-CD1 3.96Å; L588-L647 HydrophobicContact CD2-CD2 3.66Å; F618-L647 HydrophobicContact CD2-CD2 4.28Å; W619-L647 HydrophobicContact CE3-CD2 4.34Å; W619-L647 HydrophobicContact CZ3-CD2 4.25Å; I642-L647 HydrophobicContact CD1-CB 4.08Å; I642-L647 HydrophobicContact CD1-CD1 4.27Å; I642-L647 HydrophobicContact CG1-CB 4.18Å; I642-L647 HydrophobicContact CG2-CB 4.41Å; I642-L647 HydrophobicContact CG2-CD2 4.31Å; R643-L647 PolarHBondContact O-N 2.87Å; R644-L647 PolarHBondContact O-N 3.04Å; L647-V650 PolarHBondContact O-N 3.49Å; L647-L651 HydrophobicContact CD1-CD1 3.98Å; L647-L651 HydrophobicContact CD1-CD2 4.38Å; L647-L651 HydrophobicContact CD1-CG 3.99Å; L647-L651 HydrophobicContact CD2-CD1 4.45Å; L647-L651 HydrophobicContact CG-CD1 3.8Å; L647-L651 HydrophobicContact CG-CG 4.24Å; L647-L651 VanDerWaalsContact O-CG 3.28Å; L647-L651 WeakPolarHBondContact O-CG 3.46Å; L647-L651 PolarHBondContact O-N 3.09Å; L647-F661 HydrophobicContact CD1-CE1 4.08Å; L647-F661 HydrophobicContact CD1-CZ 3.95Å; L647-F661 HydrophobicContact CD2-CE1 4.09Å; L647-F661 HydrophobicContact CD2-CZ 4.16Å
648	M	94.6	Very high	94.7	Very high	43 Å²	43	52 Å²	52	21%	0.212	26%	0.258	C	S	.	.	H	α-helix	trans	-60.2	-48.6	177.3	-70.4	-55.4	-55.2	0	0	112	F618 W619 R644 A646 V650 L651 D652	F618-M648 HydrophobicContact CB-SD 4.22Å; W619-M648 HydrophobicContact CB-CE 4.4Å; W619-M648 HydrophobicContact CB-SD 3.87Å; R644-M648 HydrophobicContact CG-CG 4.5Å; R644-M648 WeakPolarHBondContact O-CB 3.49Å; R644-M648 VanDerWaalsContact O-CG 3.28Å; R644-M648 WeakPolarHBondContact O-CG 3.47Å; R644-M648 PolarHBondContact O-N 3.02Å; A646-M648 PolarHBondContact O-N 3.42Å; M648-V650 PolarHBondContact O-N 3.15Å; M648-V650 VanDerWaalsContact O-N 3.11Å; M648-L651 PolarHBondContact O-N 3.47Å; M648-L651 VanDerWaalsContact O-N 3.07Å; M648-L651 HydrophobicContact SD-CD1 4.37Å; M648-D652 WeakPolarHBondContact O-CB 3.29Å; M648-D652 PolarHBondContact O-N 2.9Å
649	R	95.5	Very high	94.7	Very high	132 Å²	132	55.3 Å²	55.3	50%	0.498	28%	0.276	S	S	.	.	H	α-helix	trans	-51.6	-37.8	174.9	-81.7	-174.7	-66.9	116.2	-6.9	113.2	E566 E645 A646 F653	E566-R649 IonicContact OE1-CZ 3.77Å; E566-R649 VanDerWaalsContact OE1-CZ 3.23Å; E566-R649 IonicContact OE1-NH1 3.83Å; E566-R649 PolarHBondContact OE1-NH1 3.35Å; E566-R649 IonicContact OE1-NH2 3.93Å; E566-R649 PolarHBondContact OE1-NH2 3.1Å; E566-R649 IonicContact OE2-NH2 2.77Å; E566-R649 PolarHBondContact OE2-NH2 2.98Å; E645-R649 WeakPolarHBondContact O-CB 3.38Å; E645-R649 VanDerWaalsContact O-CG 3.29Å; E645-R649 WeakPolarHBondContact O-CG 3.44Å; E645-R649 PolarHBondContact O-N 3.01Å; E645-R649 PolarHBondContact O-NE 3.15Å; A646-R649 PolarHBondContact O-N 3.42Å; R649-F653 PolarHBondContact O-N 3.17Å
650	V	95.8	Very high	94.7	Very high	11 Å²	11	56.4 Å²	56.4	7%	0.067	28%	0.284	C	S	.	.	H	α-helix	trans	-79.2	-39.3	179.4	-179.2	0	0	0	0	111.7	L563 A646 L647 M648 F653 Y654	L563-V650 HydrophobicContact CD2-CB 4.08Å; L563-V650 HydrophobicContact CD2-CG1 3.7Å; L563-V650 HydrophobicContact CG-CG1 3.89Å; A646-V650 WeakPolarHBondContact O-CG2 3.37Å; A646-V650 PolarHBondContact O-N 2.73Å; A646-V650 VanDerWaalsContact O-N 3.15Å; L647-V650 PolarHBondContact O-N 3.49Å; M648-V650 PolarHBondContact O-N 3.15Å; M648-V650 VanDerWaalsContact O-N 3.11Å; V650-F653 PolarHBondContact O-N 3.14Å; V650-Y654 HydrophobicContact CG1-CD2 3.69Å; V650-Y654 HydrophobicContact CG1-CE2 4.03Å; V650-Y654 WeakPolarHBondContact O-CD2 3.38Å; V650-Y654 PolarHBondContact O-N 2.98Å
651	L	94.9	Very high	94.7	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.021	28%	0.281	C	S	.	.	H	α-helix	trans	-66	-40.2	175.9	-66.3	174.7	0	0	0	112.2	W619 L647 M648 F653 Y654 T655 F657 A658 F661	W619-L651 HydrophobicContact CB-CD1 3.94Å; W619-L651 HydrophobicContact CD2-CD1 4.48Å; W619-L651 HydrophobicContact CE3-CD1 4.37Å; W619-L651 HydrophobicContact CG-CD1 4.33Å; L647-L651 HydrophobicContact CD1-CD1 3.98Å; L647-L651 HydrophobicContact CD1-CD2 4.38Å; L647-L651 HydrophobicContact CD1-CG 3.99Å; L647-L651 HydrophobicContact CD2-CD1 4.45Å; L647-L651 HydrophobicContact CG-CD1 3.8Å; L647-L651 HydrophobicContact CG-CG 4.24Å; L647-L651 VanDerWaalsContact O-CG 3.28Å; L647-L651 WeakPolarHBondContact O-CG 3.46Å; L647-L651 PolarHBondContact O-N 3.09Å; M648-L651 PolarHBondContact O-N 3.47Å; M648-L651 VanDerWaalsContact O-N 3.07Å; M648-L651 HydrophobicContact SD-CD1 4.37Å; L651-F653 VanDerWaalsContact C-N 3.3Å; L651-F653 PolarHBondContact O-N 3.37Å; L651-Y654 CarbonylContact O-C 3.59Å; L651-Y654 VanDerWaalsContact O-C 3.27Å; L651-Y654 PolarHBondContact O-N 2.82Å; L651-T655 PolarHBondContact O-N 3.03Å; L651-F657 HydrophobicContact CD2-CD1 4.11Å; L651-F657 HydrophobicContact CD2-CE1 4.14Å; L651-A658 HydrophobicContact CB-CB 3.92Å; L651-A658 HydrophobicContact CD2-CB 3.95Å; L651-A658 HydrophobicContact CG-CB 4.48Å; L651-F661 HydrophobicContact CD1-CD1 3.97Å; L651-F661 HydrophobicContact CD1-CE1 4.01Å; L651-F661 HydrophobicContact CD2-CB 4.14Å; L651-F661 HydrophobicContact CD2-CD1 3.62Å; L651-F661 HydrophobicContact CD2-CE1 4.16Å; L651-F661 HydrophobicContact CD2-CG 3.95Å; L651-F661 HydrophobicContact CG-CD1 4.46Å
652	D	94.9	Very high	94.5	Very high	106 Å²	106	56.6 Å²	56.6	57%	0.567	29%	0.287	S	S	*	.	H	α-helix	trans	-65.3	-33.2	177.5	-65.3	-25.9	0	0	0	111.8	M648 T655	M648-D652 WeakPolarHBondContact O-CB 3.29Å; M648-D652 PolarHBondContact O-N 2.9Å; D652-T655 VanDerWaalsContact O-CG2 3.24Å; D652-T655 WeakPolarHBondContact O-CG2 3.4Å
653	F	95.8	Very high	94.3	Very high	153 Å²	153	66.3 Å²	66.3	67%	0.671	32%	0.324	S	S	*	.	H	α-helix	trans	-76.9	-44.1	174.2	-172.2	-89.7	0	0	0	112.3	R649 V650 L651 T655	R649-F653 PolarHBondContact O-N 3.17Å; V650-F653 PolarHBondContact O-N 3.14Å; L651-F653 VanDerWaalsContact C-N 3.3Å; L651-F653 PolarHBondContact O-N 3.37Å; F653-T655 PolarHBondContact O-N 3.13Å
654	Y	95.8	Very high	94.2	Very high	54 Å²	54	63.4 Å²	63.4	21%	0.212	32%	0.317	C	S	.	.	S	Bend	trans	-98.4	58.5	179	-62.5	-77.7	0	0	0	111.9	G558 C559 S562 V650 L651 A656 F657 A658	G558-Y654 VanDerWaalsContact C-OH 3.25Å; G558-Y654 PolarHBondContact O-OH 3.36Å; G558-Y654 VanDerWaalsContact O-OH 3.09Å; C559-Y654 HydrophobicContact CB-CD1 4.02Å; C559-Y654 HydrophobicContact CB-CD2 3.93Å; C559-Y654 HydrophobicContact CB-CE1 4.06Å; C559-Y654 HydrophobicContact CB-CE2 3.98Å; C559-Y654 HydrophobicContact CB-CG 3.95Å; C559-Y654 VanDerWaalsContact SG-CD2 3.57Å; S562-Y654 PolarHBondContact OG-OH 3.3Å; S562-Y654 VanDerWaalsContact OG-OH 3.1Å; V650-Y654 HydrophobicContact CG1-CD2 3.69Å; V650-Y654 HydrophobicContact CG1-CE2 4.03Å; V650-Y654 WeakPolarHBondContact O-CD2 3.38Å; V650-Y654 PolarHBondContact O-N 2.98Å; L651-Y654 CarbonylContact O-C 3.59Å; L651-Y654 VanDerWaalsContact O-C 3.27Å; L651-Y654 PolarHBondContact O-N 2.82Å; Y654-A656 PolarHBondContact O-N 3.47Å; Y654-A656 VanDerWaalsContact O-N 3.09Å; Y654-F657 WeakPolarHBondContact O-CA 3.21Å; Y654-F657 WeakPolarHBondContact O-CB 3.46Å; Y654-F657 PolarHBondContact O-N 2.95Å; Y654-A658 PolarHBondContact O-N 2.96Å
655	T	93.3	Very high	94.3	Very high	91 Å²	91	62.3 Å²	62.3	56%	0.558	31%	0.314	S	S	*	.	H	α-helix	trans	-51.5	-36.1	-175.2	59.3	0	0	0	0	114.9	L651 D652 F653 A658 N659	L651-T655 PolarHBondContact O-N 3.03Å; D652-T655 VanDerWaalsContact O-CG2 3.24Å; D652-T655 WeakPolarHBondContact O-CG2 3.4Å; F653-T655 PolarHBondContact O-N 3.13Å; T655-A658 PolarHBondContact O-N 3.3Å; T655-N659 PolarHBondContact O-N 3.3Å; T655-N659 PolarHBondContact O-ND2 3.29Å
656	A	91.4	Very high	94.2	Very high	84 Å²	84	61.8 Å²	61.8	69%	0.694	31%	0.314	S	S	*	.	H	α-helix	trans	-65.5	-40.1	175	0	0	0	0	0	112.4	Y654	Y654-A656 PolarHBondContact O-N 3.47Å; Y654-A656 VanDerWaalsContact O-N 3.09Å
657	F	94.9	Very high	94.1	Very high	14 Å²	14	62.9 Å²	62.9	6%	0.061	32%	0.32	C	S	.	.	H	α-helix	trans	-70.3	-38.5	173.9	174	-109	0	0	0	111.5	A551 F552 A555 C559 L563 L651 Y654 N659 S660 F661	A551-F657 WeakPolarHBondContact O-CE2 3.33Å; F552-F657 HydrophobicContact CD1-CZ 4.04Å; A555-F657 HydrophobicContact CB-CD2 3.94Å; A555-F657 HydrophobicContact CB-CE2 3.58Å; A555-F657 HydrophobicContact CB-CZ 4.02Å; C559-F657 VanDerWaalsContact SG-CD1 3.53Å; L563-F657 HydrophobicContact CD1-CE1 4.23Å; L651-F657 HydrophobicContact CD2-CD1 4.11Å; L651-F657 HydrophobicContact CD2-CE1 4.14Å; Y654-F657 WeakPolarHBondContact O-CA 3.21Å; Y654-F657 WeakPolarHBondContact O-CB 3.46Å; Y654-F657 PolarHBondContact O-N 2.95Å; F657-N659 VanDerWaalsContact C-N 3.26Å; F657-N659 PolarHBondContact O-N 2.98Å; F657-S660 CarbonylContact O-C 3.56Å; F657-S660 WeakPolarHBondContact O-CA 3.38Å; F657-S660 WeakPolarHBondContact O-CB 3.2Å; F657-S660 PolarHBondContact O-N 2.84Å; F657-F661 HydrophobicContact CD1-CB 4.36Å; F657-F661 HydrophobicContact CE1-CB 3.94Å; F657-F661 AromaticContact CE1-CD2 3.85Å; F657-F661 HydrophobicContact CE1-CD2 3.85Å; F657-F661 HydrophobicContact CE1-CG 4.08Å; F657-F661 HydrophobicContact CE2-CB 4.43Å; F657-F661 HydrophobicContact CZ-CB 3.99Å; F657-F661 AromaticContact CZ-CD2 3.64Å; F657-F661 HydrophobicContact CZ-CD2 3.64Å; F657-F661 HydrophobicContact CZ-CG 4.17Å; F657-F661 WeakPolarHBondContact O-CB 3.46Å; F657-F661 PolarHBondContact O-N 3.49Å
658	A	94.2	Very high	94.1	Very high	21 Å²	21	66.3 Å²	66.3	17%	0.174	34%	0.341	C	S	.	.	H	α-helix	trans	-56.9	-37.7	-178.8	0	0	0	0	0	113.4	L651 Y654 T655 F661 S662	L651-A658 HydrophobicContact CB-CB 3.92Å; L651-A658 HydrophobicContact CD2-CB 3.95Å; L651-A658 HydrophobicContact CG-CB 4.48Å; Y654-A658 PolarHBondContact O-N 2.96Å; T655-A658 PolarHBondContact O-N 3.3Å; A658-F661 PolarHBondContact O-N 3.46Å; A658-S662 WeakPolarHBondContact O-CB 3.27Å; A658-S662 PolarHBondContact O-N 3.27Å
659	N	91.9	Very high	94	Very high	115 Å²	115	65 Å²	65	62%	0.615	34%	0.335	S	S	*	.	H	α-helix	trans	-66.6	-35.5	173.8	-74	-63.2	0	0	0	113.3	T655 F657 R663	T655-N659 PolarHBondContact O-N 3.3Å; T655-N659 PolarHBondContact O-ND2 3.29Å; F657-N659 VanDerWaalsContact C-N 3.26Å; F657-N659 PolarHBondContact O-N 2.98Å; N659-R663 WeakPolarHBondContact O-CG 3.47Å
660	S	93.7	Very high	94	Very high	23 Å²	23	60 Å²	60	16%	0.161	32%	0.319	C	S	.	.	H	α-helix	trans	-70.1	-48.5	173.5	-179.1	0	0	0	0	111.3	L554 F657 S662 R663 N664	L554-S660 WeakPolarHBondContact CD1-OG 3.43Å; F657-S660 CarbonylContact O-C 3.56Å; F657-S660 WeakPolarHBondContact O-CA 3.38Å; F657-S660 WeakPolarHBondContact O-CB 3.2Å; F657-S660 PolarHBondContact O-N 2.84Å; S660-S662 VanDerWaalsContact C-N 3.33Å; S660-S662 PolarHBondContact O-N 2.89Å; S660-R663 PolarHBondContact O-N 3.39Å; S660-R663 VanDerWaalsContact O-N 3.15Å; S660-N664 WeakPolarHBondContact O-CB 3.19Å; S660-N664 PolarHBondContact O-N 3.08Å
661	F	95.3	Very high	93.8	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-56.3	-46	177.5	-173.6	-104.3	0	0	0	111.5	A551 F552 L588 W619 L647 L651 F657 A658 R663 N664 L665	A551-F661 HydrophobicContact CB-CD2 4Å; A551-F661 HydrophobicContact CB-CE2 4.18Å; F552-F661 HydrophobicContact CD1-CE2 4.4Å; F552-F661 HydrophobicContact CE1-CD2 4.24Å; F552-F661 AromaticContact CE1-CE2 3.61Å; F552-F661 HydrophobicContact CE1-CE2 3.61Å; F552-F661 AromaticContact CZ-CE2 3.78Å; F552-F661 HydrophobicContact CZ-CE2 3.78Å; L588-F661 HydrophobicContact CD2-CZ 4.4Å; W619-F661 HydrophobicContact CD2-CD1 4.34Å; W619-F661 HydrophobicContact CD2-CE1 4.23Å; W619-F661 HydrophobicContact CE3-CD1 4.42Å; W619-F661 AromaticContact CE3-CE1 3.87Å; W619-F661 HydrophobicContact CE3-CE1 3.87Å; W619-F661 AromaticContact CH2-CE1 3.9Å; W619-F661 HydrophobicContact CH2-CE1 3.9Å; W619-F661 HydrophobicContact CZ2-CD1 4.38Å; W619-F661 HydrophobicContact CZ2-CE1 4.21Å; W619-F661 AromaticContact CZ3-CE1 3.71Å; W619-F661 HydrophobicContact CZ3-CE1 3.71Å; W619-F661 HydrophobicContact CZ3-CZ 4.48Å; L647-F661 HydrophobicContact CD1-CE1 4.08Å; L647-F661 HydrophobicContact CD1-CZ 3.95Å; L647-F661 HydrophobicContact CD2-CE1 4.09Å; L647-F661 HydrophobicContact CD2-CZ 4.16Å; L651-F661 HydrophobicContact CD1-CD1 3.97Å; L651-F661 HydrophobicContact CD1-CE1 4.01Å; L651-F661 HydrophobicContact CD2-CB 4.14Å; L651-F661 HydrophobicContact CD2-CD1 3.62Å; L651-F661 HydrophobicContact CD2-CE1 4.16Å; L651-F661 HydrophobicContact CD2-CG 3.95Å; L651-F661 HydrophobicContact CG-CD1 4.46Å; F657-F661 HydrophobicContact CD1-CB 4.36Å; F657-F661 HydrophobicContact CE1-CB 3.94Å; F657-F661 AromaticContact CE1-CD2 3.85Å; F657-F661 HydrophobicContact CE1-CD2 3.85Å; F657-F661 HydrophobicContact CE1-CG 4.08Å; F657-F661 HydrophobicContact CE2-CB 4.43Å; F657-F661 HydrophobicContact CZ-CB 3.99Å; F657-F661 AromaticContact CZ-CD2 3.64Å; F657-F661 HydrophobicContact CZ-CD2 3.64Å; F657-F661 HydrophobicContact CZ-CG 4.17Å; F657-F661 WeakPolarHBondContact O-CB 3.46Å; F657-F661 PolarHBondContact O-N 3.49Å; A658-F661 PolarHBondContact O-N 3.46Å; F661-R663 PolarHBondContact O-N 3.41Å; F661-N664 PolarHBondContact O-N 3.07Å; F661-L665 HydrophobicContact CD2-CD2 4.5Å; F661-L665 HydrophobicContact CE1-CD2 3.77Å; F661-L665 HydrophobicContact CE2-CB 4.47Å; F661-L665 HydrophobicContact CE2-CD2 3.68Å; F661-L665 HydrophobicContact CZ-CD2 3.27Å; F661-L665 VanDerWaalsContact O-CB 3.28Å; F661-L665 WeakPolarHBondContact O-CB 3.33Å; F661-L665 PolarHBondContact O-N 3.11Å
