A0A093I2N4_STRCA Loading...

1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma

Mediates the production of the second messenger molecules diacylglycerol (DAG) and inositol 1,4,5-trisphosphate (IP3). Plays an important role in the regulation of intracellular signaling cascades. The production of the second messenger molecules diacylglycerol (DAG) and inositol 1,4,5-trisphosphate (IP3) is mediated by activated phosphatidylinositol-specific phospholipase C enzymes. It is a crucial enzyme in transmembrane signaling.

AlphaFold DB , UniProt , Accession A0A093I2N4, Species STRCA (Struthio camelus australis), Gene n/a, Length 1,265 aa.

						>A0A093I2N4_STRCA|A0A093I2N4
MPRKSIDYGVLPEYEKSQIKRTLELGTVMTVFSLRKSNPERRTIQVIMETRQVAWSKTADKIEGFLDLMEIKEIRPGKNSKDFERGKAKQKEQHCFTIFYGTQFVLNTLSLAADSKDDADKWLCGLNILYQEVISAPTPAITESWLRKQIYSVDQTRRNSISLRELKTVLPQVNFKVSSMKFLKDKFAEIGAHKEELSFEQFHLFYKKIMFEQQKSILDEFKKDSSVFILGNTDRPDASAIHLHDFQRFLLHEQQESWAQDLSKVRERMTKFIDDTMRETAEPFLFVDEFLTYLFAKENSIWDEKYESIDVQDMNNPLSHYWISSSHNTYLTGDQLRSESSTEAYIRCLRMGCRCIELDCWDGPDGKPIIYHGWTRTTKIKFDDVVQAIKDHAFVASEYPVILSIEEHCSVEQQRHMAKVFKEVFGDQLLMKPIEASADQLPSPTQLKEKIIIKHKKLGPKGDIDVNLEDKKEEKKQQGELYMWDTIEQKWTRHYCAISDEKLSFSDDIEQNTEEDSSKEVKRTELHLKEKWFHGKMKEGRTTAEKLLQEYCAEMGGQDGTFLVRESEAFPNDCTLSFWRSGRVQHCRIRSSGDGDNVKYYLTDNLTFDSIYDLIQHYREAHLRCAEFELRLTDAVPNPSPHETKDWYYSNLSRGEAEDMLMRIPRDGAFLIRKRDEPDSFAMTFRAEGKVKHFRIQQEGRHFVLGTSAYFESLVELVTYYEKHPLYRKMKLRYPVTEELLERYSTEKDINSLYDVKMYVEPSEITPTVPQRTVKALYDYRAKRSDELSFCRGALIHNVTKETGGWWKGDYGEKVQHYFPSNYVEDMSSDSSAELESQIIEDNPLGSLCRGILVLNTYNVVKMPQGKHQKPFVFILEPKSPEDPPVEFATDKVEELFEWYQGIREITWKTAEEENRRKYWEKNQLIAIELSDLVIYCKPTSKTKDNLENPDFKEIRSFVETKAESIVKQKPVELLKYNQKGLTRVYPKGQRVDSSNYDPFRLWLCGSQMVALNFQTPDKYMQLNHALFSLNGRTGYVLQPESMRNEEYDPMPNESRRKLQMIMTVRVLGARHLPKPGRSIACPFVEVEICGAEYDNNKFKTTVVNDNGLNPVWVPCPEQVKFEIYDPNLAFLRFVVYEEDMFSDPNFLAHATFPIKGIKSGFRSVPLKNGYSEDIELASLLVHCEMQQVLESEEELYSSCRQLRKRQEELNNQLFLYDTHLNLRNPNRDAILKEFNVNEHKLQIYQETCNRRLKEKKVSNSKFYS
					

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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	20.4	Very low	41	Very low	232 Å²	232	130.1 Å²	130.1	100%	1.143	69%	0.686	S	S	*	*				0	116.3	0	-73.3	-151.4	177.1	0	0	107.9	R3	M1-R3 PolarHBondContact O-N 3.01Å
2	P	27.1	Very low	44.6	Very low	129 Å²	129	125.2 Å²	125.2	84%	0.838	67%	0.668	S	S	*	*			trans	-70.1	128.6	174.9	29.5	-29.1	0	0	0	107.9	K4	P2-K4 PolarHBondContact O-N 2.99Å; P2-K4 VanDerWaalsContact O-N 3.1Å
3	R	25.1	Very low	47.5	Very low	242 Å²	242	123.9 Å²	123.9	91%	0.913	66%	0.655	S	S	*	*			trans	-59	115.2	169.2	-78.7	177.5	174.3	169.7	-0.4	106.4	M1 S5	M1-R3 PolarHBondContact O-N 3.01Å; R3-S5 PolarHBondContact O-N 2.95Å; R3-S5 VanDerWaalsContact O-N 3.14Å
4	K	28.2	Very low	50.3	Low	197 Å²	197	127.6 Å²	127.6	86%	0.857	66%	0.658	S	S	*	*			trans	-45.1	122.8	163	-75	-179.1	172.6	-175.7	0	107.1	P2 I6	P2-K4 PolarHBondContact O-N 2.99Å; P2-K4 VanDerWaalsContact O-N 3.1Å; K4-I6 PolarHBondContact O-N 3.49Å
5	S	33	Very low	52.6	Low	108 Å²	108	124.8 Å²	124.8	76%	0.755	64%	0.641	S	S	*	*			trans	-48.5	127.1	158.6	45.3	0	0	0	0	106.4	R3 D7	R3-S5 PolarHBondContact O-N 2.95Å; R3-S5 VanDerWaalsContact O-N 3.14Å; S5-D7 PolarHBondContact O-N 3.34Å
6	I	39	Very low	54.8	Low	115 Å²	115	119.6 Å²	119.6	59%	0.59	61%	0.612	S	S	*	*			trans	-61.6	115.8	168.8	-64.4	170.3	0	0	0	104.3	K4 Y8	K4-I6 PolarHBondContact O-N 3.49Å; I6-Y8 VanDerWaalsContact C-N 3.25Å; I6-Y8 HydrophobicContact CB-CD1 4.27Å; I6-Y8 HydrophobicContact CB-CE1 3.77Å; I6-Y8 HydrophobicContact CB-CE2 4.1Å; I6-Y8 HydrophobicContact CD1-CE1 4.42Å; I6-Y8 HydrophobicContact CG2-CD1 3.68Å; I6-Y8 HydrophobicContact CG2-CE1 3.51Å; I6-Y8 HydrophobicContact CG2-CG 4.29Å; I6-Y8 WeakPolarHBondContact O-CD2 3.38Å; I6-Y8 VanDerWaalsContact O-CE2 3.31Å; I6-Y8 WeakPolarHBondContact O-CE2 3.35Å; I6-Y8 PolarHBondContact O-N 3.18Å
7	D	42.3	Very low	56.8	Low	122 Å²	122	115.8 Å²	115.8	65%	0.652	60%	0.599	S	S	*	*			trans	-72.7	86.4	177.4	-168.6	-1.1	0	0	0	107.9	S5 G9 V10	S5-D7 PolarHBondContact O-N 3.34Å; D7-G9 PolarHBondContact O-N 3.15Å; D7-V10 PolarHBondContact O-N 2.86Å
8	Y	50.1	Low	58.7	Low	62 Å²	62	115.5 Å²	115.5	24%	0.243	59%	0.594	C	S	.	*	G	3₁₀ helix	trans	-65.9	-5.3	-175	-60.8	-73.2	0	0	0	113.1	I6 V10 C124	I6-Y8 VanDerWaalsContact C-N 3.25Å; I6-Y8 HydrophobicContact CB-CD1 4.27Å; I6-Y8 HydrophobicContact CB-CE1 3.77Å; I6-Y8 HydrophobicContact CB-CE2 4.1Å; I6-Y8 HydrophobicContact CD1-CE1 4.42Å; I6-Y8 HydrophobicContact CG2-CD1 3.68Å; I6-Y8 HydrophobicContact CG2-CE1 3.51Å; I6-Y8 HydrophobicContact CG2-CG 4.29Å; I6-Y8 WeakPolarHBondContact O-CD2 3.38Å; I6-Y8 VanDerWaalsContact O-CE2 3.31Å; I6-Y8 WeakPolarHBondContact O-CE2 3.35Å; I6-Y8 PolarHBondContact O-N 3.18Å; Y8-V10 PolarHBondContact O-N 2.97Å; Y8-C124 HydrophobicContact CD1-CB 3.91Å; Y8-C124 WeakPolarHBondContact CD1-SG 3.49Å; Y8-C124 HydrophobicContact CE1-CB 3.84Å
9	G	50.5	Low	60.5	Low	57 Å²	57	110.7 Å²	110.7	59%	0.588	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-69.3	-16.2	175.1	0	0	0	0	0	114.7	D7	D7-G9 PolarHBondContact O-N 3.15Å
10	V	59.1	Low	62.1	Low	119 Å²	119	106.9 Å²	106.9	72%	0.721	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-93	-1	-173.1	-168.8	0	0	0	0	113.3	D7 Y8	D7-V10 PolarHBondContact O-N 2.86Å; Y8-V10 PolarHBondContact O-N 2.97Å
11	L	76.1	Confident	63.5	Low	48 Å²	48	110 Å²	110	25%	0.251	55%	0.553	S	S	.	*	S	Bend	trans	-70.1	136.1	-179	-68.1	169.2	0	0	0	112	E15 K16 I19 C124 I128	L11-E15 VanDerWaalsContact CD2-OE2 3.31Å; L11-E15 WeakPolarHBondContact CD2-OE2 3.28Å; L11-K16 HydrophobicContact CB-CG 4.07Å; L11-K16 VanDerWaalsContact O-CE 3.26Å; L11-K16 WeakPolarHBondContact O-CE 3.21Å; L11-I19 HydrophobicContact CD1-CD1 4.28Å; L11-C124 VanDerWaalsContact CD1-SG 3.54Å; L11-I128 HydrophobicContact CD1-CD1 4.48Å
12	P	84.1	Confident	66.9	Low	71 Å²	71	100.8 Å²	100.8	46%	0.461	51%	0.51	S	S	.	.			trans	-58.1	147.4	171.5	-22.5	32.4	0	0	0	112.5	Y14 E15 K16	P12-Y14 PolarHBondContact O-N 2.86Å; P12-Y14 VanDerWaalsContact O-N 3.15Å; P12-E15 HydrophobicContact CB-CG 4.49Å; P12-E15 HydrophobicContact CG-CG 4.47Å; P12-E15 PolarHBondContact O-N 3.24Å; P12-K16 PolarHBondContact O-N 3.46Å; P12-K16 VanDerWaalsContact O-N 3.13Å
13	E	82.9	Confident	70.1	Confident	109 Å²	109	94.7 Å²	94.7	51%	0.509	47%	0.47	S	S	.	.	H	α-helix	trans	-60	-30.9	-175.7	-162.4	56.4	-144.1	0	0	113.7	K16 S17	E13-K16 IonicContact OE2-NZ 3.91Å; E13-S17 WeakPolarHBondContact O-CB 3.46Å; E13-S17 PolarHBondContact O-N 3.39Å; E13-S17 PolarHBondContact O-OG 3.39Å
14	Y	85.9	Confident	73.4	Confident	175 Å²	175	88 Å²	88	69%	0.686	45%	0.449	S	S	*	.	H	α-helix	trans	-62.3	-43.3	172.8	172.8	-98.8	0	0	0	112.4	P12 S17 Q18	P12-Y14 PolarHBondContact O-N 2.86Å; P12-Y14 VanDerWaalsContact O-N 3.15Å; Y14-S17 WeakPolarHBondContact O-CB 3.32Å; Y14-S17 PolarHBondContact O-N 3.39Å; Y14-Q18 PolarHBondContact O-N 3.43Å
15	E	85.9	Confident	76.4	Confident	86 Å²	86	85 Å²	85	40%	0.402	44%	0.442	S	S	.	.	H	α-helix	trans	-69.3	-41.3	179.2	-67	-175.2	-174.1	0	0	111.1	L11 P12 S17 Q18 I19	L11-E15 VanDerWaalsContact CD2-OE2 3.31Å; L11-E15 WeakPolarHBondContact CD2-OE2 3.28Å; P12-E15 HydrophobicContact CB-CG 4.49Å; P12-E15 HydrophobicContact CG-CG 4.47Å; P12-E15 PolarHBondContact O-N 3.24Å; E15-S17 VanDerWaalsContact C-N 3.28Å; E15-S17 PolarHBondContact O-N 2.77Å; E15-Q18 PolarHBondContact O-N 3.02Å; E15-I19 WeakPolarHBondContact O-CG1 3.31Å; E15-I19 PolarHBondContact O-N 3.44Å
16	K	87.2	Confident	79.2	Confident	41 Å²	41	80.8 Å²	80.8	18%	0.178	42%	0.416	C	S	.	.	H	α-helix	trans	-57.2	-44.5	172.8	-65.3	-175.8	-176.4	165.4	0	111.1	L11 P12 E13 Q18 I19 K20 I128	L11-K16 HydrophobicContact CB-CG 4.07Å; L11-K16 VanDerWaalsContact O-CE 3.26Å; L11-K16 WeakPolarHBondContact O-CE 3.21Å; P12-K16 PolarHBondContact O-N 3.46Å; P12-K16 VanDerWaalsContact O-N 3.13Å; E13-K16 IonicContact OE2-NZ 3.91Å; K16-Q18 PolarHBondContact O-N 2.86Å; K16-I19 PolarHBondContact O-N 3.24Å; K16-K20 VanDerWaalsContact O-CB 3.31Å; K16-K20 WeakPolarHBondContact O-CB 3.16Å; K16-K20 WeakPolarHBondContact O-CG 3.31Å; K16-K20 PolarHBondContact O-N 3.04Å; K16-I128 HydrophobicContact CB-CD1 4.35Å; K16-I128 HydrophobicContact CG-CD1 3.97Å
17	S	89.4	Confident	81.9	Confident	56 Å²	56	76.1 Å²	76.1	39%	0.392	39%	0.393	S	S	.	.	H	α-helix	trans	-63.5	-38.9	177.8	-63	0	0	0	0	112.5	E13 Y14 E15 R21	E13-S17 WeakPolarHBondContact O-CB 3.46Å; E13-S17 PolarHBondContact O-N 3.39Å; E13-S17 PolarHBondContact O-OG 3.39Å; Y14-S17 WeakPolarHBondContact O-CB 3.32Å; Y14-S17 PolarHBondContact O-N 3.39Å; E15-S17 VanDerWaalsContact C-N 3.28Å; E15-S17 PolarHBondContact O-N 2.77Å; S17-R21 WeakPolarHBondContact O-CB 3.31Å; S17-R21 PolarHBondContact O-N 3.26Å
18	Q	90.7	Very high	84.3	Confident	110 Å²	110	73 Å²	73	51%	0.514	38%	0.378	S	S	.	.	H	α-helix	trans	-67.9	-40.8	176.7	-170.9	176.6	5.4	0	0	112.5	Y14 E15 K16 R21 T22	Y14-Q18 PolarHBondContact O-N 3.43Å; E15-Q18 PolarHBondContact O-N 3.02Å; K16-Q18 PolarHBondContact O-N 2.86Å; Q18-R21 PolarHBondContact O-N 2.77Å; Q18-T22 PolarHBondContact O-N 2.86Å; Q18-T22 VanDerWaalsContact O-N 3.09Å; Q18-T22 PolarHBondContact O-OG1 3.09Å
19	I	92.1	Very high	86.5	Confident	25 Å²	25	70.1 Å²	70.1	13%	0.128	37%	0.367	C	S	.	.	H	α-helix	trans	-62.9	-50.1	174.2	-67.4	169	0	0	0	109.6	L11 E15 K16 R21 T22 L23	L11-I19 HydrophobicContact CD1-CD1 4.28Å; E15-I19 WeakPolarHBondContact O-CG1 3.31Å; E15-I19 PolarHBondContact O-N 3.44Å; K16-I19 PolarHBondContact O-N 3.24Å; I19-R21 VanDerWaalsContact C-N 3.32Å; I19-R21 PolarHBondContact O-N 3.1Å; I19-T22 WeakPolarHBondContact O-CA 3.34Å; I19-T22 VanDerWaalsContact O-CB 3.31Å; I19-T22 WeakPolarHBondContact O-CB 3.31Å; I19-T22 PolarHBondContact O-N 3.47Å; I19-L23 HydrophobicContact CG2-CD1 3.99Å; I19-L23 WeakPolarHBondContact O-CD1 3.43Å; I19-L23 PolarHBondContact O-N 3.46Å
20	K	92.7	Very high	88.5	Confident	33 Å²	33	68.2 Å²	68.2	14%	0.143	34%	0.344	C	S	.	.	H	α-helix	trans	-51.7	-48.8	176.2	-84	-167.4	-71.2	-164.9	0	112	K16 T22 L23 E24 M48 L129 E132	K16-K20 VanDerWaalsContact O-CB 3.31Å; K16-K20 WeakPolarHBondContact O-CB 3.16Å; K16-K20 WeakPolarHBondContact O-CG 3.31Å; K16-K20 PolarHBondContact O-N 3.04Å; K20-T22 VanDerWaalsContact C-N 3.28Å; K20-T22 PolarHBondContact O-N 3.25Å; K20-L23 PolarHBondContact O-N 3.02Å; K20-E24 PolarHBondContact O-N 2.95Å; K20-M48 HydrophobicContact CB-CE 3.36Å; K20-M48 HydrophobicContact CD-CE 4.05Å; K20-M48 HydrophobicContact CG-CE 3.71Å; K20-M48 WeakPolarHBondContact O-CE 3.37Å; K20-L129 HydrophobicContact CD-CD2 3.96Å; K20-L129 HydrophobicContact CG-CD2 4.14Å; K20-E132 IonicContact NZ-OE1 2.77Å; K20-E132 PolarHBondContact NZ-OE1 3.24Å; K20-E132 IonicContact NZ-OE2 2.86Å
21	R	92.4	Very high	90.1	Very high	173 Å²	173	63.6 Å²	63.6	65%	0.653	32%	0.316	S	S	*	.	H	α-helix	trans	-61.7	-33.6	176.3	-170.6	174.9	-176.4	172.6	2.5	113.3	S17 Q18 I19 E24 L25	S17-R21 WeakPolarHBondContact O-CB 3.31Å; S17-R21 PolarHBondContact O-N 3.26Å; Q18-R21 PolarHBondContact O-N 2.77Å; I19-R21 VanDerWaalsContact C-N 3.32Å; I19-R21 PolarHBondContact O-N 3.1Å; R21-E24 PolarHBondContact O-N 2.64Å; R21-L25 HydrophobicContact CG-CD1 4.49Å; R21-L25 VanDerWaalsContact O-CG 3.31Å; R21-L25 WeakPolarHBondContact O-CG 3.42Å; R21-L25 PolarHBondContact O-N 3.29Å
22	T	91.9	Very high	90.8	Very high	39 Å²	39	61.6 Å²	61.6	24%	0.239	31%	0.305	C	S	.	.	H	α-helix	trans	-68	-43.1	177	-55.3	0	0	0	0	111.3	Q18 I19 K20 E24 L25 G26	Q18-T22 PolarHBondContact O-N 2.86Å; Q18-T22 VanDerWaalsContact O-N 3.09Å; Q18-T22 PolarHBondContact O-OG1 3.09Å; I19-T22 WeakPolarHBondContact O-CA 3.34Å; I19-T22 VanDerWaalsContact O-CB 3.31Å; I19-T22 WeakPolarHBondContact O-CB 3.31Å; I19-T22 PolarHBondContact O-N 3.47Å; K20-T22 VanDerWaalsContact C-N 3.28Å; K20-T22 PolarHBondContact O-N 3.25Å; T22-E24 VanDerWaalsContact C-N 3.29Å; T22-E24 PolarHBondContact O-N 3.45Å; T22-L25 PolarHBondContact O-N 3.33Å; T22-G26 PolarHBondContact O-N 2.96Å
23	L	94.3	Very high	90.8	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-64.8	-35.8	176	-88.2	65.1	0	0	0	111.5	I19 K20 G26 Q45 V46 W122 L126 L129	I19-L23 HydrophobicContact CG2-CD1 3.99Å; I19-L23 WeakPolarHBondContact O-CD1 3.43Å; I19-L23 PolarHBondContact O-N 3.46Å; K20-L23 PolarHBondContact O-N 3.02Å; L23-G26 PolarHBondContact O-N 3.27Å; L23-Q45 CarbonylContact O-C 3.42Å; L23-Q45 WeakPolarHBondContact O-CA 3.32Å; L23-V46 HydrophobicContact CB-CB 4.18Å; L23-V46 HydrophobicContact CB-CG2 3.83Å; L23-V46 HydrophobicContact CD2-CG2 4Å; L23-V46 HydrophobicContact CG-CG2 4.29Å; L23-V46 PolarHBondContact O-N 3.38Å; L23-W122 HydrophobicContact CD1-CD2 4.35Å; L23-W122 HydrophobicContact CD1-CG 4.36Å; L23-W122 HydrophobicContact CD2-CE3 4.25Å; L23-W122 HydrophobicContact CD2-CZ3 4.49Å; L23-W122 HydrophobicContact CG-CD2 3.94Å; L23-W122 HydrophobicContact CG-CE3 4.06Å; L23-W122 HydrophobicContact CG-CG 4.44Å; L23-W122 HydrophobicContact CG-CH2 4.28Å; L23-W122 HydrophobicContact CG-CZ2 4.19Å; L23-W122 HydrophobicContact CG-CZ3 4.22Å; L23-L126 HydrophobicContact CD2-CG 4.45Å; L23-L129 HydrophobicContact CD2-CD1 3.97Å
24	E	93	Very high	90.3	Very high	101 Å²	101	58.4 Å²	58.4	47%	0.472	29%	0.291	S	S	.	.	H	α-helix	trans	-68.8	-41.6	176.7	-174.7	177.6	-152.4	0	0	113.2	K20 R21 T22 G26 V46 M48	K20-E24 PolarHBondContact O-N 2.95Å; R21-E24 PolarHBondContact O-N 2.64Å; T22-E24 VanDerWaalsContact C-N 3.29Å; T22-E24 PolarHBondContact O-N 3.45Å; E24-G26 PolarHBondContact O-N 2.91Å; E24-V46 WeakPolarHBondContact CA-O 3.27Å; E24-M48 HydrophobicContact CB-CG 4.39Å; E24-M48 HydrophobicContact CG-CG 4.3Å
25	L	91.6	Very high	89.7	Confident	134 Å²	134	61.1 Å²	61.1	70%	0.702	30%	0.3	S	S	*	.	H	α-helix	trans	-63.8	-24.7	174	-73.2	171.6	0	0	0	112.8	R21 T22	R21-L25 HydrophobicContact CG-CD1 4.49Å; R21-L25 VanDerWaalsContact O-CG 3.31Å; R21-L25 WeakPolarHBondContact O-CG 3.42Å; R21-L25 PolarHBondContact O-N 3.29Å; T22-L25 PolarHBondContact O-N 3.33Å
26	G	91.9	Very high	89	Confident	20 Å²	20	61.9 Å²	61.9	21%	0.206	30%	0.302	C	S	.	.			trans	87.6	157	177.8	0	0	0	0	0	114.1	T22 L23 E24 I44	T22-G26 PolarHBondContact O-N 2.96Å; L23-G26 PolarHBondContact O-N 3.27Å; E24-G26 PolarHBondContact O-N 2.91Å; G26-I44 CarbonylContact C-O 3.56Å; G26-I44 WeakPolarHBondContact CA-O 3.23Å
27	T	94.8	Very high	88	Confident	17 Å²	17	64.1 Å²	64.1	10%	0.104	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	133.1	-178.2	-57	0	0	0	0	109.3	M29 I44 D118 W122	T27-M29 HydrophobicContact CG2-CE 3.77Å; T27-M29 HydrophobicContact CG2-CG 4.19Å; T27-M29 PolarHBondContact O-N 3.48Å; T27-I44 PolarHBondContact N-O 3.33Å; T27-I44 PolarHBondContact O-N 3.38Å; T27-D118 HydrophobicContact CG2-CB 4.3Å; T27-W122 VanDerWaalsContact CB-NE1 3.28Å; T27-W122 PolarHBondContact OG1-NE1 3.2Å
28	V	94.5	Very high	87.5	Confident	58 Å²	58	67.3 Å²	67.3	35%	0.352	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	116.3	177.9	-173.5	0	0	0	0	109.2	R41 R42	V28-R41 HydrophobicContact CG1-CB 4.28Å; V28-R42 CarbonylContact C-O 3.58Å; V28-R42 WeakPolarHBondContact CA-O 3.32Å
29	M	95	Very high	87.2	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	158.4	179.4	-58.6	-169.6	-179.5	0	0	110.8	T27 R41 R42 I44 F96 L111 A112 A113 W122	T27-M29 HydrophobicContact CG2-CE 3.77Å; T27-M29 HydrophobicContact CG2-CG 4.19Å; T27-M29 PolarHBondContact O-N 3.48Å; M29-R41 CarbonylContact O-C 3.49Å; M29-R41 WeakPolarHBondContact O-CA 3.35Å; M29-R42 PolarHBondContact N-O 2.97Å; M29-R42 PolarHBondContact O-N 3.13Å; M29-R42 VanDerWaalsContact O-O 3.11Å; M29-I44 HydrophobicContact CB-CG1 3.88Å; M29-I44 HydrophobicContact CG-CG1 4.04Å; M29-I44 HydrophobicContact SD-CG1 4.17Å; M29-F96 HydrophobicContact CE-CE1 4.12Å; M29-F96 HydrophobicContact CE-CZ 4.2Å; M29-F96 HydrophobicContact SD-CE1 3.94Å; M29-F96 HydrophobicContact SD-CZ 3.98Å; M29-L111 HydrophobicContact SD-CB 3.96Å; M29-L111 HydrophobicContact SD-CD1 4.08Å; M29-L111 HydrophobicContact SD-CG 4.47Å; M29-A112 WeakPolarHBondContact CA-O 3.49Å; M29-A113 HydrophobicContact CE-CB 4.18Å; M29-A113 HydrophobicContact CG-CB 4.41Å; M29-A113 HydrophobicContact SD-CB 4.43Å; M29-W122 HydrophobicContact CE-CB 4.22Å; M29-W122 HydrophobicContact CE-CD2 3.6Å; M29-W122 HydrophobicContact CE-CE3 4.5Å; M29-W122 HydrophobicContact CE-CG 3.4Å; M29-W122 VanDerWaalsContact CE-CG 3.4Å; M29-W122 HydrophobicContact CE-CZ2 4.39Å; M29-W122 VanDerWaalsContact CE-NE1 3.28Å
30	T	93.8	Very high	87.1	Confident	17 Å²	17	66.1 Å²	66.1	10%	0.104	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	123.3	169.1	-53.9	0	0	0	0	108.8	F32 P39 L111 A112	T30-F32 HydrophobicContact CG2-CD2 4.27Å; T30-F32 HydrophobicContact CG2-CE2 3.64Å; T30-F32 HydrophobicContact CG2-CZ 3.96Å; T30-P39 HydrophobicContact CG2-CB 3.56Å; T30-L111 WeakPolarHBondContact O-CA 3.26Å; T30-A112 PolarHBondContact N-O 3.34Å; T30-A112 PolarHBondContact O-N 2.9Å
31	V	92.6	Very high	87	Confident	23 Å²	23	70.6 Å²	70.6	14%	0.139	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	127.5	179.1	-172.6	0	0	0	0	109.1	P39 E40 R42 I44 L109 L111	V31-P39 WeakPolarHBondContact O-CA 3.35Å; V31-E40 PolarHBondContact N-O 3.13Å; V31-E40 PolarHBondContact O-N 3.01Å; V31-R42 HydrophobicContact CG2-CB 3.75Å; V31-R42 HydrophobicContact CG2-CG 3.81Å; V31-I44 HydrophobicContact CG2-CD1 3.87Å; V31-L109 HydrophobicContact CG1-CD1 3.84Å; V31-L111 HydrophobicContact CB-CD2 4.35Å; V31-L111 HydrophobicContact CG1-CD2 4.32Å; V31-L111 HydrophobicContact CG2-CD2 3.76Å
32	F	91.1	Very high	87	Confident	5 Å²	5	63 Å²	63	2%	0.022	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	138.7	174.5	-67	-100.3	0	0	0	109.1	T30 P39 D82 F83 A88 S110 A112	T30-F32 HydrophobicContact CG2-CD2 4.27Å; T30-F32 HydrophobicContact CG2-CE2 3.64Å; T30-F32 HydrophobicContact CG2-CZ 3.96Å; F32-P39 HydrophobicContact CD1-CB 3.96Å; F32-P39 HydrophobicContact CD1-CG 3.6Å; F32-P39 HydrophobicContact CE1-CB 3.82Å; F32-P39 HydrophobicContact CE1-CG 3.38Å; F32-P39 HydrophobicContact CG-CB 4.36Å; F32-P39 HydrophobicContact CG-CG 4.45Å; F32-P39 HydrophobicContact CZ-CB 4.12Å; F32-P39 HydrophobicContact CZ-CG 4.1Å; F32-D82 HydrophobicContact CB-CB 3.91Å; F32-F83 HydrophobicContact CB-CD1 4.19Å; F32-F83 HydrophobicContact CB-CE1 4.36Å; F32-F83 AromaticContact CD1-CD1 3.96Å; F32-F83 HydrophobicContact CD1-CD1 3.96Å; F32-F83 AromaticContact CD2-CD1 3.6Å; F32-F83 HydrophobicContact CD2-CD1 3.6Å; F32-F83 AromaticContact CD2-CE1 3.31Å; F32-F83 HydrophobicContact CD2-CE1 3.31Å; F32-F83 HydrophobicContact CD2-CZ 4.4Å; F32-F83 HydrophobicContact CE1-CD1 4.25Å; F32-F83 AromaticContact CE2-CD1 3.91Å; F32-F83 HydrophobicContact CE2-CD1 3.91Å; F32-F83 AromaticContact CE2-CE1 3.63Å; F32-F83 HydrophobicContact CE2-CE1 3.63Å; F32-F83 AromaticContact CG-CD1 3.63Å; F32-F83 HydrophobicContact CG-CD1 3.63Å; F32-F83 AromaticContact CG-CE1 3.82Å; F32-F83 HydrophobicContact CG-CE1 3.82Å; F32-F83 HydrophobicContact CZ-CD1 4.22Å; F32-F83 HydrophobicContact CZ-CE1 4.37Å; F32-A88 HydrophobicContact CD1-CB 4.23Å; F32-A88 HydrophobicContact CE1-CB 3.45Å; F32-A88 VanDerWaalsContact CE1-CB 3.45Å; F32-A88 HydrophobicContact CE2-CB 4.41Å; F32-A88 HydrophobicContact CZ-CB 3.56Å; F32-S110 PolarHBondContact N-O 2.74Å; F32-A112 HydrophobicContact CE2-CB 3.83Å
33	S	82.1	Confident	87.2	Confident	47 Å²	47	63.2 Å²	63.2	33%	0.329	32%	0.323	S	S	.	.			trans	-142.9	137.6	-179.6	178.4	0	0	0	0	110.6	R35 K36	S33-R35 PolarHBondContact O-N 2.58Å; S33-R35 PolarHBondContact OG-N 2.71Å; S33-R35 VanDerWaalsContact OG-N 3.13Å; S33-K36 PolarHBondContact O-N 3.18Å
34	L	73.8	Confident	87.2	Confident	67 Å²	67	63.2 Å²	63.2	35%	0.351	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-29.3	168.3	-79.5	166.5	0	0	0	113	K81 D82 R85	L34-K81 HydrophobicContact CD1-CB 4.34Å; L34-K81 HydrophobicContact CD2-CB 4.07Å; L34-D82 VanDerWaalsContact CG-OD1 3.25Å; L34-D82 WeakPolarHBondContact CG-OD1 3.37Å; L34-D82 PolarHBondContact N-OD1 3.28Å; L34-R85 HydrophobicContact CD2-CB 4.28Å; L34-R85 PolarHBondContact O-NE 3.11Å; L34-R85 PolarHBondContact O-NH1 2.94Å; L34-R85 PolarHBondContact O-NH2 3.44Å
35	R	72.6	Confident	87.3	Confident	231 Å²	231	60.1 Å²	60.1	87%	0.872	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-24.3	-176.1	-62.6	-174.1	-173.8	176.8	2.7	113.5	S33	S33-R35 PolarHBondContact O-N 2.58Å; S33-R35 PolarHBondContact OG-N 2.71Å; S33-R35 VanDerWaalsContact OG-N 3.13Å
36	K	71.8	Confident	87.4	Confident	103 Å²	103	53.9 Å²	53.9	45%	0.448	28%	0.275	S	S	.	.			trans	-116.4	130.5	-175.6	-69.1	179.8	174.4	177.3	0	110.5	S33 N38 E40	S33-K36 PolarHBondContact O-N 3.18Å; K36-N38 VanDerWaalsContact C-N 3.34Å; K36-N38 PolarHBondContact O-N 2.78Å; K36-E40 IonicContact NZ-OE2 3.65Å; K36-E40 PolarHBondContact NZ-OE2 2.86Å
37	S	65.1	Low	87.4	Confident	88 Å²	88	53.1 Å²	53.1	62%	0.615	27%	0.267	S	S	*	.	S	Bend	trans	-69.7	-29.6	179.6	52.4	0	0	0	0	113.5
38	N	79.4	Confident	87.2	Confident	123 Å²	123	54.6 Å²	54.6	66%	0.658	27%	0.273	S	S	*	.	S	Bend	trans	-107	122.4	-178.9	-72.1	-26.2	0	0	0	110.9	K36	K36-N38 VanDerWaalsContact C-N 3.34Å; K36-N38 PolarHBondContact O-N 2.78Å
39	P	85.2	Confident	87	Confident	50 Å²	50	55 Å²	55	33%	0.325	27%	0.271	S	S	.	.			trans	-62.2	141.4	172	-19.3	31.2	0	0	0	110.9	T30 V31 F32	T30-P39 HydrophobicContact CG2-CB 3.56Å; V31-P39 WeakPolarHBondContact O-CA 3.35Å; F32-P39 HydrophobicContact CD1-CB 3.96Å; F32-P39 HydrophobicContact CD1-CG 3.6Å; F32-P39 HydrophobicContact CE1-CB 3.82Å; F32-P39 HydrophobicContact CE1-CG 3.38Å; F32-P39 HydrophobicContact CG-CB 4.36Å; F32-P39 HydrophobicContact CG-CG 4.45Å; F32-P39 HydrophobicContact CZ-CB 4.12Å; F32-P39 HydrophobicContact CZ-CG 4.1Å
40	E	89.2	Confident	86.8	Confident	60 Å²	60	55 Å²	55	28%	0.28	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	144.4	-177.8	-54	-172.2	107.6	0	0	110.8	V31 K36 R42	V31-E40 PolarHBondContact N-O 3.13Å; V31-E40 PolarHBondContact O-N 3.01Å; K36-E40 IonicContact NZ-OE2 3.65Å; K36-E40 PolarHBondContact NZ-OE2 2.86Å; E40-R42 VanDerWaalsContact CB-NH1 3.31Å; E40-R42 VanDerWaalsContact CD-NH2 3.34Å; E40-R42 IonicContact OE1-NH1 3.63Å; E40-R42 IonicContact OE1-NH2 3.5Å; E40-R42 IonicContact OE2-CZ 3.78Å; E40-R42 IonicContact OE2-NH1 3.6Å; E40-R42 IonicContact OE2-NH2 3.03Å; E40-R42 PolarHBondContact OE2-NH2 2.98Å
41	R	91.1	Very high	86.7	Confident	126 Å²	126	57 Å²	57	48%	0.475	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	135.3	170.9	-63.6	-165.6	77.3	-167.9	7.5	110.1	V28 M29 D114	V28-R41 HydrophobicContact CG1-CB 4.28Å; M29-R41 CarbonylContact O-C 3.49Å; M29-R41 WeakPolarHBondContact O-CA 3.35Å; R41-D114 IonicContact CZ-OD1 3.6Å; R41-D114 IonicContact CZ-OD2 3.88Å; R41-D114 IonicContact NH2-OD1 3.68Å; R41-D114 PolarHBondContact NH2-OD1 3.47Å; R41-D114 IonicContact NH2-OD2 3.59Å; R41-D114 PolarHBondContact NH2-OD2 3.07Å
42	R	93.2	Very high	86.8	Confident	13 Å²	13	57.2 Å²	57.2	5%	0.049	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	149.2	178.1	-65.1	-65	-174.5	-93.1	3.3	109.8	V28 M29 V31 E40 I44 W55 S56 E63	V28-R42 CarbonylContact C-O 3.58Å; V28-R42 WeakPolarHBondContact CA-O 3.32Å; M29-R42 PolarHBondContact N-O 2.97Å; M29-R42 PolarHBondContact O-N 3.13Å; M29-R42 VanDerWaalsContact O-O 3.11Å; V31-R42 HydrophobicContact CG2-CB 3.75Å; V31-R42 HydrophobicContact CG2-CG 3.81Å; E40-R42 VanDerWaalsContact CB-NH1 3.31Å; E40-R42 VanDerWaalsContact CD-NH2 3.34Å; E40-R42 IonicContact OE1-NH1 3.63Å; E40-R42 IonicContact OE1-NH2 3.5Å; E40-R42 IonicContact OE2-CZ 3.78Å; E40-R42 IonicContact OE2-NH1 3.6Å; E40-R42 IonicContact OE2-NH2 3.03Å; E40-R42 PolarHBondContact OE2-NH2 2.98Å; R42-I44 HydrophobicContact CB-CD1 4.02Å; R42-W55 HydrophobicContact CB-CB 4.35Å; R42-S56 WeakPolarHBondContact CA-O 3.29Å; R42-S56 VanDerWaalsContact CD-O 3.28Å; R42-S56 WeakPolarHBondContact CD-O 3.39Å; R42-E63 IonicContact CZ-OE1 3.87Å; R42-E63 IonicContact CZ-OE2 2.69Å; R42-E63 VanDerWaalsContact CZ-OE2 3.29Å; R42-E63 VanDerWaalsContact NE-CD 3.32Å; R42-E63 IonicContact NE-OE1 3.74Å; R42-E63 PolarHBondContact NE-OE1 3.41Å; R42-E63 IonicContact NE-OE2 3.1Å; R42-E63 PolarHBondContact NE-OE2 3.49Å; R42-E63 IonicContact NH2-OE1 3.65Å; R42-E63 PolarHBondContact NH2-OE1 2.84Å; R42-E63 IonicContact NH2-OE2 3.88Å; R42-E63 PolarHBondContact NH2-OE2 3.45Å
43	T	94.2	Very high	86.9	Confident	44 Å²	44	57 Å²	57	27%	0.27	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	118	166.6	-57.1	0	0	0	0	107.6	W55 S56	T43-W55 VanDerWaalsContact O-CA 3.3Å; T43-W55 WeakPolarHBondContact O-CA 3.38Å; T43-S56 PolarHBondContact N-O 3.45Å; T43-S56 PolarHBondContact O-N 3.07Å
44	I	95.4	Very high	87.4	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	128.7	174.7	-44.5	-57.3	0	0	0	107	G26 T27 M29 V31 R42 V53 A54 W55 L111 W122	G26-I44 CarbonylContact C-O 3.56Å; G26-I44 WeakPolarHBondContact CA-O 3.23Å; T27-I44 PolarHBondContact N-O 3.33Å; T27-I44 PolarHBondContact O-N 3.38Å; M29-I44 HydrophobicContact CB-CG1 3.88Å; M29-I44 HydrophobicContact CG-CG1 4.04Å; M29-I44 HydrophobicContact SD-CG1 4.17Å; V31-I44 HydrophobicContact CG2-CD1 3.87Å; R42-I44 HydrophobicContact CB-CD1 4.02Å; I44-V53 HydrophobicContact CG2-CG1 3.64Å; I44-A54 WeakPolarHBondContact CA-O 3.46Å; I44-W55 HydrophobicContact CD1-CB 3.52Å; I44-L111 HydrophobicContact CD1-CD2 3.96Å; I44-L111 HydrophobicContact CG1-CD1 4.45Å; I44-L111 HydrophobicContact CG1-CD2 4.11Å; I44-L111 HydrophobicContact CG2-CD1 4.38Å; I44-W122 HydrophobicContact CB-CH2 3.89Å; I44-W122 HydrophobicContact CB-CZ2 4.18Å; I44-W122 HydrophobicContact CB-CZ3 4.43Å; I44-W122 HydrophobicContact CG2-CH2 3.5Å; I44-W122 VanDerWaalsContact CG2-CH2 3.5Å; I44-W122 HydrophobicContact CG2-CZ2 4.26Å; I44-W122 HydrophobicContact CG2-CZ3 3.65Å; I44-W122 WeakPolarHBondContact O-CH2 3.41Å; I44-W122 WeakPolarHBondContact O-CZ2 3.38Å
45	Q	94.3	Very high	88.3	Confident	37 Å²	37	53.4 Å²	53.4	17%	0.173	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	153.8	-179.7	65.3	-173.9	2.3	0	0	110.8	L23 V53 A54 R157	L23-Q45 CarbonylContact O-C 3.42Å; L23-Q45 WeakPolarHBondContact O-CA 3.32Å; Q45-V53 WeakPolarHBondContact O-CA 3.48Å; Q45-A54 HydrophobicContact CG-CB 4.2Å; Q45-A54 PolarHBondContact N-O 3.04Å; Q45-A54 PolarHBondContact O-N 3.49Å; Q45-R157 VanDerWaalsContact NE2-NH2 3.11Å
46	V	94.6	Very high	89.1	Confident	2 Å²	2	42.6 Å²	42.6	1%	0.012	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	127.5	170.6	177.3	0	0	0	0	109.4	L23 E24 M48 Q52 V53 W122 L129	L23-V46 HydrophobicContact CB-CB 4.18Å; L23-V46 HydrophobicContact CB-CG2 3.83Å; L23-V46 HydrophobicContact CD2-CG2 4Å; L23-V46 HydrophobicContact CG-CG2 4.29Å; L23-V46 PolarHBondContact O-N 3.38Å; E24-V46 WeakPolarHBondContact CA-O 3.27Å; V46-M48 HydrophobicContact CG1-SD 3.71Å; V46-Q52 CarbonylContact C-O 3.56Å; V46-Q52 WeakPolarHBondContact CA-O 3.26Å; V46-V53 HydrophobicContact CG2-CG2 4.32Å; V46-W122 HydrophobicContact CG2-CH2 4.3Å; V46-W122 HydrophobicContact CG2-CZ3 4.14Å; V46-L129 HydrophobicContact CB-CD1 4.42Å; V46-L129 HydrophobicContact CG1-CD1 3.85Å; V46-L129 HydrophobicContact CG2-CD1 4.05Å
47	I	91.9	Very high	89.6	Confident	5 Å²	5	44 Å²	44	3%	0.026	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	101	170.6	-54.3	171.8	0	0	0	106.6	E49 T50 R51 Q52 A54 F65 Y151	I47-E49 VanDerWaalsContact C-N 3.33Å; I47-E49 HydrophobicContact CG2-CG 3.92Å; I47-E49 PolarHBondContact O-N 2.86Å; I47-T50 WeakPolarHBondContact CB-OG1 3.5Å; I47-T50 HydrophobicContact CG2-CG2 4.31Å; I47-T50 VanDerWaalsContact CG2-OG1 3.27Å; I47-T50 WeakPolarHBondContact CG2-OG1 3.35Å; I47-T50 PolarHBondContact O-N 3.27Å; I47-R51 WeakPolarHBondContact O-CA 3.46Å; I47-R51 PolarHBondContact O-N 3.08Å; I47-Q52 PolarHBondContact N-O 3.1Å; I47-Q52 PolarHBondContact O-N 3.17Å; I47-A54 HydrophobicContact CD1-CB 3.78Å; I47-A54 HydrophobicContact CG1-CB 4.18Å; I47-F65 HydrophobicContact CD1-CD1 4.09Å; I47-F65 HydrophobicContact CD1-CE1 3.66Å; I47-Y151 HydrophobicContact CG2-CE2 4.35Å
48	M	90.8	Very high	90	Very high	48 Å²	48	43.5 Å²	43.5	24%	0.236	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-40.3	-171.3	-68.4	-58	-152.6	0	0	113.1	K20 E24 V46 T50 R51 L129	K20-M48 HydrophobicContact CB-CE 3.36Å; K20-M48 HydrophobicContact CD-CE 4.05Å; K20-M48 HydrophobicContact CG-CE 3.71Å; K20-M48 WeakPolarHBondContact O-CE 3.37Å; E24-M48 HydrophobicContact CB-CG 4.39Å; E24-M48 HydrophobicContact CG-CG 4.3Å; V46-M48 HydrophobicContact CG1-SD 3.71Å; M48-T50 PolarHBondContact O-N 2.7Å; M48-R51 WeakPolarHBondContact O-CG 3.27Å; M48-R51 PolarHBondContact O-N 2.66Å; M48-L129 HydrophobicContact CE-CD2 4.09Å; M48-L129 HydrophobicContact SD-CD2 3.8Å
49	E	89.4	Confident	89.3	Confident	67 Å²	67	42.1 Å²	42.1	31%	0.313	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-28.7	-175.4	70.7	-166	135.6	0	0	113.4	I47 S144 R147 Y151	I47-E49 VanDerWaalsContact C-N 3.33Å; I47-E49 HydrophobicContact CG2-CG 3.92Å; I47-E49 PolarHBondContact O-N 2.86Å; E49-S144 WeakPolarHBondContact O-CA 3.4Å; E49-R147 VanDerWaalsContact CB-CD 3.49Å; E49-R147 IonicContact OE2-CZ 2.65Å; E49-R147 IonicContact OE2-NE 3.85Å; E49-R147 IonicContact OE2-NH1 2.82Å; E49-R147 PolarHBondContact OE2-NH1 2.77Å; E49-Y151 HydrophobicContact CG-CE2 4.25Å; E49-Y151 PolarHBondContact OE1-OH 3.48Å; E49-Y151 PolarHBondContact OE2-OH 3.26Å; E49-Y151 VanDerWaalsContact OE2-OH 3.07Å
50	T	90.5	Very high	88.1	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-5.3	172.6	63.1	0	0	0	0	113.5	I47 M48 Q52 S144 R147 K148 Y151	I47-T50 WeakPolarHBondContact CB-OG1 3.5Å; I47-T50 HydrophobicContact CG2-CG2 4.31Å; I47-T50 VanDerWaalsContact CG2-OG1 3.27Å; I47-T50 WeakPolarHBondContact CG2-OG1 3.35Å; I47-T50 PolarHBondContact O-N 3.27Å; M48-T50 PolarHBondContact O-N 2.7Å; T50-Q52 VanDerWaalsContact C-N 3.3Å; T50-Q52 PolarHBondContact O-N 3.3Å; T50-Q52 PolarHBondContact OG1-OE1 3.34Å; T50-S144 PolarHBondContact O-OG 3.05Å; T50-R147 HydrophobicContact CG2-CB 3.73Å; T50-K148 HydrophobicContact CG2-CG 3.99Å; T50-K148 WeakPolarHBondContact O-CE 3.18Å; T50-Y151 HydrophobicContact CG2-CD2 3.56Å; T50-Y151 HydrophobicContact CG2-CE2 3.55Å
51	R	92.4	Very high	87.4	Confident	57 Å²	57	50.4 Å²	50.4	22%	0.215	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	54	46.3	-177.7	-59.8	164.4	172.7	-159.1	0.3	112	I47 M48 L68 V133	I47-R51 WeakPolarHBondContact O-CA 3.46Å; I47-R51 PolarHBondContact O-N 3.08Å; M48-R51 WeakPolarHBondContact O-CG 3.27Å; M48-R51 PolarHBondContact O-N 2.66Å; R51-L68 HydrophobicContact CB-CD1 4.14Å; R51-L68 WeakPolarHBondContact O-CB 3.38Å; R51-L68 WeakPolarHBondContact O-CD1 3.33Å; R51-L68 WeakPolarHBondContact O-CG 3.3Å; R51-L68 PolarHBondContact O-N 3.04Å; R51-L68 VanDerWaalsContact O-N 3.14Å; R51-V133 HydrophobicContact CB-CG2 4.1Å; R51-V133 HydrophobicContact CG-CG2 4.21Å
52	Q	93.7	Very high	87	Confident	28 Å²	28	45.9 Å²	45.9	13%	0.131	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	142.3	-178.8	-73	170.9	-40.6	0	0	111.6	V46 I47 T50 L66	V46-Q52 CarbonylContact C-O 3.56Å; V46-Q52 WeakPolarHBondContact CA-O 3.26Å; I47-Q52 PolarHBondContact N-O 3.1Å; I47-Q52 PolarHBondContact O-N 3.17Å; T50-Q52 VanDerWaalsContact C-N 3.3Å; T50-Q52 PolarHBondContact O-N 3.3Å; T50-Q52 PolarHBondContact OG1-OE1 3.34Å; Q52-L66 CarbonylContact C-O 3.6Å; Q52-L66 VanDerWaalsContact CA-O 3.25Å; Q52-L66 WeakPolarHBondContact CA-O 3.37Å
53	V	95	Very high	86.6	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	125	163.3	-176.5	0	0	0	0	107.7	I44 Q45 V46 F65 L66 L68 W122 L126	I44-V53 HydrophobicContact CG2-CG1 3.64Å; Q45-V53 WeakPolarHBondContact O-CA 3.48Å; V46-V53 HydrophobicContact CG2-CG2 4.32Å; V53-F65 CarbonylContact O-C 3.43Å; V53-F65 VanDerWaalsContact O-CA 3.31Å; V53-F65 WeakPolarHBondContact O-CA 3.4Å; V53-L66 HydrophobicContact CB-CB 4.27Å; V53-L66 HydrophobicContact CB-CD2 4.28Å; V53-L66 HydrophobicContact CG2-CD2 4.11Å; V53-L66 PolarHBondContact N-O 3.41Å; V53-L66 PolarHBondContact O-N 2.93Å; V53-L68 HydrophobicContact CG2-CD2 3.75Å; V53-W122 HydrophobicContact CG1-CZ3 4.39Å; V53-L126 HydrophobicContact CG2-CD2 3.8Å
54	A	92.4	Very high	86.2	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	146.4	178.6	0	0	0	0	0	110.7	I44 Q45 I47 I62 G64 F65	I44-A54 WeakPolarHBondContact CA-O 3.46Å; Q45-A54 HydrophobicContact CG-CB 4.2Å; Q45-A54 PolarHBondContact N-O 3.04Å; Q45-A54 PolarHBondContact O-N 3.49Å; I47-A54 HydrophobicContact CD1-CB 3.78Å; I47-A54 HydrophobicContact CG1-CB 4.18Å; A54-I62 HydrophobicContact CB-CG2 4.02Å; A54-G64 WeakPolarHBondContact CA-O 3.34Å; A54-F65 HydrophobicContact CB-CD1 3.78Å; A54-F65 HydrophobicContact CB-CE1 3.98Å
55	W	92.3	Very high	86	Confident	39 Å²	39	52 Å²	52	15%	0.148	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	137.6	173.2	59	90.2	0	0	0	112.3	R42 T43 I44 E63 G64 F65 L66 L109	R42-W55 HydrophobicContact CB-CB 4.35Å; T43-W55 VanDerWaalsContact O-CA 3.3Å; T43-W55 WeakPolarHBondContact O-CA 3.38Å; I44-W55 HydrophobicContact CD1-CB 3.52Å; W55-E63 PolarHBondContact O-N 3.3Å; W55-G64 PolarHBondContact N-O 3.14Å; W55-G64 VanDerWaalsContact N-O 3.11Å; W55-F65 WeakPolarHBondContact CH2-O 3.43Å; W55-L66 HydrophobicContact CZ3-CB 3.92Å; W55-L109 HydrophobicContact CE3-CD2 4.03Å; W55-L109 HydrophobicContact CZ3-CD2 4.02Å
56	S	89.1	Confident	86	Confident	4 Å²	4	50.3 Å²	50.3	3%	0.028	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	152.5	-176.3	64.7	0	0	0	0	112.7	R42 T43 T58 K61	R42-S56 WeakPolarHBondContact CA-O 3.29Å; R42-S56 VanDerWaalsContact CD-O 3.28Å; R42-S56 WeakPolarHBondContact CD-O 3.39Å; T43-S56 PolarHBondContact N-O 3.45Å; T43-S56 PolarHBondContact O-N 3.07Å; S56-T58 VanDerWaalsContact CB-O 3.28Å; S56-T58 WeakPolarHBondContact CB-O 3.38Å; S56-T58 PolarHBondContact OG-O 2.74Å; S56-K61 WeakPolarHBondContact CB-O 3.24Å
57	K	83	Confident	85.9	Confident	133 Å²	133	51.2 Å²	51.2	58%	0.578	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.3	-33	174.1	-171.7	175.2	-178.3	174.9	0	111.9	E63	K57-E63 WeakPolarHBondContact CB-OE1 3.28Å
58	T	72.2	Confident	86	Confident	77 Å²	77	51 Å²	51	47%	0.472	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	161.6	174.1	56.3	0	0	0	0	109.1	S56 D60 K61	S56-T58 VanDerWaalsContact CB-O 3.28Å; S56-T58 WeakPolarHBondContact CB-O 3.38Å; S56-T58 PolarHBondContact OG-O 2.74Å; T58-D60 PolarHBondContact O-N 2.9Å; T58-K61 PolarHBondContact O-N 3.38Å
59	A	64.7	Low	86	Confident	95 Å²	95	51.9 Å²	51.9	79%	0.785	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-33.1	179.2	0	0	0	0	0	112.5
60	D	61.5	Low	86.2	Confident	149 Å²	149	51.8 Å²	51.8	80%	0.797	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-6.3	-170	-47.1	-43.3	0	0	0	114.5	T58	T58-D60 PolarHBondContact O-N 2.9Å
61	K	74.6	Confident	86.4	Confident	135 Å²	135	52 Å²	52	59%	0.587	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.8	107.2	-175.4	-167.3	176.3	-177.1	177.1	0	113	S56 T58	S56-K61 WeakPolarHBondContact CB-O 3.24Å; T58-K61 PolarHBondContact O-N 3.38Å
62	I	82.2	Confident	86.4	Confident	31 Å²	31	51.7 Å²	51.7	16%	0.159	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	130.7	174.4	-55.4	162.8	0	0	0	109	A54 G64 F65	A54-I62 HydrophobicContact CB-CG2 4.02Å; I62-G64 WeakPolarHBondContact CG2-O 3.09Å; I62-F65 HydrophobicContact CB-CE1 4.49Å; I62-F65 HydrophobicContact CB-CE2 4.34Å; I62-F65 HydrophobicContact CB-CZ 3.92Å; I62-F65 HydrophobicContact CD1-CE1 3.81Å; I62-F65 HydrophobicContact CD1-CZ 3.62Å; I62-F65 HydrophobicContact CG1-CZ 4.37Å; I62-F65 HydrophobicContact CG2-CD1 4.26Å; I62-F65 HydrophobicContact CG2-CD2 4.26Å; I62-F65 HydrophobicContact CG2-CE1 3.73Å; I62-F65 HydrophobicContact CG2-CE2 3.72Å; I62-F65 HydrophobicContact CG2-CZ 3.44Å; I62-F65 VanDerWaalsContact CG2-CZ 3.44Å
63	E	84.1	Confident	86.4	Confident	90 Å²	90	51 Å²	51	42%	0.421	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	-26.8	-179.5	-68.7	-172.1	172.3	0	0	112.6	R42 W55 K57	R42-E63 IonicContact CZ-OE1 3.87Å; R42-E63 IonicContact CZ-OE2 2.69Å; R42-E63 VanDerWaalsContact CZ-OE2 3.29Å; R42-E63 VanDerWaalsContact NE-CD 3.32Å; R42-E63 IonicContact NE-OE1 3.74Å; R42-E63 PolarHBondContact NE-OE1 3.41Å; R42-E63 IonicContact NE-OE2 3.1Å; R42-E63 PolarHBondContact NE-OE2 3.49Å; R42-E63 IonicContact NH2-OE1 3.65Å; R42-E63 PolarHBondContact NH2-OE1 2.84Å; R42-E63 IonicContact NH2-OE2 3.88Å; R42-E63 PolarHBondContact NH2-OE2 3.45Å; W55-E63 PolarHBondContact O-N 3.3Å; K57-E63 WeakPolarHBondContact CB-OE1 3.28Å
64	G	86.9	Confident	86.3	Confident	12 Å²	12	52.4 Å²	52.4	12%	0.124	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.4	168.2	177.5	0	0	0	0	0	113.8	A54 W55 I62	A54-G64 WeakPolarHBondContact CA-O 3.34Å; W55-G64 PolarHBondContact N-O 3.14Å; W55-G64 VanDerWaalsContact N-O 3.11Å; I62-G64 WeakPolarHBondContact CG2-O 3.09Å
65	F	90.5	Very high	86.3	Confident	84 Å²	84	53.4 Å²	53.4	37%	0.368	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	152.7	-176.9	-57	-92.9	0	0	0	110.1	I47 V53 A54 W55 I62	I47-F65 HydrophobicContact CD1-CD1 4.09Å; I47-F65 HydrophobicContact CD1-CE1 3.66Å; V53-F65 CarbonylContact O-C 3.43Å; V53-F65 VanDerWaalsContact O-CA 3.31Å; V53-F65 WeakPolarHBondContact O-CA 3.4Å; A54-F65 HydrophobicContact CB-CD1 3.78Å; A54-F65 HydrophobicContact CB-CE1 3.98Å; W55-F65 WeakPolarHBondContact CH2-O 3.43Å; I62-F65 HydrophobicContact CB-CE1 4.49Å; I62-F65 HydrophobicContact CB-CE2 4.34Å; I62-F65 HydrophobicContact CB-CZ 3.92Å; I62-F65 HydrophobicContact CD1-CE1 3.81Å; I62-F65 HydrophobicContact CD1-CZ 3.62Å; I62-F65 HydrophobicContact CG1-CZ 4.37Å; I62-F65 HydrophobicContact CG2-CD1 4.26Å; I62-F65 HydrophobicContact CG2-CD2 4.26Å; I62-F65 HydrophobicContact CG2-CE1 3.73Å; I62-F65 HydrophobicContact CG2-CE2 3.72Å; I62-F65 HydrophobicContact CG2-CZ 3.44Å; I62-F65 VanDerWaalsContact CG2-CZ 3.44Å
66	L	93.7	Very high	86.4	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	126.7	171.6	171.5	165.4	0	0	0	107.3	Q52 V53 W55 I71 I98 Y100 L109	Q52-L66 CarbonylContact C-O 3.6Å; Q52-L66 VanDerWaalsContact CA-O 3.25Å; Q52-L66 WeakPolarHBondContact CA-O 3.37Å; V53-L66 HydrophobicContact CB-CB 4.27Å; V53-L66 HydrophobicContact CB-CD2 4.28Å; V53-L66 HydrophobicContact CG2-CD2 4.11Å; V53-L66 PolarHBondContact N-O 3.41Å; V53-L66 PolarHBondContact O-N 2.93Å; W55-L66 HydrophobicContact CZ3-CB 3.92Å; L66-I71 HydrophobicContact CD2-CD1 3.98Å; L66-I71 HydrophobicContact CD2-CG1 3.77Å; L66-I98 HydrophobicContact CD1-CB 4.34Å; L66-I98 HydrophobicContact CD1-CG2 3.82Å; L66-Y100 HydrophobicContact CB-CD2 4.41Å; L66-Y100 HydrophobicContact CB-CE2 4.22Å; L66-Y100 HydrophobicContact CD1-CD1 3.29Å; L66-Y100 HydrophobicContact CD1-CD2 3.83Å; L66-Y100 HydrophobicContact CD1-CE1 3.55Å; L66-Y100 HydrophobicContact CD1-CE2 4.04Å; L66-Y100 HydrophobicContact CD1-CG 3.43Å; L66-Y100 VanDerWaalsContact CD1-CG 3.43Å; L66-Y100 HydrophobicContact CG-CD1 4.1Å; L66-Y100 HydrophobicContact CG-CD2 3.66Å; L66-Y100 HydrophobicContact CG-CE1 4.36Å; L66-Y100 HydrophobicContact CG-CE2 3.93Å; L66-Y100 HydrophobicContact CG-CG 3.73Å; L66-L109 HydrophobicContact CD1-CB 4.39Å; L66-L109 HydrophobicContact CD1-CD2 4.19Å
67	D	93.2	Very high	86.5	Confident	20 Å²	20	55.3 Å²	55.3	11%	0.107	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	129.9	175.9	-161.4	-47.4	0	0	0	110.8	M69 E70 K148	D67-M69 PolarHBondContact O-N 3.05Å; D67-M69 WeakPolarHBondContact OD1-CB 3.18Å; D67-M69 PolarHBondContact OD1-N 3.47Å; D67-E70 HydrophobicContact CB-CB 4.38Å; D67-E70 HydrophobicContact CB-CG 4.02Å; D67-E70 WeakPolarHBondContact O-CB 3.37Å; D67-E70 PolarHBondContact O-N 3.03Å; D67-K148 IonicContact OD1-NZ 3.12Å; D67-K148 WeakPolarHBondContact OD2-CE 3.28Å; D67-K148 IonicContact OD2-NZ 3.23Å; D67-K148 PolarHBondContact OD2-NZ 3.03Å
68	L	93.9	Very high	86.7	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.005	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-62.1	-27.4	179.2	-69.3	174.2	0	0	0	112.5	R51 V53 E70 I71 L126 L129 V133	R51-L68 HydrophobicContact CB-CD1 4.14Å; R51-L68 WeakPolarHBondContact O-CB 3.38Å; R51-L68 WeakPolarHBondContact O-CD1 3.33Å; R51-L68 WeakPolarHBondContact O-CG 3.3Å; R51-L68 PolarHBondContact O-N 3.04Å; R51-L68 VanDerWaalsContact O-N 3.14Å; V53-L68 HydrophobicContact CG2-CD2 3.75Å; L68-E70 PolarHBondContact O-N 2.83Å; L68-I71 HydrophobicContact CD2-CD1 3.6Å; L68-I71 PolarHBondContact O-N 3.43Å; L68-L126 HydrophobicContact CD2-CD2 4.03Å; L68-L129 HydrophobicContact CD1-CB 3.9Å; L68-L129 HydrophobicContact CD1-CD1 4.37Å; L68-V133 HydrophobicContact CB-CG1 4.31Å; L68-V133 HydrophobicContact CB-CG2 3.92Å; L68-V133 HydrophobicContact CD1-CG2 4Å
69	M	90.9	Very high	87.1	Confident	67 Å²	67	51.9 Å²	51.9	33%	0.33	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-66.1	-24.6	173.9	-73.8	-69.3	-78.5	0	0	112.8	D67 I71 V133	D67-M69 PolarHBondContact O-N 3.05Å; D67-M69 WeakPolarHBondContact OD1-CB 3.18Å; D67-M69 PolarHBondContact OD1-N 3.47Å; M69-I71 VanDerWaalsContact C-N 3.34Å; M69-V133 HydrophobicContact CB-CG1 4.35Å; M69-V133 HydrophobicContact CG-CG1 3.42Å; M69-V133 VanDerWaalsContact CG-CG1 3.42Å; M69-V133 HydrophobicContact SD-CB 4.44Å; M69-V133 HydrophobicContact SD-CG1 3.1Å; M69-V133 WeakPolarHBondContact SD-CG1 3.3Å
70	E	93.9	Very high	88.1	Confident	65 Å²	65	47.6 Å²	47.6	30%	0.304	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-84.3	-8.6	-178.8	-70.2	-174.7	-177	0	0	113.3	D67 L68 K72 Y100 G101 T102	D67-E70 HydrophobicContact CB-CB 4.38Å; D67-E70 HydrophobicContact CB-CG 4.02Å; D67-E70 WeakPolarHBondContact O-CB 3.37Å; D67-E70 PolarHBondContact O-N 3.03Å; L68-E70 PolarHBondContact O-N 2.83Å; E70-K72 PolarHBondContact O-N 3.37Å; E70-Y100 CarbonylContact O-C 3.59Å; E70-Y100 WeakPolarHBondContact O-CA 3.46Å; E70-Y100 WeakPolarHBondContact O-CB 3.49Å; E70-G101 PolarHBondContact O-N 3.22Å; E70-T102 HydrophobicContact CG-CG2 4.11Å
71	I	94.8	Very high	89.2	Confident	4 Å²	4	44 Å²	44	2%	0.021	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	126.6	178.1	-64	-179.9	0	0	0	109.8	L66 L68 M69 I74 I98 Y130	L66-I71 HydrophobicContact CD2-CD1 3.98Å; L66-I71 HydrophobicContact CD2-CG1 3.77Å; L68-I71 HydrophobicContact CD2-CD1 3.6Å; L68-I71 PolarHBondContact O-N 3.43Å; M69-I71 VanDerWaalsContact C-N 3.34Å; I71-I74 HydrophobicContact CD1-CD1 4.49Å; I71-I74 HydrophobicContact CG2-CD1 4.17Å; I71-I74 HydrophobicContact CG2-CG1 3.75Å; I71-I98 HydrophobicContact CD1-CG2 3.99Å; I71-I98 HydrophobicContact CG1-CG2 3.86Å; I71-I98 HydrophobicContact CG2-CG2 4.31Å; I71-Y130 HydrophobicContact CB-CD2 4.05Å; I71-Y130 HydrophobicContact CB-CE2 4.09Å; I71-Y130 HydrophobicContact CG2-CD2 4.37Å; I71-Y130 HydrophobicContact CG2-CE2 4.44Å; I71-Y130 VanDerWaalsContact O-CE2 3.24Å; I71-Y130 WeakPolarHBondContact O-CE2 3.24Å; I71-Y130 PolarHBondContact O-OH 2.93Å
72	K	93	Very high	89.8	Confident	51 Å²	51	37.7 Å²	37.7	22%	0.222	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	-28.2	174.2	-54.1	-56.6	168.6	-172.1	0	112.3	E70 F99 G101 L106 E1173	E70-K72 PolarHBondContact O-N 3.37Å; K72-F99 PolarHBondContact N-O 2.88Å; K72-G101 WeakPolarHBondContact CE-O 3.35Å; K72-L106 HydrophobicContact CB-CD1 3.77Å; K72-L106 HydrophobicContact CG-CD1 4.02Å; K72-L106 HydrophobicContact CG-CD2 3.87Å; K72-E1173 WeakPolarHBondContact CE-OE2 3.34Å; K72-E1173 IonicContact NZ-OE1 3.98Å; K72-E1173 IonicContact NZ-OE2 3.65Å; K72-E1173 PolarHBondContact NZ-OE2 2.69Å
73	E	92.8	Very high	90.1	Very high	14 Å²	14	36.5 Å²	36.5	7%	0.065	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	144.2	178.1	167.2	172.8	-162.8	0	0	111.3	R75 F99 R350 H392	E73-R75 HydrophobicContact CG-CB 4.34Å; E73-R75 IonicContact OE1-CZ 2.73Å; E73-R75 IonicContact OE1-NE 3.54Å; E73-R75 PolarHBondContact OE1-NE 2.88Å; E73-R75 IonicContact OE1-NH2 3.48Å; E73-R75 PolarHBondContact OE1-NH2 3.44Å; E73-R75 IonicContact OE2-CZ 2.73Å; E73-R75 IonicContact OE2-NE 3.32Å; E73-R75 IonicContact OE2-NH2 3.46Å; E73-R75 PolarHBondContact OE2-NH2 3.35Å; E73-F99 HydrophobicContact CB-CB 4.09Å; E73-F99 HydrophobicContact CB-CD2 4.36Å; E73-F99 HydrophobicContact CG-CD2 4.09Å; E73-F99 PolarHBondContact N-O 3.36Å; E73-F99 PolarHBondContact O-N 3.02Å; E73-R350 VanDerWaalsContact CD-CZ 3.41Å; E73-R350 VanDerWaalsContact CD-NE 3.34Å; E73-R350 IonicContact OE1-CZ 3.37Å; E73-R350 IonicContact OE1-NE 3.16Å; E73-R350 IonicContact OE1-NH2 3.13Å; E73-R350 PolarHBondContact OE1-NH2 2.95Å; E73-R350 IonicContact OE2-CZ 2.98Å; E73-R350 IonicContact OE2-NE 3.82Å; E73-R350 PolarHBondContact OE2-NE 2.81Å; E73-R350 IonicContact OE2-NH2 3.84Å; E73-R350 PolarHBondContact OE2-NH2 2.88Å; E73-H392 IonicContact OE1-CE1 3.26Å; E73-H392 PolarHBondContact OE1-CE1 3.03Å; E73-H392 VanDerWaalsContact OE1-CE1 3.26Å
74	I	93.2	Very high	90	Very high	28 Å²	28	39.2 Å²	39.2	14%	0.144	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	115.2	167.5	-54.3	170.4	0	0	0	107.1	I71 F96 L123 L126	I71-I74 HydrophobicContact CD1-CD1 4.49Å; I71-I74 HydrophobicContact CG2-CD1 4.17Å; I71-I74 HydrophobicContact CG2-CG1 3.75Å; I74-F96 HydrophobicContact CG2-CD2 4.38Å; I74-L123 HydrophobicContact CG2-CD2 3.48Å; I74-L123 VanDerWaalsContact CG2-CD2 3.48Å; I74-L126 HydrophobicContact CD1-CB 3.53Å; I74-L126 HydrophobicContact CD1-CD1 4.28Å
75	R	92.4	Very high	89.7	Confident	22 Å²	22	45.6 Å²	45.6	8%	0.083	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	118.4	-172.9	-163.1	-179.2	-63.8	160.3	2.3	110.4	E73 N79 F96 T97 F99 E343	E73-R75 HydrophobicContact CG-CB 4.34Å; E73-R75 IonicContact OE1-CZ 2.73Å; E73-R75 IonicContact OE1-NE 3.54Å; E73-R75 PolarHBondContact OE1-NE 2.88Å; E73-R75 IonicContact OE1-NH2 3.48Å; E73-R75 PolarHBondContact OE1-NH2 3.44Å; E73-R75 IonicContact OE2-CZ 2.73Å; E73-R75 IonicContact OE2-NE 3.32Å; E73-R75 IonicContact OE2-NH2 3.46Å; E73-R75 PolarHBondContact OE2-NH2 3.35Å; R75-N79 HydrophobicContact CG-CB 4.44Å; R75-N79 PolarHBondContact NH1-O 2.66Å; R75-F96 CarbonylContact O-C 3.51Å; R75-F96 VanDerWaalsContact O-CA 3.24Å; R75-F96 WeakPolarHBondContact O-CA 3.48Å; R75-F96 WeakPolarHBondContact O-CB 3.48Å; R75-T97 PolarHBondContact N-O 3.33Å; R75-T97 PolarHBondContact O-N 3.3Å; R75-F99 HydrophobicContact CB-CD2 4.45Å; R75-F99 HydrophobicContact CB-CE2 3.97Å; R75-E343 IonicContact CZ-OE1 3.99Å; R75-E343 IonicContact CZ-OE2 3.74Å; R75-E343 IonicContact NH1-OE1 3.73Å; R75-E343 PolarHBondContact NH1-OE1 2.87Å; R75-E343 IonicContact NH1-OE2 3.81Å; R75-E343 IonicContact NH2-OE1 3.12Å; R75-E343 IonicContact NH2-OE2 2.74Å; R75-E343 PolarHBondContact NH2-OE2 3.25Å
76	P	93.1	Very high	89	Confident	78 Å²	78	42.4 Å²	42.4	51%	0.506	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	151.8	172.3	29.9	-33.7	0	0	0	110.9	N79 L123	P76-N79 PolarHBondContact O-ND2 3.29Å; P76-L123 HydrophobicContact CB-CD1 3.92Å
77	G	91.2	Very high	88.3	Confident	5 Å²	5	50.6 Å²	50.6	5%	0.052	24%	0.242	C	C	.	.	S	Bend	trans	94.8	-157.8	179	0	0	0	0	0	114	C95 F96	G77-C95 WeakPolarHBondContact CA-O 3.25Å; G77-C95 PolarHBondContact N-O 3.26Å; G77-C95 CarbonylContact O-C 3.52Å; G77-C95 VanDerWaalsContact O-C 3.28Å; G77-C95 VanDerWaalsContact O-CB 3.24Å; G77-C95 WeakPolarHBondContact O-CB 3.16Å; G77-F96 PolarHBondContact O-N 2.94Å
78	K	88	Confident	87.7	Confident	54 Å²	54	50.4 Å²	50.4	24%	0.235	24%	0.243	C	C	.	.	S	Bend	trans	-110.8	28.2	-174.9	-67.7	-176.7	180	178.3	0	113.8	S80 F83 A88 Q90 C95	K78-S80 PolarHBondContact O-N 3.08Å; K78-F83 VanDerWaalsContact CA-CD2 3.44Å; K78-F83 HydrophobicContact CB-CB 4.1Å; K78-F83 HydrophobicContact CB-CD2 3.94Å; K78-F83 HydrophobicContact CB-CG 4.06Å; K78-F83 HydrophobicContact CG-CD1 4.44Å; K78-F83 HydrophobicContact CG-CD2 4.29Å; K78-F83 HydrophobicContact CG-CG 4.19Å; K78-A88 HydrophobicContact CD-CB 4.31Å; K78-A88 PolarHBondContact NZ-O 3.5Å; K78-Q90 WeakPolarHBondContact CE-O 3.37Å; K78-Q90 PolarHBondContact NZ-O 2.86Å; K78-C95 HydrophobicContact CG-CB 3.76Å
79	N	80.4	Confident	87.2	Confident	84 Å²	84	60.1 Å²	60.1	45%	0.449	29%	0.285	S	S	.	.			trans	-85.7	53.7	-167.3	-57.9	-43.9	0	0	0	111.4	R75 P76	R75-N79 HydrophobicContact CG-CB 4.44Å; R75-N79 PolarHBondContact NH1-O 2.66Å; P76-N79 PolarHBondContact O-ND2 3.29Å
80	S	85.9	Confident	87	Confident	5 Å²	5	60 Å²	60	4%	0.035	28%	0.284	C	S	.	.	S	Bend	trans	-144.8	150.1	176.6	80.5	0	0	0	0	111.4	K78 D82 F83 T97 S110	K78-S80 PolarHBondContact O-N 3.08Å; S80-D82 PolarHBondContact O-N 3.39Å; S80-F83 PolarHBondContact O-N 3.42Å; S80-F83 VanDerWaalsContact O-N 3.17Å; S80-F83 WeakPolarHBondContact OG-CD2 3.27Å; S80-T97 PolarHBondContact OG-OG1 2.8Å; S80-S110 PolarHBondContact OG-OG 3.45Å
81	K	84.4	Confident	86.7	Confident	72 Å²	72	63.6 Å²	63.6	31%	0.313	30%	0.299	S	S	.	.	H	α-helix	trans	-61.5	-23.8	177	-68.4	179.6	175.2	168.8	0	112.9	L34 E84 R85 E339	L34-K81 HydrophobicContact CD1-CB 4.34Å; L34-K81 HydrophobicContact CD2-CB 4.07Å; K81-E84 PolarHBondContact O-N 2.76Å; K81-R85 WeakPolarHBondContact O-CB 3.42Å; K81-R85 PolarHBondContact O-N 3.08Å; K81-E339 IonicContact NZ-OE1 3.88Å; K81-E339 PolarHBondContact NZ-OE1 3.25Å
82	D	86.4	Confident	86.4	Confident	3 Å²	3	68.9 Å²	68.9	2%	0.016	32%	0.323	C	S	.	.	H	α-helix	trans	-61.4	-43.6	176	-62.2	-51.4	0	0	0	111.5	F32 L34 S80 G86 T108 S110	F32-D82 HydrophobicContact CB-CB 3.91Å; L34-D82 VanDerWaalsContact CG-OD1 3.25Å; L34-D82 WeakPolarHBondContact CG-OD1 3.37Å; L34-D82 PolarHBondContact N-OD1 3.28Å; S80-D82 PolarHBondContact O-N 3.39Å; D82-G86 PolarHBondContact O-N 3.44Å; D82-T108 VanDerWaalsContact OD2-CB 3.23Å; D82-T108 WeakPolarHBondContact OD2-CB 3.44Å; D82-T108 PolarHBondContact OD2-OG1 2.81Å; D82-S110 WeakPolarHBondContact CB-OG 3.45Å; D82-S110 WeakPolarHBondContact OD2-CB 3.48Å; D82-S110 PolarHBondContact OD2-OG 3.23Å
83	F	88.4	Confident	86.3	Confident	6 Å²	6	71.2 Å²	71.2	3%	0.026	34%	0.335	C	S	.	.	H	α-helix	trans	-71.9	-34.7	-179.2	-71.8	-61.8	0	0	0	112.5	F32 K78 S80 K87 A88 C95 T97 L111	F32-F83 HydrophobicContact CB-CD1 4.19Å; F32-F83 HydrophobicContact CB-CE1 4.36Å; F32-F83 AromaticContact CD1-CD1 3.96Å; F32-F83 HydrophobicContact CD1-CD1 3.96Å; F32-F83 AromaticContact CD2-CD1 3.6Å; F32-F83 HydrophobicContact CD2-CD1 3.6Å; F32-F83 AromaticContact CD2-CE1 3.31Å; F32-F83 HydrophobicContact CD2-CE1 3.31Å; F32-F83 HydrophobicContact CD2-CZ 4.4Å; F32-F83 HydrophobicContact CE1-CD1 4.25Å; F32-F83 AromaticContact CE2-CD1 3.91Å; F32-F83 HydrophobicContact CE2-CD1 3.91Å; F32-F83 AromaticContact CE2-CE1 3.63Å; F32-F83 HydrophobicContact CE2-CE1 3.63Å; F32-F83 AromaticContact CG-CD1 3.63Å; F32-F83 HydrophobicContact CG-CD1 3.63Å; F32-F83 AromaticContact CG-CE1 3.82Å; F32-F83 HydrophobicContact CG-CE1 3.82Å; F32-F83 HydrophobicContact CZ-CD1 4.22Å; F32-F83 HydrophobicContact CZ-CE1 4.37Å; K78-F83 VanDerWaalsContact CA-CD2 3.44Å; K78-F83 HydrophobicContact CB-CB 4.1Å; K78-F83 HydrophobicContact CB-CD2 3.94Å; K78-F83 HydrophobicContact CB-CG 4.06Å; K78-F83 HydrophobicContact CG-CD1 4.44Å; K78-F83 HydrophobicContact CG-CD2 4.29Å; K78-F83 HydrophobicContact CG-CG 4.19Å; S80-F83 PolarHBondContact O-N 3.42Å; S80-F83 VanDerWaalsContact O-N 3.17Å; S80-F83 WeakPolarHBondContact OG-CD2 3.27Å; F83-K87 PolarHBondContact O-N 2.92Å; F83-K87 VanDerWaalsContact O-N 3.11Å; F83-A88 HydrophobicContact CB-CB 4.16Å; F83-A88 HydrophobicContact CD1-CB 3.68Å; F83-A88 HydrophobicContact CG-CB 4.36Å; F83-A88 PolarHBondContact O-N 3.47Å; F83-A88 VanDerWaalsContact O-N 3.12Å; F83-C95 HydrophobicContact CE1-CB 4.2Å; F83-C95 HydrophobicContact CE2-CB 4.31Å; F83-C95 HydrophobicContact CZ-CB 3.79Å; F83-T97 VanDerWaalsContact CE2-OG1 3.3Å; F83-T97 WeakPolarHBondContact CE2-OG1 3.49Å; F83-L111 WeakPolarHBondContact CZ-O 3.47Å
84	E	82.3	Confident	86.4	Confident	147 Å²	147	72.1 Å²	72.1	69%	0.687	34%	0.339	S	S	*	.	H	α-helix	trans	-64	-50.7	174.6	-65.3	-177.3	174.7	0	0	110.9	K81 K87	K81-E84 PolarHBondContact O-N 2.76Å; E84-K87 PolarHBondContact O-N 2.87Å
85	R	80.3	Confident	86.5	Confident	146 Å²	146	70.9 Å²	70.9	55%	0.551	33%	0.333	S	S	*	.	H	α-helix	trans	-64.3	-43.6	179.2	-174.9	174	177.5	162.6	-6.2	112	L34 K81 K87	L34-R85 HydrophobicContact CD2-CB 4.28Å; L34-R85 PolarHBondContact O-NE 3.11Å; L34-R85 PolarHBondContact O-NH1 2.94Å; L34-R85 PolarHBondContact O-NH2 3.44Å; K81-R85 WeakPolarHBondContact O-CB 3.42Å; K81-R85 PolarHBondContact O-N 3.08Å; R85-K87 PolarHBondContact O-N 3.18Å
86	G	77.3	Confident	86.7	Confident	17 Å²	17	69.8 Å²	69.8	18%	0.175	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-0.1	178.6	0	0	0	0	0	114.7	D82 A88	D82-G86 PolarHBondContact O-N 3.44Å; G86-A88 VanDerWaalsContact C-N 3.31Å; G86-A88 PolarHBondContact O-N 3.35Å
87	K	79.2	Confident	86.8	Confident	174 Å²	174	66.1 Å²	66.1	76%	0.757	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.7	51.8	-179.2	-62.4	-177.9	-179.6	178.1	0	112.4	F83 E84 R85 K89	F83-K87 PolarHBondContact O-N 2.92Å; F83-K87 VanDerWaalsContact O-N 3.11Å; E84-K87 PolarHBondContact O-N 2.87Å; R85-K87 PolarHBondContact O-N 3.18Å; K87-K89 PolarHBondContact O-N 2.95Å
88	A	80.5	Confident	87	Confident	16 Å²	16	65.9 Å²	65.9	13%	0.132	30%	0.302	C	S	.	.			trans	-57.8	120	-172.9	0	0	0	0	0	112.5	F32 K78 F83 G86	F32-A88 HydrophobicContact CD1-CB 4.23Å; F32-A88 HydrophobicContact CE1-CB 3.45Å; F32-A88 VanDerWaalsContact CE1-CB 3.45Å; F32-A88 HydrophobicContact CE2-CB 4.41Å; F32-A88 HydrophobicContact CZ-CB 3.56Å; K78-A88 HydrophobicContact CD-CB 4.31Å; K78-A88 PolarHBondContact NZ-O 3.5Å; F83-A88 HydrophobicContact CB-CB 4.16Å; F83-A88 HydrophobicContact CD1-CB 3.68Å; F83-A88 HydrophobicContact CG-CB 4.36Å; F83-A88 PolarHBondContact O-N 3.47Å; F83-A88 VanDerWaalsContact O-N 3.12Å; G86-A88 VanDerWaalsContact C-N 3.31Å; G86-A88 PolarHBondContact O-N 3.35Å
89	K	83.6	Confident	87.3	Confident	205 Å²	205	63.6 Å²	63.6	89%	0.891	29%	0.293	S	S	*	.			trans	-89.6	-11.1	179.8	-64	-176.1	-178.5	178.2	0	113.9	K87	K87-K89 PolarHBondContact O-N 2.95Å
90	Q	86.2	Confident	88	Confident	65 Å²	65	61.1 Å²	61.1	30%	0.304	28%	0.277	S	S	.	.	S	Bend	trans	-63.2	162.6	-177	-70	79	-3.5	0	0	111.6	K78 A112	K78-Q90 WeakPolarHBondContact CE-O 3.37Å; K78-Q90 PolarHBondContact NZ-O 2.86Å; Q90-A112 HydrophobicContact CB-CB 4.18Å; Q90-A112 HydrophobicContact CG-CB 3.9Å
91	K	86.9	Confident	88.4	Confident	140 Å²	140	61 Å²	61	61%	0.609	28%	0.277	S	S	*	.			trans	-75.4	143.9	174.8	-66	-178.6	-179.3	178	0	109.7	Q93 H94	K91-Q93 VanDerWaalsContact C-N 3.26Å; K91-Q93 HydrophobicContact CB-CG 3.94Å; K91-Q93 PolarHBondContact O-N 2.85Å; K91-H94 WeakPolarHBondContact O-CB 3.4Å; K91-H94 PolarHBondContact O-N 2.78Å
92	E	88.8	Confident	88.8	Confident	114 Å²	114	60.1 Å²	60.1	53%	0.533	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-55.4	-40.6	-178.4	-173.4	179.4	178.5	0	0	112.9	H94 C95	E92-H94 PolarHBondContact O-N 3.22Å; E92-C95 PolarHBondContact O-N 3.46Å
93	Q	91.4	Very high	89.2	Confident	100 Å²	100	65.2 Å²	65.2	47%	0.467	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-63.7	-8.1	175.6	53.9	166.9	39.6	0	0	115.3	K91 K116	K91-Q93 VanDerWaalsContact C-N 3.26Å; K91-Q93 HydrophobicContact CB-CG 3.94Å; K91-Q93 PolarHBondContact O-N 2.85Å; Q93-K116 HydrophobicContact CB-CD 4.34Å; Q93-K116 HydrophobicContact CB-CG 4.21Å
94	H	94.2	Very high	89.5	Confident	33 Å²	33	65.3 Å²	65.3	15%	0.153	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-101.8	-1.9	174.3	-61.1	-167.3	0	0	0	111.7	K91 E92 A112 A113 D114 K116	K91-H94 WeakPolarHBondContact O-CB 3.4Å; K91-H94 PolarHBondContact O-N 2.78Å; E92-H94 PolarHBondContact O-N 3.22Å; H94-A112 CarbonylContact O-C 3.59Å; H94-A112 WeakPolarHBondContact O-CA 3.24Å; H94-A113 WeakPolarHBondContact CB-O 3.38Å; H94-A113 PolarHBondContact O-N 3.1Å; H94-D114 PolarHBondContact CE1-O 3.39Å; H94-D114 PolarHBondContact ND1-O 3.38Å; H94-K116 PolarHBondContact CD2-N 2.85Å; H94-K116 PolarHBondContact NE2-N 3.41Å
95	C	95.2	Very high	90	Very high	2 Å²	2	62 Å²	62	1%	0.014	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	148.3	-172.3	-62.5	0	0	0	0	110.9	G77 K78 F83 E92 L111	G77-C95 WeakPolarHBondContact CA-O 3.25Å; G77-C95 PolarHBondContact N-O 3.26Å; G77-C95 CarbonylContact O-C 3.52Å; G77-C95 VanDerWaalsContact O-C 3.28Å; G77-C95 VanDerWaalsContact O-CB 3.24Å; G77-C95 WeakPolarHBondContact O-CB 3.16Å; K78-C95 HydrophobicContact CG-CB 3.76Å; F83-C95 HydrophobicContact CE1-CB 4.2Å; F83-C95 HydrophobicContact CE2-CB 4.31Å; F83-C95 HydrophobicContact CZ-CB 3.79Å; E92-C95 PolarHBondContact O-N 3.46Å; C95-L111 VanDerWaalsContact CA-O 3.27Å; C95-L111 WeakPolarHBondContact CA-O 3.46Å
96	F	95.9	Very high	90.7	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	161.4	167	63.9	-81.3	0	0	0	110.1	M29 I74 R75 G77 I98 L111 A119 W122 L123 L126	M29-F96 HydrophobicContact CE-CE1 4.12Å; M29-F96 HydrophobicContact CE-CZ 4.2Å; M29-F96 HydrophobicContact SD-CE1 3.94Å; M29-F96 HydrophobicContact SD-CZ 3.98Å; I74-F96 HydrophobicContact CG2-CD2 4.38Å; R75-F96 CarbonylContact O-C 3.51Å; R75-F96 VanDerWaalsContact O-CA 3.24Å; R75-F96 WeakPolarHBondContact O-CA 3.48Å; R75-F96 WeakPolarHBondContact O-CB 3.48Å; G77-F96 PolarHBondContact O-N 2.94Å; F96-I98 HydrophobicContact CD2-CG1 4.27Å; F96-I98 HydrophobicContact CE2-CD1 4.24Å; F96-I98 HydrophobicContact CE2-CG1 4.09Å; F96-L111 HydrophobicContact CD1-CB 4.48Å; F96-L111 HydrophobicContact CE1-CB 4.07Å; F96-L111 HydrophobicContact CE1-CD1 4.48Å; F96-L111 HydrophobicContact CE2-CB 4.34Å; F96-L111 HydrophobicContact CE2-CD1 3.71Å; F96-L111 HydrophobicContact CZ-CB 3.99Å; F96-L111 HydrophobicContact CZ-CD1 3.6Å; F96-L111 HydrophobicContact CZ-CG 4.41Å; F96-L111 PolarHBondContact N-O 3.29Å; F96-L111 PolarHBondContact O-N 3.47Å; F96-A119 HydrophobicContact CD1-CB 4.4Å; F96-W122 HydrophobicContact CE1-CB 4.06Å; F96-W122 HydrophobicContact CZ-CB 3.78Å; F96-W122 HydrophobicContact CZ-CE3 4.49Å; F96-W122 HydrophobicContact CZ-CG 4.31Å; F96-L123 HydrophobicContact CB-CD2 3.72Å; F96-L123 HydrophobicContact CB-CG 4.29Å; F96-L123 HydrophobicContact CD2-CD2 4.13Å; F96-L123 HydrophobicContact CG-CD2 3.97Å; F96-L123 HydrophobicContact CG-CG 4.32Å; F96-L126 HydrophobicContact CE2-CD1 4Å
97	T	95.3	Very high	91.4	Very high	1 Å²	1	60 Å²	60	1%	0.006	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	134.2	177	-61.1	0	0	0	0	110.1	R75 S80 F83 F99 T108 L109 S110	R75-T97 PolarHBondContact N-O 3.33Å; R75-T97 PolarHBondContact O-N 3.3Å; S80-T97 PolarHBondContact OG-OG1 2.8Å; F83-T97 VanDerWaalsContact CE2-OG1 3.3Å; F83-T97 WeakPolarHBondContact CE2-OG1 3.49Å; T97-F99 HydrophobicContact CG2-CD2 3.86Å; T97-F99 HydrophobicContact CG2-CE2 3.49Å; T97-F99 VanDerWaalsContact CG2-CE2 3.49Å; T97-F99 HydrophobicContact CG2-CZ 3.87Å; T97-T108 HydrophobicContact CG2-CG2 4.22Å; T97-L109 WeakPolarHBondContact CA-O 3.47Å; T97-S110 WeakPolarHBondContact CG2-OG 3.33Å; T97-S110 PolarHBondContact OG1-OG 2.55Å
98	I	95.4	Very high	92.1	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	120.2	169.9	-50.2	175.7	0	0	0	107.8	L66 I71 F96 T108 L109 L111 L126	L66-I98 HydrophobicContact CD1-CB 4.34Å; L66-I98 HydrophobicContact CD1-CG2 3.82Å; I71-I98 HydrophobicContact CD1-CG2 3.99Å; I71-I98 HydrophobicContact CG1-CG2 3.86Å; I71-I98 HydrophobicContact CG2-CG2 4.31Å; F96-I98 HydrophobicContact CD2-CG1 4.27Å; F96-I98 HydrophobicContact CE2-CD1 4.24Å; F96-I98 HydrophobicContact CE2-CG1 4.09Å; I98-T108 WeakPolarHBondContact O-CA 3.41Å; I98-L109 HydrophobicContact CB-CB 4.32Å; I98-L109 HydrophobicContact CD1-CD2 4.36Å; I98-L109 PolarHBondContact N-O 3Å; I98-L109 PolarHBondContact O-N 3.32Å; I98-L111 HydrophobicContact CD1-CD1 4.48Å; I98-L126 HydrophobicContact CD1-CD1 3.6Å; I98-L126 HydrophobicContact CG1-CD1 4.17Å
99	F	94.6	Very high	92.7	Very high	6 Å²	6	53.3 Å²	53.3	3%	0.026	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	122.1	172.4	-67.4	-99.4	0	0	0	108.6	K72 E73 R75 T97 L106 N107 T108 E343	K72-F99 PolarHBondContact N-O 2.88Å; E73-F99 HydrophobicContact CB-CB 4.09Å; E73-F99 HydrophobicContact CB-CD2 4.36Å; E73-F99 HydrophobicContact CG-CD2 4.09Å; E73-F99 PolarHBondContact N-O 3.36Å; E73-F99 PolarHBondContact O-N 3.02Å; R75-F99 HydrophobicContact CB-CD2 4.45Å; R75-F99 HydrophobicContact CB-CE2 3.97Å; T97-F99 HydrophobicContact CG2-CD2 3.86Å; T97-F99 HydrophobicContact CG2-CE2 3.49Å; T97-F99 VanDerWaalsContact CG2-CE2 3.49Å; T97-F99 HydrophobicContact CG2-CZ 3.87Å; F99-L106 HydrophobicContact CB-CD1 4.03Å; F99-N107 WeakPolarHBondContact CA-O 3.33Å; F99-T108 HydrophobicContact CD1-CG2 3.59Å; F99-T108 HydrophobicContact CE1-CG2 3.5Å; F99-T108 HydrophobicContact CG-CG2 4.38Å; F99-T108 HydrophobicContact CZ-CG2 4.23Å; F99-E343 HydrophobicContact CE1-CG 4.4Å
100	Y	94.9	Very high	93.3	Very high	31 Å²	31	43.6 Å²	43.6	12%	0.122	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	160.3	-171.7	72.5	-77	0	0	0	112.6	L66 E70 N107 L109	L66-Y100 HydrophobicContact CB-CD2 4.41Å; L66-Y100 HydrophobicContact CB-CE2 4.22Å; L66-Y100 HydrophobicContact CD1-CD1 3.29Å; L66-Y100 HydrophobicContact CD1-CD2 3.83Å; L66-Y100 HydrophobicContact CD1-CE1 3.55Å; L66-Y100 HydrophobicContact CD1-CE2 4.04Å; L66-Y100 HydrophobicContact CD1-CG 3.43Å; L66-Y100 VanDerWaalsContact CD1-CG 3.43Å; L66-Y100 HydrophobicContact CG-CD1 4.1Å; L66-Y100 HydrophobicContact CG-CD2 3.66Å; L66-Y100 HydrophobicContact CG-CE1 4.36Å; L66-Y100 HydrophobicContact CG-CE2 3.93Å; L66-Y100 HydrophobicContact CG-CG 3.73Å; E70-Y100 CarbonylContact O-C 3.59Å; E70-Y100 WeakPolarHBondContact O-CA 3.46Å; E70-Y100 WeakPolarHBondContact O-CB 3.49Å; Y100-N107 HydrophobicContact CD1-CB 4.03Å; Y100-N107 WeakPolarHBondContact CD1-O 3.34Å; Y100-N107 HydrophobicContact CD2-CB 4.38Å; Y100-N107 HydrophobicContact CE1-CB 3.62Å; Y100-N107 HydrophobicContact CE2-CB 4.02Å; Y100-N107 HydrophobicContact CG-CB 4.41Å; Y100-N107 PolarHBondContact N-O 2.86Å; Y100-N107 WeakPolarHBondContact O-CB 3.44Å; Y100-N107 PolarHBondContact O-N 3.18Å; Y100-L109 HydrophobicContact CE1-CB 4.09Å
101	G	94.2	Very high	93.7	Very high	3 Å²	3	40.5 Å²	40.5	3%	0.031	20%	0.202	C	C	.	.			trans	130.2	-179.8	173.5	0	0	0	0	0	112.9	E70 K72	E70-G101 PolarHBondContact O-N 3.22Å; K72-G101 WeakPolarHBondContact CE-O 3.35Å
102	T	93.8	Very high	94.1	Very high	53 Å²	53	33.9 Å²	33.9	33%	0.325	17%	0.174	S	C	.	.	S	Bend	trans	-113.8	9	-171	57.5	0	0	0	0	113.4	E70 N1169	E70-T102 HydrophobicContact CG-CG2 4.11Å; T102-N1169 WeakPolarHBondContact CB-ND2 3.38Å; T102-N1169 PolarHBondContact O-ND2 3.05Å