662	S	93.1	Very high	93.7	Very high	29 Å²	29	62 Å²	62	20%	0.203	33%	0.325	C	S	.	.	H	α-helix	trans	-64.9	-19	179.3	-174.8	0	0	0	0	115.4	W619 K620 A658 S660	W619-S662 VanDerWaalsContact CD1-OG 3.25Å; W619-S662 VanDerWaalsContact NE1-CA 3.3Å; W619-S662 VanDerWaalsContact NE1-CB 3.29Å; W619-S662 PolarHBondContact NE1-OG 3.14Å; K620-S662 WeakPolarHBondContact CE-OG 3.44Å; K620-S662 PolarHBondContact NZ-O 2.99Å; A658-S662 WeakPolarHBondContact O-CB 3.27Å; A658-S662 PolarHBondContact O-N 3.27Å; S660-S662 VanDerWaalsContact C-N 3.33Å; S660-S662 PolarHBondContact O-N 2.89Å
663	R	91.9	Very high	93.4	Very high	205 Å²	205	63.9 Å²	63.9	77%	0.774	33%	0.328	S	S	*	.	H	α-helix	trans	-96	-38.3	175.2	-72.3	174.3	59.3	177.9	-1.7	112.9	N659 S660 F661	N659-R663 WeakPolarHBondContact O-CG 3.47Å; S660-R663 PolarHBondContact O-N 3.39Å; S660-R663 VanDerWaalsContact O-N 3.15Å; F661-R663 PolarHBondContact O-N 3.41Å
664	N	93.3	Very high	93.2	Very high	54 Å²	54	63.8 Å²	63.8	29%	0.289	32%	0.323	S	S	.	.	H	α-helix	trans	-94.3	-21.2	-171	-65	2.4	0	0	0	113.4	S660 F661 I666	S660-N664 WeakPolarHBondContact O-CB 3.19Å; S660-N664 PolarHBondContact O-N 3.08Å; F661-N664 PolarHBondContact O-N 3.07Å; N664-I666 PolarHBondContact O-N 3.13Å
665	L	94.3	Very high	93	Very high	14 Å²	14	64.6 Å²	64.6	7%	0.073	33%	0.333	C	S	.	.			trans	-89.6	104.7	174.3	-173	56.7	0	0	0	110.8	A551 L588 F590 V613 W619 F661	A551-L665 HydrophobicContact CB-CB 3.81Å; A551-L665 HydrophobicContact CB-CD1 4.15Å; A551-L665 HydrophobicContact CB-CG 4.45Å; L588-L665 HydrophobicContact CD2-CD2 3.97Å; F590-L665 HydrophobicContact CE1-CD1 4.1Å; F590-L665 HydrophobicContact CZ-CD2 4.21Å; V613-L665 HydrophobicContact CB-CD1 4.37Å; V613-L665 HydrophobicContact CG1-CD1 4.24Å; V613-L665 HydrophobicContact CG2-CD1 4Å; W619-L665 HydrophobicContact CH2-CB 4.48Å; W619-L665 HydrophobicContact CH2-CD2 3.61Å; W619-L665 HydrophobicContact CH2-CG 4.17Å; W619-L665 HydrophobicContact CZ2-CB 4.4Å; W619-L665 HydrophobicContact CZ2-CD2 4.31Å; W619-L665 HydrophobicContact CZ3-CD2 4.31Å; F661-L665 HydrophobicContact CD2-CD2 4.5Å; F661-L665 HydrophobicContact CE1-CD2 3.77Å; F661-L665 HydrophobicContact CE2-CB 4.47Å; F661-L665 HydrophobicContact CE2-CD2 3.68Å; F661-L665 HydrophobicContact CZ-CD2 3.27Å; F661-L665 VanDerWaalsContact O-CB 3.28Å; F661-L665 WeakPolarHBondContact O-CB 3.33Å; F661-L665 PolarHBondContact O-N 3.11Å
666	I	92.5	Very high	92.8	Very high	140 Å²	140	68.1 Å²	68.1	72%	0.718	35%	0.347	S	S	*	.			trans	-100.2	133.1	168.5	-57.7	172.7	0	0	0	106.9	N664	N664-I666 PolarHBondContact O-N 3.13Å
667	L	93.8	Very high	92.8	Very high	26 Å²	26	67.5 Å²	67.5	14%	0.136	33%	0.329	C	S	.	.			trans	-84.7	129.7	171.9	-56.8	-177.2	0	0	0	109.2	L588 V613 V617 C669 N670	L588-L667 HydrophobicContact CD1-CD2 3.57Å; V613-L667 HydrophobicContact CB-CD2 4.17Å; V613-L667 HydrophobicContact CG1-CD2 3.71Å; V613-L667 CarbonylContact O-C 3.47Å; V617-L667 HydrophobicContact CG2-CD1 3.64Å; V617-L667 HydrophobicContact CG2-CG 4.27Å; L667-C669 VanDerWaalsContact C-N 3.29Å; L667-N670 HydrophobicContact CD1-CB 4.26Å
668	T	94.8	Very high	92.6	Very high	73 Å²	73	74.9 Å²	74.9	45%	0.448	36%	0.357	S	S	.	.	S	Bend	trans	-63.1	-39.5	170.4	-43.5	0	0	0	0	110.4	L608 D612 V613	L608-T668 HydrophobicContact CD2-CG2 3.73Å; D612-T668 HydrophobicContact CB-CG2 4.32Å; D612-T668 WeakPolarHBondContact CB-OG1 3.45Å; D612-T668 WeakPolarHBondContact OD1-CB 3.45Å; D612-T668 WeakPolarHBondContact OD1-CG2 3.5Å; D612-T668 PolarHBondContact OD1-OG1 2.87Å; V613-T668 PolarHBondContact N-OG1 3.46Å; V613-T668 PolarHBondContact O-N 2.8Å
669	C	93.9	Very high	92.5	Very high	15 Å²	15	76.7 Å²	76.7	10%	0.101	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	120.7	173.4	-173.3	0	0	0	0	111.4	L608 V613 F614 G615 L667	L608-C669 HydrophobicContact CD2-CB 4.09Å; V613-C669 PolarHBondContact O-N 2.9Å; F614-C669 VanDerWaalsContact CA-O 3.3Å; F614-C669 WeakPolarHBondContact CA-O 3.2Å; F614-C669 HydrophobicContact CB-CB 4.23Å; G615-C669 PolarHBondContact N-O 2.93Å; L667-C669 VanDerWaalsContact C-N 3.29Å
670	N	93.9	Very high	92.4	Very high	28 Å²	28	77.4 Å²	77.4	15%	0.15	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	118.3	170.3	173.2	-79.3	0	0	0	109.4	G615 D616 L667 R672 K673	G615-N670 WeakPolarHBondContact O-CA 3.27Å; D616-N670 PolarHBondContact OD1-ND2 3.29Å; L667-N670 HydrophobicContact CD1-CB 4.26Å; N670-R672 VanDerWaalsContact C-N 3.35Å; N670-R672 PolarHBondContact O-N 3.34Å; N670-R672 WeakPolarHBondContact OD1-CA 3.28Å; N670-R672 WeakPolarHBondContact OD1-CB 3.27Å; N670-R672 PolarHBondContact OD1-N 2.99Å; N670-K673 PolarHBondContact O-N 3.33Å; N670-K673 WeakPolarHBondContact OD1-CG 3.43Å; N670-K673 PolarHBondContact OD1-N 2.92Å
671	L	92.6	Very high	92.1	Very high	2 Å²	2	78.9 Å²	78.9	1%	0.01	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-13	-174.5	-62.8	180	0	0	0	114	F579 V585 V598 F614 G615 C628 V631	F579-L671 HydrophobicContact CB-CD1 4.38Å; F579-L671 HydrophobicContact CD2-CD1 3.5Å; F579-L671 HydrophobicContact CE2-CD1 3.85Å; F579-L671 HydrophobicContact CG-CD1 3.97Å; V585-L671 HydrophobicContact CG1-CD1 4.47Å; V585-L671 HydrophobicContact CG2-CB 3.88Å; V585-L671 HydrophobicContact CG2-CD1 4.33Å; V598-L671 HydrophobicContact CG1-CD2 4.29Å; F614-L671 HydrophobicContact CD2-CD1 4.3Å; G615-L671 PolarHBondContact O-N 3.18Å; C628-L671 WeakPolarHBondContact CB-O 3.46Å; C628-L671 PolarHBondContact N-O 2.9Å; V631-L671 HydrophobicContact CG2-CD1 4.12Å; V631-L671 HydrophobicContact CG2-CD2 3.79Å
672	R	91.6	Very high	91.8	Very high	56 Å²	56	82 Å²	82	21%	0.211	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-31.5	173.2	-177.3	-169.7	-63.1	-100.5	3.7	111.9	D616 E621 T623 A625 C628 N670	D616-R672 WeakPolarHBondContact OD1-CB 3.48Å; D616-R672 IonicContact OD1-NE 3.9Å; D616-R672 PolarHBondContact OD1-NE 3.38Å; D616-R672 IonicContact OD2-CZ 2.6Å; D616-R672 IonicContact OD2-NE 2.68Å; D616-R672 PolarHBondContact OD2-NE 3.46Å; D616-R672 IonicContact OD2-NH2 3.13Å; D616-R672 PolarHBondContact OD2-NH2 2.92Å; E621-R672 IonicContact OE1-NE 3.39Å; E621-R672 WeakPolarHBondContact OE2-CD 3.41Å; E621-R672 IonicContact OE2-CZ 2.8Å; E621-R672 IonicContact OE2-NE 3.92Å; E621-R672 PolarHBondContact OE2-NE 3.46Å; E621-R672 IonicContact OE2-NH2 2.73Å; T623-R672 PolarHBondContact O-NH2 3.39Å; T623-R672 PolarHBondContact OG1-NH1 3.17Å; A625-R672 HydrophobicContact CB-CB 3.69Å; A625-R672 HydrophobicContact CB-CG 3.81Å; C628-R672 PolarHBondContact SG-O 3.27Å; N670-R672 VanDerWaalsContact C-N 3.35Å; N670-R672 PolarHBondContact O-N 3.34Å; N670-R672 WeakPolarHBondContact OD1-CA 3.28Å; N670-R672 WeakPolarHBondContact OD1-CB 3.27Å; N670-R672 PolarHBondContact OD1-N 2.99Å
673	K	90	Very high	91.7	Very high	145 Å²	145	82.8 Å²	82.8	63%	0.63	40%	0.397	S	S	*	.	S	Bend	trans	-86.4	119.6	-175.2	-70.4	178.1	-177.4	-175.9	0	111.1	N670	N670-K673 PolarHBondContact O-N 3.33Å; N670-K673 WeakPolarHBondContact OD1-CG 3.43Å; N670-K673 PolarHBondContact OD1-N 2.92Å
674	R	90.5	Very high	91.5	Very high	150 Å²	150	79.5 Å²	79.5	57%	0.566	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-76.7	130.6	168.5	-172.5	171.8	-170.1	151.4	5	110	D601 C628	D601-R674 IonicContact OD1-CZ 3.24Å; D601-R674 IonicContact OD1-NH2 3.48Å; D601-R674 PolarHBondContact OD1-NH2 3.3Å; D601-R674 IonicContact OD2-CZ 3.36Å; D601-R674 IonicContact OD2-NE 3.26Å; D601-R674 IonicContact OD2-NH2 2.72Å; D601-R674 PolarHBondContact OD2-NH2 3.23Å; C628-R674 HydrophobicContact CB-CB 4.19Å
675	V	91	Very high	91.2	Very high	71 Å²	71	83.9 Å²	83.9	43%	0.43	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-80	132.2	170.7	-172.6	0	0	0	0	107.9	Q600 I605 F677	Q600-V675 VanDerWaalsContact OE1-CB 3.32Å; Q600-V675 PolarHBondContact OE1-O 2.95Å; I605-V675 HydrophobicContact CD1-CG2 3.89Å; V675-F677 HydrophobicContact CB-CD1 4.3Å; V675-F677 HydrophobicContact CG1-CD1 4.18Å
676	I	90.3	Very high	90.8	Very high	165 Å²	165	86.8 Å²	86.8	85%	0.846	41%	0.414	S	S	*	.			trans	-99.7	107.9	178.5	-58.5	176.4	0	0	0	108.2
677	F	91.4	Very high	90.2	Very high	72 Å²	72	85.4 Å²	85.4	32%	0.316	40%	0.404	S	S	.	.			trans	-133.9	169.8	176.9	62.8	-88.6	0	0	0	111.2	Q600 D601 E603 I605 V675 K679	Q600-F677 HydrophobicContact CG-CE1 4.22Å; Q600-F677 WeakPolarHBondContact O-CZ 3.32Å; D601-F677 HydrophobicContact CB-CZ 4.1Å; E603-F677 HydrophobicContact CB-CE2 4.08Å; E603-F677 HydrophobicContact CB-CZ 4.07Å; E603-F677 HydrophobicContact CG-CE2 3.69Å; E603-F677 HydrophobicContact CG-CZ 4.12Å; I605-F677 HydrophobicContact CG2-CE1 4.03Å; V675-F677 HydrophobicContact CB-CD1 4.3Å; V675-F677 HydrophobicContact CG1-CD1 4.18Å; F677-K679 HydrophobicContact CE2-CG 4.35Å
678	R	90.1	Very high	89.5	Confident	169 Å²	169	90.5 Å²	90.5	64%	0.638	43%	0.427	S	S	*	.			trans	-125.6	136.4	167.6	-68.6	-169.8	-178.5	-160.5	1.6	108.7	V683 E686	R678-V683 HydrophobicContact CB-CG2 3.78Å; R678-E686 IonicContact CZ-OE2 2.72Å; R678-E686 IonicContact NH1-OE1 2.66Å; R678-E686 PolarHBondContact NH1-OE1 3.36Å; R678-E686 IonicContact NH1-OE2 2.75Å; R678-E686 PolarHBondContact NH1-OE2 3.26Å
679	K	91.9	Very high	88.4	Confident	59 Å²	59	95.3 Å²	95.3	26%	0.257	44%	0.437	S	S	.	.			trans	-68.2	137.2	175.2	-56.7	-169.9	179.2	-142.2	0	109.8	D601 E603 F677 A681 D682 V683	D601-K679 WeakPolarHBondContact O-CE 3.49Å; D601-K679 PolarHBondContact O-NZ 2.9Å; E603-K679 HydrophobicContact CG-CD 4.26Å; E603-K679 HydrophobicContact CG-CG 4.29Å; E603-K679 VanDerWaalsContact OE1-CD 3.25Å; E603-K679 WeakPolarHBondContact OE1-CD 3.31Å; E603-K679 WeakPolarHBondContact OE1-CE 3.36Å; E603-K679 IonicContact OE1-NZ 3.15Å; E603-K679 PolarHBondContact OE1-NZ 3.34Å; F677-K679 HydrophobicContact CE2-CG 4.35Å; K679-A681 PolarHBondContact O-N 2.82Å; K679-D682 PolarHBondContact O-N 3.36Å; K679-V683 PolarHBondContact O-N 3.11Å; K679-V683 VanDerWaalsContact O-N 3.15Å
680	I	90.6	Very high	87	Confident	129 Å²	129	100.7 Å²	100.7	66%	0.662	46%	0.461	S	S	*	.	H	α-helix	trans	-59.9	-33.3	-177.8	-61.9	172.8	0	0	0	111.3	D682 K684	I680-D682 VanDerWaalsContact C-N 3.31Å; I680-D682 PolarHBondContact O-N 3.46Å; I680-K684 HydrophobicContact CG2-CD 4.32Å; I680-K684 WeakPolarHBondContact O-CB 3.41Å; I680-K684 WeakPolarHBondContact O-CG 3.35Å; I680-K684 PolarHBondContact O-N 3.01Å
681	A	87.7	Confident	85.7	Confident	55 Å²	55	110.3 Å²	110.3	46%	0.455	50%	0.495	S	S	.	.	H	α-helix	trans	-63.3	-33.9	174.6	0	0	0	0	0	113.1	K679 R685	K679-A681 PolarHBondContact O-N 2.82Å; A681-R685 WeakPolarHBondContact O-CG 3.35Å; A681-R685 PolarHBondContact O-N 3.48Å; A681-R685 PolarHBondContact O-NE 3.26Å
682	D	88.4	Confident	84.1	Confident	66 Å²	66	114.7 Å²	114.7	35%	0.353	53%	0.526	S	S	.	.	H	α-helix	trans	-78.6	-40.6	179.7	-62.5	-31.2	0	0	0	111.3	K679 I680 K684 R685 E686	K679-D682 PolarHBondContact O-N 3.36Å; I680-D682 VanDerWaalsContact C-N 3.31Å; I680-D682 PolarHBondContact O-N 3.46Å; D682-K684 VanDerWaalsContact C-N 3.28Å; D682-K684 PolarHBondContact O-N 3.44Å; D682-R685 PolarHBondContact O-N 3.4Å; D682-R685 IonicContact OD1-CZ 2.68Å; D682-R685 IonicContact OD1-NE 2.86Å; D682-R685 PolarHBondContact OD1-NE 2.77Å; D682-R685 IonicContact OD1-NH2 2.74Å; D682-R685 PolarHBondContact OD1-NH2 2.84Å; D682-E686 WeakPolarHBondContact O-CB 3.41Å; D682-E686 PolarHBondContact O-N 3.34Å
683	V	89.9	Confident	82.1	Confident	45 Å²	45	118.7 Å²	118.7	27%	0.273	55%	0.547	S	S	.	.	H	α-helix	trans	-60.4	-39.2	172.2	179.5	0	0	0	0	111.1	R678 K679 E686 Q687	R678-V683 HydrophobicContact CB-CG2 3.78Å; K679-V683 PolarHBondContact O-N 3.11Å; K679-V683 VanDerWaalsContact O-N 3.15Å; V683-E686 PolarHBondContact O-N 3.34Å; V683-Q687 WeakPolarHBondContact O-CB 3.37Å; V683-Q687 VanDerWaalsContact O-CG 3.32Å; V683-Q687 WeakPolarHBondContact O-CG 3.46Å; V683-Q687 PolarHBondContact O-N 3.31Å
684	K	88.1	Confident	80.5	Confident	135 Å²	135	118 Å²	118	59%	0.587	56%	0.555	S	S	*	*	H	α-helix	trans	-64.6	-45	173.5	-76.2	178.1	177.9	-177.5	0	112.2	I680 D682 E686 Q687 E688	I680-K684 HydrophobicContact CG2-CD 4.32Å; I680-K684 WeakPolarHBondContact O-CB 3.41Å; I680-K684 WeakPolarHBondContact O-CG 3.35Å; I680-K684 PolarHBondContact O-N 3.01Å; D682-K684 VanDerWaalsContact C-N 3.28Å; D682-K684 PolarHBondContact O-N 3.44Å; K684-E686 VanDerWaalsContact C-N 3.31Å; K684-E686 PolarHBondContact O-N 3.45Å; K684-Q687 PolarHBondContact O-N 3.02Å; K684-E688 WeakPolarHBondContact O-CB 3.31Å; K684-E688 PolarHBondContact O-N 2.96Å
685	R	87.7	Confident	78.5	Confident	147 Å²	147	115.7 Å²	115.7	56%	0.555	57%	0.568	S	S	*	*	H	α-helix	trans	-64.6	-33	175.9	-73.9	-174.1	-74.8	-159.1	1.1	112.8	A681 D682 R689	A681-R685 WeakPolarHBondContact O-CG 3.35Å; A681-R685 PolarHBondContact O-N 3.48Å; A681-R685 PolarHBondContact O-NE 3.26Å; D682-R685 PolarHBondContact O-N 3.4Å; D682-R685 IonicContact OD1-CZ 2.68Å; D682-R685 IonicContact OD1-NE 2.86Å; D682-R685 PolarHBondContact OD1-NE 2.77Å; D682-R685 IonicContact OD1-NH2 2.74Å; D682-R685 PolarHBondContact OD1-NH2 2.84Å; R685-R689 WeakPolarHBondContact O-CB 3.46Å; R685-R689 WeakPolarHBondContact O-CG 3.31Å; R685-R689 PolarHBondContact O-N 3.3Å
686	E	85	Confident	76.9	Confident	75 Å²	75	119.9 Å²	119.9	35%	0.35	59%	0.587	S	S	.	*	H	α-helix	trans	-67.8	-45.7	173.4	-170.8	176.9	-167.7	0	0	111.1	R678 D682 V683 K684 R689 Q690	R678-E686 IonicContact CZ-OE2 2.72Å; R678-E686 IonicContact NH1-OE1 2.66Å; R678-E686 PolarHBondContact NH1-OE1 3.36Å; R678-E686 IonicContact NH1-OE2 2.75Å; R678-E686 PolarHBondContact NH1-OE2 3.26Å; D682-E686 WeakPolarHBondContact O-CB 3.41Å; D682-E686 PolarHBondContact O-N 3.34Å; V683-E686 PolarHBondContact O-N 3.34Å; K684-E686 VanDerWaalsContact C-N 3.31Å; K684-E686 PolarHBondContact O-N 3.45Å; E686-R689 PolarHBondContact O-N 2.74Å; E686-Q690 WeakPolarHBondContact O-CB 3.21Å; E686-Q690 WeakPolarHBondContact O-CG 3.29Å; E686-Q690 PolarHBondContact O-N 2.88Å
687	Q	81.5	Confident	75.1	Confident	111 Å²	111	117.6 Å²	117.6	52%	0.519	59%	0.586	S	S	.	*	H	α-helix	trans	-65	-37.3	174.9	-73.2	175.1	-4.2	0	0	113.1	V683 K684 Q690 R691	V683-Q687 WeakPolarHBondContact O-CB 3.37Å; V683-Q687 VanDerWaalsContact O-CG 3.32Å; V683-Q687 WeakPolarHBondContact O-CG 3.46Å; V683-Q687 PolarHBondContact O-N 3.31Å; K684-Q687 PolarHBondContact O-N 3.02Å; Q687-Q690 PolarHBondContact O-N 2.81Å; Q687-R691 WeakPolarHBondContact O-CG 3.27Å; Q687-R691 PolarHBondContact O-N 3.44Å
688	E	79.1	Confident	73.6	Confident	132 Å²	132	119.5 Å²	119.5	62%	0.617	60%	0.598	S	S	*	*	H	α-helix	trans	-69.7	-37.1	177	-171.3	166.3	-135.5	0	0	111.8	K684 R691 S692	K684-E688 WeakPolarHBondContact O-CB 3.31Å; K684-E688 PolarHBondContact O-N 2.96Å; E688-R691 PolarHBondContact O-N 2.92Å; E688-S692 PolarHBondContact O-N 3.36Å; E688-S692 PolarHBondContact O-OG 2.87Å
689	R	70	Confident	72.2	Confident	175 Å²	175	116 Å²	116	66%	0.66	60%	0.597	S	S	*	*	H	α-helix	trans	-65.3	-44.4	168.5	-76.8	179.1	176.7	-171.7	-1.5	112.4	R685 E686 R691 S692 E693	R685-R689 WeakPolarHBondContact O-CB 3.46Å; R685-R689 WeakPolarHBondContact O-CG 3.31Å; R685-R689 PolarHBondContact O-N 3.3Å; E686-R689 PolarHBondContact O-N 2.74Å; R689-R691 PolarHBondContact O-N 3.45Å; R689-S692 CarbonylContact O-C 3.58Å; R689-S692 WeakPolarHBondContact O-CA 3.29Å; R689-S692 WeakPolarHBondContact O-CB 3.48Å; R689-S692 PolarHBondContact O-N 2.88Å; R689-E693 WeakPolarHBondContact O-CG 3.49Å; R689-E693 PolarHBondContact O-N 3.22Å
690	Q	65.9	Low	70.6	Confident	128 Å²	128	119.9 Å²	119.9	60%	0.598	62%	0.616	S	S	*	*	H	α-helix	trans	-63.3	-22.9	176.1	-73.8	173.7	5.2	0	0	113.5	E686 Q687 S692	E686-Q690 WeakPolarHBondContact O-CB 3.21Å; E686-Q690 WeakPolarHBondContact O-CG 3.29Å; E686-Q690 PolarHBondContact O-N 2.88Å; Q687-Q690 PolarHBondContact O-N 2.81Å; Q690-S692 VanDerWaalsContact C-N 3.35Å
691	R	66.4	Low	69.1	Low	229 Å²	229	119.6 Å²	119.6	86%	0.864	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-13.3	168.5	-75.1	177.7	173	-170.4	-2.2	114.3	Q687 E688 R689	Q687-R691 WeakPolarHBondContact O-CG 3.27Å; Q687-R691 PolarHBondContact O-N 3.44Å; E688-R691 PolarHBondContact O-N 2.92Å; R689-R691 PolarHBondContact O-N 3.45Å
692	S	58.6	Low	68.2	Low	95 Å²	95	120.8 Å²	120.8	66%	0.664	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.8	-17.5	-174.4	-53.1	0	0	0	0	113.6	E688 R689 Q690	E688-S692 PolarHBondContact O-N 3.36Å; E688-S692 PolarHBondContact O-OG 2.87Å; R689-S692 CarbonylContact O-C 3.58Å; R689-S692 WeakPolarHBondContact O-CA 3.29Å; R689-S692 WeakPolarHBondContact O-CB 3.48Å; R689-S692 PolarHBondContact O-N 2.88Å; Q690-S692 VanDerWaalsContact C-N 3.35Å
693	E	50.4	Low	67.6	Low	140 Å²	140	122.1 Å²	122.1	65%	0.654	62%	0.624	S	S	*	*			trans	-83.6	113.2	-177.8	-78.7	177.9	173.1	0	0	112.2	R689	R689-E693 WeakPolarHBondContact O-CG 3.49Å; R689-E693 PolarHBondContact O-N 3.22Å
694	V	55.8	Low	66.7	Low	131 Å²	131	123.1 Å²	123.1	79%	0.794	63%	0.63	S	S	*	*			trans	-74.6	128.3	162.1	178.9	0	0	0	0	108.4	L696	V694-L696 PolarHBondContact O-N 3.49Å
695	A	49.3	Very low	65.8	Low	100 Å²	100	122 Å²	122	83%	0.826	62%	0.622	S	S	*	*			trans	-65.2	105.7	-173.1	0	0	0	0	0	113
696	L	57.6	Low	64.9	Low	159 Å²	159	119.7 Å²	119.7	83%	0.832	62%	0.616	S	S	*	*			trans	-90.6	117.2	171.9	-73.5	169.3	0	0	0	110.8	V694 I698	V694-L696 PolarHBondContact O-N 3.49Å; L696-I698 PolarHBondContact O-N 3.21Å
697	S	51.4	Low	64.4	Low	118 Å²	118	120.5 Å²	120.5	83%	0.825	62%	0.622	S	S	*	*			trans	-73.6	108.2	177.8	55.9	0	0	0	0	111.7
698	I	59.5	Low	64	Low	112 Å²	112	122.1 Å²	122.1	57%	0.574	63%	0.628	S	S	*	*			trans	-74.3	128	179.2	-57.7	174.2	0	0	0	110.3	L696 H702	L696-I698 PolarHBondContact O-N 3.21Å; I698-H702 HydrophobicContact CG2-CB 3.58Å
699	P	62	Low	63.5	Low	95 Å²	95	121.3 Å²	121.3	62%	0.617	62%	0.624	S	S	*	*			trans	-59.3	150.8	178.3	-26.3	35.5	0	0	0	114.7	D701 H702	P699-D701 VanDerWaalsContact C-N 3.32Å; P699-D701 PolarHBondContact O-N 3.38Å; P699-H702 WeakPolarHBondContact O-CB 3.26Å; P699-H702 PolarHBondContact O-N 2.89Å
700	E	58	Low	63.7	Low	141 Å²	141	121.6 Å²	121.6	66%	0.659	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.4	-38.6	-172.4	-65.3	-96.9	110	0	0	114	H702 R705	E700-H702 VanDerWaalsContact C-N 3.29Å; E700-H702 PolarHBondContact O-N 3.36Å; E700-R705 IonicContact OE1-CZ 2.88Å; E700-R705 IonicContact OE1-NH1 2.76Å; E700-R705 PolarHBondContact OE1-NH1 3.37Å; E700-R705 IonicContact OE1-NH2 2.82Å; E700-R705 PolarHBondContact OE1-NH2 2.97Å; E700-R705 IonicContact OE2-NH2 3.38Å
701	D	58.2	Low	63.8	Low	122 Å²	122	121.6 Å²	121.6	65%	0.652	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-4.4	-174	-108.7	-50.7	0	0	0	115.3	P699 K706	P699-D701 VanDerWaalsContact C-N 3.32Å; P699-D701 PolarHBondContact O-N 3.38Å; D701-K706 PolarHBondContact O-NZ 3.25Å; D701-K706 IonicContact OD1-NZ 3.48Å; D701-K706 PolarHBondContact OD1-NZ 2.91Å
702	H	69.3	Low	63.9	Low	80 Å²	80	119.4 Å²	119.4	37%	0.37	62%	0.615	S	S	.	*			trans	-57.5	131.1	-170.5	-165	-109.3	0	0	0	112.1	I698 P699 E700 V704 R705	I698-H702 HydrophobicContact CG2-CB 3.58Å; P699-H702 WeakPolarHBondContact O-CB 3.26Å; P699-H702 PolarHBondContact O-N 2.89Å; E700-H702 VanDerWaalsContact C-N 3.29Å; E700-H702 PolarHBondContact O-N 3.36Å; H702-V704 PolarHBondContact O-N 3.49Å; H702-R705 WeakPolarHBondContact O-CB 3.31Å; H702-R705 PolarHBondContact O-N 2.84Å
703	P	76.8	Confident	64.1	Low	94 Å²	94	121.2 Å²	121.2	61%	0.61	61%	0.613	S	S	*	*	H	α-helix	trans	-60.4	-27.1	-170.1	21.8	-33.9	0	0	0	113.7	R705 K706 L707	P703-R705 VanDerWaalsContact C-N 3.29Å; P703-R705 PolarHBondContact O-N 3.5Å; P703-K706 PolarHBondContact O-N 3.46Å; P703-L707 PolarHBondContact O-N 2.95Å
704	V	69.8	Low	64.3	Low	66 Å²	66	120.4 Å²	120.4	40%	0.4	61%	0.61	S	S	.	*	H	α-helix	trans	-61.1	-35.4	173.7	178.1	0	0	0	0	111.9	H702 L707 F708	H702-V704 PolarHBondContact O-N 3.49Å; V704-L707 WeakPolarHBondContact O-CB 3.27Å; V704-L707 PolarHBondContact O-N 3.44Å; V704-F708 HydrophobicContact CG1-CD2 3.77Å; V704-F708 HydrophobicContact CG1-CE2 3.73Å; V704-F708 WeakPolarHBondContact O-CD2 3.14Å; V704-F708 PolarHBondContact O-N 3.3Å
705	R	69.7	Low	63.8	Low	111 Å²	111	123.5 Å²	123.5	42%	0.419	61%	0.607	S	S	.	*	H	α-helix	trans	-70.5	-36.9	178.3	-168.3	165	172	-179.5	-15.7	111.8	E700 H702 P703 F708 Q709	E700-R705 IonicContact OE1-CZ 2.88Å; E700-R705 IonicContact OE1-NH1 2.76Å; E700-R705 PolarHBondContact OE1-NH1 3.37Å; E700-R705 IonicContact OE1-NH2 2.82Å; E700-R705 PolarHBondContact OE1-NH2 2.97Å; E700-R705 IonicContact OE2-NH2 3.38Å; H702-R705 WeakPolarHBondContact O-CB 3.31Å; H702-R705 PolarHBondContact O-N 2.84Å; P703-R705 VanDerWaalsContact C-N 3.29Å; P703-R705 PolarHBondContact O-N 3.5Å; R705-F708 PolarHBondContact O-N 3.24Å; R705-Q709 WeakPolarHBondContact O-CG 3.38Å; R705-Q709 PolarHBondContact O-N 3.35Å
706	K	69.4	Low	63.7	Low	100 Å²	100	123.6 Å²	123.6	44%	0.435	59%	0.594	S	S	.	*	H	α-helix	trans	-67.5	-33.4	170.6	-71.2	166.3	-177.4	154.8	0	112.1	D701 P703 Q709 R710	D701-K706 PolarHBondContact O-NZ 3.25Å; D701-K706 IonicContact OD1-NZ 3.48Å; D701-K706 PolarHBondContact OD1-NZ 2.91Å; P703-K706 PolarHBondContact O-N 3.46Å; K706-Q709 PolarHBondContact O-N 2.97Å; K706-R710 PolarHBondContact O-N 3.1Å; K706-R710 VanDerWaalsContact O-N 3.07Å
707	L	74.7	Confident	63.2	Low	91 Å²	91	120.7 Å²	120.7	48%	0.476	59%	0.586	S	S	.	*	H	α-helix	trans	-68.1	-44.3	172.3	-173.6	64.7	0	0	0	112	P703 V704 Q709 R710 F711	P703-L707 PolarHBondContact O-N 2.95Å; V704-L707 WeakPolarHBondContact O-CB 3.27Å; V704-L707 PolarHBondContact O-N 3.44Å; L707-Q709 VanDerWaalsContact C-N 3.34Å; L707-Q709 PolarHBondContact O-N 3.46Å; L707-R710 PolarHBondContact O-N 3.39Å; L707-F711 HydrophobicContact CD1-CD2 4.22Å; L707-F711 HydrophobicContact CD1-CE2 3.83Å; L707-F711 HydrophobicContact CD2-CE2 4.24Å; L707-F711 HydrophobicContact CG-CD2 3.98Å; L707-F711 HydrophobicContact CG-CE2 3.79Å; L707-F711 WeakPolarHBondContact O-CD2 3.46Å; L707-F711 PolarHBondContact O-N 3Å
708	F	72.1	Confident	62.8	Low	146 Å²	146	122.8 Å²	122.8	64%	0.64	58%	0.583	S	S	*	*	H	α-helix	trans	-61.5	-39.1	172.5	-89	-71.6	0	0	0	112.5	V704 R705 F711 R712	V704-F708 HydrophobicContact CG1-CD2 3.77Å; V704-F708 HydrophobicContact CG1-CE2 3.73Å; V704-F708 WeakPolarHBondContact O-CD2 3.14Å; V704-F708 PolarHBondContact O-N 3.3Å; R705-F708 PolarHBondContact O-N 3.24Å; F708-F711 PolarHBondContact O-N 3.16Å; F708-R712 VanDerWaalsContact O-CB 3.3Å; F708-R712 WeakPolarHBondContact O-CB 3.17Å; F708-R712 PolarHBondContact O-N 3.48Å
709	Q	69.4	Low	61.8	Low	114 Å²	114	121.3 Å²	121.3	53%	0.533	59%	0.588	S	S	.	*	H	α-helix	trans	-61	-42.4	172.7	-80.4	177.6	-36.8	0	0	112.1	R705 K706 L707 R712 Q713	R705-Q709 WeakPolarHBondContact O-CG 3.38Å; R705-Q709 PolarHBondContact O-N 3.35Å; K706-Q709 PolarHBondContact O-N 2.97Å; L707-Q709 VanDerWaalsContact C-N 3.34Å; L707-Q709 PolarHBondContact O-N 3.46Å; Q709-R712 PolarHBondContact O-N 3.01Å; Q709-Q713 WeakPolarHBondContact O-CB 3.3Å; Q709-Q713 WeakPolarHBondContact O-CG 3.48Å; Q709-Q713 PolarHBondContact O-N 2.64Å