103	Q	94.1	Very high	94.5	Very high	111 Å²	111	28.6 Å²	28.6	52%	0.519	15%	0.15	S	C	.	.	S	Bend	trans	-109.8	175.8	179.3	-61	-174	3	0	0	111.6	L106 R347 Y1171	Q103-L106 WeakPolarHBondContact O-CD2 3.15Å; Q103-R347 PolarHBondContact O-NH2 2.96Å; Q103-Y1171 HydrophobicContact CB-CD2 4.3Å; Q103-Y1171 HydrophobicContact CB-CE2 4.05Å; Q103-Y1171 HydrophobicContact CG-CD2 4.34Å; Q103-Y1171 HydrophobicContact CG-CE2 4.01Å
104	F	94.8	Very high	94.5	Very high	8 Å²	8	28.4 Å²	28.4	4%	0.035	15%	0.152	C	C	.	.	S	Bend	trans	-65.3	-49.1	171.4	-177.3	-102.8	0	0	0	111.4	L106 A344 R347 M351 F1014 Q1015 Y1171	F104-L106 PolarHBondContact O-N 3.42Å; F104-A344 HydrophobicContact CE1-CB 4.06Å; F104-A344 HydrophobicContact CZ-CB 4.21Å; F104-R347 HydrophobicContact CD2-CG 3.76Å; F104-R347 HydrophobicContact CE2-CB 4.13Å; F104-R347 HydrophobicContact CE2-CG 3.63Å; F104-R347 HydrophobicContact CG-CG 4.44Å; F104-R347 HydrophobicContact CZ-CB 4.29Å; F104-R347 HydrophobicContact CZ-CG 4.22Å; F104-M351 HydrophobicContact CD2-SD 4.15Å; F104-M351 HydrophobicContact CE2-SD 4.21Å; F104-F1014 HydrophobicContact CD2-CB 4.49Å; F104-F1014 WeakPolarHBondContact CD2-O 3.46Å; F104-F1014 HydrophobicContact CE2-CB 3.84Å; F104-F1014 HydrophobicContact CZ-CB 4.36Å; F104-Q1015 HydrophobicContact CD1-CB 3.57Å; F104-Q1015 HydrophobicContact CE1-CB 3.81Å; F104-Q1015 HydrophobicContact CG-CB 4.08Å; F104-Q1015 HydrophobicContact CZ-CB 4.49Å; F104-Y1171 HydrophobicContact CB-CD1 3.9Å; F104-Y1171 HydrophobicContact CB-CE1 3.66Å
105	V	94.4	Very high	94.5	Very high	77 Å²	77	28.6 Å²	28.6	47%	0.467	16%	0.157	S	C	.	.	S	Bend	trans	-80.7	115.3	172.7	-175.3	0	0	0	0	109	T332	V105-T332 HydrophobicContact CG2-CG2 4.24Å
106	L	93.9	Very high	94.5	Very high	35 Å²	35	33.1 Å²	33.1	18%	0.183	18%	0.177	C	C	.	.			trans	-85.3	149.4	-176.2	-59.7	178.9	0	0	0	111.9	K72 F99 Q103 F104	K72-L106 HydrophobicContact CB-CD1 3.77Å; K72-L106 HydrophobicContact CG-CD1 4.02Å; K72-L106 HydrophobicContact CG-CD2 3.87Å; F99-L106 HydrophobicContact CB-CD1 4.03Å; Q103-L106 WeakPolarHBondContact O-CD2 3.15Å; F104-L106 PolarHBondContact O-N 3.42Å
107	N	92.9	Very high	94.3	Very high	85 Å²	85	37.3 Å²	37.3	46%	0.455	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	154.4	165.9	-65.7	-46.6	0	0	0	110	F99 Y100	F99-N107 WeakPolarHBondContact CA-O 3.33Å; Y100-N107 HydrophobicContact CD1-CB 4.03Å; Y100-N107 WeakPolarHBondContact CD1-O 3.34Å; Y100-N107 HydrophobicContact CD2-CB 4.38Å; Y100-N107 HydrophobicContact CE1-CB 3.62Å; Y100-N107 HydrophobicContact CE2-CB 4.02Å; Y100-N107 HydrophobicContact CG-CB 4.41Å; Y100-N107 PolarHBondContact N-O 2.86Å; Y100-N107 WeakPolarHBondContact O-CB 3.44Å; Y100-N107 PolarHBondContact O-N 3.18Å
108	T	93.3	Very high	94.3	Very high	43 Å²	43	39.2 Å²	39.2	26%	0.264	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	134.2	178.8	52.8	0	0	0	0	111.6	D82 T97 I98 F99	D82-T108 VanDerWaalsContact OD2-CB 3.23Å; D82-T108 WeakPolarHBondContact OD2-CB 3.44Å; D82-T108 PolarHBondContact OD2-OG1 2.81Å; T97-T108 HydrophobicContact CG2-CG2 4.22Å; I98-T108 WeakPolarHBondContact O-CA 3.41Å; F99-T108 HydrophobicContact CD1-CG2 3.59Å; F99-T108 HydrophobicContact CE1-CG2 3.5Å; F99-T108 HydrophobicContact CG-CG2 4.38Å; F99-T108 HydrophobicContact CZ-CG2 4.23Å
109	L	93.9	Very high	94.2	Very high	8 Å²	8	39.2 Å²	39.2	4%	0.042	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	96.2	166.7	-178	62	0	0	0	108.1	V31 W55 L66 T97 I98 Y100 L111	V31-L109 HydrophobicContact CG1-CD1 3.84Å; W55-L109 HydrophobicContact CE3-CD2 4.03Å; W55-L109 HydrophobicContact CZ3-CD2 4.02Å; L66-L109 HydrophobicContact CD1-CB 4.39Å; L66-L109 HydrophobicContact CD1-CD2 4.19Å; T97-L109 WeakPolarHBondContact CA-O 3.47Å; I98-L109 HydrophobicContact CB-CB 4.32Å; I98-L109 HydrophobicContact CD1-CD2 4.36Å; I98-L109 PolarHBondContact N-O 3Å; I98-L109 PolarHBondContact O-N 3.32Å; Y100-L109 HydrophobicContact CE1-CB 4.09Å; L109-L111 HydrophobicContact CD1-CD2 4.05Å; L109-L111 HydrophobicContact CD2-CD1 4.25Å; L109-L111 HydrophobicContact CG-CD1 4.18Å; L109-L111 HydrophobicContact CG-CD2 4.03Å; L109-L111 HydrophobicContact CG-CG 4.06Å
110	S	95	Very high	94.1	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	119.4	-176.2	-66.6	0	0	0	0	110.7	F32 S80 D82 T97	F32-S110 PolarHBondContact N-O 2.74Å; S80-S110 PolarHBondContact OG-OG 3.45Å; D82-S110 WeakPolarHBondContact CB-OG 3.45Å; D82-S110 WeakPolarHBondContact OD2-CB 3.48Å; D82-S110 PolarHBondContact OD2-OG 3.23Å; T97-S110 WeakPolarHBondContact CG2-OG 3.33Å; T97-S110 PolarHBondContact OG1-OG 2.55Å
111	L	95.1	Very high	94.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	140.2	-167	-61.1	175.5	0	0	0	111.8	M29 T30 V31 I44 F83 C95 F96 I98 L109	M29-L111 HydrophobicContact SD-CB 3.96Å; M29-L111 HydrophobicContact SD-CD1 4.08Å; M29-L111 HydrophobicContact SD-CG 4.47Å; T30-L111 WeakPolarHBondContact O-CA 3.26Å; V31-L111 HydrophobicContact CB-CD2 4.35Å; V31-L111 HydrophobicContact CG1-CD2 4.32Å; V31-L111 HydrophobicContact CG2-CD2 3.76Å; I44-L111 HydrophobicContact CD1-CD2 3.96Å; I44-L111 HydrophobicContact CG1-CD1 4.45Å; I44-L111 HydrophobicContact CG1-CD2 4.11Å; I44-L111 HydrophobicContact CG2-CD1 4.38Å; F83-L111 WeakPolarHBondContact CZ-O 3.47Å; C95-L111 VanDerWaalsContact CA-O 3.27Å; C95-L111 WeakPolarHBondContact CA-O 3.46Å; F96-L111 HydrophobicContact CD1-CB 4.48Å; F96-L111 HydrophobicContact CE1-CB 4.07Å; F96-L111 HydrophobicContact CE1-CD1 4.48Å; F96-L111 HydrophobicContact CE2-CB 4.34Å; F96-L111 HydrophobicContact CE2-CD1 3.71Å; F96-L111 HydrophobicContact CZ-CB 3.99Å; F96-L111 HydrophobicContact CZ-CD1 3.6Å; F96-L111 HydrophobicContact CZ-CG 4.41Å; F96-L111 PolarHBondContact N-O 3.29Å; F96-L111 PolarHBondContact O-N 3.47Å; I98-L111 HydrophobicContact CD1-CD1 4.48Å; L109-L111 HydrophobicContact CD1-CD2 4.05Å; L109-L111 HydrophobicContact CD2-CD1 4.25Å; L109-L111 HydrophobicContact CG-CD1 4.18Å; L109-L111 HydrophobicContact CG-CD2 4.03Å; L109-L111 HydrophobicContact CG-CG 4.06Å
112	A	96	Very high	94.1	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.008	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	118.5	168.2	0	0	0	0	0	110.9	M29 T30 F32 Q90 H94	M29-A112 WeakPolarHBondContact CA-O 3.49Å; T30-A112 PolarHBondContact N-O 3.34Å; T30-A112 PolarHBondContact O-N 2.9Å; F32-A112 HydrophobicContact CE2-CB 3.83Å; Q90-A112 HydrophobicContact CB-CB 4.18Å; Q90-A112 HydrophobicContact CG-CB 3.9Å; H94-A112 CarbonylContact O-C 3.59Å; H94-A112 WeakPolarHBondContact O-CA 3.24Å
113	A	95.2	Very high	94.1	Very high	4 Å²	4	41.8 Å²	41.8	3%	0.033	22%	0.219	C	C	.	.			trans	-81.1	163.1	175.4	0	0	0	0	0	111.9	M29 H94 S115 D118 A119	M29-A113 HydrophobicContact CE-CB 4.18Å; M29-A113 HydrophobicContact CG-CB 4.41Å; M29-A113 HydrophobicContact SD-CB 4.43Å; H94-A113 WeakPolarHBondContact CB-O 3.38Å; H94-A113 PolarHBondContact O-N 3.1Å; A113-S115 VanDerWaalsContact C-N 3.34Å; A113-D118 HydrophobicContact CB-CB 3.97Å; A113-A119 HydrophobicContact CB-CB 4.19Å
114	D	93.2	Very high	94.1	Very high	96 Å²	96	36.8 Å²	36.8	51%	0.513	20%	0.196	S	C	.	.	S	Bend	trans	-73.7	-30.4	177.6	-72.3	-7.9	0	0	0	111.4	R41 H94	R41-D114 IonicContact CZ-OD1 3.6Å; R41-D114 IonicContact CZ-OD2 3.88Å; R41-D114 IonicContact NH2-OD1 3.68Å; R41-D114 PolarHBondContact NH2-OD1 3.47Å; R41-D114 IonicContact NH2-OD2 3.59Å; R41-D114 PolarHBondContact NH2-OD2 3.07Å; H94-D114 PolarHBondContact CE1-O 3.39Å; H94-D114 PolarHBondContact ND1-O 3.38Å
115	S	94.2	Very high	94.1	Very high	37 Å²	37	36.4 Å²	36.4	26%	0.259	20%	0.195	S	C	.	.	S	Bend	trans	-128.7	157.1	179.5	83.2	0	0	0	0	112.8	A113 D117 D118 A119	A113-S115 VanDerWaalsContact C-N 3.34Å; S115-D117 VanDerWaalsContact C-N 3.31Å; S115-D117 PolarHBondContact OG-N 3.29Å; S115-D118 PolarHBondContact OG-N 3.45Å; S115-D118 VanDerWaalsContact OG-N 3.08Å; S115-D118 PolarHBondContact OG-OD2 3.24Å; S115-A119 PolarHBondContact O-N 3.38Å
116	K	93.8	Very high	94.1	Very high	97 Å²	97	32.7 Å²	32.7	42%	0.422	17%	0.173	S	C	.	.	H	α-helix	trans	-62.4	-40.2	171.5	-177.4	-170.8	175.6	-156.3	0	111.6	Q93 H94 D118 A119 D120	Q93-K116 HydrophobicContact CB-CD 4.34Å; Q93-K116 HydrophobicContact CB-CG 4.21Å; H94-K116 PolarHBondContact CD2-N 2.85Å; H94-K116 PolarHBondContact NE2-N 3.41Å; K116-D118 VanDerWaalsContact C-N 3.32Å; K116-D118 PolarHBondContact O-N 2.78Å; K116-A119 PolarHBondContact O-N 2.78Å; K116-D120 VanDerWaalsContact CE-OD2 3.24Å; K116-D120 WeakPolarHBondContact CE-OD2 3.33Å; K116-D120 IonicContact NZ-OD2 2.88Å; K116-D120 PolarHBondContact O-N 3.07Å
117	D	93.1	Very high	94	Very high	88 Å²	88	34 Å²	34	47%	0.471	18%	0.179	S	C	.	.	H	α-helix	trans	-61.8	-41	-178.5	-178.3	64.6	0	0	0	111.5	S115 D120 K121	S115-D117 VanDerWaalsContact C-N 3.31Å; S115-D117 PolarHBondContact OG-N 3.29Å; D117-D120 PolarHBondContact O-N 2.84Å; D117-K121 WeakPolarHBondContact O-CB 3.43Å; D117-K121 VanDerWaalsContact O-CG 3.28Å; D117-K121 WeakPolarHBondContact O-CG 3.36Å; D117-K121 PolarHBondContact O-N 2.6Å; D117-K121 IonicContact OD1-NZ 3.26Å; D117-K121 WeakPolarHBondContact OD2-CE 3.2Å; D117-K121 IonicContact OD2-NZ 3.39Å; D117-K121 PolarHBondContact OD2-NZ 2.87Å
118	D	93.6	Very high	93.9	Very high	40 Å²	40	30.7 Å²	30.7	21%	0.214	16%	0.162	C	C	.	.	H	α-helix	trans	-64.1	-44.8	173.9	-62.1	-41.8	0	0	0	111.5	T27 A113 S115 K116 D120 K121 W122	T27-D118 HydrophobicContact CG2-CB 4.3Å; A113-D118 HydrophobicContact CB-CB 3.97Å; S115-D118 PolarHBondContact OG-N 3.45Å; S115-D118 VanDerWaalsContact OG-N 3.08Å; S115-D118 PolarHBondContact OG-OD2 3.24Å; K116-D118 VanDerWaalsContact C-N 3.32Å; K116-D118 PolarHBondContact O-N 2.78Å; D118-D120 PolarHBondContact O-N 3.35Å; D118-K121 PolarHBondContact O-N 3.13Å; D118-W122 PolarHBondContact O-N 2.83Å
119	A	93.9	Very high	93.9	Very high	1 Å²	1	29 Å²	29	1%	0.008	15%	0.151	C	C	.	.	H	α-helix	trans	-60.4	-45.3	176.9	0	0	0	0	0	112	F96 A113 S115 K116 W122 L123	F96-A119 HydrophobicContact CD1-CB 4.4Å; A113-A119 HydrophobicContact CB-CB 4.19Å; S115-A119 PolarHBondContact O-N 3.38Å; K116-A119 PolarHBondContact O-N 2.78Å; A119-W122 PolarHBondContact O-N 2.85Å; A119-L123 WeakPolarHBondContact O-CB 3.28Å; A119-L123 VanDerWaalsContact O-CG 3.28Å; A119-L123 WeakPolarHBondContact O-CG 3.47Å; A119-L123 PolarHBondContact O-N 3.14Å
120	D	93.6	Very high	93.7	Very high	64 Å²	64	31.4 Å²	31.4	34%	0.342	16%	0.16	S	C	.	.	H	α-helix	trans	-64.1	-41.2	178.4	-72	-20.1	0	0	0	111.3	K116 D117 D118 L123 C124	K116-D120 VanDerWaalsContact CE-OD2 3.24Å; K116-D120 WeakPolarHBondContact CE-OD2 3.33Å; K116-D120 IonicContact NZ-OD2 2.88Å; K116-D120 PolarHBondContact O-N 3.07Å; D117-D120 PolarHBondContact O-N 2.84Å; D118-D120 PolarHBondContact O-N 3.35Å; D120-L123 PolarHBondContact O-N 3.33Å; D120-C124 VanDerWaalsContact O-CB 3.3Å; D120-C124 WeakPolarHBondContact O-CB 3.49Å; D120-C124 PolarHBondContact O-N 2.88Å
121	K	93.6	Very high	93.5	Very high	67 Å²	67	37.1 Å²	37.1	29%	0.291	19%	0.187	S	C	.	.	H	α-helix	trans	-61.8	-42.3	174.2	-78.2	169	177.6	165.4	0	112.4	D117 D118 G125	D117-K121 WeakPolarHBondContact O-CB 3.43Å; D117-K121 VanDerWaalsContact O-CG 3.28Å; D117-K121 WeakPolarHBondContact O-CG 3.36Å; D117-K121 PolarHBondContact O-N 2.6Å; D117-K121 IonicContact OD1-NZ 3.26Å; D117-K121 WeakPolarHBondContact OD2-CE 3.2Å; D117-K121 IonicContact OD2-NZ 3.39Å; D117-K121 PolarHBondContact OD2-NZ 2.87Å; D118-K121 PolarHBondContact O-N 3.13Å; K121-G125 PolarHBondContact O-N 2.86Å
122	W	95.1	Very high	93.2	Very high	1 Å²	1	40.5 Å²	40.5	0%	0.004	20%	0.203	C	C	.	.	H	α-helix	trans	-67.7	-44.7	177.6	-87.8	80.1	0	0	0	112.4	L23 T27 M29 I44 V46 V53 F96 D118 A119 C124 G125 L126	L23-W122 HydrophobicContact CD1-CD2 4.35Å; L23-W122 HydrophobicContact CD1-CG 4.36Å; L23-W122 HydrophobicContact CD2-CE3 4.25Å; L23-W122 HydrophobicContact CD2-CZ3 4.49Å; L23-W122 HydrophobicContact CG-CD2 3.94Å; L23-W122 HydrophobicContact CG-CE3 4.06Å; L23-W122 HydrophobicContact CG-CG 4.44Å; L23-W122 HydrophobicContact CG-CH2 4.28Å; L23-W122 HydrophobicContact CG-CZ2 4.19Å; L23-W122 HydrophobicContact CG-CZ3 4.22Å; T27-W122 VanDerWaalsContact CB-NE1 3.28Å; T27-W122 PolarHBondContact OG1-NE1 3.2Å; M29-W122 HydrophobicContact CE-CB 4.22Å; M29-W122 HydrophobicContact CE-CD2 3.6Å; M29-W122 HydrophobicContact CE-CE3 4.5Å; M29-W122 HydrophobicContact CE-CG 3.4Å; M29-W122 VanDerWaalsContact CE-CG 3.4Å; M29-W122 HydrophobicContact CE-CZ2 4.39Å; M29-W122 VanDerWaalsContact CE-NE1 3.28Å; I44-W122 HydrophobicContact CB-CH2 3.89Å; I44-W122 HydrophobicContact CB-CZ2 4.18Å; I44-W122 HydrophobicContact CB-CZ3 4.43Å; I44-W122 HydrophobicContact CG2-CH2 3.5Å; I44-W122 VanDerWaalsContact CG2-CH2 3.5Å; I44-W122 HydrophobicContact CG2-CZ2 4.26Å; I44-W122 HydrophobicContact CG2-CZ3 3.65Å; I44-W122 WeakPolarHBondContact O-CH2 3.41Å; I44-W122 WeakPolarHBondContact O-CZ2 3.38Å; V46-W122 HydrophobicContact CG2-CH2 4.3Å; V46-W122 HydrophobicContact CG2-CZ3 4.14Å; V53-W122 HydrophobicContact CG1-CZ3 4.39Å; F96-W122 HydrophobicContact CE1-CB 4.06Å; F96-W122 HydrophobicContact CZ-CB 3.78Å; F96-W122 HydrophobicContact CZ-CE3 4.49Å; F96-W122 HydrophobicContact CZ-CG 4.31Å; D118-W122 PolarHBondContact O-N 2.83Å; A119-W122 PolarHBondContact O-N 2.85Å; W122-C124 VanDerWaalsContact C-N 3.33Å; W122-C124 PolarHBondContact O-N 3.43Å; W122-G125 PolarHBondContact O-N 2.89Å; W122-L126 HydrophobicContact CE3-CD1 4.22Å; W122-L126 HydrophobicContact CE3-CD2 4.47Å; W122-L126 HydrophobicContact CE3-CG 4.28Å; W122-L126 WeakPolarHBondContact O-CB 3.39Å; W122-L126 VanDerWaalsContact O-CG 3.22Å; W122-L126 WeakPolarHBondContact O-CG 3.38Å; W122-L126 PolarHBondContact O-N 3.3Å
123	L	94.5	Very high	92.9	Very high	14 Å²	14	40.7 Å²	40.7	7%	0.073	20%	0.203	C	C	.	.	H	α-helix	trans	-58.1	-45.8	174.2	-72.7	168.8	0	0	0	111.5	I74 P76 F96 A119 D120 N127	I74-L123 HydrophobicContact CG2-CD2 3.48Å; I74-L123 VanDerWaalsContact CG2-CD2 3.48Å; P76-L123 HydrophobicContact CB-CD1 3.92Å; F96-L123 HydrophobicContact CB-CD2 3.72Å; F96-L123 HydrophobicContact CB-CG 4.29Å; F96-L123 HydrophobicContact CD2-CD2 4.13Å; F96-L123 HydrophobicContact CG-CD2 3.97Å; F96-L123 HydrophobicContact CG-CG 4.32Å; A119-L123 WeakPolarHBondContact O-CB 3.28Å; A119-L123 VanDerWaalsContact O-CG 3.28Å; A119-L123 WeakPolarHBondContact O-CG 3.47Å; A119-L123 PolarHBondContact O-N 3.14Å; D120-L123 PolarHBondContact O-N 3.33Å; L123-N127 PolarHBondContact O-N 2.83Å; L123-N127 PolarHBondContact O-ND2 3.31Å
124	C	93.1	Very high	92.4	Very high	6 Å²	6	44.2 Å²	44.2	4%	0.041	22%	0.221	C	C	.	.	H	α-helix	trans	-64.8	-49.2	176.7	-176.6	0	0	0	0	111.8	Y8 L11 D120 W122 N127 I128	Y8-C124 HydrophobicContact CD1-CB 3.91Å; Y8-C124 WeakPolarHBondContact CD1-SG 3.49Å; Y8-C124 HydrophobicContact CE1-CB 3.84Å; L11-C124 VanDerWaalsContact CD1-SG 3.54Å; D120-C124 VanDerWaalsContact O-CB 3.3Å; D120-C124 WeakPolarHBondContact O-CB 3.49Å; D120-C124 PolarHBondContact O-N 2.88Å; W122-C124 VanDerWaalsContact C-N 3.33Å; W122-C124 PolarHBondContact O-N 3.43Å; C124-N127 PolarHBondContact O-N 3.09Å; C124-I128 WeakPolarHBondContact O-CG1 3.47Å; C124-I128 PolarHBondContact O-N 2.92Å
125	G	94.2	Very high	92.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.3	-43.6	-176.9	0	0	0	0	0	112.8	K121 W122 N127 I128 L129	K121-G125 PolarHBondContact O-N 2.86Å; W122-G125 PolarHBondContact O-N 2.89Å; G125-N127 PolarHBondContact O-N 3.23Å; G125-I128 PolarHBondContact O-N 3.26Å; G125-L129 WeakPolarHBondContact O-CB 3.2Å; G125-L129 VanDerWaalsContact O-CG 3.24Å; G125-L129 WeakPolarHBondContact O-CG 3.44Å; G125-L129 PolarHBondContact O-N 3.44Å
126	L	94.6	Very high	91.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64.5	-38.5	176.7	-69.4	171.4	0	0	0	112.1	L23 V53 L68 I74 F96 I98 W122 L129 Y130	L23-L126 HydrophobicContact CD2-CG 4.45Å; V53-L126 HydrophobicContact CG2-CD2 3.8Å; L68-L126 HydrophobicContact CD2-CD2 4.03Å; I74-L126 HydrophobicContact CD1-CB 3.53Å; I74-L126 HydrophobicContact CD1-CD1 4.28Å; F96-L126 HydrophobicContact CE2-CD1 4Å; I98-L126 HydrophobicContact CD1-CD1 3.6Å; I98-L126 HydrophobicContact CG1-CD1 4.17Å; W122-L126 HydrophobicContact CE3-CD1 4.22Å; W122-L126 HydrophobicContact CE3-CD2 4.47Å; W122-L126 HydrophobicContact CE3-CG 4.28Å; W122-L126 WeakPolarHBondContact O-CB 3.39Å; W122-L126 VanDerWaalsContact O-CG 3.22Å; W122-L126 WeakPolarHBondContact O-CG 3.38Å; W122-L126 PolarHBondContact O-N 3.3Å; L126-L129 PolarHBondContact O-N 3.36Å; L126-Y130 VanDerWaalsContact O-CB 3.25Å; L126-Y130 WeakPolarHBondContact O-CB 3.41Å; L126-Y130 PolarHBondContact O-N 3.03Å
127	N	91.8	Very high	91.7	Very high	61 Å²	61	37.7 Å²	37.7	33%	0.326	20%	0.195	S	C	.	.	H	α-helix	trans	-64.6	-42.5	175.1	-79.7	-39.8	0	0	0	112.2	L123 C124 G125 Y130 Q131	L123-N127 PolarHBondContact O-N 2.83Å; L123-N127 PolarHBondContact O-ND2 3.31Å; C124-N127 PolarHBondContact O-N 3.09Å; G125-N127 PolarHBondContact O-N 3.23Å; N127-Y130 PolarHBondContact O-N 3.03Å; N127-Q131 WeakPolarHBondContact O-CG 3.3Å; N127-Q131 PolarHBondContact O-N 3.43Å
128	I	91.5	Very high	91.7	Very high	17 Å²	17	34.1 Å²	34.1	9%	0.087	18%	0.177	C	C	.	.	H	α-helix	trans	-59.9	-51.6	175.2	-68.5	162	0	0	0	110	L11 K16 C124 G125 Y130 Q131 E132	L11-I128 HydrophobicContact CD1-CD1 4.48Å; K16-I128 HydrophobicContact CB-CD1 4.35Å; K16-I128 HydrophobicContact CG-CD1 3.97Å; C124-I128 WeakPolarHBondContact O-CG1 3.47Å; C124-I128 PolarHBondContact O-N 2.92Å; G125-I128 PolarHBondContact O-N 3.26Å; I128-Y130 VanDerWaalsContact C-N 3.33Å; I128-Y130 PolarHBondContact O-N 3.45Å; I128-Q131 PolarHBondContact O-N 2.94Å; I128-E132 PolarHBondContact O-N 3.41Å
129	L	92.8	Very high	91.5	Very high	8 Å²	8	34.2 Å²	34.2	4%	0.042	18%	0.179	C	C	.	.	H	α-helix	trans	-62.7	-39.8	-177.9	-70	168.5	0	0	0	112	K20 L23 V46 M48 L68 G125 L126 Q131 E132 V133	K20-L129 HydrophobicContact CD-CD2 3.96Å; K20-L129 HydrophobicContact CG-CD2 4.14Å; L23-L129 HydrophobicContact CD2-CD1 3.97Å; V46-L129 HydrophobicContact CB-CD1 4.42Å; V46-L129 HydrophobicContact CG1-CD1 3.85Å; V46-L129 HydrophobicContact CG2-CD1 4.05Å; M48-L129 HydrophobicContact CE-CD2 4.09Å; M48-L129 HydrophobicContact SD-CD2 3.8Å; L68-L129 HydrophobicContact CD1-CB 3.9Å; L68-L129 HydrophobicContact CD1-CD1 4.37Å; G125-L129 WeakPolarHBondContact O-CB 3.2Å; G125-L129 VanDerWaalsContact O-CG 3.24Å; G125-L129 WeakPolarHBondContact O-CG 3.44Å; G125-L129 PolarHBondContact O-N 3.44Å; L126-L129 PolarHBondContact O-N 3.36Å; L129-Q131 VanDerWaalsContact C-N 3.34Å; L129-Q131 PolarHBondContact O-N 3.31Å; L129-E132 PolarHBondContact O-N 2.99Å; L129-V133 VanDerWaalsContact O-CB 3.22Å; L129-V133 WeakPolarHBondContact O-CB 3.42Å; L129-V133 WeakPolarHBondContact O-CG2 3.42Å; L129-V133 PolarHBondContact O-N 3.25Å
130	Y	90.7	Very high	91.4	Very high	58 Å²	58	35.2 Å²	35.2	23%	0.227	19%	0.187	C	C	.	.	H	α-helix	trans	-59.6	-42.6	176	-179.9	-106.8	0	0	0	112.4	I71 L126 N127 I128 V133 I134	I71-Y130 HydrophobicContact CB-CD2 4.05Å; I71-Y130 HydrophobicContact CB-CE2 4.09Å; I71-Y130 HydrophobicContact CG2-CD2 4.37Å; I71-Y130 HydrophobicContact CG2-CE2 4.44Å; I71-Y130 VanDerWaalsContact O-CE2 3.24Å; I71-Y130 WeakPolarHBondContact O-CE2 3.24Å; I71-Y130 PolarHBondContact O-OH 2.93Å; L126-Y130 VanDerWaalsContact O-CB 3.25Å; L126-Y130 WeakPolarHBondContact O-CB 3.41Å; L126-Y130 PolarHBondContact O-N 3.03Å; N127-Y130 PolarHBondContact O-N 3.03Å; I128-Y130 VanDerWaalsContact C-N 3.33Å; I128-Y130 PolarHBondContact O-N 3.45Å; Y130-V133 PolarHBondContact O-N 3.27Å; Y130-I134 HydrophobicContact CD1-CD1 3.9Å; Y130-I134 HydrophobicContact CD2-CD1 4.46Å; Y130-I134 HydrophobicContact CE1-CD1 3.32Å; Y130-I134 HydrophobicContact CE1-CG1 4.48Å; Y130-I134 HydrophobicContact CE2-CD1 3.96Å; Y130-I134 HydrophobicContact CE2-CG1 4.47Å; Y130-I134 HydrophobicContact CG-CD1 4.44Å; Y130-I134 WeakPolarHBondContact O-CG1 3.46Å; Y130-I134 PolarHBondContact O-N 3.28Å
131	Q	89.1	Confident	91.3	Very high	119 Å²	119	32.8 Å²	32.8	56%	0.556	17%	0.174	S	C	*	.	H	α-helix	trans	-67.5	-40.8	176.7	-66	-60.6	-34.4	0	0	112.3	N127 I128 L129 V133 S135	N127-Q131 WeakPolarHBondContact O-CG 3.3Å; N127-Q131 PolarHBondContact O-N 3.43Å; I128-Q131 PolarHBondContact O-N 2.94Å; L129-Q131 VanDerWaalsContact C-N 3.34Å; L129-Q131 PolarHBondContact O-N 3.31Å; Q131-V133 VanDerWaalsContact C-N 3.29Å; Q131-V133 PolarHBondContact O-N 3.37Å; Q131-S135 WeakPolarHBondContact O-CB 3.15Å; Q131-S135 PolarHBondContact O-N 3.18Å; Q131-S135 VanDerWaalsContact O-N 3.11Å; Q131-S135 PolarHBondContact O-OG 3.29Å
132	E	89.6	Confident	91.3	Very high	72 Å²	72	30.1 Å²	30.1	34%	0.336	16%	0.164	S	C	.	.	H	α-helix	trans	-61.5	-39.8	173.9	-71	178	-179.6	0	0	111.4	K20 I128 L129 S135 A136	K20-E132 IonicContact NZ-OE1 2.77Å; K20-E132 PolarHBondContact NZ-OE1 3.24Å; K20-E132 IonicContact NZ-OE2 2.86Å; I128-E132 PolarHBondContact O-N 3.41Å; L129-E132 PolarHBondContact O-N 2.99Å; E132-S135 PolarHBondContact O-OG 3.44Å; E132-A136 WeakPolarHBondContact O-CB 3.47Å; E132-A136 PolarHBondContact O-N 3.44Å
133	V	88.7	Confident	91.2	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.024	18%	0.179	C	C	.	.	H	α-helix	trans	-65.8	-45.8	-179.8	163.1	0	0	0	0	111.7	R51 L68 M69 L129 Y130 Q131	R51-V133 HydrophobicContact CB-CG2 4.1Å; R51-V133 HydrophobicContact CG-CG2 4.21Å; L68-V133 HydrophobicContact CB-CG1 4.31Å; L68-V133 HydrophobicContact CB-CG2 3.92Å; L68-V133 HydrophobicContact CD1-CG2 4Å; M69-V133 HydrophobicContact CB-CG1 4.35Å; M69-V133 HydrophobicContact CG-CG1 3.42Å; M69-V133 VanDerWaalsContact CG-CG1 3.42Å; M69-V133 HydrophobicContact SD-CB 4.44Å; M69-V133 HydrophobicContact SD-CG1 3.1Å; M69-V133 WeakPolarHBondContact SD-CG1 3.3Å; L129-V133 VanDerWaalsContact O-CB 3.22Å; L129-V133 WeakPolarHBondContact O-CB 3.42Å; L129-V133 WeakPolarHBondContact O-CG2 3.42Å; L129-V133 PolarHBondContact O-N 3.25Å; Y130-V133 PolarHBondContact O-N 3.27Å; Q131-V133 VanDerWaalsContact C-N 3.29Å; Q131-V133 PolarHBondContact O-N 3.37Å
134	I	85.4	Confident	91.1	Very high	78 Å²	78	32.9 Å²	32.9	40%	0.4	18%	0.177	S	C	.	.	H	α-helix	trans	-64.1	-43.4	176.6	-71.1	173.8	0	0	0	111.8	Y130 A136 K297	Y130-I134 HydrophobicContact CD1-CD1 3.9Å; Y130-I134 HydrophobicContact CD2-CD1 4.46Å; Y130-I134 HydrophobicContact CE1-CD1 3.32Å; Y130-I134 HydrophobicContact CE1-CG1 4.48Å; Y130-I134 HydrophobicContact CE2-CD1 3.96Å; Y130-I134 HydrophobicContact CE2-CG1 4.47Å; Y130-I134 HydrophobicContact CG-CD1 4.44Å; Y130-I134 WeakPolarHBondContact O-CG1 3.46Å; Y130-I134 PolarHBondContact O-N 3.28Å; I134-A136 VanDerWaalsContact C-N 3.33Å; I134-A136 PolarHBondContact O-N 3.01Å; I134-K297 PolarHBondContact O-NZ 2.96Å
135	S	87.1	Confident	91.2	Very high	73 Å²	73	33.9 Å²	33.9	51%	0.51	18%	0.18	S	C	.	.	H	α-helix	trans	-81.4	-9.4	-175.6	59.2	0	0	0	0	114.5	Q131 E132	Q131-S135 WeakPolarHBondContact O-CB 3.15Å; Q131-S135 PolarHBondContact O-N 3.18Å; Q131-S135 VanDerWaalsContact O-N 3.11Å; Q131-S135 PolarHBondContact O-OG 3.29Å; E132-S135 PolarHBondContact O-OG 3.44Å
136	A	89.6	Confident	91.2	Very high	5 Å²	5	33.9 Å²	33.9	4%	0.041	18%	0.18	C	C	.	.			trans	-60.3	140.7	-177.4	0	0	0	0	0	113	E132 I134 I141 K297	E132-A136 WeakPolarHBondContact O-CB 3.47Å; E132-A136 PolarHBondContact O-N 3.44Å; I134-A136 VanDerWaalsContact C-N 3.33Å; I134-A136 PolarHBondContact O-N 3.01Å; A136-I141 HydrophobicContact CB-CG1 4.21Å; A136-K297 WeakPolarHBondContact O-CE 3.46Å; A136-K297 PolarHBondContact O-NZ 2.99Å
137	P	90.8	Very high	91.1	Very high	16 Å²	16	35.6 Å²	35.6	10%	0.104	19%	0.186	C	C	.	.			trans	-71.5	155.6	176.6	31.8	-35.8	0	0	0	111.3	A140 I141 K271 E298	P137-A140 HydrophobicContact CG-CB 4.07Å; P137-A140 PolarHBondContact O-N 2.99Å; P137-A140 VanDerWaalsContact O-N 3.11Å; P137-I141 PolarHBondContact O-N 3.47Å; P137-K271 WeakPolarHBondContact CB-O 3.4Å; P137-E298 VanDerWaalsContact CA-OE1 3.27Å; P137-E298 WeakPolarHBondContact CA-OE1 3.1Å
138	T	92	Very high	91.1	Very high	13 Å²	13	33.6 Å²	33.6	8%	0.08	18%	0.175	C	C	.	.	H	α-helix	trans	-52.5	-43	-177	-65.6	0	0	0	0	113.8	A140 I141 T142 A296 K297 E298 L1177	T138-A140 VanDerWaalsContact C-N 3.33Å; T138-A140 PolarHBondContact O-N 3.34Å; T138-I141 WeakPolarHBondContact O-CB 3.39Å; T138-I141 PolarHBondContact O-N 3.35Å; T138-I141 VanDerWaalsContact O-N 3.11Å; T138-T142 PolarHBondContact O-N 2.82Å; T138-T142 PolarHBondContact O-OG1 3.13Å; T138-A296 HydrophobicContact CG2-CB 3.99Å; T138-K297 PolarHBondContact OG1-N 3.37Å; T138-E298 WeakPolarHBondContact CB-OE2 3.47Å; T138-E298 PolarHBondContact N-OE1 2.6Å; T138-E298 PolarHBondContact OG1-OE2 3.42Å; T138-L1177 HydrophobicContact CG2-CD2 4.34Å
139	P	90.6	Very high	91.2	Very high	41 Å²	41	34.1 Å²	34.1	27%	0.266	18%	0.177	S	C	.	.	H	α-helix	trans	-60.9	-36.8	178.5	-30.2	41.5	0	0	0	114.3	I141 T142 E143 F272	P139-I141 VanDerWaalsContact C-N 3.33Å; P139-I141 PolarHBondContact O-N 3.45Å; P139-T142 WeakPolarHBondContact O-CB 3.23Å; P139-T142 PolarHBondContact O-N 2.99Å; P139-E143 PolarHBondContact O-N 3.02Å; P139-F272 HydrophobicContact CG-CD2 4.38Å; P139-F272 HydrophobicContact CG-CE1 4.36Å; P139-F272 HydrophobicContact CG-CE2 4.04Å; P139-F272 HydrophobicContact CG-CZ 4.02Å; P139-F272 WeakPolarHBondContact CG-O 3.18Å
140	A	90.1	Very high	91.1	Very high	22 Å²	22	33.8 Å²	33.8	18%	0.182	18%	0.175	C	C	.	.	H	α-helix	trans	-67.7	-34.7	175.6	0	0	0	0	0	112	P137 T138 S144	P137-A140 HydrophobicContact CG-CB 4.07Å; P137-A140 PolarHBondContact O-N 2.99Å; P137-A140 VanDerWaalsContact O-N 3.11Å; T138-A140 VanDerWaalsContact C-N 3.33Å; T138-A140 PolarHBondContact O-N 3.34Å; A140-S144 WeakPolarHBondContact O-CB 3.48Å; A140-S144 PolarHBondContact O-N 3.27Å; A140-S144 VanDerWaalsContact O-N 3.08Å
141	I	92.3	Very high	90.9	Very high	13 Å²	13	31.9 Å²	31.9	7%	0.067	17%	0.167	C	C	.	.	H	α-helix	trans	-67.8	-42.2	173.2	-57.3	171.4	0	0	0	109.9	A136 P137 T138 P139 E143 S144 W145 E1176 L1177	A136-I141 HydrophobicContact CB-CG1 4.21Å; P137-I141 PolarHBondContact O-N 3.47Å; T138-I141 WeakPolarHBondContact O-CB 3.39Å; T138-I141 PolarHBondContact O-N 3.35Å; T138-I141 VanDerWaalsContact O-N 3.11Å; P139-I141 VanDerWaalsContact C-N 3.33Å; P139-I141 PolarHBondContact O-N 3.45Å; I141-E143 PolarHBondContact O-N 3.41Å; I141-S144 PolarHBondContact O-N 2.84Å; I141-W145 WeakPolarHBondContact O-CB 3.48Å; I141-W145 PolarHBondContact O-N 2.76Å; I141-E1176 HydrophobicContact CG2-CG 4.07Å; I141-L1177 HydrophobicContact CB-CD2 4.08Å; I141-L1177 HydrophobicContact CG2-CD2 3.66Å; I141-L1177 HydrophobicContact CG2-CG 4.02Å
142	T	93.4	Very high	90.8	Very high	11 Å²	11	29.2 Å²	29.2	7%	0.067	16%	0.162	C	C	.	.	H	α-helix	trans	-60.1	-44.2	174.7	-58.2	0	0	0	0	111.7	T138 P139 W145 L146 Y206	T138-T142 PolarHBondContact O-N 2.82Å; T138-T142 PolarHBondContact O-OG1 3.13Å; P139-T142 WeakPolarHBondContact O-CB 3.23Å; P139-T142 PolarHBondContact O-N 2.99Å; T142-W145 PolarHBondContact O-N 3.49Å; T142-L146 HydrophobicContact CG2-CD1 4.23Å; T142-L146 VanDerWaalsContact O-CG 3.3Å; T142-L146 WeakPolarHBondContact O-CG 3.45Å; T142-L146 PolarHBondContact O-N 3.04Å; T142-Y206 HydrophobicContact CG2-CD1 4.29Å; T142-Y206 HydrophobicContact CG2-CE1 3.56Å
143	E	92.3	Very high	90.6	Very high	71 Å²	71	27.8 Å²	27.8	33%	0.332	16%	0.158	S	C	.	.	H	α-helix	trans	-60	-49.6	176.4	-166.6	-170.7	147.9	0	0	111.7	P139 I141 W145 L146 R147 F199	P139-E143 PolarHBondContact O-N 3.02Å; I141-E143 PolarHBondContact O-N 3.41Å; E143-W145 VanDerWaalsContact C-N 3.31Å; E143-W145 PolarHBondContact O-N 3.24Å; E143-L146 PolarHBondContact O-N 3.32Å; E143-R147 WeakPolarHBondContact O-CG 3.35Å; E143-R147 PolarHBondContact O-N 2.95Å; E143-R147 IonicContact OE1-CZ 2.66Å; E143-R147 IonicContact OE1-NE 2.86Å; E143-R147 PolarHBondContact OE1-NE 3.29Å; E143-R147 VanDerWaalsContact OE1-NE 3.13Å; E143-R147 IonicContact OE1-NH2 3.26Å; E143-R147 PolarHBondContact OE1-NH2 2.88Å; E143-F199 HydrophobicContact CG-CE1 3.73Å; E143-F199 HydrophobicContact CG-CZ 3.44Å; E143-F199 VanDerWaalsContact CG-CZ 3.44Å
144	S	93	Very high	90.1	Very high	3 Å²	3	28 Å²	28	2%	0.021	16%	0.159	C	C	.	.	H	α-helix	trans	-56.8	-44.9	176	167.3	0	0	0	0	111.6	E49 T50 A140 I141 L146 R147 K148	E49-S144 WeakPolarHBondContact O-CA 3.4Å; T50-S144 PolarHBondContact O-OG 3.05Å; A140-S144 WeakPolarHBondContact O-CB 3.48Å; A140-S144 PolarHBondContact O-N 3.27Å; A140-S144 VanDerWaalsContact O-N 3.08Å; I141-S144 PolarHBondContact O-N 2.84Å; S144-L146 PolarHBondContact O-N 3.02Å; S144-R147 PolarHBondContact O-N 3.27Å; S144-K148 WeakPolarHBondContact O-CG 3.41Å; S144-K148 PolarHBondContact O-N 3.45Å
145	W	94.8	Very high	89.4	Confident	27 Å²	27	30.7 Å²	30.7	10%	0.102	17%	0.17	C	C	.	.	H	α-helix	trans	-61.4	-42.9	176.5	-178.8	90	0	0	0	112.4	I141 T142 E143 R147 K148 Q149 V173 Y206 H1072 L1109 L1177	I141-W145 WeakPolarHBondContact O-CB 3.48Å; I141-W145 PolarHBondContact O-N 2.76Å; T142-W145 PolarHBondContact O-N 3.49Å; E143-W145 VanDerWaalsContact C-N 3.31Å; E143-W145 PolarHBondContact O-N 3.24Å; W145-R147 PolarHBondContact O-N 2.91Å; W145-K148 WeakPolarHBondContact O-CB 3.41Å; W145-K148 PolarHBondContact O-N 3.38Å; W145-Q149 HydrophobicContact CD2-CG 4.11Å; W145-Q149 HydrophobicContact CE3-CG 4.02Å; W145-Q149 HydrophobicContact CH2-CG 3.86Å; W145-Q149 HydrophobicContact CZ2-CG 3.94Å; W145-Q149 HydrophobicContact CZ3-CG 3.9Å; W145-Q149 WeakPolarHBondContact O-CG 3.42Å; W145-Q149 PolarHBondContact O-N 2.94Å; W145-Q149 VanDerWaalsContact O-N 3.08Å; W145-V173 HydrophobicContact CH2-CB 3.9Å; W145-V173 HydrophobicContact CH2-CG1 3.7Å; W145-V173 HydrophobicContact CH2-CG2 4.31Å; W145-V173 HydrophobicContact CZ2-CB 3.91Å; W145-V173 HydrophobicContact CZ2-CG1 3.53Å; W145-Y206 HydrophobicContact CZ3-CD2 4.18Å; W145-Y206 AromaticContact CZ3-CE2 3.85Å; W145-Y206 HydrophobicContact CZ3-CE2 3.85Å; W145-H1072 AromaticContact CE2-CD2 4Å; W145-H1072 AromaticContact CH2-CD2 3.91Å; W145-H1072 AromaticContact CZ2-CD2 3.76Å; W145-L1109 HydrophobicContact CH2-CD1 4.37Å; W145-L1177 HydrophobicContact CB-CD1 3.53Å; W145-L1177 HydrophobicContact CD2-CD1 4Å; W145-L1177 HydrophobicContact CE3-CD1 4.5Å; W145-L1177 HydrophobicContact CG-CD1 3.56Å
146	L	94.4	Very high	88.6	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.4	-41.1	176.7	-71.2	170	0	0	0	112	T142 E143 S144 K148 Q149 I150 F199 F202 H203 Y206	T142-L146 HydrophobicContact CG2-CD1 4.23Å; T142-L146 VanDerWaalsContact O-CG 3.3Å; T142-L146 WeakPolarHBondContact O-CG 3.45Å; T142-L146 PolarHBondContact O-N 3.04Å; E143-L146 PolarHBondContact O-N 3.32Å; S144-L146 PolarHBondContact O-N 3.02Å; L146-K148 VanDerWaalsContact C-N 3.35Å; L146-Q149 WeakPolarHBondContact O-CB 3.45Å; L146-Q149 PolarHBondContact O-N 2.94Å; L146-Q149 VanDerWaalsContact O-N 3.15Å; L146-I150 PolarHBondContact O-N 3.43Å; L146-F199 HydrophobicContact CB-CE2 4.1Å; L146-F199 HydrophobicContact CB-CZ 4.5Å; L146-F202 HydrophobicContact CB-CD1 4.39Å; L146-F202 HydrophobicContact CB-CE1 4.03Å; L146-F202 HydrophobicContact CD2-CD1 4.28Å; L146-F202 HydrophobicContact CD2-CE1 3.6Å; L146-F202 HydrophobicContact CD2-CZ 4Å; L146-F202 HydrophobicContact CG-CE1 4.41Å; L146-H203 HydrophobicContact CD1-CB 4.11Å; L146-Y206 HydrophobicContact CD1-CD1 4.06Å; L146-Y206 HydrophobicContact CD1-CG 4.22Å; L146-Y206 HydrophobicContact CD2-CD1 4.23Å; L146-Y206 HydrophobicContact CD2-CD2 3.73Å; L146-Y206 HydrophobicContact CD2-CE2 4.37Å; L146-Y206 HydrophobicContact CD2-CG 3.63Å; L146-Y206 HydrophobicContact CG-CG 4.46Å
147	R	92.8	Very high	87.7	Confident	35 Å²	35	35.5 Å²	35.5	13%	0.132	19%	0.187	C	C	.	.	H	α-helix	trans	-62.8	-41.3	174.8	-67.9	-178	-174.5	-87	-6.9	111.7	E49 T50 E143 S144 W145 Q149 I150 Y151 F199	E49-R147 VanDerWaalsContact CB-CD 3.49Å; E49-R147 IonicContact OE2-CZ 2.65Å; E49-R147 IonicContact OE2-NE 3.85Å; E49-R147 IonicContact OE2-NH1 2.82Å; E49-R147 PolarHBondContact OE2-NH1 2.77Å; T50-R147 HydrophobicContact CG2-CB 3.73Å; E143-R147 WeakPolarHBondContact O-CG 3.35Å; E143-R147 PolarHBondContact O-N 2.95Å; E143-R147 IonicContact OE1-CZ 2.66Å; E143-R147 IonicContact OE1-NE 2.86Å; E143-R147 PolarHBondContact OE1-NE 3.29Å; E143-R147 VanDerWaalsContact OE1-NE 3.13Å; E143-R147 IonicContact OE1-NH2 3.26Å; E143-R147 PolarHBondContact OE1-NH2 2.88Å; S144-R147 PolarHBondContact O-N 3.27Å; W145-R147 PolarHBondContact O-N 2.91Å; R147-Q149 PolarHBondContact O-N 3.44Å; R147-I150 PolarHBondContact O-N 3.46Å; R147-I150 VanDerWaalsContact O-N 3.12Å; R147-Y151 PolarHBondContact O-N 2.92Å; R147-F199 HydrophobicContact CB-CE2 4.39Å; R147-F199 HydrophobicContact CG-CD2 4.01Å; R147-F199 HydrophobicContact CG-CE2 3.31Å; R147-F199 HydrophobicContact CG-CZ 3.61Å
148	K	92.8	Very high	87.1	Confident	20 Å²	20	40.2 Å²	40.2	9%	0.087	20%	0.203	C	C	.	.	H	α-helix	trans	-57.7	-38.1	173.2	-66.1	171.1	-164.9	173.5	0	111.7	T50 D67 S144 W145 L146 Y151 S152 E1176	T50-K148 HydrophobicContact CG2-CG 3.99Å; T50-K148 WeakPolarHBondContact O-CE 3.18Å; D67-K148 IonicContact OD1-NZ 3.12Å; D67-K148 WeakPolarHBondContact OD2-CE 3.28Å; D67-K148 IonicContact OD2-NZ 3.23Å; D67-K148 PolarHBondContact OD2-NZ 3.03Å; S144-K148 WeakPolarHBondContact O-CG 3.41Å; S144-K148 PolarHBondContact O-N 3.45Å; W145-K148 WeakPolarHBondContact O-CB 3.41Å; W145-K148 PolarHBondContact O-N 3.38Å; L146-K148 VanDerWaalsContact C-N 3.35Å; K148-Y151 PolarHBondContact O-N 3.04Å; K148-S152 PolarHBondContact O-N 3.49Å; K148-E1176 VanDerWaalsContact NZ-CD 3.32Å; K148-E1176 IonicContact NZ-OE1 3.3Å; K148-E1176 PolarHBondContact NZ-OE1 3.05Å; K148-E1176 IonicContact NZ-OE2 3.42Å; K148-E1176 PolarHBondContact NZ-OE2 3.24Å; K148-E1176 VanDerWaalsContact NZ-OE2 3.11Å
149	Q	92.4	Very high	86.7	Confident	28 Å²	28	42 Å²	42	13%	0.131	21%	0.212	C	C	.	.	H	α-helix	trans	-68	-33.1	177	-58.6	-40.8	-51.6	0	0	113.4	W145 L146 R147 S152 V169 V173	W145-Q149 HydrophobicContact CD2-CG 4.11Å; W145-Q149 HydrophobicContact CE3-CG 4.02Å; W145-Q149 HydrophobicContact CH2-CG 3.86Å; W145-Q149 HydrophobicContact CZ2-CG 3.94Å; W145-Q149 HydrophobicContact CZ3-CG 3.9Å; W145-Q149 WeakPolarHBondContact O-CG 3.42Å; W145-Q149 PolarHBondContact O-N 2.94Å; W145-Q149 VanDerWaalsContact O-N 3.08Å; L146-Q149 WeakPolarHBondContact O-CB 3.45Å; L146-Q149 PolarHBondContact O-N 2.94Å; L146-Q149 VanDerWaalsContact O-N 3.15Å; R147-Q149 PolarHBondContact O-N 3.44Å; Q149-S152 PolarHBondContact O-OG 3.14Å; Q149-V169 HydrophobicContact CB-CG1 3.91Å; Q149-V169 HydrophobicContact CG-CG1 4.48Å; Q149-V173 HydrophobicContact CG-CG1 4.04Å
150	I	90.2	Very high	86.6	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-69.7	-43.8	173.5	-63.4	177.2	0	0	0	109.9	L146 R147 S152 V153 D154 S160 I161 F199 F202	L146-I150 PolarHBondContact O-N 3.43Å; R147-I150 PolarHBondContact O-N 3.46Å; R147-I150 VanDerWaalsContact O-N 3.12Å; I150-S152 VanDerWaalsContact C-N 3.26Å; I150-S152 PolarHBondContact O-N 3.11Å; I150-V153 VanDerWaalsContact O-CG2 3.25Å; I150-V153 WeakPolarHBondContact O-CG2 3.46Å; I150-V153 PolarHBondContact O-N 2.94Å; I150-D154 PolarHBondContact O-N 3.17Å; I150-S160 WeakPolarHBondContact CG2-O 3.22Å; I150-I161 HydrophobicContact CG1-CB 4.41Å; I150-F199 HydrophobicContact CD1-CD2 3.7Å; I150-F199 HydrophobicContact CD1-CE2 4.4Å; I150-F202 HydrophobicContact CD1-CD1 3.78Å; I150-F202 HydrophobicContact CD1-CE1 4.34Å; I150-F202 HydrophobicContact CD1-CG 4.45Å; I150-F202 HydrophobicContact CG1-CD1 3.9Å; I150-F202 HydrophobicContact CG1-CE1 3.98Å
151	Y	88.2	Confident	86.6	Confident	18 Å²	18	39.7 Å²	39.7	7%	0.071	20%	0.196	C	C	.	.	H	α-helix	trans	-74.1	-16	-175.3	-62.9	-7.6	0	0	0	114.1	I47 E49 T50 R147 K148 V153 R157 N159	I47-Y151 HydrophobicContact CG2-CE2 4.35Å; E49-Y151 HydrophobicContact CG-CE2 4.25Å; E49-Y151 PolarHBondContact OE1-OH 3.48Å; E49-Y151 PolarHBondContact OE2-OH 3.26Å; E49-Y151 VanDerWaalsContact OE2-OH 3.07Å; T50-Y151 HydrophobicContact CG2-CD2 3.56Å; T50-Y151 HydrophobicContact CG2-CE2 3.55Å; R147-Y151 PolarHBondContact O-N 2.92Å; K148-Y151 PolarHBondContact O-N 3.04Å; Y151-V153 PolarHBondContact O-N 3.17Å; Y151-R157 HydrophobicContact CD1-CB 4.49Å; Y151-R157 HydrophobicContact CD1-CG 4.34Å; Y151-R157 HydrophobicContact CE1-CB 4.04Å; Y151-R157 HydrophobicContact CE1-CG 4.23Å; Y151-R157 HydrophobicContact CE2-CG 4.37Å; Y151-N159 VanDerWaalsContact CE1-OD1 3.24Å; Y151-N159 WeakPolarHBondContact CE1-OD1 3.49Å; Y151-N159 PolarHBondContact OH-OD1 2.91Å
152	S	87.1	Confident	86.4	Confident	64 Å²	64	40.5 Å²	40.5	45%	0.448	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-25.9	173.1	73.1	0	0	0	0	112.5	K148 Q149 I150	K148-S152 PolarHBondContact O-N 3.49Å; Q149-S152 PolarHBondContact O-OG 3.14Å; I150-S152 VanDerWaalsContact C-N 3.26Å; I150-S152 PolarHBondContact O-N 3.11Å
153	V	84.4	Confident	86	Confident	41 Å²	41	40.2 Å²	40.2	25%	0.248	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-25.2	-179.6	-68.8	0	0	0	0	113.4	I150 Y151 I161 E165 T168 V169	I150-V153 VanDerWaalsContact O-CG2 3.25Å; I150-V153 WeakPolarHBondContact O-CG2 3.46Å; I150-V153 PolarHBondContact O-N 2.94Å; Y151-V153 PolarHBondContact O-N 3.17Å; V153-I161 HydrophobicContact CG2-CD1 4.27Å; V153-E165 HydrophobicContact CB-CB 4.25Å; V153-E165 HydrophobicContact CB-CG 4.25Å; V153-E165 HydrophobicContact CG2-CB 3.88Å; V153-E165 HydrophobicContact CG2-CG 4.22Å; V153-T168 HydrophobicContact CG1-CG2 4.43Å; V153-V169 HydrophobicContact CB-CG2 4.24Å; V153-V169 HydrophobicContact CG1-CG2 3.51Å; V153-V169 HydrophobicContact CG2-CG2 3.66Å
154	D	79.3	Confident	85.6	Confident	10 Å²	10	44.6 Å²	44.6	5%	0.053	21%	0.214	C	C	.	.			trans	-119.6	100.7	175.7	-178.9	23.7	0	0	0	112.8	I150 T156 R157 R158	I150-D154 PolarHBondContact O-N 3.17Å; D154-T156 VanDerWaalsContact CG-OG1 3.28Å; D154-T156 PolarHBondContact O-N 3.32Å; D154-T156 WeakPolarHBondContact OD1-CB 3.47Å; D154-T156 PolarHBondContact OD1-N 3.27Å; D154-T156 PolarHBondContact OD1-OG1 3.45Å; D154-T156 PolarHBondContact OD2-OG1 3.01Å; D154-R157 PolarHBondContact O-N 2.93Å; D154-R158 IonicContact OD1-NE 2.91Å; D154-R158 WeakPolarHBondContact OD2-CB 3.3Å; D154-R158 IonicContact OD2-CZ 3.73Å; D154-R158 PolarHBondContact OD2-N 3.24Å; D154-R158 IonicContact OD2-NE 2.58Å; D154-R158 PolarHBondContact OD2-NE 3.39Å; D154-R158 VanDerWaalsContact OD2-NE 3.1Å; D154-R158 IonicContact OD2-NH2 3.92Å
155	Q	69.8	Low	85.4	Confident	134 Å²	134	46.2 Å²	46.2	63%	0.626	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-13.7	176.1	-63.3	-175.5	4.6	0	0	113.3	R157	Q155-R157 PolarHBondContact O-N 2.79Å
156	T	70.1	Confident	85.1	Confident	101 Å²	101	45 Å²	45	62%	0.62	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-2.7	179.2	67.8	0	0	0	0	113	D154 R158	D154-T156 VanDerWaalsContact CG-OG1 3.28Å; D154-T156 PolarHBondContact O-N 3.32Å; D154-T156 WeakPolarHBondContact OD1-CB 3.47Å; D154-T156 PolarHBondContact OD1-N 3.27Å; D154-T156 PolarHBondContact OD1-OG1 3.45Å; D154-T156 PolarHBondContact OD2-OG1 3.01Å; T156-R158 VanDerWaalsContact C-N 3.3Å; T156-R158 PolarHBondContact O-N 2.92Å; T156-R158 WeakPolarHBondContact OG1-CD 3.2Å; T156-R158 VanDerWaalsContact OG1-CG 3.27Å; T156-R158 WeakPolarHBondContact OG1-CG 3.46Å; T156-R158 PolarHBondContact OG1-NE 3.35Å
157	R	71.7	Confident	84.6	Confident	78 Å²	78	50.4 Å²	50.4	29%	0.294	24%	0.24	S	C	.	.			trans	51.4	43.7	177.5	-55.9	-173.8	-170.3	169.9	3.8	112.9	Q45 Y151 D154 Q155 N159	Q45-R157 VanDerWaalsContact NE2-NH2 3.11Å; Y151-R157 HydrophobicContact CD1-CB 4.49Å; Y151-R157 HydrophobicContact CD1-CG 4.34Å; Y151-R157 HydrophobicContact CE1-CB 4.04Å; Y151-R157 HydrophobicContact CE1-CG 4.23Å; Y151-R157 HydrophobicContact CE2-CG 4.37Å; D154-R157 PolarHBondContact O-N 2.93Å; Q155-R157 PolarHBondContact O-N 2.79Å; R157-N159 PolarHBondContact O-N 3.44Å; R157-N159 VanDerWaalsContact O-N 3.13Å
158	R	78.6	Confident	84.3	Confident	114 Å²	114	52.4 Å²	52.4	43%	0.43	26%	0.256	S	S	.	.			trans	-68.9	-8.8	179.9	-68.6	173	-57.7	111.5	-3	113.6	D154 T156 S160 E165 E196	D154-R158 IonicContact OD1-NE 2.91Å; D154-R158 WeakPolarHBondContact OD2-CB 3.3Å; D154-R158 IonicContact OD2-CZ 3.73Å; D154-R158 PolarHBondContact OD2-N 3.24Å; D154-R158 IonicContact OD2-NE 2.58Å; D154-R158 PolarHBondContact OD2-NE 3.39Å; D154-R158 VanDerWaalsContact OD2-NE 3.1Å; D154-R158 IonicContact OD2-NH2 3.92Å; T156-R158 VanDerWaalsContact C-N 3.3Å; T156-R158 PolarHBondContact O-N 2.92Å; T156-R158 WeakPolarHBondContact OG1-CD 3.2Å; T156-R158 VanDerWaalsContact OG1-CG 3.27Å; T156-R158 WeakPolarHBondContact OG1-CG 3.46Å; T156-R158 PolarHBondContact OG1-NE 3.35Å; R158-S160 PolarHBondContact NH1-OG 3.19Å; R158-S160 PolarHBondContact O-N 3.29Å; R158-E165 IonicContact NH2-OE1 3.59Å; R158-E165 PolarHBondContact NH2-OE1 2.88Å; R158-E165 IonicContact NH2-OE2 3.52Å; R158-E196 IonicContact CZ-OE1 3.5Å; R158-E196 IonicContact NH1-OE1 3.5Å; R158-E196 PolarHBondContact NH1-OE1 3.05Å
159	N	83.6	Confident	84.2	Confident	50 Å²	50	51.5 Å²	51.5	27%	0.267	25%	0.252	S	S	.	.	S	Bend	trans	55.5	33.4	-173.9	-77.2	-22.9	0	0	0	112.6	Y151 R157 F199	Y151-N159 VanDerWaalsContact CE1-OD1 3.24Å; Y151-N159 WeakPolarHBondContact CE1-OD1 3.49Å; Y151-N159 PolarHBondContact OH-OD1 2.91Å; R157-N159 PolarHBondContact O-N 3.44Å; R157-N159 VanDerWaalsContact O-N 3.13Å; N159-F199 PolarHBondContact O-N 3.23Å
160	S	87.6	Confident	84.1	Confident	16 Å²	16	50.4 Å²	50.4	11%	0.112	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	156.3	174.1	61.7	0	0	0	0	110	I150 R158 E196 L197	I150-S160 WeakPolarHBondContact CG2-O 3.22Å; R158-S160 PolarHBondContact NH1-OG 3.19Å; R158-S160 PolarHBondContact O-N 3.29Å; S160-E196 VanDerWaalsContact CB-OE1 3.29Å; S160-E196 WeakPolarHBondContact CB-OE1 3.28Å; S160-E196 PolarHBondContact OG-OE1 3.31Å; S160-L197 CarbonylContact C-O 3.59Å; S160-L197 WeakPolarHBondContact CA-O 3.34Å; S160-L197 WeakPolarHBondContact CB-O 3.49Å
161	I	89.7	Confident	84	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	125.7	179.3	-167.8	168.8	0	0	0	110.5	I150 V153 E165 L166 V169 E196 L197 F202	I150-I161 HydrophobicContact CG1-CB 4.41Å; V153-I161 HydrophobicContact CG2-CD1 4.27Å; I161-E165 HydrophobicContact CD1-CB 4.34Å; I161-E165 HydrophobicContact CG1-CB 3.7Å; I161-L166 HydrophobicContact CD1-CB 4.08Å; I161-L166 HydrophobicContact CD1-CD1 4.06Å; I161-L166 HydrophobicContact CG1-CB 4.24Å; I161-V169 HydrophobicContact CD1-CB 4.44Å; I161-V169 HydrophobicContact CD1-CG2 3.94Å; I161-E196 WeakPolarHBondContact O-CA 3.32Å; I161-L197 HydrophobicContact CG2-CB 4.03Å; I161-L197 PolarHBondContact N-O 3.36Å; I161-L197 PolarHBondContact O-N 3.03Å; I161-F202 HydrophobicContact CG2-CB 4.09Å; I161-F202 HydrophobicContact CG2-CD2 3.84Å; I161-F202 HydrophobicContact CG2-CG 3.98Å
162	S	88.4	Confident	84.1	Confident	30 Å²	30	56 Å²	56	21%	0.21	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	160.4	175.6	68.5	0	0	0	0	111.7	R164 E165 L166 E195	S162-R164 PolarHBondContact O-N 2.79Å; S162-E165 VanDerWaalsContact CB-OE2 3.25Å; S162-E165 WeakPolarHBondContact CB-OE2 3.5Å; S162-E165 PolarHBondContact N-OE2 2.94Å; S162-E165 PolarHBondContact O-N 3.14Å; S162-E165 WeakPolarHBondContact OG-CB 3.5Å; S162-E165 VanDerWaalsContact OG-CG 3.27Å; S162-E165 WeakPolarHBondContact OG-CG 3.31Å; S162-E165 PolarHBondContact OG-N 3.07Å; S162-E165 PolarHBondContact OG-OE2 2.94Å; S162-L166 WeakPolarHBondContact O-CB 3.03Å; S162-L166 PolarHBondContact O-N 2.84Å; S162-E195 WeakPolarHBondContact CA-O 3.43Å
163	L	85.6	Confident	84.3	Confident	4 Å²	4	53.8 Å²	53.8	2%	0.021	26%	0.261	C	S	.	.	H	α-helix	trans	-57	-34.3	175.5	-169.8	71.8	0	0	0	112.7	K167 M180 L183 K184 F187 E195	L163-K167 PolarHBondContact O-N 3.2Å; L163-M180 HydrophobicContact CD2-CE 3.5Å; L163-M180 VanDerWaalsContact CD2-CE 3.5Å; L163-M180 HydrophobicContact CG-CE 3.6Å; L163-L183 HydrophobicContact CD1-CB 3.76Å; L163-K184 HydrophobicContact CD2-CG 3.96Å; L163-F187 HydrophobicContact CB-CE1 4.03Å; L163-F187 HydrophobicContact CB-CZ 4.19Å; L163-F187 HydrophobicContact CD1-CD1 4.04Å; L163-F187 HydrophobicContact CD1-CD2 3.85Å; L163-F187 HydrophobicContact CD1-CE1 3.8Å; L163-F187 HydrophobicContact CD1-CE2 3.61Å; L163-F187 HydrophobicContact CD1-CG 4.06Å; L163-F187 HydrophobicContact CD1-CZ 3.58Å; L163-E195 HydrophobicContact CB-CB 4.36Å; L163-E195 PolarHBondContact N-O 2.94Å
164	R	83.3	Confident	84.7	Confident	163 Å²	163	51.9 Å²	51.9	62%	0.615	25%	0.25	S	C	*	.	H	α-helix	trans	-70.1	-47.2	177.5	-67.1	-179	-177.5	-170.5	-4.8	111.3	S162 K167 T168 M555	S162-R164 PolarHBondContact O-N 2.79Å; R164-K167 WeakPolarHBondContact O-CB 3.39Å; R164-K167 PolarHBondContact O-N 3.17Å; R164-T168 PolarHBondContact O-N 3.44Å; R164-M555 PolarHBondContact NH2-O 3.34Å
165	E	88.8	Confident	85.3	Confident	38 Å²	38	52.2 Å²	52.2	18%	0.178	25%	0.251	C	S	.	.	H	α-helix	trans	-63	-43.3	177.5	-73.2	160	155.5	0	0	111.2	V153 R158 I161 S162 K167 T168 V169	V153-E165 HydrophobicContact CB-CB 4.25Å; V153-E165 HydrophobicContact CB-CG 4.25Å; V153-E165 HydrophobicContact CG2-CB 3.88Å; V153-E165 HydrophobicContact CG2-CG 4.22Å; R158-E165 IonicContact NH2-OE1 3.59Å; R158-E165 PolarHBondContact NH2-OE1 2.88Å; R158-E165 IonicContact NH2-OE2 3.52Å; I161-E165 HydrophobicContact CD1-CB 4.34Å; I161-E165 HydrophobicContact CG1-CB 3.7Å; S162-E165 VanDerWaalsContact CB-OE2 3.25Å; S162-E165 WeakPolarHBondContact CB-OE2 3.5Å; S162-E165 PolarHBondContact N-OE2 2.94Å; S162-E165 PolarHBondContact O-N 3.14Å; S162-E165 WeakPolarHBondContact OG-CB 3.5Å; S162-E165 VanDerWaalsContact OG-CG 3.27Å; S162-E165 WeakPolarHBondContact OG-CG 3.31Å; S162-E165 PolarHBondContact OG-N 3.07Å; S162-E165 PolarHBondContact OG-OE2 2.94Å; E165-K167 VanDerWaalsContact C-N 3.31Å; E165-K167 PolarHBondContact O-N 2.85Å; E165-T168 WeakPolarHBondContact O-CA 3.45Å; E165-T168 WeakPolarHBondContact O-CB 3.24Å; E165-T168 PolarHBondContact O-N 2.88Å; E165-V169 WeakPolarHBondContact O-CG2 3.03Å; E165-V169 PolarHBondContact O-N 2.85Å
166	L	88.6	Confident	86.1	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61.7	-38.2	178.1	-175.9	67.3	0	0	0	112.7	I161 S162 T168 V169 L170 L183 F187 L197 F202 F205	I161-L166 HydrophobicContact CD1-CB 4.08Å; I161-L166 HydrophobicContact CD1-CD1 4.06Å; I161-L166 HydrophobicContact CG1-CB 4.24Å; S162-L166 WeakPolarHBondContact O-CB 3.03Å; S162-L166 PolarHBondContact O-N 2.84Å; L166-T168 PolarHBondContact O-N 3.34Å; L166-V169 PolarHBondContact O-N 3.03Å; L166-L170 HydrophobicContact CD1-CD1 4.15Å; L166-L170 HydrophobicContact CD1-CD2 4.33Å; L166-L170 HydrophobicContact CD1-CG 3.93Å; L166-L170 HydrophobicContact CD2-CD1 4.36Å; L166-L170 HydrophobicContact CG-CD1 3.91Å; L166-L170 HydrophobicContact CG-CG 4.13Å; L166-L170 WeakPolarHBondContact O-CG 3.37Å; L166-L170 PolarHBondContact O-N 2.95Å; L166-L183 HydrophobicContact CD2-CD2 4.33Å; L166-F187 HydrophobicContact CD2-CE2 3.41Å; L166-F187 VanDerWaalsContact CD2-CE2 3.41Å; L166-F187 HydrophobicContact CD2-CZ 3.8Å; L166-L197 HydrophobicContact CD2-CD1 4.45Å; L166-F202 HydrophobicContact CD1-CD2 4.14Å; L166-F202 HydrophobicContact CD1-CE2 3.55Å; L166-F205 HydrophobicContact CD1-CE1 4.2Å; L166-F205 HydrophobicContact CD2-CD1 4.5Å; L166-F205 HydrophobicContact CD2-CE1 3.97Å; L166-F205 HydrophobicContact CD2-CE2 4.33Å; L166-F205 HydrophobicContact CD2-CZ 3.89Å
167	K	84.6	Confident	86.7	Confident	115 Å²	115	46.5 Å²	46.5	50%	0.5	22%	0.218	S	C	.	.	H	α-helix	trans	-59.7	-30	174.1	-174.5	-176.5	177.2	-175.8	0	111.8	L163 R164 E165 P171 M180 L183	L163-K167 PolarHBondContact O-N 3.2Å; R164-K167 WeakPolarHBondContact O-CB 3.39Å; R164-K167 PolarHBondContact O-N 3.17Å; E165-K167 VanDerWaalsContact C-N 3.31Å; E165-K167 PolarHBondContact O-N 2.85Å; K167-P171 WeakPolarHBondContact O-CD 3.25Å; K167-M180 HydrophobicContact CD-SD 3.99Å; K167-L183 HydrophobicContact CB-CD1 4.19Å
168	T	85.4	Confident	87	Confident	76 Å²	76	47.4 Å²	47.4	47%	0.466	24%	0.236	S	C	.	.	H	α-helix	trans	-81.5	-38.7	176	-60	0	0	0	0	112.3	V153 R164 E165 L166 Q172	V153-T168 HydrophobicContact CG1-CG2 4.43Å; R164-T168 PolarHBondContact O-N 3.44Å; E165-T168 WeakPolarHBondContact O-CA 3.45Å; E165-T168 WeakPolarHBondContact O-CB 3.24Å; E165-T168 PolarHBondContact O-N 2.88Å; L166-T168 PolarHBondContact O-N 3.34Å; T168-Q172 WeakPolarHBondContact O-CG 3.16Å
169	V	90.4	Very high	86.9	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.012	23%	0.234	C	C	.	.	H	α-helix	trans	-69.5	-45.5	-178.3	171.4	0	0	0	0	112.4	Q149 V153 I161 E165 L166 Q172 V173	Q149-V169 HydrophobicContact CB-CG1 3.91Å; Q149-V169 HydrophobicContact CG-CG1 4.48Å; V153-V169 HydrophobicContact CB-CG2 4.24Å; V153-V169 HydrophobicContact CG1-CG2 3.51Å; V153-V169 HydrophobicContact CG2-CG2 3.66Å; I161-V169 HydrophobicContact CD1-CB 4.44Å; I161-V169 HydrophobicContact CD1-CG2 3.94Å; E165-V169 WeakPolarHBondContact O-CG2 3.03Å; E165-V169 PolarHBondContact O-N 2.85Å; L166-V169 PolarHBondContact O-N 3.03Å; V169-Q172 WeakPolarHBondContact O-CA 3.25Å; V169-Q172 VanDerWaalsContact O-CB 3.3Å; V169-Q172 WeakPolarHBondContact O-CB 3.22Å; V169-Q172 PolarHBondContact O-N 2.9Å; V169-V173 HydrophobicContact CG1-CG1 4.41Å; V169-V173 PolarHBondContact O-N 3.03Å; V169-V173 VanDerWaalsContact O-N 3.12Å
170	L	91.2	Very high	86.7	Confident	5 Å²	5	45.5 Å²	45.5	3%	0.026	24%	0.237	C	C	.	.	H	α-helix	trans	-56.9	-45.5	-172.4	-74.4	173.2	0	0	0	114	L166 Q172 V173 N174 F175 V177 L183 F205 I209	L166-L170 HydrophobicContact CD1-CD1 4.15Å; L166-L170 HydrophobicContact CD1-CD2 4.33Å; L166-L170 HydrophobicContact CD1-CG 3.93Å; L166-L170 HydrophobicContact CD2-CD1 4.36Å; L166-L170 HydrophobicContact CG-CD1 3.91Å; L166-L170 HydrophobicContact CG-CG 4.13Å; L166-L170 WeakPolarHBondContact O-CG 3.37Å; L166-L170 PolarHBondContact O-N 2.95Å; L170-Q172 VanDerWaalsContact C-N 3.28Å; L170-Q172 PolarHBondContact O-N 3.35Å; L170-V173 HydrophobicContact CD2-CG2 4.43Å; L170-V173 CarbonylContact O-C 3.51Å; L170-V173 VanDerWaalsContact O-CG2 3.22Å; L170-V173 WeakPolarHBondContact O-CG2 3.02Å; L170-V173 PolarHBondContact O-N 3.44Å; L170-N174 PolarHBondContact O-N 2.93Å; L170-F175 CarbonylContact C-O 3.56Å; L170-F175 VanDerWaalsContact C-O 3.3Å; L170-F175 HydrophobicContact CB-CB 4.41Å; L170-F175 HydrophobicContact CB-CD1 4.14Å; L170-F175 HydrophobicContact CD1-CD1 4.19Å; L170-F175 HydrophobicContact CD2-CB 4.37Å; L170-F175 HydrophobicContact CD2-CD1 4.02Å; L170-F175 HydrophobicContact CD2-CG 4.41Å; L170-F175 HydrophobicContact CG-CD1 4.35Å; L170-F175 WeakPolarHBondContact O-CB 3.35Å; L170-F175 PolarHBondContact O-N 2.8Å; L170-V177 HydrophobicContact CB-CG2 3.68Å; L170-V177 HydrophobicContact CD1-CG2 3.67Å; L170-V177 HydrophobicContact CG-CG2 4.34Å; L170-L183 HydrophobicContact CD1-CD2 3.7Å; L170-F205 HydrophobicContact CD1-CE1 4.27Å; L170-F205 HydrophobicContact CD1-CZ 4.17Å; L170-F205 HydrophobicContact CD2-CE1 4.23Å; L170-I209 HydrophobicContact CD2-CD1 4.37Å
171	P	88.8	Confident	86.5	Confident	42 Å²	42	51.8 Å²	51.8	27%	0.273	26%	0.263	S	S	.	.	H	α-helix	trans	-65.7	-26	173.1	-23.3	35.1	0	0	0	114.2	K167 V173 N174 K1075	K167-P171 WeakPolarHBondContact O-CD 3.25Å; P171-V173 VanDerWaalsContact C-N 3.33Å; P171-N174 PolarHBondContact O-N 2.89Å; P171-K1075 WeakPolarHBondContact O-CE 3.39Å; P171-K1075 PolarHBondContact O-NZ 2.93Å
172	Q	88.9	Confident	86.3	Confident	92 Å²	92	54 Å²	54	43%	0.43	27%	0.273	S	S	.	.	H	α-helix	trans	-70.8	-32.3	175.7	-65.1	176.1	9.9	0	0	111.4	T168 V169 L170 N174 K1075	T168-Q172 WeakPolarHBondContact O-CG 3.16Å; V169-Q172 WeakPolarHBondContact O-CA 3.25Å; V169-Q172 VanDerWaalsContact O-CB 3.3Å; V169-Q172 WeakPolarHBondContact O-CB 3.22Å; V169-Q172 PolarHBondContact O-N 2.9Å; L170-Q172 VanDerWaalsContact C-N 3.28Å; L170-Q172 PolarHBondContact O-N 3.35Å; Q172-N174 VanDerWaalsContact C-N 3.28Å; Q172-N174 PolarHBondContact O-N 3.39Å; Q172-K1075 WeakPolarHBondContact O-CD 3.45Å
173	V	91.6	Very high	86.2	Confident	18 Å²	18	52.6 Å²	52.6	11%	0.109	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	25.5	175.3	-56.8	0	0	0	0	113	W145 Q149 V169 L170 P171 F175 L1109	W145-V173 HydrophobicContact CH2-CB 3.9Å; W145-V173 HydrophobicContact CH2-CG1 3.7Å; W145-V173 HydrophobicContact CH2-CG2 4.31Å; W145-V173 HydrophobicContact CZ2-CB 3.91Å; W145-V173 HydrophobicContact CZ2-CG1 3.53Å; Q149-V173 HydrophobicContact CG-CG1 4.04Å; V169-V173 HydrophobicContact CG1-CG1 4.41Å; V169-V173 PolarHBondContact O-N 3.03Å; V169-V173 VanDerWaalsContact O-N 3.12Å; L170-V173 HydrophobicContact CD2-CG2 4.43Å; L170-V173 CarbonylContact O-C 3.51Å; L170-V173 VanDerWaalsContact O-CG2 3.22Å; L170-V173 WeakPolarHBondContact O-CG2 3.02Å; L170-V173 PolarHBondContact O-N 3.44Å; P171-V173 VanDerWaalsContact C-N 3.33Å; V173-F175 PolarHBondContact O-N 3.11Å; V173-L1109 HydrophobicContact CG2-CD2 4.36Å; V173-L1109 WeakPolarHBondContact O-CB 3.34Å
174	N	92.8	Very high	86.2	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.005	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.5	28	173.7	-104	-20.7	0	0	0	115.3	L170 P171 Q172 L1073 P1074 K1075 A1081 G1108 L1109	L170-N174 PolarHBondContact O-N 2.93Å; P171-N174 PolarHBondContact O-N 2.89Å; Q172-N174 VanDerWaalsContact C-N 3.28Å; Q172-N174 PolarHBondContact O-N 3.39Å; N174-L1073 PolarHBondContact ND2-O 3.12Å; N174-P1074 VanDerWaalsContact ND2-C 3.27Å; N174-P1074 PolarHBondContact ND2-O 3.12Å; N174-K1075 VanDerWaalsContact ND2-CA 3.3Å; N174-K1075 WeakPolarHBondContact ND2-CA 3.39Å; N174-K1075 PolarHBondContact ND2-N 3.37Å; N174-A1081 PolarHBondContact OD1-N 2.91Å; N174-A1081 VanDerWaalsContact OD1-N 3.08Å; N174-G1108 PolarHBondContact O-N 2.88Å; N174-L1109 PolarHBondContact O-N 3.36Å; N174-L1109 VanDerWaalsContact O-N 3.16Å
175	F	91.1	Very high	86.3	Confident	18 Å²	18	53.2 Å²	53.2	8%	0.079	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-115.1	124	177	-173.3	-94.8	0	0	0	112.6	L170 V173 V177 F182 I209 L1109	L170-F175 CarbonylContact C-O 3.56Å; L170-F175 VanDerWaalsContact C-O 3.3Å; L170-F175 HydrophobicContact CB-CB 4.41Å; L170-F175 HydrophobicContact CB-CD1 4.14Å; L170-F175 HydrophobicContact CD1-CD1 4.19Å; L170-F175 HydrophobicContact CD2-CB 4.37Å; L170-F175 HydrophobicContact CD2-CD1 4.02Å; L170-F175 HydrophobicContact CD2-CG 4.41Å; L170-F175 HydrophobicContact CG-CD1 4.35Å; L170-F175 WeakPolarHBondContact O-CB 3.35Å; L170-F175 PolarHBondContact O-N 2.8Å; V173-F175 PolarHBondContact O-N 3.11Å; F175-V177 PolarHBondContact O-N 2.78Å; F175-F182 HydrophobicContact CE1-CE1 4.18Å; F175-F182 HydrophobicContact CZ-CE1 4.49Å; F175-F182 HydrophobicContact CZ-CZ 4.37Å; F175-I209 HydrophobicContact CE2-CG2 4.4Å; F175-I209 HydrophobicContact CZ-CG2 3.94Å; F175-L1109 HydrophobicContact CB-CB 4.04Å; F175-L1109 HydrophobicContact CB-CD2 3.74Å; F175-L1109 HydrophobicContact CD2-CB 4.31Å; F175-L1109 HydrophobicContact CD2-CD2 3.93Å; F175-L1109 HydrophobicContact CG-CD2 4.08Å
176	K	87.8	Confident	86.3	Confident	83 Å²	83	52.1 Å²	52.1	36%	0.361	27%	0.268	S	S	.	.			trans	-81	118.2	177.6	-174.1	172.5	-175.4	173	0	111.2	S178 I1080 D1106	K176-S178 PolarHBondContact O-N 3.21Å; K176-I1080 HydrophobicContact CB-CD1 3.67Å; K176-I1080 HydrophobicContact CG-CD1 4.21Å; K176-D1106 HydrophobicContact CB-CB 4.2Å; K176-D1106 WeakPolarHBondContact CB-O 3.39Å; K176-D1106 HydrophobicContact CD-CB 3.59Å; K176-D1106 WeakPolarHBondContact CD-OD2 3.25Å; K176-D1106 IonicContact NZ-OD2 2.86Å; K176-D1106 PolarHBondContact NZ-OD2 3.07Å
177	V	83.4	Confident	86.3	Confident	31 Å²	31	52.6 Å²	52.6	19%	0.188	27%	0.27	C	S	.	.			trans	-80	112.8	172.5	-178	0	0	0	0	109.4	L170 F175 S179 L183	L170-V177 HydrophobicContact CB-CG2 3.68Å; L170-V177 HydrophobicContact CD1-CG2 3.67Å; L170-V177 HydrophobicContact CG-CG2 4.34Å; F175-V177 PolarHBondContact O-N 2.78Å; V177-S179 PolarHBondContact O-N 2.77Å; V177-L183 HydrophobicContact CG1-CD1 3.72Å; V177-L183 HydrophobicContact CG1-CD2 4.09Å; V177-L183 HydrophobicContact CG1-CG 3.68Å
178	S	76.5	Confident	86.4	Confident	97 Å²	97	50.8 Å²	50.8	68%	0.678	28%	0.276	S	S	*	.			trans	-66.6	-38.9	-175.7	-43.3	0	0	0	0	113.6	K176	K176-S178 PolarHBondContact O-N 3.21Å
179	S	77.8	Confident	86.4	Confident	55 Å²	55	51.7 Å²	51.7	39%	0.385	28%	0.276	S	S	.	.			trans	-164.1	164.2	175.3	67	0	0	0	0	111.7	V177 K181 F182 L183	V177-S179 PolarHBondContact O-N 2.77Å; S179-K181 PolarHBondContact O-N 2.83Å; S179-K181 PolarHBondContact OG-N 3Å; S179-F182 WeakPolarHBondContact O-CB 3.27Å; S179-F182 PolarHBondContact O-N 2.83Å; S179-F182 PolarHBondContact OG-N 3.14Å; S179-F182 VanDerWaalsContact OG-N 3.09Å; S179-L183 PolarHBondContact O-N 3.16Å
180	M	78.8	Confident	86.3	Confident	69 Å²	69	52.5 Å²	52.5	34%	0.34	28%	0.28	S	S	.	.	H	α-helix	trans	-65.8	-28.4	172.3	-158.7	62.8	170.2	0	0	112.2	L163 K167 L183 K184	L163-M180 HydrophobicContact CD2-CE 3.5Å; L163-M180 VanDerWaalsContact CD2-CE 3.5Å; L163-M180 HydrophobicContact CG-CE 3.6Å; K167-M180 HydrophobicContact CD-SD 3.99Å; M180-L183 PolarHBondContact O-N 3.28Å; M180-L183 HydrophobicContact SD-CD1 4.24Å; M180-K184 WeakPolarHBondContact O-CG 3.33Å; M180-K184 PolarHBondContact O-N 3.31Å; M180-K184 VanDerWaalsContact O-N 3.11Å
181	K	82.9	Confident	85.9	Confident	148 Å²	148	54 Å²	54	64%	0.643	30%	0.296	S	S	*	.	H	α-helix	trans	-62.8	-44.9	173.6	-179.9	174.6	177.6	176.7	0	111.1	S179 L183 K184 D185	S179-K181 PolarHBondContact O-N 2.83Å; S179-K181 PolarHBondContact OG-N 3Å; K181-L183 VanDerWaalsContact C-N 3.31Å; K181-L183 PolarHBondContact O-N 3.21Å; K181-K184 PolarHBondContact O-N 3.27Å; K181-K184 VanDerWaalsContact O-N 3.14Å; K181-D185 WeakPolarHBondContact CG-OD2 3.45Å; K181-D185 WeakPolarHBondContact O-CB 3.43Å; K181-D185 PolarHBondContact O-N 3.48Å
182	F	85.6	Confident	85.5	Confident	48 Å²	48	53.2 Å²	53.2	21%	0.211	29%	0.293	C	S	.	.	H	α-helix	trans	-54.1	-46.1	175.7	166	-94.4	0	0	0	112.3	F175 S179 D185 K186 I209	F175-F182 HydrophobicContact CE1-CE1 4.18Å; F175-F182 HydrophobicContact CZ-CE1 4.49Å; F175-F182 HydrophobicContact CZ-CZ 4.37Å; S179-F182 WeakPolarHBondContact O-CB 3.27Å; S179-F182 PolarHBondContact O-N 2.83Å; S179-F182 PolarHBondContact OG-N 3.14Å; S179-F182 VanDerWaalsContact OG-N 3.09Å; F182-D185 PolarHBondContact O-N 3.05Å; F182-K186 HydrophobicContact CE1-CG 4.43Å; F182-K186 HydrophobicContact CE2-CG 4.13Å; F182-K186 HydrophobicContact CZ-CG 4.08Å; F182-K186 WeakPolarHBondContact O-CG 3.38Å; F182-K186 PolarHBondContact O-N 2.88Å; F182-I209 HydrophobicContact CZ-CG2 4.3Å
183	L	85.4	Confident	84.3	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-65.7	-42.3	177.7	-66.3	-179.8	0	0	0	112.3	L163 L166 K167 L170 V177 S179 M180 K181 D185 K186 F187 F205	L163-L183 HydrophobicContact CD1-CB 3.76Å; L166-L183 HydrophobicContact CD2-CD2 4.33Å; K167-L183 HydrophobicContact CB-CD1 4.19Å; L170-L183 HydrophobicContact CD1-CD2 3.7Å; V177-L183 HydrophobicContact CG1-CD1 3.72Å; V177-L183 HydrophobicContact CG1-CD2 4.09Å; V177-L183 HydrophobicContact CG1-CG 3.68Å; S179-L183 PolarHBondContact O-N 3.16Å; M180-L183 PolarHBondContact O-N 3.28Å; M180-L183 HydrophobicContact SD-CD1 4.24Å; K181-L183 VanDerWaalsContact C-N 3.31Å; K181-L183 PolarHBondContact O-N 3.21Å; L183-D185 PolarHBondContact O-N 2.91Å; L183-K186 PolarHBondContact O-N 2.97Å; L183-F187 WeakPolarHBondContact O-CD2 3.45Å; L183-F187 PolarHBondContact O-N 3.04Å; L183-F205 HydrophobicContact CD2-CZ 4.21Å
184	K	85.6	Confident	83.2	Confident	102 Å²	102	65.2 Å²	65.2	44%	0.443	35%	0.345	S	S	.	.	H	α-helix	trans	-62.5	-42.4	177.7	-73.6	-174.6	174.9	-164.4	0	112.2	L163 M180 K181 K186 F187 A188 E195	L163-K184 HydrophobicContact CD2-CG 3.96Å; M180-K184 WeakPolarHBondContact O-CG 3.33Å; M180-K184 PolarHBondContact O-N 3.31Å; M180-K184 VanDerWaalsContact O-N 3.11Å; K181-K184 PolarHBondContact O-N 3.27Å; K181-K184 VanDerWaalsContact O-N 3.14Å; K184-K186 VanDerWaalsContact C-N 3.34Å; K184-F187 PolarHBondContact O-N 2.96Å; K184-A188 PolarHBondContact O-N 2.82Å; K184-E195 IonicContact NZ-OE1 3.88Å
185	D	87.3	Confident	82.6	Confident	78 Å²	78	70.5 Å²	70.5	42%	0.417	37%	0.37	S	S	.	.	H	α-helix	trans	-62.2	-44	176.9	-65.6	-16.2	0	0	0	110	K181 F182 L183 F187 A188 E189	K181-D185 WeakPolarHBondContact CG-OD2 3.45Å; K181-D185 WeakPolarHBondContact O-CB 3.43Å; K181-D185 PolarHBondContact O-N 3.48Å; F182-D185 PolarHBondContact O-N 3.05Å; L183-D185 PolarHBondContact O-N 2.91Å; D185-F187 PolarHBondContact O-N 3.32Å; D185-A188 WeakPolarHBondContact O-CB 3.37Å; D185-A188 PolarHBondContact O-N 3.44Å; D185-E189 WeakPolarHBondContact O-CG 3.47Å; D185-E189 PolarHBondContact O-N 2.85Å
186	K	87.4	Confident	82.4	Confident	15 Å²	15	72.6 Å²	72.6	7%	0.065	38%	0.379	C	S	.	.	H	α-helix	trans	-65.7	-34.4	175.4	-70.5	-70.4	167.6	-158.3	0	114.1	F182 L183 K184 E189 I190 F205 E212	F182-K186 HydrophobicContact CE1-CG 4.43Å; F182-K186 HydrophobicContact CE2-CG 4.13Å; F182-K186 HydrophobicContact CZ-CG 4.08Å; F182-K186 WeakPolarHBondContact O-CG 3.38Å; F182-K186 PolarHBondContact O-N 2.88Å; L183-K186 PolarHBondContact O-N 2.97Å; K184-K186 VanDerWaalsContact C-N 3.34Å; K186-E189 WeakPolarHBondContact CD-OE2 3.46Å; K186-E189 IonicContact NZ-OE1 3.48Å; K186-E189 PolarHBondContact NZ-OE1 3.46Å; K186-E189 IonicContact NZ-OE2 2.98Å; K186-E189 PolarHBondContact NZ-OE2 3.22Å; K186-E189 PolarHBondContact O-N 3.44Å; K186-I190 WeakPolarHBondContact O-CD1 3.16Å; K186-I190 WeakPolarHBondContact O-CG1 3.46Å; K186-I190 PolarHBondContact O-N 3.4Å; K186-F205 HydrophobicContact CB-CD2 4.16Å; K186-F205 HydrophobicContact CB-CE2 3.7Å; K186-F205 HydrophobicContact CG-CE2 4.3Å; K186-E212 WeakPolarHBondContact CE-OE2 3.34Å; K186-E212 IonicContact NZ-OE1 3.59Å; K186-E212 PolarHBondContact NZ-OE1 3.23Å; K186-E212 IonicContact NZ-OE2 2.94Å; K186-E212 PolarHBondContact NZ-OE2 3.23Å