710	R	72.6	Confident	60.5	Low	181 Å²	181	122.5 Å²	122.5	68%	0.683	60%	0.595	S	S	*	*	H	α-helix	trans	-62.1	-49	174.7	-75.9	-179.2	175.2	-177.6	-1.5	112.3	K706 L707 R712 Q713 Q714	K706-R710 PolarHBondContact O-N 3.1Å; K706-R710 VanDerWaalsContact O-N 3.07Å; L707-R710 PolarHBondContact O-N 3.39Å; R710-R712 VanDerWaalsContact C-N 3.25Å; R710-R712 PolarHBondContact O-N 2.91Å; R710-Q713 PolarHBondContact O-N 2.92Å; R710-Q714 VanDerWaalsContact O-CB 3.27Å; R710-Q714 WeakPolarHBondContact O-CB 3.3Å; R710-Q714 PolarHBondContact O-N 3.14Å
711	F	68.7	Low	59.2	Low	129 Å²	129	119.3 Å²	119.3	57%	0.566	60%	0.6	S	S	*	*	H	α-helix	trans	-61.4	-33.6	176.5	-81.2	-61.8	0	0	0	112.8	L707 F708 R715	L707-F711 HydrophobicContact CD1-CD2 4.22Å; L707-F711 HydrophobicContact CD1-CE2 3.83Å; L707-F711 HydrophobicContact CD2-CE2 4.24Å; L707-F711 HydrophobicContact CG-CD2 3.98Å; L707-F711 HydrophobicContact CG-CE2 3.79Å; L707-F711 WeakPolarHBondContact O-CD2 3.46Å; L707-F711 PolarHBondContact O-N 3Å; F708-F711 PolarHBondContact O-N 3.16Å; F711-R715 WeakPolarHBondContact O-CB 3.44Å; F711-R715 PolarHBondContact O-N 2.96Å
712	R	69.1	Low	57.8	Low	183 Å²	183	122.5 Å²	122.5	69%	0.691	61%	0.611	S	S	*	*	H	α-helix	trans	-69.5	-50.2	175.4	-169	168.7	-175.1	167	2.3	111.6	F708 Q709 R710 Q714 R715 D716	F708-R712 VanDerWaalsContact O-CB 3.3Å; F708-R712 WeakPolarHBondContact O-CB 3.17Å; F708-R712 PolarHBondContact O-N 3.48Å; Q709-R712 PolarHBondContact O-N 3.01Å; R710-R712 VanDerWaalsContact C-N 3.25Å; R710-R712 PolarHBondContact O-N 2.91Å; R712-Q714 VanDerWaalsContact C-N 3.26Å; R712-Q714 PolarHBondContact O-N 2.94Å; R712-R715 WeakPolarHBondContact O-CB 3.41Å; R712-R715 PolarHBondContact O-N 2.91Å; R712-D716 WeakPolarHBondContact CG-OD2 3.28Å; R712-D716 WeakPolarHBondContact O-CB 3.47Å; R712-D716 PolarHBondContact O-N 3.15Å
713	Q	63.1	Low	55.9	Low	133 Å²	133	124.9 Å²	124.9	62%	0.621	63%	0.632	S	S	*	*	H	α-helix	trans	-57.7	-37.5	174.2	-73.9	174.4	-25.9	0	0	112.8	Q709 R710 R715 S717	Q709-Q713 WeakPolarHBondContact O-CB 3.3Å; Q709-Q713 WeakPolarHBondContact O-CG 3.48Å; Q709-Q713 PolarHBondContact O-N 2.64Å; R710-Q713 PolarHBondContact O-N 2.92Å; Q713-R715 VanDerWaalsContact C-N 3.35Å; Q713-S717 WeakPolarHBondContact O-CB 3.49Å; Q713-S717 PolarHBondContact O-N 3.13Å; Q713-S717 PolarHBondContact O-OG 2.96Å
714	Q	53.1	Low	53.5	Low	123 Å²	123	129.4 Å²	129.4	58%	0.575	64%	0.644	S	S	*	*	H	α-helix	trans	-73	-25.7	178	-165.4	170.8	14	0	0	113.1	R710 R712 S717	R710-Q714 VanDerWaalsContact O-CB 3.27Å; R710-Q714 WeakPolarHBondContact O-CB 3.3Å; R710-Q714 PolarHBondContact O-N 3.14Å; R712-Q714 VanDerWaalsContact C-N 3.26Å; R712-Q714 PolarHBondContact O-N 2.94Å; Q714-S717 PolarHBondContact O-OG 3.13Å
715	R	46.7	Very low	51.9	Low	196 Å²	196	131.5 Å²	131.5	74%	0.74	66%	0.659	S	S	*	*	H	α-helix	trans	-79.8	-44.1	171.3	177.2	177.4	172.2	170.7	-1.9	111.9	F711 R712 Q713 S717 Q718	F711-R715 WeakPolarHBondContact O-CB 3.44Å; F711-R715 PolarHBondContact O-N 2.96Å; R712-R715 WeakPolarHBondContact O-CB 3.41Å; R712-R715 PolarHBondContact O-N 2.91Å; Q713-R715 VanDerWaalsContact C-N 3.35Å; R715-S717 VanDerWaalsContact C-N 3.29Å; R715-S717 PolarHBondContact O-N 2.72Å; R715-Q718 PolarHBondContact O-N 3.49Å; R715-Q718 VanDerWaalsContact O-N 3.09Å
716	D	45.6	Very low	49.7	Very low	102 Å²	102	136.6 Å²	136.6	55%	0.545	69%	0.685	S	S	.	*	H	α-helix	trans	-69.6	-27.6	-176.9	-61.8	-21.9	0	0	0	111.7	R712 Q718	R712-D716 WeakPolarHBondContact CG-OD2 3.28Å; R712-D716 WeakPolarHBondContact O-CB 3.47Å; R712-D716 PolarHBondContact O-N 3.15Å; D716-Q718 VanDerWaalsContact C-N 3.29Å; D716-Q718 PolarHBondContact O-N 2.53Å
717	S	47.8	Very low	47.6	Very low	97 Å²	97	136.6 Å²	136.6	68%	0.678	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-3.2	171.5	52.4	0	0	0	0	114.9	Q713 Q714 R715	Q713-S717 WeakPolarHBondContact O-CB 3.49Å; Q713-S717 PolarHBondContact O-N 3.13Å; Q713-S717 PolarHBondContact O-OG 2.96Å; Q714-S717 PolarHBondContact O-OG 3.13Å; R715-S717 VanDerWaalsContact C-N 3.29Å; R715-S717 PolarHBondContact O-N 2.72Å
718	Q	43.2	Very low	45.3	Very low	162 Å²	162	140 Å²	140	76%	0.757	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.8	12.9	-177.9	-155.6	166.9	19.2	0	0	113.3	R715 D716	R715-Q718 PolarHBondContact O-N 3.49Å; R715-Q718 VanDerWaalsContact O-N 3.09Å; D716-Q718 VanDerWaalsContact C-N 3.29Å; D716-Q718 PolarHBondContact O-N 2.53Å
719	A	37.9	Very low	43.2	Very low	82 Å²	82	140.9 Å²	140.9	68%	0.678	72%	0.723	S	S	*	*			trans	-134.4	85.5	-176.6	0	0	0	0	0	114.8
720	P	35.6	Very low	41.1	Very low	119 Å²	119	141.9 Å²	141.9	77%	0.773	73%	0.731	S	S	*	*			trans	-111	123.7	160.3	34.6	-23.8	0	0	0	112.2
721	G	31.2	Very low	38.9	Very low	74 Å²	74	139.7 Å²	139.7	76%	0.763	74%	0.742	S	S	*	*			trans	72.8	100.8	160.5	0	0	0	0	0	117.7
722	E	28.2	Very low	36.9	Very low	189 Å²	189	140.7 Å²	140.7	88%	0.883	75%	0.752	S	S	*	*				173.9	146	86.6	-90.2	-171.9	176.2	0	0	110.2
723	T	28.3	Very low	34.8	Very low	130 Å²	130	139 Å²	139	80%	0.798	75%	0.752	S	S	*	*			trans	-149	100.9	178.8	-52.6	0	0	0	0	110.2
724	H	27.4	Very low	33	Very low	189 Å²	189	141.7 Å²	141.7	88%	0.875	77%	0.767	S	S	*	*			trans	-133	129.5	165	-87.2	-74.1	0	0	0	109.8
725	P	36.4	Very low	31.6	Very low	110 Å²	110	141.1 Å²	141.1	71%	0.714	76%	0.764	S	S	*	*			trans	-90.3	143.8	-175.1	34.8	-33.7	0	0	0	111.9
726	F	23.5	Very low	30.6	Very low	218 Å²	218	138.1 Å²	138.1	96%	0.956	77%	0.77	S	S	*	*			trans	-140.8	145.8	153.9	-114.5	-83.1	0	0	0	110.6
727	S	25.9	Very low	29.6	Very low	101 Å²	101	139.5 Å²	139.5	71%	0.706	77%	0.773	S	S	*	*			trans	-69.9	132.4	-164.9	-160.3	0	0	0	0	113.4
728	D	26.2	Very low	28.6	Very low	163 Å²	163	143.9 Å²	143.9	87%	0.872	78%	0.783	S	S	*	*			trans	-70.7	140.1	150.2	-87.1	-44.4	0	0	0	109.1
729	Q	28.1	Very low	27.7	Very low	164 Å²	164	143.8 Å²	143.8	77%	0.766	78%	0.782	S	S	*	*			trans	-149.1	151.7	171.2	-170.2	164.6	1.7	0	0	109.3
730	N	25.7	Very low	27.1	Very low	134 Å²	134	150.1 Å²	150.1	72%	0.717	79%	0.788	S	S	*	*			trans	74.6	67.6	-177.1	-54	-25.7	0	0	0	116.1
731	C	25.1	Very low	26.7	Very low	135 Å²	135	151.2 Å²	151.2	91%	0.912	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-74.2	119.7	140.1	-172.7	0	0	0	0	107.5
732	I	27.4	Very low	26.4	Very low	151 Å²	151	152.6 Å²	152.6	77%	0.774	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-90.8	125.9	177.4	-68.4	-177.6	0	0	0	110.3
733	Q	23.8	Very low	26.2	Very low	146 Å²	146	150.1 Å²	150.1	68%	0.682	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-66	135.8	-178.8	173.6	178.9	-10	0	0	113.3	E735	Q733-E735 HydrophobicContact CG-CG 4.46Å; Q733-E735 PolarHBondContact NE2-OE2 3.3Å
734	M	25.6	Very low	26.1	Very low	190 Å²	190	148 Å²	148	94%	0.936	76%	0.76	S	S	*	*			trans	-132.7	106.8	151.4	-84.3	-166	167.4	0	0	109.3
735	E	24.4	Very low	26.2	Very low	112 Å²	112	146 Å²	146	52%	0.523	76%	0.755	S	S	.	*			trans	-73.8	155.6	165.5	-77.3	163.3	89.6	0	0	111	Q733 Q737	Q733-E735 HydrophobicContact CG-CG 4.46Å; Q733-E735 PolarHBondContact NE2-OE2 3.3Å; E735-Q737 HydrophobicContact CB-CG 4.26Å; E735-Q737 WeakPolarHBondContact OE1-CG 3.27Å; E735-Q737 PolarHBondContact OE1-NE2 3.44Å
736	P	26	Very low	25.8	Very low	132 Å²	132	144.9 Å²	144.9	86%	0.857	75%	0.751	S	S	*	*			trans	-109.4	115.2	132.5	-6.7	25.7	0	0	0	109.5
737	Q	24	Very low	25.9	Very low	131 Å²	131	139.7 Å²	139.7	61%	0.612	74%	0.74	S	S	*	*			trans	-79.5	130.2	175.6	-73.1	-172.9	-4	0	0	111.9	E735	E735-Q737 HydrophobicContact CB-CG 4.26Å; E735-Q737 WeakPolarHBondContact OE1-CG 3.27Å; E735-Q737 PolarHBondContact OE1-NE2 3.44Å
738	H	26.6	Very low	26.1	Very low	190 Å²	190	144 Å²	144	88%	0.88	75%	0.746	S	S	*	*			trans	-143	143	144.2	-101.8	-22.7	0	0	0	111.3
739	H	24.5	Very low	26.2	Very low	160 Å²	160	141.2 Å²	141.2	74%	0.741	75%	0.746	S	S	*	*			trans	-77.7	158.8	-167.2	-45.3	-63.8	0	0	0	113.5
740	R	24.4	Very low	26.1	Very low	214 Å²	214	136.3 Å²	136.3	81%	0.808	74%	0.74	S	S	*	*				-176.7	146.2	104.2	-101.3	176.9	162.9	165.4	-0.4	114.5
741	H	27.4	Very low	26.2	Very low	143 Å²	143	136.2 Å²	136.2	66%	0.662	75%	0.749	S	S	*	*			trans	49.4	118	153.5	-65.2	-63.3	0	0	0	119.3
742	T	24.7	Very low	26.3	Very low	103 Å²	103	133.7 Å²	133.7	63%	0.632	75%	0.746	S	S	*	*				57.1	129.3	76.6	76.6	0	0	0	0	112.1
743	D	25.9	Very low	26.4	Very low	136 Å²	136	129.9 Å²	129.9	73%	0.727	74%	0.744	S	S	*	*			cis	-158.6	155.6	46.9	-90.5	-69.1	0	0	0	117.2
744	S	26.1	Very low	26.7	Very low	86 Å²	86	134.4 Å²	134.4	60%	0.601	76%	0.755	S	S	*	*			trans	33.1	151.5	143.5	81.1	0	0	0	0	126
745	N	28.3	Very low	26.8	Very low	146 Å²	146	136.4 Å²	136.4	78%	0.781	75%	0.752	S	S	*	*			trans	78	152.4	147.4	-65.8	-27.8	0	0	0	121.1
746	S	27.4	Very low	26.9	Very low	88 Å²	88	134.1 Å²	134.1	62%	0.615	76%	0.759	S	S	*	*			cis	-176.2	144.7	-29.6	59.6	0	0	0	0	112.3
747	C	26.9	Very low	27	Very low	109 Å²	109	133.5 Å²	133.5	74%	0.736	76%	0.757	S	S	*	*			trans	64.9	162.9	153.7	-71.9	0	0	0	0	118.3
748	K	29.4	Very low	27.2	Very low	190 Å²	190	132 Å²	132	83%	0.826	77%	0.767	S	S	*	*			cis	-163.2	168.4	-10.3	-118.6	168.8	-175.8	173.7	0	111.8
749	A	27.4	Very low	27.1	Very low	105 Å²	105	130.3 Å²	130.3	87%	0.868	77%	0.771	S	S	*	*			trans	71.5	152.2	157.4	0	0	0	0	0	119.4
750	G	27.1	Very low	27.3	Very low	62 Å²	62	127.8 Å²	127.8	64%	0.639	77%	0.771	S	S	*	*			cis	166.9	145.3	-12.8	0	0	0	0	0	115.9
751	S	28.1	Very low	28.1	Very low	132 Å²	132	122.9 Å²	122.9	92%	0.923	77%	0.767	S	S	*	*			trans	64.6	148.6	177.3	70.1	0	0	0	0	117.4
752	G	27.4	Very low	28	Very low	82 Å²	82	123.9 Å²	123.9	85%	0.845	77%	0.771	S	S	*	*			cis	126.8	138	-6.2	0	0	0	0	0	113.2
753	G	28.1	Very low	28.2	Very low	71 Å²	71	125.8 Å²	125.8	73%	0.732	77%	0.773	S	S	*	*			cis	168.3	-175.6	-1.1	0	0	0	0	0	111.7
754	R	30	Very low	28.1	Very low	241 Å²	241	127.5 Å²	127.5	91%	0.909	78%	0.777	S	S	*	*			trans	71.8	163.7	-178.1	-68.4	179.3	171.6	-179.6	-1.7	115.5
755	R	27.8	Very low	28.1	Very low	232 Å²	232	128.1 Å²	128.1	88%	0.875	78%	0.78	S	S	*	*			cis	167.8	141.6	-22.5	-175	-170.5	-152.4	-163	7.6	105.5
756	G	27.2	Very low	28	Very low	64 Å²	64	128 Å²	128	66%	0.66	78%	0.779	S	S	*	*			cis	172.5	179	-6	0	0	0	0	0	111.5
757	S	27.8	Very low	27.9	Very low	119 Å²	119	130.5 Å²	130.5	83%	0.832	79%	0.786	S	S	*	*			trans	55.8	108.5	158.1	60.4	0	0	0	0	123.3
758	A	27.6	Very low	27.8	Very low	99 Å²	99	130.4 Å²	130.4	82%	0.818	79%	0.786	S	S	*	*				66.5	120.8	119.5	0	0	0	0	0	123.8
759	T	26.1	Very low	27.7	Very low	155 Å²	155	125.1 Å²	125.1	95%	0.951	79%	0.786	S	S	*	*			trans	-155.1	154.5	131.4	17.5	0	0	0	0	111.4
760	S	27.8	Very low	27.6	Very low	107 Å²	107	130.2 Å²	130.2	75%	0.748	79%	0.788	S	S	*	*			trans	-136.4	158.8	167.1	59.3	0	0	0	0	107.9
761	P	40.6	Very low	27.4	Very low	110 Å²	110	132.1 Å²	132.1	71%	0.714	80%	0.798	S	S	*	*				-154.6	179.2	86.8	41.6	-21.9	0	0	0	116.1
762	H	26.5	Very low	27.3	Very low	164 Å²	164	133.9 Å²	133.9	76%	0.759	79%	0.792	S	S	*	*			trans	21.1	152.8	136.7	-70	-104.2	0	0	0	121.6
763	Q	28.3	Very low	27.2	Very low	143 Å²	143	137.6 Å²	137.6	67%	0.668	79%	0.787	S	S	*	*			cis	-179.7	155.6	-5.2	160	177.7	-25.8	0	0	109.7
764	E	25.2	Very low	27	Very low	172 Å²	172	141.6 Å²	141.6	80%	0.804	79%	0.791	S	S	*	*			trans	163	123	139.4	-91.9	-177.5	175.2	0	0	110.1
765	C	25.1	Very low	26.8	Very low	99 Å²	99	135.1 Å²	135.1	67%	0.669	78%	0.782	S	S	*	*				72.1	136.3	88.3	-71.9	0	0	0	0	112.9
766	N	25.5	Very low	26.7	Very low	144 Å²	144	129.2 Å²	129.2	77%	0.77	77%	0.771	S	S	*	*			cis	-158.1	178.5	19.8	-103.7	-2.1	0	0	0	108.8
767	D	25.7	Very low	26.6	Very low	140 Å²	140	134.7 Å²	134.7	75%	0.749	78%	0.78	S	S	*	*			cis	-164.7	-163.9	-23.3	-171.8	-0.9	0	0	0	106.6
768	S	26.2	Very low	26.6	Very low	108 Å²	108	134.8 Å²	134.8	76%	0.755	78%	0.775	S	S	*	*			trans	-101.7	170.5	-159.8	55.1	0	0	0	0	115.9