187	F	88.9	Confident	82.4	Confident	10 Å²	10	68.6 Å²	68.6	4%	0.044	36%	0.362	C	S	.	.	H	α-helix	trans	-64.9	-42	173.7	-89	-131.4	0	0	0	111.3	L163 L166 L183 K184 D185 I190 G191 A192 L197	L163-F187 HydrophobicContact CB-CE1 4.03Å; L163-F187 HydrophobicContact CB-CZ 4.19Å; L163-F187 HydrophobicContact CD1-CD1 4.04Å; L163-F187 HydrophobicContact CD1-CD2 3.85Å; L163-F187 HydrophobicContact CD1-CE1 3.8Å; L163-F187 HydrophobicContact CD1-CE2 3.61Å; L163-F187 HydrophobicContact CD1-CG 4.06Å; L163-F187 HydrophobicContact CD1-CZ 3.58Å; L166-F187 HydrophobicContact CD2-CE2 3.41Å; L166-F187 VanDerWaalsContact CD2-CE2 3.41Å; L166-F187 HydrophobicContact CD2-CZ 3.8Å; L183-F187 WeakPolarHBondContact O-CD2 3.45Å; L183-F187 PolarHBondContact O-N 3.04Å; K184-F187 PolarHBondContact O-N 2.96Å; D185-F187 PolarHBondContact O-N 3.32Å; F187-I190 PolarHBondContact O-N 3.5Å; F187-G191 PolarHBondContact O-N 3.3Å; F187-A192 HydrophobicContact CB-CB 4.07Å; F187-A192 HydrophobicContact CD1-CB 3.93Å; F187-A192 HydrophobicContact CG-CB 4.3Å; F187-A192 WeakPolarHBondContact O-CB 3.47Å; F187-A192 PolarHBondContact O-N 3.05Å; F187-A192 VanDerWaalsContact O-N 3.07Å; F187-L197 HydrophobicContact CD1-CD2 3.97Å; F187-L197 HydrophobicContact CD1-CG 4.17Å; F187-L197 HydrophobicContact CD2-CD1 4.25Å; F187-L197 HydrophobicContact CD2-CD2 4.38Å; F187-L197 HydrophobicContact CD2-CG 4.48Å; F187-L197 HydrophobicContact CE1-CD1 4.21Å; F187-L197 HydrophobicContact CE1-CD2 3.99Å; F187-L197 HydrophobicContact CE1-CG 3.66Å; F187-L197 HydrophobicContact CE2-CD1 3.61Å; F187-L197 HydrophobicContact CE2-CD2 4.38Å; F187-L197 HydrophobicContact CE2-CG 3.99Å; F187-L197 HydrophobicContact CG-CD2 4.19Å; F187-L197 HydrophobicContact CZ-CD1 3.59Å; F187-L197 HydrophobicContact CZ-CD2 4.2Å; F187-L197 HydrophobicContact CZ-CG 3.56Å
188	A	86.2	Confident	82.8	Confident	76 Å²	76	69.1 Å²	69.1	63%	0.628	37%	0.367	S	S	*	.	H	α-helix	trans	-63.6	-41.9	176.1	0	0	0	0	0	111.4	K184 D185 I190 G191	K184-A188 PolarHBondContact O-N 2.82Å; D185-A188 WeakPolarHBondContact O-CB 3.37Å; D185-A188 PolarHBondContact O-N 3.44Å; A188-I190 PolarHBondContact O-N 2.92Å; A188-I190 VanDerWaalsContact O-N 3.17Å; A188-G191 PolarHBondContact O-N 2.86Å; A188-G191 VanDerWaalsContact O-N 3.08Å
189	E	86.6	Confident	83.5	Confident	96 Å²	96	65 Å²	65	45%	0.449	34%	0.337	S	S	.	.	H	α-helix	trans	-61.7	-19.5	175.8	-74.9	177.8	-161	0	0	114.4	D185 K186 K208	D185-E189 WeakPolarHBondContact O-CG 3.47Å; D185-E189 PolarHBondContact O-N 2.85Å; K186-E189 WeakPolarHBondContact CD-OE2 3.46Å; K186-E189 IonicContact NZ-OE1 3.48Å; K186-E189 PolarHBondContact NZ-OE1 3.46Å; K186-E189 IonicContact NZ-OE2 2.98Å; K186-E189 PolarHBondContact NZ-OE2 3.22Å; K186-E189 PolarHBondContact O-N 3.44Å; E189-K208 PolarHBondContact O-NZ 3.21Å
190	I	87.6	Confident	84.1	Confident	19 Å²	19	68.9 Å²	68.9	10%	0.097	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101	-4.7	-179.8	-65.3	171.2	0	0	0	111.4	K186 F187 A188 L197 Q201 L204 F205 K208	K186-I190 WeakPolarHBondContact O-CD1 3.16Å; K186-I190 WeakPolarHBondContact O-CG1 3.46Å; K186-I190 PolarHBondContact O-N 3.4Å; F187-I190 PolarHBondContact O-N 3.5Å; A188-I190 PolarHBondContact O-N 2.92Å; A188-I190 VanDerWaalsContact O-N 3.17Å; I190-L197 HydrophobicContact CG2-CD2 4.32Å; I190-Q201 HydrophobicContact CG2-CB 3.78Å; I190-Q201 HydrophobicContact CG2-CG 3.95Å; I190-L204 HydrophobicContact CG2-CD2 4.38Å; I190-F205 HydrophobicContact CD1-CB 3.37Å; I190-F205 HydrophobicContact CD1-CD2 3.61Å; I190-F205 HydrophobicContact CD1-CG 3.97Å; I190-K208 HydrophobicContact CG1-CD 4.47Å
191	G	83.2	Confident	84.8	Confident	36 Å²	36	67.9 Å²	67.9	37%	0.371	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.7	33.4	-178.8	0	0	0	0	0	113.2	F187 A188 H193 Q201	F187-G191 PolarHBondContact O-N 3.3Å; A188-G191 PolarHBondContact O-N 2.86Å; A188-G191 VanDerWaalsContact O-N 3.08Å; G191-H193 PolarHBondContact O-CD2 3.14Å; G191-H193 PolarHBondContact O-N 3.38Å; G191-Q201 PolarHBondContact O-NE2 3.08Å
192	A	80.4	Confident	85.3	Confident	25 Å²	25	61.2 Å²	61.2	21%	0.207	32%	0.315	C	S	.	.			trans	-69.3	126.4	175.9	0	0	0	0	0	111.1	F187 L197	F187-A192 HydrophobicContact CB-CB 4.07Å; F187-A192 HydrophobicContact CD1-CB 3.93Å; F187-A192 HydrophobicContact CG-CB 4.3Å; F187-A192 WeakPolarHBondContact O-CB 3.47Å; F187-A192 PolarHBondContact O-N 3.05Å; F187-A192 VanDerWaalsContact O-N 3.07Å; A192-L197 HydrophobicContact CB-CD2 3.68Å
193	H	64.3	Low	85.6	Confident	183 Å²	183	60.9 Å²	60.9	85%	0.847	31%	0.313	S	S	*	.	S	Bend	trans	-95.9	-10.9	-175.3	-73.1	-70.5	0	0	0	114.7	G191	G191-H193 PolarHBondContact O-CD2 3.14Å; G191-H193 PolarHBondContact O-N 3.38Å
194	K	68.1	Low	85.8	Confident	179 Å²	179	64.8 Å²	64.8	78%	0.778	33%	0.334	S	S	*	.	S	Bend	trans	-146.8	42.4	-171	-68.6	-171.6	176.7	178.3	0	116.7	E196	K194-E196 WeakPolarHBondContact O-CB 3.3Å; K194-E196 PolarHBondContact O-N 3.16Å
195	E	79.1	Confident	86.2	Confident	113 Å²	113	60 Å²	60	53%	0.528	31%	0.313	S	S	.	.	S	Bend	trans	46.5	25.6	-175	-66.5	-161.4	155.7	0	0	114	S162 L163 K184	S162-E195 WeakPolarHBondContact CA-O 3.43Å; L163-E195 HydrophobicContact CB-CB 4.36Å; L163-E195 PolarHBondContact N-O 2.94Å; K184-E195 IonicContact NZ-OE1 3.88Å
196	E	86.8	Confident	86.5	Confident	61 Å²	61	56.9 Å²	56.9	29%	0.285	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	137.5	-173.2	-176.8	172.1	-149	0	0	107.9	R158 S160 I161 K194	R158-E196 IonicContact CZ-OE1 3.5Å; R158-E196 IonicContact NH1-OE1 3.5Å; R158-E196 PolarHBondContact NH1-OE1 3.05Å; S160-E196 VanDerWaalsContact CB-OE1 3.29Å; S160-E196 WeakPolarHBondContact CB-OE1 3.28Å; S160-E196 PolarHBondContact OG-OE1 3.31Å; I161-E196 WeakPolarHBondContact O-CA 3.32Å; K194-E196 WeakPolarHBondContact O-CB 3.3Å; K194-E196 PolarHBondContact O-N 3.16Å
197	L	89.6	Confident	86.7	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	129	175.9	-58.9	175.9	0	0	0	108.7	S160 I161 L166 F187 I190 A192 Q201 F202 F205	S160-L197 CarbonylContact C-O 3.59Å; S160-L197 WeakPolarHBondContact CA-O 3.34Å; S160-L197 WeakPolarHBondContact CB-O 3.49Å; I161-L197 HydrophobicContact CG2-CB 4.03Å; I161-L197 PolarHBondContact N-O 3.36Å; I161-L197 PolarHBondContact O-N 3.03Å; L166-L197 HydrophobicContact CD2-CD1 4.45Å; F187-L197 HydrophobicContact CD1-CD2 3.97Å; F187-L197 HydrophobicContact CD1-CG 4.17Å; F187-L197 HydrophobicContact CD2-CD1 4.25Å; F187-L197 HydrophobicContact CD2-CD2 4.38Å; F187-L197 HydrophobicContact CD2-CG 4.48Å; F187-L197 HydrophobicContact CE1-CD1 4.21Å; F187-L197 HydrophobicContact CE1-CD2 3.99Å; F187-L197 HydrophobicContact CE1-CG 3.66Å; F187-L197 HydrophobicContact CE2-CD1 3.61Å; F187-L197 HydrophobicContact CE2-CD2 4.38Å; F187-L197 HydrophobicContact CE2-CG 3.99Å; F187-L197 HydrophobicContact CG-CD2 4.19Å; F187-L197 HydrophobicContact CZ-CD1 3.59Å; F187-L197 HydrophobicContact CZ-CD2 4.2Å; F187-L197 HydrophobicContact CZ-CG 3.56Å; I190-L197 HydrophobicContact CG2-CD2 4.32Å; A192-L197 HydrophobicContact CB-CD2 3.68Å; L197-Q201 HydrophobicContact CB-CB 4.03Å; L197-Q201 HydrophobicContact CD2-CB 4.01Å; L197-F202 HydrophobicContact CB-CB 4.28Å; L197-F205 HydrophobicContact CD1-CB 4.15Å; L197-F205 HydrophobicContact CD1-CG 4.3Å
198	S	91.4	Very high	86.7	Confident	41 Å²	41	62.4 Å²	62.4	29%	0.287	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	164.5	160	54.1	0	0	0	0	110.8	E200 Q201 F202	S198-E200 VanDerWaalsContact C-N 3.29Å; S198-E200 PolarHBondContact O-N 3.23Å; S198-Q201 VanDerWaalsContact N-OE1 3.07Å; S198-Q201 PolarHBondContact O-N 3.03Å; S198-Q201 VanDerWaalsContact O-N 3.14Å; S198-Q201 WeakPolarHBondContact OG-CB 3.44Å; S198-Q201 VanDerWaalsContact OG-CD 3.29Å; S198-Q201 VanDerWaalsContact OG-CG 3.23Å; S198-Q201 WeakPolarHBondContact OG-CG 3.47Å; S198-Q201 PolarHBondContact OG-N 2.68Å; S198-Q201 PolarHBondContact OG-OE1 3.12Å; S198-F202 PolarHBondContact O-N 3.32Å
199	F	90.9	Very high	87.1	Confident	12 Å²	12	59.2 Å²	59.2	5%	0.053	29%	0.292	C	S	.	.	H	α-helix	trans	-54.1	-45.1	176.7	180	-107.2	0	0	0	112.6	E143 L146 R147 I150 N159 Q201 F202 H203	E143-F199 HydrophobicContact CG-CE1 3.73Å; E143-F199 HydrophobicContact CG-CZ 3.44Å; E143-F199 VanDerWaalsContact CG-CZ 3.44Å; L146-F199 HydrophobicContact CB-CE2 4.1Å; L146-F199 HydrophobicContact CB-CZ 4.5Å; R147-F199 HydrophobicContact CB-CE2 4.39Å; R147-F199 HydrophobicContact CG-CD2 4.01Å; R147-F199 HydrophobicContact CG-CE2 3.31Å; R147-F199 HydrophobicContact CG-CZ 3.61Å; I150-F199 HydrophobicContact CD1-CD2 3.7Å; I150-F199 HydrophobicContact CD1-CE2 4.4Å; N159-F199 PolarHBondContact O-N 3.23Å; F199-Q201 VanDerWaalsContact C-N 3.31Å; F199-Q201 PolarHBondContact O-N 3.25Å; F199-F202 PolarHBondContact O-N 2.76Å; F199-H203 WeakPolarHBondContact O-CB 2.95Å; F199-H203 PolarHBondContact O-N 3.05Å
200	E	90.9	Very high	87.4	Confident	136 Å²	136	54.8 Å²	54.8	64%	0.636	27%	0.271	S	S	*	.	H	α-helix	trans	-62.4	-40.8	179.3	-61	80.6	-176.2	0	0	111.3	S198 H203 L204	S198-E200 VanDerWaalsContact C-N 3.29Å; S198-E200 PolarHBondContact O-N 3.23Å; E200-H203 PolarHBondContact O-N 3.18Å; E200-L204 PolarHBondContact O-N 2.89Å
201	Q	92.5	Very high	87.5	Confident	48 Å²	48	55.1 Å²	55.1	22%	0.224	27%	0.272	C	S	.	.	H	α-helix	trans	-69.6	-36.2	176.1	-72.1	172.8	-46.1	0	0	112.4	I190 G191 L197 S198 F199 L204 F205	I190-Q201 HydrophobicContact CG2-CB 3.78Å; I190-Q201 HydrophobicContact CG2-CG 3.95Å; G191-Q201 PolarHBondContact O-NE2 3.08Å; L197-Q201 HydrophobicContact CB-CB 4.03Å; L197-Q201 HydrophobicContact CD2-CB 4.01Å; S198-Q201 VanDerWaalsContact N-OE1 3.07Å; S198-Q201 PolarHBondContact O-N 3.03Å; S198-Q201 VanDerWaalsContact O-N 3.14Å; S198-Q201 WeakPolarHBondContact OG-CB 3.44Å; S198-Q201 VanDerWaalsContact OG-CD 3.29Å; S198-Q201 VanDerWaalsContact OG-CG 3.23Å; S198-Q201 WeakPolarHBondContact OG-CG 3.47Å; S198-Q201 PolarHBondContact OG-N 2.68Å; S198-Q201 PolarHBondContact OG-OE1 3.12Å; F199-Q201 VanDerWaalsContact C-N 3.31Å; F199-Q201 PolarHBondContact O-N 3.25Å; Q201-L204 PolarHBondContact O-N 3.21Å; Q201-F205 WeakPolarHBondContact O-CB 3.27Å; Q201-F205 PolarHBondContact O-N 2.98Å
202	F	92.8	Very high	87.9	Confident	8 Å²	8	56.8 Å²	56.8	4%	0.035	27%	0.27	C	S	.	.	H	α-helix	trans	-68.8	-38.7	174.9	176.8	-118.1	0	0	0	112	L146 I150 I161 L166 L197 S198 F199 F205 Y206	L146-F202 HydrophobicContact CB-CD1 4.39Å; L146-F202 HydrophobicContact CB-CE1 4.03Å; L146-F202 HydrophobicContact CD2-CD1 4.28Å; L146-F202 HydrophobicContact CD2-CE1 3.6Å; L146-F202 HydrophobicContact CD2-CZ 4Å; L146-F202 HydrophobicContact CG-CE1 4.41Å; I150-F202 HydrophobicContact CD1-CD1 3.78Å; I150-F202 HydrophobicContact CD1-CE1 4.34Å; I150-F202 HydrophobicContact CD1-CG 4.45Å; I150-F202 HydrophobicContact CG1-CD1 3.9Å; I150-F202 HydrophobicContact CG1-CE1 3.98Å; I161-F202 HydrophobicContact CG2-CB 4.09Å; I161-F202 HydrophobicContact CG2-CD2 3.84Å; I161-F202 HydrophobicContact CG2-CG 3.98Å; L166-F202 HydrophobicContact CD1-CD2 4.14Å; L166-F202 HydrophobicContact CD1-CE2 3.55Å; L197-F202 HydrophobicContact CB-CB 4.28Å; S198-F202 PolarHBondContact O-N 3.32Å; F199-F202 PolarHBondContact O-N 2.76Å; F202-F205 HydrophobicContact CD2-CD1 4.29Å; F202-F205 HydrophobicContact CE2-CD1 4.33Å; F202-F205 WeakPolarHBondContact O-CB 3.43Å; F202-F205 PolarHBondContact O-N 3.11Å; F202-Y206 WeakPolarHBondContact O-CB 3.46Å; F202-Y206 PolarHBondContact O-N 3.45Å
203	H	92	Very high	88.3	Confident	40 Å²	40	59.9 Å²	59.9	19%	0.185	28%	0.28	C	S	.	.	H	α-helix	trans	-63	-44.7	172.4	-170	171.6	0	0	0	110.7	L146 F199 E200 F205 Y206 K207	L146-H203 HydrophobicContact CD1-CB 4.11Å; F199-H203 WeakPolarHBondContact O-CB 2.95Å; F199-H203 PolarHBondContact O-N 3.05Å; E200-H203 PolarHBondContact O-N 3.18Å; H203-F205 VanDerWaalsContact C-N 3.33Å; H203-F205 PolarHBondContact O-N 3.34Å; H203-Y206 WeakPolarHBondContact O-CB 3.22Å; H203-Y206 PolarHBondContact O-N 3Å; H203-K207 VanDerWaalsContact NE2-CE 3.34Å; H203-K207 WeakPolarHBondContact NE2-CE 3.39Å; H203-K207 PolarHBondContact O-N 3.31Å
204	L	91	Very high	89.7	Confident	83 Å²	83	51.1 Å²	51.1	44%	0.435	24%	0.24	S	C	.	.	H	α-helix	trans	-62.6	-39.9	174.5	-176.5	60	0	0	0	112.2	I190 E200 Q201 K207 K208	I190-L204 HydrophobicContact CG2-CD2 4.38Å; E200-L204 PolarHBondContact O-N 2.89Å; Q201-L204 PolarHBondContact O-N 3.21Å; L204-K207 PolarHBondContact O-N 3.4Å; L204-K208 PolarHBondContact O-N 3.3Å
205	F	93	Very high	90.7	Very high	1 Å²	1	48 Å²	48	0%	0.004	23%	0.226	C	C	.	.	H	α-helix	trans	-54.6	-54.9	172.5	176	-95.2	0	0	0	110.1	L166 L170 L183 K186 I190 L197 Q201 F202 H203 K207 K208 I209	L166-F205 HydrophobicContact CD1-CE1 4.2Å; L166-F205 HydrophobicContact CD2-CD1 4.5Å; L166-F205 HydrophobicContact CD2-CE1 3.97Å; L166-F205 HydrophobicContact CD2-CE2 4.33Å; L166-F205 HydrophobicContact CD2-CZ 3.89Å; L170-F205 HydrophobicContact CD1-CE1 4.27Å; L170-F205 HydrophobicContact CD1-CZ 4.17Å; L170-F205 HydrophobicContact CD2-CE1 4.23Å; L183-F205 HydrophobicContact CD2-CZ 4.21Å; K186-F205 HydrophobicContact CB-CD2 4.16Å; K186-F205 HydrophobicContact CB-CE2 3.7Å; K186-F205 HydrophobicContact CG-CE2 4.3Å; I190-F205 HydrophobicContact CD1-CB 3.37Å; I190-F205 HydrophobicContact CD1-CD2 3.61Å; I190-F205 HydrophobicContact CD1-CG 3.97Å; L197-F205 HydrophobicContact CD1-CB 4.15Å; L197-F205 HydrophobicContact CD1-CG 4.3Å; Q201-F205 WeakPolarHBondContact O-CB 3.27Å; Q201-F205 PolarHBondContact O-N 2.98Å; F202-F205 HydrophobicContact CD2-CD1 4.29Å; F202-F205 HydrophobicContact CE2-CD1 4.33Å; F202-F205 WeakPolarHBondContact O-CB 3.43Å; F202-F205 PolarHBondContact O-N 3.11Å; H203-F205 VanDerWaalsContact C-N 3.33Å; H203-F205 PolarHBondContact O-N 3.34Å; F205-K207 PolarHBondContact O-N 3.01Å; F205-K208 PolarHBondContact O-N 2.87Å; F205-I209 HydrophobicContact CD1-CD1 3.7Å; F205-I209 HydrophobicContact CD1-CG1 4.07Å; F205-I209 HydrophobicContact CE1-CD1 3.31Å; F205-I209 HydrophobicContact CE1-CG1 3.96Å; F205-I209 HydrophobicContact CZ-CD1 4.02Å; F205-I209 HydrophobicContact CZ-CG1 4.39Å; F205-I209 WeakPolarHBondContact O-CG1 3.49Å; F205-I209 PolarHBondContact O-N 3.3Å
206	Y	93.8	Very high	91.1	Very high	13 Å²	13	45.2 Å²	45.2	5%	0.051	22%	0.219	C	C	.	.	H	α-helix	trans	-54.4	-49.1	177.3	170.6	-93.6	0	0	0	112.6	T142 W145 L146 F202 H203 K208 I209 M210 H1072	T142-Y206 HydrophobicContact CG2-CD1 4.29Å; T142-Y206 HydrophobicContact CG2-CE1 3.56Å; W145-Y206 HydrophobicContact CZ3-CD2 4.18Å; W145-Y206 AromaticContact CZ3-CE2 3.85Å; W145-Y206 HydrophobicContact CZ3-CE2 3.85Å; L146-Y206 HydrophobicContact CD1-CD1 4.06Å; L146-Y206 HydrophobicContact CD1-CG 4.22Å; L146-Y206 HydrophobicContact CD2-CD1 4.23Å; L146-Y206 HydrophobicContact CD2-CD2 3.73Å; L146-Y206 HydrophobicContact CD2-CE2 4.37Å; L146-Y206 HydrophobicContact CD2-CG 3.63Å; L146-Y206 HydrophobicContact CG-CG 4.46Å; F202-Y206 WeakPolarHBondContact O-CB 3.46Å; F202-Y206 PolarHBondContact O-N 3.45Å; H203-Y206 WeakPolarHBondContact O-CB 3.22Å; H203-Y206 PolarHBondContact O-N 3Å; Y206-K208 VanDerWaalsContact C-N 3.31Å; Y206-K208 PolarHBondContact O-N 3.48Å; Y206-I209 WeakPolarHBondContact O-CG1 3.45Å; Y206-I209 PolarHBondContact O-N 3.36Å; Y206-M210 HydrophobicContact CD1-CG 4.26Å; Y206-M210 HydrophobicContact CD2-CG 4.05Å; Y206-M210 HydrophobicContact CE1-CG 3.85Å; Y206-M210 HydrophobicContact CE2-CE 4.48Å; Y206-M210 HydrophobicContact CE2-CG 3.66Å; Y206-M210 HydrophobicContact CE2-SD 3.86Å; Y206-M210 HydrophobicContact CG-CG 4.34Å; Y206-M210 WeakPolarHBondContact O-CG 3.45Å; Y206-M210 PolarHBondContact O-N 3.08Å; Y206-H1072 AromaticContact CE2-NE2 3.74Å; Y206-H1072 AromaticContact CZ-NE2 3.68Å; Y206-H1072 PolarHBondContact OH-CE1 3.24Å; Y206-H1072 PolarHBondContact OH-NE2 3.49Å
207	K	91.2	Very high	91.2	Very high	74 Å²	74	42.6 Å²	42.6	32%	0.322	21%	0.207	S	C	.	.	H	α-helix	trans	-57.3	-44.6	178.4	-74.8	-171.6	175	-167.4	0	111.9	H203 L204 F205 M210 F211	H203-K207 VanDerWaalsContact NE2-CE 3.34Å; H203-K207 WeakPolarHBondContact NE2-CE 3.39Å; H203-K207 PolarHBondContact O-N 3.31Å; L204-K207 PolarHBondContact O-N 3.4Å; F205-K207 PolarHBondContact O-N 3.01Å; K207-M210 PolarHBondContact O-N 3.18Å; K207-F211 VanDerWaalsContact O-CB 3.31Å; K207-F211 WeakPolarHBondContact O-CB 3.31Å; K207-F211 PolarHBondContact O-N 3.15Å
208	K	90.4	Very high	91	Very high	67 Å²	67	42.8 Å²	42.8	29%	0.291	21%	0.208	S	C	.	.	H	α-helix	trans	-62.6	-48.9	178.7	-78.6	-170.4	170.7	-170.7	0	112.8	E189 I190 L204 F205 Y206 M210 F211 E212	E189-K208 PolarHBondContact O-NZ 3.21Å; I190-K208 HydrophobicContact CG1-CD 4.47Å; L204-K208 PolarHBondContact O-N 3.3Å; F205-K208 PolarHBondContact O-N 2.87Å; Y206-K208 VanDerWaalsContact C-N 3.31Å; Y206-K208 PolarHBondContact O-N 3.48Å; K208-M210 VanDerWaalsContact C-N 3.33Å; K208-M210 PolarHBondContact O-N 3.08Å; K208-F211 PolarHBondContact O-N 3.47Å; K208-E212 WeakPolarHBondContact O-CB 3.5Å; K208-E212 VanDerWaalsContact O-CG 3.31Å; K208-E212 WeakPolarHBondContact O-CG 3.5Å; K208-E212 PolarHBondContact O-N 2.92Å
209	I	92.9	Very high	90.6	Very high	9 Å²	9	44 Å²	44	5%	0.046	21%	0.211	C	C	.	.	H	α-helix	trans	-63.3	-38.5	179	17.7	157.9	0	0	0	112.1	L170 F175 F182 F205 Y206 Q213 N1110	L170-I209 HydrophobicContact CD2-CD1 4.37Å; F175-I209 HydrophobicContact CE2-CG2 4.4Å; F175-I209 HydrophobicContact CZ-CG2 3.94Å; F182-I209 HydrophobicContact CZ-CG2 4.3Å; F205-I209 HydrophobicContact CD1-CD1 3.7Å; F205-I209 HydrophobicContact CD1-CG1 4.07Å; F205-I209 HydrophobicContact CE1-CD1 3.31Å; F205-I209 HydrophobicContact CE1-CG1 3.96Å; F205-I209 HydrophobicContact CZ-CD1 4.02Å; F205-I209 HydrophobicContact CZ-CG1 4.39Å; F205-I209 WeakPolarHBondContact O-CG1 3.49Å; F205-I209 PolarHBondContact O-N 3.3Å; Y206-I209 WeakPolarHBondContact O-CG1 3.45Å; Y206-I209 PolarHBondContact O-N 3.36Å; I209-Q213 WeakPolarHBondContact O-CB 3.31Å; I209-Q213 PolarHBondContact O-N 2.75Å; I209-N1110 PolarHBondContact O-ND2 3.48Å
210	M	93.3	Very high	90	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.015	22%	0.215	C	C	.	.	H	α-helix	trans	-65	-45.5	175.3	-62.7	-57.7	-76.9	0	0	111.8	Y206 K207 K208 Q214 R1071 L1109 N1110	Y206-M210 HydrophobicContact CD1-CG 4.26Å; Y206-M210 HydrophobicContact CD2-CG 4.05Å; Y206-M210 HydrophobicContact CE1-CG 3.85Å; Y206-M210 HydrophobicContact CE2-CE 4.48Å; Y206-M210 HydrophobicContact CE2-CG 3.66Å; Y206-M210 HydrophobicContact CE2-SD 3.86Å; Y206-M210 HydrophobicContact CG-CG 4.34Å; Y206-M210 WeakPolarHBondContact O-CG 3.45Å; Y206-M210 PolarHBondContact O-N 3.08Å; K207-M210 PolarHBondContact O-N 3.18Å; K208-M210 VanDerWaalsContact C-N 3.33Å; K208-M210 PolarHBondContact O-N 3.08Å; M210-Q214 WeakPolarHBondContact O-CB 3.44Å; M210-Q214 WeakPolarHBondContact O-CG 3.46Å; M210-Q214 PolarHBondContact O-N 2.89Å; M210-R1071 HydrophobicContact CE-CB 4.04Å; M210-R1071 VanDerWaalsContact CE-CD 3.44Å; M210-R1071 HydrophobicContact CE-CG 3.51Å; M210-L1109 HydrophobicContact SD-CD1 4.41Å; M210-L1109 HydrophobicContact SD-CD2 4.2Å; M210-L1109 HydrophobicContact SD-CG 3.96Å; M210-N1110 HydrophobicContact CE-CB 3.83Å; M210-N1110 HydrophobicContact SD-CB 3.76Å
211	F	91	Very high	89.4	Confident	25 Å²	25	38.4 Å²	38.4	11%	0.11	19%	0.185	C	C	.	.	H	α-helix	trans	-68.8	-49.5	-179	-178.5	-104.3	0	0	0	112.8	K207 K208 Q213 Q214 K215 L218 D237 V287 D288 L291	K207-F211 VanDerWaalsContact O-CB 3.31Å; K207-F211 WeakPolarHBondContact O-CB 3.31Å; K207-F211 PolarHBondContact O-N 3.15Å; K208-F211 PolarHBondContact O-N 3.47Å; F211-Q213 VanDerWaalsContact C-N 3.25Å; F211-Q213 PolarHBondContact O-N 3.49Å; F211-Q214 PolarHBondContact O-N 3.11Å; F211-Q214 VanDerWaalsContact O-N 3.1Å; F211-K215 HydrophobicContact CE1-CB 4.28Å; F211-K215 HydrophobicContact CE2-CB 4.4Å; F211-K215 HydrophobicContact CZ-CB 4.18Å; F211-K215 WeakPolarHBondContact O-CB 3.42Å; F211-K215 PolarHBondContact O-N 3.35Å; F211-L218 HydrophobicContact CE2-CD1 4.09Å; F211-L218 HydrophobicContact CZ-CD1 4.39Å; F211-D237 HydrophobicContact CE1-CB 4.19Å; F211-V287 HydrophobicContact CE2-CG1 4.1Å; F211-V287 HydrophobicContact CZ-CG1 4.43Å; F211-D288 HydrophobicContact CB-CB 4.37Å; F211-D288 HydrophobicContact CD2-CB 3.61Å; F211-D288 HydrophobicContact CE2-CB 4.1Å; F211-D288 HydrophobicContact CG-CB 4.08Å; F211-L291 HydrophobicContact CD2-CD2 3.92Å; F211-L291 HydrophobicContact CE2-CD2 4.37Å
212	E	89.9	Confident	88.3	Confident	72 Å²	72	41.9 Å²	41.9	34%	0.336	20%	0.2	S	C	.	.	H	α-helix	trans	-58.6	-38	-176.8	-76.5	175.5	-159	0	0	112.7	K186 K208	K186-E212 WeakPolarHBondContact CE-OE2 3.34Å; K186-E212 IonicContact NZ-OE1 3.59Å; K186-E212 PolarHBondContact NZ-OE1 3.23Å; K186-E212 IonicContact NZ-OE2 2.94Å; K186-E212 PolarHBondContact NZ-OE2 3.23Å; K208-E212 WeakPolarHBondContact O-CB 3.5Å; K208-E212 VanDerWaalsContact O-CG 3.31Å; K208-E212 WeakPolarHBondContact O-CG 3.5Å; K208-E212 PolarHBondContact O-N 2.92Å
213	Q	90.3	Very high	86.8	Confident	89 Å²	89	48 Å²	48	42%	0.416	23%	0.227	S	C	.	.	H	α-helix	trans	-72.4	-35.3	178.6	-172.2	62.2	33.9	0	0	112.3	I209 F211 N1110	I209-Q213 WeakPolarHBondContact O-CB 3.31Å; I209-Q213 PolarHBondContact O-N 2.75Å; F211-Q213 VanDerWaalsContact C-N 3.25Å; F211-Q213 PolarHBondContact O-N 3.49Å; Q213-N1110 WeakPolarHBondContact CG-O 2.88Å
214	Q	92.4	Very high	85.1	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-106.9	-3.6	-169.1	-62.1	-176.1	-40.8	0	0	114.5	M210 F211 S216 I217 L291 A1070 R1071 N1110 V1112	M210-Q214 WeakPolarHBondContact O-CB 3.44Å; M210-Q214 WeakPolarHBondContact O-CG 3.46Å; M210-Q214 PolarHBondContact O-N 2.89Å; F211-Q214 PolarHBondContact O-N 3.11Å; F211-Q214 VanDerWaalsContact O-N 3.1Å; Q214-S216 PolarHBondContact O-N 3.27Å; Q214-S216 VanDerWaalsContact O-N 3.1Å; Q214-I217 HydrophobicContact CB-CD1 4.15Å; Q214-I217 VanDerWaalsContact O-CB 3.29Å; Q214-I217 WeakPolarHBondContact O-CB 3.38Å; Q214-I217 WeakPolarHBondContact O-CG1 3.49Å; Q214-I217 PolarHBondContact O-N 3.49Å; Q214-L291 HydrophobicContact CB-CD2 3.91Å; Q214-A1070 PolarHBondContact NE2-O 3.4Å; Q214-R1071 VanDerWaalsContact OE1-CZ 3.26Å; Q214-N1110 HydrophobicContact CG-CB 4.28Å; Q214-V1112 HydrophobicContact CB-CG2 4.26Å; Q214-V1112 HydrophobicContact CG-CG2 3.79Å
215	K	88.8	Confident	83.2	Confident	112 Å²	112	52.8 Å²	52.8	49%	0.487	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-58.7	-23.1	179.8	67.4	-176.3	177.3	-177.8	0	114.1	F211 I217 L218	F211-K215 HydrophobicContact CE1-CB 4.28Å; F211-K215 HydrophobicContact CE2-CB 4.4Å; F211-K215 HydrophobicContact CZ-CB 4.18Å; F211-K215 WeakPolarHBondContact O-CB 3.42Å; F211-K215 PolarHBondContact O-N 3.35Å; K215-I217 PolarHBondContact O-N 3.11Å; K215-L218 VanDerWaalsContact O-CB 3.23Å; K215-L218 WeakPolarHBondContact O-CB 3.47Å; K215-L218 WeakPolarHBondContact O-CG 3.33Å; K215-L218 PolarHBondContact O-N 2.88Å
216	S	88.5	Confident	81.5	Confident	56 Å²	56	52.9 Å²	52.9	39%	0.392	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-64.2	-23.9	175.1	53.5	0	0	0	0	112.8	Q214 L218 D219	Q214-S216 PolarHBondContact O-N 3.27Å; Q214-S216 VanDerWaalsContact O-N 3.1Å; S216-L218 PolarHBondContact O-N 3.49Å; S216-D219 VanDerWaalsContact O-CB 3.29Å; S216-D219 WeakPolarHBondContact O-CB 3.34Å; S216-D219 PolarHBondContact O-N 3.26Å
217	I	88.8	Confident	80	Confident	6 Å²	6	55.4 Å²	55.4	3%	0.031	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-60.7	-30.3	172.9	-61.4	175.5	0	0	0	110.4	Q214 K215 D219 E220 F295 L1068 V1112 L1181	Q214-I217 HydrophobicContact CB-CD1 4.15Å; Q214-I217 VanDerWaalsContact O-CB 3.29Å; Q214-I217 WeakPolarHBondContact O-CB 3.38Å; Q214-I217 WeakPolarHBondContact O-CG1 3.49Å; Q214-I217 PolarHBondContact O-N 3.49Å; K215-I217 PolarHBondContact O-N 3.11Å; I217-D219 PolarHBondContact O-N 3.14Å; I217-E220 WeakPolarHBondContact O-CB 3.46Å; I217-E220 PolarHBondContact O-N 3.14Å; I217-E220 VanDerWaalsContact O-N 3.16Å; I217-F295 HydrophobicContact CD1-CE2 4.22Å; I217-F295 HydrophobicContact CD1-CZ 4.05Å; I217-L1068 HydrophobicContact CG2-CB 4.45Å; I217-L1068 HydrophobicContact CG2-CD1 4.22Å; I217-V1112 HydrophobicContact CD1-CG1 4.45Å; I217-V1112 HydrophobicContact CD1-CG2 4.28Å; I217-V1112 HydrophobicContact CG1-CG1 4.03Å; I217-V1112 HydrophobicContact CG1-CG2 4.48Å; I217-L1181 HydrophobicContact CD1-CD2 4.26Å; I217-L1181 HydrophobicContact CG2-CD2 3.88Å
218	L	85.5	Confident	78.6	Confident	4 Å²	4	54.7 Å²	54.7	2%	0.021	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-66	-19.3	178.4	-57.9	173.1	0	0	0	112.7	F211 K215 S216 E220 F221 L230 V287 L291	F211-L218 HydrophobicContact CE2-CD1 4.09Å; F211-L218 HydrophobicContact CZ-CD1 4.39Å; K215-L218 VanDerWaalsContact O-CB 3.23Å; K215-L218 WeakPolarHBondContact O-CB 3.47Å; K215-L218 WeakPolarHBondContact O-CG 3.33Å; K215-L218 PolarHBondContact O-N 2.88Å; S216-L218 PolarHBondContact O-N 3.49Å; L218-E220 PolarHBondContact O-N 2.88Å; L218-F221 HydrophobicContact CD2-CD2 4.39Å; L218-F221 PolarHBondContact O-N 3.11Å; L218-L230 HydrophobicContact CB-CD1 4.24Å; L218-L230 HydrophobicContact CB-CD2 4.26Å; L218-L230 HydrophobicContact CD1-CD2 4.34Å; L218-L230 HydrophobicContact CD2-CD2 4.37Å; L218-L230 VanDerWaalsContact O-CD1 3.28Å; L218-L230 WeakPolarHBondContact O-CD1 3.44Å; L218-V287 HydrophobicContact CD1-CG1 3.43Å; L218-V287 VanDerWaalsContact CD1-CG1 3.43Å; L218-V287 HydrophobicContact CD2-CG1 4.37Å; L218-L291 HydrophobicContact CD2-CD1 4.37Å
219	D	81.9	Confident	77.3	Confident	65 Å²	65	51.7 Å²	51.7	35%	0.348	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-64.3	-19.4	176	-64	-32.4	0	0	0	112.5	S216 I217 F221 K222	S216-D219 VanDerWaalsContact O-CB 3.29Å; S216-D219 WeakPolarHBondContact O-CB 3.34Å; S216-D219 PolarHBondContact O-N 3.26Å; I217-D219 PolarHBondContact O-N 3.14Å; D219-F221 VanDerWaalsContact C-N 3.29Å; D219-F221 PolarHBondContact O-N 3.3Å; D219-K222 PolarHBondContact O-N 2.91Å; D219-K222 WeakPolarHBondContact OD1-CE 3.36Å; D219-K222 IonicContact OD1-NZ 2.78Å; D219-K222 PolarHBondContact OD1-NZ 3.42Å
220	E	79.6	Confident	75.9	Confident	29 Å²	29	51.9 Å²	51.9	14%	0.136	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-65.9	-31.4	172.5	-67.1	-63.2	112.9	0	0	112.3	I217 L218 K222 K223 R1066 F1162	I217-E220 WeakPolarHBondContact O-CB 3.46Å; I217-E220 PolarHBondContact O-N 3.14Å; I217-E220 VanDerWaalsContact O-N 3.16Å; L218-E220 PolarHBondContact O-N 2.88Å; E220-K222 VanDerWaalsContact C-N 3.29Å; E220-K222 PolarHBondContact O-N 3.5Å; E220-K223 IonicContact OE1-NZ 3.29Å; E220-K223 PolarHBondContact OE1-NZ 2.91Å; E220-R1066 IonicContact OE2-CZ 3.56Å; E220-R1066 IonicContact OE2-NH1 3.41Å; E220-R1066 PolarHBondContact OE2-NH1 3.07Å; E220-R1066 IonicContact OE2-NH2 3.95Å; E220-F1162 HydrophobicContact CB-CE1 4.31Å; E220-F1162 HydrophobicContact CB-CZ 4.4Å
221	F	78.1	Confident	74.1	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.009	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-81.5	-8.5	177.6	-58.6	-81.9	0	0	0	113.1	L218 D219 S226 I229 L230 F249 F290 L294 F1162	L218-F221 HydrophobicContact CD2-CD2 4.39Å; L218-F221 PolarHBondContact O-N 3.11Å; D219-F221 VanDerWaalsContact C-N 3.29Å; D219-F221 PolarHBondContact O-N 3.3Å; F221-S226 CarbonylContact O-C 3.55Å; F221-I229 HydrophobicContact CD1-CD1 3.87Å; F221-I229 HydrophobicContact CE1-CD1 4.27Å; F221-L230 HydrophobicContact CB-CD1 3.85Å; F221-L230 HydrophobicContact CB-CG 4.39Å; F221-F249 HydrophobicContact CE1-CD2 4.33Å; F221-F249 AromaticContact CE1-CE2 3.96Å; F221-F249 HydrophobicContact CE1-CE2 3.96Å; F221-F249 HydrophobicContact CZ-CE2 4.39Å; F221-F290 HydrophobicContact CE2-CE1 4.41Å; F221-F290 HydrophobicContact CZ-CE1 4.34Å; F221-F290 HydrophobicContact CZ-CZ 4.49Å; F221-L294 HydrophobicContact CE2-CD1 4.07Å; F221-L294 HydrophobicContact CZ-CD1 4.05Å; F221-F1162 HydrophobicContact CD1-CE2 4.36Å; F221-F1162 HydrophobicContact CD1-CZ 4.5Å; F221-F1162 AromaticContact CE1-CD2 3.8Å; F221-F1162 HydrophobicContact CE1-CD2 3.8Å; F221-F1162 HydrophobicContact CE1-CE1 4.39Å; F221-F1162 AromaticContact CE1-CE2 3.55Å; F221-F1162 HydrophobicContact CE1-CE2 3.55Å; F221-F1162 HydrophobicContact CE1-CG 4.32Å; F221-F1162 AromaticContact CE1-CZ 3.87Å; F221-F1162 HydrophobicContact CE1-CZ 3.87Å; F221-F1162 HydrophobicContact CE2-CE1 4.47Å; F221-F1162 AromaticContact CZ-CD1 3.99Å; F221-F1162 HydrophobicContact CZ-CD1 3.99Å; F221-F1162 AromaticContact CZ-CD2 3.91Å; F221-F1162 HydrophobicContact CZ-CD2 3.91Å; F221-F1162 AromaticContact CZ-CE1 3.98Å; F221-F1162 HydrophobicContact CZ-CE1 3.98Å; F221-F1162 AromaticContact CZ-CE2 3.91Å; F221-F1162 HydrophobicContact CZ-CE2 3.91Å; F221-F1162 AromaticContact CZ-CG 3.95Å; F221-F1162 HydrophobicContact CZ-CG 3.95Å; F221-F1162 AromaticContact CZ-CZ 3.93Å; F221-F1162 HydrophobicContact CZ-CZ 3.93Å
222	K	69.9	Low	72.3	Confident	121 Å²	121	60 Å²	60	53%	0.526	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-85.3	-15.4	177.7	-63.6	-179.3	-176	162.3	0	113.7	D219 E220 L230	D219-K222 PolarHBondContact O-N 2.91Å; D219-K222 WeakPolarHBondContact OD1-CE 3.36Å; D219-K222 IonicContact OD1-NZ 2.78Å; D219-K222 PolarHBondContact OD1-NZ 3.42Å; E220-K222 VanDerWaalsContact C-N 3.29Å; E220-K222 PolarHBondContact O-N 3.5Å; K222-L230 HydrophobicContact CG-CD1 3.66Å
223	K	60.3	Low	70.6	Confident	138 Å²	138	59.9 Å²	59.9	60%	0.6	32%	0.322	S	S	*	.	S	Bend	trans	-90.4	-16.6	-168.2	-67.1	171.6	-171.6	166.7	0	114.6	E220	E220-K223 IonicContact OE1-NZ 3.29Å; E220-K223 PolarHBondContact OE1-NZ 2.91Å
224	D	56.4	Low	68.9	Low	125 Å²	125	63.9 Å²	63.9	67%	0.668	35%	0.346	S	S	*	.	S	Bend	trans	-145.4	-165.2	-171.1	-95.8	-41.3	0	0	0	113.6	S226 V227	D224-S226 PolarHBondContact O-N 3.41Å; D224-V227 VanDerWaalsContact O-CG2 3.28Å; D224-V227 WeakPolarHBondContact O-CG2 3.47Å; D224-V227 PolarHBondContact O-N 3.35Å
225	S	50.6	Low	67.2	Low	98 Å²	98	72.4 Å²	72.4	69%	0.685	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	-3.5	-178.3	45.6	0	0	0	0	117.7	F228	S225-F228 VanDerWaalsContact O-CD1 3.27Å; S225-F228 WeakPolarHBondContact O-CD1 3.41Å; S225-F228 WeakPolarHBondContact O-CE1 3.32Å
226	S	58.4	Low	65.7	Low	3 Å²	3	69.3 Å²	69.3	2%	0.021	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	6.9	179.8	-92.6	0	0	0	0	115.1	F221 D224 F228 I229 E253	F221-S226 CarbonylContact O-C 3.55Å; D224-S226 PolarHBondContact O-N 3.41Å; S226-F228 PolarHBondContact O-N 3.03Å; S226-I229 WeakPolarHBondContact O-CB 3.36Å; S226-I229 PolarHBondContact O-N 3.33Å; S226-E253 WeakPolarHBondContact OG-CG 3.4Å; S226-E253 PolarHBondContact OG-OE1 2.91Å
227	V	61.7	Low	64.1	Low	66 Å²	66	71.4 Å²	71.4	40%	0.4	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-51.4	-29.2	178.4	-176.7	0	0	0	0	112.8	D224 I229 L230 G231	D224-V227 VanDerWaalsContact O-CG2 3.28Å; D224-V227 WeakPolarHBondContact O-CG2 3.47Å; D224-V227 PolarHBondContact O-N 3.35Å; V227-I229 PolarHBondContact O-N 3.05Å; V227-L230 PolarHBondContact O-N 3.18Å; V227-G231 PolarHBondContact O-N 3.05Å
228	F	61.8	Low	62.7	Low	58 Å²	58	74.4 Å²	74.4	25%	0.254	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-61.5	-22.3	178.1	70.7	-92.5	0	0	0	113.8	S225 S226 D245 R248	S225-F228 VanDerWaalsContact O-CD1 3.27Å; S225-F228 WeakPolarHBondContact O-CD1 3.41Å; S225-F228 WeakPolarHBondContact O-CE1 3.32Å; S226-F228 PolarHBondContact O-N 3.03Å; F228-D245 HydrophobicContact CD2-CB 3.96Å; F228-D245 HydrophobicContact CE2-CB 4.23Å; F228-D245 WeakPolarHBondContact CE2-O 3.41Å; F228-R248 HydrophobicContact CD2-CB 4.36Å; F228-R248 HydrophobicContact CE1-CB 4.36Å; F228-R248 HydrophobicContact CE2-CB 3.48Å; F228-R248 VanDerWaalsContact CE2-CB 3.48Å; F228-R248 HydrophobicContact CE2-CG 4.46Å; F228-R248 HydrophobicContact CZ-CB 3.49Å; F228-R248 VanDerWaalsContact CZ-CB 3.49Å
229	I	63.5	Low	62.1	Low	5 Å²	5	75.2 Å²	75.2	3%	0.026	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-72.7	-33.3	-179.2	-61.7	177.3	0	0	0	111.8	F221 S226 V227 I241 F249 F290	F221-I229 HydrophobicContact CD1-CD1 3.87Å; F221-I229 HydrophobicContact CE1-CD1 4.27Å; S226-I229 WeakPolarHBondContact O-CB 3.36Å; S226-I229 PolarHBondContact O-N 3.33Å; V227-I229 PolarHBondContact O-N 3.05Å; I229-I241 HydrophobicContact CG2-CD1 3.75Å; I229-I241 HydrophobicContact CG2-CG1 4.23Å; I229-I241 WeakPolarHBondContact O-CG1 3.4Å; I229-F249 HydrophobicContact CD1-CB 3.87Å; I229-F249 HydrophobicContact CD1-CD2 3.68Å; I229-F249 HydrophobicContact CD1-CG 4.15Å; I229-F290 HydrophobicContact CG2-CD1 4.47Å; I229-F290 HydrophobicContact CG2-CE1 3.92Å; I229-F290 HydrophobicContact CG2-CZ 4.16Å
230	L	63.3	Low	62.1	Low	12 Å²	12	73.8 Å²	73.8	6%	0.063	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-17.7	-174.5	-67.6	171.3	0	0	0	113.6	L218 F221 K222 V227 T233 V287	L218-L230 HydrophobicContact CB-CD1 4.24Å; L218-L230 HydrophobicContact CB-CD2 4.26Å; L218-L230 HydrophobicContact CD1-CD2 4.34Å; L218-L230 HydrophobicContact CD2-CD2 4.37Å; L218-L230 VanDerWaalsContact O-CD1 3.28Å; L218-L230 WeakPolarHBondContact O-CD1 3.44Å; F221-L230 HydrophobicContact CB-CD1 3.85Å; F221-L230 HydrophobicContact CB-CG 4.39Å; K222-L230 HydrophobicContact CG-CD1 3.66Å; V227-L230 PolarHBondContact O-N 3.18Å; L230-T233 PolarHBondContact O-OG1 3.47Å; L230-V287 HydrophobicContact CD2-CG1 4.26Å
231	G	55.4	Low	62.4	Low	38 Å²	38	72.5 Å²	72.5	39%	0.392	40%	0.399	S	S	.	.			trans	62.5	161.4	-170.8	0	0	0	0	0	112.8	V227 T233	V227-G231 PolarHBondContact O-N 3.05Å; G231-T233 PolarHBondContact O-N 3.33Å
232	N	53.3	Low	62.9	Low	162 Å²	162	77.4 Å²	77.4	87%	0.866	42%	0.422	S	S	*	.	S	Bend	trans	-77.9	64.2	170.4	-79.8	-13.1	0	0	0	110
233	T	53.9	Low	63.9	Low	69 Å²	69	71.8 Å²	71.8	42%	0.423	40%	0.398	S	S	.	.			trans	-121.8	135	-176.7	67.1	0	0	0	0	111.8	L230 G231 R235 S239	L230-T233 PolarHBondContact O-OG1 3.47Å; G231-T233 PolarHBondContact O-N 3.33Å; T233-R235 PolarHBondContact O-N 2.88Å; T233-S239 PolarHBondContact OG1-OG 3.24Å
234	D	53.9	Low	65.3	Low	172 Å²	172	69.7 Å²	69.7	92%	0.92	39%	0.39	S	S	*	.	S	Bend	trans	-75.8	1.4	176.7	-62.5	-36.5	0	0	0	112.9
235	R	56.7	Low	66.8	Low	180 Å²	180	65.3 Å²	65.3	68%	0.679	37%	0.367	S	S	*	.			trans	-129.8	73.5	-179.2	-68.2	-164.5	-175.2	-173.3	1.6	112.2	T233 D237 A238 S239	T233-R235 PolarHBondContact O-N 2.88Å; R235-D237 VanDerWaalsContact C-OD1 3.32Å; R235-D237 WeakPolarHBondContact CA-OD1 3.37Å; R235-D237 PolarHBondContact O-N 2.78Å; R235-D237 VanDerWaalsContact O-N 3.17Å; R235-A238 HydrophobicContact CB-CB 4.31Å; R235-A238 PolarHBondContact O-N 2.9Å; R235-A238 VanDerWaalsContact O-N 3.11Å; R235-S239 PolarHBondContact O-OG 3.08Å
236	P	58	Low	68.7	Low	46 Å²	46	60.7 Å²	60.7	30%	0.299	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-61.4	-22.2	179.9	22.6	-31.8	0	0	0	113.5	A238 V287	P236-A238 VanDerWaalsContact C-N 3.31Å; P236-A238 PolarHBondContact O-N 3.09Å; P236-V287 WeakPolarHBondContact O-CB 3.38Å; P236-V287 VanDerWaalsContact O-CG2 3.24Å; P236-V287 WeakPolarHBondContact O-CG2 3.35Å
237	D	55.5	Low	70.4	Confident	101 Å²	101	62 Å²	62	54%	0.54	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-72	-17.8	176	59.2	-37.6	0	0	0	114.5	F211 R235	F211-D237 HydrophobicContact CE1-CB 4.19Å; R235-D237 VanDerWaalsContact C-OD1 3.32Å; R235-D237 WeakPolarHBondContact CA-OD1 3.37Å; R235-D237 PolarHBondContact O-N 2.78Å; R235-D237 VanDerWaalsContact O-N 3.17Å
238	A	57.9	Low	71.7	Confident	69 Å²	69	64.7 Å²	64.7	57%	0.57	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-109.1	1.3	179.1	0	0	0	0	0	113.3	R235 P236	R235-A238 HydrophobicContact CB-CB 4.31Å; R235-A238 PolarHBondContact O-N 2.9Å; R235-A238 VanDerWaalsContact O-N 3.11Å; P236-A238 VanDerWaalsContact C-N 3.31Å; P236-A238 PolarHBondContact O-N 3.09Å
239	S	74.3	Confident	73.1	Confident	21 Å²	21	62 Å²	62	15%	0.147	33%	0.331	C	S	.	.			trans	-83.6	147.6	-178.5	-69.7	0	0	0	0	111.4	T233 R235 V287	T233-S239 PolarHBondContact OG1-OG 3.24Å; R235-S239 PolarHBondContact O-OG 3.08Å; S239-V287 WeakPolarHBondContact O-CG2 3.25Å; S239-V287 PolarHBondContact O-N 3.2Å
240	A	81.4	Confident	74.5	Confident	35 Å²	35	61.8 Å²	61.8	29%	0.289	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	137.8	178.9	0	0	0	0	0	110.1	F284 L285	A240-F284 HydrophobicContact CB-CD2 3.79Å; A240-F284 HydrophobicContact CB-CE2 4.42Å; A240-L285 CarbonylContact C-O 3.59Å; A240-L285 WeakPolarHBondContact CA-O 3.42Å
241	I	86.9	Confident	75.8	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.005	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	109	172.2	-65.7	162.6	0	0	0	107.1	I229 D245 F246 F284 L285 V287 F290	I229-I241 HydrophobicContact CG2-CD1 3.75Å; I229-I241 HydrophobicContact CG2-CG1 4.23Å; I229-I241 WeakPolarHBondContact O-CG1 3.4Å; I241-D245 HydrophobicContact CG2-CB 4.23Å; I241-F246 HydrophobicContact CG2-CB 4.03Å; I241-F284 WeakPolarHBondContact O-CA 3.25Å; I241-L285 PolarHBondContact N-O 2.8Å; I241-L285 PolarHBondContact O-N 2.77Å; I241-V287 HydrophobicContact CD1-CG2 4.49Å; I241-F290 HydrophobicContact CD1-CB 3.41Å; I241-F290 VanDerWaalsContact CD1-CB 3.41Å; I241-F290 HydrophobicContact CD1-CD1 3.5Å; I241-F290 HydrophobicContact CD1-CD2 3.78Å; I241-F290 HydrophobicContact CD1-CE1 4.17Å; I241-F290 HydrophobicContact CD1-CE2 4.41Å; I241-F290 HydrophobicContact CD1-CG 3.26Å
242	H	88.3	Confident	77.3	Confident	106 Å²	106	67.9 Å²	67.9	49%	0.491	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	164.5	180	-65.7	-73.2	0	0	0	111.7	H244 D245 F246	H242-H244 VanDerWaalsContact C-N 3.28Å; H242-H244 PolarHBondContact O-N 2.93Å; H242-H244 VanDerWaalsContact O-N 3.17Å; H242-D245 PolarHBondContact O-N 3.3Å; H242-F246 PolarHBondContact O-N 3.43Å
243	L	89.9	Confident	79	Confident	2 Å²	2	61.8 Å²	61.8	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-48.2	-44.7	-178	179.4	62.4	0	0	0	114	Q247 L262 V265 R266 M269 P283	L243-Q247 WeakPolarHBondContact O-CB 3.44Å; L243-Q247 PolarHBondContact O-N 3.49Å; L243-L262 HydrophobicContact CD1-CD1 4.38Å; L243-L262 HydrophobicContact CD2-CD1 4.03Å; L243-L262 HydrophobicContact CD2-CD2 4.35Å; L243-L262 HydrophobicContact CD2-CG 4.04Å; L243-L262 HydrophobicContact CG-CD1 3.85Å; L243-L262 HydrophobicContact CG-CG 4.4Å; L243-V265 HydrophobicContact CD1-CB 4.14Å; L243-V265 HydrophobicContact CD1-CG1 3.72Å; L243-R266 HydrophobicContact CD1-CB 4.1Å; L243-R266 HydrophobicContact CD2-CB 4.33Å; L243-M269 HydrophobicContact CB-SD 4.38Å; L243-M269 HydrophobicContact CD1-SD 3.57Å; L243-M269 VanDerWaalsContact CD1-SD 3.57Å; L243-P283 HydrophobicContact CD1-CG 4.4Å
244	H	89.5	Confident	80.8	Confident	95 Å²	95	58.6 Å²	58.6	44%	0.44	30%	0.295	S	S	.	.	H	α-helix	trans	-72.3	-33.3	-179.5	-79.2	-65.3	0	0	0	113.8	H242 Q247 R248	H242-H244 VanDerWaalsContact C-N 3.28Å; H242-H244 PolarHBondContact O-N 2.93Å; H242-H244 VanDerWaalsContact O-N 3.17Å; H244-Q247 PolarHBondContact ND1-OE1 3.48Å; H244-Q247 WeakPolarHBondContact O-CB 3.27Å; H244-Q247 PolarHBondContact O-N 2.73Å; H244-R248 WeakPolarHBondContact O-CG 3.19Å; H244-R248 PolarHBondContact O-N 2.84Å
245	D	88.6	Confident	82.6	Confident	33 Å²	33	56.1 Å²	56.1	18%	0.176	28%	0.279	C	S	.	.	H	α-helix	trans	-73.1	-40.1	176.2	-61.8	-47.5	0	0	0	109.9	F228 I241 H242 Q247 R248 F249	F228-D245 HydrophobicContact CD2-CB 3.96Å; F228-D245 HydrophobicContact CE2-CB 4.23Å; F228-D245 WeakPolarHBondContact CE2-O 3.41Å; I241-D245 HydrophobicContact CG2-CB 4.23Å; H242-D245 PolarHBondContact O-N 3.3Å; D245-Q247 VanDerWaalsContact C-N 3.32Å; D245-Q247 PolarHBondContact O-N 3.46Å; D245-R248 PolarHBondContact O-N 2.91Å; D245-R248 IonicContact OD1-NH1 3.66Å; D245-R248 PolarHBondContact OD1-NH1 3.3Å; D245-F249 PolarHBondContact O-N 3.45Å
246	F	91.5	Very high	84.2	Confident	1 Å²	1	48.8 Å²	48.8	0%	0.004	25%	0.252	C	S	.	.	H	α-helix	trans	-61.8	-39.9	171.4	-169.7	-114.1	0	0	0	112.3	I241 H242 R248 F249 L250 V265 M269 L285 F290 Y293	I241-F246 HydrophobicContact CG2-CB 4.03Å; H242-F246 PolarHBondContact O-N 3.43Å; F246-R248 PolarHBondContact O-N 2.93Å; F246-F249 HydrophobicContact CD2-CD1 4.08Å; F246-F249 AromaticContact CE2-CD1 3.98Å; F246-F249 HydrophobicContact CE2-CD1 3.98Å; F246-F249 HydrophobicContact CE2-CE1 4.28Å; F246-F249 WeakPolarHBondContact O-CB 3.35Å; F246-F249 PolarHBondContact O-N 3.45Å; F246-L250 HydrophobicContact CD1-CD1 3.91Å; F246-L250 HydrophobicContact CD1-CG 4.35Å; F246-L250 HydrophobicContact CE1-CD1 3.64Å; F246-L250 HydrophobicContact CE1-CD2 4.37Å; F246-L250 HydrophobicContact CE1-CG 4.1Å; F246-L250 HydrophobicContact CZ-CD1 4.27Å; F246-L250 HydrophobicContact CZ-CD2 4.17Å; F246-L250 HydrophobicContact CZ-CG 4.28Å; F246-L250 WeakPolarHBondContact O-CG 3.22Å; F246-L250 PolarHBondContact O-N 2.73Å; F246-V265 HydrophobicContact CD1-CG1 3.69Å; F246-V265 HydrophobicContact CE1-CG1 4.32Å; F246-M269 HydrophobicContact CB-CE 4.17Å; F246-M269 HydrophobicContact CB-SD 3.87Å; F246-M269 HydrophobicContact CD1-CE 4.44Å; F246-M269 HydrophobicContact CD1-CG 3.41Å; F246-M269 VanDerWaalsContact CD1-CG 3.41Å; F246-M269 HydrophobicContact CD1-SD 3.52Å; F246-M269 VanDerWaalsContact CD1-SD 3.52Å; F246-M269 HydrophobicContact CE1-CG 3.62Å; F246-M269 HydrophobicContact CE1-SD 4.34Å; F246-M269 HydrophobicContact CG-CE 4.36Å; F246-M269 HydrophobicContact CG-CG 4.21Å; F246-M269 HydrophobicContact CG-SD 3.94Å; F246-L285 HydrophobicContact CD2-CD1 4.21Å; F246-L285 HydrophobicContact CE2-CD1 4.16Å; F246-F290 HydrophobicContact CD2-CD2 4.3Å; F246-F290 HydrophobicContact CD2-CE2 4.21Å; F246-F290 HydrophobicContact CE2-CD2 4.28Å; F246-F290 HydrophobicContact CE2-CE2 4.19Å; F246-Y293 AromaticContact CE2-CD1 3.92Å; F246-Y293 HydrophobicContact CE2-CD1 3.92Å; F246-Y293 AromaticContact CE2-CE1 3.74Å; F246-Y293 HydrophobicContact CE2-CE1 3.74Å; F246-Y293 HydrophobicContact CZ-CD1 4.11Å; F246-Y293 HydrophobicContact CZ-CD2 4.5Å; F246-Y293 AromaticContact CZ-CE1 3.6Å; F246-Y293 HydrophobicContact CZ-CE1 3.6Å; F246-Y293 HydrophobicContact CZ-CE2 4.02Å; F246-Y293 AromaticContact CZ-CZ 3.55Å
247	Q	92.6	Very high	85.8	Confident	31 Å²	31	50.9 Å²	50.9	15%	0.145	27%	0.268	C	S	.	.	H	α-helix	trans	-58.4	-46.7	172.3	179.1	-177.3	41.8	0	0	111.9	L243 H244 D245 F249 L250 L251 A259 L262 V265	L243-Q247 WeakPolarHBondContact O-CB 3.44Å; L243-Q247 PolarHBondContact O-N 3.49Å; H244-Q247 PolarHBondContact ND1-OE1 3.48Å; H244-Q247 WeakPolarHBondContact O-CB 3.27Å; H244-Q247 PolarHBondContact O-N 2.73Å; D245-Q247 VanDerWaalsContact C-N 3.32Å; D245-Q247 PolarHBondContact O-N 3.46Å; Q247-F249 VanDerWaalsContact C-N 3.34Å; Q247-F249 PolarHBondContact O-N 3.32Å; Q247-L250 PolarHBondContact O-N 2.96Å; Q247-L251 HydrophobicContact CG-CD1 3.86Å; Q247-L251 HydrophobicContact CG-CG 4.44Å; Q247-L251 WeakPolarHBondContact O-CG 2.98Å; Q247-L251 PolarHBondContact O-N 3.18Å; Q247-A259 WeakPolarHBondContact CG-O 3.27Å; Q247-A259 PolarHBondContact NE2-O 3.45Å; Q247-L262 HydrophobicContact CB-CD1 4.41Å; Q247-V265 HydrophobicContact CB-CG1 4.29Å; Q247-V265 HydrophobicContact CB-CG2 4.42Å; Q247-V265 HydrophobicContact CG-CG2 4.33Å
248	R	89.3	Confident	87.5	Confident	121 Å²	121	49.7 Å²	49.7	46%	0.457	26%	0.256	S	S	.	.	H	α-helix	trans	-61.9	-42.2	177.6	-75.2	174.3	-177.5	160.4	-1.7	111.7	F228 H244 D245 F246 L251 H252	F228-R248 HydrophobicContact CD2-CB 4.36Å; F228-R248 HydrophobicContact CE1-CB 4.36Å; F228-R248 HydrophobicContact CE2-CB 3.48Å; F228-R248 VanDerWaalsContact CE2-CB 3.48Å; F228-R248 HydrophobicContact CE2-CG 4.46Å; F228-R248 HydrophobicContact CZ-CB 3.49Å; F228-R248 VanDerWaalsContact CZ-CB 3.49Å; H244-R248 WeakPolarHBondContact O-CG 3.19Å; H244-R248 PolarHBondContact O-N 2.84Å; D245-R248 PolarHBondContact O-N 2.91Å; D245-R248 IonicContact OD1-NH1 3.66Å; D245-R248 PolarHBondContact OD1-NH1 3.3Å; F246-R248 PolarHBondContact O-N 2.93Å; R248-L251 PolarHBondContact O-N 3.38Å; R248-H252 WeakPolarHBondContact O-CB 3.39Å; R248-H252 PolarHBondContact O-CD2 2.96Å; R248-H252 VanDerWaalsContact O-CD2 3.25Å; R248-H252 PolarHBondContact O-N 3.47Å
249	F	90.9	Very high	89.1	Confident	1 Å²	1	46.4 Å²	46.4	0%	0.004	23%	0.229	C	C	.	.	H	α-helix	trans	-56.6	-49.4	173.2	165.5	-105.5	0	0	0	111.3	F221 I229 D245 F246 Q247 L251 E253 Q254 F290 Y293 L294 F1162	F221-F249 HydrophobicContact CE1-CD2 4.33Å; F221-F249 AromaticContact CE1-CE2 3.96Å; F221-F249 HydrophobicContact CE1-CE2 3.96Å; F221-F249 HydrophobicContact CZ-CE2 4.39Å; I229-F249 HydrophobicContact CD1-CB 3.87Å; I229-F249 HydrophobicContact CD1-CD2 3.68Å; I229-F249 HydrophobicContact CD1-CG 4.15Å; D245-F249 PolarHBondContact O-N 3.45Å; F246-F249 HydrophobicContact CD2-CD1 4.08Å; F246-F249 AromaticContact CE2-CD1 3.98Å; F246-F249 HydrophobicContact CE2-CD1 3.98Å; F246-F249 HydrophobicContact CE2-CE1 4.28Å; F246-F249 WeakPolarHBondContact O-CB 3.35Å; F246-F249 PolarHBondContact O-N 3.45Å; Q247-F249 VanDerWaalsContact C-N 3.34Å; Q247-F249 PolarHBondContact O-N 3.32Å; F249-L251 VanDerWaalsContact C-N 3.33Å; F249-L251 PolarHBondContact O-N 2.9Å; F249-E253 HydrophobicContact CD2-CB 3.74Å; F249-E253 HydrophobicContact CD2-CG 3.99Å; F249-E253 HydrophobicContact CE2-CB 3.93Å; F249-E253 WeakPolarHBondContact O-CB 3.48Å; F249-E253 PolarHBondContact O-N 2.94Å; F249-Q254 HydrophobicContact CD1-CG 3.97Å; F249-Q254 HydrophobicContact CD2-CG 4.42Å; F249-Q254 HydrophobicContact CE1-CG 3.43Å; F249-Q254 VanDerWaalsContact CE1-CG 3.43Å; F249-Q254 HydrophobicContact CE2-CG 3.92Å; F249-Q254 HydrophobicContact CG-CG 4.44Å; F249-Q254 HydrophobicContact CZ-CG 3.4Å; F249-Q254 VanDerWaalsContact CZ-CG 3.4Å; F249-Q254 VanDerWaalsContact CZ-OE1 3.28Å; F249-Q254 PolarHBondContact O-N 3.46Å; F249-F290 AromaticContact CD1-CE2 3.88Å; F249-F290 HydrophobicContact CD1-CE2 3.88Å; F249-F290 HydrophobicContact CD1-CZ 4.28Å; F249-F290 HydrophobicContact CD2-CE2 4.5Å; F249-F290 HydrophobicContact CD2-CZ 4.09Å; F249-F290 AromaticContact CE1-CE2 3.83Å; F249-F290 HydrophobicContact CE1-CE2 3.83Å; F249-F290 HydrophobicContact CE1-CZ 4.14Å; F249-F290 HydrophobicContact CE2-CE2 4.46Å; F249-F290 AromaticContact CE2-CZ 3.96Å; F249-F290 HydrophobicContact CE2-CZ 3.96Å; F249-F290 HydrophobicContact CG-CE2 4.22Å; F249-F290 HydrophobicContact CG-CZ 4.24Å; F249-F290 HydrophobicContact CZ-CE2 4.13Å; F249-F290 AromaticContact CZ-CZ 3.98Å; F249-F290 HydrophobicContact CZ-CZ 3.98Å; F249-Y293 HydrophobicContact CE1-CE1 4.43Å; F249-L294 HydrophobicContact CE1-CD2 4.32Å; F249-L294 HydrophobicContact CE2-CD2 4.36Å; F249-L294 HydrophobicContact CZ-CD2 3.61Å; F249-F1162 HydrophobicContact CE2-CD2 4.31Å
250	L	93.1	Very high	90	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-60.2	-41.7	178.2	-69.1	174.6	0	0	0	112.4	F246 Q247 Q254 Q255 E256 W258 A259 V265	F246-L250 HydrophobicContact CD1-CD1 3.91Å; F246-L250 HydrophobicContact CD1-CG 4.35Å; F246-L250 HydrophobicContact CE1-CD1 3.64Å; F246-L250 HydrophobicContact CE1-CD2 4.37Å; F246-L250 HydrophobicContact CE1-CG 4.1Å; F246-L250 HydrophobicContact CZ-CD1 4.27Å; F246-L250 HydrophobicContact CZ-CD2 4.17Å; F246-L250 HydrophobicContact CZ-CG 4.28Å; F246-L250 WeakPolarHBondContact O-CG 3.22Å; F246-L250 PolarHBondContact O-N 2.73Å; Q247-L250 PolarHBondContact O-N 2.96Å; L250-Q254 HydrophobicContact CD2-CG 4.26Å; L250-Q254 CarbonylContact O-C 3.58Å; L250-Q254 WeakPolarHBondContact O-CB 3.08Å; L250-Q255 PolarHBondContact O-N 3.46Å; L250-Q255 VanDerWaalsContact O-N 3.09Å; L250-E256 HydrophobicContact CB-CB 4.27Å; L250-E256 HydrophobicContact CD2-CG 4.39Å; L250-E256 WeakPolarHBondContact O-CB 3.2Å; L250-E256 PolarHBondContact O-N 2.98Å; L250-W258 HydrophobicContact CD1-CH2 3.69Å; L250-W258 HydrophobicContact CD1-CZ2 4.25Å; L250-W258 HydrophobicContact CD1-CZ3 4.29Å; L250-W258 HydrophobicContact CD2-CZ2 4.48Å; L250-A259 HydrophobicContact CB-CB 3.55Å; L250-A259 HydrophobicContact CD1-CB 3.89Å; L250-A259 HydrophobicContact CG-CB 4.4Å; L250-V265 HydrophobicContact CD1-CG1 3.98Å; L250-V265 HydrophobicContact CD1-CG2 4.12Å
251	L	90.8	Very high	90.6	Very high	49 Å²	49	54.3 Å²	54.3	26%	0.257	26%	0.259	S	S	.	.	H	α-helix	trans	-74.8	-43.2	-177.4	-72.1	171.5	0	0	0	113.6	Q247 R248 F249 A259 Q260	Q247-L251 HydrophobicContact CG-CD1 3.86Å; Q247-L251 HydrophobicContact CG-CG 4.44Å; Q247-L251 WeakPolarHBondContact O-CG 2.98Å; Q247-L251 PolarHBondContact O-N 3.18Å; R248-L251 PolarHBondContact O-N 3.38Å; F249-L251 VanDerWaalsContact C-N 3.33Å; F249-L251 PolarHBondContact O-N 2.9Å; L251-A259 HydrophobicContact CD2-CB 4.02Å; L251-A259 HydrophobicContact CG-CB 4.07Å; L251-Q260 HydrophobicContact CD2-CG 3.79Å
252	H	87.1	Confident	90.9	Very high	129 Å²	129	56.3 Å²	56.3	60%	0.597	27%	0.27	S	S	*	.	H	α-helix	trans	-96.9	-40.8	-168.9	-64.2	-62.1	0	0	0	113.2	R248	R248-H252 WeakPolarHBondContact O-CB 3.39Å; R248-H252 PolarHBondContact O-CD2 2.96Å; R248-H252 VanDerWaalsContact O-CD2 3.25Å; R248-H252 PolarHBondContact O-N 3.47Å
253	E	88.2	Confident	91	Very high	35 Å²	35	54.7 Å²	54.7	16%	0.164	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-42.4	-178.3	-59	-64.1	154.7	0	0	111.3	S226 F249 G1161	S226-E253 WeakPolarHBondContact OG-CG 3.4Å; S226-E253 PolarHBondContact OG-OE1 2.91Å; F249-E253 HydrophobicContact CD2-CB 3.74Å; F249-E253 HydrophobicContact CD2-CG 3.99Å; F249-E253 HydrophobicContact CE2-CB 3.93Å; F249-E253 WeakPolarHBondContact O-CB 3.48Å; F249-E253 PolarHBondContact O-N 2.94Å; E253-G1161 WeakPolarHBondContact O-CA 3.18Å
254	Q	91.6	Very high	91.2	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.005	29%	0.291	C	S	.	.	S	Bend	trans	-89.1	-13.4	-178.1	-52.2	-65.3	99.4	0	0	113.9	F249 L250 E256 N299 F1162 R1163	F249-Q254 HydrophobicContact CD1-CG 3.97Å; F249-Q254 HydrophobicContact CD2-CG 4.42Å; F249-Q254 HydrophobicContact CE1-CG 3.43Å; F249-Q254 VanDerWaalsContact CE1-CG 3.43Å; F249-Q254 HydrophobicContact CE2-CG 3.92Å; F249-Q254 HydrophobicContact CG-CG 4.44Å; F249-Q254 HydrophobicContact CZ-CG 3.4Å; F249-Q254 VanDerWaalsContact CZ-CG 3.4Å; F249-Q254 VanDerWaalsContact CZ-OE1 3.28Å; F249-Q254 PolarHBondContact O-N 3.46Å; L250-Q254 HydrophobicContact CD2-CG 4.26Å; L250-Q254 CarbonylContact O-C 3.58Å; L250-Q254 WeakPolarHBondContact O-CB 3.08Å; Q254-E256 VanDerWaalsContact C-N 3.26Å; Q254-E256 HydrophobicContact CB-CG 3.75Å; Q254-E256 PolarHBondContact O-N 3.17Å; Q254-N299 PolarHBondContact NE2-OD1 2.76Å; Q254-F1162 PolarHBondContact NE2-O 2.77Å; Q254-F1162 PolarHBondContact OE1-O 3.47Å; Q254-R1163 PolarHBondContact O-NH2 3.03Å
255	Q	91.8	Very high	91.3	Very high	121 Å²	121	55 Å²	55	57%	0.565	27%	0.27	S	S	*	.			trans	56.3	34.3	-176.8	-55.5	-179.9	5.9	0	0	114	L250 S257	L250-Q255 PolarHBondContact O-N 3.46Å; L250-Q255 VanDerWaalsContact O-N 3.09Å; Q255-S257 PolarHBondContact O-N 3.28Å
256	E	91.7	Very high	91.5	Very high	26 Å²	26	57.3 Å²	57.3	12%	0.121	28%	0.277	C	S	.	.			trans	-86.5	97.6	-177.8	-67.9	-74	-172.4	0	0	111.5	L250 Q254 W258 A259 K1159 R1163	L250-E256 HydrophobicContact CB-CB 4.27Å; L250-E256 HydrophobicContact CD2-CG 4.39Å; L250-E256 WeakPolarHBondContact O-CB 3.2Å; L250-E256 PolarHBondContact O-N 2.98Å; Q254-E256 VanDerWaalsContact C-N 3.26Å; Q254-E256 HydrophobicContact CB-CG 3.75Å; Q254-E256 PolarHBondContact O-N 3.17Å; E256-W258 VanDerWaalsContact C-N 3.27Å; E256-W258 HydrophobicContact CB-CZ2 4.36Å; E256-W258 HydrophobicContact CG-CZ2 4.45Å; E256-W258 PolarHBondContact O-N 3.24Å; E256-W258 VanDerWaalsContact OE2-CD1 3.27Å; E256-W258 PolarHBondContact OE2-NE1 3.11Å; E256-A259 HydrophobicContact CB-CB 4.43Å; E256-A259 VanDerWaalsContact O-CB 3.32Å; E256-A259 WeakPolarHBondContact O-CB 3.24Å; E256-A259 PolarHBondContact O-N 2.9Å; E256-A259 VanDerWaalsContact O-N 3.11Å; E256-K1159 IonicContact OE1-NZ 2.59Å; E256-R1163 IonicContact OE1-CZ 3.12Å; E256-R1163 IonicContact OE1-NH1 2.66Å; E256-R1163 PolarHBondContact OE1-NH1 3.33Å; E256-R1163 IonicContact OE1-NH2 2.69Å; E256-R1163 PolarHBondContact OE1-NH2 3.17Å
257	S	90.2	Very high	91.4	Very high	90 Å²	90	63.7 Å²	63.7	63%	0.629	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-62.4	-29.5	-175.6	62.2	0	0	0	0	114.4	Q255 A259 Q260	Q255-S257 PolarHBondContact O-N 3.28Å; S257-A259 PolarHBondContact O-N 3.42Å; S257-Q260 VanDerWaalsContact O-CG 3.31Å; S257-Q260 WeakPolarHBondContact O-CG 3.39Å; S257-Q260 PolarHBondContact O-N 2.95Å
258	W	91.7	Very high	91.2	Very high	76 Å²	76	65 Å²	65	29%	0.288	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-66	-19.9	177.9	62.7	-96	0	0	0	113.1	L250 E256 Q260 D261 K264 V265 R268	L250-W258 HydrophobicContact CD1-CH2 3.69Å; L250-W258 HydrophobicContact CD1-CZ2 4.25Å; L250-W258 HydrophobicContact CD1-CZ3 4.29Å; L250-W258 HydrophobicContact CD2-CZ2 4.48Å; E256-W258 VanDerWaalsContact C-N 3.27Å; E256-W258 HydrophobicContact CB-CZ2 4.36Å; E256-W258 HydrophobicContact CG-CZ2 4.45Å; E256-W258 PolarHBondContact O-N 3.24Å; E256-W258 VanDerWaalsContact OE2-CD1 3.27Å; E256-W258 PolarHBondContact OE2-NE1 3.11Å; W258-Q260 PolarHBondContact O-N 3.31Å; W258-Q260 VanDerWaalsContact O-N 3.17Å; W258-D261 PolarHBondContact O-N 3.48Å; W258-D261 VanDerWaalsContact O-N 3.17Å; W258-K264 HydrophobicContact CE3-CB 3.88Å; W258-K264 HydrophobicContact CE3-CD 4.49Å; W258-K264 HydrophobicContact CZ3-CB 4.09Å; W258-V265 HydrophobicContact CZ3-CG2 4.18Å; W258-R268 HydrophobicContact CH2-CB 4.27Å; W258-R268 HydrophobicContact CH2-CG 4.2Å
259	A	92.9	Very high	91.3	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-70.8	-4.6	178.4	0	0	0	0	0	113.3	Q247 L250 L251 E256 S257 D261 V265	Q247-A259 WeakPolarHBondContact CG-O 3.27Å; Q247-A259 PolarHBondContact NE2-O 3.45Å; L250-A259 HydrophobicContact CB-CB 3.55Å; L250-A259 HydrophobicContact CD1-CB 3.89Å; L250-A259 HydrophobicContact CG-CB 4.4Å; L251-A259 HydrophobicContact CD2-CB 4.02Å; L251-A259 HydrophobicContact CG-CB 4.07Å; E256-A259 HydrophobicContact CB-CB 4.43Å; E256-A259 VanDerWaalsContact O-CB 3.32Å; E256-A259 WeakPolarHBondContact O-CB 3.24Å; E256-A259 PolarHBondContact O-N 2.9Å; E256-A259 VanDerWaalsContact O-N 3.11Å; S257-A259 PolarHBondContact O-N 3.42Å; A259-D261 PolarHBondContact O-N 3.46Å; A259-V265 HydrophobicContact CB-CG2 3.84Å
260	Q	92.3	Very high	91.2	Very high	153 Å²	153	63 Å²	63	72%	0.715	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-59.7	-30	167.3	-68.9	178.2	11.1	0	0	111.5	L251 S257 W258 L262	L251-Q260 HydrophobicContact CD2-CG 3.79Å; S257-Q260 VanDerWaalsContact O-CG 3.31Å; S257-Q260 WeakPolarHBondContact O-CG 3.39Å; S257-Q260 PolarHBondContact O-N 2.95Å; W258-Q260 PolarHBondContact O-N 3.31Å; W258-Q260 VanDerWaalsContact O-N 3.17Å; Q260-L262 PolarHBondContact O-N 3.49Å
261	D	93.8	Very high	90.7	Very high	68 Å²	68	68.9 Å²	68.9	36%	0.364	34%	0.337	S	S	.	.	S	Bend	trans	-85.7	103	172.4	-175.4	-9	0	0	0	110.6	W258 A259 S263 K264 V265	W258-D261 PolarHBondContact O-N 3.48Å; W258-D261 VanDerWaalsContact O-N 3.17Å; A259-D261 PolarHBondContact O-N 3.46Å; D261-S263 PolarHBondContact O-N 2.92Å; D261-S263 VanDerWaalsContact O-N 3.14Å; D261-S263 VanDerWaalsContact OD1-CB 3.26Å; D261-S263 WeakPolarHBondContact OD1-CB 3.48Å; D261-S263 PolarHBondContact OD1-N 3.18Å; D261-S263 PolarHBondContact OD1-OG 3.3Å; D261-K264 HydrophobicContact CB-CB 4.44Å; D261-K264 HydrophobicContact CB-CD 4.16Å; D261-K264 HydrophobicContact CB-CG 4.17Å; D261-K264 PolarHBondContact O-N 2.91Å; D261-K264 VanDerWaalsContact O-N 3.13Å; D261-V265 PolarHBondContact O-N 3.19Å
262	L	92.3	Very high	90.5	Very high	43 Å²	43	66.8 Å²	66.8	23%	0.225	33%	0.326	C	S	.	.	H	α-helix	trans	-58.4	-26.9	180	-167	68.1	0	0	0	112.9	L243 Q247 Q260 V265 R266	L243-L262 HydrophobicContact CD1-CD1 4.38Å; L243-L262 HydrophobicContact CD2-CD1 4.03Å; L243-L262 HydrophobicContact CD2-CD2 4.35Å; L243-L262 HydrophobicContact CD2-CG 4.04Å; L243-L262 HydrophobicContact CG-CD1 3.85Å; L243-L262 HydrophobicContact CG-CG 4.4Å; Q247-L262 HydrophobicContact CB-CD1 4.41Å; Q260-L262 PolarHBondContact O-N 3.49Å; L262-V265 PolarHBondContact O-N 2.96Å; L262-R266 WeakPolarHBondContact O-CB 3.46Å; L262-R266 PolarHBondContact O-N 2.96Å
263	S	92.1	Very high	90.3	Very high	72 Å²	72	62 Å²	62	50%	0.503	30%	0.304	S	S	.	.	H	α-helix	trans	-67.9	-39.9	179.2	-49.3	0	0	0	0	111.3	D261 R266 E267	D261-S263 PolarHBondContact O-N 2.92Å; D261-S263 VanDerWaalsContact O-N 3.14Å; D261-S263 VanDerWaalsContact OD1-CB 3.26Å; D261-S263 WeakPolarHBondContact OD1-CB 3.48Å; D261-S263 PolarHBondContact OD1-N 3.18Å; D261-S263 PolarHBondContact OD1-OG 3.3Å; S263-R266 WeakPolarHBondContact O-CB 3.44Å; S263-R266 PolarHBondContact O-N 2.95Å; S263-E267 PolarHBondContact O-N 3.19Å
264	K	92.5	Very high	89.1	Confident	104 Å²	104	65.4 Å²	65.4	45%	0.452	32%	0.324	S	S	.	.	H	α-helix	trans	-67.9	-38	175.5	-66.5	-176.4	-177.8	-177.5	0	112.1	W258 D261 R266 E267 R268	W258-K264 HydrophobicContact CE3-CB 3.88Å; W258-K264 HydrophobicContact CE3-CD 4.49Å; W258-K264 HydrophobicContact CZ3-CB 4.09Å; D261-K264 HydrophobicContact CB-CB 4.44Å; D261-K264 HydrophobicContact CB-CD 4.16Å; D261-K264 HydrophobicContact CB-CG 4.17Å; D261-K264 PolarHBondContact O-N 2.91Å; D261-K264 VanDerWaalsContact O-N 3.13Å; K264-R266 VanDerWaalsContact C-N 3.33Å; K264-E267 PolarHBondContact O-N 2.96Å; K264-R268 WeakPolarHBondContact O-CB 3.28Å; K264-R268 PolarHBondContact O-N 3.2Å
265	V	93.1	Very high	87.7	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-61.7	-44.6	174.4	-175.7	0	0	0	0	110.2	L243 F246 Q247 L250 W258 A259 D261 L262 E267 R268 M269	L243-V265 HydrophobicContact CD1-CB 4.14Å; L243-V265 HydrophobicContact CD1-CG1 3.72Å; F246-V265 HydrophobicContact CD1-CG1 3.69Å; F246-V265 HydrophobicContact CE1-CG1 4.32Å; Q247-V265 HydrophobicContact CB-CG1 4.29Å; Q247-V265 HydrophobicContact CB-CG2 4.42Å; Q247-V265 HydrophobicContact CG-CG2 4.33Å; L250-V265 HydrophobicContact CD1-CG1 3.98Å; L250-V265 HydrophobicContact CD1-CG2 4.12Å; W258-V265 HydrophobicContact CZ3-CG2 4.18Å; A259-V265 HydrophobicContact CB-CG2 3.84Å; D261-V265 PolarHBondContact O-N 3.19Å; L262-V265 PolarHBondContact O-N 2.96Å; V265-E267 PolarHBondContact O-N 3.48Å; V265-R268 PolarHBondContact O-N 2.86Å; V265-M269 HydrophobicContact CG1-SD 4.4Å; V265-M269 WeakPolarHBondContact O-CG 3.36Å; V265-M269 PolarHBondContact O-N 3.3Å
266	R	91.8	Very high	85.8	Confident	82 Å²	82	68.3 Å²	68.3	31%	0.309	35%	0.348	S	S	.	.	H	α-helix	trans	-59.6	-45.6	176.1	-173.3	-178.3	-65.3	109.2	0.1	111.8	L243 L262 S263 K264 M269 T270 E282 P283	L243-R266 HydrophobicContact CD1-CB 4.1Å; L243-R266 HydrophobicContact CD2-CB 4.33Å; L262-R266 WeakPolarHBondContact O-CB 3.46Å; L262-R266 PolarHBondContact O-N 2.96Å; S263-R266 WeakPolarHBondContact O-CB 3.44Å; S263-R266 PolarHBondContact O-N 2.95Å; K264-R266 VanDerWaalsContact C-N 3.33Å; R266-M269 PolarHBondContact O-N 3.48Å; R266-T270 WeakPolarHBondContact O-CB 3.48Å; R266-T270 PolarHBondContact O-N 3.23Å; R266-T270 PolarHBondContact O-OG1 3.23Å; R266-E282 IonicContact NH2-OE1 3.41Å; R266-E282 PolarHBondContact NH2-OE1 2.78Å; R266-P283 HydrophobicContact CG-CG 3.82Å
267	E	89.3	Confident	83.9	Confident	134 Å²	134	74.2 Å²	74.2	63%	0.626	38%	0.377	S	S	*	.	H	α-helix	trans	-60.2	-46.5	176.4	-172.2	-174.5	164.7	0	0	111.6	S263 K264 V265 M269 T270 K271	S263-E267 PolarHBondContact O-N 3.19Å; K264-E267 PolarHBondContact O-N 2.96Å; V265-E267 PolarHBondContact O-N 3.48Å; E267-M269 PolarHBondContact O-N 2.82Å; E267-T270 PolarHBondContact O-N 3.08Å; E267-K271 WeakPolarHBondContact O-CB 3.14Å; E267-K271 PolarHBondContact O-N 2.82Å
268	R	89.8	Confident	82.9	Confident	58 Å²	58	72.7 Å²	72.7	22%	0.219	36%	0.358	C	S	.	.	H	α-helix	trans	-59	-45.5	178.6	-173.4	59.2	154.1	-153.1	-4.7	112.1	W258 K264 V265 F272 E298	W258-R268 HydrophobicContact CH2-CB 4.27Å; W258-R268 HydrophobicContact CH2-CG 4.2Å; K264-R268 WeakPolarHBondContact O-CB 3.28Å; K264-R268 PolarHBondContact O-N 3.2Å; V265-R268 PolarHBondContact O-N 2.86Å; R268-F272 PolarHBondContact O-N 2.98Å; R268-E298 PolarHBondContact NH2-O 3.04Å
269	M	90.6	Very high	81.2	Confident	2 Å²	2	78.7 Å²	78.7	1%	0.01	39%	0.389	C	S	.	.	H	α-helix	trans	-66.2	-45.9	177.5	-68.7	178.6	76.9	0	0	111.8	L243 F246 V265 R266 E267 K271 F272 I273 P283 L285	L243-M269 HydrophobicContact CB-SD 4.38Å; L243-M269 HydrophobicContact CD1-SD 3.57Å; L243-M269 VanDerWaalsContact CD1-SD 3.57Å; F246-M269 HydrophobicContact CB-CE 4.17Å; F246-M269 HydrophobicContact CB-SD 3.87Å; F246-M269 HydrophobicContact CD1-CE 4.44Å; F246-M269 HydrophobicContact CD1-CG 3.41Å; F246-M269 VanDerWaalsContact CD1-CG 3.41Å; F246-M269 HydrophobicContact CD1-SD 3.52Å; F246-M269 VanDerWaalsContact CD1-SD 3.52Å; F246-M269 HydrophobicContact CE1-CG 3.62Å; F246-M269 HydrophobicContact CE1-SD 4.34Å; F246-M269 HydrophobicContact CG-CE 4.36Å; F246-M269 HydrophobicContact CG-CG 4.21Å; F246-M269 HydrophobicContact CG-SD 3.94Å; V265-M269 HydrophobicContact CG1-SD 4.4Å; V265-M269 WeakPolarHBondContact O-CG 3.36Å; V265-M269 PolarHBondContact O-N 3.3Å; R266-M269 PolarHBondContact O-N 3.48Å; E267-M269 PolarHBondContact O-N 2.82Å; M269-K271 PolarHBondContact O-N 3.44Å; M269-F272 PolarHBondContact O-N 3.35Å; M269-I273 WeakPolarHBondContact O-CD1 3.46Å; M269-I273 WeakPolarHBondContact O-CG1 3.24Å; M269-I273 PolarHBondContact O-N 2.62Å; M269-P283 HydrophobicContact CB-CB 3.98Å; M269-P283 HydrophobicContact CB-CG 4.05Å; M269-P283 HydrophobicContact SD-CG 4.38Å; M269-L285 HydrophobicContact CE-CD1 4.29Å; M269-L285 HydrophobicContact CE-CG 3.99Å
270	T	87.9	Confident	79.9	Confident	80 Å²	80	82.2 Å²	82.2	49%	0.491	41%	0.41	S	S	.	.	H	α-helix	trans	-62.2	-44	-177.7	-53	0	0	0	0	111.2	R266 E267 F272 I273 D274	R266-T270 WeakPolarHBondContact O-CB 3.48Å; R266-T270 PolarHBondContact O-N 3.23Å; R266-T270 PolarHBondContact O-OG1 3.23Å; E267-T270 PolarHBondContact O-N 3.08Å; T270-F272 VanDerWaalsContact C-N 3.28Å; T270-F272 PolarHBondContact O-N 2.94Å; T270-I273 PolarHBondContact O-N 3.41Å; T270-D274 PolarHBondContact O-N 3.21Å; T270-D274 VanDerWaalsContact O-N 3.09Å
271	K	84.5	Confident	78.8	Confident	123 Å²	123	80 Å²	80	54%	0.535	42%	0.419	S	S	.	.	H	α-helix	trans	-63.3	-32.6	177.5	-173.3	176.5	-179.7	179.8	0	112.9	P137 E267 M269	P137-K271 WeakPolarHBondContact CB-O 3.4Å; E267-K271 WeakPolarHBondContact O-CB 3.14Å; E267-K271 PolarHBondContact O-N 2.82Å; M269-K271 PolarHBondContact O-N 3.44Å