769	G	25.3	Very low	26.5	Very low	79 Å²	79	135.4 Å²	135.4	81%	0.814	77%	0.769	S	S	*	*			trans	-175.8	141.8	171.6	0	0	0	0	0	114.6
770	K	25.5	Very low	26.5	Very low	212 Å²	212	135.6 Å²	135.6	92%	0.922	76%	0.761	S	S	*	*			trans	-122.8	155.9	174	-56.4	178.3	-175.3	177.6	0	110.1
771	A	24.6	Very low	26.5	Very low	102 Å²	102	137.4 Å²	137.4	84%	0.843	76%	0.758	S	S	*	*			trans	179	170.7	140.4	0	0	0	0	0	112.1
772	E	25	Very low	25.7	Very low	168 Å²	168	139.3 Å²	139.3	79%	0.785	76%	0.761	S	S	*	*			trans	-128.7	179.4	-177.9	-53.9	172.2	75.3	0	0	112.5
773	Q	25.8	Very low	25.5	Very low	161 Å²	161	142.3 Å²	142.3	75%	0.752	77%	0.766	S	S	*	*			trans	82.2	105.6	148.8	-73.2	173.5	15.7	0	0	123.1
774	L	24.3	Very low	26	Very low	154 Å²	154	140.9 Å²	140.9	81%	0.806	77%	0.768	S	S	*	*				81.5	127.8	108.6	-142.8	84.3	0	0	0	123.3
775	C	24.6	Very low	25.9	Very low	106 Å²	106	138.1 Å²	138.1	72%	0.716	77%	0.768	S	S	*	*			trans	69.2	155.2	145.6	-105.3	0	0	0	0	120
776	T	25.6	Very low	26	Very low	108 Å²	108	141.7 Å²	141.7	66%	0.663	78%	0.775	S	S	*	*			cis	-155.2	151.3	-2.6	-26.6	0	0	0	0	109
777	Q	26.6	Very low	25.9	Very low	178 Å²	178	146.3 Å²	146.3	83%	0.832	78%	0.782	S	S	*	*				167.9	130.4	98.4	-99.6	165	-4.7	0	0	107.1
778	V	25.8	Very low	25.8	Very low	121 Å²	121	144.5 Å²	144.5	73%	0.733	78%	0.78	S	S	*	*				62	120.8	76.4	-172.1	0	0	0	0	111.9
779	T	26	Very low	25.8	Very low	112 Å²	112	147.5 Å²	147.5	69%	0.687	79%	0.787	S	S	*	*				-170.3	134.6	72.5	-38.9	0	0	0	0	113.4
780	M	27.4	Very low	25.8	Very low	159 Å²	159	152.9 Å²	152.9	78%	0.783	79%	0.788	S	S	*	*			trans	45	154.8	145.3	-63.9	178.5	147.1	0	0	123.2
781	E	26.4	Very low	26.2	Very low	146 Å²	146	148.8 Å²	148.8	68%	0.682	78%	0.783	S	S	*	*			cis	-158.9	162.6	-2.5	-126.2	-174.8	167.7	0	0	115.5
782	L	25.5	Very low	26.2	Very low	150 Å²	150	148 Å²	148	79%	0.785	78%	0.776	S	S	*	*			trans	66.2	157.9	145.7	-80.3	167.2	0	0	0	125.8
783	R	22.3	Very low	26.4	Very low	227 Å²	227	148.7 Å²	148.7	86%	0.857	78%	0.78	S	S	*	*			trans	-134.1	-169.9	-176.9	-126.2	-178.2	-173.1	-177.9	3.4	105.6
784	P	37.1	Very low	26.4	Very low	112 Å²	112	147 Å²	147	73%	0.727	79%	0.785	S	S	*	*			cis	-138.1	-162.3	-8.1	37.4	-15	0	0	0	114.4
785	S	23.5	Very low	26.4	Very low	115 Å²	115	143.5 Å²	143.5	80%	0.804	79%	0.787	S	S	*	*			trans	125.2	167.2	130.5	-149.6	0	0	0	0	118.8
786	Q	26.7	Very low	26.5	Very low	174 Å²	174	142.3 Å²	142.3	81%	0.813	79%	0.793	S	S	*	*			trans	-120.8	153.7	-164.2	-51.8	164.2	-46.4	0	0	113.4
787	R	23.7	Very low	26.5	Very low	240 Å²	240	144.5 Å²	144.5	91%	0.906	81%	0.806	S	S	*	*			trans	160.1	134	139.2	-88.7	163.6	177.9	-170.8	-1.3	108
788	S	23.7	Very low	26.5	Very low	103 Å²	103	139.9 Å²	139.9	72%	0.72	81%	0.806	S	S	*	*				70.8	102.4	54	-179.3	0	0	0	0	114.5
789	L	25.7	Very low	26.4	Very low	171 Å²	171	141 Å²	141	90%	0.895	81%	0.813	S	S	*	*			trans	-176.7	162.6	133.9	-101	159.8	0	0	0	112.4
790	K	27.1	Very low	26.3	Very low	192 Å²	192	139.8 Å²	139.8	84%	0.835	82%	0.823	S	S	*	*			trans	-85.5	176.3	167.9	-63.6	-178.4	177.9	179.1	0	110.2
791	P	32.1	Very low	26.2	Very low	126 Å²	126	136.2 Å²	136.2	82%	0.818	83%	0.827	S	S	*	*				-141.8	174.4	99.1	42	-30.8	0	0	0	114.8
792	A	26	Very low	26.1	Very low	85 Å²	85	134.2 Å²	134.2	70%	0.702	84%	0.835	S	S	*	*			trans	-90.6	-169.2	155.3	0	0	0	0	0	108.1
793	Q	27.9	Very low	26.1	Very low	183 Å²	183	132.3 Å²	132.3	86%	0.855	83%	0.834	S	S	*	*			cis	-167.5	167.9	15	-157.1	176.6	29.4	0	0	107.7
794	S	26.2	Very low	26.2	Very low	125 Å²	125	126.3 Å²	126.3	87%	0.874	83%	0.828	S	S	*	*			trans	142.5	163	153	59.9	0	0	0	0	111.9
795	G	25.8	Very low	25.7	Very low	81 Å²	81	132.9 Å²	132.9	84%	0.835	84%	0.838	S	S	*	*			trans	-123.5	-179.3	-172	0	0	0	0	0	114
796	G	25.7	Very low	25.9	Very low	81 Å²	81	131.1 Å²	131.1	84%	0.835	84%	0.838	S	S	*	*			trans	-175.7	124.2	175.8	0	0	0	0	0	111.9
797	T	24.9	Very low	26	Very low	154 Å²	154	126.3 Å²	126.3	95%	0.945	84%	0.835	S	S	*	*			trans	-86.7	139.2	176.3	46.4	0	0	0	0	111.3
798	G	26.2	Very low	26.3	Very low	81 Å²	81	126.4 Å²	126.4	84%	0.835	84%	0.835	S	S	*	*			trans	-154.2	115.4	177.2	0	0	0	0	0	113.1
799	T	24.9	Very low	26.5	Very low	144 Å²	144	124.8 Å²	124.8	88%	0.883	84%	0.835	S	S	*	*			trans	-81.1	135.7	-173.3	48.5	0	0	0	0	114.7
800	G	24.1	Very low	26.5	Very low	86 Å²	86	127.6 Å²	127.6	89%	0.887	83%	0.834	S	S	*	*			trans	66.3	156.2	131.3	0	0	0	0	0	121
801	G	24.6	Very low	26.8	Very low	85 Å²	85	122.6 Å²	122.6	88%	0.876	83%	0.828	S	S	*	*			trans	142.9	114.1	169.5	0	0	0	0	0	113.1
802	A	24.7	Very low	26.5	Very low	103 Å²	103	128.5 Å²	128.5	85%	0.851	83%	0.834	S	S	*	*			trans	-111.3	131.3	-174.6	0	0	0	0	0	113.5
803	S	25.7	Very low	26.5	Very low	110 Å²	110	131.9 Å²	131.9	77%	0.769	83%	0.833	S	S	*	*			trans	-166.2	134.7	146.3	46.3	0	0	0	0	107.5
804	S	24.7	Very low	26.6	Very low	102 Å²	102	131.5 Å²	131.5	71%	0.713	83%	0.829	S	S	*	*			cis	82.8	132.8	22.7	99.5	0	0	0	0	115.2
805	R	26.6	Very low	26.6	Very low	249 Å²	249	130.6 Å²	130.6	94%	0.94	82%	0.822	S	S	*	*			trans	71.9	126.2	-173.5	-45.6	173.8	99.8	173.6	6.9	114.7
806	G	26.5	Very low	26.6	Very low	78 Å²	78	130.9 Å²	130.9	80%	0.804	82%	0.817	S	S	*	*			cis	139.4	147.3	-21.6	0	0	0	0	0	116.2
807	G	28.6	Very low	26.5	Very low	73 Å²	73	133.3 Å²	133.3	75%	0.753	82%	0.815	S	S	*	*			trans	118.2	154.2	169.4	0	0	0	0	0	114.7
808	R	30.4	Very low	26.5	Very low	243 Å²	243	131.4 Å²	131.4	92%	0.917	81%	0.808	S	S	*	*			cis	-163.7	156.1	-6.7	-141.8	178.8	-69.2	-145	2.9	111.3
809	G	27.5	Very low	26.4	Very low	69 Å²	69	132.5 Å²	132.5	71%	0.711	81%	0.809	S	S	*	*			trans	117.1	105.5	-178.4	0	0	0	0	0	111.5
810	W	26.8	Very low	26.7	Very low	230 Å²	230	134.2 Å²	134.2	87%	0.871	81%	0.807	S	S	*	*			cis	66.9	114.6	30.9	-104.2	7.9	0	0	0	113.1
811	A	32.6	Very low	27.8	Very low	86 Å²	86	136 Å²	136	71%	0.711	80%	0.803	S	S	*	*			cis	97.1	136.1	14.6	0	0	0	0	0	118
812	R	25.7	Very low	27.9	Very low	250 Å²	250	135.5 Å²	135.5	94%	0.943	79%	0.791	S	S	*	*			trans	-152.1	129.8	169	-90.6	-176.1	168.2	-179.7	-4.2	107.9
813	F	26	Very low	28.3	Very low	156 Å²	156	138.5 Å²	138.5	68%	0.684	79%	0.792	S	S	*	*			cis	99.4	123.3	-0.1	-145.7	-4.7	0	0	0	116.4
814	K	29.4	Very low	29.4	Very low	175 Å²	175	139 Å²	139	76%	0.761	79%	0.792	S	S	*	*			trans	68.6	168.3	162.5	-87	168.3	-179.5	-178.7	0	116.1
815	S	27.4	Very low	29.8	Very low	106 Å²	106	138.3 Å²	138.3	74%	0.741	79%	0.793	S	S	*	*			cis	-173.7	169.2	-8.5	40.1	0	0	0	0	109.3
816	A	24.5	Very low	30	Very low	87 Å²	87	132.1 Å²	132.1	72%	0.719	78%	0.782	S	S	*	*			cis	177.6	-173.4	-27.1	0	0	0	0	0	109.1
817	V	24.5	Very low	30.3	Very low	132 Å²	132	135.5 Å²	135.5	80%	0.8	78%	0.777	S	S	*	*			trans	85	112.7	158.9	-179.6	0	0	0	0	120.6
818	S	24.2	Very low	30.4	Very low	114 Å²	114	139.3 Å²	139.3	80%	0.797	78%	0.776	S	S	*	*			trans	32.1	137.4	135.2	-43.8	0	0	0	0	126.1
819	A	24.9	Very low	30.5	Very low	104 Å²	104	134 Å²	134	86%	0.86	76%	0.761	S	S	*	*			trans	-163.4	162.7	131.1	0	0	0	0	0	112.4
820	E	31	Very low	30.6	Very low	180 Å²	180	137.8 Å²	137.8	84%	0.841	76%	0.758	S	S	*	*			trans	-81.6	179.9	177.9	-66.7	174.4	99.2	0	0	113.1
821	P	46.7	Very low	30.6	Very low	123 Å²	123	132.5 Å²	132.5	80%	0.799	75%	0.747	S	S	*	*			cis	-132	-171.2	1	25.8	-0.8	0	0	0	115
822	A	26.5	Very low	30.3	Very low	75 Å²	75	133.4 Å²	133.4	62%	0.62	74%	0.744	S	S	*	*			cis	-174.5	146.8	-44.2	0	0	0	0	0	111.8
823	L	33.2	Very low	30.4	Very low	167 Å²	167	129.7 Å²	129.7	87%	0.874	74%	0.737	S	S	*	*			trans	66.7	148.8	156.8	-66	172.5	0	0	0	122.5
824	P	49.7	Very low	30.3	Very low	120 Å²	120	129.6 Å²	129.6	78%	0.779	74%	0.736	S	S	*	*			cis	-98.6	-156.9	-14	39.4	-30.1	0	0	0	110.9
825	A	32.5	Very low	30.2	Very low	87 Å²	87	125.1 Å²	125.1	72%	0.719	73%	0.732	S	S	*	*			cis	-159.4	-153.3	1.2	0	0	0	0	0	107.5
826	V	32.4	Very low	30.2	Very low	120 Å²	120	126.8 Å²	126.8	73%	0.727	73%	0.728	S	S	*	*				177.8	141.2	-59.3	153	0	0	0	0	105.5
827	E	32.2	Very low	30.2	Very low	148 Å²	148	130.9 Å²	130.9	69%	0.692	73%	0.732	S	S	*	*			cis	-166.4	-176.3	-16.4	-95.5	-179.7	91.5	0	0	105.1
828	Q	31.5	Very low	30.1	Very low	154 Å²	154	129.9 Å²	129.9	72%	0.72	73%	0.729	S	S	*	*			cis	-169.1	169.8	-3.5	-116.6	-178.9	45.8	0	0	104.6
829	E	30.5	Very low	31.2	Very low	130 Å²	130	128.7 Å²	128.7	61%	0.607	72%	0.719	S	S	*	*			cis	-168.3	168.2	-29	-133.4	-153.9	138.9	0	0	109.7
830	K	30.1	Very low	31.3	Very low	150 Å²	150	131.7 Å²	131.7	65%	0.652	72%	0.721	S	S	*	*			trans	65.1	159.9	150.9	-77	-175.6	169.8	76.5	0	121.4
831	D	28.1	Very low	31	Very low	119 Å²	119	127.5 Å²	127.5	64%	0.636	72%	0.717	S	S	*	*			cis	-154.5	169.4	-11.6	-131.6	-48.5	0	0	0	116.1
832	T	25.8	Very low	30.8	Very low	105 Å²	105	126.9 Å²	126.9	64%	0.644	71%	0.713	S	S	*	*			trans	-24	159.4	176.5	34.4	0	0	0	0	130.3
833	Q	27.2	Very low	30.9	Very low	171 Å²	171	132.1 Å²	132.1	80%	0.799	73%	0.725	S	S	*	*			trans	79.5	162.4	145.3	-79.2	173.8	102.5	0	0	121.7
834	K	25	Very low	30.6	Very low	155 Å²	155	128.7 Å²	128.7	67%	0.674	72%	0.72	S	S	*	*			cis	-143.9	-147.2	3.4	-147.7	-145.7	177.3	-161.9	0	115.1	E836	K834-E836 WeakPolarHBondContact CD-OE1 3.45Å; K834-E836 WeakPolarHBondContact CE-OE1 3.42Å; K834-E836 IonicContact NZ-OE1 2.65Å; K834-E836 PolarHBondContact NZ-OE1 3.07Å; K834-E836 IonicContact NZ-OE2 2.66Å; K834-E836 PolarHBondContact NZ-OE2 2.87Å
835	A	27.2	Very low	29.5	Very low	80 Å²	80	128 Å²	128	66%	0.661	72%	0.718	S	S	*	*			trans	-151.9	-165.2	-170.3	0	0	0	0	0	116.9
836	E	27.7	Very low	29.2	Very low	141 Å²	141	133.1 Å²	133.1	66%	0.659	73%	0.727	S	S	*	*			trans	92	144.9	167.9	-60.6	121.6	-107.6	0	0	119.1	K834	K834-E836 WeakPolarHBondContact CD-OE1 3.45Å; K834-E836 WeakPolarHBondContact CE-OE1 3.42Å; K834-E836 IonicContact NZ-OE1 2.65Å; K834-E836 PolarHBondContact NZ-OE1 3.07Å; K834-E836 IonicContact NZ-OE2 2.66Å; K834-E836 PolarHBondContact NZ-OE2 2.87Å
837	E	23.5	Very low	28.7	Very low	173 Å²	173	136.1 Å²	136.1	81%	0.808	73%	0.733	S	S	*	*			cis	-152.7	-142.9	-11.1	-146.1	-127.7	74.6	0	0	114.8
838	C	21.9	Very low	29.4	Very low	111 Å²	111	134 Å²	134	75%	0.75	73%	0.732	S	S	*	*			trans	-138.4	-144.4	-165.8	-145.8	0	0	0	0	113
839	P	47.8	Very low	29.2	Very low	90 Å²	90	131.4 Å²	131.4	58%	0.584	74%	0.737	S	S	*	*			cis	-139.5	-172.3	-24.8	41.7	-21.7	0	0	0	118.4
840	N	26.3	Very low	29.1	Very low	167 Å²	167	129.4 Å²	129.4	89%	0.893	74%	0.743	S	S	*	*			trans	90.6	166.2	150.2	-68.6	-18.3	0	0	0	125.6
841	A	24.5	Very low	28.9	Very low	92 Å²	92	127.6 Å²	127.6	76%	0.76	75%	0.749	S	S	*	*			trans	-150.1	-154.7	-168	0	0	0	0	0	110.8
842	P	44.1	Very low	28.9	Very low	109 Å²	109	131.1 Å²	131.1	71%	0.708	76%	0.759	S	S	*	*			cis	-148.7	-173	2.4	46.9	-25.4	0	0	0	119.9
843	Q	27.8	Very low	29	Very low	186 Å²	186	135.9 Å²	135.9	87%	0.869	77%	0.765	S	S	*	*			trans	71.3	148.1	146.9	-83.2	176.1	-14.6	0	0	126.7
844	A	26.8	Very low	28.9	Very low	95 Å²	95	132.9 Å²	132.9	79%	0.785	75%	0.754	S	S	*	*			trans	80.9	156.4	151.6	0	0	0	0	0	121.5
845	S	26.5	Very low	28.9	Very low	104 Å²	104	130 Å²	130	73%	0.727	76%	0.759	S	S	*	*			cis	-174.3	172.9	-25.1	54.6	0	0	0	0	114.9
846	E	25.6	Very low	28.9	Very low	195 Å²	195	129.8 Å²	129.8	91%	0.911	77%	0.765	S	S	*	*			trans	89.4	167.2	157.9	-57.2	-159.8	141.9	0	0	123.7
847	E	22.2	Very low	28.8	Very low	184 Å²	184	132.2 Å²	132.2	86%	0.86	78%	0.777	S	S	*	*			trans	-152.9	-169.4	-154	-130.1	-171.4	-145.5	0	0	110.2
848	P	47.7	Very low	29	Very low	103 Å²	103	132.4 Å²	132.4	67%	0.669	78%	0.778	S	S	*	*			cis	-137.4	-167.2	-24.9	40.5	-21.1	0	0	0	115.9
849	A	26.8	Very low	29.3	Very low	99 Å²	99	132.8 Å²	132.8	82%	0.818	78%	0.777	S	S	*	*			trans	73.1	157	156	0	0	0	0	0	120.5
850	A	28.4	Very low	28.2	Very low	89 Å²	89	133.5 Å²	133.5	74%	0.736	78%	0.784	S	S	*	*			cis	-165.6	145.2	-28.8	0	0	0	0	0	108.8
851	S	25.2	Very low	28.4	Very low	112 Å²	112	132 Å²	132	78%	0.783	78%	0.78	S	S	*	*				169.4	156.1	80.7	49.6	0	0	0	0	113.4
852	K	29	Very low	28.5	Very low	192 Å²	192	134.3 Å²	134.3	84%	0.835	78%	0.779	S	S	*	*			trans	5.7	140.9	155	-64.1	172.9	-177.6	172.8	0	118.6