272	F	86.3	Confident	78.2	Confident	5 Å²	5	81.3 Å²	81.3	2%	0.022	42%	0.423	C	S	.	.	H	α-helix	trans	-77.6	-42	179.1	-178.3	-101.5	0	0	0	112.4	P139 R268 M269 T270 L285 T292 Y293 A296 E298	P139-F272 HydrophobicContact CG-CD2 4.38Å; P139-F272 HydrophobicContact CG-CE1 4.36Å; P139-F272 HydrophobicContact CG-CE2 4.04Å; P139-F272 HydrophobicContact CG-CZ 4.02Å; P139-F272 WeakPolarHBondContact CG-O 3.18Å; R268-F272 PolarHBondContact O-N 2.98Å; M269-F272 PolarHBondContact O-N 3.35Å; T270-F272 VanDerWaalsContact C-N 3.28Å; T270-F272 PolarHBondContact O-N 2.94Å; F272-L285 HydrophobicContact CD1-CD2 3.92Å; F272-L285 HydrophobicContact CE1-CD2 4.24Å; F272-T292 HydrophobicContact CZ-CG2 4.25Å; F272-Y293 HydrophobicContact CD1-CD2 4.16Å; F272-Y293 HydrophobicContact CD2-CD2 4Å; F272-Y293 HydrophobicContact CE1-CD2 4.29Å; F272-Y293 HydrophobicContact CE2-CD2 4.13Å; F272-Y293 HydrophobicContact CG-CD2 4Å; F272-Y293 HydrophobicContact CZ-CD2 4.28Å; F272-A296 HydrophobicContact CD2-CB 4.48Å; F272-A296 HydrophobicContact CE2-CB 3.57Å; F272-A296 HydrophobicContact CZ-CB 4.21Å; F272-E298 HydrophobicContact CD2-CG 4.36Å
273	I	82.3	Confident	78	Confident	29 Å²	29	80.1 Å²	80.1	15%	0.149	42%	0.417	C	S	.	.	H	α-helix	trans	-70	-40.3	-177.4	-66.1	162.2	0	0	0	111.2	M269 T270 D275 P283 F284 L285	M269-I273 WeakPolarHBondContact O-CD1 3.46Å; M269-I273 WeakPolarHBondContact O-CG1 3.24Å; M269-I273 PolarHBondContact O-N 2.62Å; T270-I273 PolarHBondContact O-N 3.41Å; I273-D275 HydrophobicContact CG2-CB 3.49Å; I273-D275 VanDerWaalsContact CG2-CB 3.49Å; I273-D275 PolarHBondContact O-N 3.02Å; I273-D275 VanDerWaalsContact O-N 3.1Å; I273-P283 HydrophobicContact CD1-CB 4.15Å; I273-F284 WeakPolarHBondContact CD1-O 3.24Å; I273-L285 HydrophobicContact CD1-CD2 3.85Å; I273-L285 HydrophobicContact CD1-CG 4.43Å; I273-L285 HydrophobicContact CG1-CD2 3.55Å
274	D	63.3	Low	77.8	Confident	107 Å²	107	78.4 Å²	78.4	57%	0.572	40%	0.401	S	S	*	.			trans	40.4	44.3	-176.5	-159.7	20	0	0	0	113.7	T270	T270-D274 PolarHBondContact O-N 3.21Å; T270-D274 VanDerWaalsContact O-N 3.09Å
275	D	61.2	Low	77.6	Confident	60 Å²	60	73.5 Å²	73.5	32%	0.321	38%	0.379	S	S	.	.			trans	-108.5	100	-178	-165.6	-19.7	0	0	0	109.2	I273 M277 R278	I273-D275 HydrophobicContact CG2-CB 3.49Å; I273-D275 VanDerWaalsContact CG2-CB 3.49Å; I273-D275 PolarHBondContact O-N 3.02Å; I273-D275 VanDerWaalsContact O-N 3.1Å; D275-M277 PolarHBondContact O-N 3.25Å; D275-M277 WeakPolarHBondContact OD1-CA 3.41Å; D275-M277 WeakPolarHBondContact OD1-CB 3.33Å; D275-M277 PolarHBondContact OD1-N 2.97Å; D275-R278 HydrophobicContact CB-CG 4.31Å; D275-R278 PolarHBondContact OD1-N 2.86Å; D275-R278 WeakPolarHBondContact OD2-CD 3.21Å; D275-R278 WeakPolarHBondContact OD2-CG 3.48Å; D275-R278 IonicContact OD2-CZ 3.83Å; D275-R278 IonicContact OD2-NE 2.78Å; D275-R278 PolarHBondContact OD2-NE 2.83Å; D275-R278 IonicContact OD2-NH2 4Å
276	T	52.3	Low	77.3	Confident	122 Å²	122	77 Å²	77	75%	0.748	40%	0.395	S	S	*	.	S	Bend	trans	-74.7	-6.2	174	50.1	0	0	0	0	112.9
277	M	51.8	Low	77	Confident	150 Å²	150	73 Å²	73	74%	0.739	38%	0.38	S	S	*	.	S	Bend	trans	-98.3	-20.4	-176.5	-54.7	-75.2	94.1	0	0	113.3	D275 E279	D275-M277 PolarHBondContact O-N 3.25Å; D275-M277 WeakPolarHBondContact OD1-CA 3.41Å; D275-M277 WeakPolarHBondContact OD1-CB 3.33Å; D275-M277 PolarHBondContact OD1-N 2.97Å; M277-E279 PolarHBondContact O-N 2.74Å
278	R	68.4	Low	76.9	Confident	59 Å²	59	68.3 Å²	68.3	22%	0.223	36%	0.359	C	S	.	.			trans	-71.4	96.5	170.9	-75.9	175.7	-148	-163.6	4	109.2	D275 T280 E289	D275-R278 HydrophobicContact CB-CG 4.31Å; D275-R278 PolarHBondContact OD1-N 2.86Å; D275-R278 WeakPolarHBondContact OD2-CD 3.21Å; D275-R278 WeakPolarHBondContact OD2-CG 3.48Å; D275-R278 IonicContact OD2-CZ 3.83Å; D275-R278 IonicContact OD2-NE 2.78Å; D275-R278 PolarHBondContact OD2-NE 2.83Å; D275-R278 IonicContact OD2-NH2 4Å; R278-T280 PolarHBondContact O-N 2.88Å; R278-E289 IonicContact CZ-OE1 2.64Å; R278-E289 IonicContact CZ-OE2 3.24Å; R278-E289 IonicContact NH1-OE1 3.81Å; R278-E289 PolarHBondContact NH1-OE1 2.72Å; R278-E289 IonicContact NH1-OE2 2.71Å; R278-E289 PolarHBondContact NH1-OE2 2.96Å; R278-E289 IonicContact NH2-OE1 2.74Å; R278-E289 PolarHBondContact NH2-OE1 3.01Å; R278-E289 IonicContact NH2-OE2 3.56Å
279	E	57.5	Low	76.9	Confident	201 Å²	201	66.5 Å²	66.5	94%	0.939	35%	0.353	S	S	*	.			trans	-68.9	50.9	173.2	-62	-175.9	167.7	0	0	112.5	M277	M277-E279 PolarHBondContact O-N 2.74Å
280	T	64.8	Low	76.9	Confident	74 Å²	74	66.4 Å²	66.4	45%	0.454	35%	0.352	S	S	.	.			trans	-113.8	137	-177.1	55.4	0	0	0	0	112.1	R278 E282 F284	R278-T280 PolarHBondContact O-N 2.88Å; T280-E282 VanDerWaalsContact C-N 3.33Å; T280-E282 PolarHBondContact O-N 3.43Å; T280-F284 HydrophobicContact CG2-CE1 3.94Å
281	A	69.3	Low	77.1	Confident	108 Å²	108	62.6 Å²	62.6	89%	0.893	33%	0.329	S	S	*	.	S	Bend	trans	-70	-25.3	-178.2	0	0	0	0	0	114.2
282	E	81.5	Confident	77.4	Confident	95 Å²	95	58.2 Å²	58.2	44%	0.444	31%	0.313	S	S	.	.	S	Bend	trans	-129.7	142.2	175.8	-69	-156.6	129.4	0	0	111.6	R266 T280	R266-E282 IonicContact NH2-OE1 3.41Å; R266-E282 PolarHBondContact NH2-OE1 2.78Å; T280-E282 VanDerWaalsContact C-N 3.33Å; T280-E282 PolarHBondContact O-N 3.43Å
283	P	88.1	Confident	77.8	Confident	18 Å²	18	58.2 Å²	58.2	12%	0.117	31%	0.313	C	S	.	.			trans	-73.9	145.3	-179.5	31.6	-35.4	0	0	0	111.6	L243 R266 M269 I273	L243-P283 HydrophobicContact CD1-CG 4.4Å; R266-P283 HydrophobicContact CG-CG 3.82Å; M269-P283 HydrophobicContact CB-CB 3.98Å; M269-P283 HydrophobicContact CB-CG 4.05Å; M269-P283 HydrophobicContact SD-CG 4.38Å; I273-P283 HydrophobicContact CD1-CB 4.15Å
284	F	87.6	Confident	78.5	Confident	35 Å²	35	56.9 Å²	56.9	15%	0.154	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	154	172.8	68.2	-85	0	0	0	109.3	A240 I241 I273 T280 F286	A240-F284 HydrophobicContact CB-CD2 3.79Å; A240-F284 HydrophobicContact CB-CE2 4.42Å; I241-F284 WeakPolarHBondContact O-CA 3.25Å; I273-F284 WeakPolarHBondContact CD1-O 3.24Å; T280-F284 HydrophobicContact CG2-CE1 3.94Å; F284-F286 HydrophobicContact CE2-CD1 4.34Å; F284-F286 HydrophobicContact CE2-CD2 4.26Å; F284-F286 AromaticContact CE2-CE1 3.89Å; F284-F286 HydrophobicContact CE2-CE1 3.89Å; F284-F286 AromaticContact CE2-CE2 3.8Å; F284-F286 HydrophobicContact CE2-CE2 3.8Å; F284-F286 AromaticContact CE2-CZ 3.6Å; F284-F286 HydrophobicContact CE2-CZ 3.6Å; F284-F286 HydrophobicContact CZ-CE2 4.32Å; F284-F286 HydrophobicContact CZ-CZ 4.11Å
285	L	88.4	Confident	80.1	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	134.4	175	-68.1	168.2	0	0	0	109.4	A240 I241 F246 M269 F272 I273 E289 F290	A240-L285 CarbonylContact C-O 3.59Å; A240-L285 WeakPolarHBondContact CA-O 3.42Å; I241-L285 PolarHBondContact N-O 2.8Å; I241-L285 PolarHBondContact O-N 2.77Å; F246-L285 HydrophobicContact CD2-CD1 4.21Å; F246-L285 HydrophobicContact CE2-CD1 4.16Å; M269-L285 HydrophobicContact CE-CD1 4.29Å; M269-L285 HydrophobicContact CE-CG 3.99Å; F272-L285 HydrophobicContact CD1-CD2 3.92Å; F272-L285 HydrophobicContact CE1-CD2 4.24Å; I273-L285 HydrophobicContact CD1-CD2 3.85Å; I273-L285 HydrophobicContact CD1-CG 4.43Å; I273-L285 HydrophobicContact CG1-CD2 3.55Å; L285-E289 HydrophobicContact CB-CB 4.35Å; L285-E289 HydrophobicContact CD2-CB 3.98Å; L285-F290 HydrophobicContact CB-CB 4.37Å; L285-F290 HydrophobicContact CD1-CD2 4.46Å
286	F	87	Confident	81.7	Confident	73 Å²	73	49.3 Å²	49.3	32%	0.32	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	157.3	161.1	-66.6	-71.8	0	0	0	110	F284 D288 E289 F290	F284-F286 HydrophobicContact CE2-CD1 4.34Å; F284-F286 HydrophobicContact CE2-CD2 4.26Å; F284-F286 AromaticContact CE2-CE1 3.89Å; F284-F286 HydrophobicContact CE2-CE1 3.89Å; F284-F286 AromaticContact CE2-CE2 3.8Å; F284-F286 HydrophobicContact CE2-CE2 3.8Å; F284-F286 AromaticContact CE2-CZ 3.6Å; F284-F286 HydrophobicContact CE2-CZ 3.6Å; F284-F286 HydrophobicContact CZ-CE2 4.32Å; F284-F286 HydrophobicContact CZ-CZ 4.11Å; F286-D288 VanDerWaalsContact C-N 3.25Å; F286-D288 WeakPolarHBondContact CB-OD1 3.49Å; F286-D288 PolarHBondContact O-N 3Å; F286-E289 HydrophobicContact CB-CG 4.1Å; F286-E289 WeakPolarHBondContact CD2-OE2 3.24Å; F286-E289 PolarHBondContact N-OE2 2.88Å; F286-E289 CarbonylContact O-C 3.56Å; F286-E289 WeakPolarHBondContact O-CA 3.21Å; F286-E289 WeakPolarHBondContact O-CB 3.4Å; F286-E289 PolarHBondContact O-N 2.85Å; F286-F290 PolarHBondContact O-N 3.44Å
287	V	86.2	Confident	83.6	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.2	-32.9	-177.7	172.4	0	0	0	0	112.5	F211 L218 L230 P236 S239 I241 F290 L291	F211-V287 HydrophobicContact CE2-CG1 4.1Å; F211-V287 HydrophobicContact CZ-CG1 4.43Å; L218-V287 HydrophobicContact CD1-CG1 3.43Å; L218-V287 VanDerWaalsContact CD1-CG1 3.43Å; L218-V287 HydrophobicContact CD2-CG1 4.37Å; L230-V287 HydrophobicContact CD2-CG1 4.26Å; P236-V287 WeakPolarHBondContact O-CB 3.38Å; P236-V287 VanDerWaalsContact O-CG2 3.24Å; P236-V287 WeakPolarHBondContact O-CG2 3.35Å; S239-V287 WeakPolarHBondContact O-CG2 3.25Å; S239-V287 PolarHBondContact O-N 3.2Å; I241-V287 HydrophobicContact CD1-CG2 4.49Å; V287-F290 PolarHBondContact O-N 3.32Å; V287-L291 WeakPolarHBondContact O-CB 3.31Å; V287-L291 PolarHBondContact O-N 3.42Å
288	D	85.6	Confident	85.6	Confident	35 Å²	35	40.9 Å²	40.9	19%	0.187	21%	0.214	C	C	.	.	H	α-helix	trans	-68.7	-34.7	173.5	71.2	-66.1	0	0	0	112.5	F211 F286 L291 T292	F211-D288 HydrophobicContact CB-CB 4.37Å; F211-D288 HydrophobicContact CD2-CB 3.61Å; F211-D288 HydrophobicContact CE2-CB 4.1Å; F211-D288 HydrophobicContact CG-CB 4.08Å; F286-D288 VanDerWaalsContact C-N 3.25Å; F286-D288 WeakPolarHBondContact CB-OD1 3.49Å; F286-D288 PolarHBondContact O-N 3Å; D288-L291 PolarHBondContact O-N 2.87Å; D288-T292 WeakPolarHBondContact O-CB 3.48Å; D288-T292 PolarHBondContact O-N 2.83Å; D288-T292 PolarHBondContact O-OG1 2.92Å
289	E	89.6	Confident	86.9	Confident	19 Å²	19	38.1 Å²	38.1	9%	0.089	20%	0.204	C	C	.	.	H	α-helix	trans	-70.1	-38.9	174.7	-60.1	-178.7	143.9	0	0	111.2	R278 L285 F286 T292 Y293	R278-E289 IonicContact CZ-OE1 2.64Å; R278-E289 IonicContact CZ-OE2 3.24Å; R278-E289 IonicContact NH1-OE1 3.81Å; R278-E289 PolarHBondContact NH1-OE1 2.72Å; R278-E289 IonicContact NH1-OE2 2.71Å; R278-E289 PolarHBondContact NH1-OE2 2.96Å; R278-E289 IonicContact NH2-OE1 2.74Å; R278-E289 PolarHBondContact NH2-OE1 3.01Å; R278-E289 IonicContact NH2-OE2 3.56Å; L285-E289 HydrophobicContact CB-CB 4.35Å; L285-E289 HydrophobicContact CD2-CB 3.98Å; F286-E289 HydrophobicContact CB-CG 4.1Å; F286-E289 WeakPolarHBondContact CD2-OE2 3.24Å; F286-E289 PolarHBondContact N-OE2 2.88Å; F286-E289 CarbonylContact O-C 3.56Å; F286-E289 WeakPolarHBondContact O-CA 3.21Å; F286-E289 WeakPolarHBondContact O-CB 3.4Å; F286-E289 PolarHBondContact O-N 2.85Å; E289-T292 CarbonylContact O-C 3.57Å; E289-T292 WeakPolarHBondContact O-CB 3.44Å; E289-T292 PolarHBondContact O-N 2.77Å; E289-Y293 PolarHBondContact O-N 3.07Å
290	F	91.1	Very high	88.8	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64.5	-44.9	172.3	174.9	-107	0	0	0	111.8	F221 I229 I241 F246 F249 L285 F286 V287 T292 Y293 L294	F221-F290 HydrophobicContact CE2-CE1 4.41Å; F221-F290 HydrophobicContact CZ-CE1 4.34Å; F221-F290 HydrophobicContact CZ-CZ 4.49Å; I229-F290 HydrophobicContact CG2-CD1 4.47Å; I229-F290 HydrophobicContact CG2-CE1 3.92Å; I229-F290 HydrophobicContact CG2-CZ 4.16Å; I241-F290 HydrophobicContact CD1-CB 3.41Å; I241-F290 VanDerWaalsContact CD1-CB 3.41Å; I241-F290 HydrophobicContact CD1-CD1 3.5Å; I241-F290 HydrophobicContact CD1-CD2 3.78Å; I241-F290 HydrophobicContact CD1-CE1 4.17Å; I241-F290 HydrophobicContact CD1-CE2 4.41Å; I241-F290 HydrophobicContact CD1-CG 3.26Å; F246-F290 HydrophobicContact CD2-CD2 4.3Å; F246-F290 HydrophobicContact CD2-CE2 4.21Å; F246-F290 HydrophobicContact CE2-CD2 4.28Å; F246-F290 HydrophobicContact CE2-CE2 4.19Å; F249-F290 AromaticContact CD1-CE2 3.88Å; F249-F290 HydrophobicContact CD1-CE2 3.88Å; F249-F290 HydrophobicContact CD1-CZ 4.28Å; F249-F290 HydrophobicContact CD2-CE2 4.5Å; F249-F290 HydrophobicContact CD2-CZ 4.09Å; F249-F290 AromaticContact CE1-CE2 3.83Å; F249-F290 HydrophobicContact CE1-CE2 3.83Å; F249-F290 HydrophobicContact CE1-CZ 4.14Å; F249-F290 HydrophobicContact CE2-CE2 4.46Å; F249-F290 AromaticContact CE2-CZ 3.96Å; F249-F290 HydrophobicContact CE2-CZ 3.96Å; F249-F290 HydrophobicContact CG-CE2 4.22Å; F249-F290 HydrophobicContact CG-CZ 4.24Å; F249-F290 HydrophobicContact CZ-CE2 4.13Å; F249-F290 AromaticContact CZ-CZ 3.98Å; F249-F290 HydrophobicContact CZ-CZ 3.98Å; L285-F290 HydrophobicContact CB-CB 4.37Å; L285-F290 HydrophobicContact CD1-CD2 4.46Å; F286-F290 PolarHBondContact O-N 3.44Å; V287-F290 PolarHBondContact O-N 3.32Å; F290-T292 PolarHBondContact O-N 2.81Å; F290-Y293 WeakPolarHBondContact O-CA 3.39Å; F290-Y293 WeakPolarHBondContact O-CB 3.33Å; F290-Y293 PolarHBondContact O-N 2.92Å; F290-Y293 VanDerWaalsContact O-N 3.08Å; F290-L294 HydrophobicContact CD1-CD1 4.4Å; F290-L294 HydrophobicContact CE1-CD1 3.93Å; F290-L294 HydrophobicContact CE1-CD2 4.42Å; F290-L294 HydrophobicContact CE1-CG 4.24Å; F290-L294 HydrophobicContact CE2-CD2 4.3Å; F290-L294 HydrophobicContact CZ-CD1 4.31Å; F290-L294 HydrophobicContact CZ-CD2 3.97Å; F290-L294 HydrophobicContact CZ-CG 4.25Å; F290-L294 WeakPolarHBondContact O-CG 3.45Å; F290-L294 PolarHBondContact O-N 3.1Å
291	L	91.4	Very high	90.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-59.8	-36.4	173.6	-175.5	59.7	0	0	0	111	F211 Q214 L218 V287 D288 L294 F295	F211-L291 HydrophobicContact CD2-CD2 3.92Å; F211-L291 HydrophobicContact CE2-CD2 4.37Å; Q214-L291 HydrophobicContact CB-CD2 3.91Å; L218-L291 HydrophobicContact CD2-CD1 4.37Å; V287-L291 WeakPolarHBondContact O-CB 3.31Å; V287-L291 PolarHBondContact O-N 3.42Å; D288-L291 PolarHBondContact O-N 2.87Å; L291-L294 HydrophobicContact CD1-CD1 4.25Å; L291-L294 PolarHBondContact O-N 3.14Å; L291-F295 HydrophobicContact CD1-CE2 4.29Å; L291-F295 WeakPolarHBondContact O-CD2 3.43Å
292	T	92.6	Very high	91.6	Very high	31 Å²	31	21.5 Å²	21.5	19%	0.19	10%	0.103	C	C	.	.	H	α-helix	trans	-68	-40.7	173.5	-61.1	0	0	0	0	112.3	F272 D288 E289 F290 L294 F295 A296 R1071	F272-T292 HydrophobicContact CZ-CG2 4.25Å; D288-T292 WeakPolarHBondContact O-CB 3.48Å; D288-T292 PolarHBondContact O-N 2.83Å; D288-T292 PolarHBondContact O-OG1 2.92Å; E289-T292 CarbonylContact O-C 3.57Å; E289-T292 WeakPolarHBondContact O-CB 3.44Å; E289-T292 PolarHBondContact O-N 2.77Å; F290-T292 PolarHBondContact O-N 2.81Å; T292-L294 VanDerWaalsContact C-N 3.27Å; T292-L294 PolarHBondContact O-N 2.8Å; T292-F295 PolarHBondContact O-N 3.39Å; T292-A296 PolarHBondContact O-N 2.98Å; T292-A296 VanDerWaalsContact O-N 3.12Å; T292-R1071 PolarHBondContact OG1-NH1 3.44Å; T292-R1071 VanDerWaalsContact OG1-NH1 3.09Å
293	Y	94.5	Very high	92.2	Very high	6 Å²	6	18.7 Å²	18.7	2%	0.024	9%	0.092	C	C	.	.	H	α-helix	trans	-57.4	-39.5	173.3	175.7	-92	0	0	0	111.9	F246 F249 F272 E289 F290 F295 A296 E298 N299	F246-Y293 AromaticContact CE2-CD1 3.92Å; F246-Y293 HydrophobicContact CE2-CD1 3.92Å; F246-Y293 AromaticContact CE2-CE1 3.74Å; F246-Y293 HydrophobicContact CE2-CE1 3.74Å; F246-Y293 HydrophobicContact CZ-CD1 4.11Å; F246-Y293 HydrophobicContact CZ-CD2 4.5Å; F246-Y293 AromaticContact CZ-CE1 3.6Å; F246-Y293 HydrophobicContact CZ-CE1 3.6Å; F246-Y293 HydrophobicContact CZ-CE2 4.02Å; F246-Y293 AromaticContact CZ-CZ 3.55Å; F249-Y293 HydrophobicContact CE1-CE1 4.43Å; F272-Y293 HydrophobicContact CD1-CD2 4.16Å; F272-Y293 HydrophobicContact CD2-CD2 4Å; F272-Y293 HydrophobicContact CE1-CD2 4.29Å; F272-Y293 HydrophobicContact CE2-CD2 4.13Å; F272-Y293 HydrophobicContact CG-CD2 4Å; F272-Y293 HydrophobicContact CZ-CD2 4.28Å; E289-Y293 PolarHBondContact O-N 3.07Å; F290-Y293 WeakPolarHBondContact O-CA 3.39Å; F290-Y293 WeakPolarHBondContact O-CB 3.33Å; F290-Y293 PolarHBondContact O-N 2.92Å; F290-Y293 VanDerWaalsContact O-N 3.08Å; Y293-F295 VanDerWaalsContact C-N 3.26Å; Y293-F295 PolarHBondContact O-N 3.19Å; Y293-A296 VanDerWaalsContact O-CB 3.27Å; Y293-A296 WeakPolarHBondContact O-CB 3.47Å; Y293-A296 PolarHBondContact O-N 3.25Å; Y293-E298 HydrophobicContact CE2-CB 4.09Å; Y293-N299 HydrophobicContact CD1-CB 4.35Å; Y293-N299 HydrophobicContact CE1-CB 3.91Å; Y293-N299 VanDerWaalsContact O-CB 3.25Å; Y293-N299 WeakPolarHBondContact O-CB 3.47Å
294	L	95.4	Very high	92.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-58.4	-37	178.9	-68.9	178.9	0	0	0	112.9	F221 F249 F290 L291 T292 N299 F1162 S1164 L1181	F221-L294 HydrophobicContact CE2-CD1 4.07Å; F221-L294 HydrophobicContact CZ-CD1 4.05Å; F249-L294 HydrophobicContact CE1-CD2 4.32Å; F249-L294 HydrophobicContact CE2-CD2 4.36Å; F249-L294 HydrophobicContact CZ-CD2 3.61Å; F290-L294 HydrophobicContact CD1-CD1 4.4Å; F290-L294 HydrophobicContact CE1-CD1 3.93Å; F290-L294 HydrophobicContact CE1-CD2 4.42Å; F290-L294 HydrophobicContact CE1-CG 4.24Å; F290-L294 HydrophobicContact CE2-CD2 4.3Å; F290-L294 HydrophobicContact CZ-CD1 4.31Å; F290-L294 HydrophobicContact CZ-CD2 3.97Å; F290-L294 HydrophobicContact CZ-CG 4.25Å; F290-L294 WeakPolarHBondContact O-CG 3.45Å; F290-L294 PolarHBondContact O-N 3.1Å; L291-L294 HydrophobicContact CD1-CD1 4.25Å; L291-L294 PolarHBondContact O-N 3.14Å; T292-L294 VanDerWaalsContact C-N 3.27Å; T292-L294 PolarHBondContact O-N 2.8Å; L294-N299 PolarHBondContact O-ND2 3.42Å; L294-F1162 HydrophobicContact CD2-CB 4.18Å; L294-S1164 WeakPolarHBondContact O-CB 3.43Å; L294-S1164 PolarHBondContact O-N 3.32Å; L294-L1181 HydrophobicContact CB-CD1 3.92Å; L294-L1181 HydrophobicContact CB-CD2 4.01Å; L294-L1181 HydrophobicContact CD1-CD2 4.26Å
295	F	97	Very high	92.1	Very high	7 Å²	7	26.5 Å²	26.5	3%	0.031	13%	0.125	C	C	.	.	H	α-helix	trans	-86.7	-10	175.8	-75	-90	0	0	0	113.8	I217 L291 T292 Y293 R1071 S1164 S1179 L1181	I217-F295 HydrophobicContact CD1-CE2 4.22Å; I217-F295 HydrophobicContact CD1-CZ 4.05Å; L291-F295 HydrophobicContact CD1-CE2 4.29Å; L291-F295 WeakPolarHBondContact O-CD2 3.43Å; T292-F295 PolarHBondContact O-N 3.39Å; Y293-F295 VanDerWaalsContact C-N 3.26Å; Y293-F295 PolarHBondContact O-N 3.19Å; F295-R1071 HydrophobicContact CB-CG 4.49Å; F295-R1071 HydrophobicContact CD1-CB 4.29Å; F295-R1071 HydrophobicContact CD1-CG 3.74Å; F295-R1071 HydrophobicContact CD2-CG 4.39Å; F295-R1071 HydrophobicContact CE1-CG 3.96Å; F295-R1071 HydrophobicContact CG-CG 3.97Å; F295-R1071 HydrophobicContact CZ-CG 4.39Å; F295-S1164 VanDerWaalsContact C-OG 3.31Å; F295-S1164 WeakPolarHBondContact O-CB 2.94Å; F295-S1164 PolarHBondContact O-OG 3.35Å; F295-S1179 PolarHBondContact O-OG 3.36Å; F295-L1181 HydrophobicContact CD1-CB 3.75Å; F295-L1181 HydrophobicContact CD2-CB 4.28Å; F295-L1181 HydrophobicContact CD2-CD2 4.15Å; F295-L1181 HydrophobicContact CE1-CB 3.3Å; F295-L1181 HydrophobicContact CE2-CB 3.89Å; F295-L1181 HydrophobicContact CE2-CD2 3.61Å; F295-L1181 HydrophobicContact CE2-CG 4.39Å; F295-L1181 HydrophobicContact CG-CB 4.23Å; F295-L1181 HydrophobicContact CZ-CB 3.38Å; F295-L1181 HydrophobicContact CZ-CD2 3.85Å; F295-L1181 HydrophobicContact CZ-CG 4.27Å
296	A	95.4	Very high	92.1	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.008	13%	0.134	C	C	.	.	S	Bend	trans	-72.3	155.3	-172.7	0	0	0	0	0	112.6	T138 F272 T292 Y293 E298 N299 S1164	T138-A296 HydrophobicContact CG2-CB 3.99Å; F272-A296 HydrophobicContact CD2-CB 4.48Å; F272-A296 HydrophobicContact CE2-CB 3.57Å; F272-A296 HydrophobicContact CZ-CB 4.21Å; T292-A296 PolarHBondContact O-N 2.98Å; T292-A296 VanDerWaalsContact O-N 3.12Å; Y293-A296 VanDerWaalsContact O-CB 3.27Å; Y293-A296 WeakPolarHBondContact O-CB 3.47Å; Y293-A296 PolarHBondContact O-N 3.25Å; A296-E298 VanDerWaalsContact CB-OE2 3.26Å; A296-E298 WeakPolarHBondContact CB-OE2 3.39Å; A296-E298 PolarHBondContact O-N 3Å; A296-N299 PolarHBondContact O-N 3.36Å; A296-S1164 WeakPolarHBondContact O-CB 3.26Å; A296-S1164 PolarHBondContact O-OG 2.92Å
297	K	93.1	Very high	92	Very high	75 Å²	75	30.1 Å²	30.1	33%	0.326	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-62.1	-27.2	176.7	69.1	179.4	178.2	178.8	0	112.1	I134 A136 T138 N299 S300	I134-K297 PolarHBondContact O-NZ 2.96Å; A136-K297 WeakPolarHBondContact O-CE 3.46Å; A136-K297 PolarHBondContact O-NZ 2.99Å; T138-K297 PolarHBondContact OG1-N 3.37Å; K297-N299 PolarHBondContact O-N 2.94Å; K297-N299 VanDerWaalsContact O-N 3.17Å; K297-S300 WeakPolarHBondContact O-CB 3.48Å; K297-S300 PolarHBondContact O-N 3.37Å
298	E	93.2	Very high	92	Very high	21 Å²	21	33.7 Å²	33.7	10%	0.098	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-63.4	-13.7	171.7	-61.8	85.5	165.9	0	0	112.5	P137 T138 R268 F272 Y293 A296	P137-E298 VanDerWaalsContact CA-OE1 3.27Å; P137-E298 WeakPolarHBondContact CA-OE1 3.1Å; T138-E298 WeakPolarHBondContact CB-OE2 3.47Å; T138-E298 PolarHBondContact N-OE1 2.6Å; T138-E298 PolarHBondContact OG1-OE2 3.42Å; R268-E298 PolarHBondContact NH2-O 3.04Å; F272-E298 HydrophobicContact CD2-CG 4.36Å; Y293-E298 HydrophobicContact CE2-CB 4.09Å; A296-E298 VanDerWaalsContact CB-OE2 3.26Å; A296-E298 WeakPolarHBondContact CB-OE2 3.39Å; A296-E298 PolarHBondContact O-N 3Å
299	N	96.4	Very high	92.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-113.1	23.5	171.8	-168.5	44.1	0	0	0	112.2	Q254 Y293 L294 A296 K297 F1162 S1164	Q254-N299 PolarHBondContact NE2-OD1 2.76Å; Y293-N299 HydrophobicContact CD1-CB 4.35Å; Y293-N299 HydrophobicContact CE1-CB 3.91Å; Y293-N299 VanDerWaalsContact O-CB 3.25Å; Y293-N299 WeakPolarHBondContact O-CB 3.47Å; L294-N299 PolarHBondContact O-ND2 3.42Å; A296-N299 PolarHBondContact O-N 3.36Å; K297-N299 PolarHBondContact O-N 2.94Å; K297-N299 VanDerWaalsContact O-N 3.17Å; N299-F1162 PolarHBondContact ND2-O 2.86Å; N299-S1164 PolarHBondContact O-N 3.25Å
300	S	96.6	Very high	91.8	Very high	16 Å²	16	38.2 Å²	38.2	11%	0.112	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-52.7	143.1	-179.4	-179	0	0	0	0	112.1	K297 W302 K1159 S1164	K297-S300 WeakPolarHBondContact O-CB 3.48Å; K297-S300 PolarHBondContact O-N 3.37Å; S300-W302 PolarHBondContact O-N 3.11Å; S300-W302 PolarHBondContact OG-N 2.9Å; S300-K1159 WeakPolarHBondContact O-CE 3.3Å; S300-K1159 PolarHBondContact O-NZ 3.12Å; S300-S1164 CarbonylContact C-O 3.5Å; S300-S1164 VanDerWaalsContact CA-O 3.31Å; S300-S1164 WeakPolarHBondContact CA-O 3.17Å
301	I	96.8	Very high	91.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.215	C	C	.	.	S	Bend	trans	-63.3	-27.4	172	-166.5	168.5	0	0	0	111.9	L1132 F1134 F1153 I1158 K1159 R1163 S1164 V1165 V1182	I301-L1132 HydrophobicContact CD1-CD2 4.24Å; I301-F1134 HydrophobicContact CD1-CE2 4.39Å; I301-F1134 HydrophobicContact CD1-CZ 4.45Å; I301-F1153 HydrophobicContact CG2-CD1 4.43Å; I301-F1153 HydrophobicContact CG2-CD2 4.03Å; I301-F1153 HydrophobicContact CG2-CE1 4.07Å; I301-F1153 HydrophobicContact CG2-CE2 3.66Å; I301-F1153 HydrophobicContact CG2-CG 4.4Å; I301-F1153 HydrophobicContact CG2-CZ 3.67Å; I301-I1158 HydrophobicContact CD1-CB 4.41Å; I301-I1158 HydrophobicContact CG1-CB 4.07Å; I301-I1158 CarbonylContact O-C 3.54Å; I301-I1158 WeakPolarHBondContact O-CA 3.13Å; I301-K1159 PolarHBondContact O-N 3.35Å; I301-R1163 HydrophobicContact CB-CB 3.74Å; I301-R1163 HydrophobicContact CB-CG 4.27Å; I301-R1163 HydrophobicContact CG1-CB 4.05Å; I301-R1163 HydrophobicContact CG1-CG 4.23Å; I301-S1164 PolarHBondContact N-O 2.88Å; I301-V1165 HydrophobicContact CB-CG2 4.34Å; I301-V1165 HydrophobicContact CD1-CG2 4.38Å; I301-V1165 HydrophobicContact CG2-CG2 4.08Å; I301-V1182 HydrophobicContact CD1-CG2 4.2Å
302	W	95.8	Very high	90.5	Very high	18 Å²	18	47.3 Å²	47.3	7%	0.068	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-72.1	135.3	178.8	-178.1	-117.1	0	0	0	111.6	S300 Y306 E307 S1029 L1030 F1153 P1154 K1159	S300-W302 PolarHBondContact O-N 3.11Å; S300-W302 PolarHBondContact OG-N 2.9Å; W302-Y306 HydrophobicContact CH2-CG 4.48Å; W302-E307 PolarHBondContact NE1-OE1 3.47Å; W302-S1029 WeakPolarHBondContact CH2-OG 3.27Å; W302-L1030 HydrophobicContact CH2-CD2 3.72Å; W302-L1030 HydrophobicContact CH2-CG 4.35Å; W302-F1153 HydrophobicContact CB-CD1 4.17Å; W302-F1153 HydrophobicContact CB-CE1 4.02Å; W302-F1153 HydrophobicContact CD2-CD1 4.37Å; W302-F1153 HydrophobicContact CE3-CB 4.48Å; W302-F1153 AromaticContact CE3-CD1 3.84Å; W302-F1153 HydrophobicContact CE3-CD1 3.84Å; W302-P1154 HydrophobicContact CZ3-CG 4.42Å; W302-K1159 WeakPolarHBondContact O-CE 3.42Å; W302-K1159 PolarHBondContact O-NZ 3.03Å
303	D	93.6	Very high	90.2	Very high	37 Å²	37	48.6 Å²	48.6	20%	0.198	24%	0.244	C	C	.	.			trans	-86	110.1	173	-169.5	-16.6	0	0	0	110.5	K305 Y306 G1157 K1159	D303-K305 HydrophobicContact CB-CG 4.42Å; D303-K305 PolarHBondContact O-N 3.26Å; D303-K305 WeakPolarHBondContact OD1-CG 3.47Å; D303-K305 PolarHBondContact OD1-N 2.97Å; D303-K305 VanDerWaalsContact OD1-N 3.13Å; D303-K305 WeakPolarHBondContact OD2-CD 3.43Å; D303-K305 WeakPolarHBondContact OD2-CE 3.11Å; D303-K305 IonicContact OD2-NZ 2.83Å; D303-K305 PolarHBondContact OD2-NZ 3.23Å; D303-Y306 HydrophobicContact CB-CD2 4.04Å; D303-Y306 HydrophobicContact CB-CE2 4.23Å; D303-Y306 PolarHBondContact O-N 3.35Å; D303-Y306 VanDerWaalsContact O-N 3.14Å; D303-G1157 PolarHBondContact N-O 2.79Å; D303-K1159 HydrophobicContact CB-CD 4.13Å; D303-K1159 HydrophobicContact CB-CG 3.96Å
304	E	88.1	Confident	90.1	Very high	102 Å²	102	48.3 Å²	48.3	48%	0.477	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-55.9	-20	-178.4	-66.4	173.3	-163.3	0	0	112.8	Y306 E307	E304-Y306 PolarHBondContact O-N 2.95Å; E304-Y306 VanDerWaalsContact O-N 3.17Å; E304-E307 VanDerWaalsContact O-CB 3.3Å; E304-E307 WeakPolarHBondContact O-CB 3.26Å; E304-E307 PolarHBondContact O-N 2.82Å
305	K	86.6	Confident	90.1	Very high	114 Å²	114	51.9 Å²	51.9	50%	0.496	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-58.3	-31.1	177.1	80.2	-171.5	177	-145.1	0	113	D303 E307 S308	D303-K305 HydrophobicContact CB-CG 4.42Å; D303-K305 PolarHBondContact O-N 3.26Å; D303-K305 WeakPolarHBondContact OD1-CG 3.47Å; D303-K305 PolarHBondContact OD1-N 2.97Å; D303-K305 VanDerWaalsContact OD1-N 3.13Å; D303-K305 WeakPolarHBondContact OD2-CD 3.43Å; D303-K305 WeakPolarHBondContact OD2-CE 3.11Å; D303-K305 IonicContact OD2-NZ 2.83Å; D303-K305 PolarHBondContact OD2-NZ 3.23Å; K305-E307 VanDerWaalsContact C-N 3.27Å; K305-E307 PolarHBondContact O-N 3.37Å; K305-S308 PolarHBondContact O-N 3.25Å; K305-S308 PolarHBondContact O-OG 3.45Å
306	Y	88.1	Confident	90	Very high	46 Å²	46	53.9 Å²	53.9	18%	0.18	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-79.6	-8.4	179.4	-65.6	-72.1	0	0	0	113.5	W302 D303 E304 L1030 N1031 G1032 K1156	W302-Y306 HydrophobicContact CH2-CG 4.48Å; D303-Y306 HydrophobicContact CB-CD2 4.04Å; D303-Y306 HydrophobicContact CB-CE2 4.23Å; D303-Y306 PolarHBondContact O-N 3.35Å; D303-Y306 VanDerWaalsContact O-N 3.14Å; E304-Y306 PolarHBondContact O-N 2.95Å; E304-Y306 VanDerWaalsContact O-N 3.17Å; Y306-L1030 HydrophobicContact CD1-CD2 3.78Å; Y306-L1030 HydrophobicContact CE1-CD2 4.38Å; Y306-L1030 HydrophobicContact CG-CD2 3.89Å; Y306-N1031 PolarHBondContact O-N 2.81Å; Y306-N1031 VanDerWaalsContact O-N 3.13Å; Y306-G1032 PolarHBondContact O-N 3.49Å; Y306-K1156 HydrophobicContact CE1-CG 4.39Å; Y306-K1156 WeakPolarHBondContact CE2-O 3.22Å; Y306-K1156 VanDerWaalsContact CZ-O 3.27Å; Y306-K1156 WeakPolarHBondContact OH-CG 3.39Å; Y306-K1156 PolarHBondContact OH-O 3.05Å
307	E	85.8	Confident	89.9	Confident	104 Å²	104	54.6 Å²	54.6	49%	0.486	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-75.9	-14.5	168.3	-55.9	-171.9	166.1	0	0	112	W302 E304 K305 G1032	W302-E307 PolarHBondContact NE1-OE1 3.47Å; E304-E307 VanDerWaalsContact O-CB 3.3Å; E304-E307 WeakPolarHBondContact O-CB 3.26Å; E304-E307 PolarHBondContact O-N 2.82Å; K305-E307 VanDerWaalsContact C-N 3.27Å; K305-E307 PolarHBondContact O-N 3.37Å; E307-G1032 WeakPolarHBondContact O-CA 3.44Å
308	S	86.1	Confident	90.1	Very high	76 Å²	76	51.2 Å²	51.2	53%	0.531	26%	0.263	S	S	.	.	S	Bend	trans	-91	150.4	171.3	75.1	0	0	0	0	111.6	K305	K305-S308 PolarHBondContact O-N 3.25Å; K305-S308 PolarHBondContact O-OG 3.45Å
309	I	87.1	Confident	90.2	Very high	77 Å²	77	50.3 Å²	50.3	40%	0.395	26%	0.259	S	S	.	.			trans	-81.9	127.6	179.1	-57.6	172.8	0	0	0	109	V311 M314 Y399 N1031 T1034	I309-V311 PolarHBondContact O-N 2.6Å; I309-M314 HydrophobicContact CG2-CG 4.49Å; I309-Y399 HydrophobicContact CD1-CE2 4.46Å; I309-Y399 HydrophobicContact CG2-CE2 4.36Å; I309-N1031 WeakPolarHBondContact CA-OD1 3.45Å; I309-T1034 HydrophobicContact CD1-CG2 3.55Å; I309-T1034 HydrophobicContact CG1-CG2 3.65Å; I309-T1034 HydrophobicContact CG2-CG2 4.33Å
310	D	83.4	Confident	90.2	Very high	72 Å²	72	51.6 Å²	51.6	39%	0.385	27%	0.266	S	S	.	.			trans	-85.5	100.7	165.2	-165.8	-26	0	0	0	109.4	Q312 D313 N1031	D310-Q312 PolarHBondContact O-N 3.32Å; D310-Q312 VanDerWaalsContact O-N 3.17Å; D310-Q312 VanDerWaalsContact OD1-CB 3.31Å; D310-Q312 WeakPolarHBondContact OD1-CB 3.25Å; D310-Q312 PolarHBondContact OD1-N 3.26Å; D310-D313 HydrophobicContact CB-CB 4.21Å; D310-D313 PolarHBondContact O-N 3.4Å; D310-D313 VanDerWaalsContact O-N 3.15Å; D310-N1031 PolarHBondContact N-OD1 3.18Å
311	V	79.9	Confident	90.2	Very high	85 Å²	85	50.9 Å²	50.9	52%	0.515	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-61.1	-26	-178.2	-176.3	0	0	0	0	112	I309 M314 N315	I309-V311 PolarHBondContact O-N 2.6Å; V311-M314 PolarHBondContact O-N 2.87Å; V311-N315 PolarHBondContact O-ND2 2.59Å
312	Q	75.5	Confident	90.3	Very high	105 Å²	105	51 Å²	51	49%	0.491	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-72.1	-36.2	-179.8	-64.9	-70.2	-36	0	0	111.3	D310 M314 N315 R1201	D310-Q312 PolarHBondContact O-N 3.32Å; D310-Q312 VanDerWaalsContact O-N 3.17Å; D310-Q312 VanDerWaalsContact OD1-CB 3.31Å; D310-Q312 WeakPolarHBondContact OD1-CB 3.25Å; D310-Q312 PolarHBondContact OD1-N 3.26Å; Q312-M314 PolarHBondContact O-N 3.09Å; Q312-N315 PolarHBondContact O-ND2 3.17Å; Q312-R1201 VanDerWaalsContact CD-NH2 3.3Å
313	D	85.8	Confident	90.4	Very high	58 Å²	58	50.3 Å²	50.3	31%	0.31	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-69.4	-12.8	-179.4	-76.1	-2	0	0	0	112.8	D310 Y321 L1038	D310-D313 HydrophobicContact CB-CB 4.21Å; D310-D313 PolarHBondContact O-N 3.4Å; D310-D313 VanDerWaalsContact O-N 3.15Å; D313-Y321 WeakPolarHBondContact O-CE1 3.14Å; D313-Y321 VanDerWaalsContact O-CZ 3.22Å; D313-Y321 PolarHBondContact O-OH 3.36Å; D313-L1038 HydrophobicContact CB-CB 4.32Å; D313-L1038 HydrophobicContact CB-CD2 3.92Å
314	M	93.4	Very high	90.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-93.2	8.7	-174.9	-62.2	-59.4	-74.1	0	0	114.7	I309 V311 Q312 Y321 Y399 P444 T445 N1031 Y1036	I309-M314 HydrophobicContact CG2-CG 4.49Å; V311-M314 PolarHBondContact O-N 2.87Å; Q312-M314 PolarHBondContact O-N 3.09Å; M314-Y321 WeakPolarHBondContact CA-OH 3.29Å; M314-Y321 HydrophobicContact SD-CD1 4.49Å; M314-Y321 HydrophobicContact SD-CE1 3.84Å; M314-Y399 HydrophobicContact CB-CE1 3.9Å; M314-Y399 HydrophobicContact CE-CD1 3.39Å; M314-Y399 HydrophobicContact CE-CD2 3.65Å; M314-Y399 HydrophobicContact CE-CE1 3.32Å; M314-Y399 HydrophobicContact CE-CE2 3.56Å; M314-Y399 HydrophobicContact CE-CG 3.55Å; M314-Y399 HydrophobicContact CG-CE1 4.03Å; M314-Y399 HydrophobicContact CG-CE2 4.4Å; M314-Y399 WeakPolarHBondContact CG-OH 3.34Å; M314-P444 HydrophobicContact CE-CB 3.53Å; M314-P444 HydrophobicContact CE-CG 4.08Å; M314-P444 WeakPolarHBondContact O-CD 3.3Å; M314-T445 WeakPolarHBondContact CB-OG1 3.41Å; M314-T445 WeakPolarHBondContact O-CB 3.14Å; M314-T445 PolarHBondContact O-N 2.84Å; M314-T445 VanDerWaalsContact O-N 3.11Å; M314-T445 PolarHBondContact O-OG1 3.16Å; M314-N1031 PolarHBondContact SD-ND2 2.96Å; M314-Y1036 HydrophobicContact CE-CD2 4.37Å; M314-Y1036 HydrophobicContact CE-CG 4.1Å
315	N	94.2	Very high	91.2	Very high	76 Å²	76	43.8 Å²	43.8	41%	0.406	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-105.7	3.8	-176.6	-56.5	-56.6	0	0	0	114.9	V311 Q312 Y321 S443 T445	V311-N315 PolarHBondContact O-ND2 2.59Å; Q312-N315 PolarHBondContact O-ND2 3.17Å; N315-Y321 PolarHBondContact N-OH 3.42Å; N315-S443 VanDerWaalsContact C-CB 3.49Å; N315-T445 VanDerWaalsContact OD1-CB 3.29Å; N315-T445 WeakPolarHBondContact OD1-CB 3.49Å; N315-T445 PolarHBondContact OD1-OG1 3.27Å
316	N	94.2	Very high	91.7	Very high	48 Å²	48	38.4 Å²	38.4	26%	0.257	20%	0.203	S	C	.	.	S	Bend	trans	-77.8	162.9	173.1	-78	-92.9	0	0	0	110.9	H320 Y321 S443 P444 L1038	N316-H320 HydrophobicContact CB-CB 4.1Å; N316-Y321 HydrophobicContact CB-CE2 3.81Å; N316-Y321 WeakPolarHBondContact CB-OH 3.33Å; N316-Y321 PolarHBondContact N-OH 3.44Å; N316-Y321 WeakPolarHBondContact O-CE2 3.37Å; N316-S443 WeakPolarHBondContact O-CA 3.15Å; N316-S443 WeakPolarHBondContact O-CB 3.4Å; N316-P444 WeakPolarHBondContact O-CD 3.01Å; N316-L1038 HydrophobicContact CB-CD1 3.78Å
317	P	95.3	Very high	92.2	Very high	17 Å²	17	37 Å²	37	11%	0.11	20%	0.199	C	C	.	.			trans	-53.9	145.7	170	-26.6	33.8	0	0	0	113.1	S319 H320 Y321 Q440 L441	P317-S319 PolarHBondContact O-N 3.4Å; P317-H320 WeakPolarHBondContact O-CB 3.09Å; P317-H320 PolarHBondContact O-N 2.87Å; P317-Y321 VanDerWaalsContact O-CD2 3.31Å; P317-Y321 WeakPolarHBondContact O-CD2 3.4Å; P317-Y321 VanDerWaalsContact O-CE2 3.26Å; P317-Y321 WeakPolarHBondContact O-CE2 3.35Å; P317-Q440 HydrophobicContact CG-CB 4.3Å; P317-L441 WeakPolarHBondContact CA-O 3.42Å; P317-L441 WeakPolarHBondContact CB-O 3.32Å
318	L	96.1	Very high	92.7	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.016	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-55.3	-27.8	-179.1	-162.9	64.7	0	0	0	114	H320 Y321 I323 I402 L441 P442 P444 L447 I452 L982 Y1036	L318-H320 PolarHBondContact O-N 3.22Å; L318-Y321 PolarHBondContact O-N 2.98Å; L318-I323 HydrophobicContact CD1-CD1 4.24Å; L318-I323 HydrophobicContact CG-CD1 4.15Å; L318-I402 HydrophobicContact CD2-CD1 4.5Å; L318-L441 HydrophobicContact CB-CB 3.99Å; L318-L441 HydrophobicContact CB-CD1 4.25Å; L318-P442 WeakPolarHBondContact CB-O 3.35Å; L318-P442 PolarHBondContact N-O 3.4Å; L318-P442 VanDerWaalsContact N-O 3.16Å; L318-P444 HydrophobicContact CD1-CG 4.01Å; L318-L447 HydrophobicContact CD2-CD1 4.32Å; L318-I452 HydrophobicContact CD2-CD1 4.49Å; L318-L982 HydrophobicContact CD2-CD1 4.39Å; L318-Y1036 HydrophobicContact CD1-CD1 4.35Å; L318-Y1036 HydrophobicContact CD1-CE1 3.57Å
319	S	95.6	Very high	93.3	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.014	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-63.9	-21.3	176.1	51.1	0	0	0	0	113.9	P317 Y321 N978 Q979 Q1008	P317-S319 PolarHBondContact O-N 3.4Å; S319-Y321 VanDerWaalsContact C-N 3.31Å; S319-Y321 PolarHBondContact O-N 3.21Å; S319-N978 WeakPolarHBondContact CB-O 3.27Å; S319-Q979 WeakPolarHBondContact CB-O 3.41Å; S319-Q979 PolarHBondContact OG-O 3.01Å; S319-Q1008 WeakPolarHBondContact O-CG 3.4Å; S319-Q1008 PolarHBondContact O-NE2 3.17Å
320	H	96.1	Very high	93.8	Very high	28 Å²	28	25.1 Å²	25.1	13%	0.13	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-87.8	7.4	-177.3	-63.4	-179.3	0	0	0	113.9	N316 P317 L318 Q979 L1038 Q1039 R1044	N316-H320 HydrophobicContact CB-CB 4.1Å; P317-H320 WeakPolarHBondContact O-CB 3.09Å; P317-H320 PolarHBondContact O-N 2.87Å; L318-H320 PolarHBondContact O-N 3.22Å; H320-Q979 PolarHBondContact CD2-O 3.27Å; H320-Q979 PolarHBondContact NE2-O 2.81Å; H320-L1038 HydrophobicContact CB-CD1 4.16Å; H320-Q1039 VanDerWaalsContact O-CB 3.27Å; H320-Q1039 WeakPolarHBondContact O-CB 3.45Å; H320-Q1039 WeakPolarHBondContact O-CG 3.44Å; H320-Q1039 PolarHBondContact O-N 3.12Å; H320-R1044 WeakPolarHBondContact ND1-CD 3.4Å
321	Y	97.5	Very high	94.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	142.2	-177.8	-62	-97	0	0	0	110.9	D313 M314 N315 N316 P317 L318 S319 P444 Q1008 Y1036 V1037 L1038	D313-Y321 WeakPolarHBondContact O-CE1 3.14Å; D313-Y321 VanDerWaalsContact O-CZ 3.22Å; D313-Y321 PolarHBondContact O-OH 3.36Å; M314-Y321 WeakPolarHBondContact CA-OH 3.29Å; M314-Y321 HydrophobicContact SD-CD1 4.49Å; M314-Y321 HydrophobicContact SD-CE1 3.84Å; N315-Y321 PolarHBondContact N-OH 3.42Å; N316-Y321 HydrophobicContact CB-CE2 3.81Å; N316-Y321 WeakPolarHBondContact CB-OH 3.33Å; N316-Y321 PolarHBondContact N-OH 3.44Å; N316-Y321 WeakPolarHBondContact O-CE2 3.37Å; P317-Y321 VanDerWaalsContact O-CD2 3.31Å; P317-Y321 WeakPolarHBondContact O-CD2 3.4Å; P317-Y321 VanDerWaalsContact O-CE2 3.26Å; P317-Y321 WeakPolarHBondContact O-CE2 3.35Å; L318-Y321 PolarHBondContact O-N 2.98Å; S319-Y321 VanDerWaalsContact C-N 3.31Å; S319-Y321 PolarHBondContact O-N 3.21Å; Y321-P444 HydrophobicContact CD1-CG 4.35Å; Y321-P444 HydrophobicContact CD2-CG 3.88Å; Y321-P444 HydrophobicContact CE1-CG 4.1Å; Y321-P444 VanDerWaalsContact CE2-CD 3.44Å; Y321-P444 HydrophobicContact CE2-CG 3.58Å; Y321-P444 HydrophobicContact CG-CG 4.25Å; Y321-Q1008 WeakPolarHBondContact O-CB 3.13Å; Y321-Q1008 WeakPolarHBondContact O-CG 3.24Å; Y321-Y1036 HydrophobicContact CG-CD1 4.25Å; Y321-V1037 CarbonylContact C-O 3.49Å; Y321-V1037 VanDerWaalsContact CA-O 3.31Å; Y321-V1037 WeakPolarHBondContact CA-O 3.22Å; Y321-L1038 HydrophobicContact CD1-CB 4.12Å; Y321-L1038 HydrophobicContact CD1-CD1 4.26Å; Y321-L1038 HydrophobicContact CE1-CB 3.87Å; Y321-L1038 HydrophobicContact CE1-CD1 3.78Å; Y321-L1038 HydrophobicContact CE1-CG 4.42Å; Y321-L1038 HydrophobicContact CE2-CD1 4.23Å
322	W	97.9	Very high	95.1	Very high	4 Å²	4	19.1 Å²	19.1	2%	0.015	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	136.9	153.9	-58.2	-57.5	0	0	0	108.7	W1003 L1027 F1028 V1037 Q1039 P1040 M1043 L1129	W322-W1003 AromaticContact CD1-CD1 3.52Å; W322-W1003 HydrophobicContact CZ2-CB 4.43Å; W322-W1003 AromaticContact NE1-CD1 3.89Å; W322-W1003 PolarHBondContact NE1-O 3.33Å; W322-L1027 HydrophobicContact CB-CD2 4.29Å; W322-L1027 HydrophobicContact CD2-CD2 4.38Å; W322-L1027 HydrophobicContact CE3-CD1 3.98Å; W322-L1027 HydrophobicContact CE3-CD2 4.28Å; W322-L1027 HydrophobicContact CG-CD2 4.43Å; W322-L1027 HydrophobicContact CZ3-CD1 4.13Å; W322-F1028 HydrophobicContact CB-CE1 4.38Å; W322-F1028 HydrophobicContact CB-CZ 4.1Å; W322-F1028 WeakPolarHBondContact O-CE1 3.27Å; W322-V1037 HydrophobicContact CE3-CB 4.15Å; W322-V1037 HydrophobicContact CE3-CG1 3.86Å; W322-V1037 HydrophobicContact CZ3-CG1 4.17Å; W322-V1037 PolarHBondContact N-O 2.84Å; W322-V1037 PolarHBondContact O-N 3.25Å; W322-V1037 VanDerWaalsContact O-N 3.09Å; W322-Q1039 HydrophobicContact CD2-CG 3.89Å; W322-Q1039 HydrophobicContact CE3-CG 4.38Å; W322-Q1039 HydrophobicContact CG-CG 4.24Å; W322-Q1039 HydrophobicContact CZ2-CG 4.06Å; W322-P1040 HydrophobicContact CH2-CG 4.02Å; W322-M1043 HydrophobicContact CH2-SD 4.19Å; W322-M1043 HydrophobicContact CZ2-CE 3.92Å; W322-M1043 HydrophobicContact CZ2-SD 3.7Å; W322-L1129 HydrophobicContact CH2-CB 4.34Å; W322-L1129 HydrophobicContact CH2-CD1 3.66Å; W322-L1129 HydrophobicContact CH2-CD2 4.35Å; W322-L1129 HydrophobicContact CH2-CG 4.32Å; W322-L1129 HydrophobicContact CZ2-CD1 3.92Å; W322-L1129 HydrophobicContact CZ2-CD2 4Å; W322-L1129 HydrophobicContact CZ2-CG 4.43Å; W322-L1129 HydrophobicContact CZ3-CD1 4.15Å
323	I	98.6	Very high	95.8	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.01	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	121.2	-172.6	-52.3	178.4	0	0	0	108.6	L318 S325 R354 I402 Q1008 M1009 Y1036	L318-I323 HydrophobicContact CD1-CD1 4.24Å; L318-I323 HydrophobicContact CG-CD1 4.15Å; I323-S325 PolarHBondContact O-N 2.71Å; I323-S325 VanDerWaalsContact O-N 3.16Å; I323-S325 PolarHBondContact O-OG 2.72Å; I323-R354 HydrophobicContact CG2-CB 3.86Å; I323-I402 HydrophobicContact CD1-CD1 4.34Å; I323-Q1008 HydrophobicContact CD1-CB 4.15Å; I323-Q1008 HydrophobicContact CG1-CB 4.2Å; I323-Q1008 PolarHBondContact N-O 2.73Å; I323-M1009 HydrophobicContact CB-CG 4.22Å; I323-M1009 HydrophobicContact CD1-CG 4.22Å; I323-Y1036 HydrophobicContact CB-CE1 4.24Å; I323-Y1036 HydrophobicContact CD1-CD1 4.47Å; I323-Y1036 HydrophobicContact CD1-CE1 3.75Å; I323-Y1036 HydrophobicContact CG1-CD1 3.89Å; I323-Y1036 HydrophobicContact CG1-CE1 3.57Å; I323-Y1036 HydrophobicContact CG2-CD1 4.48Å; I323-Y1036 HydrophobicContact CG2-CE1 3.83Å
324	S	98.5	Very high	95.6	Very high	3 Å²	3	15 Å²	15	2%	0.021	9%	0.086	C	C	.	.			trans	-62.8	118.9	-179.5	-169.4	0	0	0	0	110.2	C353 R354 C355 F1028 G1035	S324-C353 PolarHBondContact O-SG 3.29Å; S324-R354 PolarHBondContact O-N 3.41Å; S324-C355 PolarHBondContact O-N 2.88Å; S324-F1028 VanDerWaalsContact CA-CZ 3.44Å; S324-F1028 VanDerWaalsContact N-CE1 3.3Å; S324-G1035 PolarHBondContact N-O 2.87Å
325	S	98.7	Very high	94.9	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	131.1	-165	-61.5	0	0	0	0	112.1	I323 C355 M1009 A1011 L1012 F1014	I323-S325 PolarHBondContact O-N 2.71Å; I323-S325 VanDerWaalsContact O-N 3.16Å; I323-S325 PolarHBondContact O-OG 2.72Å; S325-C355 WeakPolarHBondContact CA-O 3.42Å; S325-C355 WeakPolarHBondContact OG-CB 3.37Å; S325-M1009 VanDerWaalsContact OG-CA 3.28Å; S325-M1009 WeakPolarHBondContact OG-CA 3.41Å; S325-M1009 WeakPolarHBondContact OG-CB 3.45Å; S325-A1011 WeakPolarHBondContact O-CA 3.24Å; S325-L1012 PolarHBondContact O-N 2.87Å; S325-F1014 WeakPolarHBondContact O-CE2 3.44Å
326	S	98.5	Very high	93.8	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	142.1	177.9	170.6	0	0	0	0	110.8	T329 C353 C355 R984 L1012	S326-T329 WeakPolarHBondContact CB-OG1 3.31Å; S326-T329 WeakPolarHBondContact OG-CA 3.22Å; S326-T329 WeakPolarHBondContact OG-CB 3.39Å; S326-T329 PolarHBondContact OG-OG1 3.19Å; S326-C353 PolarHBondContact N-SG 3.48Å; S326-C355 PolarHBondContact N-O 2.83Å; S326-R984 PolarHBondContact O-NH2 2.99Å; S326-L1012 WeakPolarHBondContact CA-O 3.48Å
327	H	97.9	Very high	92.9	Very high	18 Å²	18	14 Å²	14	8%	0.083	7%	0.074	C	C	.	.	S	Bend	trans	-104.3	139.7	170.1	172.8	-105.4	0	0	0	109.9	T329 E357 P987 A1011 L1012 N1013	H327-T329 PolarHBondContact O-N 3.1Å; H327-T329 VanDerWaalsContact O-N 3.15Å; H327-E357 WeakPolarHBondContact CA-OE2 3.32Å; H327-E357 IonicContact CD2-OE2 3.68Å; H327-E357 PolarHBondContact CD2-OE2 3.36Å; H327-E357 IonicContact CG-OE2 3.74Å; H327-E357 IonicContact NE2-OE2 2.86Å; H327-P987 HydrophobicContact CB-CG 4.26Å; H327-A1011 HydrophobicContact CB-CB 4.04Å; H327-L1012 PolarHBondContact N-O 3.39Å; H327-N1013 PolarHBondContact ND1-OD1 2.75Å
328	N	97.4	Very high	92.4	Very high	6 Å²	6	13.8 Å²	13.8	3%	0.032	7%	0.074	C	C	.	.	S	Bend	trans	41	51.5	-177.9	-76.3	-15.3	0	0	0	113.2	Y330 L331 Q335 E357	N328-Y330 HydrophobicContact CB-CE1 4.02Å; N328-Y330 PolarHBondContact O-N 3.18Å; N328-Y330 PolarHBondContact OD1-OH 3.39Å; N328-L331 HydrophobicContact CB-CD1 3.86Å; N328-L331 HydrophobicContact CB-CG 4.29Å; N328-L331 PolarHBondContact O-N 3.1Å; N328-Q335 PolarHBondContact ND2-OE1 2.81Å; N328-E357 PolarHBondContact N-OE2 3Å
329	T	98.2	Very high	92.2	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.006	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-24.8	-169	-50.3	0	0	0	0	114.6	S326 H327 L331 A344 Y345 C348 I356 E357	S326-T329 WeakPolarHBondContact CB-OG1 3.31Å; S326-T329 WeakPolarHBondContact OG-CA 3.22Å; S326-T329 WeakPolarHBondContact OG-CB 3.39Å; S326-T329 PolarHBondContact OG-OG1 3.19Å; H327-T329 PolarHBondContact O-N 3.1Å; H327-T329 VanDerWaalsContact O-N 3.15Å; T329-L331 VanDerWaalsContact C-N 3.29Å; T329-L331 PolarHBondContact O-N 2.98Å; T329-A344 WeakPolarHBondContact O-CB 3.47Å; T329-Y345 HydrophobicContact CG2-CD1 3.57Å; T329-Y345 HydrophobicContact CG2-CE1 3.88Å; T329-Y345 HydrophobicContact CG2-CG 4.18Å; T329-C348 HydrophobicContact CG2-CB 3.93Å; T329-I356 HydrophobicContact CG2-CB 4.02Å; T329-I356 HydrophobicContact CG2-CG2 3.8Å; T329-E357 PolarHBondContact OG1-N 2.8Å
330	Y	97.4	Very high	92.1	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-22.3	179.2	51.3	-86.9	0	0	0	113.5	N328 S340 S341 D359 I370 H372	N328-Y330 HydrophobicContact CB-CE1 4.02Å; N328-Y330 PolarHBondContact O-N 3.18Å; N328-Y330 PolarHBondContact OD1-OH 3.39Å; Y330-S340 WeakPolarHBondContact CD2-OG 3.44Å; Y330-S340 CarbonylContact O-C 3.48Å; Y330-S340 WeakPolarHBondContact O-CA 3.19Å; Y330-S341 PolarHBondContact O-N 3.15Å; Y330-D359 HydrophobicContact CE1-CB 3.6Å; Y330-I370 HydrophobicContact CD1-CG2 3.68Å; Y330-I370 HydrophobicContact CD2-CG2 4.25Å; Y330-I370 HydrophobicContact CE1-CG2 4.28Å; Y330-I370 HydrophobicContact CG-CG2 3.67Å; Y330-H372 HydrophobicContact CE2-CB 4.01Å; Y330-H372 VanDerWaalsContact OH-CA 3.32Å; Y330-H372 WeakPolarHBondContact OH-CA 3.36Å; Y330-H372 WeakPolarHBondContact OH-CB 3.4Å
331	L	96.1	Very high	92.1	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.088	C	C	.	.	B	Isolated β-bridge	trans	-80.1	138.5	-175.2	-63.5	177.6	0	0	0	112.8	N328 T329 T377	N328-L331 HydrophobicContact CB-CD1 3.86Å; N328-L331 HydrophobicContact CB-CG 4.29Å; N328-L331 PolarHBondContact O-N 3.1Å; T329-L331 VanDerWaalsContact C-N 3.29Å; T329-L331 PolarHBondContact O-N 2.98Å; L331-T377 HydrophobicContact CD2-CG2 3.57Å
332	T	93.8	Very high	92	Very high	30 Å²	30	18.2 Å²	18.2	18%	0.184	10%	0.097	C	C	.	.	S	Bend	trans	-99.9	-4.6	175.6	67.9	0	0	0	0	113.9	V105 E339 A344	V105-T332 HydrophobicContact CG2-CG2 4.24Å; T332-E339 WeakPolarHBondContact CG2-O 3.48Å; T332-E339 PolarHBondContact N-O 3.06Å; T332-E339 PolarHBondContact OG1-O 3.17Å; T332-E339 VanDerWaalsContact OG1-O 3.09Å; T332-A344 HydrophobicContact CG2-CB 4.21Å
333	G	90.3	Very high	91.9	Very high	23 Å²	23	20.4 Å²	20.4	24%	0.237	11%	0.107	C	C	.	.	S	Bend	trans	-157.2	-134.3	-177.8	0	0	0	0	0	112.2	S338 S994 Q1015	G333-S338 VanDerWaalsContact CA-CB 3.45Å; G333-S338 PolarHBondContact N-OG 3.2Å; G333-S994 PolarHBondContact O-OG 2.85Å; G333-Q1015 WeakPolarHBondContact O-CG 3.39Å; G333-Q1015 PolarHBondContact O-NE2 3.4Å
334	D	81	Confident	91.8	Very high	55 Å²	55	20.4 Å²	20.4	29%	0.294	11%	0.107	S	C	.	.			trans	-60.8	164.2	178.2	71.1	52.1	0	0	0	114.2	L336 R337 S338 V992	D334-L336 VanDerWaalsContact C-N 3.29Å; D334-L336 PolarHBondContact O-N 3.35Å; D334-L336 PolarHBondContact OD1-N 2.84Å; D334-R337 PolarHBondContact OD1-N 3.33Å; D334-S338 VanDerWaalsContact O-CB 3.24Å; D334-S338 WeakPolarHBondContact O-CB 3.37Å; D334-S338 PolarHBondContact O-OG 3.05Å; D334-S338 PolarHBondContact OD1-N 3.26Å; D334-S338 VanDerWaalsContact OD1-N 3.1Å; D334-V992 WeakPolarHBondContact CB-O 3.37Å
335	Q	80.1	Confident	91.8	Very high	10 Å²	10	20.2 Å²	20.2	5%	0.047	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-5.1	-177	-58.6	-68.1	-50.3	0	0	113.8	N328 H372 R991 V992 S994 N1013	N328-Q335 PolarHBondContact ND2-OE1 2.81Å; Q335-H372 PolarHBondContact O-ND1 2.91Å; Q335-R991 WeakPolarHBondContact CG-O 3.23Å; Q335-V992 PolarHBondContact N-O 3.29Å; Q335-S994 PolarHBondContact NE2-OG 3.42Å; Q335-N1013 PolarHBondContact NE2-OD1 3.23Å
336	L	71.1	Confident	91.7	Very high	10 Å²	10	20.5 Å²	20.5	5%	0.052	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-37.5	-167.3	-65.5	178.5	0	0	0	114.2	D334 T375 R376 T377 Y495 L845 L848 V992	D334-L336 VanDerWaalsContact C-N 3.29Å; D334-L336 PolarHBondContact O-N 3.35Å; D334-L336 PolarHBondContact OD1-N 2.84Å; L336-T375 HydrophobicContact CD2-CG2 4.13Å; L336-R376 CarbonylContact O-C 3.56Å; L336-R376 WeakPolarHBondContact O-CA 3.47Å; L336-R376 PolarHBondContact O-N 3.26Å; L336-T377 PolarHBondContact O-N 3.4Å; L336-Y495 HydrophobicContact CD1-CD1 4.12Å; L336-Y495 HydrophobicContact CD1-CE1 3.92Å; L336-Y495 HydrophobicContact CD2-CE1 4.09Å; L336-L845 HydrophobicContact CD1-CD2 4.41Å; L336-L848 HydrophobicContact CD1-CD1 4.18Å; L336-V992 HydrophobicContact CD1-CB 4Å; L336-V992 HydrophobicContact CD1-CG1 4.06Å; L336-V992 HydrophobicContact CD2-CG1 4.39Å; L336-V992 HydrophobicContact CG-CB 4.2Å; L336-V992 HydrophobicContact CG-CG1 4.23Å
337	R	75.9	Confident	91.6	Very high	81 Å²	81	21.5 Å²	21.5	31%	0.306	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-132.7	-17.3	-166.9	-57.3	-178.5	-169.8	162.7	7.5	113.2	D334 S506 I509	D334-R337 PolarHBondContact OD1-N 3.33Å; R337-S506 PolarHBondContact NH2-OG 3.09Å; R337-I509 VanDerWaalsContact NH2-CD1 3.33Å; R337-I509 VanDerWaalsContact NH2-CG1 3.32Å
338	S	84.2	Confident	91.6	Very high	14 Å²	14	20.7 Å²	20.7	10%	0.098	11%	0.108	C	C	.	.	S	Bend	trans	-62.4	161.6	-176	77.8	0	0	0	0	113.1	G333 D334 T377	G333-S338 VanDerWaalsContact CA-CB 3.45Å; G333-S338 PolarHBondContact N-OG 3.2Å; D334-S338 VanDerWaalsContact O-CB 3.24Å; D334-S338 WeakPolarHBondContact O-CB 3.37Å; D334-S338 PolarHBondContact O-OG 3.05Å; D334-S338 PolarHBondContact OD1-N 3.26Å; D334-S338 VanDerWaalsContact OD1-N 3.1Å; S338-T377 VanDerWaalsContact O-CA 3.31Å; S338-T377 WeakPolarHBondContact O-CA 3.38Å
339	E	91.5	Very high	91.7	Very high	87 Å²	87	20.4 Å²	20.4	41%	0.407	11%	0.106	S	C	.	.	P	Polyproline II helix	trans	-72.4	132.4	177.1	-176.1	175.6	-167.5	0	0	110.2	K81 T332 T378	K81-E339 IonicContact NZ-OE1 3.88Å; K81-E339 PolarHBondContact NZ-OE1 3.25Å; T332-E339 WeakPolarHBondContact CG2-O 3.48Å; T332-E339 PolarHBondContact N-O 3.06Å; T332-E339 PolarHBondContact OG1-O 3.17Å; T332-E339 VanDerWaalsContact OG1-O 3.09Å; E339-T378 WeakPolarHBondContact CA-OG1 3.31Å; E339-T378 HydrophobicContact CG-CG2 4.44Å; E339-T378 WeakPolarHBondContact CG-OG1 2.98Å
340	S	94.6	Very high	91.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-81.9	132.4	160.5	-53.5	0	0	0	0	109.1	Y330 T378 I380	Y330-S340 WeakPolarHBondContact CD2-OG 3.44Å; Y330-S340 CarbonylContact O-C 3.48Å; Y330-S340 WeakPolarHBondContact O-CA 3.19Å; S340-T378 WeakPolarHBondContact CB-O 3.43Å; S340-T378 PolarHBondContact N-OG1 3.34Å; S340-T378 PolarHBondContact O-OG1 3.32Å; S340-T378 PolarHBondContact OG-O 3.44Å; S340-I380 WeakPolarHBondContact O-CG2 3.24Å
341	S	95.1	Very high	91.4	Very high	8 Å²	8	25.6 Å²	25.6	6%	0.056	13%	0.128	C	C	.	.			trans	-141.8	138.2	-174	-169.3	0	0	0	0	113	Y330 E343 A344	Y330-S341 PolarHBondContact O-N 3.15Å; S341-E343 PolarHBondContact O-N 3.3Å; S341-E343 PolarHBondContact OG-N 2.98Å; S341-A344 WeakPolarHBondContact O-CB 3.37Å; S341-A344 PolarHBondContact O-N 2.58Å
342	T	95.4	Very high	91.4	Very high	30 Å²	30	25.7 Å²	25.7	18%	0.184	13%	0.129	C	C	.	.	H	α-helix	trans	-61.4	-32.7	167.5	47.3	0	0	0	0	111.6	A344 Y345 I346 D384 V385	T342-A344 PolarHBondContact O-N 2.82Å; T342-Y345 WeakPolarHBondContact O-CB 3.4Å; T342-Y345 PolarHBondContact O-N 3.03Å; T342-I346 PolarHBondContact O-N 3.39Å; T342-D384 HydrophobicContact CG2-CB 4.16Å; T342-V385 HydrophobicContact CG2-CG2 3.84Å
343	E	95.1	Very high	91.7	Very high	50 Å²	50	24.2 Å²	24.2	23%	0.234	12%	0.12	C	C	.	.	H	α-helix	trans	-66	-23.7	177.2	-62.2	-60.7	156.7	0	0	112.5	R75 F99 S341 I346 R347	R75-E343 IonicContact CZ-OE1 3.99Å; R75-E343 IonicContact CZ-OE2 3.74Å; R75-E343 IonicContact NH1-OE1 3.73Å; R75-E343 PolarHBondContact NH1-OE1 2.87Å; R75-E343 IonicContact NH1-OE2 3.81Å; R75-E343 IonicContact NH2-OE1 3.12Å; R75-E343 IonicContact NH2-OE2 2.74Å; R75-E343 PolarHBondContact NH2-OE2 3.25Å; F99-E343 HydrophobicContact CE1-CG 4.4Å; S341-E343 PolarHBondContact O-N 3.3Å; S341-E343 PolarHBondContact OG-N 2.98Å; E343-I346 PolarHBondContact O-N 2.72Å; E343-R347 VanDerWaalsContact O-CB 3.22Å; E343-R347 WeakPolarHBondContact O-CB 3.19Å; E343-R347 PolarHBondContact O-N 2.84Å
344	A	97.4	Very high	92.1	Very high	2 Å²	2	23.1 Å²	23.1	2%	0.017	11%	0.109	C	C	.	.	H	α-helix	trans	-66.8	-39.4	175.5	0	0	0	0	0	111.4	F104 T329 T332 S341 T342 R347 C348	F104-A344 HydrophobicContact CE1-CB 4.06Å; F104-A344 HydrophobicContact CZ-CB 4.21Å; T329-A344 WeakPolarHBondContact O-CB 3.47Å; T332-A344 HydrophobicContact CG2-CB 4.21Å; S341-A344 WeakPolarHBondContact O-CB 3.37Å; S341-A344 PolarHBondContact O-N 2.58Å; T342-A344 PolarHBondContact O-N 2.82Å; A344-R347 PolarHBondContact O-N 2.95Å; A344-C348 PolarHBondContact O-N 3.47Å; A344-C348 PolarHBondContact O-SG 3.05Å
345	Y	98.3	Very high	92.9	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-62.1	-49	171.1	-71.1	-80.5	0	0	0	111.9	T329 T342 R347 C348 L349 I356 E357 L358 I380 V385 I389	T329-Y345 HydrophobicContact CG2-CD1 3.57Å; T329-Y345 HydrophobicContact CG2-CE1 3.88Å; T329-Y345 HydrophobicContact CG2-CG 4.18Å; T342-Y345 WeakPolarHBondContact O-CB 3.4Å; T342-Y345 PolarHBondContact O-N 3.03Å; Y345-R347 VanDerWaalsContact C-N 3.28Å; Y345-R347 PolarHBondContact O-N 3.39Å; Y345-C348 PolarHBondContact O-N 3.25Å; Y345-L349 WeakPolarHBondContact O-CB 3.28Å; Y345-L349 VanDerWaalsContact O-CG 3.3Å; Y345-L349 WeakPolarHBondContact O-CG 3.28Å; Y345-L349 PolarHBondContact O-N 3.46Å; Y345-I356 HydrophobicContact CD1-CB 4.38Å; Y345-I356 HydrophobicContact CD1-CD1 3.84Å; Y345-I356 HydrophobicContact CE1-CD1 4.34Å; Y345-E357 VanDerWaalsContact CE1-O 3.25Å; Y345-E357 WeakPolarHBondContact CE1-O 3.4Å; Y345-E357 PolarHBondContact OH-O 3.19Å; Y345-L358 HydrophobicContact CE1-CD1 4.15Å; Y345-L358 HydrophobicContact CE1-CG 4.12Å; Y345-I380 HydrophobicContact CE2-CD1 4.1Å; Y345-V385 HydrophobicContact CD1-CG1 4.39Å; Y345-V385 HydrophobicContact CD2-CG1 3.79Å; Y345-V385 HydrophobicContact CD2-CG2 4.16Å; Y345-V385 HydrophobicContact CE1-CG1 4.16Å; Y345-V385 HydrophobicContact CE2-CB 4.34Å; Y345-V385 HydrophobicContact CE2-CG1 3.5Å; Y345-V385 VanDerWaalsContact CE2-CG1 3.5Å; Y345-V385 HydrophobicContact CE2-CG2 3.81Å; Y345-V385 HydrophobicContact CG-CG1 4.21Å; Y345-I389 HydrophobicContact CD1-CD1 4.36Å; Y345-I389 HydrophobicContact CD1-CG1 4.47Å
346	I	97.3	Very high	93.8	Very high	6 Å²	6	20 Å²	20	3%	0.031	9%	0.093	C	C	.	.	H	α-helix	trans	-58.8	-45.4	179.8	-63.1	173.5	0	0	0	109.8	T342 E343 L349 R350 A388 H392	T342-I346 PolarHBondContact O-N 3.39Å; E343-I346 PolarHBondContact O-N 2.72Å; I346-L349 PolarHBondContact O-N 2.91Å; I346-R350 HydrophobicContact CG2-CG 4.36Å; I346-R350 WeakPolarHBondContact O-CB 3.32Å; I346-R350 WeakPolarHBondContact O-CG 3.49Å; I346-R350 PolarHBondContact O-N 3.49Å; I346-A388 HydrophobicContact CD1-CB 4.09Å; I346-A388 HydrophobicContact CG1-CB 4.09Å; I346-H392 HydrophobicContact CG1-CB 4.32Å; I346-H392 VanDerWaalsContact CG1-CD2 3.48Å; I346-H392 WeakPolarHBondContact CG1-CD2 3.36Å; I346-H392 HydrophobicContact CG2-CB 4.26Å
347	R	96.6	Very high	95.1	Very high	20 Å²	20	19.8 Å²	19.8	8%	0.075	9%	0.091	C	C	.	.	H	α-helix	trans	-61.2	-49.4	178.6	-174.4	57	164.7	134.7	1.5	111.8	Q103 F104 E343 A344 Y345 L349 R350 M351 E1173	Q103-R347 PolarHBondContact O-NH2 2.96Å; F104-R347 HydrophobicContact CD2-CG 3.76Å; F104-R347 HydrophobicContact CE2-CB 4.13Å; F104-R347 HydrophobicContact CE2-CG 3.63Å; F104-R347 HydrophobicContact CG-CG 4.44Å; F104-R347 HydrophobicContact CZ-CB 4.29Å; F104-R347 HydrophobicContact CZ-CG 4.22Å; E343-R347 VanDerWaalsContact O-CB 3.22Å; E343-R347 WeakPolarHBondContact O-CB 3.19Å; E343-R347 PolarHBondContact O-N 2.84Å; A344-R347 PolarHBondContact O-N 2.95Å; Y345-R347 VanDerWaalsContact C-N 3.28Å; Y345-R347 PolarHBondContact O-N 3.39Å; R347-L349 PolarHBondContact O-N 2.65Å; R347-R350 PolarHBondContact O-N 3.19Å; R347-M351 HydrophobicContact CG-SD 3.88Å; R347-M351 VanDerWaalsContact O-CG 3.22Å; R347-M351 WeakPolarHBondContact O-CG 3.29Å; R347-M351 PolarHBondContact O-N 2.75Å; R347-E1173 IonicContact CZ-OE1 3.5Å; R347-E1173 IonicContact NH1-OE1 3.2Å; R347-E1173 PolarHBondContact NH1-OE1 3.36Å; R347-E1173 IonicContact NH2-OE1 2.72Å; R347-E1173 PolarHBondContact NH2-OE1 2.76Å
348	C	98	Very high	96.1	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.007	8%	0.076	C	C	.	.	H	α-helix	trans	-59.2	-46.6	177.9	-68.9	0	0	0	0	111.9	T329 A344 Y345 R350 M351 G352 C353 I356 F1014	T329-C348 HydrophobicContact CG2-CB 3.93Å; A344-C348 PolarHBondContact O-N 3.47Å; A344-C348 PolarHBondContact O-SG 3.05Å; Y345-C348 PolarHBondContact O-N 3.25Å; C348-R350 PolarHBondContact O-N 3.37Å; C348-M351 PolarHBondContact O-N 3.12Å; C348-M351 VanDerWaalsContact O-N 3.16Å; C348-G352 PolarHBondContact O-N 3.31Å; C348-C353 HydrophobicContact CB-CB 3.97Å; C348-C353 WeakPolarHBondContact O-CB 3.34Å; C348-C353 PolarHBondContact O-N 3.21Å; C348-I356 HydrophobicContact CB-CG2 4.49Å; C348-F1014 HydrophobicContact CB-CD1 4.32Å
349	L	98.2	Very high	96.7	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-62.2	-41.8	178.7	-69.8	168	0	0	0	111.8	Y345 I346 R347 M351 G352 R354 I356 I389 H392 V401	Y345-L349 WeakPolarHBondContact O-CB 3.28Å; Y345-L349 VanDerWaalsContact O-CG 3.3Å; Y345-L349 WeakPolarHBondContact O-CG 3.28Å; Y345-L349 PolarHBondContact O-N 3.46Å; I346-L349 PolarHBondContact O-N 2.91Å; R347-L349 PolarHBondContact O-N 2.65Å; L349-M351 VanDerWaalsContact C-N 3.29Å; L349-M351 PolarHBondContact O-N 3.06Å; L349-G352 PolarHBondContact O-N 3.41Å; L349-R354 PolarHBondContact O-NH2 2.9Å; L349-I356 HydrophobicContact CD1-CD1 4.4Å; L349-I356 HydrophobicContact CD2-CD1 4.25Å; L349-I356 HydrophobicContact CD2-CG2 4.42Å; L349-I356 HydrophobicContact CG-CD1 4.5Å; L349-I389 HydrophobicContact CD1-CG1 4.48Å; L349-H392 HydrophobicContact CD1-CB 4.28Å; L349-V401 HydrophobicContact CD2-CG1 4.13Å; L349-V401 HydrophobicContact CD2-CG2 4.22Å
350	R	95.3	Very high	96.8	Very high	73 Å²	73	11.2 Å²	11.2	28%	0.275	5%	0.053	S	C	.	.	H	α-helix	trans	-68.6	-25	175.8	-74.7	-176.6	175	-77	-2.6	113.5	E73 I346 R347 C348 G352 H392	E73-R350 VanDerWaalsContact CD-CZ 3.41Å; E73-R350 VanDerWaalsContact CD-NE 3.34Å; E73-R350 IonicContact OE1-CZ 3.37Å; E73-R350 IonicContact OE1-NE 3.16Å; E73-R350 IonicContact OE1-NH2 3.13Å; E73-R350 PolarHBondContact OE1-NH2 2.95Å; E73-R350 IonicContact OE2-CZ 2.98Å; E73-R350 IonicContact OE2-NE 3.82Å; E73-R350 PolarHBondContact OE2-NE 2.81Å; E73-R350 IonicContact OE2-NH2 3.84Å; E73-R350 PolarHBondContact OE2-NH2 2.88Å; I346-R350 HydrophobicContact CG2-CG 4.36Å; I346-R350 WeakPolarHBondContact O-CB 3.32Å; I346-R350 WeakPolarHBondContact O-CG 3.49Å; I346-R350 PolarHBondContact O-N 3.49Å; R347-R350 PolarHBondContact O-N 3.19Å; C348-R350 PolarHBondContact O-N 3.37Å; R350-G352 PolarHBondContact O-N 3.38Å; R350-H392 PolarHBondContact NH2-ND1 2.81Å
351	M	95.3	Very high	96.4	Very high	37 Å²	37	12.7 Å²	12.7	18%	0.182	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	3.8	170.9	-67.1	170.3	85.1	0	0	112.9	F104 R347 C348 L349 F1014 H1025	F104-M351 HydrophobicContact CD2-SD 4.15Å; F104-M351 HydrophobicContact CE2-SD 4.21Å; R347-M351 HydrophobicContact CG-SD 3.88Å; R347-M351 VanDerWaalsContact O-CG 3.22Å; R347-M351 WeakPolarHBondContact O-CG 3.29Å; R347-M351 PolarHBondContact O-N 2.75Å; C348-M351 PolarHBondContact O-N 3.12Å; C348-M351 VanDerWaalsContact O-N 3.16Å; L349-M351 VanDerWaalsContact C-N 3.29Å; L349-M351 PolarHBondContact O-N 3.06Å; M351-F1014 HydrophobicContact CB-CE1 4.5Å; M351-F1014 HydrophobicContact SD-CD1 4.3Å; M351-H1025 WeakPolarHBondContact CE-CE1 3.24Å; M351-H1025 WeakPolarHBondContact CE-NE2 3.3Å
352	G	96.1	Very high	95.7	Very high	2 Å²	2	15.7 Å²	15.7	2%	0.021	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	6.8	179	0	0	0	0	0	114.4	C348 L349 R350 R354 G1035	C348-G352 PolarHBondContact O-N 3.31Å; L349-G352 PolarHBondContact O-N 3.41Å; R350-G352 PolarHBondContact O-N 3.38Å; G352-R354 WeakPolarHBondContact O-CG 3.36Å; G352-R354 PolarHBondContact O-NE 3.11Å; G352-G1035 WeakPolarHBondContact O-CA 3.34Å
353	C	98.3	Very high	95.2	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.069	C	C	.	.			trans	-62.9	136.2	176	-168.6	0	0	0	0	110.8	S324 S326 C348 C355 F1014	S324-C353 PolarHBondContact O-SG 3.29Å; S326-C353 PolarHBondContact N-SG 3.48Å; C348-C353 HydrophobicContact CB-CB 3.97Å; C348-C353 WeakPolarHBondContact O-CB 3.34Å; C348-C353 PolarHBondContact O-N 3.21Å; C353-C355 PolarHBondContact SG-O 3.39Å; C353-F1014 HydrophobicContact CB-CE1 3.74Å; C353-F1014 HydrophobicContact CB-CZ 3.82Å
354	R	98.5	Very high	94.4	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.099	C	C	.	.			trans	-120.3	-13.8	-174.6	-61.1	-66.2	87.6	-174.8	-1.8	113.7	I323 S324 L349 G352 A393 S397 Y399 V401 I402 T1034 Y1036	I323-R354 HydrophobicContact CG2-CB 3.86Å; S324-R354 PolarHBondContact O-N 3.41Å; L349-R354 PolarHBondContact O-NH2 2.9Å; G352-R354 WeakPolarHBondContact O-CG 3.36Å; G352-R354 PolarHBondContact O-NE 3.11Å; R354-A393 VanDerWaalsContact CZ-O 3.28Å; R354-A393 PolarHBondContact NH1-O 3.4Å; R354-A393 PolarHBondContact NH2-O 3.14Å; R354-S397 PolarHBondContact NH1-O 2.77Å; R354-S397 VanDerWaalsContact NH1-O 3.12Å; R354-Y399 PolarHBondContact NH1-O 2.69Å; R354-V401 CarbonylContact O-C 3.5Å; R354-V401 VanDerWaalsContact O-CA 3.29Å; R354-V401 WeakPolarHBondContact O-CA 3.17Å; R354-I402 PolarHBondContact O-N 3.2Å; R354-T1034 WeakPolarHBondContact CD-O 3.43Å; R354-Y1036 HydrophobicContact CB-CE2 3.77Å; R354-Y1036 HydrophobicContact CG-CD2 3.85Å; R354-Y1036 HydrophobicContact CG-CE2 3.43Å; R354-Y1036 VanDerWaalsContact CG-CE2 3.43Å
355	C	98.6	Very high	93.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	120.1	167.2	169.7	0	0	0	0	110.1	S324 S325 S326 C353 I402 M1009	S324-C355 PolarHBondContact O-N 2.88Å; S325-C355 WeakPolarHBondContact CA-O 3.42Å; S325-C355 WeakPolarHBondContact OG-CB 3.37Å; S326-C355 PolarHBondContact N-O 2.83Å; C353-C355 PolarHBondContact SG-O 3.39Å; C355-I402 WeakPolarHBondContact CA-O 3.38Å; C355-I402 HydrophobicContact CB-CB 4.32Å; C355-M1009 HydrophobicContact CB-CE 3.62Å; C355-M1009 WeakPolarHBondContact SG-CE 3.19Å
356	I	98.6	Very high	92.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	153.4	-179.5	53.6	169.3	0	0	0	111	T329 Y345 C348 L349 I389 V401 I402 L403 S404	T329-I356 HydrophobicContact CG2-CB 4.02Å; T329-I356 HydrophobicContact CG2-CG2 3.8Å; Y345-I356 HydrophobicContact CD1-CB 4.38Å; Y345-I356 HydrophobicContact CD1-CD1 3.84Å; Y345-I356 HydrophobicContact CE1-CD1 4.34Å; C348-I356 HydrophobicContact CB-CG2 4.49Å; L349-I356 HydrophobicContact CD1-CD1 4.4Å; L349-I356 HydrophobicContact CD2-CD1 4.25Å; L349-I356 HydrophobicContact CD2-CG2 4.42Å; L349-I356 HydrophobicContact CG-CD1 4.5Å; I356-I389 HydrophobicContact CD1-CD1 3.68Å; I356-I389 HydrophobicContact CD1-CG1 3.76Å; I356-I389 HydrophobicContact CD1-CG2 4.38Å; I356-V401 HydrophobicContact CD1-CG1 4.39Å; I356-V401 HydrophobicContact CG1-CG1 4.26Å; I356-I402 PolarHBondContact N-O 3.4Å; I356-L403 HydrophobicContact CD1-CD2 3.51Å; I356-L403 HydrophobicContact CG1-CD2 3.44Å; I356-L403 VanDerWaalsContact CG1-CD2 3.44Å; I356-S404 PolarHBondContact O-N 2.77Å
357	E	98.4	Very high	92.5	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.019	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	137.3	-172.5	-174.4	153.5	-120.2	0	0	112.5	H327 N328 T329 Y345 S404 R984	H327-E357 WeakPolarHBondContact CA-OE2 3.32Å; H327-E357 IonicContact CD2-OE2 3.68Å; H327-E357 PolarHBondContact CD2-OE2 3.36Å; H327-E357 IonicContact CG-OE2 3.74Å; H327-E357 IonicContact NE2-OE2 2.86Å; N328-E357 PolarHBondContact N-OE2 3Å; T329-E357 PolarHBondContact OG1-N 2.8Å; Y345-E357 VanDerWaalsContact CE1-O 3.25Å; Y345-E357 WeakPolarHBondContact CE1-O 3.4Å; Y345-E357 PolarHBondContact OH-O 3.19Å; E357-S404 WeakPolarHBondContact CA-O 3.38Å; E357-R984 IonicContact OE1-CZ 3.09Å; E357-R984 VanDerWaalsContact OE1-CZ 3.26Å; E357-R984 IonicContact OE1-NH1 3.62Å; E357-R984 PolarHBondContact OE1-NH1 2.99Å; E357-R984 IonicContact OE1-NH2 2.67Å; E357-R984 PolarHBondContact OE1-NH2 2.73Å; E357-R984 IonicContact OE2-CZ 3.06Å; E357-R984 IonicContact OE2-NH1 3.75Å; E357-R984 IonicContact OE2-NH2 2.69Å; E357-R984 PolarHBondContact OE2-NH2 3.34Å
358	L	98	Very high	92.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	111.8	176.9	-66.4	79	0	0	0	108.2	Y345 I370 F382 V385 I389 L403 S404 I405 E406	Y345-L358 HydrophobicContact CE1-CD1 4.15Å; Y345-L358 HydrophobicContact CE1-CG 4.12Å; L358-I370 HydrophobicContact CB-CD1 4.21Å; L358-I370 HydrophobicContact CD2-CD1 4.01Å; L358-I370 HydrophobicContact CG-CD1 4.22Å; L358-F382 HydrophobicContact CD2-CE2 4.19Å; L358-V385 HydrophobicContact CD2-CG1 4Å; L358-V385 HydrophobicContact CG-CG1 4.42Å; L358-I389 HydrophobicContact CD1-CD1 4.23Å; L358-I389 HydrophobicContact CD2-CD1 4.18Å; L358-L403 HydrophobicContact CD1-CB 4.17Å; L358-L403 HydrophobicContact CD1-CD2 4.24Å; L358-S404 PolarHBondContact N-O 3.03Å; L358-I405 HydrophobicContact CB-CD1 3.91Å; L358-I405 HydrophobicContact CD1-CD1 4.02Å; L358-I405 HydrophobicContact CD2-CD1 4.15Å; L358-I405 HydrophobicContact CG-CD1 4.26Å; L358-E406 PolarHBondContact O-N 2.76Å
359	D	95.3	Very high	92.2	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.016	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	99	177.4	-163.7	24.7	0	0	0	109.2	Y330 W361 I370 Y371 E406 H408	Y330-D359 HydrophobicContact CE1-CB 3.6Å; D359-W361 PolarHBondContact OD2-NE1 2.94Å; D359-I370 VanDerWaalsContact O-CA 3.3Å; D359-I370 WeakPolarHBondContact O-CA 3.4Å; D359-Y371 PolarHBondContact O-N 3.13Å; D359-E406 HydrophobicContact CB-CB 4.47Å; D359-E406 WeakPolarHBondContact OD1-CB 3.45Å; D359-E406 VanDerWaalsContact OD1-CG 3.27Å; D359-E406 WeakPolarHBondContact OD1-CG 3.44Å; D359-H408 IonicContact OD1-CD2 2.84Å; D359-H408 PolarHBondContact OD1-CD2 2.66Å; D359-H408 VanDerWaalsContact OD1-CD2 3.26Å; D359-H408 IonicContact OD1-NE2 3.17Å; D359-H408 PolarHBondContact OD1-NE2 3.43Å; D359-H408 VanDerWaalsContact OD1-NE2 3.16Å
360	C	93.8	Very high	92	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	126.5	-164.2	-59.4	0	0	0	0	111.3	E406 H408 M417	C360-E406 PolarHBondContact N-O 2.69Å; C360-H408 WeakPolarHBondContact O-CA 3.32Å; C360-H408 WeakPolarHBondContact O-CB 3.3Å; C360-H408 PolarHBondContact O-N 2.84Å; C360-M417 HydrophobicContact CB-CE 3.72Å; C360-M417 HydrophobicContact CB-SD 4.13Å; C360-M417 VanDerWaalsContact SG-CE 3.51Å
361	W	87.8	Confident	91.8	Very high	31 Å²	31	26.4 Å²	26.4	12%	0.117	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	155.3	-177.7	-66.4	82.5	0	0	0	111	D359 G363 P368 I369 Y371 G373 W374 H408 C409	D359-W361 PolarHBondContact OD2-NE1 2.94Å; W361-G363 PolarHBondContact O-N 3.35Å; W361-P368 WeakPolarHBondContact O-CA 3.44Å; W361-I369 HydrophobicContact CB-CG1 4.19Å; W361-I369 PolarHBondContact N-O 3.03Å; W361-I369 WeakPolarHBondContact O-CG1 3.11Å; W361-I369 PolarHBondContact O-N 3.36Å; W361-Y371 HydrophobicContact CB-CD1 4.15Å; W361-Y371 HydrophobicContact CB-CE1 3.57Å; W361-Y371 AromaticContact CD1-CD1 3.77Å; W361-Y371 AromaticContact CD1-CE1 3.6Å; W361-Y371 AromaticContact CD2-CE1 3.98Å; W361-Y371 HydrophobicContact CD2-CE1 3.98Å; W361-Y371 AromaticContact CG-CD1 3.99Å; W361-Y371 HydrophobicContact CG-CD1 3.99Å; W361-Y371 AromaticContact CG-CE1 3.41Å; W361-Y371 HydrophobicContact CG-CE1 3.41Å; W361-Y371 VanDerWaalsContact CG-CE1 3.41Å; W361-Y371 PolarHBondContact NE1-O 2.84Å; W361-G373 VanDerWaalsContact CE2-CA 3.47Å; W361-W374 AromaticContact CH2-CD1 3.91Å; W361-W374 AromaticContact CH2-NE1 3.47Å; W361-W374 HydrophobicContact CZ3-CZ2 4.49Å; W361-W374 AromaticContact CZ3-NE1 3.75Å; W361-H408 HydrophobicContact CD2-CB 3.66Å; W361-H408 AromaticContact CD2-CD2 3.95Å; W361-H408 AromaticContact CD2-CG 3.98Å; W361-H408 AromaticContact CE2-CD2 3.29Å; W361-H408 AromaticContact CE2-CG 3.67Å; W361-H408 AromaticContact CE2-NE2 3.93Å; W361-H408 HydrophobicContact CE3-CB 3.55Å; W361-H408 HydrophobicContact CG-CB 4.28Å; W361-H408 HydrophobicContact CH2-CB 3.93Å; W361-H408 AromaticContact CH2-CD2 3.91Å; W361-H408 AromaticContact CH2-CG 3.62Å; W361-H408 AromaticContact CH2-ND1 3.75Å; W361-H408 HydrophobicContact CZ2-CB 4.04Å; W361-H408 AromaticContact CZ2-CD2 3.27Å; W361-H408 WeakPolarHBondContact CZ2-CD2 3.32Å; W361-H408 AromaticContact CZ2-CE1 3.82Å; W361-H408 AromaticContact CZ2-CG 3.48Å; W361-H408 VanDerWaalsContact CZ2-CG 3.48Å; W361-H408 AromaticContact CZ2-ND1 3.86Å; W361-H408 AromaticContact CZ2-NE2 3.48Å; W361-H408 WeakPolarHBondContact CZ2-NE2 3.35Å; W361-H408 HydrophobicContact CZ3-CB 3.71Å; W361-H408 AromaticContact CZ3-CG 3.95Å; W361-H408 AromaticContact NE1-CD2 3.54Å; W361-C409 PolarHBondContact O-SG 2.92Å
362	D	80.5	Confident	91.2	Very high	70 Å²	70	27.2 Å²	27.2	37%	0.374	16%	0.155	S	C	.	.			trans	-60.6	126.7	175.5	-81.9	-27.4	0	0	0	111.4	C409 S410 Q413	D362-C409 WeakPolarHBondContact OD1-CA 3.41Å; D362-S410 PolarHBondContact OD1-N 2.7Å; D362-S410 PolarHBondContact OD1-OG 2.78Å; D362-S410 VanDerWaalsContact OD2-CB 3.29Å; D362-S410 WeakPolarHBondContact OD2-CB 3.19Å; D362-S410 PolarHBondContact OD2-N 2.91Å; D362-S410 PolarHBondContact OD2-OG 2.74Å; D362-Q413 WeakPolarHBondContact OD1-CB 3.32Å; D362-Q413 WeakPolarHBondContact OD1-CG 3.09Å; D362-Q413 PolarHBondContact OD1-NE2 3.3Å; D362-Q413 PolarHBondContact OD1-OE1 3.06Å
363	G	83.5	Confident	90	Very high	7 Å²	7	27.5 Å²	27.5	7%	0.072	16%	0.158	C	C	.	.			trans	-94.7	160.5	173.5	0	0	0	0	0	113.5	W361 D365 G366 K367 Q413	W361-G363 PolarHBondContact O-N 3.35Å; G363-D365 VanDerWaalsContact C-N 3.3Å; G363-D365 PolarHBondContact O-N 3.17Å; G363-G366 PolarHBondContact O-N 2.81Å; G363-K367 WeakPolarHBondContact CA-O 3.5Å; G363-K367 PolarHBondContact N-O 2.81Å; G363-K367 VanDerWaalsContact N-O 3.11Å; G363-Q413 PolarHBondContact O-NE2 2.8Å; G363-Q413 VanDerWaalsContact O-NE2 3.12Å
364	P	79.2	Confident	88.6	Confident	133 Å²	133	36 Å²	36	86%	0.864	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-19	-172.3	30.1	-36.3	0	0	0	114.1	G366	P364-G366 VanDerWaalsContact C-N 3.34Å
365	D	82.5	Confident	87.1	Confident	98 Å²	98	36.6 Å²	36.6	52%	0.524	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	13.4	178.9	64	-22.4	0	0	0	112.8	G363 K367	G363-D365 VanDerWaalsContact C-N 3.3Å; G363-D365 PolarHBondContact O-N 3.17Å; D365-K367 PolarHBondContact O-N 2.85Å; D365-K367 PolarHBondContact OD1-N 2.85Å
366	G	81.1	Confident	85.7	Confident	44 Å²	44	43 Å²	43	45%	0.454	22%	0.218	S	C	.	.	S	Bend	trans	75.3	11	-175.3	0	0	0	0	0	113.5	G363 P364 Q413	G363-G366 PolarHBondContact O-N 2.81Å; P364-G366 VanDerWaalsContact C-N 3.34Å; G366-Q413 WeakPolarHBondContact O-CG 3.46Å
367	K	89.8	Confident	84.8	Confident	80 Å²	80	43 Å²	43	35%	0.348	22%	0.219	S	C	.	.	S	Bend	trans	-115.8	144.5	174.7	-64.4	-176.7	168.4	-156.8	0	111.1	G363 D365 D383 Q413	G363-K367 WeakPolarHBondContact CA-O 3.5Å; G363-K367 PolarHBondContact N-O 2.81Å; G363-K367 VanDerWaalsContact N-O 3.11Å; D365-K367 PolarHBondContact O-N 2.85Å; D365-K367 PolarHBondContact OD1-N 2.85Å; K367-D383 IonicContact NZ-OD2 2.96Å; K367-D383 PolarHBondContact NZ-OD2 2.84Å; K367-Q413 PolarHBondContact O-OE1 2.88Å; K367-Q413 VanDerWaalsContact O-OE1 3.11Å
368	P	92.9	Very high	84.3	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.006	24%	0.236	C	C	.	.			trans	-62.9	146.9	179.4	-12.5	20	0	0	0	113.1	W361 F382 Q413 H416 M417	W361-P368 WeakPolarHBondContact O-CA 3.44Å; P368-F382 HydrophobicContact CB-CB 3.78Å; P368-F382 HydrophobicContact CB-CG 4.13Å; P368-F382 HydrophobicContact CG-CB 4.36Å; P368-F382 HydrophobicContact CG-CD1 4.42Å; P368-F382 HydrophobicContact CG-CG 4.38Å; P368-F382 WeakPolarHBondContact O-CB 3.45Å; P368-F382 PolarHBondContact O-N 3.5Å; P368-F382 VanDerWaalsContact O-N 3.1Å; P368-Q413 VanDerWaalsContact CA-OE1 3.3Å; P368-Q413 HydrophobicContact CG-CB 4.11Å; P368-H416 VanDerWaalsContact CD-CD2 3.44Å; P368-H416 WeakPolarHBondContact CD-CD2 3.21Å; P368-M417 HydrophobicContact CB-CG 4.12Å; P368-M417 HydrophobicContact CB-SD 4.43Å; P368-M417 HydrophobicContact CG-CG 3.41Å; P368-M417 VanDerWaalsContact CG-CG 3.41Å; P368-M417 HydrophobicContact CG-SD 4.18Å
369	I	93.9	Very high	84	Confident	19 Å²	19	51.2 Å²	51.2	10%	0.097	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	158.6	172	54.5	167.8	0	0	0	110.2	W361 Y371 K379 I380	W361-I369 HydrophobicContact CB-CG1 4.19Å; W361-I369 PolarHBondContact N-O 3.03Å; W361-I369 WeakPolarHBondContact O-CG1 3.11Å; W361-I369 PolarHBondContact O-N 3.36Å; I369-Y371 HydrophobicContact CD1-CD1 4.1Å; I369-Y371 HydrophobicContact CD1-CE1 4.08Å; I369-Y371 HydrophobicContact CG1-CD1 4.44Å; I369-K379 HydrophobicContact CD1-CB 4.31Å; I369-K379 HydrophobicContact CD1-CD 3.66Å; I369-K379 HydrophobicContact CD1-CG 3.98Å; I369-I380 CarbonylContact C-O 3.6Å; I369-I380 WeakPolarHBondContact CA-O 3.37Å
370	I	95.6	Very high	84	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	127.2	175.9	-65	164.1	0	0	0	109.1	Y330 L358 D359 I380 F382 V385	Y330-I370 HydrophobicContact CD1-CG2 3.68Å; Y330-I370 HydrophobicContact CD2-CG2 4.25Å; Y330-I370 HydrophobicContact CE1-CG2 4.28Å; Y330-I370 HydrophobicContact CG-CG2 3.67Å; L358-I370 HydrophobicContact CB-CD1 4.21Å; L358-I370 HydrophobicContact CD2-CD1 4.01Å; L358-I370 HydrophobicContact CG-CD1 4.22Å; D359-I370 VanDerWaalsContact O-CA 3.3Å; D359-I370 WeakPolarHBondContact O-CA 3.4Å; I370-I380 HydrophobicContact CB-CD1 4.49Å; I370-I380 HydrophobicContact CB-CG1 3.92Å; I370-I380 HydrophobicContact CG2-CD1 4.46Å; I370-I380 HydrophobicContact CG2-CG1 4.32Å; I370-I380 PolarHBondContact N-O 3.11Å; I370-I380 PolarHBondContact O-N 2.78Å; I370-F382 HydrophobicContact CD1-CD2 4.11Å; I370-V385 HydrophobicContact CD1-CB 3.84Å; I370-V385 HydrophobicContact CD1-CG1 3.82Å; I370-V385 HydrophobicContact CD1-CG2 3.83Å
371	Y	90.1	Very high	84.1	Confident	26 Å²	26	57.6 Å²	57.6	10%	0.102	29%	0.288	C	S	.	.	S	Bend	trans	-169.8	169.6	172.2	77.5	-64.7	0	0	0	108.8	D359 W361 I369 G373 T378 K379	D359-Y371 PolarHBondContact O-N 3.13Å; W361-Y371 HydrophobicContact CB-CD1 4.15Å; W361-Y371 HydrophobicContact CB-CE1 3.57Å; W361-Y371 AromaticContact CD1-CD1 3.77Å; W361-Y371 AromaticContact CD1-CE1 3.6Å; W361-Y371 AromaticContact CD2-CE1 3.98Å; W361-Y371 HydrophobicContact CD2-CE1 3.98Å; W361-Y371 AromaticContact CG-CD1 3.99Å; W361-Y371 HydrophobicContact CG-CD1 3.99Å; W361-Y371 AromaticContact CG-CE1 3.41Å; W361-Y371 HydrophobicContact CG-CE1 3.41Å; W361-Y371 VanDerWaalsContact CG-CE1 3.41Å; W361-Y371 PolarHBondContact NE1-O 2.84Å; I369-Y371 HydrophobicContact CD1-CD1 4.1Å; I369-Y371 HydrophobicContact CD1-CE1 4.08Å; I369-Y371 HydrophobicContact CG1-CD1 4.44Å; Y371-G373 PolarHBondContact O-N 3.02Å; Y371-T378 WeakPolarHBondContact CB-O 3.44Å; Y371-K379 HydrophobicContact CD1-CG 3.96Å; Y371-K379 HydrophobicContact CD2-CG 4.18Å; Y371-K379 HydrophobicContact CG-CG 3.72Å
372	H	82.8	Confident	84.5	Confident	54 Å²	54	56.1 Å²	56.1	25%	0.25	28%	0.282	C	S	.	.			trans	-80.2	114.5	174.6	-174.1	-154.3	0	0	0	109.4	Y330 Q335 T375 T377	Y330-H372 HydrophobicContact CE2-CB 4.01Å; Y330-H372 VanDerWaalsContact OH-CA 3.32Å; Y330-H372 WeakPolarHBondContact OH-CA 3.36Å; Y330-H372 WeakPolarHBondContact OH-CB 3.4Å; Q335-H372 PolarHBondContact O-ND1 2.91Å; H372-T375 HydrophobicContact CB-CG2 4.29Å; H372-T375 WeakPolarHBondContact ND1-CG2 3.22Å; H372-T375 WeakPolarHBondContact O-CB 3.46Å; H372-T375 PolarHBondContact O-N 3.34Å; H372-T375 PolarHBondContact O-OG1 3.35Å; H372-T377 HydrophobicContact CB-CG2 4.2Å; H372-T377 PolarHBondContact N-OG1 2.88Å; H372-T377 VanDerWaalsContact N-OG1 3.1Å
373	G	71.3	Confident	85.3	Confident	8 Å²	8	54.4 Å²	54.4	8%	0.082	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46	136.8	-172.8	0	0	0	0	0	114.6	W361 Y371 T375	W361-G373 VanDerWaalsContact CE2-CA 3.47Å; Y371-G373 PolarHBondContact O-N 3.02Å; G373-T375 WeakPolarHBondContact O-CG2 3.39Å; G373-T375 PolarHBondContact O-N 3.45Å
374	W	67.9	Low	85.8	Confident	177 Å²	177	58 Å²	58	67%	0.67	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	11.1	175.8	-49.2	99	0	0	0	115.8	W361 Q478	W361-W374 AromaticContact CH2-CD1 3.91Å; W361-W374 AromaticContact CH2-NE1 3.47Å; W361-W374 HydrophobicContact CZ3-CZ2 4.49Å; W361-W374 AromaticContact CZ3-NE1 3.75Å; W374-Q478 VanDerWaalsContact C-NE2 3.3Å; W374-Q478 WeakPolarHBondContact O-CG 3.2Å; W374-Q478 PolarHBondContact O-NE2 2.86Å
375	T	67.8	Low	86.7	Confident	14 Å²	14	51.7 Å²	51.7	9%	0.086	25%	0.25	C	C	.	.	S	Bend	trans	-104.8	-179.9	177	72.9	0	0	0	0	112.5	L336 H372 G373 T377	L336-T375 HydrophobicContact CD2-CG2 4.13Å; H372-T375 HydrophobicContact CB-CG2 4.29Å; H372-T375 WeakPolarHBondContact ND1-CG2 3.22Å; H372-T375 WeakPolarHBondContact O-CB 3.46Å; H372-T375 PolarHBondContact O-N 3.34Å; H372-T375 PolarHBondContact O-OG1 3.35Å; G373-T375 WeakPolarHBondContact O-CG2 3.39Å; G373-T375 PolarHBondContact O-N 3.45Å; T375-T377 VanDerWaalsContact C-N 3.33Å; T375-T377 WeakPolarHBondContact OG1-CG2 2.79Å; T375-T377 PolarHBondContact OG1-N 2.95Å; T375-T377 PolarHBondContact OG1-OG1 3.34Å
376	R	69.9	Low	87.4	Confident	133 Å²	133	47 Å²	47	50%	0.502	23%	0.225	S	C	.	.	S	Bend	trans	-90.6	5.8	174.1	-58.2	-165.1	93.5	-158.7	15.9	113.5	L336 T378 E480 Y495	L336-R376 CarbonylContact O-C 3.56Å; L336-R376 WeakPolarHBondContact O-CA 3.47Å; L336-R376 PolarHBondContact O-N 3.26Å; R376-T378 PolarHBondContact O-N 2.97Å; R376-E480 WeakPolarHBondContact CD-OE1 3.48Å; R376-E480 IonicContact CZ-OE1 2.71Å; R376-E480 VanDerWaalsContact CZ-OE1 3.3Å; R376-E480 IonicContact CZ-OE2 3.11Å; R376-E480 IonicContact NE-OE1 2.86Å; R376-E480 IonicContact NE-OE2 3.34Å; R376-E480 IonicContact NH1-OE1 2.72Å; R376-E480 PolarHBondContact NH1-OE1 3.22Å; R376-E480 IonicContact NH1-OE2 3.15Å; R376-E480 PolarHBondContact NH1-OE2 2.89Å; R376-E480 IonicContact NH2-OE2 3.97Å; R376-E480 PolarHBondContact NH2-OE2 2.95Å; R376-Y495 HydrophobicContact CG-CE2 4.35Å
377	T	78.5	Confident	88.1	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.012	22%	0.219	C	C	.	.			trans	-55.4	139.9	174.2	57.3	0	0	0	0	109.8	L331 L336 S338 H372 T375	L331-T377 HydrophobicContact CD2-CG2 3.57Å; L336-T377 PolarHBondContact O-N 3.4Å; S338-T377 VanDerWaalsContact O-CA 3.31Å; S338-T377 WeakPolarHBondContact O-CA 3.38Å; H372-T377 HydrophobicContact CB-CG2 4.2Å; H372-T377 PolarHBondContact N-OG1 2.88Å; H372-T377 VanDerWaalsContact N-OG1 3.1Å; T375-T377 VanDerWaalsContact C-N 3.33Å; T375-T377 WeakPolarHBondContact OG1-CG2 2.79Å; T375-T377 PolarHBondContact OG1-N 2.95Å; T375-T377 PolarHBondContact OG1-OG1 3.34Å
378	T	88.3	Confident	88.4	Confident	63 Å²	63	45 Å²	45	39%	0.387	21%	0.207	S	C	.	.			trans	-65.3	159.3	-179.1	63.2	0	0	0	0	109.9	E339 S340 Y371 R376	E339-T378 WeakPolarHBondContact CA-OG1 3.31Å; E339-T378 HydrophobicContact CG-CG2 4.44Å; E339-T378 WeakPolarHBondContact CG-OG1 2.98Å; S340-T378 WeakPolarHBondContact CB-O 3.43Å; S340-T378 PolarHBondContact N-OG1 3.34Å; S340-T378 PolarHBondContact O-OG1 3.32Å; S340-T378 PolarHBondContact OG-O 3.44Å; Y371-T378 WeakPolarHBondContact CB-O 3.44Å; R376-T378 PolarHBondContact O-N 2.97Å
379	K	91.8	Very high	88.7	Confident	113 Å²	113	45 Å²	45	49%	0.491	21%	0.206	S	C	.	.			trans	-106.6	132.8	-176.5	-67.4	162	172.8	65.2	0	109.4	I369 Y371	I369-K379 HydrophobicContact CD1-CB 4.31Å; I369-K379 HydrophobicContact CD1-CD 3.66Å; I369-K379 HydrophobicContact CD1-CG 3.98Å; Y371-K379 HydrophobicContact CD1-CG 3.96Å; Y371-K379 HydrophobicContact CD2-CG 4.18Å; Y371-K379 HydrophobicContact CG-CG 3.72Å
380	I	95.3	Very high	88.8	Confident	20 Å²	20	47.7 Å²	47.7	10%	0.103	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	153.9	173.3	60.2	-177.2	0	0	0	110	S340 Y345 I369 I370 V385	S340-I380 WeakPolarHBondContact O-CG2 3.24Å; Y345-I380 HydrophobicContact CE2-CD1 4.1Å; I369-I380 CarbonylContact C-O 3.6Å; I369-I380 WeakPolarHBondContact CA-O 3.37Å; I370-I380 HydrophobicContact CB-CD1 4.49Å; I370-I380 HydrophobicContact CB-CG1 3.92Å; I370-I380 HydrophobicContact CG2-CD1 4.46Å; I370-I380 HydrophobicContact CG2-CG1 4.32Å; I370-I380 PolarHBondContact N-O 3.11Å; I370-I380 PolarHBondContact O-N 2.78Å; I380-V385 HydrophobicContact CD1-CG2 3.44Å; I380-V385 VanDerWaalsContact CD1-CG2 3.44Å; I380-V385 HydrophobicContact CG1-CG2 3.88Å
381	K	95.6	Very high	88.7	Confident	116 Å²	116	51.9 Å²	51.9	50%	0.504	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	138.5	-178.3	-59.9	-178.9	-172.3	164.4	0	110.3	D383 D384 V385	K381-D383 VanDerWaalsContact C-N 3.34Å; K381-D383 PolarHBondContact O-N 2.79Å; K381-D384 HydrophobicContact CB-CB 4.3Å; K381-D384 WeakPolarHBondContact CD-OD2 3.3Å; K381-D384 PolarHBondContact O-N 3.25Å; K381-V385 PolarHBondContact O-N 3.41Å
382	F	97	Very high	89	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-58.5	-45.8	174.2	173.5	-93.7	0	0	0	112	L358 P368 I370 D384 V385 V386 M417 V420 F421	L358-F382 HydrophobicContact CD2-CE2 4.19Å; P368-F382 HydrophobicContact CB-CB 3.78Å; P368-F382 HydrophobicContact CB-CG 4.13Å; P368-F382 HydrophobicContact CG-CB 4.36Å; P368-F382 HydrophobicContact CG-CD1 4.42Å; P368-F382 HydrophobicContact CG-CG 4.38Å; P368-F382 WeakPolarHBondContact O-CB 3.45Å; P368-F382 PolarHBondContact O-N 3.5Å; P368-F382 VanDerWaalsContact O-N 3.1Å; I370-F382 HydrophobicContact CD1-CD2 4.11Å; F382-D384 VanDerWaalsContact C-N 3.28Å; F382-D384 PolarHBondContact O-N 3.23Å; F382-V385 PolarHBondContact O-N 3.44Å; F382-V385 VanDerWaalsContact O-N 3.12Å; F382-V386 HydrophobicContact CD1-CG2 4.02Å; F382-V386 HydrophobicContact CD2-CG2 4.22Å; F382-V386 HydrophobicContact CE1-CG2 3.56Å; F382-V386 HydrophobicContact CE2-CG2 3.78Å; F382-V386 HydrophobicContact CG-CG2 4.33Å; F382-V386 HydrophobicContact CZ-CG2 3.44Å; F382-V386 VanDerWaalsContact CZ-CG2 3.44Å; F382-V386 WeakPolarHBondContact O-CG2 3.48Å; F382-V386 PolarHBondContact O-N 3.36Å; F382-M417 HydrophobicContact CD1-CG 4.34Å; F382-M417 HydrophobicContact CD2-CE 4.39Å; F382-M417 HydrophobicContact CD2-CG 4.44Å; F382-M417 HydrophobicContact CE1-CB 4Å; F382-M417 HydrophobicContact CE1-CG 4Å; F382-M417 HydrophobicContact CE2-CB 4.44Å; F382-M417 HydrophobicContact CE2-CE 3.81Å; F382-M417 HydrophobicContact CE2-CG 4.12Å; F382-M417 HydrophobicContact CZ-CB 3.8Å; F382-M417 HydrophobicContact CZ-CE 4.25Å; F382-M417 HydrophobicContact CZ-CG 3.87Å; F382-V420 HydrophobicContact CD1-CG1 4.29Å; F382-V420 HydrophobicContact CE1-CB 3.94Å; F382-V420 HydrophobicContact CE1-CG1 3.79Å; F382-F421 HydrophobicContact CE2-CE1 4.12Å; F382-F421 HydrophobicContact CE2-CE2 4.25Å; F382-F421 AromaticContact CE2-CZ 3.69Å; F382-F421 HydrophobicContact CE2-CZ 3.69Å; F382-F421 HydrophobicContact CZ-CD1 4.17Å; F382-F421 HydrophobicContact CZ-CD2 4.26Å; F382-F421 AromaticContact CZ-CE1 3.67Å; F382-F421 HydrophobicContact CZ-CE1 3.67Å; F382-F421 AromaticContact CZ-CE2 3.75Å; F382-F421 HydrophobicContact CZ-CE2 3.75Å; F382-F421 HydrophobicContact CZ-CG 4.46Å; F382-F421 AromaticContact CZ-CZ 3.44Å; F382-F421 HydrophobicContact CZ-CZ 3.44Å; F382-F421 VanDerWaalsContact CZ-CZ 3.44Å
383	D	96.2	Very high	89.7	Confident	34 Å²	34	48.9 Å²	48.9	18%	0.182	23%	0.227	C	C	.	.	H	α-helix	trans	-54.3	-43.8	179.7	-63.9	8	0	0	0	111.8	K367 K381 V386 Q387 H416	K367-D383 IonicContact NZ-OD2 2.96Å; K367-D383 PolarHBondContact NZ-OD2 2.84Å; K381-D383 VanDerWaalsContact C-N 3.34Å; K381-D383 PolarHBondContact O-N 2.79Å; D383-V386 PolarHBondContact O-N 3.44Å; D383-Q387 WeakPolarHBondContact O-CB 3.45Å; D383-Q387 PolarHBondContact O-N 2.98Å; D383-Q387 VanDerWaalsContact O-N 3.08Å; D383-H416 IonicContact OD1-CD2 3.57Å; D383-H416 IonicContact OD1-CE1 2.72Å; D383-H416 IonicContact OD1-NE2 3.87Å; D383-H416 PolarHBondContact OD1-NE2 3.21Å; D383-H416 IonicContact OD2-NE2 3.43Å
384	D	95	Very high	90.9	Very high	83 Å²	83	50.1 Å²	50.1	44%	0.444	23%	0.23	S	C	.	.	H	α-helix	trans	-69.5	-37.7	-179.2	-60.6	-18.9	0	0	0	111.5	T342 K381 F382 Q387 A388	T342-D384 HydrophobicContact CG2-CB 4.16Å; K381-D384 HydrophobicContact CB-CB 4.3Å; K381-D384 WeakPolarHBondContact CD-OD2 3.3Å; K381-D384 PolarHBondContact O-N 3.25Å; F382-D384 VanDerWaalsContact C-N 3.28Å; F382-D384 PolarHBondContact O-N 3.23Å; D384-Q387 PolarHBondContact O-N 3.16Å; D384-A388 WeakPolarHBondContact O-CB 3.44Å; D384-A388 PolarHBondContact O-N 2.94Å
385	V	97.4	Very high	92.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65.9	-45.7	175.8	169.9	0	0	0	0	111.2	T342 Y345 L358 I370 I380 K381 F382 Q387 A388 I389	T342-V385 HydrophobicContact CG2-CG2 3.84Å; Y345-V385 HydrophobicContact CD1-CG1 4.39Å; Y345-V385 HydrophobicContact CD2-CG1 3.79Å; Y345-V385 HydrophobicContact CD2-CG2 4.16Å; Y345-V385 HydrophobicContact CE1-CG1 4.16Å; Y345-V385 HydrophobicContact CE2-CB 4.34Å; Y345-V385 HydrophobicContact CE2-CG1 3.5Å; Y345-V385 VanDerWaalsContact CE2-CG1 3.5Å; Y345-V385 HydrophobicContact CE2-CG2 3.81Å; Y345-V385 HydrophobicContact CG-CG1 4.21Å; L358-V385 HydrophobicContact CD2-CG1 4Å; L358-V385 HydrophobicContact CG-CG1 4.42Å; I370-V385 HydrophobicContact CD1-CB 3.84Å; I370-V385 HydrophobicContact CD1-CG1 3.82Å; I370-V385 HydrophobicContact CD1-CG2 3.83Å; I380-V385 HydrophobicContact CD1-CG2 3.44Å; I380-V385 VanDerWaalsContact CD1-CG2 3.44Å; I380-V385 HydrophobicContact CG1-CG2 3.88Å; K381-V385 PolarHBondContact O-N 3.41Å; F382-V385 PolarHBondContact O-N 3.44Å; F382-V385 VanDerWaalsContact O-N 3.12Å; V385-Q387 VanDerWaalsContact C-N 3.29Å; V385-Q387 PolarHBondContact O-N 3.47Å; V385-A388 PolarHBondContact O-N 2.71Å; V385-I389 HydrophobicContact CG1-CD1 3.82Å; V385-I389 HydrophobicContact CG1-CG1 4.43Å; V385-I389 VanDerWaalsContact O-CG1 3.31Å; V385-I389 WeakPolarHBondContact O-CG1 3.44Å; V385-I389 PolarHBondContact O-N 2.99Å
386	V	97.8	Very high	93.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.8	-39.3	178.3	179.5	0	0	0	0	110.8	F382 D383 I389 K390 V420 F421 V424 F425	F382-V386 HydrophobicContact CD1-CG2 4.02Å; F382-V386 HydrophobicContact CD2-CG2 4.22Å; F382-V386 HydrophobicContact CE1-CG2 3.56Å; F382-V386 HydrophobicContact CE2-CG2 3.78Å; F382-V386 HydrophobicContact CG-CG2 4.33Å; F382-V386 HydrophobicContact CZ-CG2 3.44Å; F382-V386 VanDerWaalsContact CZ-CG2 3.44Å; F382-V386 WeakPolarHBondContact O-CG2 3.48Å; F382-V386 PolarHBondContact O-N 3.36Å; D383-V386 PolarHBondContact O-N 3.44Å; V386-I389 PolarHBondContact O-N 2.96Å; V386-K390 PolarHBondContact O-N 3.46Å; V386-V420 HydrophobicContact CB-CG1 4.14Å; V386-V420 HydrophobicContact CG1-CG1 4.07Å; V386-V420 HydrophobicContact CG2-CG1 4.28Å; V386-F421 HydrophobicContact CG1-CD1 4.04Å; V386-F421 HydrophobicContact CG1-CE1 4.38Å; V386-F421 HydrophobicContact CG2-CD1 4.1Å; V386-F421 HydrophobicContact CG2-CE1 3.75Å; V386-V424 HydrophobicContact CG1-CB 3.89Å; V386-V424 HydrophobicContact CG1-CG1 3.79Å; V386-V424 HydrophobicContact CG1-CG2 4.38Å; V386-F425 HydrophobicContact CB-CZ 4.47Å; V386-F425 HydrophobicContact CG1-CD1 4.29Å; V386-F425 HydrophobicContact CG1-CD2 4.48Å; V386-F425 HydrophobicContact CG1-CE1 3.69Å; V386-F425 HydrophobicContact CG1-CE2 3.94Å; V386-F425 HydrophobicContact CG1-CZ 3.5Å; V386-F425 WeakPolarHBondContact O-CE1 3.42Å
387	Q	96.2	Very high	94.6	Very high	71 Å²	71	40.9 Å²	40.9	33%	0.332	21%	0.213	S	C	.	.	H	α-helix	trans	-64.8	-43.7	174.9	-173.8	55.3	53	0	0	111.8	D383 D384 V385 I389 K390 D391	D383-Q387 WeakPolarHBondContact O-CB 3.45Å; D383-Q387 PolarHBondContact O-N 2.98Å; D383-Q387 VanDerWaalsContact O-N 3.08Å; D384-Q387 PolarHBondContact O-N 3.16Å; V385-Q387 VanDerWaalsContact C-N 3.29Å; V385-Q387 PolarHBondContact O-N 3.47Å; Q387-I389 VanDerWaalsContact C-N 3.34Å; Q387-I389 PolarHBondContact O-N 3.48Å; Q387-K390 WeakPolarHBondContact O-CB 3.25Å; Q387-K390 PolarHBondContact O-N 3.17Å; Q387-D391 PolarHBondContact NE2-OD1 3.5Å; Q387-D391 PolarHBondContact NE2-OD2 3.35Å; Q387-D391 PolarHBondContact O-N 2.83Å; Q387-D391 VanDerWaalsContact O-N 3.1Å
388	A	95.5	Very high	95.4	Very high	11 Å²	11	45.6 Å²	45.6	9%	0.091	24%	0.235	C	C	.	.	H	α-helix	trans	-60.8	-41.7	174.4	0	0	0	0	0	112.2	I346 D384 V385 K390 D391 H392	I346-A388 HydrophobicContact CD1-CB 4.09Å; I346-A388 HydrophobicContact CG1-CB 4.09Å; D384-A388 WeakPolarHBondContact O-CB 3.44Å; D384-A388 PolarHBondContact O-N 2.94Å; V385-A388 PolarHBondContact O-N 2.71Å; A388-K390 PolarHBondContact O-N 3.42Å; A388-D391 PolarHBondContact O-N 3.33Å; A388-H392 WeakPolarHBondContact O-CB 3.18Å; A388-H392 PolarHBondContact O-CD2 3.02Å; A388-H392 PolarHBondContact O-N 3.25Å; A388-H392 VanDerWaalsContact O-N 3.13Å
389	I	98	Very high	95.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.9	-45.1	175.9	-68	165.3	0	0	0	110.3	Y345 L349 I356 L358 V385 V386 Q387 D391 H392 A393 L403 F425 I451	Y345-I389 HydrophobicContact CD1-CD1 4.36Å; Y345-I389 HydrophobicContact CD1-CG1 4.47Å; L349-I389 HydrophobicContact CD1-CG1 4.48Å; I356-I389 HydrophobicContact CD1-CD1 3.68Å; I356-I389 HydrophobicContact CD1-CG1 3.76Å; I356-I389 HydrophobicContact CD1-CG2 4.38Å; L358-I389 HydrophobicContact CD1-CD1 4.23Å; L358-I389 HydrophobicContact CD2-CD1 4.18Å; V385-I389 HydrophobicContact CG1-CD1 3.82Å; V385-I389 HydrophobicContact CG1-CG1 4.43Å; V385-I389 VanDerWaalsContact O-CG1 3.31Å; V385-I389 WeakPolarHBondContact O-CG1 3.44Å; V385-I389 PolarHBondContact O-N 2.99Å; V386-I389 PolarHBondContact O-N 2.96Å; Q387-I389 VanDerWaalsContact C-N 3.34Å; Q387-I389 PolarHBondContact O-N 3.48Å; I389-D391 VanDerWaalsContact C-N 3.29Å; I389-D391 PolarHBondContact O-N 3.07Å; I389-H392 PolarHBondContact O-N 2.88Å; I389-A393 HydrophobicContact CG2-CB 4.32Å; I389-A393 WeakPolarHBondContact O-CA 3.21Å; I389-A393 WeakPolarHBondContact O-CB 3.31Å; I389-A393 PolarHBondContact O-N 3.15Å; I389-L403 HydrophobicContact CD1-CD1 4.45Å; I389-L403 HydrophobicContact CD1-CD2 4.15Å; I389-L403 HydrophobicContact CG2-CD2 4.27Å; I389-F425 HydrophobicContact CB-CE1 4.17Å; I389-F425 HydrophobicContact CB-CZ 4.13Å; I389-F425 HydrophobicContact CG2-CE1 3.9Å; I389-F425 HydrophobicContact CG2-CZ 3.76Å; I389-I451 HydrophobicContact CG2-CD1 4.36Å
390	K	96.4	Very high	96.2	Very high	76 Å²	76	37.5 Å²	37.5	33%	0.33	19%	0.194	S	C	.	.	H	α-helix	trans	-56.1	-45.3	178	173.7	-176.5	-179.4	163.7	0	112.1	V386 Q387 A388 H392 V424 F425	V386-K390 PolarHBondContact O-N 3.46Å; Q387-K390 WeakPolarHBondContact O-CB 3.25Å; Q387-K390 PolarHBondContact O-N 3.17Å; A388-K390 PolarHBondContact O-N 3.42Å; K390-H392 VanDerWaalsContact C-N 3.32Å; K390-H392 PolarHBondContact O-N 2.89Å; K390-V424 HydrophobicContact CB-CG1 4.01Å; K390-V424 HydrophobicContact CD-CG1 3.56Å; K390-V424 VanDerWaalsContact CD-O 3.24Å; K390-V424 WeakPolarHBondContact CD-O 3.35Å; K390-V424 WeakPolarHBondContact CE-O 3.26Å; K390-V424 HydrophobicContact CG-CG1 4.4Å; K390-V424 PolarHBondContact NZ-O 3.24Å; K390-F425 HydrophobicContact CB-CD1 3.96Å; K390-F425 HydrophobicContact CB-CE1 3.97Å
391	D	94.5	Very high	96.3	Very high	88 Å²	88	36.5 Å²	36.5	47%	0.471	19%	0.189	S	C	.	.	H	α-helix	trans	-75.8	-23.4	-173.3	-63.8	-24.9	0	0	0	112.4	Q387 A388 I389	Q387-D391 PolarHBondContact NE2-OD1 3.5Å; Q387-D391 PolarHBondContact NE2-OD2 3.35Å; Q387-D391 PolarHBondContact O-N 2.83Å; Q387-D391 VanDerWaalsContact O-N 3.1Å; A388-D391 PolarHBondContact O-N 3.33Å; I389-D391 VanDerWaalsContact C-N 3.29Å; I389-D391 PolarHBondContact O-N 3.07Å
392	H	96.1	Very high	96.5	Very high	17 Å²	17	31 Å²	31	8%	0.079	17%	0.165	C	C	.	.	H	α-helix	trans	-120.5	-12.7	-170.9	-64.7	-78.5	0	0	0	115.8	E73 I346 L349 R350 A388 I389 K390 F394 V395	E73-H392 IonicContact OE1-CE1 3.26Å; E73-H392 PolarHBondContact OE1-CE1 3.03Å; E73-H392 VanDerWaalsContact OE1-CE1 3.26Å; I346-H392 HydrophobicContact CG1-CB 4.32Å; I346-H392 VanDerWaalsContact CG1-CD2 3.48Å; I346-H392 WeakPolarHBondContact CG1-CD2 3.36Å; I346-H392 HydrophobicContact CG2-CB 4.26Å; L349-H392 HydrophobicContact CD1-CB 4.28Å; R350-H392 PolarHBondContact NH2-ND1 2.81Å; A388-H392 WeakPolarHBondContact O-CB 3.18Å; A388-H392 PolarHBondContact O-CD2 3.02Å; A388-H392 PolarHBondContact O-N 3.25Å; A388-H392 VanDerWaalsContact O-N 3.13Å; I389-H392 PolarHBondContact O-N 2.88Å; K390-H392 VanDerWaalsContact C-N 3.32Å; K390-H392 PolarHBondContact O-N 2.89Å; H392-F394 PolarHBondContact O-N 3.11Å; H392-F394 VanDerWaalsContact O-N 3.13Å; H392-V395 PolarHBondContact O-N 2.95Å
393	A	96.4	Very high	96.5	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-42.9	-175.1	0	0	0	0	0	112.5	R354 I389 V401	R354-A393 VanDerWaalsContact CZ-O 3.28Å; R354-A393 PolarHBondContact NH1-O 3.4Å; R354-A393 PolarHBondContact NH2-O 3.14Å; I389-A393 HydrophobicContact CG2-CB 4.32Å; I389-A393 WeakPolarHBondContact O-CA 3.21Å; I389-A393 WeakPolarHBondContact O-CB 3.31Å; I389-A393 PolarHBondContact O-N 3.15Å; A393-V401 HydrophobicContact CB-CG2 4.06Å
394	F	97.4	Very high	96.6	Very high	34 Å²	34	29.4 Å²	29.4	15%	0.149	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	14.4	-170.7	-51.6	-66.5	0	0	0	114.7	H392 S397 V401 Q428 E449 I451	H392-F394 PolarHBondContact O-N 3.11Å; H392-F394 VanDerWaalsContact O-N 3.13Å; F394-S397 VanDerWaalsContact CA-O 3.23Å; F394-S397 WeakPolarHBondContact CA-O 2.9Å; F394-V401 HydrophobicContact CE1-CG2 4.07Å; F394-Q428 HydrophobicContact CE2-CB 4.45Å; F394-Q428 HydrophobicContact CE2-CG 4.3Å; F394-E449 HydrophobicContact CE2-CB 4.46Å; F394-I451 HydrophobicContact CE2-CD1 4.39Å; F394-I451 HydrophobicContact CE2-CG1 4.16Å; F394-I451 HydrophobicContact CZ-CD1 4.49Å; F394-I451 HydrophobicContact CZ-CG1 3.8Å
395	V	94.2	Very high	96.5	Very high	79 Å²	79	25.9 Å²	25.9	48%	0.479	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-42.9	-178.5	174.4	0	0	0	0	112.2	H392	H392-V395 PolarHBondContact O-N 2.95Å
396	A	93.1	Very high	96.1	Very high	44 Å²	44	29.8 Å²	29.8	36%	0.364	16%	0.156	S	C	.	.	S	Bend	trans	-90.4	-21.5	179.5	0	0	0	0	0	113.4
397	S	95.6	Very high	95.6	Very high	8 Å²	8	30.7 Å²	30.7	6%	0.056	16%	0.16	C	C	.	.			trans	-159.1	131.9	-174.2	174.2	0	0	0	0	110.5	R354 F394 Y399 T1034	R354-S397 PolarHBondContact NH1-O 2.77Å; R354-S397 VanDerWaalsContact NH1-O 3.12Å; F394-S397 VanDerWaalsContact CA-O 3.23Å; F394-S397 WeakPolarHBondContact CA-O 2.9Å; S397-Y399 PolarHBondContact O-N 3.03Å; S397-Y399 WeakPolarHBondContact OG-CD2 3.39Å; S397-Y399 PolarHBondContact OG-N 2.77Å; S397-T1034 WeakPolarHBondContact CB-O 3.34Å; S397-T1034 PolarHBondContact OG-O 3.13Å
398	E	96	Very high	95	Very high	101 Å²	101	29.8 Å²	29.8	47%	0.472	16%	0.156	S	C	.	.	S	Bend	trans	-75.3	-10.6	177.1	-59.1	179.9	159.5	0	0	113.2	K448 E449	E398-K448 CarbonylContact O-C 3.48Å; E398-K448 WeakPolarHBondContact O-CA 3.42Å; E398-K448 IonicContact OE2-NZ 2.96Å; E398-K448 PolarHBondContact OE2-NZ 2.99Å; E398-E449 PolarHBondContact O-N 2.69Å
399	Y	97.7	Very high	94.3	Very high	5 Å²	5	29.8 Å²	29.8	2%	0.02	16%	0.155	C	C	.	.	S	Bend	trans	-76.8	157.7	-174.4	-67.9	-69.3	0	0	0	112.1	I309 M314 R354 S397 P444 K448 T1034 Y1036	I309-Y399 HydrophobicContact CD1-CE2 4.46Å; I309-Y399 HydrophobicContact CG2-CE2 4.36Å; M314-Y399 HydrophobicContact CB-CE1 3.9Å; M314-Y399 HydrophobicContact CE-CD1 3.39Å; M314-Y399 HydrophobicContact CE-CD2 3.65Å; M314-Y399 HydrophobicContact CE-CE1 3.32Å; M314-Y399 HydrophobicContact CE-CE2 3.56Å; M314-Y399 HydrophobicContact CE-CG 3.55Å; M314-Y399 HydrophobicContact CG-CE1 4.03Å; M314-Y399 HydrophobicContact CG-CE2 4.4Å; M314-Y399 WeakPolarHBondContact CG-OH 3.34Å; R354-Y399 PolarHBondContact NH1-O 2.69Å; S397-Y399 PolarHBondContact O-N 3.03Å; S397-Y399 WeakPolarHBondContact OG-CD2 3.39Å; S397-Y399 PolarHBondContact OG-N 2.77Å; Y399-P444 HydrophobicContact CD1-CB 3.67Å; Y399-P444 HydrophobicContact CE1-CB 4.17Å; Y399-P444 HydrophobicContact CG-CB 4.48Å; Y399-K448 HydrophobicContact CD1-CG 4.18Å; Y399-K448 HydrophobicContact CE1-CG 4.24Å; Y399-T1034 HydrophobicContact CD2-CG2 3.67Å; Y399-T1034 HydrophobicContact CE2-CG2 3.49Å; Y399-T1034 VanDerWaalsContact CE2-CG2 3.49Å; Y399-Y1036 HydrophobicContact CG-CD2 4.3Å
400	P	98.1	Very high	93.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.17	C	C	.	.			trans	-57.1	154.3	-168.4	19.5	-33.7	0	0	0	114.6	L447 K450 I452 Y1036	P400-L447 HydrophobicContact CB-CB 3.87Å; P400-L447 WeakPolarHBondContact CB-O 3.37Å; P400-L447 WeakPolarHBondContact CD-O 3.11Å; P400-L447 HydrophobicContact CG-CB 3.62Å; P400-L447 HydrophobicContact CG-CD1 4.25Å; P400-K450 CarbonylContact C-O 3.57Å; P400-K450 WeakPolarHBondContact CA-O 3.11Å; P400-K450 WeakPolarHBondContact CB-O 3.46Å; P400-I452 HydrophobicContact CB-CD1 4.24Å; P400-Y1036 HydrophobicContact CG-CE2 4.29Å; P400-Y1036 PolarHBondContact O-OH 3.17Å
401	V	98.7	Very high	92.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	130.3	173.6	177.3	0	0	0	0	109.9	L349 R354 I356 A393 F394 L403 K450 I451 I452	L349-V401 HydrophobicContact CD2-CG1 4.13Å; L349-V401 HydrophobicContact CD2-CG2 4.22Å; R354-V401 CarbonylContact O-C 3.5Å; R354-V401 VanDerWaalsContact O-CA 3.29Å; R354-V401 WeakPolarHBondContact O-CA 3.17Å; I356-V401 HydrophobicContact CD1-CG1 4.39Å; I356-V401 HydrophobicContact CG1-CG1 4.26Å; A393-V401 HydrophobicContact CB-CG2 4.06Å; F394-V401 HydrophobicContact CE1-CG2 4.07Å; V401-L403 HydrophobicContact CG1-CD2 3.95Å; V401-K450 PolarHBondContact N-O 3.01Å; V401-I451 CarbonylContact O-C 3.57Å; V401-I451 VanDerWaalsContact O-CA 3.31Å; V401-I451 WeakPolarHBondContact O-CA 3.29Å; V401-I452 PolarHBondContact O-N 2.81Å
402	I	98.6	Very high	92.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	125.3	177.1	-55.5	170.3	0	0	0	108.9	L318 I323 R354 C355 I356 I452 K454 M1009	L318-I402 HydrophobicContact CD2-CD1 4.5Å; I323-I402 HydrophobicContact CD1-CD1 4.34Å; R354-I402 PolarHBondContact O-N 3.2Å; C355-I402 WeakPolarHBondContact CA-O 3.38Å; C355-I402 HydrophobicContact CB-CB 4.32Å; I356-I402 PolarHBondContact N-O 3.4Å; I402-I452 CarbonylContact C-O 3.53Å; I402-I452 WeakPolarHBondContact CA-O 3.03Å; I402-I452 HydrophobicContact CG1-CB 4.26Å; I402-I452 HydrophobicContact CG1-CD1 4.33Å; I402-K454 HydrophobicContact CG2-CB 4.24Å; I402-M1009 HydrophobicContact CB-CE 4.21Å; I402-M1009 HydrophobicContact CD1-CE 3.89Å; I402-M1009 HydrophobicContact CD1-SD 3.93Å; I402-M1009 HydrophobicContact CG2-CE 3.82Å
403	L	98.4	Very high	91.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	109.1	173.2	-52.4	-170.5	0	0	0	109.1	I356 L358 I389 V401 I405 F421 F425 I451 I452 I453 K454	I356-L403 HydrophobicContact CD1-CD2 3.51Å; I356-L403 HydrophobicContact CG1-CD2 3.44Å; I356-L403 VanDerWaalsContact CG1-CD2 3.44Å; L358-L403 HydrophobicContact CD1-CB 4.17Å; L358-L403 HydrophobicContact CD1-CD2 4.24Å; I389-L403 HydrophobicContact CD1-CD1 4.45Å; I389-L403 HydrophobicContact CD1-CD2 4.15Å; I389-L403 HydrophobicContact CG2-CD2 4.27Å; V401-L403 HydrophobicContact CG1-CD2 3.95Å; L403-I405 HydrophobicContact CB-CD1 3.92Å; L403-I405 PolarHBondContact O-N 2.82Å; L403-F421 HydrophobicContact CD1-CE1 3.93Å; L403-F421 HydrophobicContact CD1-CZ 4.46Å; L403-F425 HydrophobicContact CD1-CE2 3.68Å; L403-F425 HydrophobicContact CD1-CZ 3.92Å; L403-I451 HydrophobicContact CD1-CG2 3.69Å; L403-I451 HydrophobicContact CD2-CG2 4.41Å; L403-I451 HydrophobicContact CG-CG2 3.72Å; L403-I452 PolarHBondContact N-O 2.94Å; L403-I453 HydrophobicContact CB-CD1 4.01Å; L403-I453 HydrophobicContact CD1-CD1 3.77Å; L403-I453 HydrophobicContact CG-CD1 4.15Å; L403-K454 PolarHBondContact O-N 2.88Å
404	S	97.3	Very high	91.2	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.007	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	103.1	170.8	-177.4	0	0	0	0	108.8	I356 E357 L358 K454	I356-S404 PolarHBondContact O-N 2.77Å; E357-S404 WeakPolarHBondContact CA-O 3.38Å; L358-S404 PolarHBondContact N-O 3.03Å; S404-K454 PolarHBondContact OG-NZ 3.1Å
405	I	93.9	Very high	90.7	Very high	9 Å²	9	36.7 Å²	36.7	5%	0.046	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	119	179.1	-47.7	-56	0	0	0	108.9	L358 L403 E407 M417 F421 I453 K454 H455	L358-I405 HydrophobicContact CB-CD1 3.91Å; L358-I405 HydrophobicContact CD1-CD1 4.02Å; L358-I405 HydrophobicContact CD2-CD1 4.15Å; L358-I405 HydrophobicContact CG-CD1 4.26Å; L403-I405 HydrophobicContact CB-CD1 3.92Å; L403-I405 PolarHBondContact O-N 2.82Å; I405-E407 HydrophobicContact CG2-CB 4.22Å; I405-M417 HydrophobicContact CG2-CE 3.83Å; I405-F421 HydrophobicContact CD1-CZ 3.89Å; I405-I453 HydrophobicContact CG1-CG2 4.08Å; I405-K454 PolarHBondContact N-O 2.79Å; I405-H455 HydrophobicContact CB-CB 4.33Å
406	E	89.3	Confident	90.5	Very high	82 Å²	82	35 Å²	35	38%	0.383	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	124.9	162.1	-169	175.1	168	0	0	107.4	L358 D359 C360 H408	L358-E406 PolarHBondContact O-N 2.76Å; D359-E406 HydrophobicContact CB-CB 4.47Å; D359-E406 WeakPolarHBondContact OD1-CB 3.45Å; D359-E406 VanDerWaalsContact OD1-CG 3.27Å; D359-E406 WeakPolarHBondContact OD1-CG 3.44Å; C360-E406 PolarHBondContact N-O 2.69Å; E406-H408 WeakPolarHBondContact CG-NE2 3.42Å; E406-H408 IonicContact OE1-CE1 3.8Å; E406-H408 IonicContact OE1-NE2 3.98Å; E406-H408 PolarHBondContact OE1-NE2 3.41Å
407	E	85.5	Confident	90.6	Very high	18 Å²	18	33 Å²	33	8%	0.084	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	120.1	-158.8	-167.7	-76.3	130.3	0	0	110.8	I405 C409 Q414 H455 L930	I405-E407 HydrophobicContact CG2-CB 4.22Å; E407-C409 VanDerWaalsContact OE1-CA 3.24Å; E407-C409 WeakPolarHBondContact OE1-CA 3.14Å; E407-C409 VanDerWaalsContact OE1-CB 3.24Å; E407-C409 WeakPolarHBondContact OE1-CB 3.4Å; E407-C409 PolarHBondContact OE1-N 3.04Å; E407-Q414 HydrophobicContact CG-CG 4.17Å; E407-Q414 WeakPolarHBondContact OE1-CG 3.27Å; E407-Q414 PolarHBondContact OE1-NE2 3.48Å; E407-Q414 PolarHBondContact OE2-NE2 3.43Å; E407-H455 WeakPolarHBondContact CB-NE2 3.49Å; E407-H455 WeakPolarHBondContact CG-NE2 3.24Å; E407-H455 IonicContact OE2-NE2 3.26Å; E407-L930 HydrophobicContact CG-CD2 4.34Å
408	H	83.8	Confident	90.4	Very high	53 Å²	53	32.6 Å²	32.6	25%	0.245	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	17.4	-177.3	-53.4	-80.5	0	0	0	112.3	D359 C360 W361 E406	D359-H408 IonicContact OD1-CD2 2.84Å; D359-H408 PolarHBondContact OD1-CD2 2.66Å; D359-H408 VanDerWaalsContact OD1-CD2 3.26Å; D359-H408 IonicContact OD1-NE2 3.17Å; D359-H408 PolarHBondContact OD1-NE2 3.43Å; D359-H408 VanDerWaalsContact OD1-NE2 3.16Å; C360-H408 WeakPolarHBondContact O-CA 3.32Å; C360-H408 WeakPolarHBondContact O-CB 3.3Å; C360-H408 PolarHBondContact O-N 2.84Å; W361-H408 HydrophobicContact CD2-CB 3.66Å; W361-H408 AromaticContact CD2-CD2 3.95Å; W361-H408 AromaticContact CD2-CG 3.98Å; W361-H408 AromaticContact CE2-CD2 3.29Å; W361-H408 AromaticContact CE2-CG 3.67Å; W361-H408 AromaticContact CE2-NE2 3.93Å; W361-H408 HydrophobicContact CE3-CB 3.55Å; W361-H408 HydrophobicContact CG-CB 4.28Å; W361-H408 HydrophobicContact CH2-CB 3.93Å; W361-H408 AromaticContact CH2-CD2 3.91Å; W361-H408 AromaticContact CH2-CG 3.62Å; W361-H408 AromaticContact CH2-ND1 3.75Å; W361-H408 HydrophobicContact CZ2-CB 4.04Å; W361-H408 AromaticContact CZ2-CD2 3.27Å; W361-H408 WeakPolarHBondContact CZ2-CD2 3.32Å; W361-H408 AromaticContact CZ2-CE1 3.82Å; W361-H408 AromaticContact CZ2-CG 3.48Å; W361-H408 VanDerWaalsContact CZ2-CG 3.48Å; W361-H408 AromaticContact CZ2-ND1 3.86Å; W361-H408 AromaticContact CZ2-NE2 3.48Å; W361-H408 WeakPolarHBondContact CZ2-NE2 3.35Å; W361-H408 HydrophobicContact CZ3-CB 3.71Å; W361-H408 AromaticContact CZ3-CG 3.95Å; W361-H408 AromaticContact NE1-CD2 3.54Å; E406-H408 WeakPolarHBondContact CG-NE2 3.42Å; E406-H408 IonicContact OE1-CE1 3.8Å; E406-H408 IonicContact OE1-NE2 3.98Å; E406-H408 PolarHBondContact OE1-NE2 3.41Å
409	C	80.5	Confident	90.4	Very high	10 Å²	10	33.1 Å²	33.1	7%	0.068	16%	0.156	C	C	.	.			trans	-86.1	155	-179.7	-67.7	0	0	0	0	112.2	W361 D362 E407 Q413 Q414 M417	W361-C409 PolarHBondContact O-SG 2.92Å; D362-C409 WeakPolarHBondContact OD1-CA 3.41Å; E407-C409 VanDerWaalsContact OE1-CA 3.24Å; E407-C409 WeakPolarHBondContact OE1-CA 3.14Å; E407-C409 VanDerWaalsContact OE1-CB 3.24Å; E407-C409 WeakPolarHBondContact OE1-CB 3.4Å; E407-C409 PolarHBondContact OE1-N 3.04Å; C409-Q413 HydrophobicContact CB-CB 4.05Å; C409-Q414 HydrophobicContact CB-CG 3.97Å; C409-Q414 PolarHBondContact O-NE2 2.96Å; C409-M417 HydrophobicContact CB-SD 4.46Å
410	S	80.8	Confident	90.3	Very high	44 Å²	44	33.4 Å²	33.4	31%	0.308	16%	0.158	S	C	.	.			trans	-61.3	153.7	163.7	62	0	0	0	0	111.6	D362 E412 Q413 Q414	D362-S410 PolarHBondContact OD1-N 2.7Å; D362-S410 PolarHBondContact OD1-OG 2.78Å; D362-S410 VanDerWaalsContact OD2-CB 3.29Å; D362-S410 WeakPolarHBondContact OD2-CB 3.19Å; D362-S410 PolarHBondContact OD2-N 2.91Å; D362-S410 PolarHBondContact OD2-OG 2.74Å; S410-E412 PolarHBondContact O-N 2.76Å; S410-E412 VanDerWaalsContact O-N 3.1Å; S410-Q413 PolarHBondContact O-N 3.37Å; S410-Q413 WeakPolarHBondContact OG-CG 3.46Å; S410-Q414 WeakPolarHBondContact O-CG 3.44Å; S410-Q414 PolarHBondContact O-N 3.06Å
411	V	81.4	Confident	90.3	Very high	31 Å²	31	33.4 Å²	33.4	19%	0.188	16%	0.158	C	C	.	.	H	α-helix	trans	-55.1	-33.5	178.5	176.1	0	0	0	0	112.2	R415 Q924 A927	V411-R415 WeakPolarHBondContact O-CG 3.44Å; V411-R415 PolarHBondContact O-N 2.92Å; V411-R415 VanDerWaalsContact O-N 3.08Å; V411-Q924 WeakPolarHBondContact CG2-O 3.29Å; V411-A927 HydrophobicContact CG1-CB 4.05Å
412	E	80.9	Confident	90.1	Very high	153 Å²	153	37.4 Å²	37.4	72%	0.715	18%	0.175	S	C	*	.	H	α-helix	trans	-65	-47.7	176.4	-174.6	172.7	-176.8	0	0	111.9	S410 R415 H416	S410-E412 PolarHBondContact O-N 2.76Å; S410-E412 VanDerWaalsContact O-N 3.1Å; E412-R415 WeakPolarHBondContact O-CB 3.36Å; E412-R415 PolarHBondContact O-N 3.4Å; E412-H416 PolarHBondContact O-N 3.35Å
413	Q	87.3	Confident	90	Very high	14 Å²	14	43.5 Å²	43.5	7%	0.065	20%	0.204	C	C	.	.	H	α-helix	trans	-71.1	-31.2	177.7	-64.9	-158.6	31	0	0	112.2	D362 G363 G366 K367 P368 C409 S410 R415 H416 M417	D362-Q413 WeakPolarHBondContact OD1-CB 3.32Å; D362-Q413 WeakPolarHBondContact OD1-CG 3.09Å; D362-Q413 PolarHBondContact OD1-NE2 3.3Å; D362-Q413 PolarHBondContact OD1-OE1 3.06Å; G363-Q413 PolarHBondContact O-NE2 2.8Å; G363-Q413 VanDerWaalsContact O-NE2 3.12Å; G366-Q413 WeakPolarHBondContact O-CG 3.46Å; K367-Q413 PolarHBondContact O-OE1 2.88Å; K367-Q413 VanDerWaalsContact O-OE1 3.11Å; P368-Q413 VanDerWaalsContact CA-OE1 3.3Å; P368-Q413 HydrophobicContact CG-CB 4.11Å; C409-Q413 HydrophobicContact CB-CB 4.05Å; S410-Q413 PolarHBondContact O-N 3.37Å; S410-Q413 WeakPolarHBondContact OG-CG 3.46Å; Q413-R415 VanDerWaalsContact C-N 3.33Å; Q413-R415 PolarHBondContact O-N 3.44Å; Q413-H416 WeakPolarHBondContact O-CA 3.39Å; Q413-H416 WeakPolarHBondContact O-CB 3.45Å; Q413-H416 PolarHBondContact O-N 3.42Å; Q413-H416 VanDerWaalsContact O-N 3.12Å; Q413-M417 WeakPolarHBondContact O-CG 3.18Å; Q413-M417 PolarHBondContact O-N 3.06Å
414	Q	86.3	Confident	89.9	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.009	21%	0.211	C	C	.	.	H	α-helix	trans	-61.6	-37.8	169.8	-69.5	-178.8	34.7	0	0	112.6	E407 C409 S410 H416 M417 A418 A927 L930	E407-Q414 HydrophobicContact CG-CG 4.17Å; E407-Q414 WeakPolarHBondContact OE1-CG 3.27Å; E407-Q414 PolarHBondContact OE1-NE2 3.48Å; E407-Q414 PolarHBondContact OE2-NE2 3.43Å; C409-Q414 HydrophobicContact CB-CG 3.97Å; C409-Q414 PolarHBondContact O-NE2 2.96Å; S410-Q414 WeakPolarHBondContact O-CG 3.44Å; S410-Q414 PolarHBondContact O-N 3.06Å; Q414-H416 VanDerWaalsContact C-N 3.31Å; Q414-M417 WeakPolarHBondContact O-CB 3.48Å; Q414-M417 PolarHBondContact O-N 3.16Å; Q414-A418 PolarHBondContact O-N 3.31Å; Q414-A927 HydrophobicContact CB-CB 3.65Å; Q414-L930 HydrophobicContact CB-CD2 4.09Å; Q414-L930 HydrophobicContact CG-CD2 4.17Å
415	R	86.4	Confident	89.9	Confident	117 Å²	117	45 Å²	45	44%	0.442	21%	0.212	S	C	.	.	H	α-helix	trans	-63.9	-38.6	172.7	-72.5	-175.3	-171.4	113.8	3.7	111.5	V411 E412 Q413 A418 K419 A927 E929	V411-R415 WeakPolarHBondContact O-CG 3.44Å; V411-R415 PolarHBondContact O-N 2.92Å; V411-R415 VanDerWaalsContact O-N 3.08Å; E412-R415 WeakPolarHBondContact O-CB 3.36Å; E412-R415 PolarHBondContact O-N 3.4Å; Q413-R415 VanDerWaalsContact C-N 3.33Å; Q413-R415 PolarHBondContact O-N 3.44Å; R415-A418 PolarHBondContact O-N 2.91Å; R415-K419 WeakPolarHBondContact O-CB 3.23Å; R415-K419 PolarHBondContact O-N 3.19Å; R415-A927 HydrophobicContact CG-CB 4.09Å; R415-E929 WeakPolarHBondContact CD-OE1 3.44Å; R415-E929 IonicContact NE-OE1 2.76Å; R415-E929 PolarHBondContact NE-OE1 2.94Å; R415-E929 IonicContact NE-OE2 3.88Å
416	H	91.9	Very high	89.9	Confident	44 Å²	44	45.9 Å²	45.9	20%	0.204	22%	0.224	C	C	.	.	H	α-helix	trans	-61.5	-45.2	172.8	-178.8	83.2	0	0	0	111.1	P368 D383 E412 Q413 Q414 A418 K419 V420	P368-H416 VanDerWaalsContact CD-CD2 3.44Å; P368-H416 WeakPolarHBondContact CD-CD2 3.21Å; D383-H416 IonicContact OD1-CD2 3.57Å; D383-H416 IonicContact OD1-CE1 2.72Å; D383-H416 IonicContact OD1-NE2 3.87Å; D383-H416 PolarHBondContact OD1-NE2 3.21Å; D383-H416 IonicContact OD2-NE2 3.43Å; E412-H416 PolarHBondContact O-N 3.35Å; Q413-H416 WeakPolarHBondContact O-CA 3.39Å; Q413-H416 WeakPolarHBondContact O-CB 3.45Å; Q413-H416 PolarHBondContact O-N 3.42Å; Q413-H416 VanDerWaalsContact O-N 3.12Å; Q414-H416 VanDerWaalsContact C-N 3.31Å; H416-A418 PolarHBondContact O-N 2.88Å; H416-K419 WeakPolarHBondContact O-CB 3.23Å; H416-K419 PolarHBondContact O-N 2.95Å; H416-V420 WeakPolarHBondContact NE2-CG2 3.41Å; H416-V420 WeakPolarHBondContact O-CG2 3.25Å; H416-V420 PolarHBondContact O-N 2.87Å
417	M	94.3	Very high	90.1	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-55.3	-50.2	174.4	-64.5	170.5	67	0	0	111.9	C360 P368 F382 I405 C409 Q413 Q414 K419 V420 F421	C360-M417 HydrophobicContact CB-CE 3.72Å; C360-M417 HydrophobicContact CB-SD 4.13Å; C360-M417 VanDerWaalsContact SG-CE 3.51Å; P368-M417 HydrophobicContact CB-CG 4.12Å; P368-M417 HydrophobicContact CB-SD 4.43Å; P368-M417 HydrophobicContact CG-CG 3.41Å; P368-M417 VanDerWaalsContact CG-CG 3.41Å; P368-M417 HydrophobicContact CG-SD 4.18Å; F382-M417 HydrophobicContact CD1-CG 4.34Å; F382-M417 HydrophobicContact CD2-CE 4.39Å; F382-M417 HydrophobicContact CD2-CG 4.44Å; F382-M417 HydrophobicContact CE1-CB 4Å; F382-M417 HydrophobicContact CE1-CG 4Å; F382-M417 HydrophobicContact CE2-CB 4.44Å; F382-M417 HydrophobicContact CE2-CE 3.81Å; F382-M417 HydrophobicContact CE2-CG 4.12Å; F382-M417 HydrophobicContact CZ-CB 3.8Å; F382-M417 HydrophobicContact CZ-CE 4.25Å; F382-M417 HydrophobicContact CZ-CG 3.87Å; I405-M417 HydrophobicContact CG2-CE 3.83Å; C409-M417 HydrophobicContact CB-SD 4.46Å; Q413-M417 WeakPolarHBondContact O-CG 3.18Å; Q413-M417 PolarHBondContact O-N 3.06Å; Q414-M417 WeakPolarHBondContact O-CB 3.48Å; Q414-M417 PolarHBondContact O-N 3.16Å; M417-K419 VanDerWaalsContact C-N 3.3Å; M417-K419 PolarHBondContact O-N 3.21Å; M417-V420 PolarHBondContact O-N 3.02Å; M417-F421 HydrophobicContact CB-CE2 4.46Å; M417-F421 VanDerWaalsContact O-CD2 3.26Å; M417-F421 WeakPolarHBondContact O-CD2 3.41Å; M417-F421 WeakPolarHBondContact O-CG 3.43Å; M417-F421 PolarHBondContact O-N 2.68Å
418	A	92.2	Very high	90.6	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.008	25%	0.25	C	S	.	.	H	α-helix	trans	-61.6	-38.6	179.5	0	0	0	0	0	112.5	Q414 R415 H416 K422 E929 L930 L933	Q414-A418 PolarHBondContact O-N 3.31Å; R415-A418 PolarHBondContact O-N 2.91Å; H416-A418 PolarHBondContact O-N 2.88Å; A418-K422 WeakPolarHBondContact O-CG 3.36Å; A418-K422 PolarHBondContact O-N 3.33Å; A418-E929 HydrophobicContact CB-CB 3.87Å; A418-L930 HydrophobicContact CB-CB 4.15Å; A418-L930 HydrophobicContact CB-CD1 4.33Å; A418-L933 HydrophobicContact CB-CD1 4.16Å
419	K	94.4	Very high	91.2	Very high	112 Å²	112	48.1 Å²	48.1	49%	0.487	24%	0.239	S	C	.	.	H	α-helix	trans	-63.9	-51	175.2	-179.9	-176.3	173.6	-174	0	111.1	R415 H416 M417 F421 K422 E423	R415-K419 WeakPolarHBondContact O-CB 3.23Å; R415-K419 PolarHBondContact O-N 3.19Å; H416-K419 WeakPolarHBondContact O-CB 3.23Å; H416-K419 PolarHBondContact O-N 2.95Å; M417-K419 VanDerWaalsContact C-N 3.3Å; M417-K419 PolarHBondContact O-N 3.21Å; K419-F421 PolarHBondContact O-N 3.44Å; K419-K422 PolarHBondContact O-N 3Å; K419-E423 VanDerWaalsContact CE-CD 3.45Å; K419-E423 WeakPolarHBondContact CE-OE1 3.46Å; K419-E423 WeakPolarHBondContact CE-OE2 3.16Å; K419-E423 HydrophobicContact CG-CG 4.33Å; K419-E423 IonicContact NZ-OE1 3.41Å; K419-E423 WeakPolarHBondContact O-CB 3.5Å; K419-E423 WeakPolarHBondContact O-CG 3.26Å; K419-E423 PolarHBondContact O-N 3.16Å
420	V	96.4	Very high	91.9	Very high	10 Å²	10	48.1 Å²	48.1	6%	0.061	24%	0.238	C	C	.	.	H	α-helix	trans	-61.4	-43.2	-179.8	169	0	0	0	0	111.1	F382 V386 H416 M417 K422 E423 V424	F382-V420 HydrophobicContact CD1-CG1 4.29Å; F382-V420 HydrophobicContact CE1-CB 3.94Å; F382-V420 HydrophobicContact CE1-CG1 3.79Å; V386-V420 HydrophobicContact CB-CG1 4.14Å; V386-V420 HydrophobicContact CG1-CG1 4.07Å; V386-V420 HydrophobicContact CG2-CG1 4.28Å; H416-V420 WeakPolarHBondContact NE2-CG2 3.41Å; H416-V420 WeakPolarHBondContact O-CG2 3.25Å; H416-V420 PolarHBondContact O-N 2.87Å; M417-V420 PolarHBondContact O-N 3.02Å; V420-K422 VanDerWaalsContact C-N 3.33Å; V420-K422 PolarHBondContact O-N 3.47Å; V420-E423 PolarHBondContact O-N 3.22Å; V420-V424 HydrophobicContact CG1-CG2 3.85Å; V420-V424 VanDerWaalsContact O-CB 3.23Å; V420-V424 WeakPolarHBondContact O-CB 3.22Å; V420-V424 VanDerWaalsContact O-CG2 3.29Å; V420-V424 WeakPolarHBondContact O-CG2 3.24Å; V420-V424 PolarHBondContact O-N 3.11Å
421	F	97.1	Very high	92.3	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-56.8	-46.1	174.5	-75.6	-43.8	0	0	0	112.2	F382 V386 L403 I405 M417 K419 F425 L429 I453 L930 L933	F382-F421 HydrophobicContact CE2-CE1 4.12Å; F382-F421 HydrophobicContact CE2-CE2 4.25Å; F382-F421 AromaticContact CE2-CZ 3.69Å; F382-F421 HydrophobicContact CE2-CZ 3.69Å; F382-F421 HydrophobicContact CZ-CD1 4.17Å; F382-F421 HydrophobicContact CZ-CD2 4.26Å; F382-F421 AromaticContact CZ-CE1 3.67Å; F382-F421 HydrophobicContact CZ-CE1 3.67Å; F382-F421 AromaticContact CZ-CE2 3.75Å; F382-F421 HydrophobicContact CZ-CE2 3.75Å; F382-F421 HydrophobicContact CZ-CG 4.46Å; F382-F421 AromaticContact CZ-CZ 3.44Å; F382-F421 HydrophobicContact CZ-CZ 3.44Å; F382-F421 VanDerWaalsContact CZ-CZ 3.44Å; V386-F421 HydrophobicContact CG1-CD1 4.04Å; V386-F421 HydrophobicContact CG1-CE1 4.38Å; V386-F421 HydrophobicContact CG2-CD1 4.1Å; V386-F421 HydrophobicContact CG2-CE1 3.75Å; L403-F421 HydrophobicContact CD1-CE1 3.93Å; L403-F421 HydrophobicContact CD1-CZ 4.46Å; I405-F421 HydrophobicContact CD1-CZ 3.89Å; M417-F421 HydrophobicContact CB-CE2 4.46Å; M417-F421 VanDerWaalsContact O-CD2 3.26Å; M417-F421 WeakPolarHBondContact O-CD2 3.41Å; M417-F421 WeakPolarHBondContact O-CG 3.43Å; M417-F421 PolarHBondContact O-N 2.68Å; K419-F421 PolarHBondContact O-N 3.44Å; F421-F425 HydrophobicContact CB-CD2 4.42Å; F421-F425 AromaticContact CD1-CD2 3.82Å; F421-F425 HydrophobicContact CD1-CD2 3.82Å; F421-F425 AromaticContact CD1-CE2 3.35Å; F421-F425 HydrophobicContact CD1-CE2 3.35Å; F421-F425 HydrophobicContact CD1-CZ 4.24Å; F421-F425 AromaticContact CE1-CE2 3.76Å; F421-F425 HydrophobicContact CE1-CE2 3.76Å; F421-F425 HydrophobicContact CE1-CZ 4.41Å; F421-F425 HydrophobicContact CG-CE2 4.42Å; F421-F425 WeakPolarHBondContact O-CB 3.48Å; F421-F425 PolarHBondContact O-N 3.29Å; F421-F425 VanDerWaalsContact O-N 3.1Å; F421-L429 HydrophobicContact CB-CD2 4.08Å; F421-I453 HydrophobicContact CD1-CD1 4.48Å; F421-I453 HydrophobicContact CE1-CD1 4.3Å; F421-I453 HydrophobicContact CE2-CD1 4.34Å; F421-I453 HydrophobicContact CZ-CD1 4.22Å; F421-L930 HydrophobicContact CD2-CD1 4.24Å; F421-L930 HydrophobicContact CE2-CD1 4.19Å; F421-L933 HydrophobicContact CB-CD1 3.98Å; F421-L933 HydrophobicContact CD2-CD1 4.07Å; F421-L933 HydrophobicContact CG-CD1 4.49Å
422	K	95.1	Very high	92.6	Very high	84 Å²	84	56.4 Å²	56.4	37%	0.365	27%	0.269	S	S	.	.	H	α-helix	trans	-65.7	-44.2	178.9	-70.9	173	-175.8	175.5	0	112.3	A418 K419 V420 G426 L429 M431 L933	A418-K422 WeakPolarHBondContact O-CG 3.36Å; A418-K422 PolarHBondContact O-N 3.33Å; K419-K422 PolarHBondContact O-N 3Å; V420-K422 VanDerWaalsContact C-N 3.33Å; V420-K422 PolarHBondContact O-N 3.47Å; K422-G426 WeakPolarHBondContact O-CA 3.47Å; K422-G426 PolarHBondContact O-N 3.17Å; K422-G426 VanDerWaalsContact O-N 3.16Å; K422-L429 HydrophobicContact CG-CD2 4.13Å; K422-M431 HydrophobicContact CG-SD 4.33Å; K422-L933 HydrophobicContact CD-CD2 4.43Å; K422-L933 VanDerWaalsContact CE-CD2 3.45Å; K422-L933 HydrophobicContact CG-CD2 4.08Å
423	E	95.9	Very high	92.9	Very high	128 Å²	128	52 Å²	52	60%	0.598	25%	0.253	S	S	*	.	H	α-helix	trans	-72.2	-41.5	-177	-72.2	178.6	170.3	0	0	112.6	K419 V420	K419-E423 VanDerWaalsContact CE-CD 3.45Å; K419-E423 WeakPolarHBondContact CE-OE1 3.46Å; K419-E423 WeakPolarHBondContact CE-OE2 3.16Å; K419-E423 HydrophobicContact CG-CG 4.33Å; K419-E423 IonicContact NZ-OE1 3.41Å; K419-E423 WeakPolarHBondContact O-CB 3.5Å; K419-E423 WeakPolarHBondContact O-CG 3.26Å; K419-E423 PolarHBondContact O-N 3.16Å; V420-E423 PolarHBondContact O-N 3.22Å
424	V	96.9	Very high	93	Very high	25 Å²	25	54.9 Å²	54.9	15%	0.152	27%	0.268	C	S	.	.	H	α-helix	trans	-80.3	-53	-174.4	178.2	0	0	0	0	110.7	V386 K390 V420	V386-V424 HydrophobicContact CG1-CB 3.89Å; V386-V424 HydrophobicContact CG1-CG1 3.79Å; V386-V424 HydrophobicContact CG1-CG2 4.38Å; K390-V424 HydrophobicContact CB-CG1 4.01Å; K390-V424 HydrophobicContact CD-CG1 3.56Å; K390-V424 VanDerWaalsContact CD-O 3.24Å; K390-V424 WeakPolarHBondContact CD-O 3.35Å; K390-V424 WeakPolarHBondContact CE-O 3.26Å; K390-V424 HydrophobicContact CG-CG1 4.4Å; K390-V424 PolarHBondContact NZ-O 3.24Å; V420-V424 HydrophobicContact CG1-CG2 3.85Å; V420-V424 VanDerWaalsContact O-CB 3.23Å; V420-V424 WeakPolarHBondContact O-CB 3.22Å; V420-V424 VanDerWaalsContact O-CG2 3.29Å; V420-V424 WeakPolarHBondContact O-CG2 3.24Å; V420-V424 PolarHBondContact O-N 3.11Å
425	F	97	Very high	93	Very high	7 Å²	7	59.7 Å²	59.7	3%	0.031	29%	0.291	C	S	.	.	H	α-helix	trans	-79.2	-27.1	-177	-62	-35.5	0	0	0	113.6	V386 I389 K390 L403 F421 D427 Q428 L429 I451	V386-F425 HydrophobicContact CB-CZ 4.47Å; V386-F425 HydrophobicContact CG1-CD1 4.29Å; V386-F425 HydrophobicContact CG1-CD2 4.48Å; V386-F425 HydrophobicContact CG1-CE1 3.69Å; V386-F425 HydrophobicContact CG1-CE2 3.94Å; V386-F425 HydrophobicContact CG1-CZ 3.5Å; V386-F425 WeakPolarHBondContact O-CE1 3.42Å; I389-F425 HydrophobicContact CB-CE1 4.17Å; I389-F425 HydrophobicContact CB-CZ 4.13Å; I389-F425 HydrophobicContact CG2-CE1 3.9Å; I389-F425 HydrophobicContact CG2-CZ 3.76Å; K390-F425 HydrophobicContact CB-CD1 3.96Å; K390-F425 HydrophobicContact CB-CE1 3.97Å; L403-F425 HydrophobicContact CD1-CE2 3.68Å; L403-F425 HydrophobicContact CD1-CZ 3.92Å; F421-F425 HydrophobicContact CB-CD2 4.42Å; F421-F425 AromaticContact CD1-CD2 3.82Å; F421-F425 HydrophobicContact CD1-CD2 3.82Å; F421-F425 AromaticContact CD1-CE2 3.35Å; F421-F425 HydrophobicContact CD1-CE2 3.35Å; F421-F425 HydrophobicContact CD1-CZ 4.24Å; F421-F425 AromaticContact CE1-CE2 3.76Å; F421-F425 HydrophobicContact CE1-CE2 3.76Å; F421-F425 HydrophobicContact CE1-CZ 4.41Å; F421-F425 HydrophobicContact CG-CE2 4.42Å; F421-F425 WeakPolarHBondContact O-CB 3.48Å; F421-F425 PolarHBondContact O-N 3.29Å; F421-F425 VanDerWaalsContact O-N 3.1Å; F425-D427 PolarHBondContact O-N 3.03Å; F425-Q428 HydrophobicContact CB-CB 4.5Å; F425-Q428 WeakPolarHBondContact O-CB 3.49Å; F425-Q428 PolarHBondContact O-N 2.95Å; F425-L429 HydrophobicContact CB-CB 3.89Å; F425-L429 HydrophobicContact CD2-CD1 4.31Å; F425-I451 HydrophobicContact CB-CD1 4.35Å; F425-I451 HydrophobicContact CD1-CD1 3.46Å; F425-I451 VanDerWaalsContact CD1-CD1 3.46Å; F425-I451 HydrophobicContact CD2-CD1 3.96Å; F425-I451 HydrophobicContact CD2-CG2 4.2Å; F425-I451 HydrophobicContact CE1-CD1 3.55Å; F425-I451 HydrophobicContact CE2-CD1 4.01Å; F425-I451 HydrophobicContact CE2-CG2 3.93Å; F425-I451 HydrophobicContact CG-CD1 3.68Å; F425-I451 HydrophobicContact CZ-CD1 3.81Å; F425-I451 HydrophobicContact CZ-CG2 4.45Å
426	G	95	Very high	92.6	Very high	28 Å²	28	58.4 Å²	58.4	29%	0.289	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	52.3	-123.2	178.2	0	0	0	0	0	112.4	K422 Q428 L429	K422-G426 WeakPolarHBondContact O-CA 3.47Å; K422-G426 PolarHBondContact O-N 3.17Å; K422-G426 VanDerWaalsContact O-N 3.16Å; G426-Q428 PolarHBondContact O-N 3.14Å; G426-L429 WeakPolarHBondContact O-CB 3.3Å; G426-L429 PolarHBondContact O-N 3.09Å; G426-L429 VanDerWaalsContact O-N 3.14Å
427	D	93.3	Very high	92	Very high	145 Å²	145	61 Å²	61	78%	0.775	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-68	-18	-178.5	-63.9	-33.4	0	0	0	114.1	F425 L429 K450	F425-D427 PolarHBondContact O-N 3.03Å; D427-L429 VanDerWaalsContact C-N 3.27Å; D427-K450 PolarHBondContact O-NZ 2.86Å
428	Q	96.3	Very high	91.6	Very high	52 Å²	52	62.2 Å²	62.2	24%	0.243	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-71.8	-25.6	174.6	-63.8	176.6	-23.7	0	0	111	F394 F425 G426 L430 E449 K450 I451	F394-Q428 HydrophobicContact CE2-CB 4.45Å; F394-Q428 HydrophobicContact CE2-CG 4.3Å; F425-Q428 HydrophobicContact CB-CB 4.5Å; F425-Q428 WeakPolarHBondContact O-CB 3.49Å; F425-Q428 PolarHBondContact O-N 2.95Å; G426-Q428 PolarHBondContact O-N 3.14Å; Q428-L430 PolarHBondContact O-N 3.34Å; Q428-E449 WeakPolarHBondContact CA-O 3.34Å; Q428-K450 CarbonylContact O-C 3.58Å; Q428-K450 VanDerWaalsContact O-CA 3.27Å; Q428-K450 WeakPolarHBondContact O-CA 3.49Å; Q428-I451 HydrophobicContact CB-CD1 4.42Å; Q428-I451 PolarHBondContact O-N 3.28Å
429	L	97	Very high	91.3	Very high	4 Å²	4	68.1 Å²	68.1	2%	0.021	37%	0.37	C	S	.	.	B	Isolated β-bridge	trans	-73.4	125.5	177.7	-176.2	60.4	0	0	0	111.1	F421 K422 F425 G426 D427 M431 I453 L933	F421-L429 HydrophobicContact CB-CD2 4.08Å; K422-L429 HydrophobicContact CG-CD2 4.13Å; F425-L429 HydrophobicContact CB-CB 3.89Å; F425-L429 HydrophobicContact CD2-CD1 4.31Å; G426-L429 WeakPolarHBondContact O-CB 3.3Å; G426-L429 PolarHBondContact O-N 3.09Å; G426-L429 VanDerWaalsContact O-N 3.14Å; D427-L429 VanDerWaalsContact C-N 3.27Å; L429-M431 HydrophobicContact CB-CG 4.45Å; L429-M431 HydrophobicContact CD2-CG 4.07Å; L429-M431 HydrophobicContact CD2-SD 4.43Å; L429-M431 HydrophobicContact CG-CG 3.97Å; L429-M431 PolarHBondContact O-N 3.45Å; L429-M431 VanDerWaalsContact O-N 3.13Å; L429-I453 HydrophobicContact CD1-CD1 4.1Å; L429-I453 HydrophobicContact CD1-CG1 3.74Å; L429-L933 HydrophobicContact CD2-CD1 4.27Å; L429-L933 HydrophobicContact CD2-CD2 3.75Å
430	L	94.1	Very high	91.2	Very high	9 Å²	9	67.2 Å²	67.2	5%	0.047	37%	0.367	C	S	.	.			trans	-76	102.7	175	-174.1	71.9	0	0	0	110.8	Q428 K432 I434 L447 I451 I452 I935 Y936	Q428-L430 PolarHBondContact O-N 3.34Å; L430-K432 VanDerWaalsContact CD1-O 3.31Å; L430-K432 WeakPolarHBondContact CD1-O 3.37Å; L430-I434 HydrophobicContact CD1-CD1 3.9Å; L430-I434 HydrophobicContact CD1-CG1 4.49Å; L430-L447 HydrophobicContact CD1-CD2 4.32Å; L430-L447 HydrophobicContact CD2-CD2 4.13Å; L430-I451 WeakPolarHBondContact CB-O 3.4Å; L430-I451 PolarHBondContact N-O 2.64Å; L430-I452 HydrophobicContact CD2-CG1 4.09Å; L430-I935 HydrophobicContact CD2-CB 4.37Å; L430-I935 HydrophobicContact CD2-CG2 4.45Å; L430-I935 WeakPolarHBondContact O-CG1 3.29Å; L430-Y936 HydrophobicContact CD2-CD2 3.5Å; L430-Y936 HydrophobicContact CD2-CE2 3.7Å
431	M	88.6	Confident	91	Very high	86 Å²	86	67 Å²	67	42%	0.424	37%	0.366	S	S	.	.			trans	-105.2	-7.4	-178.6	-65.1	-174.9	-76.5	0	0	114.6	K422 L429 L933 I935	K422-M431 HydrophobicContact CG-SD 4.33Å; L429-M431 HydrophobicContact CB-CG 4.45Å; L429-M431 HydrophobicContact CD2-CG 4.07Å; L429-M431 HydrophobicContact CD2-SD 4.43Å; L429-M431 HydrophobicContact CG-CG 3.97Å; L429-M431 PolarHBondContact O-N 3.45Å; L429-M431 VanDerWaalsContact O-N 3.13Å; M431-L933 HydrophobicContact CG-CD2 4.2Å; M431-I935 VanDerWaalsContact O-CD1 3.25Å; M431-I935 WeakPolarHBondContact O-CD1 3.45Å
432	K	87.9	Confident	91	Very high	164 Å²	164	67.5 Å²	67.5	71%	0.713	37%	0.369	S	S	*	.	S	Bend	trans	-143.1	150.6	179.7	-64.9	-178	-177.2	175.7	0	110.2	L430	L430-K432 VanDerWaalsContact CD1-O 3.31Å; L430-K432 WeakPolarHBondContact CD1-O 3.37Å
433	P	88.3	Confident	91	Very high	59 Å²	59	63.7 Å²	63.7	38%	0.383	35%	0.353	S	S	.	.			trans	-57.1	142.1	169.8	-20.2	31.3	0	0	0	110.4	E435 I935	P433-E435 VanDerWaalsContact C-N 3.32Å; P433-I935 HydrophobicContact CB-CG2 4.29Å; P433-I935 HydrophobicContact CG-CG2 3.89Å
434	I	88.6	Confident	91.1	Very high	75 Å²	75	57.6 Å²	57.6	39%	0.385	32%	0.324	S	S	.	.	S	Bend	trans	-63.1	-44.7	176.3	-61.4	-60.4	0	0	0	110	L430 P442 L447 Y936	L430-I434 HydrophobicContact CD1-CD1 3.9Å; L430-I434 HydrophobicContact CD1-CG1 4.49Å; I434-P442 HydrophobicContact CB-CB 4.45Å; I434-P442 HydrophobicContact CG1-CB 4.2Å; I434-P442 HydrophobicContact CG1-CG 4.34Å; I434-L447 HydrophobicContact CD1-CD2 4.12Å; I434-L447 HydrophobicContact CG1-CD2 3.91Å; I434-Y936 PolarHBondContact N-OH 3.17Å
435	E	87.2	Confident	91	Very high	104 Å²	104	58.4 Å²	58.4	49%	0.486	33%	0.33	S	S	.	.			trans	-134.9	127.6	174.4	-175.5	179.1	172.4	0	0	109.3	P433 S437 A438	P433-E435 VanDerWaalsContact C-N 3.32Å; E435-S437 WeakPolarHBondContact CG-OG 3.23Å; E435-S437 PolarHBondContact OE1-OG 3.18Å; E435-A438 HydrophobicContact CB-CB 4.08Å; E435-A438 HydrophobicContact CG-CB 4.33Å
436	A	77.4	Confident	91	Very high	90 Å²	90	63 Å²	63	74%	0.744	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-29.3	-176.1	0	0	0	0	0	113
437	S	80.1	Confident	91.1	Very high	97 Å²	97	61.6 Å²	61.6	68%	0.678	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-3.2	179.2	39.7	0	0	0	0	114.5	E435	E435-S437 WeakPolarHBondContact CG-OG 3.23Å; E435-S437 PolarHBondContact OE1-OG 3.18Å