853	R	26.8	Very low	27.7	Very low	205 Å²	205	136.8 Å²	136.8	77%	0.774	78%	0.781	S	S	*	*			cis	-168.1	-178.6	15	-124.7	-178.6	140.7	-158.7	-27	108.7
854	D	25.2	Very low	27.7	Very low	108 Å²	108	137.6 Å²	137.6	58%	0.578	78%	0.781	S	S	*	*			cis	-158.4	173.9	9.8	-143.4	-15.4	0	0	0	113.2
855	A	25.3	Very low	27.8	Very low	94 Å²	94	137.9 Å²	137.9	78%	0.777	77%	0.773	S	S	*	*			trans	32.9	112.1	152.5	0	0	0	0	0	122.4
856	G	27.4	Very low	27.9	Very low	76 Å²	76	139.6 Å²	139.6	78%	0.784	78%	0.775	S	S	*	*			trans	161.5	84.8	161.2	0	0	0	0	0	114
857	E	26.6	Very low	28	Very low	193 Å²	193	135.4 Å²	135.4	90%	0.902	77%	0.767	S	S	*	*			trans	-62	131.3	-176.6	-66	158.6	117.2	0	0	111.8
858	E	26.7	Very low	28.5	Very low	177 Å²	177	132.3 Å²	132.3	83%	0.827	76%	0.764	S	S	*	*				66.2	133.1	62	-73.9	-162.4	-157.4	0	0	113.3
859	T	27.9	Very low	27.5	Very low	119 Å²	119	134.8 Å²	134.8	73%	0.73	77%	0.772	S	S	*	*			cis	-146.5	170.1	17	37.3	0	0	0	0	110
860	S	26.1	Very low	28	Very low	105 Å²	105	135.5 Å²	135.5	73%	0.734	77%	0.77	S	S	*	*			cis	-159.9	160.2	-15.7	47	0	0	0	0	109.9
861	V	30.1	Very low	28	Very low	134 Å²	134	134.7 Å²	134.7	81%	0.812	77%	0.771	S	S	*	*			trans	-139.5	180	170.8	180	0	0	0	0	107.4
862	L	26.8	Very low	28.3	Very low	141 Å²	141	137 Å²	137	74%	0.738	77%	0.773	S	S	*	*			trans	84.5	146.6	-176.9	-47.8	179.6	0	0	0	113.4
863	H	27.1	Very low	28.3	Very low	161 Å²	161	134.1 Å²	134.1	75%	0.745	77%	0.772	S	S	*	*			cis	-154.7	153.7	-6.4	-123	-50.8	0	0	0	108.1
864	K	27.3	Very low	28.5	Very low	203 Å²	203	134.2 Å²	134.2	88%	0.883	78%	0.778	S	S	*	*			trans	-157.7	141.4	150.8	-141.6	176.6	-177.6	-176.2	0	112.9
865	T	29.7	Very low	28.8	Very low	101 Å²	101	134.2 Å²	134.2	62%	0.62	79%	0.786	S	S	*	*			trans	-121.6	174.5	170.4	53.7	0	0	0	0	110.6
866	D	27.6	Very low	29.2	Very low	141 Å²	141	137.3 Å²	137.3	75%	0.754	79%	0.789	S	S	*	*			trans	71.2	99.5	160.6	-50.7	-43.3	0	0	0	119.5
867	S	28.1	Very low	29.3	Very low	106 Å²	106	141.8 Å²	141.8	74%	0.741	80%	0.795	S	S	*	*				57.9	114.6	115	-162.1	0	0	0	0	120.1
868	C	32.7	Very low	29.5	Very low	119 Å²	119	144.4 Å²	144.4	80%	0.804	80%	0.796	S	S	*	*				-174.8	116.8	103.6	-90.6	0	0	0	0	112.3
869	D	27.9	Very low	29.8	Very low	156 Å²	156	143.6 Å²	143.6	83%	0.834	80%	0.796	S	S	*	*			trans	42.9	158.8	138.9	-150.6	12.7	0	0	0	123.5
870	S	36.3	Very low	29.9	Very low	113 Å²	113	144.8 Å²	144.8	79%	0.79	80%	0.798	S	S	*	*			trans	68.9	127.3	-179.6	-58.1	0	0	0	0	116.6
871	G	28.3	Very low	30.1	Very low	73 Å²	73	151 Å²	151	75%	0.753	81%	0.805	S	S	*	*			cis	165	142.3	-8	0	0	0	0	0	113
872	I	30.9	Very low	30	Very low	161 Å²	161	150 Å²	150	83%	0.826	81%	0.811	S	S	*	*			trans	66.3	95.7	161.2	-59.7	-179.7	0	0	0	118.1
873	T	30.6	Very low	30.1	Very low	130 Å²	130	146.7 Å²	146.7	80%	0.798	81%	0.811	S	S	*	*			trans	41.6	118.3	139.2	68.1	0	0	0	0	121.6
874	K	30.3	Very low	30.1	Very low	208 Å²	208	147 Å²	147	90%	0.904	82%	0.818	S	S	*	*				-150.5	129.9	113.9	-143.1	171	-174.4	178.3	0	111.4
875	S	31.2	Very low	30.1	Very low	108 Å²	108	141.6 Å²	141.6	76%	0.755	81%	0.806	S	S	*	*			trans	-110.1	115.2	-174.8	54.1	0	0	0	0	111.4
876	D	32.9	Very low	30.1	Very low	158 Å²	158	148 Å²	148	85%	0.845	82%	0.819	S	S	*	*			trans	-155.8	76.8	167.4	-100.3	-42.6	0	0	0	110.8
877	L	29.8	Very low	29.9	Very low	171 Å²	171	145.9 Å²	145.9	90%	0.895	82%	0.815	S	S	*	*			trans	-140.2	94.5	164.8	-98.5	172.9	0	0	0	109
878	R	30.8	Very low	29.8	Very low	247 Å²	247	145.6 Å²	145.6	93%	0.932	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-80.5	129.4	176.9	-163.2	174.9	-171.9	124.2	-1.2	109
879	I	33.2	Very low	29.5	Very low	161 Å²	161	148.2 Å²	148.2	83%	0.826	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-70.7	134.8	-170.3	-67.3	170.8	0	0	0	111.5
880	D	30.6	Very low	29.5	Very low	144 Å²	144	146.7 Å²	146.7	77%	0.77	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-91.7	154.9	171	-140.6	-19.5	0	0	0	110.5
881	R	30.4	Very low	29	Very low	235 Å²	235	151.5 Å²	151.5	89%	0.887	80%	0.8	S	S	*	*			trans	68.6	108.6	-178.3	-53.2	177.6	178.4	172.3	-0.8	116.8
882	A	28.6	Very low	28.9	Very low	112 Å²	112	153.3 Å²	153.3	93%	0.926	80%	0.8	S	S	*	*			trans	-118.6	131.4	152.2	0	0	0	0	0	108.7
883	G	27.5	Very low	29.6	Very low	72 Å²	72	151.7 Å²	151.7	74%	0.742	80%	0.801	S	S	*	*			trans	158.9	92.6	177.3	0	0	0	0	0	112.9
884	D	26.5	Very low	29.4	Very low	169 Å²	169	154 Å²	154	90%	0.904	80%	0.804	S	S	*	*				-163.5	165.1	122.1	-110.9	-31.8	0	0	0	113.8
885	S	28	Very low	29.2	Very low	88 Å²	88	153.1 Å²	153.1	62%	0.615	80%	0.803	S	S	*	*			trans	-40.7	149	-173.2	62.5	0	0	0	0	122.2
886	R	29	Very low	29	Very low	237 Å²	237	157.3 Å²	157.3	89%	0.894	81%	0.808	S	S	*	*				54.5	152.7	129.2	-67	175.8	177	175.1	-2.5	120.5
887	S	24.5	Very low	28.7	Very low	95 Å²	95	155.1 Å²	155.1	66%	0.664	81%	0.805	S	S	*	*			cis	-175.4	141.1	-17.5	50.9	0	0	0	0	111.2
888	S	24.8	Very low	29.2	Very low	101 Å²	101	152.3 Å²	152.3	71%	0.706	80%	0.797	S	S	*	*			trans	38.5	127.8	148.8	61.1	0	0	0	0	123.3
889	F	27	Very low	29.1	Very low	174 Å²	174	147.6 Å²	147.6	76%	0.763	79%	0.79	S	S	*	*				-176.9	134.1	121.9	-112.8	-122.5	0	0	0	109.3
890	E	27.6	Very low	28.9	Very low	123 Å²	123	148 Å²	148	58%	0.575	79%	0.787	S	S	*	*				62.4	146	107.2	-69.8	-150	143.9	0	0	118
891	R	27.1	Very low	28.7	Very low	215 Å²	215	145.1 Å²	145.1	81%	0.811	78%	0.779	S	S	*	*			cis	-158.2	176.7	-13.8	-127.1	175.3	169.6	148.8	-12.4	110.4
892	S	24.8	Very low	28.6	Very low	110 Å²	110	143.4 Å²	143.4	77%	0.769	78%	0.778	S	S	*	*			trans	-75	-175.5	-177.2	-35.3	0	0	0	0	114.6
893	P	45.6	Very low	28.8	Very low	128 Å²	128	145.6 Å²	145.6	83%	0.831	77%	0.774	S	S	*	*			cis	-140.8	-158.7	7.1	43	-20.8	0	0	0	116.8
894	M	27.2	Very low	29	Very low	177 Å²	177	150.9 Å²	150.9	87%	0.872	78%	0.779	S	S	*	*			trans	-84.7	159.9	-172	-58.4	147.7	51.4	0	0	116.3
895	E	26	Very low	29.6	Very low	190 Å²	190	148.9 Å²	148.9	89%	0.888	78%	0.775	S	S	*	*			trans	-144.5	-171.7	140.5	-139.4	174.6	-176.2	0	0	113.1
896	K	27.1	Very low	30.2	Very low	197 Å²	197	150.8 Å²	150.8	86%	0.857	78%	0.783	S	S	*	*			trans	-107.2	155.7	-151.4	-64.4	171.6	-176.6	166.4	0	116.3
897	S	26.2	Very low	31	Very low	111 Å²	111	143.3 Å²	143.3	78%	0.776	77%	0.767	S	S	*	*			trans	-83.2	168.9	175.8	58.7	0	0	0	0	114.5
898	P	40.7	Very low	32.1	Very low	113 Å²	113	146.8 Å²	146.8	73%	0.734	77%	0.773	S	S	*	*				-147	148.4	100.2	35.6	-18.9	0	0	0	118.3
899	L	28.4	Very low	33.3	Very low	148 Å²	148	149.4 Å²	149.4	78%	0.775	77%	0.774	S	S	*	*			trans	54	118.4	152	-80.4	94.1	0	0	0	123.9
900	H	29.7	Very low	34.4	Very low	168 Å²	168	143.4 Å²	143.4	78%	0.778	75%	0.753	S	S	*	*			trans	58.3	141.6	131	-78.9	-108.7	0	0	0	122.2
901	S	25.3	Very low	36.2	Very low	84 Å²	84	143.1 Å²	143.1	59%	0.587	76%	0.755	S	S	*	*			cis	-175.9	133.1	-16.9	45.7	0	0	0	0	110.9
902	F	29	Very low	37.8	Very low	200 Å²	200	138.4 Å²	138.4	88%	0.877	75%	0.745	S	S	*	*			trans	-162.7	161.6	148.6	-112.8	-74.2	0	0	0	111.8
903	L	32.5	Very low	39.8	Very low	158 Å²	158	140.3 Å²	140.3	83%	0.827	74%	0.742	S	S	*	*			trans	-43.9	146.7	-168.6	-71	152.5	0	0	0	118.4
904	Q	31.6	Very low	41.1	Very low	182 Å²	182	138.2 Å²	138.2	85%	0.85	73%	0.727	S	S	*	*			trans	-132	156.7	163.4	-89	-171.5	-24.8	0	0	110.8
905	P	40.2	Very low	43.3	Very low	127 Å²	127	133 Å²	133	83%	0.825	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-77.5	155	-174.9	31.7	-36	0	0	0	114
906	V	39.5	Very low	45.5	Very low	129 Å²	129	129.8 Å²	129.8	78%	0.782	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-79.5	140.4	179.1	178.1	0	0	0	0	111.1	S910	V906-S910 WeakPolarHBondContact CG1-OG 3.31Å
907	S	45.5	Very low	48	Very low	79 Å²	79	125.8 Å²	125.8	55%	0.552	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-86.3	141.8	-177.8	57.5	0	0	0	0	113.8	Q909 S910	S907-Q909 PolarHBondContact O-N 2.91Å; S907-Q909 VanDerWaalsContact O-N 3.1Å; S907-S910 PolarHBondContact O-N 3.41Å; S907-S910 VanDerWaalsContact O-N 3.09Å; S907-S910 PolarHBondContact O-OG 3.09Å
908	E	48.1	Very low	50.7	Low	169 Å²	169	126.4 Å²	126.4	79%	0.79	67%	0.668	S	S	*	*	H	α-helix	trans	-58.1	-26.9	-174.3	-59.2	178.9	132.1	0	0	114.1	S910 L911 L912	E908-S910 PolarHBondContact O-N 3.49Å; E908-L911 WeakPolarHBondContact O-CB 3.46Å; E908-L911 PolarHBondContact O-N 3.39Å; E908-L911 VanDerWaalsContact O-N 3.14Å; E908-L912 PolarHBondContact O-N 2.8Å; E908-L912 VanDerWaalsContact O-N 3.1Å
909	Q	50.9	Low	52.5	Low	156 Å²	156	123.6 Å²	123.6	73%	0.729	65%	0.654	S	S	*	*	H	α-helix	trans	-59.4	-31.7	176.8	-74	-175.6	-31.1	0	0	113.3	S907 Q913	S907-Q909 PolarHBondContact O-N 2.91Å; S907-Q909 VanDerWaalsContact O-N 3.1Å; Q909-Q913 PolarHBondContact O-N 3.11Å
910	S	50.5	Low	55.1	Low	48 Å²	48	123.6 Å²	123.6	34%	0.336	65%	0.648	S	S	.	*	H	α-helix	trans	-68.5	-39.7	176.6	63.7	0	0	0	0	111.9	V906 S907 E908 Q913 T914	V906-S910 WeakPolarHBondContact CG1-OG 3.31Å; S907-S910 PolarHBondContact O-N 3.41Å; S907-S910 VanDerWaalsContact O-N 3.09Å; S907-S910 PolarHBondContact O-OG 3.09Å; E908-S910 PolarHBondContact O-N 3.49Å; S910-Q913 PolarHBondContact O-N 3.25Å; S910-T914 PolarHBondContact O-N 3.4Å; S910-T914 PolarHBondContact O-OG1 3.06Å
911	L	64.1	Low	57.7	Low	116 Å²	116	120.4 Å²	120.4	61%	0.607	64%	0.636	S	S	*	*	H	α-helix	trans	-68	-34.6	178.3	-122.7	166.7	0	0	0	112.1	E908 T914 T915	E908-L911 WeakPolarHBondContact O-CB 3.46Å; E908-L911 PolarHBondContact O-N 3.39Å; E908-L911 VanDerWaalsContact O-N 3.14Å; L911-T914 PolarHBondContact O-OG1 3.12Å; L911-T914 VanDerWaalsContact O-OG1 3.08Å; L911-T915 HydrophobicContact CD2-CG2 4.47Å; L911-T915 WeakPolarHBondContact O-CG2 3.38Å; L911-T915 PolarHBondContact O-N 3.3Å; L911-T915 PolarHBondContact O-OG1 2.68Å
912	L	60.4	Low	60.5	Low	117 Å²	117	123.1 Å²	123.1	61%	0.613	64%	0.64	S	S	*	*	H	α-helix	trans	-70	-29.8	171.9	-104.8	167.6	0	0	0	113.1	E908 T915 L916	E908-L912 PolarHBondContact O-N 2.8Å; E908-L912 VanDerWaalsContact O-N 3.1Å; L912-T915 PolarHBondContact O-OG1 3.07Å; L912-L916 WeakPolarHBondContact O-CB 3.4Å; L912-L916 PolarHBondContact O-N 2.76Å
913	Q	67.1	Low	62.9	Low	149 Å²	149	119 Å²	119	70%	0.696	63%	0.627	S	S	*	*	H	α-helix	trans	-78	-38.3	174.8	-76.4	-169.7	-13.2	0	0	113.1	Q909 S910 H917	Q909-Q913 PolarHBondContact O-N 3.11Å; S910-Q913 PolarHBondContact O-N 3.25Å; Q913-H917 WeakPolarHBondContact O-CB 3.46Å; Q913-H917 PolarHBondContact O-N 2.94Å
914	T	72.1	Confident	65.3	Low	85 Å²	85	117.4 Å²	117.4	52%	0.521	61%	0.613	S	S	.	*	H	α-helix	trans	-65.4	-46.7	177.4	51.1	0	0	0	0	111.6	S910 L911 L916 H917 E918	S910-T914 PolarHBondContact O-N 3.4Å; S910-T914 PolarHBondContact O-OG1 3.06Å; L911-T914 PolarHBondContact O-OG1 3.12Å; L911-T914 VanDerWaalsContact O-OG1 3.08Å; T914-L916 PolarHBondContact O-N 3.17Å; T914-H917 WeakPolarHBondContact O-CB 3.47Å; T914-H917 PolarHBondContact O-N 2.73Å; T914-H917 VanDerWaalsContact O-N 3.07Å; T914-E918 WeakPolarHBondContact O-CB 3.39Å; T914-E918 PolarHBondContact O-N 3Å
915	T	74	Confident	67.9	Low	66 Å²	66	110.4 Å²	110.4	41%	0.405	59%	0.589	S	S	.	*	H	α-helix	trans	-61.5	-39.9	177	48.1	0	0	0	0	112.9	L911 L912 H917 E918 A919	L911-T915 HydrophobicContact CD2-CG2 4.47Å; L911-T915 WeakPolarHBondContact O-CG2 3.38Å; L911-T915 PolarHBondContact O-N 3.3Å; L911-T915 PolarHBondContact O-OG1 2.68Å; L912-T915 PolarHBondContact O-OG1 3.07Å; T915-H917 VanDerWaalsContact C-N 3.33Å; T915-H917 PolarHBondContact O-N 2.66Å; T915-E918 PolarHBondContact O-N 2.92Å; T915-A919 PolarHBondContact O-N 3.45Å
916	L	72.8	Confident	70.1	Confident	124 Å²	124	108.8 Å²	108.8	65%	0.649	57%	0.574	S	S	*	*	H	α-helix	trans	-64.3	-35.1	172.1	-106.1	168.6	0	0	0	113.1	L912 T914 K920	L912-L916 WeakPolarHBondContact O-CB 3.4Å; L912-L916 PolarHBondContact O-N 2.76Å; T914-L916 PolarHBondContact O-N 3.17Å; L916-K920 VanDerWaalsContact O-CB 3.28Å; L916-K920 WeakPolarHBondContact O-CB 3.37Å; L916-K920 PolarHBondContact O-N 2.98Å