438	A	85.5	Confident	91.2	Very high	26 Å²	26	58.2 Å²	58.2	22%	0.215	32%	0.316	C	S	.	.			trans	-62.1	143.6	-177.7	0	0	0	0	0	111.9	E435 F952	E435-A438 HydrophobicContact CB-CB 4.08Å; E435-A438 HydrophobicContact CG-CB 4.33Å; A438-F952 WeakPolarHBondContact O-CE1 3.11Å; A438-F952 WeakPolarHBondContact O-CZ 3.39Å
439	D	86.3	Confident	91.2	Very high	126 Å²	126	60.6 Å²	60.6	67%	0.674	33%	0.327	S	S	*	.	S	Bend	trans	-105	0.2	174.8	65.4	-22.6	0	0	0	112.7	F952	D439-F952 WeakPolarHBondContact O-CD1 3.42Å
440	Q	90.9	Very high	91.3	Very high	92 Å²	92	63.3 Å²	63.3	43%	0.43	34%	0.338	S	S	.	.	S	Bend	trans	-140.1	165.1	-178.9	-61.3	-178.8	9.9	0	0	111.7	P317 F952	P317-Q440 HydrophobicContact CG-CB 4.3Å; Q440-F952 WeakPolarHBondContact O-CD2 3.49Å; Q440-F952 VanDerWaalsContact O-CE2 3.22Å; Q440-F952 WeakPolarHBondContact O-CE2 2.99Å
441	L	93.6	Very high	91.5	Very high	6 Å²	6	62.9 Å²	62.9	3%	0.031	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-66.1	142.9	173.3	-78.1	164.8	0	0	0	111	P317 L318 Y936 F952 L982	P317-L441 WeakPolarHBondContact CA-O 3.42Å; P317-L441 WeakPolarHBondContact CB-O 3.32Å; L318-L441 HydrophobicContact CB-CB 3.99Å; L318-L441 HydrophobicContact CB-CD1 4.25Å; L441-Y936 HydrophobicContact CD2-CD1 3.73Å; L441-Y936 HydrophobicContact CD2-CE1 4.36Å; L441-Y936 HydrophobicContact CD2-CG 4.09Å; L441-F952 WeakPolarHBondContact CD1-O 3.39Å; L441-F952 HydrophobicContact CD2-CD2 4.24Å; L441-F952 WeakPolarHBondContact CD2-O 3.5Å; L441-F952 HydrophobicContact CG-CB 4.34Å; L441-F952 HydrophobicContact CG-CD2 4.12Å; L441-F952 WeakPolarHBondContact CG-O 3.45Å; L441-L982 HydrophobicContact CD1-CD1 3.96Å; L441-L982 HydrophobicContact CD1-CD2 3.97Å; L441-L982 HydrophobicContact CD1-CG 3.7Å
442	P	95.4	Very high	91.9	Very high	10 Å²	10	58.9 Å²	58.9	7%	0.065	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-63.1	156.5	172.3	29.3	-36.5	0	0	0	111	L318 I434 Q446 L447 Y936	L318-P442 WeakPolarHBondContact CB-O 3.35Å; L318-P442 PolarHBondContact N-O 3.4Å; L318-P442 VanDerWaalsContact N-O 3.16Å; I434-P442 HydrophobicContact CB-CB 4.45Å; I434-P442 HydrophobicContact CG1-CB 4.2Å; I434-P442 HydrophobicContact CG1-CG 4.34Å; P442-Q446 HydrophobicContact CB-CB 4.24Å; P442-L447 HydrophobicContact CB-CD1 4.24Å; P442-L447 HydrophobicContact CB-CD2 4.48Å; P442-L447 HydrophobicContact CB-CG 4.09Å; P442-L447 HydrophobicContact CG-CD1 3.61Å; P442-L447 HydrophobicContact CG-CD2 4Å; P442-L447 HydrophobicContact CG-CG 3.83Å; P442-Y936 HydrophobicContact CG-CD2 4.45Å; P442-Y936 HydrophobicContact CG-CE2 3.81Å
443	S	96.3	Very high	92.3	Very high	4 Å²	4	51.1 Å²	51.1	3%	0.028	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-75.8	158.3	177.7	61.7	0	0	0	0	113.3	N315 N316 T445 Q446 L447	N315-S443 VanDerWaalsContact C-CB 3.49Å; N316-S443 WeakPolarHBondContact O-CA 3.15Å; N316-S443 WeakPolarHBondContact O-CB 3.4Å; S443-T445 PolarHBondContact O-N 3.28Å; S443-Q446 PolarHBondContact O-N 3.27Å; S443-Q446 VanDerWaalsContact O-N 3.09Å; S443-Q446 VanDerWaalsContact OG-CG 3.31Å; S443-Q446 WeakPolarHBondContact OG-CG 3.46Å; S443-Q446 PolarHBondContact OG-N 3.3Å; S443-Q446 PolarHBondContact OG-OE1 3.13Å; S443-L447 PolarHBondContact O-N 2.88Å
444	P	97.1	Very high	92.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-40.1	169.2	-28.5	35.6	0	0	0	113	M314 N316 L318 Y321 Y399 L447 K448 Y1036	M314-P444 HydrophobicContact CE-CB 3.53Å; M314-P444 HydrophobicContact CE-CG 4.08Å; M314-P444 WeakPolarHBondContact O-CD 3.3Å; N316-P444 WeakPolarHBondContact O-CD 3.01Å; L318-P444 HydrophobicContact CD1-CG 4.01Å; Y321-P444 HydrophobicContact CD1-CG 4.35Å; Y321-P444 HydrophobicContact CD2-CG 3.88Å; Y321-P444 HydrophobicContact CE1-CG 4.1Å; Y321-P444 VanDerWaalsContact CE2-CD 3.44Å; Y321-P444 HydrophobicContact CE2-CG 3.58Å; Y321-P444 HydrophobicContact CG-CG 4.25Å; Y399-P444 HydrophobicContact CD1-CB 3.67Å; Y399-P444 HydrophobicContact CE1-CB 4.17Å; Y399-P444 HydrophobicContact CG-CB 4.48Å; P444-L447 CarbonylContact O-C 3.58Å; P444-L447 PolarHBondContact O-N 3.21Å; P444-K448 PolarHBondContact O-N 2.86Å; P444-Y1036 HydrophobicContact CG-CD1 4.15Å; P444-Y1036 HydrophobicContact CG-CE1 4.49Å
445	T	96.4	Very high	92.7	Very high	43 Å²	43	45.9 Å²	45.9	26%	0.264	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-60.7	-43.9	176	-64.1	0	0	0	0	112.7	M314 N315 S443 L447 K448	M314-T445 WeakPolarHBondContact CB-OG1 3.41Å; M314-T445 WeakPolarHBondContact O-CB 3.14Å; M314-T445 PolarHBondContact O-N 2.84Å; M314-T445 VanDerWaalsContact O-N 3.11Å; M314-T445 PolarHBondContact O-OG1 3.16Å; N315-T445 VanDerWaalsContact OD1-CB 3.29Å; N315-T445 WeakPolarHBondContact OD1-CB 3.49Å; N315-T445 PolarHBondContact OD1-OG1 3.27Å; S443-T445 PolarHBondContact O-N 3.28Å; T445-L447 PolarHBondContact O-N 3.46Å; T445-K448 WeakPolarHBondContact O-CG 3.32Å; T445-K448 PolarHBondContact O-N 2.98Å
446	Q	95.4	Very high	92.5	Very high	102 Å²	102	45.2 Å²	45.2	48%	0.477	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-67.7	-20.2	178.3	-73.8	168.4	-54.4	0	0	113.1	P442 S443	P442-Q446 HydrophobicContact CB-CB 4.24Å; S443-Q446 PolarHBondContact O-N 3.27Å; S443-Q446 VanDerWaalsContact O-N 3.09Å; S443-Q446 VanDerWaalsContact OG-CG 3.31Å; S443-Q446 WeakPolarHBondContact OG-CG 3.46Å; S443-Q446 PolarHBondContact OG-N 3.3Å; S443-Q446 PolarHBondContact OG-OE1 3.13Å
447	L	96.7	Very high	92.5	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-107.5	16.7	-177.5	-69.9	173.5	0	0	0	113.1	L318 P400 L430 I434 P442 S443 P444 T445 E449 K450 I452	L318-L447 HydrophobicContact CD2-CD1 4.32Å; P400-L447 HydrophobicContact CB-CB 3.87Å; P400-L447 WeakPolarHBondContact CB-O 3.37Å; P400-L447 WeakPolarHBondContact CD-O 3.11Å; P400-L447 HydrophobicContact CG-CB 3.62Å; P400-L447 HydrophobicContact CG-CD1 4.25Å; L430-L447 HydrophobicContact CD1-CD2 4.32Å; L430-L447 HydrophobicContact CD2-CD2 4.13Å; I434-L447 HydrophobicContact CD1-CD2 4.12Å; I434-L447 HydrophobicContact CG1-CD2 3.91Å; P442-L447 HydrophobicContact CB-CD1 4.24Å; P442-L447 HydrophobicContact CB-CD2 4.48Å; P442-L447 HydrophobicContact CB-CG 4.09Å; P442-L447 HydrophobicContact CG-CD1 3.61Å; P442-L447 HydrophobicContact CG-CD2 4Å; P442-L447 HydrophobicContact CG-CG 3.83Å; S443-L447 PolarHBondContact O-N 2.88Å; P444-L447 CarbonylContact O-C 3.58Å; P444-L447 PolarHBondContact O-N 3.21Å; T445-L447 PolarHBondContact O-N 3.46Å; L447-E449 PolarHBondContact O-N 3.49Å; L447-K450 HydrophobicContact CB-CB 4.49Å; L447-K450 HydrophobicContact CD2-CB 4.45Å; L447-K450 HydrophobicContact CD2-CG 4.48Å; L447-K450 VanDerWaalsContact O-CB 3.25Å; L447-K450 WeakPolarHBondContact O-CB 3.11Å; L447-K450 PolarHBondContact O-N 3.08Å; L447-I452 HydrophobicContact CD1-CD1 3.84Å
448	K	96.5	Very high	92.1	Very high	74 Å²	74	41 Å²	41	32%	0.322	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	136.8	175	-80.8	-173.5	171.5	-150.8	0	111.5	E398 Y399 P444 T445 K450	E398-K448 CarbonylContact O-C 3.48Å; E398-K448 WeakPolarHBondContact O-CA 3.42Å; E398-K448 IonicContact OE2-NZ 2.96Å; E398-K448 PolarHBondContact OE2-NZ 2.99Å; Y399-K448 HydrophobicContact CD1-CG 4.18Å; Y399-K448 HydrophobicContact CE1-CG 4.24Å; P444-K448 PolarHBondContact O-N 2.86Å; T445-K448 WeakPolarHBondContact O-CG 3.32Å; T445-K448 PolarHBondContact O-N 2.98Å; K448-K450 PolarHBondContact O-N 2.95Å
449	E	96.8	Very high	91.1	Very high	102 Å²	102	41 Å²	41	48%	0.477	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	25.2	-177.8	-54.9	-175.5	162.3	0	0	114	F394 E398 Q428 L447	F394-E449 HydrophobicContact CE2-CB 4.46Å; E398-E449 PolarHBondContact O-N 2.69Å; Q428-E449 WeakPolarHBondContact CA-O 3.34Å; L447-E449 PolarHBondContact O-N 3.49Å
450	K	98.1	Very high	89.4	Confident	60 Å²	60	42 Å²	42	26%	0.261	22%	0.217	S	C	.	.			trans	-103.5	140.8	176.1	-58.8	-59	175.1	-176.3	0	113.2	P400 V401 D427 Q428 L447 K448	P400-K450 CarbonylContact C-O 3.57Å; P400-K450 WeakPolarHBondContact CA-O 3.11Å; P400-K450 WeakPolarHBondContact CB-O 3.46Å; V401-K450 PolarHBondContact N-O 3.01Å; D427-K450 PolarHBondContact O-NZ 2.86Å; Q428-K450 CarbonylContact O-C 3.58Å; Q428-K450 VanDerWaalsContact O-CA 3.27Å; Q428-K450 WeakPolarHBondContact O-CA 3.49Å; L447-K450 HydrophobicContact CB-CB 4.49Å; L447-K450 HydrophobicContact CD2-CB 4.45Å; L447-K450 HydrophobicContact CD2-CG 4.48Å; L447-K450 VanDerWaalsContact O-CB 3.25Å; L447-K450 WeakPolarHBondContact O-CB 3.11Å; L447-K450 PolarHBondContact O-N 3.08Å; K448-K450 PolarHBondContact O-N 2.95Å
451	I	98.3	Very high	87.3	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	124.9	172.3	-59.3	178	0	0	0	108.2	I389 F394 V401 L403 F425 Q428 L430 I453	I389-I451 HydrophobicContact CG2-CD1 4.36Å; F394-I451 HydrophobicContact CE2-CD1 4.39Å; F394-I451 HydrophobicContact CE2-CG1 4.16Å; F394-I451 HydrophobicContact CZ-CD1 4.49Å; F394-I451 HydrophobicContact CZ-CG1 3.8Å; V401-I451 CarbonylContact O-C 3.57Å; V401-I451 VanDerWaalsContact O-CA 3.31Å; V401-I451 WeakPolarHBondContact O-CA 3.29Å; L403-I451 HydrophobicContact CD1-CG2 3.69Å; L403-I451 HydrophobicContact CD2-CG2 4.41Å; L403-I451 HydrophobicContact CG-CG2 3.72Å; F425-I451 HydrophobicContact CB-CD1 4.35Å; F425-I451 HydrophobicContact CD1-CD1 3.46Å; F425-I451 VanDerWaalsContact CD1-CD1 3.46Å; F425-I451 HydrophobicContact CD2-CD1 3.96Å; F425-I451 HydrophobicContact CD2-CG2 4.2Å; F425-I451 HydrophobicContact CE1-CD1 3.55Å; F425-I451 HydrophobicContact CE2-CD1 4.01Å; F425-I451 HydrophobicContact CE2-CG2 3.93Å; F425-I451 HydrophobicContact CG-CD1 3.68Å; F425-I451 HydrophobicContact CZ-CD1 3.81Å; F425-I451 HydrophobicContact CZ-CG2 4.45Å; Q428-I451 HydrophobicContact CB-CD1 4.42Å; Q428-I451 PolarHBondContact O-N 3.28Å; L430-I451 WeakPolarHBondContact CB-O 3.4Å; L430-I451 PolarHBondContact N-O 2.64Å; I451-I453 HydrophobicContact CG2-CD1 4.44Å
452	I	97.8	Very high	85.1	Confident	3 Å²	3	48.6 Å²	48.6	2%	0.015	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	128	-176.4	-55.4	174.3	0	0	0	108.6	L318 P400 V401 I402 L403 L430 L447	L318-I452 HydrophobicContact CD2-CD1 4.49Å; P400-I452 HydrophobicContact CB-CD1 4.24Å; V401-I452 PolarHBondContact O-N 2.81Å; I402-I452 CarbonylContact C-O 3.53Å; I402-I452 WeakPolarHBondContact CA-O 3.03Å; I402-I452 HydrophobicContact CG1-CB 4.26Å; I402-I452 HydrophobicContact CG1-CD1 4.33Å; L403-I452 PolarHBondContact N-O 2.94Å; L430-I452 HydrophobicContact CD2-CG1 4.09Å; L447-I452 HydrophobicContact CD1-CD1 3.84Å
453	I	96.7	Very high	83	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	117.4	177	-55.5	-56.5	0	0	0	109.8	L403 I405 F421 L429 I451 H455 L933 V934	L403-I453 HydrophobicContact CB-CD1 4.01Å; L403-I453 HydrophobicContact CD1-CD1 3.77Å; L403-I453 HydrophobicContact CG-CD1 4.15Å; I405-I453 HydrophobicContact CG1-CG2 4.08Å; F421-I453 HydrophobicContact CD1-CD1 4.48Å; F421-I453 HydrophobicContact CE1-CD1 4.3Å; F421-I453 HydrophobicContact CE2-CD1 4.34Å; F421-I453 HydrophobicContact CZ-CD1 4.22Å; L429-I453 HydrophobicContact CD1-CD1 4.1Å; L429-I453 HydrophobicContact CD1-CG1 3.74Å; I451-I453 HydrophobicContact CG2-CD1 4.44Å; I453-H455 HydrophobicContact CG2-CB 3.98Å; I453-L933 HydrophobicContact CG1-CB 4.36Å; I453-V934 HydrophobicContact CG2-CG2 4.49Å
454	K	94.9	Very high	80.8	Confident	20 Å²	20	55.8 Å²	55.8	9%	0.087	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	109	163.6	170.3	-166.5	167.8	-89.5	0	107.9	I402 L403 S404 I405 C937 P939 I955 S957	I402-K454 HydrophobicContact CG2-CB 4.24Å; L403-K454 PolarHBondContact O-N 2.88Å; S404-K454 PolarHBondContact OG-NZ 3.1Å; I405-K454 PolarHBondContact N-O 2.79Å; K454-C937 HydrophobicContact CB-CB 3.85Å; K454-C937 HydrophobicContact CG-CB 4.28Å; K454-P939 HydrophobicContact CG-CG 4.31Å; K454-I955 HydrophobicContact CD-CD1 4.17Å; K454-I955 HydrophobicContact CD-CG2 4.36Å; K454-I955 HydrophobicContact CG-CG2 4.2Å; K454-S957 VanDerWaalsContact CE-OG 3.26Å; K454-S957 WeakPolarHBondContact CE-OG 3.5Å
455	H	89.3	Confident	78.4	Confident	4 Å²	4	59.6 Å²	59.6	2%	0.019	32%	0.315	C	S	.	.			trans	-152	163.8	174.4	-176.5	-98.5	0	0	0	110.4	I405 E407 I453 V934 P939	I405-H455 HydrophobicContact CB-CB 4.33Å; E407-H455 WeakPolarHBondContact CB-NE2 3.49Å; E407-H455 WeakPolarHBondContact CG-NE2 3.24Å; E407-H455 IonicContact OE2-NE2 3.26Å; I453-H455 HydrophobicContact CG2-CB 3.98Å; H455-V934 HydrophobicContact CB-CG2 3.72Å; H455-V934 WeakPolarHBondContact O-CG1 3.45Å; H455-V934 WeakPolarHBondContact O-CG2 3.48Å; H455-P939 WeakPolarHBondContact O-CD 3.49Å
456	K	82.6	Confident	76	Confident	90 Å²	90	60 Å²	60	39%	0.391	32%	0.318	S	S	.	.			trans	-58.1	139.5	174.6	-64.5	170.2	-174.2	158	0	110.3	I926	K456-I926 HydrophobicContact CB-CD1 3.49Å; K456-I926 VanDerWaalsContact CB-CD1 3.49Å; K456-I926 HydrophobicContact CD-CD1 4.15Å; K456-I926 HydrophobicContact CG-CD1 4.46Å
457	K	78.8	Confident	73.2	Confident	65 Å²	65	58 Å²	58	28%	0.283	31%	0.31	S	S	.	.			trans	-118.4	137.3	-178.6	-166.3	177.5	-174.5	73.7	0	111.3	S931 V934 K938	K457-S931 PolarHBondContact NZ-O 3.34Å; K457-V934 HydrophobicContact CB-CB 4.33Å; K457-V934 HydrophobicContact CB-CG1 4.34Å; K457-V934 HydrophobicContact CD-CB 4.35Å; K457-V934 WeakPolarHBondContact CE-O 3.33Å; K457-V934 HydrophobicContact CG-CB 4.4Å; K457-V934 PolarHBondContact NZ-O 3.35Å; K457-K938 HydrophobicContact CD-CD 3.88Å; K457-K938 HydrophobicContact CD-CG 4.07Å
458	L	71.9	Confident	70.5	Confident	33 Å²	33	62.9 Å²	62.9	17%	0.173	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-74.9	140.2	173.9	-66.3	171.5	0	0	0	110.9	I464 I926 I928 S931	L458-I464 HydrophobicContact CD2-CG1 3.83Å; L458-I926 HydrophobicContact CD2-CB 4.19Å; L458-I926 HydrophobicContact CD2-CD1 4.43Å; L458-I926 HydrophobicContact CG-CB 4.41Å; L458-I926 HydrophobicContact CG-CG2 4.45Å; L458-I928 HydrophobicContact CD1-CB 4.46Å; L458-I928 HydrophobicContact CD1-CG1 3.7Å; L458-S931 PolarHBondContact N-OG 3.25Å
459	G	63	Low	67.6	Low	27 Å²	27	67 Å²	67	28%	0.278	36%	0.356	S	S	.	.			trans	-72.9	169.5	176	0	0	0	0	0	113.2	K461 G462 D463	G459-K461 PolarHBondContact O-N 3.21Å; G459-G462 PolarHBondContact O-N 2.76Å; G459-D463 PolarHBondContact N-O 3.01Å
460	P	52.3	Low	64.8	Low	147 Å²	147	67.1 Å²	67.1	96%	0.955	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-20	-176.9	-22.9	32.2	0	0	0	115.4
461	K	44.8	Very low	61.9	Low	185 Å²	185	69.5 Å²	69.5	80%	0.804	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	4	179.2	-65.3	-175.8	-179.9	178.4	0	113.7	G459 D463	G459-K461 PolarHBondContact O-N 3.21Å; K461-D463 PolarHBondContact O-N 2.91Å
462	G	47.6	Very low	59	Low	50 Å²	50	78.1 Å²	78.1	52%	0.515	41%	0.408	S	S	.	.	S	Bend	trans	79.5	1.2	-172.2	0	0	0	0	0	114.2	G459	G459-G462 PolarHBondContact O-N 2.76Å
463	D	51.5	Low	56.3	Low	111 Å²	111	84.9 Å²	84.9	59%	0.594	44%	0.44	S	S	*	.			trans	-73.6	141.6	174.4	-61.9	-37.6	0	0	0	110.7	G459 K461	G459-D463 PolarHBondContact N-O 3.01Å; K461-D463 PolarHBondContact O-N 2.91Å
464	I	50.9	Low	53.8	Low	54 Å²	54	89.1 Å²	89.1	28%	0.277	46%	0.459	S	S	.	.	B	Isolated β-bridge	trans	-85.1	119	177.8	-66.5	160.4	0	0	0	107.9	L458 V466 L925	L458-I464 HydrophobicContact CD2-CG1 3.83Å; I464-V466 HydrophobicContact CG2-CB 3.54Å; I464-V466 HydrophobicContact CG2-CG2 3.1Å; I464-V466 PolarHBondContact O-N 3.31Å; I464-L925 HydrophobicContact CD1-CB 3.65Å; I464-L925 HydrophobicContact CD1-CD1 3.48Å; I464-L925 VanDerWaalsContact CD1-CD1 3.48Å; I464-L925 HydrophobicContact CD1-CG 4.09Å
465	D	45.7	Very low	51.3	Low	80 Å²	80	97.9 Å²	97.9	43%	0.428	50%	0.498	S	S	.	.			trans	-81.8	54.1	176.9	-155.8	29.5	0	0	0	111.7	S941 K942	D465-S941 PolarHBondContact O-OG 3.17Å; D465-K942 WeakPolarHBondContact OD1-CD 3.3Å; D465-K942 WeakPolarHBondContact OD1-CE 3.27Å; D465-K942 IonicContact OD1-NZ 2.81Å; D465-K942 PolarHBondContact OD1-NZ 2.81Å
466	V	45.7	Very low	49.7	Very low	51 Å²	51	102.6 Å²	102.6	31%	0.309	52%	0.518	S	S	.	.			trans	-121.8	128.3	-174.8	-162.9	0	0	0	0	110.7	I464 L468 S941	I464-V466 HydrophobicContact CG2-CB 3.54Å; I464-V466 HydrophobicContact CG2-CG2 3.1Å; I464-V466 PolarHBondContact O-N 3.31Å; V466-L468 PolarHBondContact O-N 2.98Å; V466-S941 WeakPolarHBondContact CA-OG 3.21Å
467	N	37.3	Very low	49	Very low	60 Å²	60	100.4 Å²	100.4	32%	0.321	51%	0.509	S	S	.	.			trans	-71	119.1	169.3	-153.6	4.8	0	0	0	108.7	E469 S941	N467-E469 PolarHBondContact O-N 2.86Å; N467-S941 PolarHBondContact N-OG 3.2Å
468	L	39.1	Very low	48.7	Very low	104 Å²	104	99.6 Å²	99.6	55%	0.545	51%	0.506	S	S	.	.	G	3₁₀ helix	trans	-70.9	-13.6	-179.8	-84.7	144.1	0	0	0	112.6	V466 D470 K471	V466-L468 PolarHBondContact O-N 2.98Å; L468-D470 PolarHBondContact O-N 2.72Å; L468-K471 PolarHBondContact O-N 3.4Å
469	E	36.8	Very low	48.8	Very low	159 Å²	159	98.7 Å²	98.7	74%	0.743	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-72.9	-21.8	-176.8	-64.8	-174.1	157.6	0	0	114	N467 K471	N467-E469 PolarHBondContact O-N 2.86Å; E469-K471 PolarHBondContact O-N 3.4Å
470	D	37.4	Very low	49.7	Very low	106 Å²	106	98.5 Å²	98.5	57%	0.567	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-76.9	-4.1	176	-80.4	-10.7	0	0	0	112.8	L468 K472 K944	L468-D470 PolarHBondContact O-N 2.72Å; D470-K472 VanDerWaalsContact C-N 3.34Å; D470-K472 PolarHBondContact O-N 3.23Å; D470-K944 IonicContact OD2-NZ 3.91Å; D470-K944 PolarHBondContact OD2-NZ 3.34Å
471	K	36.7	Very low	51.2	Low	109 Å²	109	91.5 Å²	91.5	47%	0.474	45%	0.451	S	S	.	.			trans	-90.2	38.7	-179.9	-75.5	-166	172.9	-168.5	0	114.2	L468 E469 E473	L468-K471 PolarHBondContact O-N 3.4Å; E469-K471 PolarHBondContact O-N 3.4Å; K471-E473 PolarHBondContact O-N 2.94Å
472	K	37.8	Very low	53.2	Low	181 Å²	181	83.4 Å²	83.4	79%	0.787	42%	0.416	S	S	*	.			trans	-79.8	68	155.4	-81.1	-171	178	-176.9	0	108.7	D470 E474	D470-K472 VanDerWaalsContact C-N 3.34Å; D470-K472 PolarHBondContact O-N 3.23Å; K472-E474 PolarHBondContact O-N 3.15Å
473	E	40.5	Very low	55.1	Low	145 Å²	145	82.4 Å²	82.4	68%	0.678	40%	0.398	S	S	*	.			trans	-69.3	92.7	153.1	-83.2	-178.3	-178.2	0	0	106	K471 K475	K471-E473 PolarHBondContact O-N 2.94Å; E473-K475 PolarHBondContact O-N 3.02Å
474	E	44.4	Very low	56.6	Low	90 Å²	90	78.6 Å²	78.6	42%	0.421	38%	0.376	S	S	.	.			trans	-55.4	124.7	160.4	-72	-179.5	178.3	0	0	106.8	K472 K476	K472-E474 PolarHBondContact O-N 3.15Å; E474-K476 PolarHBondContact O-N 3.12Å
475	K	43.1	Very low	57.5	Low	205 Å²	205	77.3 Å²	77.3	89%	0.891	37%	0.369	S	S	*	.			trans	-58.9	93.5	168	-88.9	-175.2	171.1	-174.5	0	107.3	E473 Q477	E473-K475 PolarHBondContact O-N 3.02Å; K475-Q477 PolarHBondContact O-N 2.92Å; K475-Q477 VanDerWaalsContact O-N 3.09Å
476	K	56.1	Low	58.1	Low	103 Å²	103	78.3 Å²	78.3	45%	0.448	38%	0.378	S	S	.	.			trans	-76.3	96.4	172.8	-70.2	-176.9	-179.9	-177.5	0	106.8	E474 Q478	E474-K476 PolarHBondContact O-N 3.12Å; K476-Q478 PolarHBondContact O-N 3.49Å
477	Q	67.3	Low	58.3	Low	43 Å²	43	78.6 Å²	78.6	20%	0.201	38%	0.377	C	S	.	.			trans	-71	110.6	168.2	-178.1	155.3	27.5	0	0	107.9	K475 A497 I498 E898 W899 G902	K475-Q477 PolarHBondContact O-N 2.92Å; K475-Q477 VanDerWaalsContact O-N 3.09Å; Q477-A497 CarbonylContact O-C 3.49Å; Q477-I498 HydrophobicContact CB-CB 4.37Å; Q477-I498 HydrophobicContact CB-CD1 4.13Å; Q477-I498 HydrophobicContact CB-CG1 4.37Å; Q477-I498 HydrophobicContact CG-CD1 4.34Å; Q477-I498 PolarHBondContact O-N 2.92Å; Q477-E898 PolarHBondContact NE2-O 2.78Å; Q477-W899 HydrophobicContact CG-CD2 4.11Å; Q477-W899 HydrophobicContact CG-CE3 3.95Å; Q477-W899 HydrophobicContact CG-CH2 4.19Å; Q477-W899 HydrophobicContact CG-CZ2 4.33Å; Q477-W899 HydrophobicContact CG-CZ3 4.02Å; Q477-G902 VanDerWaalsContact OE1-CA 3.25Å
478	Q	73.3	Confident	59.2	Low	48 Å²	48	79.3 Å²	79.3	22%	0.224	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	149.1	-176	63.7	-176.8	-3.6	0	0	110.7	W374 K476 Y495 C496 A497	W374-Q478 VanDerWaalsContact C-NE2 3.3Å; W374-Q478 WeakPolarHBondContact O-CG 3.2Å; W374-Q478 PolarHBondContact O-NE2 2.86Å; K476-Q478 PolarHBondContact O-N 3.49Å; Q478-Y495 HydrophobicContact CB-CE1 4.4Å; Q478-Y495 PolarHBondContact OE1-OH 2.84Å; Q478-C496 CarbonylContact C-O 3.57Å; Q478-C496 VanDerWaalsContact CA-O 3.24Å; Q478-C496 WeakPolarHBondContact CA-O 3.42Å; Q478-A497 HydrophobicContact CB-CB 3.98Å
479	G	73.9	Confident	60.6	Low	14 Å²	14	80.3 Å²	80.3	14%	0.144	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160.2	-179.4	-173.4	0	0	0	0	0	112.6	C496	G479-C496 PolarHBondContact N-O 2.94Å; G479-C496 PolarHBondContact O-N 3.41Å; G479-C496 VanDerWaalsContact O-O 3.13Å
480	E	81.7	Confident	62.6	Low	23 Å²	23	76.7 Å²	76.7	11%	0.107	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	132.7	-179.1	-68.9	178.2	-178	0	0	111.2	R376 R493 H494 Y495 I509	R376-E480 WeakPolarHBondContact CD-OE1 3.48Å; R376-E480 IonicContact CZ-OE1 2.71Å; R376-E480 VanDerWaalsContact CZ-OE1 3.3Å; R376-E480 IonicContact CZ-OE2 3.11Å; R376-E480 IonicContact NE-OE1 2.86Å; R376-E480 IonicContact NE-OE2 3.34Å; R376-E480 IonicContact NH1-OE1 2.72Å; R376-E480 PolarHBondContact NH1-OE1 3.22Å; R376-E480 IonicContact NH1-OE2 3.15Å; R376-E480 PolarHBondContact NH1-OE2 2.89Å; R376-E480 IonicContact NH2-OE2 3.97Å; R376-E480 PolarHBondContact NH2-OE2 2.95Å; E480-R493 HydrophobicContact CB-CG 4.49Å; E480-R493 WeakPolarHBondContact OE2-CD 3.48Å; E480-R493 IonicContact OE2-NH1 2.72Å; E480-R493 PolarHBondContact OE2-NH1 3.49Å; E480-H494 VanDerWaalsContact CA-O 3.31Å; E480-H494 WeakPolarHBondContact CA-O 3.42Å; E480-Y495 HydrophobicContact CG-CD2 4.16Å; E480-I509 HydrophobicContact CG-CD1 3.65Å; E480-I509 WeakPolarHBondContact OE1-CD1 3.48Å
481	L	84.6	Confident	64.7	Low	0 Å²	0	73 Å²	73	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	139.3	169	-64.6	175.3	0	0	0	107.9	H494 C496 F874 F888 T890 W899	L481-H494 PolarHBondContact N-O 3.31Å; L481-H494 PolarHBondContact O-N 3.13Å; L481-H494 VanDerWaalsContact O-O 3.14Å; L481-C496 HydrophobicContact CD1-CB 3.96Å; L481-C496 HydrophobicContact CG-CB 4.32Å; L481-F874 HydrophobicContact CD1-CE1 4.28Å; L481-F874 HydrophobicContact CD1-CZ 3.79Å; L481-F874 HydrophobicContact CD2-CE1 3.94Å; L481-F874 HydrophobicContact CD2-CZ 4.3Å; L481-F888 HydrophobicContact CB-CD1 3.73Å; L481-F888 HydrophobicContact CB-CE1 4.45Å; L481-F888 HydrophobicContact CD1-CB 4.36Å; L481-F888 HydrophobicContact CD1-CD1 3.74Å; L481-F888 HydrophobicContact CD1-CE1 4.23Å; L481-F888 HydrophobicContact CD1-CG 4.1Å; L481-F888 HydrophobicContact CG-CD1 4.36Å; L481-T890 HydrophobicContact CD2-CG2 3.52Å; L481-W899 HydrophobicContact CD1-CD2 3.92Å; L481-W899 HydrophobicContact CD1-CE3 3.89Å; L481-W899 HydrophobicContact CD1-CH2 4.19Å; L481-W899 HydrophobicContact CD1-CZ2 4.21Å; L481-W899 HydrophobicContact CD1-CZ3 4.01Å; L481-W899 HydrophobicContact CD2-CD2 4.03Å; L481-W899 HydrophobicContact CD2-CG 3.91Å; L481-W899 HydrophobicContact CG-CD2 4.24Å; L481-W899 HydrophobicContact CG-CZ2 4.19Å
482	Y	86.6	Confident	66.7	Low	16 Å²	16	68 Å²	68	6%	0.063	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	126.1	164	-62.3	-92.7	0	0	0	107.3	W491 T492 R493 K870 F888 A889 D891	Y482-W491 HydrophobicContact CD1-CB 4.02Å; Y482-W491 HydrophobicContact CG-CB 4.36Å; Y482-W491 WeakPolarHBondContact O-CZ3 3.17Å; Y482-T492 CarbonylContact C-O 3.6Å; Y482-T492 VanDerWaalsContact CA-O 3.24Å; Y482-T492 WeakPolarHBondContact CA-O 3.31Å; Y482-R493 HydrophobicContact CD1-CB 4.15Å; Y482-R493 HydrophobicContact CD1-CG 4.35Å; Y482-R493 HydrophobicContact CE1-CB 4.18Å; Y482-R493 HydrophobicContact CE1-CG 4.17Å; Y482-R493 PolarHBondContact OH-NH2 3.3Å; Y482-K870 VanDerWaalsContact CZ-NZ 3.34Å; Y482-F888 CarbonylContact O-C 3.48Å; Y482-F888 WeakPolarHBondContact O-CA 3.38Å; Y482-A889 PolarHBondContact N-O 3.18Å; Y482-A889 PolarHBondContact O-N 3.46Å; Y482-D891 VanDerWaalsContact CE2-CG 3.46Å; Y482-D891 WeakPolarHBondContact CE2-OD1 3.47Å; Y482-D891 WeakPolarHBondContact CE2-OD2 2.83Å; Y482-D891 PolarHBondContact OH-OD1 3.49Å; Y482-D891 PolarHBondContact OH-OD2 3.19Å
483	M	85.9	Confident	68.8	Low	29 Å²	29	61.7 Å²	61.7	14%	0.143	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	137.1	170.8	-164.3	168.1	58.5	0	0	107.5	D485 T492 H494 F505 V886 E887 F888	M483-D485 PolarHBondContact O-N 2.83Å; M483-T492 PolarHBondContact N-O 2.81Å; M483-T492 PolarHBondContact O-N 2.83Å; M483-T492 PolarHBondContact O-OG1 2.94Å; M483-H494 VanDerWaalsContact CB-CD2 3.5Å; M483-H494 WeakPolarHBondContact CB-CD2 3.06Å; M483-F505 HydrophobicContact CE-CD2 3.98Å; M483-F505 HydrophobicContact CE-CE2 3.73Å; M483-F505 HydrophobicContact CE-CZ 4.34Å; M483-F505 HydrophobicContact SD-CD2 4.38Å; M483-F505 HydrophobicContact SD-CE2 4.23Å; M483-F505 HydrophobicContact SD-CZ 4.38Å; M483-V886 HydrophobicContact CG-CG1 4.11Å; M483-V886 HydrophobicContact SD-CG1 3.92Å; M483-E887 WeakPolarHBondContact CA-O 3.18Å; M483-F888 HydrophobicContact CB-CD1 4.38Å; M483-F888 HydrophobicContact CB-CE1 4.29Å; M483-F888 HydrophobicContact CG-CD1 4.39Å; M483-F888 HydrophobicContact CG-CE1 4.05Å; M483-F888 HydrophobicContact SD-CE1 4.05Å; M483-F888 HydrophobicContact SD-CZ 4.27Å
484	W	83.4	Confident	70.6	Confident	31 Å²	31	55 Å²	55	12%	0.117	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	114.8	176	-179.1	-112.3	0	0	0	108.9	T486 Q489 W491 H868 E887	W484-T486 PolarHBondContact O-N 2.81Å; W484-Q489 HydrophobicContact CH2-CB 4.3Å; W484-Q489 WeakPolarHBondContact CH2-O 3.45Å; W484-Q489 HydrophobicContact CZ2-CB 4.15Å; W484-W491 HydrophobicContact CB-CE3 4.06Å; W484-W491 HydrophobicContact CB-CH2 3.94Å; W484-W491 HydrophobicContact CB-CZ2 4.48Å; W484-W491 HydrophobicContact CB-CZ3 3.72Å; W484-W491 AromaticContact CE3-CD1 3.89Å; W484-W491 AromaticContact CE3-CD2 3.8Å; W484-W491 HydrophobicContact CE3-CD2 3.8Å; W484-W491 AromaticContact CE3-CE2 3.64Å; W484-W491 HydrophobicContact CE3-CE3 4.38Å; W484-W491 AromaticContact CE3-CG 3.98Å; W484-W491 HydrophobicContact CE3-CG 3.98Å; W484-W491 HydrophobicContact CE3-CZ2 4.12Å; W484-W491 AromaticContact CE3-NE1 3.69Å; W484-W491 AromaticContact CZ3-CD1 3.84Å; W484-W491 HydrophobicContact CZ3-CG 4.31Å; W484-W491 AromaticContact CZ3-NE1 3.77Å; W484-W491 VanDerWaalsContact N-CZ3 3.32Å; W484-H868 HydrophobicContact CD2-CB 4.36Å; W484-H868 AromaticContact CD2-CD2 3.75Å; W484-H868 AromaticContact CD2-CG 3.99Å; W484-H868 AromaticContact CE2-CD2 3.7Å; W484-H868 AromaticContact CE2-CE1 3.88Å; W484-H868 AromaticContact CE2-CG 3.84Å; W484-H868 AromaticContact CE2-ND1 3.94Å; W484-H868 AromaticContact CE2-NE2 3.8Å; W484-H868 HydrophobicContact CE3-CB 3.77Å; W484-H868 AromaticContact CE3-CG 3.9Å; W484-H868 HydrophobicContact CH2-CB 3.6Å; W484-H868 AromaticContact CH2-CG 3.51Å; W484-H868 AromaticContact CH2-ND1 3.5Å; W484-H868 HydrophobicContact CZ2-CB 4.21Å; W484-H868 AromaticContact CZ2-CD2 3.93Å; W484-H868 AromaticContact CZ2-CE1 3.62Å; W484-H868 AromaticContact CZ2-CG 3.6Å; W484-H868 AromaticContact CZ2-ND1 3.38Å; W484-H868 WeakPolarHBondContact CZ2-ND1 3.41Å; W484-H868 HydrophobicContact CZ3-CB 3.36Å; W484-H868 AromaticContact CZ3-CG 3.68Å; W484-H868 AromaticContact NE1-NE2 3.9Å; W484-E887 HydrophobicContact CB-CB 3.89Å; W484-E887 PolarHBondContact N-O 3.4Å
485	D	70.2	Confident	72.2	Confident	26 Å²	26	50.9 Å²	50.9	14%	0.139	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	105.6	170	-164.5	-41.2	0	0	0	108.2	M483 I487 E488 Q489 K490 T492	M483-D485 PolarHBondContact O-N 2.83Å; D485-I487 PolarHBondContact O-N 2.75Å; D485-I487 VanDerWaalsContact O-N 3.14Å; D485-I487 WeakPolarHBondContact OD1-CA 3.43Å; D485-I487 WeakPolarHBondContact OD1-CB 3.32Å; D485-I487 WeakPolarHBondContact OD1-CG1 3.41Å; D485-I487 PolarHBondContact OD1-N 3.39Å; D485-E488 HydrophobicContact CB-CB 4.44Å; D485-E488 PolarHBondContact OD1-N 2.81Å; D485-Q489 WeakPolarHBondContact O-CA 3.35Å; D485-Q489 PolarHBondContact O-N 2.91Å; D485-K490 WeakPolarHBondContact CB-O 3.41Å; D485-K490 PolarHBondContact N-O 2.89Å; D485-T492 HydrophobicContact CB-CG2 3.94Å
486	T	57.7	Low	74.1	Confident	101 Å²	101	41.1 Å²	41.1	62%	0.62	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-19	178.8	51.5	0	0	0	0	112.8	W484 Q489	W484-T486 PolarHBondContact O-N 2.81Å; T486-Q489 PolarHBondContact O-NE2 3.41Å; T486-Q489 VanDerWaalsContact O-NE2 3.08Å
487	I	51.3	Low	75.1	Confident	57 Å²	57	36.2 Å²	36.2	29%	0.292	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-52.4	-177.2	-51.9	174.1	0	0	0	111	D485 Q489 Y744	D485-I487 PolarHBondContact O-N 2.75Å; D485-I487 VanDerWaalsContact O-N 3.14Å; D485-I487 WeakPolarHBondContact OD1-CA 3.43Å; D485-I487 WeakPolarHBondContact OD1-CB 3.32Å; D485-I487 WeakPolarHBondContact OD1-CG1 3.41Å; D485-I487 PolarHBondContact OD1-N 3.39Å; I487-Q489 PolarHBondContact O-N 3.42Å; I487-Y744 HydrophobicContact CD1-CE1 4.34Å; I487-Y744 HydrophobicContact CG2-CE1 4.47Å; I487-Y744 WeakPolarHBondContact CG2-OH 3.16Å
488	E	55.7	Low	75.6	Confident	76 Å²	76	34.5 Å²	34.5	36%	0.355	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-6.2	-179.9	-67.9	-164.2	-161.3	0	0	112.7	D485 K490	D485-E488 HydrophobicContact CB-CB 4.44Å; D485-E488 PolarHBondContact OD1-N 2.81Å; E488-K490 HydrophobicContact CB-CB 4.38Å; E488-K490 HydrophobicContact CB-CD 3.95Å; E488-K490 HydrophobicContact CB-CG 3.76Å; E488-K490 PolarHBondContact O-N 2.63Å; E488-K490 WeakPolarHBondContact OE2-CD 3.5Å; E488-K490 WeakPolarHBondContact OE2-CE 3.43Å; E488-K490 IonicContact OE2-NZ 3.81Å; E488-K490 PolarHBondContact OE2-NZ 2.77Å
489	Q	67.5	Low	75.4	Confident	125 Å²	125	32.9 Å²	32.9	58%	0.584	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.1	39.4	-173.3	-65.8	-79.2	-45.9	0	0	110.5	W484 D485 T486 I487	W484-Q489 HydrophobicContact CH2-CB 4.3Å; W484-Q489 WeakPolarHBondContact CH2-O 3.45Å; W484-Q489 HydrophobicContact CZ2-CB 4.15Å; D485-Q489 WeakPolarHBondContact O-CA 3.35Å; D485-Q489 PolarHBondContact O-N 2.91Å; T486-Q489 PolarHBondContact O-NE2 3.41Å; T486-Q489 VanDerWaalsContact O-NE2 3.08Å; I487-Q489 PolarHBondContact O-N 3.42Å
490	K	79.3	Confident	75	Confident	82 Å²	82	36.7 Å²	36.7	36%	0.357	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	155.7	-177.9	88.8	-177.8	-166.8	-167.2	0	110.2	D485 E488 T492	D485-K490 WeakPolarHBondContact CB-O 3.41Å; D485-K490 PolarHBondContact N-O 2.89Å; E488-K490 HydrophobicContact CB-CB 4.38Å; E488-K490 HydrophobicContact CB-CD 3.95Å; E488-K490 HydrophobicContact CB-CG 3.76Å; E488-K490 PolarHBondContact O-N 2.63Å; E488-K490 WeakPolarHBondContact OE2-CD 3.5Å; E488-K490 WeakPolarHBondContact OE2-CE 3.43Å; E488-K490 IonicContact OE2-NZ 3.81Å; E488-K490 PolarHBondContact OE2-NZ 2.77Å; K490-T492 HydrophobicContact CG-CG2 4.18Å; K490-T492 PolarHBondContact O-N 3.13Å
491	W	81.3	Confident	74.5	Confident	29 Å²	29	40.2 Å²	40.2	11%	0.11	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	117.6	170.3	-71.7	102.6	0	0	0	109.4	Y482 W484 H868 K870 V873 E887 A889	Y482-W491 HydrophobicContact CD1-CB 4.02Å; Y482-W491 HydrophobicContact CG-CB 4.36Å; Y482-W491 WeakPolarHBondContact O-CZ3 3.17Å; W484-W491 HydrophobicContact CB-CE3 4.06Å; W484-W491 HydrophobicContact CB-CH2 3.94Å; W484-W491 HydrophobicContact CB-CZ2 4.48Å; W484-W491 HydrophobicContact CB-CZ3 3.72Å; W484-W491 AromaticContact CE3-CD1 3.89Å; W484-W491 AromaticContact CE3-CD2 3.8Å; W484-W491 HydrophobicContact CE3-CD2 3.8Å; W484-W491 AromaticContact CE3-CE2 3.64Å; W484-W491 HydrophobicContact CE3-CE3 4.38Å; W484-W491 AromaticContact CE3-CG 3.98Å; W484-W491 HydrophobicContact CE3-CG 3.98Å; W484-W491 HydrophobicContact CE3-CZ2 4.12Å; W484-W491 AromaticContact CE3-NE1 3.69Å; W484-W491 AromaticContact CZ3-CD1 3.84Å; W484-W491 HydrophobicContact CZ3-CG 4.31Å; W484-W491 AromaticContact CZ3-NE1 3.77Å; W484-W491 VanDerWaalsContact N-CZ3 3.32Å; W491-H868 HydrophobicContact CZ2-CB 4.12Å; W491-H868 PolarHBondContact NE1-O 2.9Å; W491-K870 HydrophobicContact CD2-CG 4.11Å; W491-K870 HydrophobicContact CG-CG 3.96Å; W491-K870 HydrophobicContact CZ2-CB 4.29Å; W491-V873 HydrophobicContact CH2-CG1 4.06Å; W491-V873 HydrophobicContact CH2-CG2 4.28Å; W491-V873 HydrophobicContact CZ2-CG2 4.1Å; W491-E887 HydrophobicContact CH2-CB 4.23Å; W491-A889 HydrophobicContact CD2-CB 4.21Å; W491-A889 HydrophobicContact CE3-CB 3.89Å; W491-A889 HydrophobicContact CH2-CB 3.67Å; W491-A889 HydrophobicContact CZ2-CB 3.98Å; W491-A889 HydrophobicContact CZ3-CB 3.61Å
492	T	78.6	Confident	74	Confident	4 Å²	4	44.5 Å²	44.5	3%	0.025	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	144.8	170.8	47.4	0	0	0	0	108.9	Y482 M483 D485 K490 H494	Y482-T492 CarbonylContact C-O 3.6Å; Y482-T492 VanDerWaalsContact CA-O 3.24Å; Y482-T492 WeakPolarHBondContact CA-O 3.31Å; M483-T492 PolarHBondContact N-O 2.81Å; M483-T492 PolarHBondContact O-N 2.83Å; M483-T492 PolarHBondContact O-OG1 2.94Å; D485-T492 HydrophobicContact CB-CG2 3.94Å; K490-T492 HydrophobicContact CG-CG2 4.18Å; K490-T492 PolarHBondContact O-N 3.13Å; T492-H494 WeakPolarHBondContact CB-NE2 3.38Å; T492-H494 PolarHBondContact O-CD2 3.28Å; T492-H494 VanDerWaalsContact O-CD2 3.31Å; T492-H494 PolarHBondContact OG1-NE2 3.4Å
493	R	81.6	Confident	73.7	Confident	49 Å²	49	43.8 Å²	43.8	19%	0.185	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	123.9	-170.9	-168.1	-169.1	-68.3	-125.4	3.1	108.5	E480 Y482 D508 I509 E510	E480-R493 HydrophobicContact CB-CG 4.49Å; E480-R493 WeakPolarHBondContact OE2-CD 3.48Å; E480-R493 IonicContact OE2-NH1 2.72Å; E480-R493 PolarHBondContact OE2-NH1 3.49Å; Y482-R493 HydrophobicContact CD1-CB 4.15Å; Y482-R493 HydrophobicContact CD1-CG 4.35Å; Y482-R493 HydrophobicContact CE1-CB 4.18Å; Y482-R493 HydrophobicContact CE1-CG 4.17Å; Y482-R493 PolarHBondContact OH-NH2 3.3Å; R493-D508 PolarHBondContact N-OD1 3.33Å; R493-D508 CarbonylContact O-C 3.56Å; R493-D508 VanDerWaalsContact O-CA 3.24Å; R493-D508 WeakPolarHBondContact O-CA 3.34Å; R493-I509 HydrophobicContact CB-CB 4.19Å; R493-I509 HydrophobicContact CG-CB 4.27Å; R493-I509 HydrophobicContact CG-CD1 4.16Å; R493-I509 VanDerWaalsContact O-CG1 3.24Å; R493-I509 WeakPolarHBondContact O-CG1 3.39Å; R493-I509 PolarHBondContact O-N 2.89Å; R493-E510 HydrophobicContact CB-CG 4.13Å; R493-E510 IonicContact CZ-OE1 3.76Å; R493-E510 IonicContact NE-OE1 3.46Å; R493-E510 PolarHBondContact NE-OE1 3.01Å; R493-E510 IonicContact NH2-OE1 2.86Å; R493-E510 PolarHBondContact NH2-OE1 2.94Å
494	H	79.3	Confident	73.5	Confident	5 Å²	5	42.5 Å²	42.5	2%	0.023	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	148.4	-176.9	-65.1	-91.2	0	0	0	110.8	E480 L481 M483 T492 F505 S506	E480-H494 VanDerWaalsContact CA-O 3.31Å; E480-H494 WeakPolarHBondContact CA-O 3.42Å; L481-H494 PolarHBondContact N-O 3.31Å; L481-H494 PolarHBondContact O-N 3.13Å; L481-H494 VanDerWaalsContact O-O 3.14Å; M483-H494 VanDerWaalsContact CB-CD2 3.5Å; M483-H494 WeakPolarHBondContact CB-CD2 3.06Å; T492-H494 WeakPolarHBondContact CB-NE2 3.38Å; T492-H494 PolarHBondContact O-CD2 3.28Å; T492-H494 VanDerWaalsContact O-CD2 3.31Å; T492-H494 PolarHBondContact OG1-NE2 3.4Å; H494-F505 HydrophobicContact CB-CB 4.48Å; H494-S506 PolarHBondContact ND1-O 3.38Å
495	Y	78.6	Confident	73.2	Confident	2 Å²	2	42.1 Å²	42.1	1%	0.008	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	119.9	171.3	-170.5	-91.7	0	0	0	108.3	L336 R376 Q478 E480 F505 S506 L845	L336-Y495 HydrophobicContact CD1-CD1 4.12Å; L336-Y495 HydrophobicContact CD1-CE1 3.92Å; L336-Y495 HydrophobicContact CD2-CE1 4.09Å; R376-Y495 HydrophobicContact CG-CE2 4.35Å; Q478-Y495 HydrophobicContact CB-CE1 4.4Å; Q478-Y495 PolarHBondContact OE1-OH 2.84Å; E480-Y495 HydrophobicContact CG-CD2 4.16Å; Y495-F505 CarbonylContact O-C 3.47Å; Y495-F505 VanDerWaalsContact O-CA 3.3Å; Y495-F505 WeakPolarHBondContact O-CA 3.13Å; Y495-S506 PolarHBondContact N-OG 2.74Å; Y495-S506 PolarHBondContact O-N 3.17Å; Y495-L845 HydrophobicContact CD1-CD2 3.63Å; Y495-L845 HydrophobicContact CE1-CD2 3.88Å
496	C	82.3	Confident	73.3	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	142.4	-175.7	-60.6	0	0	0	0	109.4	Q478 G479 L481 L503 S504 W899	Q478-C496 CarbonylContact C-O 3.57Å; Q478-C496 VanDerWaalsContact CA-O 3.24Å; Q478-C496 WeakPolarHBondContact CA-O 3.42Å; G479-C496 PolarHBondContact N-O 2.94Å; G479-C496 PolarHBondContact O-N 3.41Å; G479-C496 VanDerWaalsContact O-O 3.13Å; L481-C496 HydrophobicContact CD1-CB 3.96Å; L481-C496 HydrophobicContact CG-CB 4.32Å; C496-L503 HydrophobicContact CB-CD2 4.15Å; C496-L503 HydrophobicContact CB-CG 4.49Å; C496-S504 CarbonylContact C-O 3.4Å; C496-S504 VanDerWaalsContact CA-O 3.22Å; C496-S504 WeakPolarHBondContact CA-O 3.4Å; C496-W899 HydrophobicContact CB-CH2 3.7Å; C496-W899 HydrophobicContact CB-CZ2 4.28Å; C496-W899 HydrophobicContact CB-CZ3 4.31Å
497	A	77.6	Confident	73.9	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	135.8	175.1	0	0	0	0	0	109.9	Q477 Q478 L503 S504 P844 L845	Q477-A497 CarbonylContact O-C 3.49Å; Q478-A497 HydrophobicContact CB-CB 3.98Å; A497-L503 WeakPolarHBondContact O-CA 3.48Å; A497-S504 PolarHBondContact N-O 2.93Å; A497-S504 PolarHBondContact O-N 3.02Å; A497-P844 HydrophobicContact CB-CB 4.27Å; A497-P844 HydrophobicContact CB-CG 4.12Å; A497-L845 HydrophobicContact CB-CD2 3.96Å; A497-L845 HydrophobicContact CB-CG 4.3Å
498	I	77.4	Confident	75.1	Confident	7 Å²	7	39.1 Å²	39.1	4%	0.036	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	125.4	174.7	-52.4	-179.3	0	0	0	109.4	Q477 K502 L503 L855 W899 I903 I906	Q477-I498 HydrophobicContact CB-CB 4.37Å; Q477-I498 HydrophobicContact CB-CD1 4.13Å; Q477-I498 HydrophobicContact CB-CG1 4.37Å; Q477-I498 HydrophobicContact CG-CD1 4.34Å; Q477-I498 PolarHBondContact O-N 2.92Å; I498-K502 VanDerWaalsContact CA-O 3.26Å; I498-K502 WeakPolarHBondContact CA-O 3.44Å; I498-L503 HydrophobicContact CD1-CD1 4.43Å; I498-L503 HydrophobicContact CG1-CB 4.23Å; I498-L503 HydrophobicContact CG1-CD1 4.3Å; I498-L503 HydrophobicContact CG1-CG 4.23Å; I498-L855 HydrophobicContact CD1-CD1 3.88Å; I498-L855 HydrophobicContact CG1-CD1 4.24Å; I498-L855 HydrophobicContact CG2-CD1 3.72Å; I498-W899 HydrophobicContact CD1-CE3 4.04Å; I498-W899 HydrophobicContact CD1-CZ3 3.68Å; I498-W899 HydrophobicContact CG1-CH2 4.47Å; I498-W899 HydrophobicContact CG1-CZ3 3.74Å; I498-I903 HydrophobicContact CD1-CD1 4.41Å; I498-I903 HydrophobicContact CD1-CG1 3.61Å; I498-I906 HydrophobicContact CD1-CD1 4.38Å; I498-I906 HydrophobicContact CG2-CD1 3.49Å; I498-I906 VanDerWaalsContact CG2-CD1 3.49Å
499	S	68.8	Low	75.5	Confident	14 Å²	14	36.9 Å²	36.9	10%	0.098	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	141.8	171.9	-163.7	0	0	0	0	108.2	E501 K502	S499-E501 VanDerWaalsContact C-N 3.28Å; S499-E501 PolarHBondContact O-N 3.4Å; S499-E501 VanDerWaalsContact O-N 3.14Å; S499-K502 PolarHBondContact N-O 3.16Å; S499-K502 WeakPolarHBondContact O-CB 3.17Å; S499-K502 PolarHBondContact O-N 2.99Å; S499-K502 VanDerWaalsContact O-O 3.08Å
500	D	66.1	Low	75	Confident	94 Å²	94	34.3 Å²	34.3	50%	0.503	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	45.2	175.5	-59.7	-63.7	0	0	0	114.8	K502	D500-K502 PolarHBondContact O-N 2.98Å; D500-K502 VanDerWaalsContact O-N 3.13Å
501	E	70.6	Confident	73.7	Confident	98 Å²	98	34 Å²	34	46%	0.458	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	16.6	179.7	-45.8	-180	159.1	0	0	114.4	S499 L855 N856 I906	S499-E501 VanDerWaalsContact C-N 3.28Å; S499-E501 PolarHBondContact O-N 3.4Å; S499-E501 VanDerWaalsContact O-N 3.14Å; E501-L855 WeakPolarHBondContact O-CB 3.29Å; E501-L855 PolarHBondContact O-N 3.25Å; E501-N856 PolarHBondContact OE2-ND2 3.4Å; E501-I906 HydrophobicContact CB-CG2 3.84Å; E501-I906 HydrophobicContact CG-CG2 3.97Å
502	K	74.8	Confident	71.8	Confident	90 Å²	90	39.6 Å²	39.6	39%	0.391	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	138.4	176.5	-61.3	172.6	-172.9	172.1	0	110.5	I498 S499 D500 I852 L853 V854	I498-K502 VanDerWaalsContact CA-O 3.26Å; I498-K502 WeakPolarHBondContact CA-O 3.44Å; S499-K502 PolarHBondContact N-O 3.16Å; S499-K502 WeakPolarHBondContact O-CB 3.17Å; S499-K502 PolarHBondContact O-N 2.99Å; S499-K502 VanDerWaalsContact O-O 3.08Å; D500-K502 PolarHBondContact O-N 2.98Å; D500-K502 VanDerWaalsContact O-N 3.13Å; K502-I852 HydrophobicContact CB-CG2 3.76Å; K502-I852 HydrophobicContact CD-CG2 4.05Å; K502-I852 HydrophobicContact CG-CG2 4.19Å; K502-L853 CarbonylContact C-O 3.47Å; K502-L853 WeakPolarHBondContact CA-O 3.39Å; K502-V854 HydrophobicContact CG-CG2 4.33Å
503	L	80.9	Confident	69.6	Low	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	108.4	171.3	-176.1	158.4	0	0	0	109	C496 A497 I498 F505 I852 L853 L855 F888 W899 I903	C496-L503 HydrophobicContact CB-CD2 4.15Å; C496-L503 HydrophobicContact CB-CG 4.49Å; A497-L503 WeakPolarHBondContact O-CA 3.48Å; I498-L503 HydrophobicContact CD1-CD1 4.43Å; I498-L503 HydrophobicContact CG1-CB 4.23Å; I498-L503 HydrophobicContact CG1-CD1 4.3Å; I498-L503 HydrophobicContact CG1-CG 4.23Å; L503-F505 HydrophobicContact CD2-CD1 4.32Å; L503-I852 CarbonylContact O-C 3.6Å; L503-I852 WeakPolarHBondContact O-CA 3.39Å; L503-L853 HydrophobicContact CB-CB 4.42Å; L503-L853 HydrophobicContact CD2-CD1 4.38Å; L503-L853 PolarHBondContact N-O 2.88Å; L503-L853 PolarHBondContact O-N 2.76Å; L503-L855 HydrophobicContact CB-CD1 4.24Å; L503-L855 HydrophobicContact CB-CD2 3.72Å; L503-L855 HydrophobicContact CB-CG 4.04Å; L503-L855 HydrophobicContact CD1-CD2 4.2Å; L503-F888 HydrophobicContact CD2-CZ 4.21Å; L503-W899 HydrophobicContact CD1-CZ3 4.05Å; L503-I903 HydrophobicContact CD1-CD1 4.01Å
504	S	79.8	Confident	67.2	Low	3 Å²	3	50.9 Å²	50.9	2%	0.021	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	143.5	172.8	-60.3	0	0	0	0	110.2	C496 A497 N843 G851	C496-S504 CarbonylContact C-O 3.4Å; C496-S504 VanDerWaalsContact CA-O 3.22Å; C496-S504 WeakPolarHBondContact CA-O 3.4Å; A497-S504 PolarHBondContact N-O 2.93Å; A497-S504 PolarHBondContact O-N 3.02Å; S504-N843 PolarHBondContact OG-OD1 3.28Å; S504-N843 VanDerWaalsContact OG-OD1 3.12Å; S504-G851 CarbonylContact C-O 3.55Å; S504-G851 WeakPolarHBondContact CA-O 3.47Å
505	F	78.6	Confident	65	Low	23 Å²	23	59.7 Å²	59.7	10%	0.101	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	146.9	175.9	61.4	-90.4	0	0	0	113.1	M483 H494 Y495 L503 R850 G851 L853	M483-F505 HydrophobicContact CE-CD2 3.98Å; M483-F505 HydrophobicContact CE-CE2 3.73Å; M483-F505 HydrophobicContact CE-CZ 4.34Å; M483-F505 HydrophobicContact SD-CD2 4.38Å; M483-F505 HydrophobicContact SD-CE2 4.23Å; M483-F505 HydrophobicContact SD-CZ 4.38Å; H494-F505 HydrophobicContact CB-CB 4.48Å; Y495-F505 CarbonylContact O-C 3.47Å; Y495-F505 VanDerWaalsContact O-CA 3.3Å; Y495-F505 WeakPolarHBondContact O-CA 3.13Å; L503-F505 HydrophobicContact CD2-CD1 4.32Å; F505-R850 HydrophobicContact CD2-CB 4.49Å; F505-R850 HydrophobicContact CE2-CB 4.43Å; F505-R850 PolarHBondContact O-N 2.84Å; F505-G851 WeakPolarHBondContact CD1-O 3.29Å; F505-G851 PolarHBondContact N-O 3Å; F505-G851 PolarHBondContact O-N 2.89Å; F505-L853 HydrophobicContact CE1-CD2 4.49Å; F505-L853 HydrophobicContact CE1-CG 4.16Å
506	S	72.5	Confident	62.6	Low	5 Å²	5	66.2 Å²	66.2	4%	0.035	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-179.4	-179.6	76.1	0	0	0	0	113.7	R337 H494 Y495 L848	R337-S506 PolarHBondContact NH2-OG 3.09Å; H494-S506 PolarHBondContact ND1-O 3.38Å; Y495-S506 PolarHBondContact N-OG 2.74Å; Y495-S506 PolarHBondContact O-N 3.17Å; S506-L848 WeakPolarHBondContact CA-O 3.46Å
507	D	70.4	Confident	60.1	Low	93 Å²	93	71.9 Å²	71.9	50%	0.497	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	166.8	161	-78	-40.8	0	0	0	113	R850	D507-R850 VanDerWaalsContact OD1-CD 3.23Å; D507-R850 WeakPolarHBondContact OD1-CD 3.18Å; D507-R850 IonicContact OD1-CZ 3.63Å; D507-R850 IonicContact OD1-NE 2.76Å; D507-R850 IonicContact OD1-NH1 3.56Å; D507-R850 PolarHBondContact OD1-NH1 2.84Å
508	D	74.8	Confident	58.1	Low	23 Å²	23	76.7 Å²	76.7	12%	0.123	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	132	-179.1	-177.1	17.5	0	0	0	112.3	R493 E510 Q511	R493-D508 PolarHBondContact N-OD1 3.33Å; R493-D508 CarbonylContact O-C 3.56Å; R493-D508 VanDerWaalsContact O-CA 3.24Å; R493-D508 WeakPolarHBondContact O-CA 3.34Å; D508-E510 PolarHBondContact OD1-N 3.19Å; D508-Q511 HydrophobicContact CB-CG 4.23Å; D508-Q511 WeakPolarHBondContact OD2-CG 3.41Å; D508-Q511 PolarHBondContact OD2-NE2 3.08Å
509	I	65.5	Low	56.2	Low	28 Å²	28	85.5 Å²	85.5	14%	0.144	45%	0.446	C	S	.	.	S	Bend	trans	-84.8	-33.8	-169.9	-58.9	-178.5	0	0	0	112.7	R337 E480 R493 Q511	R337-I509 VanDerWaalsContact NH2-CD1 3.33Å; R337-I509 VanDerWaalsContact NH2-CG1 3.32Å; E480-I509 HydrophobicContact CG-CD1 3.65Å; E480-I509 WeakPolarHBondContact OE1-CD1 3.48Å; R493-I509 HydrophobicContact CB-CB 4.19Å; R493-I509 HydrophobicContact CG-CB 4.27Å; R493-I509 HydrophobicContact CG-CD1 4.16Å; R493-I509 VanDerWaalsContact O-CG1 3.24Å; R493-I509 WeakPolarHBondContact O-CG1 3.39Å; R493-I509 PolarHBondContact O-N 2.89Å; I509-Q511 VanDerWaalsContact C-N 3.26Å; I509-Q511 PolarHBondContact O-N 3.3Å
510	E	56.3	Low	54.7	Low	72 Å²	72	94 Å²	94	34%	0.336	48%	0.484	S	S	.	.	G	3₁₀ helix	trans	-76.4	-9.7	-169.1	-73.4	-177	177.6	0	0	114.3	R493 D508 N512 T513	R493-E510 HydrophobicContact CB-CG 4.13Å; R493-E510 IonicContact CZ-OE1 3.76Å; R493-E510 IonicContact NE-OE1 3.46Å; R493-E510 PolarHBondContact NE-OE1 3.01Å; R493-E510 IonicContact NH2-OE1 2.86Å; R493-E510 PolarHBondContact NH2-OE1 2.94Å; D508-E510 PolarHBondContact OD1-N 3.19Å; E510-N512 PolarHBondContact O-N 3.17Å; E510-T513 PolarHBondContact O-N 3.5Å
511	Q	52.1	Low	53.8	Low	74 Å²	74	92 Å²	92	35%	0.346	48%	0.476	S	S	.	.	G	3₁₀ helix	trans	-75	2	-170.5	-60	-177.2	-3.8	0	0	115.3	D508 I509	D508-Q511 HydrophobicContact CB-CG 4.23Å; D508-Q511 WeakPolarHBondContact OD2-CG 3.41Å; D508-Q511 PolarHBondContact OD2-NE2 3.08Å; I509-Q511 VanDerWaalsContact C-N 3.26Å; I509-Q511 PolarHBondContact O-N 3.3Å
512	N	40.7	Very low	53	Low	147 Å²	147	94.6 Å²	94.6	79%	0.786	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-108.1	-0.4	179.5	-81.9	-22.8	0	0	0	114.8	E510	E510-N512 PolarHBondContact O-N 3.17Å
513	T	34.2	Very low	52.2	Low	115 Å²	115	99.5 Å²	99.5	71%	0.706	50%	0.501	S	S	*	.			trans	-127.8	13.9	-170.2	28.1	0	0	0	0	116.3	E510 E515	E510-T513 PolarHBondContact O-N 3.5Å; T513-E515 PolarHBondContact O-N 3.03Å
514	E	30.4	Very low	51.2	Low	176 Å²	176	103.1 Å²	103.1	82%	0.822	52%	0.523	S	S	*	.			trans	-80	88.4	175.6	-67.5	-168.2	174.6	0	0	111.5
515	E	32.3	Very low	50.7	Low	189 Å²	189	107.4 Å²	107.4	88%	0.883	54%	0.543	S	S	*	.			trans	-67.5	130.6	150.1	-79	-173.9	160.9	0	0	108.8	T513 S517	T513-E515 PolarHBondContact O-N 3.03Å; E515-S517 PolarHBondContact O-N 3.15Å; E515-S517 VanDerWaalsContact O-N 3.07Å
516	D	29.8	Very low	50.4	Low	140 Å²	140	108.9 Å²	108.9	75%	0.749	55%	0.552	S	S	*	*			trans	-41	103.8	-177	-78.3	-54.4	0	0	0	114.2	S518	D516-S518 VanDerWaalsContact C-N 3.27Å; D516-S518 PolarHBondContact O-N 3.04Å; D516-S518 VanDerWaalsContact O-N 3.1Å
517	S	29	Very low	50.5	Low	118 Å²	118	109.5 Å²	109.5	83%	0.825	55%	0.554	S	S	*	*			trans	-79.2	83.1	154.2	68.5	0	0	0	0	108.3	E515 K519	E515-S517 PolarHBondContact O-N 3.15Å; E515-S517 VanDerWaalsContact O-N 3.07Å; S517-K519 PolarHBondContact O-N 3.34Å; S517-K519 VanDerWaalsContact O-N 3.08Å
518	S	34.6	Very low	50.7	Low	101 Å²	101	110 Å²	110	71%	0.706	56%	0.556	S	S	*	*			trans	-60	112.8	176	56.3	0	0	0	0	110	D516 E520	D516-S518 VanDerWaalsContact C-N 3.27Å; D516-S518 PolarHBondContact O-N 3.04Å; D516-S518 VanDerWaalsContact O-N 3.1Å; S518-E520 PolarHBondContact O-N 3.13Å
519	K	37.8	Very low	50.3	Low	192 Å²	192	116.3 Å²	116.3	84%	0.835	58%	0.582	S	S	*	*			trans	-54.6	122	162.4	-71.3	-179.3	179	176.5	0	107.9	S517 V521	S517-K519 PolarHBondContact O-N 3.34Å; S517-K519 VanDerWaalsContact O-N 3.08Å; K519-V521 PolarHBondContact O-N 3.39Å
520	E	36.8	Very low	51.1	Low	193 Å²	193	117.6 Å²	117.6	90%	0.902	59%	0.588	S	S	*	*			trans	-55.8	112.4	175.3	-80.2	-175.4	146.8	0	0	109.5	S518	S518-E520 PolarHBondContact O-N 3.13Å
521	V	47	Very low	52	Low	53 Å²	53	120.1 Å²	120.1	32%	0.321	60%	0.598	S	S	.	*			trans	-78.4	131.7	173.9	177.2	0	0	0	0	108.2	K519 R523 E525 K529	K519-V521 PolarHBondContact O-N 3.39Å; V521-R523 PolarHBondContact O-N 2.93Å; V521-E525 HydrophobicContact CG1-CB 3.92Å; V521-K529 VanDerWaalsContact CG2-NZ 3.28Å
522	K	54.7	Low	53.6	Low	151 Å²	151	116.7 Å²	116.7	66%	0.657	58%	0.582	S	S	*	*			trans	-56.1	137	175.9	-74	-178.4	179	178.5	0	109.9	T524 E525	K522-T524 PolarHBondContact O-N 2.7Å; K522-E525 PolarHBondContact O-N 3.07Å
523	R	57.2	Low	55.9	Low	194 Å²	194	110.5 Å²	110.5	73%	0.732	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-55.1	-27.1	-174.8	-141.3	176.2	-174.6	171.3	0.5	113.9	V521 E525 L526	V521-R523 PolarHBondContact O-N 2.93Å; R523-E525 VanDerWaalsContact C-N 3.32Å; R523-E525 PolarHBondContact O-N 3.19Å; R523-L526 HydrophobicContact CB-CD1 4.49Å; R523-L526 HydrophobicContact CG-CD1 3.8Å; R523-L526 WeakPolarHBondContact O-CD1 3.29Å; R523-L526 WeakPolarHBondContact O-CG 3.5Å
524	T	61.8	Low	58.3	Low	75 Å²	75	105.5 Å²	105.5	46%	0.46	52%	0.516	S	S	.	.	G	3₁₀ helix	trans	-70.4	-21.2	176.5	48	0	0	0	0	114	K522 H527	K522-T524 PolarHBondContact O-N 2.7Å; T524-H527 PolarHBondContact O-CE1 2.87Å; T524-H527 PolarHBondContact O-ND1 3.29Å; T524-H527 VanDerWaalsContact O-ND1 3.09Å
525	E	68	Low	60.8	Low	93 Å²	93	97.8 Å²	97.8	44%	0.435	48%	0.484	S	S	.	.	G	3₁₀ helix	trans	-104.4	3.8	-175.1	-70.8	173.8	-168.2	0	0	113.5	V521 K522 R523 H527 L528	V521-E525 HydrophobicContact CG1-CB 3.92Å; K522-E525 PolarHBondContact O-N 3.07Å; R523-E525 VanDerWaalsContact C-N 3.32Å; R523-E525 PolarHBondContact O-N 3.19Å; E525-H527 PolarHBondContact O-N 2.87Å; E525-L528 HydrophobicContact CB-CD1 4.08Å; E525-L528 HydrophobicContact CG-CD1 4.16Å; E525-L528 WeakPolarHBondContact O-CB 3.23Å; E525-L528 PolarHBondContact O-N 2.95Å
526	L	72.5	Confident	63.2	Low	54 Å²	54	97.2 Å²	97.2	28%	0.283	48%	0.479	S	S	.	.	G	3₁₀ helix	trans	-56.6	-35.5	-177.7	-71.5	171.6	0	0	0	113	R523 L528 K529 Y612	R523-L526 HydrophobicContact CB-CD1 4.49Å; R523-L526 HydrophobicContact CG-CD1 3.8Å; R523-L526 WeakPolarHBondContact O-CD1 3.29Å; R523-L526 WeakPolarHBondContact O-CG 3.5Å; L526-L528 PolarHBondContact O-N 2.82Å; L526-K529 PolarHBondContact O-N 2.94Å; L526-Y612 HydrophobicContact CB-CD2 4.22Å; L526-Y612 HydrophobicContact CB-CG 4.06Å; L526-Y612 HydrophobicContact CD1-CD1 4.38Å
527	H	75.4	Confident	65.6	Low	19 Å²	19	91.8 Å²	91.8	9%	0.088	45%	0.449	C	S	.	.	G	3₁₀ helix	trans	-65.1	-22.6	179.7	66.4	-83.1	0	0	0	113.7	T524 E525 K529 E530 W532 F533 I611	T524-H527 PolarHBondContact O-CE1 2.87Å; T524-H527 PolarHBondContact O-ND1 3.29Å; T524-H527 VanDerWaalsContact O-ND1 3.09Å; E525-H527 PolarHBondContact O-N 2.87Å; H527-K529 PolarHBondContact O-N 2.88Å; H527-E530 WeakPolarHBondContact O-CB 3.48Å; H527-E530 PolarHBondContact O-N 3.42Å; H527-E530 VanDerWaalsContact O-N 3.16Å; H527-W532 HydrophobicContact CB-CH2 3.66Å; H527-W532 HydrophobicContact CB-CZ2 4.43Å; H527-W532 HydrophobicContact CB-CZ3 4.25Å; H527-F533 AromaticContact CD2-CD2 3.81Å; H527-F533 AromaticContact CD2-CE1 3.92Å; H527-F533 AromaticContact CD2-CE2 3.68Å; H527-F533 AromaticContact CD2-CG 3.99Å; H527-F533 AromaticContact CD2-CZ 3.73Å; H527-F533 AromaticContact NE2-CZ 3.99Å; H527-F533 WeakPolarHBondContact O-CB 3.4Å; H527-I611 HydrophobicContact CB-CB 4.2Å; H527-I611 HydrophobicContact CB-CG2 4.37Å
528	L	73.1	Confident	67.6	Low	104 Å²	104	95 Å²	95	55%	0.545	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-68.4	-20.5	178.4	-62.8	176.3	0	0	0	113	E525 L526 F533	E525-L528 HydrophobicContact CB-CD1 4.08Å; E525-L528 HydrophobicContact CG-CD1 4.16Å; E525-L528 WeakPolarHBondContact O-CB 3.23Å; E525-L528 PolarHBondContact O-N 2.95Å; L526-L528 PolarHBondContact O-N 2.82Å; L528-F533 HydrophobicContact CD2-CD1 4.05Å; L528-F533 HydrophobicContact CD2-CE1 3.56Å; L528-F533 HydrophobicContact CD2-CZ 4.37Å
529	K	68.3	Low	69.7	Low	154 Å²	154	96.5 Å²	96.5	67%	0.67	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-92.2	-5.7	176.3	-68	-173.2	173	-175.6	0	113.1	V521 L526 H527	V521-K529 VanDerWaalsContact CG2-NZ 3.28Å; L526-K529 PolarHBondContact O-N 2.94Å; H527-K529 PolarHBondContact O-N 2.88Å
530	E	80.3	Confident	71.5	Confident	56 Å²	56	87.4 Å²	87.4	26%	0.262	40%	0.404	S	S	.	.			trans	-86.3	136.9	-173.2	-69.4	-69.3	129.2	0	0	112.2	H527 W532 F533 Y612	H527-E530 WeakPolarHBondContact O-CB 3.48Å; H527-E530 PolarHBondContact O-N 3.42Å; H527-E530 VanDerWaalsContact O-N 3.16Å; E530-W532 HydrophobicContact CB-CD2 3.92Å; E530-W532 VanDerWaalsContact CB-CE2 3.4Å; E530-W532 HydrophobicContact CB-CG 4.25Å; E530-W532 HydrophobicContact CB-CH2 4.4Å; E530-W532 HydrophobicContact CB-CZ2 3.71Å; E530-W532 HydrophobicContact CG-CH2 4.44Å; E530-W532 HydrophobicContact CG-CZ2 3.58Å; E530-W532 PolarHBondContact O-N 2.86Å; E530-W532 VanDerWaalsContact O-N 3.17Å; E530-W532 PolarHBondContact OE2-NE1 2.93Å; E530-F533 PolarHBondContact O-N 3.24Å; E530-F533 VanDerWaalsContact O-N 3.08Å; E530-Y612 HydrophobicContact CG-CD2 3.79Å; E530-Y612 HydrophobicContact CG-CE2 4.01Å; E530-Y612 WeakPolarHBondContact OE1-CE2 3.28Å
531	K	76.3	Confident	73.8	Confident	124 Å²	124	84.4 Å²	84.4	54%	0.539	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-31.2	-178.5	-62.4	-170.9	177.9	-166.5	0	113.2	F533 P637 N638 E712	K531-F533 VanDerWaalsContact C-N 3.3Å; K531-F533 PolarHBondContact O-N 2.86Å; K531-P637 HydrophobicContact CB-CB 4.31Å; K531-P637 CarbonylContact O-C 3.43Å; K531-P637 VanDerWaalsContact O-CA 3.26Å; K531-P637 WeakPolarHBondContact O-CA 3.44Å; K531-N638 PolarHBondContact O-N 2.82Å; K531-E712 IonicContact NZ-OE2 2.77Å; K531-E712 PolarHBondContact NZ-OE2 2.96Å
532	W	86.6	Confident	75.7	Confident	2 Å²	2	85.5 Å²	85.5	1%	0.008	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-8.1	-179.1	48.3	-96.5	0	0	0	113.9	H527 E530 H534 F562 L563 V564 I611 Y612 I615 A635	H527-W532 HydrophobicContact CB-CH2 3.66Å; H527-W532 HydrophobicContact CB-CZ2 4.43Å; H527-W532 HydrophobicContact CB-CZ3 4.25Å; E530-W532 HydrophobicContact CB-CD2 3.92Å; E530-W532 VanDerWaalsContact CB-CE2 3.4Å; E530-W532 HydrophobicContact CB-CG 4.25Å; E530-W532 HydrophobicContact CB-CH2 4.4Å; E530-W532 HydrophobicContact CB-CZ2 3.71Å; E530-W532 HydrophobicContact CG-CH2 4.44Å; E530-W532 HydrophobicContact CG-CZ2 3.58Å; E530-W532 PolarHBondContact O-N 2.86Å; E530-W532 VanDerWaalsContact O-N 3.17Å; E530-W532 PolarHBondContact OE2-NE1 2.93Å; W532-H534 PolarHBondContact O-CD2 3.27Å; W532-F562 HydrophobicContact CB-CD2 4.42Å; W532-F562 HydrophobicContact CB-CE2 3.75Å; W532-F562 HydrophobicContact CB-CZ 4.09Å; W532-F562 HydrophobicContact CD2-CE2 4.1Å; W532-F562 HydrophobicContact CE3-CE2 4.44Å; W532-F562 AromaticContact CG-CE2 3.81Å; W532-F562 HydrophobicContact CG-CE2 3.81Å; W532-F562 HydrophobicContact CG-CZ 4Å; W532-L563 WeakPolarHBondContact O-CA 3.44Å; W532-V564 HydrophobicContact CE3-CB 3.81Å; W532-V564 HydrophobicContact CE3-CG2 3.61Å; W532-V564 HydrophobicContact CZ3-CB 3.95Å; W532-V564 HydrophobicContact CZ3-CG1 4.48Å; W532-V564 HydrophobicContact CZ3-CG2 3.8Å; W532-V564 PolarHBondContact O-N 3.3Å; W532-I611 HydrophobicContact CH2-CG2 3.99Å; W532-I611 HydrophobicContact CZ3-CG2 3.95Å; W532-Y612 HydrophobicContact CZ2-CD2 4.23Å; W532-I615 HydrophobicContact CD2-CG2 4.2Å; W532-I615 HydrophobicContact CE3-CG1 4.27Å; W532-I615 HydrophobicContact CH2-CB 4Å; W532-I615 HydrophobicContact CH2-CG1 3.72Å; W532-I615 HydrophobicContact CH2-CG2 4.35Å; W532-I615 HydrophobicContact CZ2-CB 3.95Å; W532-I615 HydrophobicContact CZ2-CG1 4.17Å; W532-I615 HydrophobicContact CZ2-CG2 3.94Å; W532-I615 HydrophobicContact CZ3-CB 4.46Å; W532-I615 HydrophobicContact CZ3-CG1 3.78Å; W532-A635 HydrophobicContact CB-CB 3.76Å; W532-A635 HydrophobicContact CG-CB 4.33Å
533	F	88.1	Confident	77.1	Confident	18 Å²	18	80.5 Å²	80.5	8%	0.079	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	-96.4	118.4	178.7	-171.6	-102.7	0	0	0	110.9	H527 L528 E530 K531 V564 E566	H527-F533 AromaticContact CD2-CD2 3.81Å; H527-F533 AromaticContact CD2-CE1 3.92Å; H527-F533 AromaticContact CD2-CE2 3.68Å; H527-F533 AromaticContact CD2-CG 3.99Å; H527-F533 AromaticContact CD2-CZ 3.73Å; H527-F533 AromaticContact NE2-CZ 3.99Å; H527-F533 WeakPolarHBondContact O-CB 3.4Å; L528-F533 HydrophobicContact CD2-CD1 4.05Å; L528-F533 HydrophobicContact CD2-CE1 3.56Å; L528-F533 HydrophobicContact CD2-CZ 4.37Å; E530-F533 PolarHBondContact O-N 3.24Å; E530-F533 VanDerWaalsContact O-N 3.08Å; K531-F533 VanDerWaalsContact C-N 3.3Å; K531-F533 PolarHBondContact O-N 2.86Å; F533-V564 WeakPolarHBondContact CA-O 3.46Å; F533-V564 HydrophobicContact CD2-CB 4.13Å; F533-V564 HydrophobicContact CD2-CG1 3.94Å; F533-V564 HydrophobicContact CE2-CG1 4.17Å; F533-E566 HydrophobicContact CZ-CG 4.39Å
534	H	85.2	Confident	78.5	Confident	10 Å²	10	71.3 Å²	71.3	5%	0.046	34%	0.339	C	S	.	.			trans	-103.4	0.5	-173.2	-70.4	-133	0	0	0	112.4	W532 M537 V564 V636 P637 N638	W532-H534 PolarHBondContact O-CD2 3.27Å; H534-M537 HydrophobicContact CB-CG 4.13Å; H534-M537 HydrophobicContact CB-SD 3.82Å; H534-V564 PolarHBondContact N-O 3.2Å; H534-V636 PolarHBondContact NE2-O 3.17Å; H534-P637 PolarHBondContact CE1-O 3.01Å; H534-N638 PolarHBondContact NE2-N 3.03Å
535	G	82.4	Confident	79.8	Confident	14 Å²	14	70.2 Å²	70.2	14%	0.144	33%	0.329	C	S	.	.			trans	57.6	-143.6	-179	0	0	0	0	0	112.5	R565 E566	G535-R565 WeakPolarHBondContact O-CA 3.04Å; G535-E566 PolarHBondContact O-N 3.23Å
536	K	82.4	Confident	80.7	Confident	177 Å²	177	71.5 Å²	71.5	77%	0.77	33%	0.333	S	S	*	.	S	Bend	trans	-81.5	119.5	176.6	-165.9	172.1	-178	176.6	0	110.9
537	M	79.6	Confident	81.3	Confident	25 Å²	25	70.4 Å²	70.4	12%	0.123	33%	0.327	C	S	.	.			trans	-106.4	146.9	179.5	-60.2	178.7	81.7	0	0	110.7	H534 T543 A544 L547 R565	H534-M537 HydrophobicContact CB-CG 4.13Å; H534-M537 HydrophobicContact CB-SD 3.82Å; M537-T543 HydrophobicContact CE-CG2 3.51Å; M537-A544 HydrophobicContact SD-CB 4.49Å; M537-L547 HydrophobicContact CE-CD1 3.6Å; M537-R565 HydrophobicContact CG-CB 4.24Å; M537-R565 HydrophobicContact SD-CB 3.81Å; M537-R565 HydrophobicContact SD-CG 4.4Å
538	K	72.1	Confident	81.9	Confident	186 Å²	186	69.5 Å²	69.5	81%	0.809	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	120.4	173.5	-169.4	179.7	-177.7	-178	0	109.1	T543	K538-T543 PolarHBondContact O-OG1 3.29Å
539	E	77.6	Confident	82.5	Confident	133 Å²	133	69.1 Å²	69.1	62%	0.621	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	46	-168.9	-53	177.5	-173.5	0	0	111.7	R541 T542 T543 E568	E539-R541 PolarHBondContact O-N 2.72Å; E539-T542 WeakPolarHBondContact CB-OG1 3.35Å; E539-T542 PolarHBondContact O-N 2.79Å; E539-T542 PolarHBondContact O-OG1 2.86Å; E539-T543 PolarHBondContact O-N 2.92Å; E539-T543 VanDerWaalsContact O-N 3.12Å; E539-T543 PolarHBondContact O-OG1 2.89Å; E539-E568 WeakPolarHBondContact CA-OE1 3.38Å; E539-E568 PolarHBondContact N-OE1 2.98Å
540	G	77.2	Confident	83.2	Confident	0 Å²	0	66 Å²	66	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-56.8	-24.8	-160.9	0	0	0	0	0	115.8	A544 R565 E568	G540-A544 WeakPolarHBondContact O-CB 3.34Å; G540-A544 PolarHBondContact O-N 2.95Å; G540-R565 WeakPolarHBondContact O-CD 3.22Å; G540-R565 PolarHBondContact O-NE 3.1Å; G540-E568 VanDerWaalsContact N-CD 3.32Å; G540-E568 PolarHBondContact N-OE1 3.49Å
541	R	84.3	Confident	83.3	Confident	131 Å²	131	64.9 Å²	64.9	49%	0.494	30%	0.3	S	S	.	.	H	α-helix	trans	-69.6	-55.3	172.2	-172.6	179.7	-180	117.6	0.5	112.5	E539 A544 E545 H586	E539-R541 PolarHBondContact O-N 2.72Å; R541-A544 PolarHBondContact O-N 2.92Å; R541-E545 IonicContact CZ-OE1 3.35Å; R541-E545 IonicContact NE-OE1 2.78Å; R541-E545 PolarHBondContact NE-OE1 3.19Å; R541-E545 IonicContact NH2-OE1 3.61Å; R541-E545 WeakPolarHBondContact O-CG 3.36Å; R541-E545 PolarHBondContact O-N 2.78Å; R541-H586 VanDerWaalsContact CZ-CD2 3.42Å; R541-H586 PolarHBondContact NH2-CD2 2.78Å; R541-H586 VanDerWaalsContact NH2-CD2 3.32Å
542	T	86.3	Confident	83.7	Confident	76 Å²	76	59.4 Å²	59.4	47%	0.466	28%	0.277	S	S	.	.	H	α-helix	trans	-67.2	-38	-175.6	44.5	0	0	0	0	111.2	E539 E545 K546	E539-T542 WeakPolarHBondContact CB-OG1 3.35Å; E539-T542 PolarHBondContact O-N 2.79Å; E539-T542 PolarHBondContact O-OG1 2.86Å; T542-E545 PolarHBondContact O-N 2.89Å; T542-K546 WeakPolarHBondContact O-CB 3.42Å; T542-K546 PolarHBondContact O-N 3.34Å
543	T	84.6	Confident	83.2	Confident	46 Å²	46	63.5 Å²	63.5	28%	0.282	31%	0.312	S	S	.	.	H	α-helix	trans	-66.3	-41.6	175.8	-42.9	0	0	0	0	112	M537 K538 E539 E545 K546 L547	M537-T543 HydrophobicContact CE-CG2 3.51Å; K538-T543 PolarHBondContact O-OG1 3.29Å; E539-T543 PolarHBondContact O-N 2.92Å; E539-T543 VanDerWaalsContact O-N 3.12Å; E539-T543 PolarHBondContact O-OG1 2.89Å; T543-E545 VanDerWaalsContact C-N 3.34Å; T543-E545 PolarHBondContact O-N 3.49Å; T543-K546 PolarHBondContact O-N 2.84Å; T543-L547 HydrophobicContact CG2-CD1 4.37Å; T543-L547 WeakPolarHBondContact O-CG 3.37Å; T543-L547 PolarHBondContact O-N 3.34Å
544	A	86.5	Confident	82.4	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-62.3	-41.9	174.8	0	0	0	0	0	111.9	M537 G540 R541 L548 L563	M537-A544 HydrophobicContact SD-CB 4.49Å; G540-A544 WeakPolarHBondContact O-CB 3.34Å; G540-A544 PolarHBondContact O-N 2.95Å; R541-A544 PolarHBondContact O-N 2.92Å; A544-L548 WeakPolarHBondContact O-CB 3.4Å; A544-L548 PolarHBondContact O-N 2.77Å; A544-L548 VanDerWaalsContact O-N 3.11Å; A544-L563 HydrophobicContact CB-CD1 3.89Å; A544-L563 HydrophobicContact CB-CD2 4.38Å
545	E	90.1	Very high	81.5	Confident	52 Å²	52	70.7 Å²	70.7	24%	0.243	35%	0.347	C	S	.	.	H	α-helix	trans	-61.1	-45.5	176	-71	174.8	-173.6	0	0	111.2	R541 T542 T543 Q549 V584 H586	R541-E545 IonicContact CZ-OE1 3.35Å; R541-E545 IonicContact NE-OE1 2.78Å; R541-E545 PolarHBondContact NE-OE1 3.19Å; R541-E545 IonicContact NH2-OE1 3.61Å; R541-E545 WeakPolarHBondContact O-CG 3.36Å; R541-E545 PolarHBondContact O-N 2.78Å; T542-E545 PolarHBondContact O-N 2.89Å; T543-E545 VanDerWaalsContact C-N 3.34Å; T543-E545 PolarHBondContact O-N 3.49Å; E545-Q549 WeakPolarHBondContact O-CB 3.27Å; E545-Q549 WeakPolarHBondContact O-CG 3.49Å; E545-Q549 PolarHBondContact O-N 3.39Å; E545-V584 HydrophobicContact CB-CG2 4.5Å; E545-V584 HydrophobicContact CG-CB 4.05Å; E545-V584 HydrophobicContact CG-CG1 4.01Å; E545-H586 WeakPolarHBondContact CG-NE2 3.31Å; E545-H586 IonicContact OE1-CD2 3.86Å; E545-H586 IonicContact OE1-NE2 3.4Å; E545-H586 PolarHBondContact OE1-NE2 2.83Å; E545-H586 VanDerWaalsContact OE1-NE2 3.13Å