917	H	78.8	Confident	72.4	Confident	112 Å²	112	107.8 Å²	107.8	52%	0.519	56%	0.563	S	S	.	*	H	α-helix	trans	-72.7	-36.3	177.2	-169.1	-88.8	0	0	0	112.1	Q913 T914 T915 K920 L921	Q913-H917 WeakPolarHBondContact O-CB 3.46Å; Q913-H917 PolarHBondContact O-N 2.94Å; T914-H917 WeakPolarHBondContact O-CB 3.47Å; T914-H917 PolarHBondContact O-N 2.73Å; T914-H917 VanDerWaalsContact O-N 3.07Å; T915-H917 VanDerWaalsContact C-N 3.33Å; T915-H917 PolarHBondContact O-N 2.66Å; H917-K920 PolarHBondContact O-N 3.49Å; H917-L921 WeakPolarHBondContact O-CG 3.44Å; H917-L921 PolarHBondContact O-N 2.86Å; H917-L921 VanDerWaalsContact O-N 3.12Å
918	E	83.4	Confident	74.2	Confident	125 Å²	125	112.4 Å²	112.4	58%	0.584	57%	0.568	S	S	*	*	H	α-helix	trans	-66.5	-52.2	176.5	-171.9	161.1	-142.9	0	0	111.7	T914 T915 K920 L921 E922	T914-E918 WeakPolarHBondContact O-CB 3.39Å; T914-E918 PolarHBondContact O-N 3Å; T915-E918 PolarHBondContact O-N 2.92Å; E918-K920 PolarHBondContact O-N 3.21Å; E918-L921 WeakPolarHBondContact O-CA 3.23Å; E918-L921 WeakPolarHBondContact O-CB 3Å; E918-L921 PolarHBondContact O-N 3.18Å; E918-E922 PolarHBondContact O-N 3.05Å
919	A	77.9	Confident	76	Confident	53 Å²	53	110.3 Å²	110.3	44%	0.438	56%	0.556	S	S	.	*	H	α-helix	trans	-57.1	-34.4	174.4	0	0	0	0	0	112.8	T915 L921 L923	T915-A919 PolarHBondContact O-N 3.45Å; A919-L921 VanDerWaalsContact C-N 3.35Å; A919-L923 WeakPolarHBondContact O-CB 3.43Å; A919-L923 PolarHBondContact O-N 3.45Å
920	K	84	Confident	77.5	Confident	148 Å²	148	108.7 Å²	108.7	64%	0.643	55%	0.552	S	S	*	*	H	α-helix	trans	-69.2	-29.1	174.4	-179	178.4	178.5	-179.5	0	113	L916 H917 E918 K924	L916-K920 VanDerWaalsContact O-CB 3.28Å; L916-K920 WeakPolarHBondContact O-CB 3.37Å; L916-K920 PolarHBondContact O-N 2.98Å; H917-K920 PolarHBondContact O-N 3.49Å; E918-K920 PolarHBondContact O-N 3.21Å; K920-K924 WeakPolarHBondContact O-CB 3.46Å; K920-K924 PolarHBondContact O-N 3.47Å
921	L	83.5	Confident	79	Confident	102 Å²	102	110 Å²	110	53%	0.534	56%	0.561	S	S	.	*	H	α-helix	trans	-76.9	-43.1	173.6	-74.4	170	0	0	0	111.5	H917 E918 A919 K924 G925	H917-L921 WeakPolarHBondContact O-CG 3.44Å; H917-L921 PolarHBondContact O-N 2.86Å; H917-L921 VanDerWaalsContact O-N 3.12Å; E918-L921 WeakPolarHBondContact O-CA 3.23Å; E918-L921 WeakPolarHBondContact O-CB 3Å; E918-L921 PolarHBondContact O-N 3.18Å; A919-L921 VanDerWaalsContact C-N 3.35Å; L921-K924 PolarHBondContact O-N 3.05Å; L921-G925 PolarHBondContact O-N 3.28Å
922	E	85.4	Confident	80.1	Confident	141 Å²	141	107.8 Å²	107.8	66%	0.659	56%	0.556	S	S	*	*	H	α-helix	trans	-58.5	-51.5	175.3	-67.9	-164.1	123.1	0	0	111.7	E918 K924 G925 D926	E918-E922 PolarHBondContact O-N 3.05Å; E922-K924 PolarHBondContact O-N 3.25Å; E922-G925 CarbonylContact O-C 3.57Å; E922-G925 VanDerWaalsContact O-CA 3.31Å; E922-G925 WeakPolarHBondContact O-CA 3.45Å; E922-G925 PolarHBondContact O-N 2.88Å; E922-D926 PolarHBondContact O-N 3.2Å
923	L	77.7	Confident	81.4	Confident	114 Å²	114	110.4 Å²	110.4	60%	0.597	56%	0.558	S	S	*	*	H	α-helix	trans	-57.5	-36.9	178.1	-171.4	69.6	0	0	0	112	A919 G925 D926 I927	A919-L923 WeakPolarHBondContact O-CB 3.43Å; A919-L923 PolarHBondContact O-N 3.45Å; L923-G925 VanDerWaalsContact C-N 3.34Å; L923-D926 PolarHBondContact O-N 3.38Å; L923-I927 HydrophobicContact CG-CD1 4.18Å; L923-I927 WeakPolarHBondContact O-CB 3.46Å; L923-I927 WeakPolarHBondContact O-CD1 3.17Å; L923-I927 VanDerWaalsContact O-CG1 3.23Å; L923-I927 WeakPolarHBondContact O-CG1 3.41Å; L923-I927 PolarHBondContact O-N 2.99Å
924	K	83.8	Confident	82.4	Confident	123 Å²	123	108.9 Å²	108.9	54%	0.535	55%	0.554	S	S	.	*	H	α-helix	trans	-71.9	-27	175.6	-170.9	173.4	-177.6	178.7	0	112.7	K920 L921 E922 R928	K920-K924 WeakPolarHBondContact O-CB 3.46Å; K920-K924 PolarHBondContact O-N 3.47Å; L921-K924 PolarHBondContact O-N 3.05Å; E922-K924 PolarHBondContact O-N 3.25Å; K924-R928 WeakPolarHBondContact O-CD 2.96Å; K924-R928 WeakPolarHBondContact O-CG 3.47Å
925	G	86.9	Confident	83	Confident	35 Å²	35	107.8 Å²	107.8	36%	0.361	55%	0.549	S	S	.	.	H	α-helix	trans	-68.6	-50.1	168.8	0	0	0	0	0	112	L921 E922 L923 I927 R928 K929	L921-G925 PolarHBondContact O-N 3.28Å; E922-G925 CarbonylContact O-C 3.57Å; E922-G925 VanDerWaalsContact O-CA 3.31Å; E922-G925 WeakPolarHBondContact O-CA 3.45Å; E922-G925 PolarHBondContact O-N 2.88Å; L923-G925 VanDerWaalsContact C-N 3.34Å; G925-I927 PolarHBondContact O-N 3.35Å; G925-R928 WeakPolarHBondContact O-CB 3.21Å; G925-R928 PolarHBondContact O-N 2.8Å; G925-R928 VanDerWaalsContact O-N 3.17Å; G925-K929 WeakPolarHBondContact O-CB 3.37Å; G925-K929 PolarHBondContact O-N 3.14Å
926	D	85.6	Confident	83.8	Confident	94 Å²	94	109.5 Å²	109.5	50%	0.503	56%	0.556	S	S	.	*	H	α-helix	trans	-68.3	-34.8	-179.2	-87.4	-21	0	0	0	113.1	E922 L923 R928 K929 L930	E922-D926 PolarHBondContact O-N 3.2Å; L923-D926 PolarHBondContact O-N 3.38Å; D926-R928 VanDerWaalsContact C-N 3.29Å; D926-R928 PolarHBondContact O-N 3.48Å; D926-K929 CarbonylContact O-C 3.58Å; D926-K929 PolarHBondContact O-N 2.85Å; D926-K929 VanDerWaalsContact O-N 3.16Å; D926-K929 WeakPolarHBondContact OD1-CD 3.5Å; D926-K929 IonicContact OD1-NZ 3.48Å; D926-L930 WeakPolarHBondContact O-CB 3.42Å; D926-L930 PolarHBondContact O-N 2.7Å
927	I	86.9	Confident	84.4	Confident	108 Å²	108	108.4 Å²	108.4	55%	0.554	55%	0.55	S	S	*	.	H	α-helix	trans	-58.6	-40.7	170.9	-72.3	164.9	0	0	0	111.4	L923 G925 S931	L923-I927 HydrophobicContact CG-CD1 4.18Å; L923-I927 WeakPolarHBondContact O-CB 3.46Å; L923-I927 WeakPolarHBondContact O-CD1 3.17Å; L923-I927 VanDerWaalsContact O-CG1 3.23Å; L923-I927 WeakPolarHBondContact O-CG1 3.41Å; L923-I927 PolarHBondContact O-N 2.99Å; G925-I927 PolarHBondContact O-N 3.35Å; I927-S931 WeakPolarHBondContact O-CB 3.38Å; I927-S931 PolarHBondContact O-N 2.75Å
928	R	83.3	Confident	84.9	Confident	176 Å²	176	109.3 Å²	109.3	66%	0.664	55%	0.554	S	S	*	*	H	α-helix	trans	-67.1	-40	175.3	-73.6	169.4	164	-178.4	-7.6	112.1	K924 G925 D926 L930 S931 S932	K924-R928 WeakPolarHBondContact O-CD 2.96Å; K924-R928 WeakPolarHBondContact O-CG 3.47Å; G925-R928 WeakPolarHBondContact O-CB 3.21Å; G925-R928 PolarHBondContact O-N 2.8Å; G925-R928 VanDerWaalsContact O-N 3.17Å; D926-R928 VanDerWaalsContact C-N 3.29Å; D926-R928 PolarHBondContact O-N 3.48Å; R928-L930 VanDerWaalsContact C-N 3.35Å; R928-S931 PolarHBondContact O-N 3.28Å; R928-S932 PolarHBondContact O-N 3Å; R928-S932 PolarHBondContact O-OG 3.47Å
929	K	86.3	Confident	85.1	Confident	124 Å²	124	107 Å²	107	54%	0.539	55%	0.552	S	S	.	*	H	α-helix	trans	-70.1	-29.2	178.7	-166.8	-179.5	179.5	-175.9	0	112.8	G925 D926 S932 R933	G925-K929 WeakPolarHBondContact O-CB 3.37Å; G925-K929 PolarHBondContact O-N 3.14Å; D926-K929 CarbonylContact O-C 3.58Å; D926-K929 PolarHBondContact O-N 2.85Å; D926-K929 VanDerWaalsContact O-N 3.16Å; D926-K929 WeakPolarHBondContact OD1-CD 3.5Å; D926-K929 IonicContact OD1-NZ 3.48Å; K929-S932 PolarHBondContact O-OG 3.39Å; K929-R933 WeakPolarHBondContact O-CG 3.47Å; K929-R933 PolarHBondContact O-N 2.8Å
930	L	83.5	Confident	85.6	Confident	123 Å²	123	109.7 Å²	109.7	64%	0.644	56%	0.555	S	S	*	*	H	α-helix	trans	-74.5	-43.4	170.8	-170.4	67.7	0	0	0	110.9	D926 R928 S932 R933 L934	D926-L930 WeakPolarHBondContact O-CB 3.42Å; D926-L930 PolarHBondContact O-N 2.7Å; R928-L930 VanDerWaalsContact C-N 3.35Å; L930-S932 PolarHBondContact O-N 2.77Å; L930-R933 PolarHBondContact O-N 3.42Å; L930-L934 PolarHBondContact O-N 2.73Å
931	S	81.8	Confident	85.8	Confident	75 Å²	75	106.6 Å²	106.6	52%	0.524	55%	0.549	S	S	.	.	H	α-helix	trans	-60.6	-41.3	176.1	177.5	0	0	0	0	113	I927 R928 L934 S935	I927-S931 WeakPolarHBondContact O-CB 3.38Å; I927-S931 PolarHBondContact O-N 2.75Å; R928-S931 PolarHBondContact O-N 3.28Å; S931-L934 PolarHBondContact O-N 2.63Å; S931-S935 PolarHBondContact O-N 2.96Å; S931-S935 PolarHBondContact O-OG 3.26Å; S931-S935 VanDerWaalsContact O-OG 3.06Å
932	S	86.2	Confident	86	Confident	70 Å²	70	105 Å²	105	49%	0.49	55%	0.546	S	S	.	.	H	α-helix	trans	-70.6	-28.8	175.2	62.8	0	0	0	0	113.5	R928 K929 L930 S935 L936	R928-S932 PolarHBondContact O-N 3Å; R928-S932 PolarHBondContact O-OG 3.47Å; K929-S932 PolarHBondContact O-OG 3.39Å; L930-S932 PolarHBondContact O-N 2.77Å; S932-S935 PolarHBondContact O-OG 3.06Å; S932-L936 WeakPolarHBondContact O-CB 3.31Å; S932-L936 PolarHBondContact O-N 2.99Å
933	R	88.3	Confident	86.1	Confident	172 Å²	172	101.9 Å²	101.9	65%	0.649	53%	0.531	S	S	*	.	H	α-helix	trans	-71.6	-36.5	169.4	-77.8	178.8	168.3	-162.2	-4.3	112.5	K929 L930 L936 L937	K929-R933 WeakPolarHBondContact O-CG 3.47Å; K929-R933 PolarHBondContact O-N 2.8Å; L930-R933 PolarHBondContact O-N 3.42Å; R933-L936 PolarHBondContact O-N 3.22Å; R933-L937 PolarHBondContact O-N 3.16Å
934	L	87.4	Confident	86.5	Confident	117 Å²	117	100.3 Å²	100.3	61%	0.613	53%	0.526	S	S	*	.	H	α-helix	trans	-66.3	-46.4	178.5	-170	68.5	0	0	0	111.5	L930 S931 L936 L937 E938	L930-L934 PolarHBondContact O-N 2.73Å; S931-L934 PolarHBondContact O-N 2.63Å; L934-L936 VanDerWaalsContact C-N 3.34Å; L934-L936 PolarHBondContact O-N 3.37Å; L934-L937 WeakPolarHBondContact O-CB 3.49Å; L934-L937 PolarHBondContact O-N 3.01Å; L934-E938 WeakPolarHBondContact O-CB 3.38Å; L934-E938 PolarHBondContact O-N 3.17Å
935	S	86.3	Confident	86.3	Confident	62 Å²	62	99.6 Å²	99.6	43%	0.434	53%	0.527	S	S	.	.	H	α-helix	trans	-66.8	-31.2	176.4	48.5	0	0	0	0	113.3	S931 S932 E938 S939	S931-S935 PolarHBondContact O-N 2.96Å; S931-S935 PolarHBondContact O-OG 3.26Å; S931-S935 VanDerWaalsContact O-OG 3.06Å; S932-S935 PolarHBondContact O-OG 3.06Å; S935-E938 PolarHBondContact O-N 3.49Å; S935-S939 WeakPolarHBondContact O-CB 3.45Å; S935-S939 PolarHBondContact O-N 2.98Å
936	L	89.3	Confident	86.2	Confident	102 Å²	102	105.1 Å²	105.1	53%	0.534	54%	0.537	S	S	.	.	H	α-helix	trans	-65.2	-42.5	170.1	-176.3	65.4	0	0	0	111.8	S932 R933 L934 S939 Q940	S932-L936 WeakPolarHBondContact O-CB 3.31Å; S932-L936 PolarHBondContact O-N 2.99Å; R933-L936 PolarHBondContact O-N 3.22Å; L934-L936 VanDerWaalsContact C-N 3.34Å; L934-L936 PolarHBondContact O-N 3.37Å; L936-S939 PolarHBondContact O-N 3.46Å; L936-Q940 WeakPolarHBondContact O-CG 3.35Å; L936-Q940 PolarHBondContact O-N 2.92Å
937	L	86.4	Confident	86	Confident	100 Å²	100	105.1 Å²	105.1	52%	0.524	54%	0.537	S	S	.	.	H	α-helix	trans	-64.1	-42.6	174.1	-93.5	162.9	0	0	0	112.1	R933 L934 S939 Q940 V941	R933-L937 PolarHBondContact O-N 3.16Å; L934-L937 WeakPolarHBondContact O-CB 3.49Å; L934-L937 PolarHBondContact O-N 3.01Å; L937-S939 VanDerWaalsContact C-N 3.33Å; L937-S939 PolarHBondContact O-N 3.37Å; L937-Q940 PolarHBondContact O-N 2.95Å; L937-V941 WeakPolarHBondContact O-CG2 3.37Å; L937-V941 PolarHBondContact O-N 3.21Å
938	E	88.6	Confident	85.3	Confident	132 Å²	132	105 Å²	105	62%	0.617	54%	0.537	S	S	*	.	H	α-helix	trans	-62.2	-39.8	177	-172.2	171.5	-154.1	0	0	111.8	L934 S935 S942	L934-E938 WeakPolarHBondContact O-CB 3.38Å; L934-E938 PolarHBondContact O-N 3.17Å; S935-E938 PolarHBondContact O-N 3.49Å; E938-S942 VanDerWaalsContact O-CB 3.31Å; E938-S942 WeakPolarHBondContact O-CB 3.28Å; E938-S942 PolarHBondContact O-N 3.05Å; E938-S942 PolarHBondContact O-OG 3.25Å
939	S	87.4	Confident	84.7	Confident	76 Å²	76	99.3 Å²	99.3	53%	0.531	52%	0.524	S	S	.	.	H	α-helix	trans	-62.8	-46.4	171	-178.7	0	0	0	0	112.2	S935 L936 L937 V941 S942 E943	S935-S939 WeakPolarHBondContact O-CB 3.45Å; S935-S939 PolarHBondContact O-N 2.98Å; L936-S939 PolarHBondContact O-N 3.46Å; L937-S939 VanDerWaalsContact C-N 3.33Å; L937-S939 PolarHBondContact O-N 3.37Å; S939-V941 PolarHBondContact O-N 3.4Å; S939-S942 WeakPolarHBondContact O-CB 3.46Å; S939-S942 PolarHBondContact O-N 2.98Å; S939-E943 PolarHBondContact O-N 3.46Å
940	Q	89.4	Confident	83.8	Confident	110 Å²	110	96 Å²	96	51%	0.514	52%	0.517	S	S	.	.	H	α-helix	trans	-62.7	-43	176.8	-74.3	177.5	-14.5	0	0	112.6	L936 L937 S942 E943 V944	L936-Q940 WeakPolarHBondContact O-CG 3.35Å; L936-Q940 PolarHBondContact O-N 2.92Å; L937-Q940 PolarHBondContact O-N 2.95Å; Q940-S942 VanDerWaalsContact C-N 3.34Å; Q940-E943 PolarHBondContact O-N 2.89Å; Q940-V944 WeakPolarHBondContact O-CG2 3.45Å; Q940-V944 PolarHBondContact O-N 3.03Å