546	K	86.2	Confident	80.8	Confident	120 Å²	120	72.4 Å²	72.4	52%	0.522	36%	0.364	S	S	.	.	H	α-helix	trans	-62.1	-50.2	177.8	-176.8	179.2	172.4	-176.4	0	112.5	T542 T543 L548 Q549 E550	T542-K546 WeakPolarHBondContact O-CB 3.42Å; T542-K546 PolarHBondContact O-N 3.34Å; T543-K546 PolarHBondContact O-N 2.84Å; K546-L548 VanDerWaalsContact C-N 3.33Å; K546-L548 PolarHBondContact O-N 3.44Å; K546-Q549 PolarHBondContact O-N 2.88Å; K546-E550 WeakPolarHBondContact CE-OE1 3.42Å; K546-E550 HydrophobicContact CG-CG 4.38Å; K546-E550 IonicContact NZ-OE1 3.26Å; K546-E550 WeakPolarHBondContact O-CB 3.44Å; K546-E550 WeakPolarHBondContact O-CG 3.44Å; K546-E550 PolarHBondContact O-N 3.22Å
547	L	85.4	Confident	80.1	Confident	31 Å²	31	65 Å²	65	16%	0.162	34%	0.337	C	S	.	.	H	α-helix	trans	-61.2	-41.2	-179.4	-71.9	176.1	0	0	0	112.3	M537 T543 Y551 L563 P639	M537-L547 HydrophobicContact CE-CD1 3.6Å; T543-L547 HydrophobicContact CG2-CD1 4.37Å; T543-L547 WeakPolarHBondContact O-CG 3.37Å; T543-L547 PolarHBondContact O-N 3.34Å; L547-Y551 WeakPolarHBondContact O-CB 3.3Å; L547-Y551 PolarHBondContact O-N 2.87Å; L547-L563 HydrophobicContact CB-CD2 4.28Å; L547-P639 HydrophobicContact CD1-CG 4.41Å; L547-P639 HydrophobicContact CD2-CG 3.91Å
548	L	87.1	Confident	80.2	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-65.9	-42.6	175.5	-91.9	151.5	0	0	0	111.8	A544 K546 C552 T561 L563 W579 V584 V636	A544-L548 WeakPolarHBondContact O-CB 3.4Å; A544-L548 PolarHBondContact O-N 2.77Å; A544-L548 VanDerWaalsContact O-N 3.11Å; K546-L548 VanDerWaalsContact C-N 3.33Å; K546-L548 PolarHBondContact O-N 3.44Å; L548-C552 VanDerWaalsContact O-CB 3.25Å; L548-C552 WeakPolarHBondContact O-CB 3.32Å; L548-C552 PolarHBondContact O-N 3.44Å; L548-C552 PolarHBondContact O-SG 3.22Å; L548-T561 HydrophobicContact CD2-CG2 4.07Å; L548-T561 VanDerWaalsContact CD2-O 3.25Å; L548-T561 WeakPolarHBondContact CD2-O 3.45Å; L548-L563 HydrophobicContact CD1-CD2 3.87Å; L548-L563 HydrophobicContact CD1-CG 3.91Å; L548-L563 HydrophobicContact CG-CD2 3.97Å; L548-L563 HydrophobicContact CG-CG 4.4Å; L548-W579 HydrophobicContact CD2-CB 4.4Å; L548-V584 HydrophobicContact CB-CG2 3.77Å; L548-V584 HydrophobicContact CD1-CG1 3.84Å; L548-V584 HydrophobicContact CD1-CG2 4.45Å; L548-V636 HydrophobicContact CD2-CG2 3.65Å; L548-V636 HydrophobicContact CG-CG2 4.04Å
549	Q	87.1	Confident	80.9	Confident	97 Å²	97	62.9 Å²	62.9	45%	0.453	33%	0.333	S	S	.	.	H	α-helix	trans	-62.8	-47.5	176.9	-76.4	170.7	9.4	0	0	112	E545 K546 C552 A553 W579 V584	E545-Q549 WeakPolarHBondContact O-CB 3.27Å; E545-Q549 WeakPolarHBondContact O-CG 3.49Å; E545-Q549 PolarHBondContact O-N 3.39Å; K546-Q549 PolarHBondContact O-N 2.88Å; Q549-C552 PolarHBondContact O-N 2.9Å; Q549-A553 VanDerWaalsContact O-CB 3.26Å; Q549-A553 WeakPolarHBondContact O-CB 3.36Å; Q549-A553 PolarHBondContact O-N 3.06Å; Q549-W579 HydrophobicContact CB-CZ3 4.28Å; Q549-W579 HydrophobicContact CG-CH2 3.99Å; Q549-W579 HydrophobicContact CG-CZ3 3.55Å; Q549-V584 HydrophobicContact CG-CG2 4.36Å
550	E	82.8	Confident	81.3	Confident	88 Å²	88	56.6 Å²	56.6	41%	0.411	30%	0.303	S	S	.	.	H	α-helix	trans	-62.3	-47.8	178.3	-73	173.8	168.2	0	0	111	K546 C552 A553 E554	K546-E550 WeakPolarHBondContact CE-OE1 3.42Å; K546-E550 HydrophobicContact CG-CG 4.38Å; K546-E550 IonicContact NZ-OE1 3.26Å; K546-E550 WeakPolarHBondContact O-CB 3.44Å; K546-E550 WeakPolarHBondContact O-CG 3.44Å; K546-E550 PolarHBondContact O-N 3.22Å; E550-C552 PolarHBondContact O-N 3.35Å; E550-A553 PolarHBondContact O-N 3.05Å; E550-E554 WeakPolarHBondContact O-CG 3.07Å; E550-E554 PolarHBondContact O-N 2.75Å
551	Y	82.1	Confident	81.9	Confident	32 Å²	32	56.6 Å²	56.6	13%	0.125	30%	0.303	C	S	.	.	H	α-helix	trans	-59.9	-45	176.9	-175.3	-85.6	0	0	0	111.9	L547 E554 M555 T561 D634 V636 P637	L547-Y551 WeakPolarHBondContact O-CB 3.3Å; L547-Y551 PolarHBondContact O-N 2.87Å; Y551-E554 PolarHBondContact O-N 2.75Å; Y551-M555 HydrophobicContact CD2-CG 4.37Å; Y551-M555 HydrophobicContact CE1-CB 4.23Å; Y551-M555 HydrophobicContact CE1-CG 4.31Å; Y551-M555 HydrophobicContact CE2-CG 4.15Å; Y551-M555 WeakPolarHBondContact O-CB 3.48Å; Y551-M555 PolarHBondContact O-N 3.05Å; Y551-T561 HydrophobicContact CD1-CG2 3.64Å; Y551-T561 HydrophobicContact CE1-CG2 3.71Å; Y551-D634 HydrophobicContact CE1-CB 4.25Å; Y551-V636 HydrophobicContact CD1-CG2 3.98Å; Y551-V636 HydrophobicContact CD2-CG1 4.16Å; Y551-V636 HydrophobicContact CD2-CG2 4.44Å; Y551-V636 HydrophobicContact CG-CB 4.5Å; Y551-V636 HydrophobicContact CG-CG1 4.19Å; Y551-V636 HydrophobicContact CG-CG2 3.94Å; Y551-P637 HydrophobicContact CE2-CG 4.47Å
552	C	83.5	Confident	82.4	Confident	10 Å²	10	50.3 Å²	50.3	7%	0.068	28%	0.28	C	S	.	.	H	α-helix	trans	-69	-34	179.6	-66.8	0	0	0	0	112.2	L548 Q549 E550 G556 G557 W579	L548-C552 VanDerWaalsContact O-CB 3.25Å; L548-C552 WeakPolarHBondContact O-CB 3.32Å; L548-C552 PolarHBondContact O-N 3.44Å; L548-C552 PolarHBondContact O-SG 3.22Å; Q549-C552 PolarHBondContact O-N 2.9Å; E550-C552 PolarHBondContact O-N 3.35Å; C552-G556 CarbonylContact O-C 3.55Å; C552-G556 WeakPolarHBondContact O-CA 3.22Å; C552-G556 PolarHBondContact O-N 2.83Å; C552-G556 VanDerWaalsContact O-N 3.08Å; C552-G557 PolarHBondContact O-N 3.08Å; C552-W579 HydrophobicContact CB-CD2 4.02Å; C552-W579 HydrophobicContact CB-CE3 4.27Å; C552-W579 HydrophobicContact CB-CG 4.49Å; C552-W579 HydrophobicContact CB-CH2 4.43Å; C552-W579 HydrophobicContact CB-CZ2 4.16Å; C552-W579 HydrophobicContact CB-CZ3 4.48Å; C552-W579 VanDerWaalsContact SG-CD2 3.56Å; C552-W579 VanDerWaalsContact SG-CG 3.58Å
553	A	77.8	Confident	82.7	Confident	88 Å²	88	46.7 Å²	46.7	73%	0.727	26%	0.257	S	S	*	.	H	α-helix	trans	-68.8	-40.2	175.5	0	0	0	0	0	112.1	Q549 E550	Q549-A553 VanDerWaalsContact O-CB 3.26Å; Q549-A553 WeakPolarHBondContact O-CB 3.36Å; Q549-A553 PolarHBondContact O-N 3.06Å; E550-A553 PolarHBondContact O-N 3.05Å
554	E	69.3	Low	83.1	Confident	105 Å²	105	44.5 Å²	44.5	49%	0.491	24%	0.244	S	C	.	.	H	α-helix	trans	-76.7	-42.1	-179.8	-73.3	-173.6	175.9	0	0	113.4	E550 Y551 R701	E550-E554 WeakPolarHBondContact O-CG 3.07Å; E550-E554 PolarHBondContact O-N 2.75Å; Y551-E554 PolarHBondContact O-N 2.75Å; E554-R701 IonicContact OE2-NE 2.82Å
555	M	67.8	Low	83.2	Confident	74 Å²	74	45.1 Å²	45.1	37%	0.365	25%	0.246	S	C	.	.	H	α-helix	trans	-99.9	-2.9	-170.9	-57.7	-63.8	-102.2	0	0	113.6	R164 Y551 R701	R164-M555 PolarHBondContact NH2-O 3.34Å; Y551-M555 HydrophobicContact CD2-CG 4.37Å; Y551-M555 HydrophobicContact CE1-CB 4.23Å; Y551-M555 HydrophobicContact CE1-CG 4.31Å; Y551-M555 HydrophobicContact CE2-CG 4.15Å; Y551-M555 WeakPolarHBondContact O-CB 3.48Å; Y551-M555 PolarHBondContact O-N 3.05Å; M555-R701 VanDerWaalsContact CE-NH2 3.31Å
556	G	67.1	Low	83.2	Confident	49 Å²	49	46.6 Å²	46.6	51%	0.505	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.7	60	-174.3	0	0	0	0	0	111.2	C552	C552-G556 CarbonylContact O-C 3.55Å; C552-G556 WeakPolarHBondContact O-CA 3.22Å; C552-G556 PolarHBondContact O-N 2.83Å; C552-G556 VanDerWaalsContact O-N 3.08Å
557	G	67.2	Low	83.1	Confident	21 Å²	21	41.7 Å²	41.7	22%	0.216	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-58.9	133.4	-169.9	0	0	0	0	0	113.7	C552	C552-G557 PolarHBondContact O-N 3.08Å
558	Q	82.3	Confident	82.9	Confident	97 Å²	97	45.6 Å²	45.6	45%	0.453	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-95.2	157.1	174.6	57.3	-177.9	-20.6	0	0	111	G560 T561 T633 D634	Q558-G560 PolarHBondContact O-N 2.94Å; Q558-T561 WeakPolarHBondContact O-CB 3.27Å; Q558-T561 PolarHBondContact O-N 3.14Å; Q558-T561 VanDerWaalsContact O-N 3.16Å; Q558-T561 PolarHBondContact O-OG1 3.27Å; Q558-T633 HydrophobicContact CG-CG2 4.47Å; Q558-D634 PolarHBondContact NE2-OD2 3.23Å
559	D	87.1	Confident	82.5	Confident	71 Å²	71	49.1 Å²	49.1	38%	0.38	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	130.1	173.4	-83	15.6	0	0	0	109.6	W579 R580 S581 L630 T633	D559-W579 WeakPolarHBondContact CA-O 3.42Å; D559-R580 WeakPolarHBondContact OD1-CA 3.25Å; D559-S581 PolarHBondContact OD1-N 3.41Å; D559-S581 PolarHBondContact OD2-N 3.48Å; D559-L630 HydrophobicContact CB-CD1 4.11Å; D559-T633 PolarHBondContact O-OG1 3.49Å
560	G	86	Confident	82.2	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	97.5	-0.6	-177.3	0	0	0	0	0	116.1	Q558 F562 W579 R631 L632 T633	Q558-G560 PolarHBondContact O-N 2.94Å; G560-F562 PolarHBondContact O-N 3.32Å; G560-W579 PolarHBondContact N-O 3.29Å; G560-R631 WeakPolarHBondContact CA-O 3.48Å; G560-L632 WeakPolarHBondContact O-CA 3.16Å; G560-T633 PolarHBondContact O-N 3.26Å; G560-T633 PolarHBondContact O-OG1 2.73Å
561	T	90.4	Very high	81.7	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	29%	0.292	C	S	.	.			trans	-58.7	129.5	168.4	-57.5	0	0	0	0	109	L548 Y551 Q558 F578 W579 T633 D634 V636	L548-T561 HydrophobicContact CD2-CG2 4.07Å; L548-T561 VanDerWaalsContact CD2-O 3.25Å; L548-T561 WeakPolarHBondContact CD2-O 3.45Å; Y551-T561 HydrophobicContact CD1-CG2 3.64Å; Y551-T561 HydrophobicContact CE1-CG2 3.71Å; Q558-T561 WeakPolarHBondContact O-CB 3.27Å; Q558-T561 PolarHBondContact O-N 3.14Å; Q558-T561 VanDerWaalsContact O-N 3.16Å; Q558-T561 PolarHBondContact O-OG1 3.27Å; T561-F578 CarbonylContact O-C 3.5Å; T561-F578 WeakPolarHBondContact O-CA 3.46Å; T561-F578 WeakPolarHBondContact O-CB 3.44Å; T561-W579 PolarHBondContact O-N 3.27Å; T561-T633 PolarHBondContact N-OG1 3.25Å; T561-T633 VanDerWaalsContact N-OG1 3.07Å; T561-D634 CarbonylContact C-O 3.47Å; T561-D634 WeakPolarHBondContact CA-O 3.23Å; T561-D634 HydrophobicContact CG2-CB 4.14Å; T561-D634 WeakPolarHBondContact CG2-O 3.18Å; T561-V636 HydrophobicContact CG2-CG2 3.67Å
562	F	93.6	Very high	81.4	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	162.8	-164.5	78	-78.6	0	0	0	115.9	W532 G560 V564 L576 S577 F578 I615 L632 D634 A635 V636	W532-F562 HydrophobicContact CB-CD2 4.42Å; W532-F562 HydrophobicContact CB-CE2 3.75Å; W532-F562 HydrophobicContact CB-CZ 4.09Å; W532-F562 HydrophobicContact CD2-CE2 4.1Å; W532-F562 HydrophobicContact CE3-CE2 4.44Å; W532-F562 AromaticContact CG-CE2 3.81Å; W532-F562 HydrophobicContact CG-CE2 3.81Å; W532-F562 HydrophobicContact CG-CZ 4Å; G560-F562 PolarHBondContact O-N 3.32Å; F562-V564 HydrophobicContact CD2-CG2 4.45Å; F562-L576 HydrophobicContact CB-CD1 4.03Å; F562-L576 HydrophobicContact CD2-CD1 3.58Å; F562-L576 HydrophobicContact CE2-CD1 4.48Å; F562-L576 HydrophobicContact CG-CD1 4.16Å; F562-S577 CarbonylContact C-O 3.6Å; F562-S577 WeakPolarHBondContact CA-O 3.4Å; F562-S577 WeakPolarHBondContact CB-O 3.47Å; F562-F578 HydrophobicContact CB-CB 3.78Å; F562-I615 HydrophobicContact CE2-CD1 4.21Å; F562-I615 HydrophobicContact CE2-CG2 3.58Å; F562-I615 HydrophobicContact CZ-CG2 3.59Å; F562-L632 HydrophobicContact CB-CD2 3.87Å; F562-L632 HydrophobicContact CD1-CB 3.74Å; F562-L632 HydrophobicContact CD1-CD1 4.45Å; F562-L632 HydrophobicContact CD1-CD2 4.13Å; F562-L632 HydrophobicContact CD1-CG 4.32Å; F562-L632 HydrophobicContact CD2-CD1 4.13Å; F562-L632 HydrophobicContact CD2-CD2 4.44Å; F562-L632 HydrophobicContact CE1-CB 3.79Å; F562-L632 HydrophobicContact CE1-CD1 4.48Å; F562-L632 HydrophobicContact CE2-CD1 4.16Å; F562-L632 HydrophobicContact CG-CB 4.29Å; F562-L632 HydrophobicContact CG-CD1 4.27Å; F562-L632 HydrophobicContact CG-CD2 3.89Å; F562-L632 HydrophobicContact CG-CG 4.38Å; F562-L632 HydrophobicContact CZ-CB 4.38Å; F562-L632 HydrophobicContact CZ-CD1 4.33Å; F562-D634 WeakPolarHBondContact CD1-O 3.21Å; F562-D634 PolarHBondContact N-O 3.25Å; F562-A635 HydrophobicContact CE1-CB 4.32Å; F562-A635 HydrophobicContact CZ-CB 4.39Å; F562-V636 PolarHBondContact O-N 3.16Å
563	L	92.9	Very high	81.6	Confident	0 Å²	0	55 Å²	55	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	160	164.8	64	86.4	0	0	0	111.2	W532 A544 L547 L548 S577 V636	W532-L563 WeakPolarHBondContact O-CA 3.44Å; A544-L563 HydrophobicContact CB-CD1 3.89Å; A544-L563 HydrophobicContact CB-CD2 4.38Å; L547-L563 HydrophobicContact CB-CD2 4.28Å; L548-L563 HydrophobicContact CD1-CD2 3.87Å; L548-L563 HydrophobicContact CD1-CG 3.91Å; L548-L563 HydrophobicContact CG-CD2 3.97Å; L548-L563 HydrophobicContact CG-CG 4.4Å; L563-S577 PolarHBondContact N-O 3.23Å; L563-S577 PolarHBondContact O-N 3.01Å; L563-V636 HydrophobicContact CB-CB 4.24Å; L563-V636 HydrophobicContact CD2-CB 4.31Å; L563-V636 HydrophobicContact CD2-CG1 4.32Å
564	V	91.9	Very high	82.1	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	136.6	175.7	-177.9	0	0	0	0	109.5	W532 F533 H534 F562 C574 T575 L576 I589 I611 I615	W532-V564 HydrophobicContact CE3-CB 3.81Å; W532-V564 HydrophobicContact CE3-CG2 3.61Å; W532-V564 HydrophobicContact CZ3-CB 3.95Å; W532-V564 HydrophobicContact CZ3-CG1 4.48Å; W532-V564 HydrophobicContact CZ3-CG2 3.8Å; W532-V564 PolarHBondContact O-N 3.3Å; F533-V564 WeakPolarHBondContact CA-O 3.46Å; F533-V564 HydrophobicContact CD2-CB 4.13Å; F533-V564 HydrophobicContact CD2-CG1 3.94Å; F533-V564 HydrophobicContact CE2-CG1 4.17Å; H534-V564 PolarHBondContact N-O 3.2Å; F562-V564 HydrophobicContact CD2-CG2 4.45Å; V564-C574 HydrophobicContact CG1-CB 3.89Å; V564-T575 WeakPolarHBondContact CA-O 3.21Å; V564-L576 HydrophobicContact CG2-CD1 3.83Å; V564-I589 HydrophobicContact CG1-CD1 3.91Å; V564-I589 HydrophobicContact CG2-CD1 4.41Å; V564-I611 HydrophobicContact CG1-CG2 4.4Å; V564-I615 HydrophobicContact CG2-CD1 3.64Å; V564-I615 HydrophobicContact CG2-CG1 4.11Å
565	R	90.6	Very high	83.2	Confident	12 Å²	12	46.8 Å²	46.8	5%	0.045	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	162.6	177.5	59.4	174.4	176.2	79.1	-3.5	111.3	G535 M537 G540 C574 T575	G535-R565 WeakPolarHBondContact O-CA 3.04Å; M537-R565 HydrophobicContact CG-CB 4.24Å; M537-R565 HydrophobicContact SD-CB 3.81Å; M537-R565 HydrophobicContact SD-CG 4.4Å; G540-R565 WeakPolarHBondContact O-CD 3.22Å; G540-R565 PolarHBondContact O-NE 3.1Å; R565-C574 CarbonylContact O-C 3.57Å; R565-C574 VanDerWaalsContact O-CA 3.23Å; R565-C574 WeakPolarHBondContact O-CA 3.46Å; R565-C574 WeakPolarHBondContact O-CB 3.49Å; R565-T575 PolarHBondContact N-O 3.26Å; R565-T575 PolarHBondContact O-N 3.4Å
566	E	88.3	Confident	84.3	Confident	83 Å²	83	43.2 Å²	43.2	39%	0.388	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	146	168.4	-68.7	178	-161.9	0	0	110.9	F533 G535	F533-E566 HydrophobicContact CZ-CG 4.39Å; G535-E566 PolarHBondContact O-N 3.23Å
567	S	84.9	Confident	85.6	Confident	17 Å²	17	40.9 Å²	40.9	12%	0.119	23%	0.228	C	C	.	.			trans	-81.5	119.7	-179.9	178.7	0	0	0	0	110.7	A569 F570 D573	S567-A569 VanDerWaalsContact C-N 3.29Å; S567-A569 PolarHBondContact O-N 3.43Å; S567-F570 WeakPolarHBondContact CB-O 3.46Å; S567-F570 PolarHBondContact OG-N 3.37Å; S567-D573 WeakPolarHBondContact CB-O 3.45Å; S567-D573 PolarHBondContact N-O 3.22Å
568	E	80.8	Confident	86.8	Confident	113 Å²	113	39.9 Å²	39.9	53%	0.528	22%	0.218	S	C	.	.	S	Bend	trans	-67	-31.9	174.1	-65.7	-178.6	144.2	0	0	112.5	E539 G540	E539-E568 WeakPolarHBondContact CA-OE1 3.38Å; E539-E568 PolarHBondContact N-OE1 2.98Å; G540-E568 VanDerWaalsContact N-CD 3.32Å; G540-E568 PolarHBondContact N-OE1 3.49Å
569	A	79.8	Confident	87.2	Confident	74 Å²	74	37.1 Å²	37.1	61%	0.612	20%	0.203	S	C	*	.	S	Bend	trans	-86	-19.9	-174.8	0	0	0	0	0	113.2	S567	S567-A569 VanDerWaalsContact C-N 3.29Å; S567-A569 PolarHBondContact O-N 3.43Å
570	F	81	Confident	87.2	Confident	89 Å²	89	36.4 Å²	36.4	39%	0.39	20%	0.195	S	C	.	.	S	Bend	trans	-139.9	105.9	-171.9	-59.6	-74	0	0	0	110.2	S567 D573 R588	S567-F570 WeakPolarHBondContact CB-O 3.46Å; S567-F570 PolarHBondContact OG-N 3.37Å; F570-D573 HydrophobicContact CB-CB 4Å; F570-D573 PolarHBondContact O-N 2.88Å; F570-R588 VanDerWaalsContact CD1-CZ 3.4Å
571	P	72.3	Confident	87.1	Confident	112 Å²	112	40.8 Å²	40.8	73%	0.727	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	138.7	176	-22.2	32.4	0	0	0	111.1	D573	P571-D573 VanDerWaalsContact C-N 3.25Å; P571-D573 PolarHBondContact O-N 3.13Å
572	N	74.7	Confident	86.7	Confident	142 Å²	142	43 Å²	43	76%	0.759	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.3	-6.9	-178.1	-49.8	-31.6	0	0	0	116.9	S591	N572-S591 PolarHBondContact O-OG 3.09Å
573	D	87.3	Confident	86.3	Confident	9 Å²	9	52.3 Å²	52.3	5%	0.048	28%	0.284	C	S	.	.			trans	-95.4	160.4	175.3	-78.4	3.2	0	0	0	112.3	S567 F570 P571 R588 I589 S591	S567-D573 WeakPolarHBondContact CB-O 3.45Å; S567-D573 PolarHBondContact N-O 3.22Å; F570-D573 HydrophobicContact CB-CB 4Å; F570-D573 PolarHBondContact O-N 2.88Å; P571-D573 VanDerWaalsContact C-N 3.25Å; P571-D573 PolarHBondContact O-N 3.13Å; D573-R588 IonicContact OD2-CZ 3.93Å; D573-R588 IonicContact OD2-NE 3.72Å; D573-R588 PolarHBondContact OD2-NE 3.42Å; D573-R588 IonicContact OD2-NH2 3.35Å; D573-R588 PolarHBondContact OD2-NH2 3.38Å; D573-I589 WeakPolarHBondContact CB-O 3.5Å; D573-S591 WeakPolarHBondContact OD1-CB 3Å; D573-S591 PolarHBondContact OD1-N 3.39Å; D573-S591 PolarHBondContact OD1-OG 2.87Å
574	C	89.8	Confident	86.2	Confident	7 Å²	7	53.3 Å²	53.3	5%	0.047	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	164.3	172.7	-62.4	0	0	0	0	111.3	V564 R565 I589 I611	V564-C574 HydrophobicContact CG1-CB 3.89Å; R565-C574 CarbonylContact O-C 3.57Å; R565-C574 VanDerWaalsContact O-CA 3.23Å; R565-C574 WeakPolarHBondContact O-CA 3.46Å; R565-C574 WeakPolarHBondContact O-CB 3.49Å; C574-I589 HydrophobicContact CB-CB 4.09Å; C574-I589 HydrophobicContact CB-CD1 4.11Å; C574-I589 PolarHBondContact N-O 3.31Å; C574-I589 VanDerWaalsContact N-O 3.11Å; C574-I589 PolarHBondContact O-N 2.97Å; C574-I611 HydrophobicContact CB-CD1 4.43Å; C574-I611 WeakPolarHBondContact SG-CD1 3.32Å
575	T	91.1	Very high	86	Confident	12 Å²	12	56.1 Å²	56.1	7%	0.074	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	120.2	173.4	-56.3	0	0	0	0	109.1	V564 R565 H586 C587	V564-T575 WeakPolarHBondContact CA-O 3.21Å; R565-T575 PolarHBondContact N-O 3.26Å; R565-T575 PolarHBondContact O-N 3.4Å; T575-H586 HydrophobicContact CG2-CB 3.91Å; T575-C587 CarbonylContact C-O 3.5Å; T575-C587 WeakPolarHBondContact CA-O 3.29Å
576	L	92.1	Very high	86	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	122.2	168.2	173.8	62.6	0	0	0	108.6	F562 V564 F578 H586 C587 I589 L602 I615 L632	F562-L576 HydrophobicContact CB-CD1 4.03Å; F562-L576 HydrophobicContact CD2-CD1 3.58Å; F562-L576 HydrophobicContact CE2-CD1 4.48Å; F562-L576 HydrophobicContact CG-CD1 4.16Å; V564-L576 HydrophobicContact CG2-CD1 3.83Å; L576-F578 HydrophobicContact CD2-CD1 4.49Å; L576-F578 HydrophobicContact CG-CD1 4.19Å; L576-H586 CarbonylContact O-C 3.59Å; L576-H586 WeakPolarHBondContact O-CA 3.21Å; L576-C587 HydrophobicContact CB-CB 4.5Å; L576-C587 PolarHBondContact N-O 2.92Å; L576-C587 PolarHBondContact O-N 3.47Å; L576-I589 HydrophobicContact CB-CD1 4.06Å; L576-I589 HydrophobicContact CB-CG1 4.21Å; L576-L602 HydrophobicContact CD2-CD1 3.97Å; L576-I615 HydrophobicContact CD1-CD1 3.99Å; L576-L632 HydrophobicContact CD1-CD1 4.15Å; L576-L632 HydrophobicContact CD1-CD2 4.21Å; L576-L632 HydrophobicContact CD2-CD1 4.17Å; L576-L632 HydrophobicContact CD2-CD2 4.19Å
577	S	93.1	Very high	86	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	130.7	175.4	-48.4	0	0	0	0	108.7	F562 L563 Q585 H586	F562-S577 CarbonylContact C-O 3.6Å; F562-S577 WeakPolarHBondContact CA-O 3.4Å; F562-S577 WeakPolarHBondContact CB-O 3.47Å; L563-S577 PolarHBondContact N-O 3.23Å; L563-S577 PolarHBondContact O-N 3.01Å; S577-Q585 CarbonylContact C-O 3.6Å; S577-Q585 VanDerWaalsContact CA-O 3.24Å; S577-Q585 WeakPolarHBondContact CA-O 3.37Å; S577-H586 WeakPolarHBondContact CB-ND1 3.47Å; S577-H586 PolarHBondContact OG-ND1 3.4Å
578	F	92	Very high	86.2	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	153.4	-177.1	62.3	-85.4	0	0	0	113.2	T561 F562 L576 R580 V584 Q585 C587 L623 F628 L630 L632	T561-F578 CarbonylContact O-C 3.5Å; T561-F578 WeakPolarHBondContact O-CA 3.46Å; T561-F578 WeakPolarHBondContact O-CB 3.44Å; F562-F578 HydrophobicContact CB-CB 3.78Å; L576-F578 HydrophobicContact CD2-CD1 4.49Å; L576-F578 HydrophobicContact CG-CD1 4.19Å; F578-R580 HydrophobicContact CD2-CB 4.41Å; F578-R580 HydrophobicContact CE2-CB 4.27Å; F578-V584 WeakPolarHBondContact O-CA 3.45Å; F578-Q585 HydrophobicContact CD2-CB 4.41Å; F578-Q585 HydrophobicContact CE1-CB 4.03Å; F578-Q585 HydrophobicContact CE2-CB 3.85Å; F578-Q585 HydrophobicContact CE2-CG 4.42Å; F578-Q585 HydrophobicContact CZ-CB 3.63Å; F578-Q585 HydrophobicContact CZ-CG 4.49Å; F578-Q585 PolarHBondContact N-O 2.69Å; F578-Q585 PolarHBondContact O-N 2.77Å; F578-C587 HydrophobicContact CE1-CB 4.43Å; F578-L623 HydrophobicContact CE1-CD2 4.5Å; F578-F628 HydrophobicContact CE2-CE2 4.03Å; F578-F628 HydrophobicContact CE2-CZ 4.2Å; F578-F628 AromaticContact CZ-CE2 3.8Å; F578-F628 HydrophobicContact CZ-CE2 3.8Å; F578-F628 AromaticContact CZ-CZ 3.6Å; F578-F628 HydrophobicContact CZ-CZ 3.6Å; F578-L630 HydrophobicContact CD2-CD1 4.03Å; F578-L630 HydrophobicContact CD2-CD2 3.8Å; F578-L630 HydrophobicContact CE2-CD1 4.11Å; F578-L630 HydrophobicContact CE2-CD2 4.04Å; F578-L630 HydrophobicContact CG-CD2 4.43Å; F578-L632 HydrophobicContact CB-CD2 4.39Å
579	W	90.6	Very high	86.7	Confident	38 Å²	38	52.9 Å²	52.9	14%	0.144	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	132.7	179.2	-166.9	-105	0	0	0	111.2	L548 Q549 C552 D559 G560 T561 V584	L548-W579 HydrophobicContact CD2-CB 4.4Å; Q549-W579 HydrophobicContact CB-CZ3 4.28Å; Q549-W579 HydrophobicContact CG-CH2 3.99Å; Q549-W579 HydrophobicContact CG-CZ3 3.55Å; C552-W579 HydrophobicContact CB-CD2 4.02Å; C552-W579 HydrophobicContact CB-CE3 4.27Å; C552-W579 HydrophobicContact CB-CG 4.49Å; C552-W579 HydrophobicContact CB-CH2 4.43Å; C552-W579 HydrophobicContact CB-CZ2 4.16Å; C552-W579 HydrophobicContact CB-CZ3 4.48Å; C552-W579 VanDerWaalsContact SG-CD2 3.56Å; C552-W579 VanDerWaalsContact SG-CG 3.58Å; D559-W579 WeakPolarHBondContact CA-O 3.42Å; G560-W579 PolarHBondContact N-O 3.29Å; T561-W579 PolarHBondContact O-N 3.27Å; W579-V584 HydrophobicContact CE3-CG2 3.68Å; W579-V584 HydrophobicContact CZ3-CG2 3.75Å
580	R	88.6	Confident	87.1	Confident	56 Å²	56	52.9 Å²	52.9	21%	0.211	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	125.8	174.7	-176.7	-177.7	167.8	-142.6	-5.7	111.3	D559 F578 G582 R583 Q585 E627 F628 L630	D559-R580 WeakPolarHBondContact OD1-CA 3.25Å; F578-R580 HydrophobicContact CD2-CB 4.41Å; F578-R580 HydrophobicContact CE2-CB 4.27Å; R580-G582 PolarHBondContact O-N 3.19Å; R580-G582 VanDerWaalsContact O-N 3.14Å; R580-R583 PolarHBondContact N-O 3.42Å; R580-R583 PolarHBondContact O-N 2.93Å; R580-Q585 HydrophobicContact CB-CG 4.48Å; R580-E627 PolarHBondContact NH2-O 3.24Å; R580-F628 VanDerWaalsContact NH1-CB 3.29Å; R580-F628 VanDerWaalsContact NH1-CG 3.29Å; R580-F628 VanDerWaalsContact NH2-CB 3.25Å; R580-L630 HydrophobicContact CB-CD1 4.19Å; R580-L630 HydrophobicContact CG-CD1 4.15Å
581	S	83.4	Confident	87.3	Confident	92 Å²	92	50.1 Å²	50.1	64%	0.643	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	40.1	173.2	-52.4	0	0	0	0	113.2	D559	D559-S581 PolarHBondContact OD1-N 3.41Å; D559-S581 PolarHBondContact OD2-N 3.48Å
582	G	81.3	Confident	87.7	Confident	48 Å²	48	47.2 Å²	47.2	50%	0.495	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.2	10.4	178.7	0	0	0	0	0	115.6	R580	R580-G582 PolarHBondContact O-N 3.19Å; R580-G582 VanDerWaalsContact O-N 3.14Å
583	R	86.2	Confident	87.4	Confident	195 Å²	195	43 Å²	43	74%	0.736	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-135.7	157.1	177.6	-62.2	-175.2	-177.6	-173.6	0.5	111.4	R580	R580-R583 PolarHBondContact N-O 3.42Å; R580-R583 PolarHBondContact O-N 2.93Å
584	V	89.9	Confident	85.9	Confident	20 Å²	20	50.6 Å²	50.6	12%	0.121	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	133.3	174.4	179.8	0	0	0	0	109.6	E545 L548 Q549 F578 W579	E545-V584 HydrophobicContact CB-CG2 4.5Å; E545-V584 HydrophobicContact CG-CB 4.05Å; E545-V584 HydrophobicContact CG-CG1 4.01Å; L548-V584 HydrophobicContact CB-CG2 3.77Å; L548-V584 HydrophobicContact CD1-CG1 3.84Å; L548-V584 HydrophobicContact CD1-CG2 4.45Å; Q549-V584 HydrophobicContact CG-CG2 4.36Å; F578-V584 WeakPolarHBondContact O-CA 3.45Å; W579-V584 HydrophobicContact CE3-CG2 3.68Å; W579-V584 HydrophobicContact CZ3-CG2 3.75Å
585	Q	89.3	Confident	84.5	Confident	59 Å²	59	53.3 Å²	53.3	28%	0.276	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	153.7	171.1	-64.6	-148.7	1.7	0	0	110.7	S577 F578 R580	S577-Q585 CarbonylContact C-O 3.6Å; S577-Q585 VanDerWaalsContact CA-O 3.24Å; S577-Q585 WeakPolarHBondContact CA-O 3.37Å; F578-Q585 HydrophobicContact CD2-CB 4.41Å; F578-Q585 HydrophobicContact CE1-CB 4.03Å; F578-Q585 HydrophobicContact CE2-CB 3.85Å; F578-Q585 HydrophobicContact CE2-CG 4.42Å; F578-Q585 HydrophobicContact CZ-CB 3.63Å; F578-Q585 HydrophobicContact CZ-CG 4.49Å; F578-Q585 PolarHBondContact N-O 2.69Å; F578-Q585 PolarHBondContact O-N 2.77Å; R580-Q585 HydrophobicContact CB-CG 4.48Å
586	H	89.7	Confident	82.9	Confident	37 Å²	37	60.9 Å²	60.9	17%	0.171	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	129.3	180	-54.2	-86.7	0	0	0	110.7	R541 E545 T575 L576 S577	R541-H586 VanDerWaalsContact CZ-CD2 3.42Å; R541-H586 PolarHBondContact NH2-CD2 2.78Å; R541-H586 VanDerWaalsContact NH2-CD2 3.32Å; E545-H586 WeakPolarHBondContact CG-NE2 3.31Å; E545-H586 IonicContact OE1-CD2 3.86Å; E545-H586 IonicContact OE1-NE2 3.4Å; E545-H586 PolarHBondContact OE1-NE2 2.83Å; E545-H586 VanDerWaalsContact OE1-NE2 3.13Å; T575-H586 HydrophobicContact CG2-CB 3.91Å; L576-H586 CarbonylContact O-C 3.59Å; L576-H586 WeakPolarHBondContact O-CA 3.21Å; S577-H586 WeakPolarHBondContact CB-ND1 3.47Å; S577-H586 PolarHBondContact OG-ND1 3.4Å
587	C	88.8	Confident	81.6	Confident	26 Å²	26	67 Å²	67	18%	0.176	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	132	172.9	-70.1	0	0	0	0	110.2	T575 L576 F578 L602	T575-C587 CarbonylContact C-O 3.5Å; T575-C587 WeakPolarHBondContact CA-O 3.29Å; L576-C587 HydrophobicContact CB-CB 4.5Å; L576-C587 PolarHBondContact N-O 2.92Å; L576-C587 PolarHBondContact O-N 3.47Å; F578-C587 HydrophobicContact CE1-CB 4.43Å; C587-L602 HydrophobicContact CB-CD2 3.94Å
588	R	88.9	Confident	80.9	Confident	94 Å²	94	70 Å²	70	36%	0.355	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	122.3	176.2	-179.7	-179.4	172.8	-173.7	-2	109.9	F570 D573 R590 L602	F570-R588 VanDerWaalsContact CD1-CZ 3.4Å; D573-R588 IonicContact OD2-CZ 3.93Å; D573-R588 IonicContact OD2-NE 3.72Å; D573-R588 PolarHBondContact OD2-NE 3.42Å; D573-R588 IonicContact OD2-NH2 3.35Å; D573-R588 PolarHBondContact OD2-NH2 3.38Å; R588-R590 HydrophobicContact CG-CG 4.18Å; R588-L602 WeakPolarHBondContact O-CD2 3.47Å
589	I	90.4	Very high	80.6	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	108.8	166.3	-58.8	168.4	0	0	0	106.7	V564 D573 C574 L576 Y600 L602 L614	V564-I589 HydrophobicContact CG1-CD1 3.91Å; V564-I589 HydrophobicContact CG2-CD1 4.41Å; D573-I589 WeakPolarHBondContact CB-O 3.5Å; C574-I589 HydrophobicContact CB-CB 4.09Å; C574-I589 HydrophobicContact CB-CD1 4.11Å; C574-I589 PolarHBondContact N-O 3.31Å; C574-I589 VanDerWaalsContact N-O 3.11Å; C574-I589 PolarHBondContact O-N 2.97Å; L576-I589 HydrophobicContact CB-CD1 4.06Å; L576-I589 HydrophobicContact CB-CG1 4.21Å; I589-Y600 HydrophobicContact CG2-CD1 4.26Å; I589-L602 HydrophobicContact CB-CD2 4.35Å; I589-L602 HydrophobicContact CG1-CD2 3.6Å; I589-L602 HydrophobicContact CG1-CG 4.32Å; I589-L614 HydrophobicContact CD1-CD2 4.31Å; I589-L614 HydrophobicContact CG1-CD2 4.5Å; I589-L614 HydrophobicContact CG2-CD1 3.84Å
590	R	88.9	Confident	80.5	Confident	75 Å²	75	74 Å²	74	28%	0.283	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	140	179.5	-70.1	178.2	-100.6	168.9	-0.4	109.7	R588 Y600 Y601 L602 D604	R588-R590 HydrophobicContact CG-CG 4.18Å; R590-Y600 CarbonylContact O-C 3.59Å; R590-Y600 WeakPolarHBondContact O-CA 3.45Å; R590-Y601 HydrophobicContact CB-CD1 4.38Å; R590-Y601 HydrophobicContact CB-CD2 4.13Å; R590-Y601 HydrophobicContact CB-CE1 3.97Å; R590-Y601 HydrophobicContact CB-CE2 3.72Å; R590-Y601 HydrophobicContact CB-CG 4.44Å; R590-Y601 HydrophobicContact CG-CE2 4.38Å; R590-Y601 PolarHBondContact N-O 3.18Å; R590-Y601 PolarHBondContact O-N 3.28Å; R590-L602 PolarHBondContact NH2-O 3.46Å; R590-D604 IonicContact CZ-OD1 3.42Å; R590-D604 IonicContact CZ-OD2 2.87Å; R590-D604 IonicContact NH1-OD1 2.78Å; R590-D604 PolarHBondContact NH1-OD1 2.96Å; R590-D604 IonicContact NH1-OD2 2.76Å; R590-D604 PolarHBondContact NH1-OD2 3.06Å; R590-D604 IonicContact NH2-OD1 2.86Å; R590-D604 IonicContact NH2-OD2 3.46Å
591	S	86.1	Confident	80.4	Confident	31 Å²	31	73 Å²	73	22%	0.217	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	134.2	169.8	66	0	0	0	0	109.9	N572 D573 K599	N572-S591 PolarHBondContact O-OG 3.09Å; D573-S591 WeakPolarHBondContact OD1-CB 3Å; D573-S591 PolarHBondContact OD1-N 3.39Å; D573-S591 PolarHBondContact OD1-OG 2.87Å; S591-K599 CarbonylContact C-O 3.28Å; S591-K599 WeakPolarHBondContact CA-O 3.46Å
592	S	80.2	Confident	80.5	Confident	51 Å²	51	69.4 Å²	69.4	36%	0.357	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	124.6	170.3	63.2	0	0	0	0	108.8	K599	S592-K599 PolarHBondContact N-O 3.48Å; S592-K599 PolarHBondContact O-N 3.2Å
593	G	68.4	Low	80.2	Confident	53 Å²	53	69.5 Å²	69.5	55%	0.546	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	133.4	179.2	0	0	0	0	0	111.4
594	D	54.4	Low	79.6	Confident	168 Å²	168	65.3 Å²	65.3	90%	0.898	37%	0.365	S	S	*	.	S	Bend	trans	-120.2	73.1	170.3	-146.6	15.3	0	0	0	106.5
595	G	61.6	Low	78.8	Confident	64 Å²	64	71.9 Å²	71.9	66%	0.66	40%	0.399	S	S	*	.	S	Bend	trans	85.7	-141	-172.8	0	0	0	0	0	114.9	N597	G595-N597 PolarHBondContact O-N 3.1Å
596	D	56.7	Low	78.6	Confident	172 Å²	172	72.1 Å²	72.1	92%	0.92	40%	0.402	S	S	*	.	S	Bend	trans	-65.6	-5.1	-170.2	-87.4	-15.5	0	0	0	115.9
597	N	65.4	Low	78.4	Confident	129 Å²	129	73.6 Å²	73.6	69%	0.69	41%	0.414	S	S	*	.			trans	-118.1	100.4	-179.4	-72.9	-30.4	0	0	0	111.2	G595	G595-N597 PolarHBondContact O-N 3.1Å
598	V	79.1	Confident	78.3	Confident	63 Å²	63	73.6 Å²	73.6	38%	0.382	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	127.2	173	-176.9	0	0	0	0	109.4	Y600	V598-Y600 HydrophobicContact CB-CE2 4.47Å; V598-Y600 HydrophobicContact CG1-CE1 4.21Å; V598-Y600 HydrophobicContact CG1-CE2 4Å
599	K	84.8	Confident	78.1	Confident	85 Å²	85	74.2 Å²	74.2	37%	0.37	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	141.6	174.5	-67.6	-168.6	173.8	-171	0	111.6	S591 S592 F608	S591-K599 CarbonylContact C-O 3.28Å; S591-K599 WeakPolarHBondContact CA-O 3.46Å; S592-K599 PolarHBondContact N-O 3.48Å; S592-K599 PolarHBondContact O-N 3.2Å; K599-F608 CarbonylContact C-O 3.59Å; K599-F608 VanDerWaalsContact CA-O 3.3Å; K599-F608 WeakPolarHBondContact CA-O 3.48Å
600	Y	88.2	Confident	78	Confident	35 Å²	35	74.3 Å²	74.3	14%	0.137	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	139.8	-178.8	-60.4	-85.1	0	0	0	111.4	I589 R590 V598 T607 F608 I611	I589-Y600 HydrophobicContact CG2-CD1 4.26Å; R590-Y600 CarbonylContact O-C 3.59Å; R590-Y600 WeakPolarHBondContact O-CA 3.45Å; V598-Y600 HydrophobicContact CB-CE2 4.47Å; V598-Y600 HydrophobicContact CG1-CE1 4.21Å; V598-Y600 HydrophobicContact CG1-CE2 4Å; Y600-T607 CarbonylContact O-C 3.49Å; Y600-T607 WeakPolarHBondContact O-CA 3.39Å; Y600-F608 PolarHBondContact N-O 3.12Å; Y600-F608 PolarHBondContact O-N 3.44Å; Y600-I611 HydrophobicContact CD1-CD1 4.12Å; Y600-I611 HydrophobicContact CD1-CG1 3.54Å; Y600-I611 HydrophobicContact CD2-CG1 4.09Å; Y600-I611 HydrophobicContact CE1-CD1 3.75Å; Y600-I611 HydrophobicContact CE1-CG1 3.6Å; Y600-I611 HydrophobicContact CE2-CG1 4.14Å; Y600-I611 HydrophobicContact CG-CG1 3.78Å
601	Y	87.7	Confident	77.9	Confident	37 Å²	37	70.9 Å²	70.9	15%	0.145	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	151.8	179.7	58.5	-81.2	0	0	0	113.4	R590 D604 L606 T607	R590-Y601 HydrophobicContact CB-CD1 4.38Å; R590-Y601 HydrophobicContact CB-CD2 4.13Å; R590-Y601 HydrophobicContact CB-CE1 3.97Å; R590-Y601 HydrophobicContact CB-CE2 3.72Å; R590-Y601 HydrophobicContact CB-CG 4.44Å; R590-Y601 HydrophobicContact CG-CE2 4.38Å; R590-Y601 PolarHBondContact N-O 3.18Å; R590-Y601 PolarHBondContact O-N 3.28Å; Y601-D604 VanDerWaalsContact CE2-OD1 3.22Å; Y601-D604 WeakPolarHBondContact CE2-OD1 3.43Å; Y601-L606 WeakPolarHBondContact CB-O 3.35Å; Y601-T607 HydrophobicContact CD1-CG2 4.19Å; Y601-T607 HydrophobicContact CG-CG2 4.3Å
602	L	84.2	Confident	78	Confident	16 Å²	16	72.5 Å²	72.5	8%	0.084	41%	0.411	C	S	.	.	S	Bend	trans	-96.2	-41.9	170.2	-73.2	174.5	0	0	0	111.1	L576 C587 R588 I589 R590 L614 Y618 L623	L576-L602 HydrophobicContact CD2-CD1 3.97Å; C587-L602 HydrophobicContact CB-CD2 3.94Å; R588-L602 WeakPolarHBondContact O-CD2 3.47Å; I589-L602 HydrophobicContact CB-CD2 4.35Å; I589-L602 HydrophobicContact CG1-CD2 3.6Å; I589-L602 HydrophobicContact CG1-CG 4.32Å; R590-L602 PolarHBondContact NH2-O 3.46Å; L602-L614 HydrophobicContact CD1-CD2 4.25Å; L602-L614 HydrophobicContact CG-CD2 4.38Å; L602-Y618 HydrophobicContact CB-CE2 4.48Å; L602-Y618 HydrophobicContact CD1-CD2 3.89Å; L602-Y618 HydrophobicContact CD1-CE2 3.59Å; L602-Y618 HydrophobicContact CG-CE2 4.27Å; L602-L623 HydrophobicContact CB-CD1 4.44Å; L602-L623 HydrophobicContact CD1-CD1 3.63Å; L602-L623 HydrophobicContact CD1-CD2 4.31Å
603	T	76.2	Confident	78.3	Confident	50 Å²	50	72.5 Å²	72.5	31%	0.307	41%	0.407	S	S	.	.	S	Bend	trans	-117.8	142.9	177.2	57.3	0	0	0	0	109.8	N605 L606	T603-N605 PolarHBondContact O-N 2.74Å; T603-L606 PolarHBondContact O-N 2.98Å
604	D	72.4	Confident	79.3	Confident	106 Å²	106	70 Å²	70	57%	0.567	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-11.3	-174	-57.3	-68.5	0	0	0	114.3	R590 Y601	R590-D604 IonicContact CZ-OD1 3.42Å; R590-D604 IonicContact CZ-OD2 2.87Å; R590-D604 IonicContact NH1-OD1 2.78Å; R590-D604 PolarHBondContact NH1-OD1 2.96Å; R590-D604 IonicContact NH1-OD2 2.76Å; R590-D604 PolarHBondContact NH1-OD2 3.06Å; R590-D604 IonicContact NH2-OD1 2.86Å; R590-D604 IonicContact NH2-OD2 3.46Å; Y601-D604 VanDerWaalsContact CE2-OD1 3.22Å; Y601-D604 WeakPolarHBondContact CE2-OD1 3.43Å
605	N	74.3	Confident	81	Confident	158 Å²	158	62 Å²	62	85%	0.845	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-11.6	-179.2	-62.4	-17	0	0	0	114.7	T603	T603-N605 PolarHBondContact O-N 2.74Å
606	L	83.5	Confident	82.3	Confident	65 Å²	65	61.4 Å²	61.4	34%	0.34	32%	0.319	S	S	.	.			trans	-141	110.3	-171.5	-156.1	84	0	0	0	110.7	Y601 T603 F608 H617	Y601-L606 WeakPolarHBondContact CB-O 3.35Å; T603-L606 PolarHBondContact O-N 2.98Å; L606-F608 HydrophobicContact CD2-CE1 4.41Å; L606-F608 HydrophobicContact CD2-CE2 3.71Å; L606-F608 HydrophobicContact CD2-CZ 3.36Å; L606-F608 HydrophobicContact CG-CE2 4.03Å; L606-F608 HydrophobicContact CG-CZ 3.91Å; L606-H617 WeakPolarHBondContact CD2-NE2 3.49Å
607	T	86.6	Confident	83.8	Confident	68 Å²	68	56.5 Å²	56.5	42%	0.417	29%	0.29	S	S	.	.			trans	-116.9	145.6	-176.5	63.1	0	0	0	0	112	Y600 Y601	Y600-T607 CarbonylContact O-C 3.49Å; Y600-T607 WeakPolarHBondContact O-CA 3.39Å; Y601-T607 HydrophobicContact CD1-CG2 4.19Å; Y601-T607 HydrophobicContact CG-CG2 4.3Å
608	F	87.2	Confident	84.8	Confident	26 Å²	26	50.7 Å²	50.7	11%	0.114	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-127	151.5	-177.7	-58.5	-89.3	0	0	0	111.3	K599 Y600 L606 S610 D613 L614 H617 Y618	K599-F608 CarbonylContact C-O 3.59Å; K599-F608 VanDerWaalsContact CA-O 3.3Å; K599-F608 WeakPolarHBondContact CA-O 3.48Å; Y600-F608 PolarHBondContact N-O 3.12Å; Y600-F608 PolarHBondContact O-N 3.44Å; L606-F608 HydrophobicContact CD2-CE1 4.41Å; L606-F608 HydrophobicContact CD2-CE2 3.71Å; L606-F608 HydrophobicContact CD2-CZ 3.36Å; L606-F608 HydrophobicContact CG-CE2 4.03Å; L606-F608 HydrophobicContact CG-CZ 3.91Å; F608-S610 VanDerWaalsContact C-N 3.32Å; F608-D613 HydrophobicContact CB-CB 4.45Å; F608-D613 HydrophobicContact CD1-CB 4.28Å; F608-L614 HydrophobicContact CB-CB 3.99Å; F608-L614 HydrophobicContact CD1-CB 4.43Å; F608-L614 HydrophobicContact CD2-CB 3.61Å; F608-L614 HydrophobicContact CD2-CD1 3.78Å; F608-L614 HydrophobicContact CD2-CG 3.65Å; F608-L614 HydrophobicContact CE2-CB 4.14Å; F608-L614 HydrophobicContact CE2-CD1 4.28Å; F608-L614 HydrophobicContact CE2-CG 3.88Å; F608-L614 HydrophobicContact CG-CB 3.75Å; F608-L614 HydrophobicContact CG-CG 4.33Å; F608-H617 HydrophobicContact CE1-CB 3.5Å; F608-H617 VanDerWaalsContact CE1-CB 3.5Å; F608-H617 AromaticContact CE1-CG 3.7Å; F608-H617 HydrophobicContact CZ-CB 3.66Å; F608-H617 AromaticContact CZ-CD2 3.62Å; F608-H617 AromaticContact CZ-CG 3.57Å; F608-Y618 HydrophobicContact CE2-CE2 4.1Å; F608-Y618 HydrophobicContact CZ-CE2 4.44Å
609	D	84.7	Confident	85.2	Confident	107 Å²	107	52 Å²	52	57%	0.572	26%	0.256	S	S	*	.	S	Bend	trans	-81.7	-12.6	-179.2	-58.8	-34.9	0	0	0	112.8
610	S	87.3	Confident	85.2	Confident	2 Å²	2	55.1 Å²	55.1	1%	0.014	27%	0.272	C	S	.	.	S	Bend	trans	-148.9	156.9	173.9	78.3	0	0	0	0	111.8	F608 Y612 D613 L614	F608-S610 VanDerWaalsContact C-N 3.32Å; S610-Y612 PolarHBondContact O-N 3.22Å; S610-Y612 PolarHBondContact OG-N 3.16Å; S610-D613 PolarHBondContact O-N 3.06Å; S610-D613 PolarHBondContact OG-N 2.93Å; S610-D613 PolarHBondContact OG-OD2 3.46Å; S610-L614 PolarHBondContact O-N 3.45Å
611	I	86.9	Confident	84.9	Confident	2 Å²	2	54.9 Å²	54.9	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-61.6	-33.6	171.7	-61.4	169	0	0	0	110.5	H527 W532 V564 C574 Y600 L614 I615	H527-I611 HydrophobicContact CB-CB 4.2Å; H527-I611 HydrophobicContact CB-CG2 4.37Å; W532-I611 HydrophobicContact CH2-CG2 3.99Å; W532-I611 HydrophobicContact CZ3-CG2 3.95Å; V564-I611 HydrophobicContact CG1-CG2 4.4Å; C574-I611 HydrophobicContact CB-CD1 4.43Å; C574-I611 WeakPolarHBondContact SG-CD1 3.32Å; Y600-I611 HydrophobicContact CD1-CD1 4.12Å; Y600-I611 HydrophobicContact CD1-CG1 3.54Å; Y600-I611 HydrophobicContact CD2-CG1 4.09Å; Y600-I611 HydrophobicContact CE1-CD1 3.75Å; Y600-I611 HydrophobicContact CE1-CG1 3.6Å; Y600-I611 HydrophobicContact CE2-CG1 4.14Å; Y600-I611 HydrophobicContact CG-CG1 3.78Å; I611-L614 PolarHBondContact O-N 3.28Å; I611-I615 HydrophobicContact CG2-CG1 4.34Å; I611-I615 WeakPolarHBondContact O-CG1 2.94Å; I611-I615 PolarHBondContact O-N 3.41Å
612	Y	88	Confident	84.6	Confident	65 Å²	65	56.5 Å²	56.5	26%	0.255	29%	0.286	S	S	.	.	H	α-helix	trans	-59.6	-51.4	177.2	178.9	-91.8	0	0	0	111.2	L526 E530 W532 S610 L614 I615 Q616	L526-Y612 HydrophobicContact CB-CD2 4.22Å; L526-Y612 HydrophobicContact CB-CG 4.06Å; L526-Y612 HydrophobicContact CD1-CD1 4.38Å; E530-Y612 HydrophobicContact CG-CD2 3.79Å; E530-Y612 HydrophobicContact CG-CE2 4.01Å; E530-Y612 WeakPolarHBondContact OE1-CE2 3.28Å; W532-Y612 HydrophobicContact CZ2-CD2 4.23Å; S610-Y612 PolarHBondContact O-N 3.22Å; S610-Y612 PolarHBondContact OG-N 3.16Å; Y612-L614 VanDerWaalsContact C-N 3.31Å; Y612-L614 PolarHBondContact O-N 3.45Å; Y612-I615 PolarHBondContact O-N 2.98Å; Y612-Q616 HydrophobicContact CD1-CG 4.08Å; Y612-Q616 HydrophobicContact CE1-CG 3.68Å; Y612-Q616 HydrophobicContact CE2-CG 4.34Å; Y612-Q616 WeakPolarHBondContact O-CG 3.41Å; Y612-Q616 PolarHBondContact O-N 2.67Å
613	D	86.7	Confident	84.5	Confident	51 Å²	51	56 Å²	56	27%	0.273	28%	0.283	S	S	.	.	H	α-helix	trans	-64.2	-37.4	-179.2	-59.5	-46.6	0	0	0	111.7	F608 S610 H617	F608-D613 HydrophobicContact CB-CB 4.45Å; F608-D613 HydrophobicContact CD1-CB 4.28Å; S610-D613 PolarHBondContact O-N 3.06Å; S610-D613 PolarHBondContact OG-N 2.93Å; S610-D613 PolarHBondContact OG-OD2 3.46Å; D613-H617 WeakPolarHBondContact O-CB 3.22Å; D613-H617 PolarHBondContact O-N 3.31Å
614	L	89.7	Confident	84.4	Confident	0 Å²	0	62 Å²	62	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-58.9	-49	174.3	-177	154.8	0	0	0	111.3	I589 L602 F608 S610 I611 Y612 H617 Y618	I589-L614 HydrophobicContact CD1-CD2 4.31Å; I589-L614 HydrophobicContact CG1-CD2 4.5Å; I589-L614 HydrophobicContact CG2-CD1 3.84Å; L602-L614 HydrophobicContact CD1-CD2 4.25Å; L602-L614 HydrophobicContact CG-CD2 4.38Å; F608-L614 HydrophobicContact CB-CB 3.99Å; F608-L614 HydrophobicContact CD1-CB 4.43Å; F608-L614 HydrophobicContact CD2-CB 3.61Å; F608-L614 HydrophobicContact CD2-CD1 3.78Å; F608-L614 HydrophobicContact CD2-CG 3.65Å; F608-L614 HydrophobicContact CE2-CB 4.14Å; F608-L614 HydrophobicContact CE2-CD1 4.28Å; F608-L614 HydrophobicContact CE2-CG 3.88Å; F608-L614 HydrophobicContact CG-CB 3.75Å; F608-L614 HydrophobicContact CG-CG 4.33Å; S610-L614 PolarHBondContact O-N 3.45Å; I611-L614 PolarHBondContact O-N 3.28Å; Y612-L614 VanDerWaalsContact C-N 3.31Å; Y612-L614 PolarHBondContact O-N 3.45Å; L614-H617 PolarHBondContact O-N 2.82Å; L614-Y618 HydrophobicContact CD2-CD2 3.83Å; L614-Y618 HydrophobicContact CD2-CE2 4.06Å; L614-Y618 HydrophobicContact CG-CD2 4.16Å; L614-Y618 HydrophobicContact CG-CE2 4.04Å; L614-Y618 WeakPolarHBondContact O-CD2 3.21Å; L614-Y618 PolarHBondContact O-N 3.28Å
615	I	90.6	Very high	84.1	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-68.2	-44	-178.7	-67.1	-63.1	0	0	0	110.9	W532 F562 V564 L576 I611 Y612 H617 Y618 R619 L632	W532-I615 HydrophobicContact CD2-CG2 4.2Å; W532-I615 HydrophobicContact CE3-CG1 4.27Å; W532-I615 HydrophobicContact CH2-CB 4Å; W532-I615 HydrophobicContact CH2-CG1 3.72Å; W532-I615 HydrophobicContact CH2-CG2 4.35Å; W532-I615 HydrophobicContact CZ2-CB 3.95Å; W532-I615 HydrophobicContact CZ2-CG1 4.17Å; W532-I615 HydrophobicContact CZ2-CG2 3.94Å; W532-I615 HydrophobicContact CZ3-CB 4.46Å; W532-I615 HydrophobicContact CZ3-CG1 3.78Å; F562-I615 HydrophobicContact CE2-CD1 4.21Å; F562-I615 HydrophobicContact CE2-CG2 3.58Å; F562-I615 HydrophobicContact CZ-CG2 3.59Å; V564-I615 HydrophobicContact CG2-CD1 3.64Å; V564-I615 HydrophobicContact CG2-CG1 4.11Å; L576-I615 HydrophobicContact CD1-CD1 3.99Å; I611-I615 HydrophobicContact CG2-CG1 4.34Å; I611-I615 WeakPolarHBondContact O-CG1 2.94Å; I611-I615 PolarHBondContact O-N 3.41Å; Y612-I615 PolarHBondContact O-N 2.98Å; I615-H617 VanDerWaalsContact C-N 3.28Å; I615-H617 PolarHBondContact O-N 2.85Å; I615-Y618 PolarHBondContact O-N 3.19Å; I615-R619 HydrophobicContact CG2-CG 4.47Å; I615-R619 WeakPolarHBondContact O-CG 3.41Å; I615-R619 PolarHBondContact O-N 3.32Å; I615-L632 HydrophobicContact CD1-CD1 3.82Å; I615-L632 HydrophobicContact CG2-CD1 4.32Å
616	Q	87.3	Confident	83.5	Confident	53 Å²	53	57.8 Å²	57.8	25%	0.248	30%	0.298	C	S	.	.	H	α-helix	trans	-58.1	-42.1	176.4	-68	-57.1	-23.7	0	0	111.7	Y612 Y618 R619 E620	Y612-Q616 HydrophobicContact CD1-CG 4.08Å; Y612-Q616 HydrophobicContact CE1-CG 3.68Å; Y612-Q616 HydrophobicContact CE2-CG 4.34Å; Y612-Q616 WeakPolarHBondContact O-CG 3.41Å; Y612-Q616 PolarHBondContact O-N 2.67Å; Q616-Y618 PolarHBondContact O-N 3.19Å; Q616-R619 PolarHBondContact O-N 3.3Å; Q616-E620 PolarHBondContact O-N 2.78Å
617	H	88.1	Confident	82.4	Confident	68 Å²	68	62.5 Å²	62.5	32%	0.315	32%	0.318	S	S	.	.	H	α-helix	trans	-57.7	-48.6	175	179.5	81.6	0	0	0	112.4	L606 F608 D613 L614 I615 R619 E620 A621	L606-H617 WeakPolarHBondContact CD2-NE2 3.49Å; F608-H617 HydrophobicContact CE1-CB 3.5Å; F608-H617 VanDerWaalsContact CE1-CB 3.5Å; F608-H617 AromaticContact CE1-CG 3.7Å; F608-H617 HydrophobicContact CZ-CB 3.66Å; F608-H617 AromaticContact CZ-CD2 3.62Å; F608-H617 AromaticContact CZ-CG 3.57Å; D613-H617 WeakPolarHBondContact O-CB 3.22Å; D613-H617 PolarHBondContact O-N 3.31Å; L614-H617 PolarHBondContact O-N 2.82Å; I615-H617 VanDerWaalsContact C-N 3.28Å; I615-H617 PolarHBondContact O-N 2.85Å; H617-R619 VanDerWaalsContact C-N 3.26Å; H617-R619 PolarHBondContact O-N 3.4Å; H617-E620 PolarHBondContact O-N 3.2Å; H617-E620 VanDerWaalsContact O-N 3.14Å; H617-A621 WeakPolarHBondContact O-CB 3.36Å; H617-A621 PolarHBondContact O-N 3.1Å
618	Y	88.4	Confident	82	Confident	8 Å²	8	60.4 Å²	60.4	3%	0.031	30%	0.304	C	S	.	.	H	α-helix	trans	-78	-4.7	-178.6	-70.5	-63.7	0	0	0	114.8	L602 F608 L614 I615 Q616 A621 L623 L632	L602-Y618 HydrophobicContact CB-CE2 4.48Å; L602-Y618 HydrophobicContact CD1-CD2 3.89Å; L602-Y618 HydrophobicContact CD1-CE2 3.59Å; L602-Y618 HydrophobicContact CG-CE2 4.27Å; F608-Y618 HydrophobicContact CE2-CE2 4.1Å; F608-Y618 HydrophobicContact CZ-CE2 4.44Å; L614-Y618 HydrophobicContact CD2-CD2 3.83Å; L614-Y618 HydrophobicContact CD2-CE2 4.06Å; L614-Y618 HydrophobicContact CG-CD2 4.16Å; L614-Y618 HydrophobicContact CG-CE2 4.04Å; L614-Y618 WeakPolarHBondContact O-CD2 3.21Å; L614-Y618 PolarHBondContact O-N 3.28Å; I615-Y618 PolarHBondContact O-N 3.19Å; Q616-Y618 PolarHBondContact O-N 3.19Å; Y618-A621 CarbonylContact C-O 3.58Å; Y618-A621 WeakPolarHBondContact CA-O 3.15Å; Y618-A621 VanDerWaalsContact O-O 3.11Å; Y618-L623 HydrophobicContact CD1-CB 3.89Å; Y618-L623 HydrophobicContact CD1-CD1 3.99Å; Y618-L623 HydrophobicContact CE1-CB 4.21Å; Y618-L623 HydrophobicContact CE1-CD1 3.6Å; Y618-L623 HydrophobicContact CE2-CD1 4.46Å; Y618-L632 PolarHBondContact O-N 3.5Å
619	R	87.2	Confident	81.7	Confident	90 Å²	90	63.8 Å²	63.8	34%	0.34	32%	0.32	S	S	.	.	H	α-helix	trans	-77.1	-33.1	164.3	-69.4	-179.5	78.3	139.6	10.3	111.7	I615 Q616 H617 L632 T633	I615-R619 HydrophobicContact CG2-CG 4.47Å; I615-R619 WeakPolarHBondContact O-CG 3.41Å; I615-R619 PolarHBondContact O-N 3.32Å; Q616-R619 PolarHBondContact O-N 3.3Å; H617-R619 VanDerWaalsContact C-N 3.26Å; H617-R619 PolarHBondContact O-N 3.4Å; R619-L632 WeakPolarHBondContact CA-O 3.41Å; R619-L632 HydrophobicContact CG-CB 3.89Å; R619-T633 PolarHBondContact NH2-O 3.11Å
620	E	83.5	Confident	81.7	Confident	150 Å²	150	59.3 Å²	59.3	70%	0.701	30%	0.296	S	S	*	.	H	α-helix	trans	-92.9	-41.7	-179.7	-63	-176.5	174.2	0	0	112.5	Q616 H617 R631	Q616-E620 PolarHBondContact O-N 2.78Å; H617-E620 PolarHBondContact O-N 3.2Å; H617-E620 VanDerWaalsContact O-N 3.14Å; E620-R631 PolarHBondContact O-NH1 3.09Å
621	A	82.8	Confident	81.7	Confident	30 Å²	30	64.8 Å²	64.8	25%	0.248	32%	0.316	C	S	.	.	S	Bend	trans	-102.8	152.7	-177.7	0	0	0	0	0	112.2	H617 Y618	H617-A621 WeakPolarHBondContact O-CB 3.36Å; H617-A621 PolarHBondContact O-N 3.1Å; Y618-A621 CarbonylContact C-O 3.58Å; Y618-A621 WeakPolarHBondContact CA-O 3.15Å; Y618-A621 VanDerWaalsContact O-O 3.11Å
622	H	80.8	Confident	81.9	Confident	72 Å²	72	64.9 Å²	64.9	33%	0.333	32%	0.316	S	S	.	.			trans	-77.1	130.8	179	-62.1	102.9	0	0	0	112.4	R624 E629 R631	H622-R624 HydrophobicContact CB-CG 4.4Å; H622-R624 PolarHBondContact O-N 3.39Å; H622-E629 HydrophobicContact CB-CG 3.4Å; H622-E629 VanDerWaalsContact CB-OE1 3.28Å; H622-E629 WeakPolarHBondContact CB-OE1 3.4Å; H622-E629 IonicContact CD2-OE1 3.69Å; H622-E629 IonicContact CE1-OE1 2.77Å; H622-E629 IonicContact CG-OE1 3.81Å; H622-E629 VanDerWaalsContact CG-OE1 3.26Å; H622-E629 IonicContact ND1-OE1 2.78Å; H622-E629 PolarHBondContact ND1-OE1 3.24Å; H622-R631 HydrophobicContact CB-CG 4.43Å; H622-R631 WeakPolarHBondContact CD2-CG 3.41Å; H622-R631 PolarHBondContact CD2-NE 3.25Å; H622-R631 PolarHBondContact CE1-NE 3.5Å; H622-R631 PolarHBondContact CE1-NH2 2.98Å; H622-R631 PolarHBondContact NE2-NE 2.93Å
623	L	81.6	Confident	81.8	Confident	4 Å²	4	63.4 Å²	63.4	2%	0.021	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	111.6	161.8	-176.5	65.7	0	0	0	108.7	F578 L602 Y618 F628 E629 L630	F578-L623 HydrophobicContact CE1-CD2 4.5Å; L602-L623 HydrophobicContact CB-CD1 4.44Å; L602-L623 HydrophobicContact CD1-CD1 3.63Å; L602-L623 HydrophobicContact CD1-CD2 4.31Å; Y618-L623 HydrophobicContact CD1-CB 3.89Å; Y618-L623 HydrophobicContact CD1-CD1 3.99Å; Y618-L623 HydrophobicContact CE1-CB 4.21Å; Y618-L623 HydrophobicContact CE1-CD1 3.6Å; Y618-L623 HydrophobicContact CE2-CD1 4.46Å; L623-F628 HydrophobicContact CD2-CE2 4.36Å; L623-E629 WeakPolarHBondContact O-CA 3.38Å; L623-L630 WeakPolarHBondContact CB-O 3.48Å; L623-L630 PolarHBondContact N-O 2.77Å; L623-L630 PolarHBondContact O-N 2.74Å; L623-L630 VanDerWaalsContact O-N 3.08Å
624	R	74.5	Confident	81.7	Confident	177 Å²	177	64 Å²	64	67%	0.668	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.5	113.1	-179.2	-69.9	177.2	177.3	-178.2	-3.2	110.5	H622 E629	H622-R624 HydrophobicContact CB-CG 4.4Å; H622-R624 PolarHBondContact O-N 3.39Å; R624-E629 HydrophobicContact CG-CG 3.9Å; R624-E629 IonicContact CZ-OE1 2.63Å; R624-E629 VanDerWaalsContact CZ-OE1 3.26Å; R624-E629 IonicContact NE-OE1 2.7Å; R624-E629 PolarHBondContact NE-OE1 3.46Å; R624-E629 IonicContact NH2-OE1 3.86Å; R624-E629 PolarHBondContact NH2-OE1 2.96Å
625	C	67.4	Low	81.6	Confident	60 Å²	60	65.1 Å²	65.1	41%	0.405	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	161.9	167.2	-95	0	0	0	0	109.5	E627 F628	C625-E627 PolarHBondContact O-N 2.95Å; C625-F628 HydrophobicContact CB-CD1 3.88Å; C625-F628 HydrophobicContact CB-CE1 3.65Å; C625-F628 HydrophobicContact CB-CE2 4.43Å; C625-F628 HydrophobicContact CB-CG 4.38Å; C625-F628 HydrophobicContact CB-CZ 3.93Å; C625-F628 PolarHBondContact N-O 3.09Å; C625-F628 PolarHBondContact O-N 2.88Å; C625-F628 VanDerWaalsContact O-N 3.11Å
626	A	61.5	Low	81.4	Confident	116 Å²	116	65.3 Å²	65.3	96%	0.959	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-20.9	179.8	0	0	0	0	0	113.8
627	E	60.2	Low	81.1	Confident	163 Å²	163	64.2 Å²	64.2	76%	0.762	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	-7.6	-176.3	-62.2	177.2	-180	0	0	113.9	R580 C625	R580-E627 PolarHBondContact NH2-O 3.24Å; C625-E627 PolarHBondContact O-N 2.95Å
628	F	77.5	Confident	80.6	Confident	24 Å²	24	62.9 Å²	62.9	11%	0.105	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.7	161.7	-177.2	65.9	-87.9	0	0	0	116.8	F578 R580 L623 C625 L630	F578-F628 HydrophobicContact CE2-CE2 4.03Å; F578-F628 HydrophobicContact CE2-CZ 4.2Å; F578-F628 AromaticContact CZ-CE2 3.8Å; F578-F628 HydrophobicContact CZ-CE2 3.8Å; F578-F628 AromaticContact CZ-CZ 3.6Å; F578-F628 HydrophobicContact CZ-CZ 3.6Å; R580-F628 VanDerWaalsContact NH1-CB 3.29Å; R580-F628 VanDerWaalsContact NH1-CG 3.29Å; R580-F628 VanDerWaalsContact NH2-CB 3.25Å; L623-F628 HydrophobicContact CD2-CE2 4.36Å; C625-F628 HydrophobicContact CB-CD1 3.88Å; C625-F628 HydrophobicContact CB-CE1 3.65Å; C625-F628 HydrophobicContact CB-CE2 4.43Å; C625-F628 HydrophobicContact CB-CG 4.38Å; C625-F628 HydrophobicContact CB-CZ 3.93Å; C625-F628 PolarHBondContact N-O 3.09Å; C625-F628 PolarHBondContact O-N 2.88Å; C625-F628 VanDerWaalsContact O-N 3.11Å; F628-L630 HydrophobicContact CD2-CB 3.93Å; F628-L630 HydrophobicContact CE2-CB 4.25Å
629	E	80.3	Confident	79.7	Confident	98 Å²	98	63.6 Å²	63.6	46%	0.458	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	125.1	169.1	-171.4	170.3	-162.4	0	0	109	H622 L623 R624	H622-E629 HydrophobicContact CB-CG 3.4Å; H622-E629 VanDerWaalsContact CB-OE1 3.28Å; H622-E629 WeakPolarHBondContact CB-OE1 3.4Å; H622-E629 IonicContact CD2-OE1 3.69Å; H622-E629 IonicContact CE1-OE1 2.77Å; H622-E629 IonicContact CG-OE1 3.81Å; H622-E629 VanDerWaalsContact CG-OE1 3.26Å; H622-E629 IonicContact ND1-OE1 2.78Å; H622-E629 PolarHBondContact ND1-OE1 3.24Å; L623-E629 WeakPolarHBondContact O-CA 3.38Å; R624-E629 HydrophobicContact CG-CG 3.9Å; R624-E629 IonicContact CZ-OE1 2.63Å; R624-E629 VanDerWaalsContact CZ-OE1 3.26Å; R624-E629 IonicContact NE-OE1 2.7Å; R624-E629 PolarHBondContact NE-OE1 3.46Å; R624-E629 IonicContact NH2-OE1 3.86Å; R624-E629 PolarHBondContact NH2-OE1 2.96Å
630	L	85.6	Confident	79.2	Confident	12 Å²	12	61.1 Å²	61.1	6%	0.063	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	145.2	-175	175.2	142.4	0	0	0	111.5	D559 F578 R580 L623 F628 L632	D559-L630 HydrophobicContact CB-CD1 4.11Å; F578-L630 HydrophobicContact CD2-CD1 4.03Å; F578-L630 HydrophobicContact CD2-CD2 3.8Å; F578-L630 HydrophobicContact CE2-CD1 4.11Å; F578-L630 HydrophobicContact CE2-CD2 4.04Å; F578-L630 HydrophobicContact CG-CD2 4.43Å; R580-L630 HydrophobicContact CB-CD1 4.19Å; R580-L630 HydrophobicContact CG-CD1 4.15Å; L623-L630 WeakPolarHBondContact CB-O 3.48Å; L623-L630 PolarHBondContact N-O 2.77Å; L623-L630 PolarHBondContact O-N 2.74Å; L623-L630 VanDerWaalsContact O-N 3.08Å; F628-L630 HydrophobicContact CD2-CB 3.93Å; F628-L630 HydrophobicContact CE2-CB 4.25Å; L630-L632 HydrophobicContact CD2-CD2 4.4Å
631	R	88.2	Confident	79	Confident	117 Å²	117	55.5 Å²	55.5	44%	0.442	30%	0.3	S	S	.	.			trans	-105.3	149.5	170.2	-58.7	-172.4	-166.8	-175.3	0.2	110.2	G560 E620 H622	G560-R631 WeakPolarHBondContact CA-O 3.48Å; E620-R631 PolarHBondContact O-NH1 3.09Å; H622-R631 HydrophobicContact CB-CG 4.43Å; H622-R631 WeakPolarHBondContact CD2-CG 3.41Å; H622-R631 PolarHBondContact CD2-NE 3.25Å; H622-R631 PolarHBondContact CE1-NE 3.5Å; H622-R631 PolarHBondContact CE1-NH2 2.98Å; H622-R631 PolarHBondContact NE2-NE 2.93Å
632	L	89.6	Confident	79	Confident	4 Å²	4	54.2 Å²	54.2	2%	0.021	29%	0.288	C	S	.	.			trans	-74.6	127.5	171.6	-61.5	-177.6	0	0	0	109.8	G560 F562 L576 F578 I615 Y618 R619 L630	G560-L632 WeakPolarHBondContact O-CA 3.16Å; F562-L632 HydrophobicContact CB-CD2 3.87Å; F562-L632 HydrophobicContact CD1-CB 3.74Å; F562-L632 HydrophobicContact CD1-CD1 4.45Å; F562-L632 HydrophobicContact CD1-CD2 4.13Å; F562-L632 HydrophobicContact CD1-CG 4.32Å; F562-L632 HydrophobicContact CD2-CD1 4.13Å; F562-L632 HydrophobicContact CD2-CD2 4.44Å; F562-L632 HydrophobicContact CE1-CB 3.79Å; F562-L632 HydrophobicContact CE1-CD1 4.48Å; F562-L632 HydrophobicContact CE2-CD1 4.16Å; F562-L632 HydrophobicContact CG-CB 4.29Å; F562-L632 HydrophobicContact CG-CD1 4.27Å; F562-L632 HydrophobicContact CG-CD2 3.89Å; F562-L632 HydrophobicContact CG-CG 4.38Å; F562-L632 HydrophobicContact CZ-CB 4.38Å; F562-L632 HydrophobicContact CZ-CD1 4.33Å; L576-L632 HydrophobicContact CD1-CD1 4.15Å; L576-L632 HydrophobicContact CD1-CD2 4.21Å; L576-L632 HydrophobicContact CD2-CD1 4.17Å; L576-L632 HydrophobicContact CD2-CD2 4.19Å; F578-L632 HydrophobicContact CB-CD2 4.39Å; I615-L632 HydrophobicContact CD1-CD1 3.82Å; I615-L632 HydrophobicContact CG2-CD1 4.32Å; Y618-L632 PolarHBondContact O-N 3.5Å; R619-L632 WeakPolarHBondContact CA-O 3.41Å; R619-L632 HydrophobicContact CG-CB 3.89Å; L630-L632 HydrophobicContact CD2-CD2 4.4Å
633	T	87.3	Confident	79.2	Confident	34 Å²	34	56.8 Å²	56.8	21%	0.209	30%	0.3	C	S	.	.			trans	-111.7	-100.3	-174.8	52	0	0	0	0	110.5	Q558 D559 G560 T561 R619	Q558-T633 HydrophobicContact CG-CG2 4.47Å; D559-T633 PolarHBondContact O-OG1 3.49Å; G560-T633 PolarHBondContact O-N 3.26Å; G560-T633 PolarHBondContact O-OG1 2.73Å; T561-T633 PolarHBondContact N-OG1 3.25Å; T561-T633 VanDerWaalsContact N-OG1 3.07Å; R619-T633 PolarHBondContact NH2-O 3.11Å
634	D	84.6	Confident	79.1	Confident	63 Å²	63	62 Å²	62	34%	0.337	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-81.8	131.7	-174.9	-63.9	-44.4	0	0	0	111.5	Y551 Q558 T561 F562	Y551-D634 HydrophobicContact CE1-CB 4.25Å; Q558-D634 PolarHBondContact NE2-OD2 3.23Å; T561-D634 CarbonylContact C-O 3.47Å; T561-D634 WeakPolarHBondContact CA-O 3.23Å; T561-D634 HydrophobicContact CG2-CB 4.14Å; T561-D634 WeakPolarHBondContact CG2-O 3.18Å; F562-D634 WeakPolarHBondContact CD1-O 3.21Å; F562-D634 PolarHBondContact N-O 3.25Å
635	A	86.9	Confident	79.6	Confident	25 Å²	25	57.6 Å²	57.6	21%	0.207	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-84.2	123.5	176.4	0	0	0	0	0	110	W532 F562 P637	W532-A635 HydrophobicContact CB-CB 3.76Å; W532-A635 HydrophobicContact CG-CB 4.33Å; F562-A635 HydrophobicContact CE1-CB 4.32Å; F562-A635 HydrophobicContact CZ-CB 4.39Å; A635-P637 WeakPolarHBondContact O-CD 3.15Å
636	V	85.4	Confident	80.4	Confident	4 Å²	4	60.7 Å²	60.7	2%	0.024	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-76.9	117.2	172	-177.5	0	0	0	0	108.5	H534 L548 Y551 T561 F562 L563	H534-V636 PolarHBondContact NE2-O 3.17Å; L548-V636 HydrophobicContact CD2-CG2 3.65Å; L548-V636 HydrophobicContact CG-CG2 4.04Å; Y551-V636 HydrophobicContact CD1-CG2 3.98Å; Y551-V636 HydrophobicContact CD2-CG1 4.16Å; Y551-V636 HydrophobicContact CD2-CG2 4.44Å; Y551-V636 HydrophobicContact CG-CB 4.5Å; Y551-V636 HydrophobicContact CG-CG1 4.19Å; Y551-V636 HydrophobicContact CG-CG2 3.94Å; T561-V636 HydrophobicContact CG2-CG2 3.67Å; F562-V636 PolarHBondContact O-N 3.16Å; L563-V636 HydrophobicContact CB-CB 4.24Å; L563-V636 HydrophobicContact CD2-CB 4.31Å; L563-V636 HydrophobicContact CD2-CG1 4.32Å
637	P	81	Confident	81.8	Confident	29 Å²	29	56.1 Å²	56.1	19%	0.188	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-69.4	145.3	-179	28.1	-32.9	0	0	0	111.6	K531 H534 Y551 A635 P639	K531-P637 HydrophobicContact CB-CB 4.31Å; K531-P637 CarbonylContact O-C 3.43Å; K531-P637 VanDerWaalsContact O-CA 3.26Å; K531-P637 WeakPolarHBondContact O-CA 3.44Å; H534-P637 PolarHBondContact CE1-O 3.01Å; Y551-P637 HydrophobicContact CE2-CG 4.47Å; A635-P637 WeakPolarHBondContact O-CD 3.15Å; P637-P639 WeakPolarHBondContact O-CD 3.11Å
638	N	79.1	Confident	83.4	Confident	41 Å²	41	49.6 Å²	49.6	22%	0.219	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-66.9	119.7	168.5	-176.4	-9	0	0	0	109.7	K531 H534 S640 P641	K531-N638 PolarHBondContact O-N 2.82Å; H534-N638 PolarHBondContact NE2-N 3.03Å; N638-S640 PolarHBondContact OD1-N 3.47Å; N638-P641 VanDerWaalsContact O-CD 3.3Å; N638-P641 WeakPolarHBondContact O-CD 3.23Å
639	P	68.6	Low	84	Confident	22 Å²	22	50.2 Å²	50.2	14%	0.143	26%	0.259	C	S	.	.	S	Bend	trans	-80.4	-19.3	179.9	32.2	-34.9	0	0	0	113.4	L547 P637 P641 F703	L547-P639 HydrophobicContact CD1-CG 4.41Å; L547-P639 HydrophobicContact CD2-CG 3.91Å; P637-P639 WeakPolarHBondContact O-CD 3.11Å; P639-P641 WeakPolarHBondContact O-CD 3.49Å; P639-F703 WeakPolarHBondContact O-CE2 3.33Å
640	S	76.9	Confident	84.4	Confident	38 Å²	38	49.6 Å²	49.6	27%	0.266	27%	0.266	S	S	.	.			trans	-117.3	39	-174.6	-57.8	0	0	0	0	115.5	N638 H642 E643	N638-S640 PolarHBondContact OD1-N 3.47Å; S640-H642 PolarHBondContact O-N 3.05Å; S640-H642 VanDerWaalsContact O-N 3.07Å; S640-E643 PolarHBondContact O-N 3.37Å
641	P	79	Confident	84.5	Confident	33 Å²	33	56 Å²	56	21%	0.214	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-66.6	-15.1	-179.4	30	-35.2	0	0	0	112.7	N638 P639 E643 T644 V715	N638-P641 VanDerWaalsContact O-CD 3.3Å; N638-P641 WeakPolarHBondContact O-CD 3.23Å; P639-P641 WeakPolarHBondContact O-CD 3.49Å; P641-E643 VanDerWaalsContact C-N 3.31Å; P641-E643 PolarHBondContact O-N 3.25Å; P641-T644 PolarHBondContact O-OG1 3.05Å; P641-V715 HydrophobicContact CB-CG2 4.02Å; P641-V715 HydrophobicContact CG-CB 4.28Å; P641-V715 HydrophobicContact CG-CG2 3.79Å
642	H	83.6	Confident	84.6	Confident	2 Å²	2	51.2 Å²	51.2	1%	0.009	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-71	-21.5	178.8	59.1	-93	0	0	0	113.5	S640 T644 K645 W647 Y648 F681 F703 L714 V715	S640-H642 PolarHBondContact O-N 3.05Å; S640-H642 VanDerWaalsContact O-N 3.07Å; H642-T644 PolarHBondContact O-N 3.32Å; H642-T644 VanDerWaalsContact O-N 3.11Å; H642-K645 WeakPolarHBondContact O-CB 3.41Å; H642-K645 PolarHBondContact O-N 3.17Å; H642-W647 HydrophobicContact CB-CH2 3.69Å; H642-W647 HydrophobicContact CB-CZ3 4.05Å; H642-Y648 AromaticContact CD2-CD2 3.66Å; H642-Y648 AromaticContact CD2-CE1 3.84Å; H642-Y648 AromaticContact CD2-CE2 3.5Å; H642-Y648 AromaticContact CD2-CG 3.9Å; H642-Y648 AromaticContact CD2-CZ 3.58Å; H642-Y648 AromaticContact NE2-CE2 3.98Å; H642-Y648 AromaticContact NE2-CZ 3.86Å; H642-Y648 VanDerWaalsContact O-CB 3.23Å; H642-Y648 WeakPolarHBondContact O-CB 3.44Å; H642-F681 AromaticContact NE2-CE1 4Å; H642-F703 AromaticContact CE1-CZ 3.96Å; H642-L714 HydrophobicContact CB-CB 3.87Å; H642-L714 HydrophobicContact CB-CD1 4.3Å; H642-V715 HydrophobicContact CB-CG2 4.12Å
643	E	84.3	Confident	84.7	Confident	126 Å²	126	53.7 Å²	53.7	59%	0.589	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-63.6	-19.1	-179.7	-68.1	-174.5	174.9	0	0	113.3	S640 P641 Y648	S640-E643 PolarHBondContact O-N 3.37Å; P641-E643 VanDerWaalsContact C-N 3.31Å; P641-E643 PolarHBondContact O-N 3.25Å; E643-Y648 HydrophobicContact CG-CE1 4.08Å
644	T	80.3	Confident	84.7	Confident	114 Å²	114	59 Å²	59	70%	0.699	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-97	5.1	177	63.2	0	0	0	0	113.5	P641 H642	P641-T644 PolarHBondContact O-OG1 3.05Å; H642-T644 PolarHBondContact O-N 3.32Å; H642-T644 VanDerWaalsContact O-N 3.11Å
645	K	85.5	Confident	84.6	Confident	85 Å²	85	58.1 Å²	58.1	37%	0.37	32%	0.322	S	S	.	.			trans	-99.2	136.5	-174.4	-61.3	-62.9	-176.6	-175.9	0	111	H642 W647 Y648 V715	H642-K645 WeakPolarHBondContact O-CB 3.41Å; H642-K645 PolarHBondContact O-N 3.17Å; K645-W647 HydrophobicContact CB-CD2 3.87Å; K645-W647 VanDerWaalsContact CB-CE2 3.49Å; K645-W647 HydrophobicContact CB-CE3 4.42Å; K645-W647 HydrophobicContact CB-CG 4.29Å; K645-W647 HydrophobicContact CB-CH2 4.32Å; K645-W647 HydrophobicContact CB-CZ2 3.77Å; K645-W647 HydrophobicContact CG-CH2 4.33Å; K645-W647 HydrophobicContact CG-CZ2 3.67Å; K645-W647 PolarHBondContact O-N 3.12Å; K645-Y648 WeakPolarHBondContact O-CB 3.15Å; K645-Y648 PolarHBondContact O-N 3.08Å; K645-V715 HydrophobicContact CG-CG2 4.08Å
646	D	83.8	Confident	84.7	Confident	124 Å²	124	61.8 Å²	61.8	66%	0.663	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-19	-174.3	-47.1	-33.4	0	0	0	113.4	Y648 T737	D646-Y648 VanDerWaalsContact C-N 3.34Å; D646-T737 HydrophobicContact CB-CG2 3.65Å