941	V	88.3	Confident	82.7	Confident	83 Å²	83	98 Å²	98	50%	0.503	52%	0.52	S	S	.	.	H	α-helix	trans	-63.6	-41	174.8	170	0	0	0	0	110.9	L937 S939 E943 V944 L945	L937-V941 WeakPolarHBondContact O-CG2 3.37Å; L937-V941 PolarHBondContact O-N 3.21Å; S939-V941 PolarHBondContact O-N 3.4Å; V941-E943 PolarHBondContact O-N 3.25Å; V941-V944 PolarHBondContact O-N 3.39Å; V941-L945 HydrophobicContact CG1-CD1 4Å; V941-L945 HydrophobicContact CG1-CG 4.46Å; V941-L945 WeakPolarHBondContact O-CB 3.4Å; V941-L945 VanDerWaalsContact O-CG 3.31Å; V941-L945 WeakPolarHBondContact O-CG 3.43Å; V941-L945 PolarHBondContact O-N 3.47Å
942	S	86.4	Confident	81.3	Confident	67 Å²	67	103.9 Å²	103.9	47%	0.469	53%	0.531	S	S	.	.	H	α-helix	trans	-61.8	-42.3	176.1	-62	0	0	0	0	112.2	E938 S939 Q940 L945 R946	E938-S942 VanDerWaalsContact O-CB 3.31Å; E938-S942 WeakPolarHBondContact O-CB 3.28Å; E938-S942 PolarHBondContact O-N 3.05Å; E938-S942 PolarHBondContact O-OG 3.25Å; S939-S942 WeakPolarHBondContact O-CB 3.46Å; S939-S942 PolarHBondContact O-N 2.98Å; Q940-S942 VanDerWaalsContact C-N 3.34Å; S942-L945 PolarHBondContact O-N 3.36Å; S942-R946 WeakPolarHBondContact O-CB 3.47Å; S942-R946 PolarHBondContact O-N 3.44Å
943	E	88.2	Confident	79.5	Confident	77 Å²	77	110.5 Å²	110.5	36%	0.36	55%	0.545	S	S	.	.	H	α-helix	trans	-69.9	-38.1	177.4	-172.2	57.6	-159.1	0	0	112.1	S939 Q940 V941 R946 L947	S939-E943 PolarHBondContact O-N 3.46Å; Q940-E943 PolarHBondContact O-N 2.89Å; V941-E943 PolarHBondContact O-N 3.25Å; E943-R946 VanDerWaalsContact CD-NE 3.34Å; E943-R946 WeakPolarHBondContact O-CB 3.41Å; E943-R946 PolarHBondContact O-N 3.26Å; E943-R946 IonicContact OE1-CZ 3.31Å; E943-R946 IonicContact OE1-NE 3.23Å; E943-R946 PolarHBondContact OE1-NE 2.7Å; E943-R946 IonicContact OE1-NH2 2.84Å; E943-R946 PolarHBondContact OE1-NH2 3.12Å; E943-R946 IonicContact OE2-CZ 2.67Å; E943-R946 IonicContact OE2-NE 2.71Å; E943-R946 PolarHBondContact OE2-NE 2.89Å; E943-R946 IonicContact OE2-NH2 3.01Å; E943-L947 HydrophobicContact CG-CD1 4.4Å; E943-L947 WeakPolarHBondContact O-CB 3.46Å; E943-L947 VanDerWaalsContact O-CG 3.31Å; E943-L947 WeakPolarHBondContact O-CG 3.43Å; E943-L947 PolarHBondContact O-N 3.18Å
944	V	87.1	Confident	77.7	Confident	81 Å²	81	109.8 Å²	109.8	49%	0.491	55%	0.553	S	S	.	*	H	α-helix	trans	-61.2	-44.2	171.6	168.2	0	0	0	0	111.2	Q940 V941 R946 L947 L948	Q940-V944 WeakPolarHBondContact O-CG2 3.45Å; Q940-V944 PolarHBondContact O-N 3.03Å; V941-V944 PolarHBondContact O-N 3.39Å; V944-R946 VanDerWaalsContact C-N 3.34Å; V944-R946 PolarHBondContact O-N 2.78Å; V944-L947 PolarHBondContact O-N 2.89Å; V944-L948 HydrophobicContact CG1-CD1 3.96Å; V944-L948 HydrophobicContact CG1-CG 4.5Å; V944-L948 WeakPolarHBondContact O-CB 3.47Å; V944-L948 VanDerWaalsContact O-CG 3.29Å; V944-L948 WeakPolarHBondContact O-CG 3.34Å; V944-L948 PolarHBondContact O-N 3.07Å
945	L	79.1	Confident	75.8	Confident	107 Å²	107	108.3 Å²	108.3	56%	0.56	55%	0.553	S	S	*	*	H	α-helix	trans	-63	-39.2	174.2	-72.6	169.7	0	0	0	111.7	V941 S942 L948 S949	V941-L945 HydrophobicContact CG1-CD1 4Å; V941-L945 HydrophobicContact CG1-CG 4.46Å; V941-L945 WeakPolarHBondContact O-CB 3.4Å; V941-L945 VanDerWaalsContact O-CG 3.31Å; V941-L945 WeakPolarHBondContact O-CG 3.43Å; V941-L945 PolarHBondContact O-N 3.47Å; S942-L945 PolarHBondContact O-N 3.36Å; L945-L948 PolarHBondContact O-N 3.04Å; L945-S949 WeakPolarHBondContact O-CB 3.08Å; L945-S949 PolarHBondContact O-N 3.23Å
946	R	83.8	Confident	73.6	Confident	151 Å²	151	112.1 Å²	112.1	57%	0.57	57%	0.568	S	S	*	*	H	α-helix	trans	-61	-47.8	175	-161.1	178.9	75.8	93.9	2.6	111.1	S942 E943 V944 S949 S950	S942-R946 WeakPolarHBondContact O-CB 3.47Å; S942-R946 PolarHBondContact O-N 3.44Å; E943-R946 VanDerWaalsContact CD-NE 3.34Å; E943-R946 WeakPolarHBondContact O-CB 3.41Å; E943-R946 PolarHBondContact O-N 3.26Å; E943-R946 IonicContact OE1-CZ 3.31Å; E943-R946 IonicContact OE1-NE 3.23Å; E943-R946 PolarHBondContact OE1-NE 2.7Å; E943-R946 IonicContact OE1-NH2 2.84Å; E943-R946 PolarHBondContact OE1-NH2 3.12Å; E943-R946 IonicContact OE2-CZ 2.67Å; E943-R946 IonicContact OE2-NE 2.71Å; E943-R946 PolarHBondContact OE2-NE 2.89Å; E943-R946 IonicContact OE2-NH2 3.01Å; V944-R946 VanDerWaalsContact C-N 3.34Å; V944-R946 PolarHBondContact O-N 2.78Å; R946-S949 PolarHBondContact O-N 3.08Å; R946-S949 PolarHBondContact O-OG 3Å; R946-S950 PolarHBondContact O-N 3.18Å
947	L	82.1	Confident	71.3	Confident	94 Å²	94	112.4 Å²	112.4	49%	0.492	58%	0.575	S	S	.	*	H	α-helix	trans	-62.9	-44.4	177.4	-70.6	168.7	0	0	0	112.2	E943 V944 S949 S950 K951	E943-L947 HydrophobicContact CG-CD1 4.4Å; E943-L947 WeakPolarHBondContact O-CB 3.46Å; E943-L947 VanDerWaalsContact O-CG 3.31Å; E943-L947 WeakPolarHBondContact O-CG 3.43Å; E943-L947 PolarHBondContact O-N 3.18Å; V944-L947 PolarHBondContact O-N 2.89Å; L947-S949 VanDerWaalsContact C-N 3.32Å; L947-S949 PolarHBondContact O-N 3.41Å; L947-S950 PolarHBondContact O-N 3.18Å; L947-S950 PolarHBondContact O-OG 3.14Å; L947-K951 WeakPolarHBondContact O-CB 3.48Å; L947-K951 PolarHBondContact O-N 3.26Å
948	L	71.6	Confident	69.3	Low	107 Å²	107	113.9 Å²	113.9	56%	0.56	59%	0.591	S	S	*	*	H	α-helix	trans	-61.1	-39.6	173.4	-71	169.1	0	0	0	112	V944 L945 R952	V944-L948 HydrophobicContact CG1-CD1 3.96Å; V944-L948 HydrophobicContact CG1-CG 4.5Å; V944-L948 WeakPolarHBondContact O-CB 3.47Å; V944-L948 VanDerWaalsContact O-CG 3.29Å; V944-L948 WeakPolarHBondContact O-CG 3.34Å; V944-L948 PolarHBondContact O-N 3.07Å; L945-L948 PolarHBondContact O-N 3.04Å; L948-R952 PolarHBondContact O-N 3.09Å; L948-R952 VanDerWaalsContact O-N 3.15Å
949	S	72	Confident	66.6	Low	55 Å²	55	114.5 Å²	114.5	39%	0.385	60%	0.604	S	S	.	*	H	α-helix	trans	-67.2	-37.1	177.3	84.9	0	0	0	0	112.8	L945 R946 L947 R953	L945-S949 WeakPolarHBondContact O-CB 3.08Å; L945-S949 PolarHBondContact O-N 3.23Å; R946-S949 PolarHBondContact O-N 3.08Å; R946-S949 PolarHBondContact O-OG 3Å; L947-S949 VanDerWaalsContact C-N 3.32Å; L947-S949 PolarHBondContact O-N 3.41Å; S949-R953 PolarHBondContact O-N 3.1Å
950	S	67.3	Low	64	Low	56 Å²	56	116 Å²	116	39%	0.392	61%	0.614	S	S	.	*	H	α-helix	trans	-69.9	-42.9	177.5	71.3	0	0	0	0	111.6	R946 L947 R952 R953 L954	R946-S950 PolarHBondContact O-N 3.18Å; L947-S950 PolarHBondContact O-N 3.18Å; L947-S950 PolarHBondContact O-OG 3.14Å; S950-R952 VanDerWaalsContact C-N 3.27Å; S950-R952 PolarHBondContact O-N 3.1Å; S950-R953 PolarHBondContact O-N 2.77Å; S950-L954 PolarHBondContact O-N 2.78Å
951	K	60.7	Low	61.4	Low	164 Å²	164	115.3 Å²	115.3	71%	0.713	62%	0.622	S	S	*	*	H	α-helix	trans	-62.7	-32.6	177.5	-160.4	170.1	-174.1	176.3	0	112.2	L947	L947-K951 WeakPolarHBondContact O-CB 3.48Å; L947-K951 PolarHBondContact O-N 3.26Å
952	R	50.6	Low	58.8	Low	198 Å²	198	120.8 Å²	120.8	75%	0.747	64%	0.639	S	S	*	*	H	α-helix	trans	-71.2	-22.8	173.2	-179.2	177	-85.4	-169.4	-4.4	114	L948 S950 S955	L948-R952 PolarHBondContact O-N 3.09Å; L948-R952 VanDerWaalsContact O-N 3.15Å; S950-R952 VanDerWaalsContact C-N 3.27Å; S950-R952 PolarHBondContact O-N 3.1Å; R952-S955 PolarHBondContact O-OG 2.65Å
953	R	50.1	Low	56.3	Low	209 Å²	209	121.9 Å²	121.9	79%	0.789	65%	0.652	S	S	*	*	H	α-helix	trans	-82.7	-19.9	177.8	-68.1	-176	-163	-139	5.6	113.7	S949 S950 S955	S949-R953 PolarHBondContact O-N 3.1Å; S950-R953 PolarHBondContact O-N 2.77Å; R953-S955 VanDerWaalsContact C-N 3.35Å
954	L	50.8	Low	53.6	Low	157 Å²	157	129 Å²	129	82%	0.822	68%	0.676	S	S	*	*	S	Bend	trans	-85.9	-0	-178.6	-78.6	161.8	0	0	0	114.3	S950	S950-L954 PolarHBondContact O-N 2.78Å
955	S	47.1	Very low	51	Low	87 Å²	87	131 Å²	131	61%	0.608	68%	0.682	S	S	*	*	S	Bend	trans	-120	25.6	-169.3	64.3	0	0	0	0	115	R952 R953	R952-S955 PolarHBondContact O-OG 2.65Å; R953-S955 VanDerWaalsContact C-N 3.35Å
956	L	40	Very low	48.7	Very low	142 Å²	142	135 Å²	135	74%	0.743	70%	0.695	S	S	*	*			trans	-136.2	121.4	178.6	-83.7	160.8	0	0	0	111.5
957	P	40.8	Very low	46.1	Very low	107 Å²	107	132.5 Å²	132.5	70%	0.695	70%	0.701	S	S	*	*			trans	-79.7	157.1	174.9	33.3	-34.7	0	0	0	112.1
958	P	43.8	Very low	43.7	Very low	131 Å²	131	135.7 Å²	135.7	85%	0.851	71%	0.713	S	S	*	*			trans	-81.1	137	-177.4	32.4	-34.4	0	0	0	112.5
959	T	33.1	Very low	41.8	Very low	145 Å²	145	137.4 Å²	137.4	89%	0.89	72%	0.723	S	S	*	*			trans	-130.2	151.3	165.4	50.2	0	0	0	0	110
960	S	32.2	Very low	39.8	Very low	107 Å²	107	139 Å²	139	75%	0.748	74%	0.739	S	S	*	*			trans	-114.9	136.9	-161.4	68.4	0	0	0	0	114.4
961	S	33.9	Very low	38.1	Very low	96 Å²	96	142.8 Å²	142.8	67%	0.671	76%	0.76	S	S	*	*			trans	63.4	133.4	143.6	74.6	0	0	0	0	121.9
962	K	35	Very low	36.6	Very low	199 Å²	199	139.4 Å²	139.4	87%	0.865	76%	0.762	S	S	*	*			trans	78.5	122.7	141.5	-75.5	173	177.1	177.2	0	121.3
963	A	32.5	Very low	35.7	Very low	90 Å²	90	135.4 Å²	135.4	74%	0.744	77%	0.765	S	S	*	*				96.5	111.2	124.3	0	0	0	0	0	121.8
964	R	31.6	Very low	34.7	Very low	227 Å²	227	130.5 Å²	130.5	86%	0.857	76%	0.762	S	S	*	*				55.3	128.5	124	-88	-174.5	157.6	-167.8	-3.1	122.2
965	I	32.4	Very low	33.9	Very low	123 Å²	123	133.8 Å²	133.8	63%	0.631	76%	0.764	S	S	*	*			trans	91.4	111.9	130.9	-70.1	171.3	0	0	0	120
966	K	30.8	Very low	33.1	Very low	190 Å²	190	136.3 Å²	136.3	83%	0.826	78%	0.775	S	S	*	*			trans	51.1	154.4	136.4	-65.1	-171.1	171.9	-171.6	0	124
967	S	30.5	Very low	32.8	Very low	99 Å²	99	135.2 Å²	135.2	69%	0.692	77%	0.774	S	S	*	*			trans	84.7	101.2	141.8	34.4	0	0	0	0	121.1
968	H	31.3	Very low	32.4	Very low	161 Å²	161	134.3 Å²	134.3	75%	0.745	78%	0.776	S	S	*	*				66	133.7	117.1	-87.5	-83.8	0	0	0	122.2
969	D	31.7	Very low	32.4	Very low	143 Å²	143	134 Å²	134	77%	0.765	77%	0.773	S	S	*	*			trans	66.8	139.4	142.3	-55.6	-11.5	0	0	0	117.6
970	A	29.8	Very low	32.3	Very low	87 Å²	87	137.1 Å²	137.1	72%	0.719	78%	0.775	S	S	*	*			cis	-165.4	-165.9	10.9	0	0	0	0	0	111.7
971	V	31.9	Very low	32.6	Very low	137 Å²	137	136 Å²	136	83%	0.83	77%	0.771	S	S	*	*			trans	92.9	131.4	152.6	-173.6	0	0	0	0	119
972	A	29.7	Very low	32.8	Very low	93 Å²	93	140.3 Å²	140.3	77%	0.769	78%	0.781	S	S	*	*			trans	67.8	158	157.2	0	0	0	0	0	119.9
973	S	29.8	Very low	33.3	Very low	114 Å²	114	140 Å²	140	80%	0.797	78%	0.783	S	S	*	*			cis	-169.7	170.3	-28.6	-173.4	0	0	0	0	109.4
974	S	30.5	Very low	33.9	Very low	105 Å²	105	145.4 Å²	145.4	73%	0.734	79%	0.793	S	S	*	*			trans	65.8	112.6	157.1	-157.9	0	0	0	0	119.6
975	R	34.4	Very low	34.6	Very low	226 Å²	226	140 Å²	140	85%	0.853	79%	0.79	S	S	*	*			trans	-77.5	149.5	155	-79	173.6	163.3	170.8	-6.8	110.4
976	V	30.1	Very low	34.8	Very low	140 Å²	140	146 Å²	146	85%	0.848	82%	0.822	S	S	*	*			trans	-133.6	132.3	136.7	-179.2	0	0	0	0	107.6
977	V	32.3	Very low	35	Very low	120 Å²	120	143.8 Å²	143.8	73%	0.727	82%	0.822	S	S	*	*			trans	-134.7	135.2	175.7	174.6	0	0	0	0	107.3
978	A	33.3	Very low	35.2	Very low	88 Å²	88	146.2 Å²	146.2	73%	0.727	83%	0.828	S	S	*	*			trans	-71.8	149.5	-179.8	0	0	0	0	0	111.9
979	P	43.6	Very low	35.4	Very low	123 Å²	123	145.3 Å²	145.3	80%	0.799	83%	0.833	S	S	*	*			trans	-83.2	159.4	-164.1	32.9	-37	0	0	0	114.8
980	K	31.7	Very low	35.7	Very low	212 Å²	212	145.5 Å²	145.5	92%	0.922	84%	0.837	S	S	*	*			trans	-107.4	146.8	149.6	-87	-171.8	171.4	-171.4	0	108.6
981	A	36.8	Very low	36	Very low	82 Å²	82	149.1 Å²	149.1	68%	0.678	84%	0.844	S	S	*	*			trans	-148.8	151.3	165.7	0	0	0	0	0	106.8
982	E	38.7	Very low	36.3	Very low	187 Å²	187	149.9 Å²	149.9	87%	0.874	85%	0.845	S	S	*	*			cis	-156	165.2	-11.1	-118.5	154.4	178.9	0	0	108
983	E	44.9	Very low	36.8	Very low	193 Å²	193	154 Å²	154	90%	0.902	85%	0.851	S	S	*	*			trans	-98.8	137.3	161.1	-71.2	178.9	117.3	0	0	108.2
984	E	46.9	Very low	37.3	Very low	203 Å²	203	157.1 Å²	157.1	95%	0.949	86%	0.855	S	S	*	*			trans	-131.5	149.1	150.9	-83.9	-154.7	136.6	0	0	109.4
985	S	44.7	Very low	37.9	Very low	114 Å²	114	161.4 Å²	161.4	80%	0.797	87%	0.865	S	S	*	*			trans	-107.6	130.4	-165.1	57.5	0	0	0	0	113.1
986	L	36.8	Very low	38.2	Very low	249 Å²	249	155.5 Å²	155.5	100%	1.304	87%	0.866	S	S	*	*			trans	-158.2	0	150.6	-111.8	166.6	0	0	0	111

Retrieved 986 of 986 residues in 554.4 ms (Link to these results)

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