647	W	90.7	Very high	84.8	Confident	21 Å²	21	61.6 Å²	61.6	8%	0.08	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-3.9	173.9	49.1	-106.7	0	0	0	114.1	H642 K645 F670 L671 I672 L714 V715 V718 P735	H642-W647 HydrophobicContact CB-CH2 3.69Å; H642-W647 HydrophobicContact CB-CZ3 4.05Å; K645-W647 HydrophobicContact CB-CD2 3.87Å; K645-W647 VanDerWaalsContact CB-CE2 3.49Å; K645-W647 HydrophobicContact CB-CE3 4.42Å; K645-W647 HydrophobicContact CB-CG 4.29Å; K645-W647 HydrophobicContact CB-CH2 4.32Å; K645-W647 HydrophobicContact CB-CZ2 3.77Å; K645-W647 HydrophobicContact CG-CH2 4.33Å; K645-W647 HydrophobicContact CG-CZ2 3.67Å; K645-W647 PolarHBondContact O-N 3.12Å; W647-F670 HydrophobicContact CB-CE2 4.14Å; W647-F670 HydrophobicContact CB-CZ 4.44Å; W647-F670 HydrophobicContact CD2-CE2 4.41Å; W647-F670 HydrophobicContact CG-CE2 4.11Å; W647-F670 HydrophobicContact CG-CZ 4.35Å; W647-L671 WeakPolarHBondContact O-CA 3.45Å; W647-I672 HydrophobicContact CE3-CB 3.97Å; W647-I672 HydrophobicContact CE3-CD1 4.12Å; W647-I672 HydrophobicContact CE3-CG1 4.01Å; W647-I672 HydrophobicContact CH2-CD1 4.38Å; W647-I672 HydrophobicContact CZ3-CB 3.97Å; W647-I672 HydrophobicContact CZ3-CD1 3.68Å; W647-I672 HydrophobicContact CZ3-CG1 4.02Å; W647-I672 PolarHBondContact O-N 3.26Å; W647-L714 HydrophobicContact CH2-CB 4.16Å; W647-L714 HydrophobicContact CZ3-CB 4.48Å; W647-V715 HydrophobicContact CH2-CG2 4.21Å; W647-V715 HydrophobicContact CZ2-CG2 4.05Å; W647-V718 HydrophobicContact CD2-CG2 4.37Å; W647-V718 HydrophobicContact CE3-CG2 4.32Å; W647-V718 HydrophobicContact CH2-CB 4.48Å; W647-V718 HydrophobicContact CH2-CG2 3.78Å; W647-V718 HydrophobicContact CZ2-CB 4.07Å; W647-V718 HydrophobicContact CZ2-CG1 4.4Å; W647-V718 HydrophobicContact CZ2-CG2 3.78Å; W647-V718 HydrophobicContact CZ3-CG2 4.07Å; W647-P735 HydrophobicContact CB-CB 3.73Å; W647-P735 HydrophobicContact CG-CB 4.34Å
648	Y	93.1	Very high	85.2	Confident	25 Å²	25	63.3 Å²	63.3	10%	0.098	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	131.4	-177.4	175.5	-103.9	0	0	0	112.2	H642 E643 K645 D646 I672 F681	H642-Y648 AromaticContact CD2-CD2 3.66Å; H642-Y648 AromaticContact CD2-CE1 3.84Å; H642-Y648 AromaticContact CD2-CE2 3.5Å; H642-Y648 AromaticContact CD2-CG 3.9Å; H642-Y648 AromaticContact CD2-CZ 3.58Å; H642-Y648 AromaticContact NE2-CE2 3.98Å; H642-Y648 AromaticContact NE2-CZ 3.86Å; H642-Y648 VanDerWaalsContact O-CB 3.23Å; H642-Y648 WeakPolarHBondContact O-CB 3.44Å; E643-Y648 HydrophobicContact CG-CE1 4.08Å; K645-Y648 WeakPolarHBondContact O-CB 3.15Å; K645-Y648 PolarHBondContact O-N 3.08Å; D646-Y648 VanDerWaalsContact C-N 3.34Å; Y648-I672 CarbonylContact C-O 3.55Å; Y648-I672 WeakPolarHBondContact CA-O 3.12Å; Y648-I672 HydrophobicContact CD2-CB 4.49Å; Y648-I672 HydrophobicContact CD2-CG2 4.27Å; Y648-F681 AromaticContact CE2-CD1 3.99Å; Y648-F681 HydrophobicContact CE2-CD1 3.99Å; Y648-F681 AromaticContact CE2-CE1 3.93Å; Y648-F681 HydrophobicContact CE2-CE1 3.93Å
649	Y	91.3	Very high	85.5	Confident	37 Å²	37	64.7 Å²	64.7	15%	0.145	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	114.6	179.6	-65.5	-93.1	0	0	0	111	N651 L652 M660 L671 I672 R673 K674 V736	Y649-N651 VanDerWaalsContact C-N 3.3Å; Y649-N651 PolarHBondContact O-N 2.86Å; Y649-L652 HydrophobicContact CD1-CD2 4.26Å; Y649-L652 HydrophobicContact CD2-CD2 4.11Å; Y649-L652 HydrophobicContact CG-CB 4.29Å; Y649-L652 HydrophobicContact CG-CD2 3.86Å; Y649-M660 HydrophobicContact CE1-CE 3.94Å; Y649-M660 HydrophobicContact CE2-CE 4.39Å; Y649-M660 WeakPolarHBondContact OH-CE 3.41Å; Y649-L671 HydrophobicContact CD2-CB 3.99Å; Y649-L671 HydrophobicContact CD2-CD1 4.27Å; Y649-L671 HydrophobicContact CD2-CD2 4.3Å; Y649-L671 HydrophobicContact CD2-CG 4.42Å; Y649-L671 HydrophobicContact CE2-CB 3.86Å; Y649-L671 HydrophobicContact CE2-CD2 4.06Å; Y649-L671 HydrophobicContact CE2-CG 4.45Å; Y649-I672 PolarHBondContact N-O 3.34Å; Y649-R673 CarbonylContact O-C 3.54Å; Y649-R673 VanDerWaalsContact O-CA 3.26Å; Y649-R673 WeakPolarHBondContact O-CA 3.31Å; Y649-K674 PolarHBondContact O-N 3.25Å; Y649-V736 PolarHBondContact OH-O 3.1Å
650	S	88	Confident	86.4	Confident	86 Å²	86	64.7 Å²	64.7	60%	0.601	35%	0.346	S	S	*	.	S	Bend	trans	-74.4	-20.5	179.6	60.5	0	0	0	0	113.7
651	N	88.1	Confident	86.8	Confident	145 Å²	145	62.9 Å²	62.9	78%	0.775	33%	0.333	S	S	*	.	S	Bend	trans	-145.6	84.6	-178.4	-173.3	30.4	0	0	0	109.7	Y649	Y649-N651 VanDerWaalsContact C-N 3.3Å; Y649-N651 PolarHBondContact O-N 2.86Å
652	L	90.4	Very high	86.9	Confident	18 Å²	18	66.3 Å²	66.3	9%	0.094	35%	0.347	C	S	.	.			trans	-143.1	125.3	177.7	-171.9	73.4	0	0	0	109.2	Y649 E656 A657 M660 L671 R673	Y649-L652 HydrophobicContact CD1-CD2 4.26Å; Y649-L652 HydrophobicContact CD2-CD2 4.11Å; Y649-L652 HydrophobicContact CG-CB 4.29Å; Y649-L652 HydrophobicContact CG-CD2 3.86Å; L652-E656 HydrophobicContact CD1-CB 3.6Å; L652-E656 HydrophobicContact CG-CB 4.21Å; L652-A657 HydrophobicContact CD2-CB 3.8Å; L652-A657 HydrophobicContact CG-CB 4.32Å; L652-M660 HydrophobicContact CD1-SD 3.76Å; L652-M660 HydrophobicContact CD2-SD 3.91Å; L652-M660 HydrophobicContact CG-SD 4.47Å; L652-L671 HydrophobicContact CD2-CD1 3.77Å; L652-L671 HydrophobicContact CD2-CD2 3.82Å; L652-L671 HydrophobicContact CD2-CG 4.49Å; L652-R673 HydrophobicContact CB-CB 4.11Å; L652-R673 WeakPolarHBondContact O-CD 3.45Å
653	S	90.3	Very high	86.7	Confident	56 Å²	56	72.1 Å²	72.1	39%	0.392	37%	0.369	S	S	.	.			trans	-72.8	167.1	178.5	73.1	0	0	0	0	111.4	E656 A657	S653-E656 WeakPolarHBondContact CB-OE2 3.26Å; S653-E656 PolarHBondContact N-OE2 3.29Å; S653-E656 WeakPolarHBondContact OG-CB 3.35Å; S653-E656 VanDerWaalsContact OG-CD 3.22Å; S653-E656 VanDerWaalsContact OG-CG 3.24Å; S653-E656 WeakPolarHBondContact OG-CG 3.45Å; S653-E656 PolarHBondContact OG-N 2.55Å; S653-E656 PolarHBondContact OG-OE2 2.49Å; S653-A657 WeakPolarHBondContact O-CB 3.48Å; S653-A657 PolarHBondContact O-N 2.96Å
654	R	87.1	Confident	86.3	Confident	146 Å²	146	66.2 Å²	66.2	55%	0.551	34%	0.341	S	S	*	.	H	α-helix	trans	-61.8	-44.8	174.6	-177.8	178.8	170.5	172.6	-2.9	111.7	A657 E658	R654-A657 PolarHBondContact O-N 3.2Å; R654-E658 IonicContact CZ-OE1 3.14Å; R654-E658 IonicContact NE-OE1 3.96Å; R654-E658 PolarHBondContact NE-OE1 2.82Å; R654-E658 IonicContact NH2-OE1 3.23Å; R654-E658 PolarHBondContact NH2-OE1 2.85Å; R654-E658 WeakPolarHBondContact O-CG 3.35Å; R654-E658 PolarHBondContact O-N 3.27Å
655	G	84	Confident	86	Confident	43 Å²	43	63.7 Å²	63.7	44%	0.443	33%	0.327	S	S	.	.	H	α-helix	trans	-67	-41.2	-176.8	0	0	0	0	0	112.7	A657 E658 D659	G655-A657 VanDerWaalsContact C-N 3.34Å; G655-A657 PolarHBondContact O-N 3.2Å; G655-E658 PolarHBondContact O-N 2.6Å; G655-D659 PolarHBondContact O-N 2.82Å
656	E	88.2	Confident	85.3	Confident	103 Å²	103	62.9 Å²	62.9	48%	0.481	32%	0.322	S	S	.	.	H	α-helix	trans	-63.5	-41.3	175.2	-68.3	160.9	143.3	0	0	111.4	L652 S653 D659 M660	L652-E656 HydrophobicContact CD1-CB 3.6Å; L652-E656 HydrophobicContact CG-CB 4.21Å; S653-E656 WeakPolarHBondContact CB-OE2 3.26Å; S653-E656 PolarHBondContact N-OE2 3.29Å; S653-E656 WeakPolarHBondContact OG-CB 3.35Å; S653-E656 VanDerWaalsContact OG-CD 3.22Å; S653-E656 VanDerWaalsContact OG-CG 3.24Å; S653-E656 WeakPolarHBondContact OG-CG 3.45Å; S653-E656 PolarHBondContact OG-N 2.55Å; S653-E656 PolarHBondContact OG-OE2 2.49Å; E656-D659 PolarHBondContact O-N 2.93Å; E656-M660 WeakPolarHBondContact O-CB 3.35Å; E656-M660 WeakPolarHBondContact O-CG 3.5Å; E656-M660 PolarHBondContact O-N 2.94Å
657	A	88.2	Confident	85.1	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-63	-42.9	174.6	0	0	0	0	0	112.3	L652 S653 R654 G655 M660 L661 L671 T684	L652-A657 HydrophobicContact CD2-CB 3.8Å; L652-A657 HydrophobicContact CG-CB 4.32Å; S653-A657 WeakPolarHBondContact O-CB 3.48Å; S653-A657 PolarHBondContact O-N 2.96Å; R654-A657 PolarHBondContact O-N 3.2Å; G655-A657 VanDerWaalsContact C-N 3.34Å; G655-A657 PolarHBondContact O-N 3.2Å; A657-M660 PolarHBondContact O-N 2.99Å; A657-L661 WeakPolarHBondContact O-CD1 2.81Å; A657-L661 PolarHBondContact O-N 2.94Å; A657-L671 HydrophobicContact CB-CD1 4.02Å; A657-L671 HydrophobicContact CB-CD2 4.33Å; A657-T684 HydrophobicContact CB-CG2 4.03Å
658	E	89.5	Confident	84.5	Confident	64 Å²	64	59 Å²	59	30%	0.299	30%	0.303	S	S	.	.	H	α-helix	trans	-59.8	-45.7	175	-72.2	174.6	-175	0	0	111.3	R654 G655 L661 M662 V691 H693	R654-E658 IonicContact CZ-OE1 3.14Å; R654-E658 IonicContact NE-OE1 3.96Å; R654-E658 PolarHBondContact NE-OE1 2.82Å; R654-E658 IonicContact NH2-OE1 3.23Å; R654-E658 PolarHBondContact NH2-OE1 2.85Å; R654-E658 WeakPolarHBondContact O-CG 3.35Å; R654-E658 PolarHBondContact O-N 3.27Å; G655-E658 PolarHBondContact O-N 2.6Å; E658-L661 PolarHBondContact O-N 3.32Å; E658-M662 WeakPolarHBondContact O-CB 3.49Å; E658-M662 VanDerWaalsContact O-CG 3.23Å; E658-M662 WeakPolarHBondContact O-CG 3.38Å; E658-M662 PolarHBondContact O-N 2.91Å; E658-V691 HydrophobicContact CG-CB 4.33Å; E658-V691 HydrophobicContact CG-CG1 3.97Å; E658-H693 WeakPolarHBondContact CG-CE1 3.33Å; E658-H693 WeakPolarHBondContact CG-NE2 3.45Å; E658-H693 IonicContact OE1-CD2 2.91Å; E658-H693 IonicContact OE1-CE1 3.74Å; E658-H693 IonicContact OE1-NE2 2.64Å; E658-H693 PolarHBondContact OE1-NE2 3.3Å
659	D	84.7	Confident	84.2	Confident	70 Å²	70	57.8 Å²	57.8	37%	0.374	30%	0.298	S	S	.	.	H	α-helix	trans	-61.9	-48.6	177.4	179.6	48.6	0	0	0	112.1	G655 E656 L661 M662 R663	G655-D659 PolarHBondContact O-N 2.82Å; E656-D659 PolarHBondContact O-N 2.93Å; D659-L661 VanDerWaalsContact C-N 3.3Å; D659-L661 PolarHBondContact O-N 3.07Å; D659-M662 PolarHBondContact O-N 3.46Å; D659-R663 VanDerWaalsContact O-CG 3.29Å; D659-R663 WeakPolarHBondContact O-CG 3.4Å; D659-R663 PolarHBondContact O-N 2.88Å; D659-R663 VanDerWaalsContact O-N 3.11Å; D659-R663 IonicContact OD1-CZ 2.86Å; D659-R663 IonicContact OD1-NE 3.01Å; D659-R663 PolarHBondContact OD1-NE 2.83Å; D659-R663 IonicContact OD1-NH2 3.36Å; D659-R663 IonicContact OD2-CZ 3.96Å; D659-R663 VanDerWaalsContact OD2-CZ 3.23Å; D659-R663 IonicContact OD2-NE 3.31Å; D659-R663 PolarHBondContact OD2-NE 2.88Å; D659-R663 VanDerWaalsContact OD2-NE 3.14Å; D659-R663 IonicContact OD2-NH2 2.72Å; D659-R663 PolarHBondContact OD2-NH2 3.14Å
660	M	87.6	Confident	84.4	Confident	23 Å²	23	56 Å²	56	11%	0.113	29%	0.291	C	S	.	.	H	α-helix	trans	-56.5	-43.6	176.8	-70.1	169.5	78.4	0	0	111.7	Y649 L652 E656 A657 L671 V736 L741	Y649-M660 HydrophobicContact CE1-CE 3.94Å; Y649-M660 HydrophobicContact CE2-CE 4.39Å; Y649-M660 WeakPolarHBondContact OH-CE 3.41Å; L652-M660 HydrophobicContact CD1-SD 3.76Å; L652-M660 HydrophobicContact CD2-SD 3.91Å; L652-M660 HydrophobicContact CG-SD 4.47Å; E656-M660 WeakPolarHBondContact O-CB 3.35Å; E656-M660 WeakPolarHBondContact O-CG 3.5Å; E656-M660 PolarHBondContact O-N 2.94Å; A657-M660 PolarHBondContact O-N 2.99Å; M660-L671 HydrophobicContact CE-CD2 4.4Å; M660-L671 HydrophobicContact SD-CD2 4.4Å; M660-V736 HydrophobicContact CB-CG1 4.19Å; M660-V736 HydrophobicContact CE-CG1 4.11Å; M660-L741 HydrophobicContact CB-CD1 4Å; M660-L741 HydrophobicContact CB-CD2 4.16Å; M660-L741 HydrophobicContact CE-CD1 3.4Å; M660-L741 HydrophobicContact CG-CD1 3.69Å; M660-L741 WeakPolarHBondContact O-CD2 3.49Å; M660-L741 HydrophobicContact SD-CD1 4.35Å
661	L	84.5	Confident	84.7	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-75.3	-34	-179.9	-86.4	84.6	0	0	0	113.5	A657 E658 D659 R663 I664 A669 L671 T684 R686 V691 V736	A657-L661 WeakPolarHBondContact O-CD1 2.81Å; A657-L661 PolarHBondContact O-N 2.94Å; E658-L661 PolarHBondContact O-N 3.32Å; D659-L661 VanDerWaalsContact C-N 3.3Å; D659-L661 PolarHBondContact O-N 3.07Å; L661-R663 VanDerWaalsContact C-N 3.25Å; L661-R663 PolarHBondContact O-N 3.22Å; L661-I664 PolarHBondContact O-N 2.79Å; L661-I664 VanDerWaalsContact O-N 3.09Å; L661-A669 WeakPolarHBondContact CD2-O 3.44Å; L661-L671 HydrophobicContact CD1-CD2 3.38Å; L661-L671 HydrophobicContact CD1-CG 3.71Å; L661-T684 HydrophobicContact CD1-CG2 3.97Å; L661-T684 HydrophobicContact CD2-CG2 3.99Å; L661-R686 HydrophobicContact CD2-CB 4.22Å; L661-V691 HydrophobicContact CB-CG1 4.43Å; L661-V691 HydrophobicContact CB-CG2 3.67Å; L661-V691 HydrophobicContact CD2-CG1 4.36Å; L661-V736 HydrophobicContact CD1-CG2 4.04Å; L661-V736 HydrophobicContact CG-CG2 4.02Å
662	M	81.6	Confident	85	Confident	105 Å²	105	45 Å²	45	52%	0.517	23%	0.225	S	C	.	.	H	α-helix	trans	-67.3	-28.3	177.3	-76.1	-60	-66.4	0	0	112.5	E658 D659 I664 V691	E658-M662 WeakPolarHBondContact O-CB 3.49Å; E658-M662 VanDerWaalsContact O-CG 3.23Å; E658-M662 WeakPolarHBondContact O-CG 3.38Å; E658-M662 PolarHBondContact O-N 2.91Å; D659-M662 PolarHBondContact O-N 3.46Å; M662-I664 PolarHBondContact O-N 2.9Å; M662-V691 HydrophobicContact CG-CG2 3.79Å; M662-V691 HydrophobicContact SD-CG2 3.79Å
663	R	80.5	Confident	85.1	Confident	124 Å²	124	45.2 Å²	45.2	47%	0.468	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-16.9	171.7	-67.7	170.5	-171.6	-150.7	9.7	113.4	D659 L661 P665 L741	D659-R663 VanDerWaalsContact O-CG 3.29Å; D659-R663 WeakPolarHBondContact O-CG 3.4Å; D659-R663 PolarHBondContact O-N 2.88Å; D659-R663 VanDerWaalsContact O-N 3.11Å; D659-R663 IonicContact OD1-CZ 2.86Å; D659-R663 IonicContact OD1-NE 3.01Å; D659-R663 PolarHBondContact OD1-NE 2.83Å; D659-R663 IonicContact OD1-NH2 3.36Å; D659-R663 IonicContact OD2-CZ 3.96Å; D659-R663 VanDerWaalsContact OD2-CZ 3.23Å; D659-R663 IonicContact OD2-NE 3.31Å; D659-R663 PolarHBondContact OD2-NE 2.88Å; D659-R663 VanDerWaalsContact OD2-NE 3.14Å; D659-R663 IonicContact OD2-NH2 2.72Å; D659-R663 PolarHBondContact OD2-NH2 3.14Å; L661-R663 VanDerWaalsContact C-N 3.25Å; L661-R663 PolarHBondContact O-N 3.22Å; R663-P665 WeakPolarHBondContact O-CD 3.45Å; R663-L741 HydrophobicContact CB-CD2 4.21Å
664	I	75.4	Confident	85.2	Confident	1 Å²	1	47 Å²	47	1%	0.005	23%	0.226	C	C	.	.	S	Bend	trans	-100.2	108.2	179.9	-62.8	168.3	0	0	0	109.1	L661 M662 R666 A669 R686 V736 L740 L741 Y744	L661-I664 PolarHBondContact O-N 2.79Å; L661-I664 VanDerWaalsContact O-N 3.09Å; M662-I664 PolarHBondContact O-N 2.9Å; I664-R666 HydrophobicContact CG2-CB 4.15Å; I664-R666 PolarHBondContact O-N 3.41Å; I664-A669 HydrophobicContact CB-CB 4.33Å; I664-A669 HydrophobicContact CG2-CB 3.79Å; I664-R686 WeakPolarHBondContact O-CD 3.13Å; I664-R686 PolarHBondContact O-NE 2.95Å; I664-R686 VanDerWaalsContact O-NE 3.08Å; I664-V736 HydrophobicContact CD1-CB 4.07Å; I664-V736 HydrophobicContact CD1-CG1 3.7Å; I664-V736 HydrophobicContact CD1-CG2 3.45Å; I664-V736 VanDerWaalsContact CD1-CG2 3.45Å; I664-L740 HydrophobicContact CD1-CD2 3.79Å; I664-L740 HydrophobicContact CD1-CG 4.31Å; I664-L741 HydrophobicContact CD1-CD2 4.09Å; I664-L741 HydrophobicContact CG1-CD2 4.18Å; I664-Y744 HydrophobicContact CG1-CD2 3.94Å; I664-Y744 HydrophobicContact CG1-CE2 4.18Å; I664-Y744 HydrophobicContact CG2-CE2 4.07Å
665	P	74.4	Confident	85.3	Confident	61 Å²	61	43.2 Å²	43.2	40%	0.396	21%	0.211	S	C	.	.			trans	-81.1	39.9	-176	35.6	-37.4	0	0	0	112.8	R663 R686 Y744	R663-P665 WeakPolarHBondContact O-CD 3.45Å; P665-R686 VanDerWaalsContact C-NH1 3.26Å; P665-Y744 VanDerWaalsContact CD-CE1 3.43Å; P665-Y744 HydrophobicContact CG-CD1 4.24Å; P665-Y744 HydrophobicContact CG-CE1 3.81Å
666	R	70.6	Confident	85.4	Confident	68 Å²	68	49.3 Å²	49.3	26%	0.257	23%	0.234	S	C	.	.	S	Bend	trans	-136.4	127.2	-178.6	-65.7	-67.4	-174.8	-114.3	2.6	111.6	I664 A669 R686 Y734 R850	I664-R666 HydrophobicContact CG2-CB 4.15Å; I664-R666 PolarHBondContact O-N 3.41Å; R666-A669 WeakPolarHBondContact O-CB 3.31Å; R666-R686 VanDerWaalsContact C-NH1 3.34Å; R666-Y734 HydrophobicContact CB-CD2 4.04Å; R666-Y734 HydrophobicContact CB-CE2 3.83Å; R666-R850 VanDerWaalsContact CZ-NH2 3.31Å
667	D	78.7	Confident	85.2	Confident	64 Å²	64	48 Å²	48	34%	0.342	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	147.5	173.5	-67	-10.7	0	0	0	110.8	A669 R686 E688 G689 Y734	D667-A669 VanDerWaalsContact C-N 3.34Å; D667-R686 CarbonylContact C-O 3.51Å; D667-R686 WeakPolarHBondContact CA-O 3.37Å; D667-R686 IonicContact OD1-CZ 3.63Å; D667-R686 IonicContact OD1-NH1 2.72Å; D667-R686 PolarHBondContact OD1-NH1 3.01Å; D667-E688 PolarHBondContact OD1-N 3.18Å; D667-E688 VanDerWaalsContact OD2-CA 3.31Å; D667-E688 WeakPolarHBondContact OD2-CA 3.46Å; D667-E688 PolarHBondContact OD2-N 3.45Å; D667-G689 PolarHBondContact OD1-N 3.26Å; D667-Y734 VanDerWaalsContact O-CE2 3.32Å; D667-Y734 WeakPolarHBondContact O-CE2 3.46Å
668	G	78.9	Confident	84.9	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.6	0.2	-169.2	0	0	0	0	0	113.9	R686 M730 R733 Y734	G668-R686 PolarHBondContact N-O 3.14Å; G668-M730 PolarHBondContact N-SD 2.66Å; G668-R733 PolarHBondContact O-N 2.84Å; G668-Y734 PolarHBondContact O-N 2.84Å
669	A	87.1	Confident	84.6	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	135.2	168.1	0	0	0	0	0	110.2	L661 I664 R666 D667 F685 R686 Y734 V736	L661-A669 WeakPolarHBondContact CD2-O 3.44Å; I664-A669 HydrophobicContact CB-CB 4.33Å; I664-A669 HydrophobicContact CG2-CB 3.79Å; R666-A669 WeakPolarHBondContact O-CB 3.31Å; D667-A669 VanDerWaalsContact C-N 3.34Å; A669-F685 CarbonylContact O-C 3.57Å; A669-F685 WeakPolarHBondContact O-CA 3.45Å; A669-F685 WeakPolarHBondContact O-CB 3.23Å; A669-R686 HydrophobicContact CB-CB 4.34Å; A669-R686 PolarHBondContact O-N 3.11Å; A669-Y734 CarbonylContact C-O 3.58Å; A669-Y734 VanDerWaalsContact CA-O 3.27Å; A669-Y734 WeakPolarHBondContact CA-O 3.22Å; A669-Y734 HydrophobicContact CB-CD2 4.45Å; A669-V736 HydrophobicContact CB-CG2 4.2Å
670	F	94	Very high	84.9	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	157.7	-173.7	79.5	-77.6	0	0	0	114.2	W647 M683 T684 F685 V718 L732 Y734 P735 V736	W647-F670 HydrophobicContact CB-CE2 4.14Å; W647-F670 HydrophobicContact CB-CZ 4.44Å; W647-F670 HydrophobicContact CD2-CE2 4.41Å; W647-F670 HydrophobicContact CG-CE2 4.11Å; W647-F670 HydrophobicContact CG-CZ 4.35Å; F670-M683 HydrophobicContact CD2-SD 4.13Å; F670-T684 CarbonylContact C-O 3.59Å; F670-T684 WeakPolarHBondContact CA-O 3.37Å; F670-F685 HydrophobicContact CB-CB 3.81Å; F670-V718 HydrophobicContact CE2-CG1 3.72Å; F670-V718 HydrophobicContact CE2-CG2 3.98Å; F670-V718 HydrophobicContact CZ-CG1 3.6Å; F670-L732 HydrophobicContact CB-CD2 3.73Å; F670-L732 HydrophobicContact CD1-CB 3.85Å; F670-L732 HydrophobicContact CD1-CD2 4.09Å; F670-L732 HydrophobicContact CD1-CG 4.41Å; F670-L732 HydrophobicContact CD2-CD1 4.05Å; F670-L732 HydrophobicContact CD2-CD2 4.13Å; F670-L732 HydrophobicContact CD2-CG 4.5Å; F670-L732 HydrophobicContact CE1-CB 3.84Å; F670-L732 HydrophobicContact CE2-CD1 4.08Å; F670-L732 HydrophobicContact CG-CB 4.25Å; F670-L732 HydrophobicContact CG-CD1 4.36Å; F670-L732 HydrophobicContact CG-CD2 3.71Å; F670-L732 HydrophobicContact CG-CG 4.32Å; F670-L732 HydrophobicContact CZ-CB 4.25Å; F670-L732 HydrophobicContact CZ-CD1 4.41Å; F670-Y734 WeakPolarHBondContact CD1-O 3.27Å; F670-Y734 PolarHBondContact N-O 3.37Å; F670-P735 HydrophobicContact CE1-CB 4.22Å; F670-P735 HydrophobicContact CZ-CB 4.26Å; F670-V736 WeakPolarHBondContact O-CG2 3.37Å; F670-V736 PolarHBondContact O-N 3.41Å
671	L	94.6	Very high	85.1	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	160.9	166.5	62	82.4	0	0	0	110.3	W647 Y649 L652 A657 M660 L661 R673 T684 V736	W647-L671 WeakPolarHBondContact O-CA 3.45Å; Y649-L671 HydrophobicContact CD2-CB 3.99Å; Y649-L671 HydrophobicContact CD2-CD1 4.27Å; Y649-L671 HydrophobicContact CD2-CD2 4.3Å; Y649-L671 HydrophobicContact CD2-CG 4.42Å; Y649-L671 HydrophobicContact CE2-CB 3.86Å; Y649-L671 HydrophobicContact CE2-CD2 4.06Å; Y649-L671 HydrophobicContact CE2-CG 4.45Å; L652-L671 HydrophobicContact CD2-CD1 3.77Å; L652-L671 HydrophobicContact CD2-CD2 3.82Å; L652-L671 HydrophobicContact CD2-CG 4.49Å; A657-L671 HydrophobicContact CB-CD1 4.02Å; A657-L671 HydrophobicContact CB-CD2 4.33Å; M660-L671 HydrophobicContact CE-CD2 4.4Å; M660-L671 HydrophobicContact SD-CD2 4.4Å; L661-L671 HydrophobicContact CD1-CD2 3.38Å; L661-L671 HydrophobicContact CD1-CG 3.71Å; L671-R673 HydrophobicContact CD1-CB 4.22Å; L671-R673 HydrophobicContact CD1-CG 4.46Å; L671-T684 PolarHBondContact N-O 2.86Å; L671-T684 PolarHBondContact O-N 3.1Å; L671-V736 HydrophobicContact CB-CB 4.33Å; L671-V736 HydrophobicContact CD2-CB 4.15Å; L671-V736 HydrophobicContact CD2-CG1 4.27Å
672	I	94.1	Very high	85.4	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	129.8	171.6	-59.6	-172.2	0	0	0	109	W647 Y648 Y649 F681 A682 M683 I696 L714 V718	W647-I672 HydrophobicContact CE3-CB 3.97Å; W647-I672 HydrophobicContact CE3-CD1 4.12Å; W647-I672 HydrophobicContact CE3-CG1 4.01Å; W647-I672 HydrophobicContact CH2-CD1 4.38Å; W647-I672 HydrophobicContact CZ3-CB 3.97Å; W647-I672 HydrophobicContact CZ3-CD1 3.68Å; W647-I672 HydrophobicContact CZ3-CG1 4.02Å; W647-I672 PolarHBondContact O-N 3.26Å; Y648-I672 CarbonylContact C-O 3.55Å; Y648-I672 WeakPolarHBondContact CA-O 3.12Å; Y648-I672 HydrophobicContact CD2-CB 4.49Å; Y648-I672 HydrophobicContact CD2-CG2 4.27Å; Y649-I672 PolarHBondContact N-O 3.34Å; I672-F681 HydrophobicContact CG2-CB 4.37Å; I672-A682 WeakPolarHBondContact CA-O 3.25Å; I672-M683 HydrophobicContact CD1-SD 3.84Å; I672-M683 HydrophobicContact CG1-CB 4.25Å; I672-M683 HydrophobicContact CG1-CG 4.25Å; I672-M683 HydrophobicContact CG1-SD 3.8Å; I672-I696 HydrophobicContact CD1-CD1 4.32Å; I672-L714 HydrophobicContact CD1-CD2 4.41Å; I672-L714 HydrophobicContact CG2-CD1 4.12Å; I672-V718 HydrophobicContact CD1-CG2 3.6Å
673	R	93.4	Very high	85.9	Confident	22 Å²	22	45.4 Å²	45.4	8%	0.083	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	142.9	178.8	64.7	-171.1	-175.1	74.9	4.5	112	Y649 L652 L671 F681 A682	Y649-R673 CarbonylContact O-C 3.54Å; Y649-R673 VanDerWaalsContact O-CA 3.26Å; Y649-R673 WeakPolarHBondContact O-CA 3.31Å; L652-R673 HydrophobicContact CB-CB 4.11Å; L652-R673 WeakPolarHBondContact O-CD 3.45Å; L671-R673 HydrophobicContact CD1-CB 4.22Å; L671-R673 HydrophobicContact CD1-CG 4.46Å; R673-F681 CarbonylContact O-C 3.5Å; R673-F681 WeakPolarHBondContact O-CA 3.33Å; R673-A682 HydrophobicContact CG-CB 3.99Å; R673-A682 PolarHBondContact N-O 3.22Å; R673-A682 PolarHBondContact O-N 3.43Å
674	K	91.6	Very high	86.4	Confident	94 Å²	94	39.5 Å²	39.5	41%	0.409	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	140.7	169.8	-167.2	171.3	-177.2	171.9	0	109.9	Y649 F681	Y649-K674 PolarHBondContact O-N 3.25Å; K674-F681 HydrophobicContact CB-CD1 4.21Å; K674-F681 HydrophobicContact CB-CE1 4.29Å; K674-F681 HydrophobicContact CD-CE1 4.43Å; K674-F681 HydrophobicContact CG-CD1 4.28Å; K674-F681 HydrophobicContact CG-CE1 4.08Å
675	R	89.8	Confident	87.2	Confident	66 Å²	66	39.4 Å²	39.4	25%	0.249	20%	0.202	C	C	.	.			trans	-98.4	164	176.6	-60.6	179.7	66.9	-135.4	-7.5	110.3	E677 S680 A682	R675-E677 IonicContact CZ-OE1 3.28Å; R675-E677 IonicContact CZ-OE2 3.85Å; R675-E677 IonicContact NH1-OE1 3.77Å; R675-E677 PolarHBondContact NH1-OE1 3.03Å; R675-E677 IonicContact NH1-OE2 3.98Å; R675-E677 PolarHBondContact NH1-OE2 3.3Å; R675-E677 IonicContact NH2-OE1 3.71Å; R675-E677 PolarHBondContact NH2-OE1 2.87Å; R675-E677 IonicContact NH2-OE2 2.6Å; R675-E677 PolarHBondContact O-N 3.09Å; R675-S680 WeakPolarHBondContact CB-O 3.27Å; R675-S680 PolarHBondContact N-O 3.01Å; R675-S680 PolarHBondContact NH1-OG 3.37Å; R675-A682 HydrophobicContact CG-CB 4.05Å
676	D	85.1	Confident	87.7	Confident	171 Å²	171	38.2 Å²	38.2	91%	0.914	19%	0.189	S	C	*	.	S	Bend	trans	-65.4	-27	177.3	-56.6	-38.1	0	0	0	112.6
677	E	85.4	Confident	88.1	Confident	74 Å²	74	35.1 Å²	35.1	35%	0.346	18%	0.178	S	C	.	.	S	Bend	trans	-68.9	134.2	174.1	-68.7	167.9	-153.8	0	0	110.3	R675 S680 R695	R675-E677 IonicContact CZ-OE1 3.28Å; R675-E677 IonicContact CZ-OE2 3.85Å; R675-E677 IonicContact NH1-OE1 3.77Å; R675-E677 PolarHBondContact NH1-OE1 3.03Å; R675-E677 IonicContact NH1-OE2 3.98Å; R675-E677 PolarHBondContact NH1-OE2 3.3Å; R675-E677 IonicContact NH2-OE1 3.71Å; R675-E677 PolarHBondContact NH2-OE1 2.87Å; R675-E677 IonicContact NH2-OE2 2.6Å; R675-E677 PolarHBondContact O-N 3.09Å; E677-S680 VanDerWaalsContact O-CB 3.23Å; E677-S680 WeakPolarHBondContact O-CB 3.25Å; E677-S680 PolarHBondContact O-N 2.91Å; E677-S680 PolarHBondContact OE2-OG 3.41Å; E677-R695 IonicContact OE1-NH1 3.43Å; E677-R695 IonicContact OE2-CZ 3.01Å; E677-R695 IonicContact OE2-NE 2.78Å; E677-R695 IonicContact OE2-NH1 2.74Å; E677-R695 PolarHBondContact OE2-NH1 3.49Å; E677-R695 IonicContact OE2-NH2 3.72Å; E677-R695 PolarHBondContact OE2-NH2 3.46Å
678	P	80.9	Confident	88	Confident	109 Å²	109	37.2 Å²	37.2	71%	0.708	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	142.3	174.5	-23.6	32.8	0	0	0	111.6	S680	P678-S680 PolarHBondContact O-N 3.31Å; P678-S680 VanDerWaalsContact O-N 3.1Å
679	D	84.4	Confident	87.6	Confident	89 Å²	89	38.8 Å²	38.8	48%	0.476	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	29.5	175.3	-55.7	-34.3	0	0	0	113.3	Q697 Q698	D679-Q697 PolarHBondContact O-NE2 3.12Å; D679-Q698 HydrophobicContact CB-CB 3.96Å; D679-Q698 PolarHBondContact O-N 3.27Å
680	S	89.9	Confident	87.2	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	130.6	-173.5	-164.3	0	0	0	0	110.8	R675 E677 P678 R695	R675-S680 WeakPolarHBondContact CB-O 3.27Å; R675-S680 PolarHBondContact N-O 3.01Å; R675-S680 PolarHBondContact NH1-OG 3.37Å; E677-S680 VanDerWaalsContact O-CB 3.23Å; E677-S680 WeakPolarHBondContact O-CB 3.25Å; E677-S680 PolarHBondContact O-N 2.91Å; E677-S680 PolarHBondContact OE2-OG 3.41Å; P678-S680 PolarHBondContact O-N 3.31Å; P678-S680 VanDerWaalsContact O-N 3.1Å; S680-R695 PolarHBondContact OG-NE 2.81Å; S680-R695 PolarHBondContact OG-NH2 2.83Å
681	F	92.8	Very high	86.8	Confident	6 Å²	6	47.1 Å²	47.1	3%	0.026	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	162.1	-179.6	-56.3	-99.1	0	0	0	109.7	H642 Y648 I672 R673 K674 R695 I696 Q698 F703 L714	H642-F681 AromaticContact NE2-CE1 4Å; Y648-F681 AromaticContact CE2-CD1 3.99Å; Y648-F681 HydrophobicContact CE2-CD1 3.99Å; Y648-F681 AromaticContact CE2-CE1 3.93Å; Y648-F681 HydrophobicContact CE2-CE1 3.93Å; I672-F681 HydrophobicContact CG2-CB 4.37Å; R673-F681 CarbonylContact O-C 3.5Å; R673-F681 WeakPolarHBondContact O-CA 3.33Å; K674-F681 HydrophobicContact CB-CD1 4.21Å; K674-F681 HydrophobicContact CB-CE1 4.29Å; K674-F681 HydrophobicContact CD-CE1 4.43Å; K674-F681 HydrophobicContact CG-CD1 4.28Å; K674-F681 HydrophobicContact CG-CE1 4.08Å; F681-R695 CarbonylContact O-C 3.54Å; F681-R695 WeakPolarHBondContact O-CA 3.43Å; F681-I696 HydrophobicContact CB-CB 4.18Å; F681-I696 PolarHBondContact N-O 3.12Å; F681-I696 PolarHBondContact O-N 2.94Å; F681-Q698 HydrophobicContact CE2-CB 4.17Å; F681-F703 HydrophobicContact CD2-CD1 4.31Å; F681-F703 HydrophobicContact CD2-CE1 4.1Å; F681-F703 HydrophobicContact CE2-CD1 4.23Å; F681-F703 AromaticContact CE2-CE1 3.61Å; F681-F703 HydrophobicContact CE2-CE1 3.61Å; F681-F703 HydrophobicContact CZ-CE1 4.02Å; F681-L714 HydrophobicContact CD1-CD1 3.84Å; F681-L714 HydrophobicContact CE1-CD1 4.02Å; F681-L714 HydrophobicContact CG-CD1 4.13Å; F681-L714 HydrophobicContact CZ-CD1 4.49Å
682	A	90.7	Very high	86.2	Confident	4 Å²	4	49.7 Å²	49.7	3%	0.033	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	125.4	172.4	0	0	0	0	0	110.3	I672 R673 R675 F694	I672-A682 WeakPolarHBondContact CA-O 3.25Å; R673-A682 HydrophobicContact CG-CB 3.99Å; R673-A682 PolarHBondContact N-O 3.22Å; R673-A682 PolarHBondContact O-N 3.43Å; R675-A682 HydrophobicContact CG-CB 4.05Å; A682-F694 CarbonylContact C-O 3.45Å; A682-F694 VanDerWaalsContact CA-O 3.29Å; A682-F694 WeakPolarHBondContact CA-O 3.5Å
683	M	90.9	Very high	85.8	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	129	162.9	-177.6	129.5	71.6	0	0	108.2	F670 I672 H693 F694 I696 L717 L726 L732	F670-M683 HydrophobicContact CD2-SD 4.13Å; I672-M683 HydrophobicContact CD1-SD 3.84Å; I672-M683 HydrophobicContact CG1-CB 4.25Å; I672-M683 HydrophobicContact CG1-CG 4.25Å; I672-M683 HydrophobicContact CG1-SD 3.8Å; M683-H693 VanDerWaalsContact O-CA 3.3Å; M683-H693 WeakPolarHBondContact O-CA 3.29Å; M683-F694 HydrophobicContact CB-CD2 4.04Å; M683-F694 HydrophobicContact CB-CE1 4.19Å; M683-F694 HydrophobicContact CB-CE2 3.53Å; M683-F694 HydrophobicContact CB-CZ 3.68Å; M683-F694 HydrophobicContact CE-CE1 4.25Å; M683-F694 HydrophobicContact CE-CE2 3.65Å; M683-F694 HydrophobicContact CE-CZ 3.2Å; M683-F694 HydrophobicContact CG-CE1 4.24Å; M683-F694 HydrophobicContact CG-CE2 4.2Å; M683-F694 HydrophobicContact CG-CZ 3.83Å; M683-F694 PolarHBondContact N-O 3.08Å; M683-F694 PolarHBondContact O-N 2.88Å; M683-F694 HydrophobicContact SD-CZ 4.36Å; M683-I696 HydrophobicContact CB-CD1 4.06Å; M683-L717 HydrophobicContact CE-CD2 3.48Å; M683-L717 VanDerWaalsContact CE-CD2 3.48Å; M683-L717 HydrophobicContact SD-CD2 4.41Å; M683-L726 HydrophobicContact CE-CD1 4.44Å; M683-L726 HydrophobicContact CE-CD2 3.76Å; M683-L732 HydrophobicContact CE-CD1 3.8Å; M683-L732 HydrophobicContact CE-CD2 4.42Å; M683-L732 HydrophobicContact SD-CD1 3.74Å; M683-L732 HydrophobicContact SD-CD2 4.18Å
684	T	91.8	Very high	85.3	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	126.4	176.8	-56.6	0	0	0	0	107.9	A657 L661 F670 L671 V691 K692 H693	A657-T684 HydrophobicContact CB-CG2 4.03Å; L661-T684 HydrophobicContact CD1-CG2 3.97Å; L661-T684 HydrophobicContact CD2-CG2 3.99Å; F670-T684 CarbonylContact C-O 3.59Å; F670-T684 WeakPolarHBondContact CA-O 3.37Å; L671-T684 PolarHBondContact N-O 2.86Å; L671-T684 PolarHBondContact O-N 3.1Å; T684-V691 HydrophobicContact CG2-CG1 3.4Å; T684-K692 WeakPolarHBondContact CA-O 3.46Å; T684-H693 WeakPolarHBondContact CG2-CE1 3.31Å; T684-H693 VanDerWaalsContact CG2-ND1 3.26Å; T684-H693 WeakPolarHBondContact CG2-ND1 3.42Å; T684-H693 PolarHBondContact OG1-ND1 2.88Å
685	F	91.3	Very high	85	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	157.1	-176.2	70.5	-82.1	0	0	0	112	A669 F670 A687 V691 K692 F694 L726 Y727 M730 F1142	A669-F685 CarbonylContact O-C 3.57Å; A669-F685 WeakPolarHBondContact O-CA 3.45Å; A669-F685 WeakPolarHBondContact O-CB 3.23Å; F670-F685 HydrophobicContact CB-CB 3.81Å; F685-A687 HydrophobicContact CD2-CB 4.13Å; F685-A687 HydrophobicContact CE2-CB 3.81Å; F685-V691 WeakPolarHBondContact O-CA 3.31Å; F685-K692 HydrophobicContact CD1-CB 4.24Å; F685-K692 HydrophobicContact CE1-CB 3.61Å; F685-K692 HydrophobicContact CE2-CB 4.04Å; F685-K692 HydrophobicContact CE2-CD 4.24Å; F685-K692 HydrophobicContact CZ-CB 3.55Å; F685-K692 HydrophobicContact CZ-CD 3.94Å; F685-K692 HydrophobicContact CZ-CG 4.27Å; F685-K692 PolarHBondContact N-O 2.98Å; F685-K692 PolarHBondContact O-N 3.07Å; F685-F694 HydrophobicContact CD1-CD1 4.2Å; F685-F694 AromaticContact CD1-CE1 3.75Å; F685-F694 HydrophobicContact CD1-CE1 3.75Å; F685-F694 AromaticContact CE1-CD1 3.57Å; F685-F694 HydrophobicContact CE1-CD1 3.57Å; F685-F694 AromaticContact CE1-CE1 3.34Å; F685-F694 HydrophobicContact CE1-CE1 3.34Å; F685-F694 HydrophobicContact CZ-CE1 4.29Å; F685-L726 HydrophobicContact CD1-CD2 4.34Å; F685-L726 HydrophobicContact CE1-CD2 4.43Å; F685-Y727 HydrophobicContact CE2-CD1 4.43Å; F685-Y727 HydrophobicContact CE2-CG 4.14Å; F685-Y727 HydrophobicContact CZ-CG 4.24Å; F685-M730 HydrophobicContact CD2-CE 3.3Å; F685-M730 HydrophobicContact CD2-SD 3.77Å; F685-M730 HydrophobicContact CE2-CE 3.53Å; F685-M730 HydrophobicContact CE2-SD 4.08Å; F685-M730 HydrophobicContact CG-CE 4.19Å; F685-F1142 AromaticContact CE1-CE1 4Å; F685-F1142 HydrophobicContact CE1-CE1 4Å; F685-F1142 HydrophobicContact CE1-CZ 4.14Å; F685-F1142 AromaticContact CZ-CE1 3.81Å; F685-F1142 HydrophobicContact CZ-CE1 3.81Å; F685-F1142 AromaticContact CZ-CZ 3.93Å; F685-F1142 HydrophobicContact CZ-CZ 3.93Å
686	R	85.3	Confident	85	Confident	36 Å²	36	49.7 Å²	49.7	14%	0.136	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	128.2	178.3	-171.8	179	-174.9	-99.1	15.7	110.4	L661 I664 P665 R666 D667 G668 A669 K690	L661-R686 HydrophobicContact CD2-CB 4.22Å; I664-R686 WeakPolarHBondContact O-CD 3.13Å; I664-R686 PolarHBondContact O-NE 2.95Å; I664-R686 VanDerWaalsContact O-NE 3.08Å; P665-R686 VanDerWaalsContact C-NH1 3.26Å; R666-R686 VanDerWaalsContact C-NH1 3.34Å; D667-R686 CarbonylContact C-O 3.51Å; D667-R686 WeakPolarHBondContact CA-O 3.37Å; D667-R686 IonicContact OD1-CZ 3.63Å; D667-R686 IonicContact OD1-NH1 2.72Å; D667-R686 PolarHBondContact OD1-NH1 3.01Å; G668-R686 PolarHBondContact N-O 3.14Å; A669-R686 HydrophobicContact CB-CB 4.34Å; A669-R686 PolarHBondContact O-N 3.11Å; R686-K690 CarbonylContact C-O 3.49Å; R686-K690 WeakPolarHBondContact CA-O 3.42Å
687	A	79.4	Confident	85	Confident	2 Å²	2	43.9 Å²	43.9	2%	0.017	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	135.5	175.3	0	0	0	0	0	110.2	F685 G689 K690 Y727 M730	F685-A687 HydrophobicContact CD2-CB 4.13Å; F685-A687 HydrophobicContact CE2-CB 3.81Å; A687-G689 PolarHBondContact O-N 3.38Å; A687-K690 PolarHBondContact N-O 2.9Å; A687-K690 PolarHBondContact O-N 3.33Å; A687-K690 VanDerWaalsContact O-O 3.04Å; A687-Y727 HydrophobicContact CB-CD1 3.76Å; A687-Y727 HydrophobicContact CB-CE1 4.24Å; A687-M730 HydrophobicContact CB-SD 3.61Å
688	E	77.3	Confident	84.9	Confident	109 Å²	109	42.2 Å²	42.2	51%	0.509	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	39.6	-179.6	-60	172.5	-178.3	0	0	111.8	D667 K690 R728	D667-E688 PolarHBondContact OD1-N 3.18Å; D667-E688 VanDerWaalsContact OD2-CA 3.31Å; D667-E688 WeakPolarHBondContact OD2-CA 3.46Å; D667-E688 PolarHBondContact OD2-N 3.45Å; E688-K690 PolarHBondContact O-N 2.9Å; E688-K690 VanDerWaalsContact O-N 3.16Å; E688-R728 VanDerWaalsContact CD-NH1 3.27Å; E688-R728 IonicContact OE1-CZ 3.27Å; E688-R728 IonicContact OE1-NE 3.13Å; E688-R728 IonicContact OE1-NH1 2.7Å; E688-R728 PolarHBondContact OE1-NH1 3.24Å; E688-R728 IonicContact OE2-NH1 2.78Å; E688-R728 PolarHBondContact OE2-NH1 2.96Å; E688-R728 VanDerWaalsContact OE2-NH1 3.09Å
689	G	70.6	Confident	84.7	Confident	32 Å²	32	41.6 Å²	41.6	33%	0.33	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	5.2	-177.3	0	0	0	0	0	115.4	D667 A687	D667-G689 PolarHBondContact OD1-N 3.26Å; A687-G689 PolarHBondContact O-N 3.38Å
690	K	78.6	Confident	84.1	Confident	146 Å²	146	39.8 Å²	39.8	64%	0.635	20%	0.201	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-115.1	147.6	179.8	-65.2	177.3	-177.4	173.2	0	111.2	R686 A687 E688	R686-K690 CarbonylContact C-O 3.49Å; R686-K690 WeakPolarHBondContact CA-O 3.42Å; A687-K690 PolarHBondContact N-O 2.9Å; A687-K690 PolarHBondContact O-N 3.33Å; A687-K690 VanDerWaalsContact O-O 3.04Å; E688-K690 PolarHBondContact O-N 2.9Å; E688-K690 VanDerWaalsContact O-N 3.16Å
691	V	83.9	Confident	83.2	Confident	30 Å²	30	42.2 Å²	42.2	18%	0.182	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	132.6	171	-178.5	0	0	0	0	109.7	E658 L661 M662 T684 F685	E658-V691 HydrophobicContact CG-CB 4.33Å; E658-V691 HydrophobicContact CG-CG1 3.97Å; L661-V691 HydrophobicContact CB-CG1 4.43Å; L661-V691 HydrophobicContact CB-CG2 3.67Å; L661-V691 HydrophobicContact CD2-CG1 4.36Å; M662-V691 HydrophobicContact CG-CG2 3.79Å; M662-V691 HydrophobicContact SD-CG2 3.79Å; T684-V691 HydrophobicContact CG2-CG1 3.4Å; F685-V691 WeakPolarHBondContact O-CA 3.31Å
692	K	83.9	Confident	82.4	Confident	53 Å²	53	44.1 Å²	44.1	23%	0.23	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	150.5	175.6	-64.8	-166.3	177.4	-148.6	0	109.8	T684 F685 Y727	T684-K692 WeakPolarHBondContact CA-O 3.46Å; F685-K692 HydrophobicContact CD1-CB 4.24Å; F685-K692 HydrophobicContact CE1-CB 3.61Å; F685-K692 HydrophobicContact CE2-CB 4.04Å; F685-K692 HydrophobicContact CE2-CD 4.24Å; F685-K692 HydrophobicContact CZ-CB 3.55Å; F685-K692 HydrophobicContact CZ-CD 3.94Å; F685-K692 HydrophobicContact CZ-CG 4.27Å; F685-K692 PolarHBondContact N-O 2.98Å; F685-K692 PolarHBondContact O-N 3.07Å; K692-Y727 HydrophobicContact CD-CE1 4.44Å; K692-Y727 HydrophobicContact CD-CE2 4.41Å; K692-Y727 PolarHBondContact NZ-OH 3.27Å
693	H	85.3	Confident	81.9	Confident	43 Å²	43	44 Å²	44	20%	0.199	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	144.6	176.5	-47.6	-91.5	0	0	0	109.8	E658 M683 T684	E658-H693 WeakPolarHBondContact CG-CE1 3.33Å; E658-H693 WeakPolarHBondContact CG-NE2 3.45Å; E658-H693 IonicContact OE1-CD2 2.91Å; E658-H693 IonicContact OE1-CE1 3.74Å; E658-H693 IonicContact OE1-NE2 2.64Å; E658-H693 PolarHBondContact OE1-NE2 3.3Å; M683-H693 VanDerWaalsContact O-CA 3.3Å; M683-H693 WeakPolarHBondContact O-CA 3.29Å; T684-H693 WeakPolarHBondContact CG2-CE1 3.31Å; T684-H693 VanDerWaalsContact CG2-ND1 3.26Å; T684-H693 WeakPolarHBondContact CG2-ND1 3.42Å; T684-H693 PolarHBondContact OG1-ND1 2.88Å
694	F	81.6	Confident	81.4	Confident	23 Å²	23	44.2 Å²	44.2	10%	0.101	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	153.1	162.3	55.2	-99.1	0	0	0	111.6	A682 M683 F685 I696 L705 L726 F1142	A682-F694 CarbonylContact C-O 3.45Å; A682-F694 VanDerWaalsContact CA-O 3.29Å; A682-F694 WeakPolarHBondContact CA-O 3.5Å; M683-F694 HydrophobicContact CB-CD2 4.04Å; M683-F694 HydrophobicContact CB-CE1 4.19Å; M683-F694 HydrophobicContact CB-CE2 3.53Å; M683-F694 HydrophobicContact CB-CZ 3.68Å; M683-F694 HydrophobicContact CE-CE1 4.25Å; M683-F694 HydrophobicContact CE-CE2 3.65Å; M683-F694 HydrophobicContact CE-CZ 3.2Å; M683-F694 HydrophobicContact CG-CE1 4.24Å; M683-F694 HydrophobicContact CG-CE2 4.2Å; M683-F694 HydrophobicContact CG-CZ 3.83Å; M683-F694 PolarHBondContact N-O 3.08Å; M683-F694 PolarHBondContact O-N 2.88Å; M683-F694 HydrophobicContact SD-CZ 4.36Å; F685-F694 HydrophobicContact CD1-CD1 4.2Å; F685-F694 AromaticContact CD1-CE1 3.75Å; F685-F694 HydrophobicContact CD1-CE1 3.75Å; F685-F694 AromaticContact CE1-CD1 3.57Å; F685-F694 HydrophobicContact CE1-CD1 3.57Å; F685-F694 AromaticContact CE1-CE1 3.34Å; F685-F694 HydrophobicContact CE1-CE1 3.34Å; F685-F694 HydrophobicContact CZ-CE1 4.29Å; F694-I696 HydrophobicContact CD2-CG1 4.29Å; F694-I696 HydrophobicContact CE2-CD1 4.42Å; F694-I696 HydrophobicContact CE2-CG1 4.24Å; F694-L705 HydrophobicContact CD2-CD1 3.15Å; F694-L705 HydrophobicContact CE2-CD1 3.17Å; F694-L705 HydrophobicContact CE2-CD2 3.96Å; F694-L705 HydrophobicContact CE2-CG 4.22Å; F694-L705 HydrophobicContact CG-CD1 4.17Å; F694-L705 HydrophobicContact CZ-CD1 4.2Å; F694-L705 HydrophobicContact CZ-CD2 4.39Å; F694-L726 HydrophobicContact CE1-CD1 3.9Å; F694-L726 HydrophobicContact CE1-CD2 3.73Å; F694-L726 HydrophobicContact CE1-CG 4.05Å; F694-L726 HydrophobicContact CZ-CD1 3.54Å; F694-L726 HydrophobicContact CZ-CD2 3.7Å; F694-L726 HydrophobicContact CZ-CG 4.07Å; F694-F1142 AromaticContact CD1-CE1 3.68Å; F694-F1142 HydrophobicContact CD1-CE1 3.68Å; F694-F1142 AromaticContact CD1-CZ 3.63Å; F694-F1142 HydrophobicContact CD1-CZ 3.63Å; F694-F1142 HydrophobicContact CE1-CE1 4.19Å; F694-F1142 AromaticContact CE1-CZ 3.71Å; F694-F1142 HydrophobicContact CE1-CZ 3.71Å
695	R	85.6	Confident	80.8	Confident	116 Å²	116	44.2 Å²	44.2	44%	0.438	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	138.6	-176.8	-176.7	-177.4	176.3	145.8	4.4	110.2	E677 S680 F681 Q697	E677-R695 IonicContact OE1-NH1 3.43Å; E677-R695 IonicContact OE2-CZ 3.01Å; E677-R695 IonicContact OE2-NE 2.78Å; E677-R695 IonicContact OE2-NH1 2.74Å; E677-R695 PolarHBondContact OE2-NH1 3.49Å; E677-R695 IonicContact OE2-NH2 3.72Å; E677-R695 PolarHBondContact OE2-NH2 3.46Å; S680-R695 PolarHBondContact OG-NE 2.81Å; S680-R695 PolarHBondContact OG-NH2 2.83Å; F681-R695 CarbonylContact O-C 3.54Å; F681-R695 WeakPolarHBondContact O-CA 3.43Å; R695-Q697 VanDerWaalsContact CZ-OE1 3.29Å
696	I	89.4	Confident	80	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	123.6	168	-58.5	161.2	0	0	0	106.1	I672 F681 M683 F694 F703 V704 L705 L714 L717	I672-I696 HydrophobicContact CD1-CD1 4.32Å; F681-I696 HydrophobicContact CB-CB 4.18Å; F681-I696 PolarHBondContact N-O 3.12Å; F681-I696 PolarHBondContact O-N 2.94Å; M683-I696 HydrophobicContact CB-CD1 4.06Å; F694-I696 HydrophobicContact CD2-CG1 4.29Å; F694-I696 HydrophobicContact CE2-CD1 4.42Å; F694-I696 HydrophobicContact CE2-CG1 4.24Å; I696-F703 HydrophobicContact CG2-CB 3.98Å; I696-F703 HydrophobicContact CG2-CD1 4.25Å; I696-V704 WeakPolarHBondContact CA-O 3.37Å; I696-L705 HydrophobicContact CG1-CD1 4.17Å; I696-L714 HydrophobicContact CD1-CD2 3.88Å; I696-L714 HydrophobicContact CG2-CD2 3.86Å; I696-L717 HydrophobicContact CD1-CD1 3.95Å; I696-L717 HydrophobicContact CD1-CD2 4.42Å; I696-L717 HydrophobicContact CG1-CD1 4.27Å; I696-L717 HydrophobicContact CG2-CD1 4.29Å
697	Q	85.9	Confident	79	Confident	50 Å²	50	48.3 Å²	48.3	23%	0.234	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	132	178.6	-170.6	63.4	38.8	0	0	109.1	D679 R695 E699 V704	D679-Q697 PolarHBondContact O-NE2 3.12Å; R695-Q697 VanDerWaalsContact CZ-OE1 3.29Å; Q697-E699 HydrophobicContact CG-CG 4.28Å; Q697-V704 PolarHBondContact N-O 2.82Å; Q697-V704 PolarHBondContact O-N 3.02Å
698	Q	82.7	Confident	78.4	Confident	39 Å²	39	48.8 Å²	48.8	18%	0.182	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	118.3	170.1	177.2	176.6	-1.1	0	0	108.6	D679 F681 G700 H702 F703	D679-Q698 HydrophobicContact CB-CB 3.96Å; D679-Q698 PolarHBondContact O-N 3.27Å; F681-Q698 HydrophobicContact CE2-CB 4.17Å; Q698-G700 PolarHBondContact NE2-O 3.2Å; Q698-H702 CarbonylContact C-O 3.44Å; Q698-H702 WeakPolarHBondContact CA-O 3.33Å; Q698-F703 HydrophobicContact CB-CD1 4.11Å; Q698-F703 HydrophobicContact CB-CE1 4.06Å; Q698-F703 HydrophobicContact CG-CD1 4.48Å; Q698-F703 HydrophobicContact CG-CE1 4.18Å; Q698-F703 HydrophobicContact CG-CZ 4.41Å
699	E	77.9	Confident	78.4	Confident	96 Å²	96	43.6 Å²	43.6	45%	0.449	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	100.6	177.7	-68.2	-173.9	176.7	0	0	108.8	Q697 R701 H702 V704 Y710	Q697-E699 HydrophobicContact CG-CG 4.28Å; E699-R701 PolarHBondContact O-N 3.34Å; E699-H702 PolarHBondContact N-O 2.58Å; E699-H702 PolarHBondContact O-N 3.33Å; E699-H702 VanDerWaalsContact O-N 3.13Å; E699-V704 HydrophobicContact CB-CG2 3.91Å; E699-V704 HydrophobicContact CG-CG2 3.79Å; E699-Y710 PolarHBondContact OE2-OH 3.48Å
700	G	71.4	Confident	78.8	Confident	51 Å²	51	46.6 Å²	46.6	53%	0.526	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	-123.4	-171	0	0	0	0	0	110.8	Q698	Q698-G700 PolarHBondContact NE2-O 3.2Å
701	R	70.9	Confident	78.9	Confident	50 Å²	50	39.7 Å²	39.7	19%	0.189	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-6.1	177.8	74.5	-178.4	-170.1	118.7	19.5	115.5	E554 M555 E699	E554-R701 IonicContact OE2-NE 2.82Å; M555-R701 VanDerWaalsContact CE-NH2 3.31Å; E699-R701 PolarHBondContact O-N 3.34Å
702	H	75	Confident	78.6	Confident	47 Å²	47	41.4 Å²	41.4	22%	0.218	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	151.9	-173.5	-53.9	91.6	0	0	0	111.7	Q698 E699 Y710 F711	Q698-H702 CarbonylContact C-O 3.44Å; Q698-H702 WeakPolarHBondContact CA-O 3.33Å; E699-H702 PolarHBondContact N-O 2.58Å; E699-H702 PolarHBondContact O-N 3.33Å; E699-H702 VanDerWaalsContact O-N 3.13Å; H702-Y710 HydrophobicContact CB-CD1 3.97Å; H702-F711 CarbonylContact C-O 3.46Å; H702-F711 VanDerWaalsContact CA-O 3.32Å; H702-F711 WeakPolarHBondContact CA-O 3.43Å
703	F	81.3	Confident	78.6	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	123	170.5	-63.9	-92.8	0	0	0	108.9	P639 H642 F681 I696 Q698 F711 L714	P639-F703 WeakPolarHBondContact O-CE2 3.33Å; H642-F703 AromaticContact CE1-CZ 3.96Å; F681-F703 HydrophobicContact CD2-CD1 4.31Å; F681-F703 HydrophobicContact CD2-CE1 4.1Å; F681-F703 HydrophobicContact CE2-CD1 4.23Å; F681-F703 AromaticContact CE2-CE1 3.61Å; F681-F703 HydrophobicContact CE2-CE1 3.61Å; F681-F703 HydrophobicContact CZ-CE1 4.02Å; I696-F703 HydrophobicContact CG2-CB 3.98Å; I696-F703 HydrophobicContact CG2-CD1 4.25Å; Q698-F703 HydrophobicContact CB-CD1 4.11Å; Q698-F703 HydrophobicContact CB-CE1 4.06Å; Q698-F703 HydrophobicContact CG-CD1 4.48Å; Q698-F703 HydrophobicContact CG-CE1 4.18Å; Q698-F703 HydrophobicContact CG-CZ 4.41Å; F703-F711 HydrophobicContact CB-CB 4.48Å; F703-F711 PolarHBondContact N-O 3.4Å; F703-F711 PolarHBondContact O-N 3.31Å; F703-L714 HydrophobicContact CB-CD2 4.28Å; F703-L714 HydrophobicContact CD1-CD1 4.29Å; F703-L714 HydrophobicContact CD1-CD2 3.6Å; F703-L714 HydrophobicContact CD1-CG 3.61Å; F703-L714 HydrophobicContact CE1-CD1 4Å; F703-L714 HydrophobicContact CE1-CD2 4.16Å; F703-L714 HydrophobicContact CE1-CG 3.67Å; F703-L714 HydrophobicContact CG-CD2 4Å; F703-L714 HydrophobicContact CG-CG 4.05Å; F703-L714 HydrophobicContact CZ-CG 4.17Å
704	V	79.3	Confident	78.5	Confident	5 Å²	5	37.6 Å²	37.6	3%	0.03	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	124.3	-175.7	-169.6	0	0	0	0	109.2	I696 Q697 E699 A709 Y710	I696-V704 WeakPolarHBondContact CA-O 3.37Å; Q697-V704 PolarHBondContact N-O 2.82Å; Q697-V704 PolarHBondContact O-N 3.02Å; E699-V704 HydrophobicContact CB-CG2 3.91Å; E699-V704 HydrophobicContact CG-CG2 3.79Å; V704-A709 WeakPolarHBondContact CA-O 3.09Å; V704-Y710 HydrophobicContact CB-CE1 4.49Å; V704-Y710 HydrophobicContact CG1-CE1 4.38Å; V704-Y710 HydrophobicContact CG2-CD1 3.54Å; V704-Y710 HydrophobicContact CG2-CE1 3.33Å; V704-Y710 HydrophobicContact CG2-CG 4.4Å
705	L	80.6	Confident	78.7	Confident	1 Å²	1	38 Å²	38	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	128.7	171.9	178.2	59.8	0	0	0	109.8	F694 I696 T707 A709 F711 L717 Y721 L726 M1141	F694-L705 HydrophobicContact CD2-CD1 3.15Å; F694-L705 HydrophobicContact CE2-CD1 3.17Å; F694-L705 HydrophobicContact CE2-CD2 3.96Å; F694-L705 HydrophobicContact CE2-CG 4.22Å; F694-L705 HydrophobicContact CG-CD1 4.17Å; F694-L705 HydrophobicContact CZ-CD1 4.2Å; F694-L705 HydrophobicContact CZ-CD2 4.39Å; I696-L705 HydrophobicContact CG1-CD1 4.17Å; L705-T707 PolarHBondContact O-N 3.09Å; L705-A709 HydrophobicContact CB-CB 4.21Å; L705-A709 PolarHBondContact N-O 2.92Å; L705-A709 WeakPolarHBondContact O-CB 3.45Å; L705-A709 PolarHBondContact O-N 3.08Å; L705-F711 HydrophobicContact CB-CE2 4.08Å; L705-L717 HydrophobicContact CB-CD1 4.34Å; L705-Y721 HydrophobicContact CD2-CE2 3.45Å; L705-Y721 VanDerWaalsContact CD2-CE2 3.45Å; L705-Y721 WeakPolarHBondContact CD2-OH 3.2Å; L705-L726 HydrophobicContact CD2-CD1 4.38Å; L705-M1141 HydrophobicContact CD1-CE 4.33Å; L705-M1141 HydrophobicContact CD1-SD 3.77Å; L705-M1141 HydrophobicContact CD2-CE 3.83Å; L705-M1141 HydrophobicContact CD2-SD 4.06Å; L705-M1141 HydrophobicContact CG-CE 3.7Å; L705-M1141 HydrophobicContact CG-SD 3.82Å
706	G	73.9	Confident	78.7	Confident	48 Å²	48	35 Å²	35	50%	0.495	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	-128.9	-172.1	0	0	0	0	0	111
707	T	64.9	Low	78.6	Confident	74 Å²	74	35 Å²	35	45%	0.454	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-11.4	-176.9	48.5	0	0	0	0	114.3	L705 D1106	L705-T707 PolarHBondContact O-N 3.09Å; T707-D1106 VanDerWaalsContact CB-OD1 3.28Å; T707-D1106 WeakPolarHBondContact CB-OD1 3.36Å; T707-D1106 VanDerWaalsContact CB-OD2 3.32Å; T707-D1106 WeakPolarHBondContact CB-OD2 3.18Å; T707-D1106 PolarHBondContact OG1-OD1 3.17Å
708	S	66.4	Low	78.7	Confident	11 Å²	11	32.7 Å²	32.7	8%	0.077	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-154.6	-4	-164.8	59.7	0	0	0	0	116.7	Y710 I1080	S708-Y710 WeakPolarHBondContact O-CD2 3.23Å; S708-I1080 PolarHBondContact OG-N 2.98Å
709	A	77.7	Confident	78.8	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	103.5	176.5	0	0	0	0	0	111.4	V704 L705 F711	V704-A709 WeakPolarHBondContact CA-O 3.09Å; L705-A709 HydrophobicContact CB-CB 4.21Å; L705-A709 PolarHBondContact N-O 2.92Å; L705-A709 WeakPolarHBondContact O-CB 3.45Å; L705-A709 PolarHBondContact O-N 3.08Å; A709-F711 HydrophobicContact CB-CE2 3.89Å; A709-F711 HydrophobicContact CB-CZ 4.47Å
710	Y	78.5	Confident	79.1	Confident	96 Å²	96	31.2 Å²	31.2	38%	0.376	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	133.7	-179.8	-69.6	-94.1	0	0	0	112.1	E699 H702 V704 S708 R1078	E699-Y710 PolarHBondContact OE2-OH 3.48Å; H702-Y710 HydrophobicContact CB-CD1 3.97Å; V704-Y710 HydrophobicContact CB-CE1 4.49Å; V704-Y710 HydrophobicContact CG1-CE1 4.38Å; V704-Y710 HydrophobicContact CG2-CD1 3.54Å; V704-Y710 HydrophobicContact CG2-CE1 3.33Å; V704-Y710 HydrophobicContact CG2-CG 4.4Å; S708-Y710 WeakPolarHBondContact O-CD2 3.23Å; Y710-R1078 PolarHBondContact O-NE 2.9Å; Y710-R1078 PolarHBondContact O-NH2 3.46Å
711	F	81.7	Confident	79.7	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	146	175.1	-60.1	-90.2	0	0	0	110.5	H702 F703 L705 A709 S713 E716 L717 Y720 Y721	H702-F711 CarbonylContact C-O 3.46Å; H702-F711 VanDerWaalsContact CA-O 3.32Å; H702-F711 WeakPolarHBondContact CA-O 3.43Å; F703-F711 HydrophobicContact CB-CB 4.48Å; F703-F711 PolarHBondContact N-O 3.4Å; F703-F711 PolarHBondContact O-N 3.31Å; L705-F711 HydrophobicContact CB-CE2 4.08Å; A709-F711 HydrophobicContact CB-CE2 3.89Å; A709-F711 HydrophobicContact CB-CZ 4.47Å; F711-S713 VanDerWaalsContact C-N 3.31Å; F711-E716 HydrophobicContact CD1-CG 4.36Å; F711-L717 HydrophobicContact CB-CB 4.17Å; F711-L717 HydrophobicContact CD1-CB 3.9Å; F711-L717 HydrophobicContact CD1-CG 4.4Å; F711-L717 HydrophobicContact CD2-CB 4.09Å; F711-L717 HydrophobicContact CD2-CD1 3.72Å; F711-L717 HydrophobicContact CD2-CG 3.96Å; F711-L717 HydrophobicContact CE1-CB 4.29Å; F711-L717 HydrophobicContact CE1-CG 4.41Å; F711-L717 HydrophobicContact CE2-CB 4.46Å; F711-L717 HydrophobicContact CE2-CD1 3.94Å; F711-L717 HydrophobicContact CE2-CG 3.96Å; F711-L717 HydrophobicContact CG-CB 3.78Å; F711-L717 HydrophobicContact CG-CD1 4.26Å; F711-L717 HydrophobicContact CG-CG 4.18Å; F711-L717 HydrophobicContact CZ-CG 4.19Å; F711-Y720 HydrophobicContact CE1-CD1 4.07Å; F711-Y720 AromaticContact CE1-CG 3.94Å; F711-Y720 HydrophobicContact CE1-CG 3.94Å; F711-Y720 HydrophobicContact CZ-CD1 4.21Å; F711-Y721 HydrophobicContact CE2-CE2 4.29Å; F711-Y721 AromaticContact CZ-CE2 3.73Å; F711-Y721 HydrophobicContact CZ-CE2 3.73Å
712	E	76.8	Confident	80.3	Confident	67 Å²	67	30.9 Å²	30.9	31%	0.313	17%	0.166	S	C	.	.	S	Bend	trans	-73	-25.4	175.9	-61	-169.1	147.6	0	0	112	K531 E716	K531-E712 IonicContact NZ-OE2 2.77Å; K531-E712 PolarHBondContact NZ-OE2 2.96Å; E712-E716 VanDerWaalsContact CB-OE2 3.29Å; E712-E716 WeakPolarHBondContact CB-OE2 3.44Å; E712-E716 PolarHBondContact N-OE2 2.98Å
713	S	82.8	Confident	80.5	Confident	16 Å²	16	34.4 Å²	34.4	11%	0.112	18%	0.181	C	C	.	.			trans	-154.8	159.6	176.5	67	0	0	0	0	111.8	F711 V715 E716 L717	F711-S713 VanDerWaalsContact C-N 3.31Å; S713-V715 PolarHBondContact O-N 3.11Å; S713-V715 PolarHBondContact OG-N 3.49Å; S713-E716 PolarHBondContact O-N 3.07Å; S713-E716 PolarHBondContact OG-N 3.13Å; S713-E716 VanDerWaalsContact OG-N 3.1Å; S713-L717 PolarHBondContact O-N 3.44Å; S713-L717 VanDerWaalsContact O-N 3.09Å
714	L	84.5	Confident	80.4	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.8	-28.1	169.5	-69.6	177.5	0	0	0	112.7	H642 W647 I672 F681 I696 F703 L717 V718	H642-L714 HydrophobicContact CB-CB 3.87Å; H642-L714 HydrophobicContact CB-CD1 4.3Å; W647-L714 HydrophobicContact CH2-CB 4.16Å; W647-L714 HydrophobicContact CZ3-CB 4.48Å; I672-L714 HydrophobicContact CD1-CD2 4.41Å; I672-L714 HydrophobicContact CG2-CD1 4.12Å; F681-L714 HydrophobicContact CD1-CD1 3.84Å; F681-L714 HydrophobicContact CE1-CD1 4.02Å; F681-L714 HydrophobicContact CG-CD1 4.13Å; F681-L714 HydrophobicContact CZ-CD1 4.49Å; I696-L714 HydrophobicContact CD1-CD2 3.88Å; I696-L714 HydrophobicContact CG2-CD2 3.86Å; F703-L714 HydrophobicContact CB-CD2 4.28Å; F703-L714 HydrophobicContact CD1-CD1 4.29Å; F703-L714 HydrophobicContact CD1-CD2 3.6Å; F703-L714 HydrophobicContact CD1-CG 3.61Å; F703-L714 HydrophobicContact CE1-CD1 4Å; F703-L714 HydrophobicContact CE1-CD2 4.16Å; F703-L714 HydrophobicContact CE1-CG 3.67Å; F703-L714 HydrophobicContact CG-CD2 4Å; F703-L714 HydrophobicContact CG-CG 4.05Å; F703-L714 HydrophobicContact CZ-CG 4.17Å; L714-L717 HydrophobicContact CD2-CD1 4.43Å; L714-L717 WeakPolarHBondContact O-CB 3.29Å; L714-L717 PolarHBondContact O-N 2.83Å; L714-V718 WeakPolarHBondContact O-CG2 3.35Å; L714-V718 PolarHBondContact O-N 3.38Å
715	V	86.4	Confident	80.4	Confident	30 Å²	30	41.1 Å²	41.1	18%	0.182	22%	0.218	C	C	.	.	H	α-helix	trans	-68.4	-44.6	175.8	178.6	0	0	0	0	110.6	P641 H642 K645 W647 S713 L717 V718 T719	P641-V715 HydrophobicContact CB-CG2 4.02Å; P641-V715 HydrophobicContact CG-CB 4.28Å; P641-V715 HydrophobicContact CG-CG2 3.79Å; H642-V715 HydrophobicContact CB-CG2 4.12Å; K645-V715 HydrophobicContact CG-CG2 4.08Å; W647-V715 HydrophobicContact CH2-CG2 4.21Å; W647-V715 HydrophobicContact CZ2-CG2 4.05Å; S713-V715 PolarHBondContact O-N 3.11Å; S713-V715 PolarHBondContact OG-N 3.49Å; V715-L717 VanDerWaalsContact C-N 3.27Å; V715-L717 PolarHBondContact O-N 3.24Å; V715-V718 PolarHBondContact O-N 2.99Å; V715-T719 WeakPolarHBondContact O-CB 3.18Å; V715-T719 PolarHBondContact O-N 2.85Å; V715-T719 PolarHBondContact O-OG1 2.83Å; V715-T719 VanDerWaalsContact O-OG1 3.08Å
716	E	85.1	Confident	80.4	Confident	55 Å²	55	41.6 Å²	41.6	26%	0.257	22%	0.22	S	C	.	.	H	α-helix	trans	-59.6	-41	173.6	-171.7	-162.1	162.1	0	0	111	F711 E712 S713 T719 Y720 R1078	F711-E716 HydrophobicContact CD1-CG 4.36Å; E712-E716 VanDerWaalsContact CB-OE2 3.29Å; E712-E716 WeakPolarHBondContact CB-OE2 3.44Å; E712-E716 PolarHBondContact N-OE2 2.98Å; S713-E716 PolarHBondContact O-N 3.07Å; S713-E716 PolarHBondContact OG-N 3.13Å; S713-E716 VanDerWaalsContact OG-N 3.1Å; E716-T719 PolarHBondContact O-N 2.81Å; E716-Y720 VanDerWaalsContact O-CB 3.27Å; E716-Y720 WeakPolarHBondContact O-CB 3.34Å; E716-Y720 PolarHBondContact O-N 2.96Å; E716-R1078 IonicContact OE1-CZ 2.99Å; E716-R1078 VanDerWaalsContact OE1-CZ 3.3Å; E716-R1078 IonicContact OE1-NH1 3.53Å; E716-R1078 PolarHBondContact OE1-NH1 3.24Å; E716-R1078 IonicContact OE1-NH2 3.93Å; E716-R1078 PolarHBondContact OE1-NH2 3.23Å
717	L	87.4	Confident	80.4	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-58.9	-50.5	176.4	-174.9	158.5	0	0	0	111.4	M683 I696 L705 F711 S713 L714 V715 Y720 Y721	M683-L717 HydrophobicContact CE-CD2 3.48Å; M683-L717 VanDerWaalsContact CE-CD2 3.48Å; M683-L717 HydrophobicContact SD-CD2 4.41Å; I696-L717 HydrophobicContact CD1-CD1 3.95Å; I696-L717 HydrophobicContact CD1-CD2 4.42Å; I696-L717 HydrophobicContact CG1-CD1 4.27Å; I696-L717 HydrophobicContact CG2-CD1 4.29Å; L705-L717 HydrophobicContact CB-CD1 4.34Å; F711-L717 HydrophobicContact CB-CB 4.17Å; F711-L717 HydrophobicContact CD1-CB 3.9Å; F711-L717 HydrophobicContact CD1-CG 4.4Å; F711-L717 HydrophobicContact CD2-CB 4.09Å; F711-L717 HydrophobicContact CD2-CD1 3.72Å; F711-L717 HydrophobicContact CD2-CG 3.96Å; F711-L717 HydrophobicContact CE1-CB 4.29Å; F711-L717 HydrophobicContact CE1-CG 4.41Å; F711-L717 HydrophobicContact CE2-CB 4.46Å; F711-L717 HydrophobicContact CE2-CD1 3.94Å; F711-L717 HydrophobicContact CE2-CG 3.96Å; F711-L717 HydrophobicContact CG-CB 3.78Å; F711-L717 HydrophobicContact CG-CD1 4.26Å; F711-L717 HydrophobicContact CG-CG 4.18Å; F711-L717 HydrophobicContact CZ-CG 4.19Å; S713-L717 PolarHBondContact O-N 3.44Å; S713-L717 VanDerWaalsContact O-N 3.09Å; L714-L717 HydrophobicContact CD2-CD1 4.43Å; L714-L717 WeakPolarHBondContact O-CB 3.29Å; L714-L717 PolarHBondContact O-N 2.83Å; V715-L717 VanDerWaalsContact C-N 3.27Å; V715-L717 PolarHBondContact O-N 3.24Å; L717-Y720 PolarHBondContact O-N 3.03Å; L717-Y721 HydrophobicContact CD2-CD2 3.88Å; L717-Y721 HydrophobicContact CD2-CE2 4.26Å; L717-Y721 HydrophobicContact CG-CD2 4.15Å; L717-Y721 HydrophobicContact CG-CE2 4.18Å; L717-Y721 VanDerWaalsContact O-CD2 3.27Å; L717-Y721 WeakPolarHBondContact O-CD2 3.43Å; L717-Y721 PolarHBondContact O-N 3.21Å; L717-Y721 VanDerWaalsContact O-N 3.11Å
718	V	87.8	Confident	81	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.006	20%	0.198	C	C	.	.	H	α-helix	trans	-62.7	-49.6	178.5	171.7	0	0	0	0	110.8	W647 F670 I672 L714 V715 Y720 Y721 E722 L732	W647-V718 HydrophobicContact CD2-CG2 4.37Å; W647-V718 HydrophobicContact CE3-CG2 4.32Å; W647-V718 HydrophobicContact CH2-CB 4.48Å; W647-V718 HydrophobicContact CH2-CG2 3.78Å; W647-V718 HydrophobicContact CZ2-CB 4.07Å; W647-V718 HydrophobicContact CZ2-CG1 4.4Å; W647-V718 HydrophobicContact CZ2-CG2 3.78Å; W647-V718 HydrophobicContact CZ3-CG2 4.07Å; F670-V718 HydrophobicContact CE2-CG1 3.72Å; F670-V718 HydrophobicContact CE2-CG2 3.98Å; F670-V718 HydrophobicContact CZ-CG1 3.6Å; I672-V718 HydrophobicContact CD1-CG2 3.6Å; L714-V718 WeakPolarHBondContact O-CG2 3.35Å; L714-V718 PolarHBondContact O-N 3.38Å; V715-V718 PolarHBondContact O-N 2.99Å; V718-Y720 PolarHBondContact O-N 3.11Å; V718-Y721 CarbonylContact O-C 3.57Å; V718-Y721 PolarHBondContact O-N 3.34Å; V718-E722 HydrophobicContact CG1-CG 4.18Å; V718-E722 WeakPolarHBondContact O-CG 3.46Å; V718-E722 PolarHBondContact O-N 2.99Å; V718-L732 HydrophobicContact CG1-CD1 4.3Å; V718-L732 HydrophobicContact CG2-CD1 4.41Å
719	T	85.3	Confident	81.2	Confident	59 Å²	59	50.8 Å²	50.8	36%	0.362	24%	0.235	S	C	.	.	H	α-helix	trans	-59.4	-33.8	178.5	-60.4	0	0	0	0	112.8	V715 E716 E722	V715-T719 WeakPolarHBondContact O-CB 3.18Å; V715-T719 PolarHBondContact O-N 2.85Å; V715-T719 PolarHBondContact O-OG1 2.83Å; V715-T719 VanDerWaalsContact O-OG1 3.08Å; E716-T719 PolarHBondContact O-N 2.81Å; T719-E722 WeakPolarHBondContact CA-OE2 3.18Å
720	Y	82.8	Confident	81.4	Confident	45 Å²	45	52.1 Å²	52.1	18%	0.176	24%	0.242	C	C	.	.	H	α-helix	trans	-64.9	-48.6	173.5	-179.5	-91.6	0	0	0	111.2	F711 E716 L717 V718 K723 H724	F711-Y720 HydrophobicContact CE1-CD1 4.07Å; F711-Y720 AromaticContact CE1-CG 3.94Å; F711-Y720 HydrophobicContact CE1-CG 3.94Å; F711-Y720 HydrophobicContact CZ-CD1 4.21Å; E716-Y720 VanDerWaalsContact O-CB 3.27Å; E716-Y720 WeakPolarHBondContact O-CB 3.34Å; E716-Y720 PolarHBondContact O-N 2.96Å; L717-Y720 PolarHBondContact O-N 3.03Å; V718-Y720 PolarHBondContact O-N 3.11Å; Y720-K723 PolarHBondContact O-N 2.83Å; Y720-K723 VanDerWaalsContact O-N 3.17Å; Y720-H724 HydrophobicContact CD1-CB 4.27Å; Y720-H724 AromaticContact CD2-CE1 3.83Å; Y720-H724 AromaticContact CD2-ND1 3.57Å; Y720-H724 HydrophobicContact CE1-CB 3.83Å; Y720-H724 AromaticContact CE1-CG 3.96Å; Y720-H724 AromaticContact CE2-CE1 3.63Å; Y720-H724 AromaticContact CE2-CG 3.94Å; Y720-H724 AromaticContact CE2-ND1 3.51Å; Y720-H724 AromaticContact CG-ND1 3.87Å; Y720-H724 AromaticContact CZ-CG 3.71Å; Y720-H724 AromaticContact CZ-ND1 3.75Å; Y720-H724 WeakPolarHBondContact O-CB 3.17Å; Y720-H724 PolarHBondContact O-N 3.29Å; Y720-H724 PolarHBondContact O-ND1 3.45Å
721	Y	85.1	Confident	81.7	Confident	13 Å²	13	50.7 Å²	50.7	5%	0.051	24%	0.237	C	C	.	.	H	α-helix	trans	-83.1	-7.9	-177.1	-72.2	-64.8	0	0	0	115.4	L705 F711 L717 V718 K723 H724 L726 K731 L732	L705-Y721 HydrophobicContact CD2-CE2 3.45Å; L705-Y721 VanDerWaalsContact CD2-CE2 3.45Å; L705-Y721 WeakPolarHBondContact CD2-OH 3.2Å; F711-Y721 HydrophobicContact CE2-CE2 4.29Å; F711-Y721 AromaticContact CZ-CE2 3.73Å; F711-Y721 HydrophobicContact CZ-CE2 3.73Å; L717-Y721 HydrophobicContact CD2-CD2 3.88Å; L717-Y721 HydrophobicContact CD2-CE2 4.26Å; L717-Y721 HydrophobicContact CG-CD2 4.15Å; L717-Y721 HydrophobicContact CG-CE2 4.18Å; L717-Y721 VanDerWaalsContact O-CD2 3.27Å; L717-Y721 WeakPolarHBondContact O-CD2 3.43Å; L717-Y721 PolarHBondContact O-N 3.21Å; L717-Y721 VanDerWaalsContact O-N 3.11Å; V718-Y721 CarbonylContact O-C 3.57Å; V718-Y721 PolarHBondContact O-N 3.34Å; Y721-K723 VanDerWaalsContact C-N 3.3Å; Y721-H724 CarbonylContact C-O 3.49Å; Y721-H724 WeakPolarHBondContact CA-O 3.33Å; Y721-L726 HydrophobicContact CD1-CB 3.61Å; Y721-L726 HydrophobicContact CD1-CD1 3.69Å; Y721-L726 HydrophobicContact CD1-CG 4.23Å; Y721-L726 HydrophobicContact CD2-CD1 4.05Å; Y721-L726 HydrophobicContact CE1-CB 4.2Å; Y721-L726 HydrophobicContact CE1-CD1 3.62Å; Y721-L726 HydrophobicContact CE2-CD1 4.01Å; Y721-L726 HydrophobicContact CG-CB 4.05Å; Y721-L726 HydrophobicContact CG-CD1 3.9Å; Y721-L726 HydrophobicContact CG-CG 4.45Å; Y721-K731 WeakPolarHBondContact O-CB 3.41Å; Y721-L732 PolarHBondContact O-N 3.38Å
722	E	83.8	Confident	81.8	Confident	80 Å²	80	50.8 Å²	50.8	37%	0.374	24%	0.238	S	C	.	.	H	α-helix	trans	-68.7	-34	161.1	-74.9	170.9	161.3	0	0	110.7	V718 T719 K731 L732	V718-E722 HydrophobicContact CG1-CG 4.18Å; V718-E722 WeakPolarHBondContact O-CG 3.46Å; V718-E722 PolarHBondContact O-N 2.99Å; T719-E722 WeakPolarHBondContact CA-OE2 3.18Å; E722-K731 WeakPolarHBondContact O-CD 3.49Å; E722-L732 WeakPolarHBondContact CA-O 3.4Å; E722-L732 HydrophobicContact CG-CB 4.19Å
723	K	79	Confident	82	Confident	122 Å²	122	53 Å²	53	53%	0.53	24%	0.243	S	C	.	.	H	α-helix	trans	-93.8	-32	-178.4	-64.2	-176.8	179.6	-171.6	0	113	Y720 Y721 K731	Y720-K723 PolarHBondContact O-N 2.83Å; Y720-K723 VanDerWaalsContact O-N 3.17Å; Y721-K723 VanDerWaalsContact C-N 3.3Å; K723-K731 VanDerWaalsContact O-CE 3.25Å; K723-K731 WeakPolarHBondContact O-CE 3.45Å; K723-K731 PolarHBondContact O-NZ 2.77Å
724	H	78	Confident	82.1	Confident	81 Å²	81	54.8 Å²	54.8	38%	0.375	25%	0.248	S	C	.	.	S	Bend	trans	-114.5	143	-177.1	-56	84.1	0	0	0	111.2	Y720 Y721 L726	Y720-H724 HydrophobicContact CD1-CB 4.27Å; Y720-H724 AromaticContact CD2-CE1 3.83Å; Y720-H724 AromaticContact CD2-ND1 3.57Å; Y720-H724 HydrophobicContact CE1-CB 3.83Å; Y720-H724 AromaticContact CE1-CG 3.96Å; Y720-H724 AromaticContact CE2-CE1 3.63Å; Y720-H724 AromaticContact CE2-CG 3.94Å; Y720-H724 AromaticContact CE2-ND1 3.51Å; Y720-H724 AromaticContact CG-ND1 3.87Å; Y720-H724 AromaticContact CZ-CG 3.71Å; Y720-H724 AromaticContact CZ-ND1 3.75Å; Y720-H724 WeakPolarHBondContact O-CB 3.17Å; Y720-H724 PolarHBondContact O-N 3.29Å; Y720-H724 PolarHBondContact O-ND1 3.45Å; Y721-H724 CarbonylContact C-O 3.49Å; Y721-H724 WeakPolarHBondContact CA-O 3.33Å; H724-L726 PolarHBondContact O-N 3.42Å
725	P	79.8	Confident	82.2	Confident	65 Å²	65	57.1 Å²	57.1	42%	0.422	26%	0.263	S	S	.	.			trans	-57.7	134.5	175.2	-22.1	33.3	0	0	0	111.7	R728 M730	P725-R728 WeakPolarHBondContact CB-O 3.36Å; P725-M730 CarbonylContact C-O 3.45Å; P725-M730 WeakPolarHBondContact CA-O 3.31Å
726	L	80.5	Confident	82.2	Confident	11 Å²	11	55.7 Å²	55.7	6%	0.058	26%	0.255	C	S	.	.	S	Bend	trans	-95.1	-43.7	174.4	173.6	62.9	0	0	0	111.1	M683 F685 F694 L705 Y721 H724 M730 L732 F1142	M683-L726 HydrophobicContact CE-CD1 4.44Å; M683-L726 HydrophobicContact CE-CD2 3.76Å; F685-L726 HydrophobicContact CD1-CD2 4.34Å; F685-L726 HydrophobicContact CE1-CD2 4.43Å; F694-L726 HydrophobicContact CE1-CD1 3.9Å; F694-L726 HydrophobicContact CE1-CD2 3.73Å; F694-L726 HydrophobicContact CE1-CG 4.05Å; F694-L726 HydrophobicContact CZ-CD1 3.54Å; F694-L726 HydrophobicContact CZ-CD2 3.7Å; F694-L726 HydrophobicContact CZ-CG 4.07Å; L705-L726 HydrophobicContact CD2-CD1 4.38Å; Y721-L726 HydrophobicContact CD1-CB 3.61Å; Y721-L726 HydrophobicContact CD1-CD1 3.69Å; Y721-L726 HydrophobicContact CD1-CG 4.23Å; Y721-L726 HydrophobicContact CD2-CD1 4.05Å; Y721-L726 HydrophobicContact CE1-CB 4.2Å; Y721-L726 HydrophobicContact CE1-CD1 3.62Å; Y721-L726 HydrophobicContact CE2-CD1 4.01Å; Y721-L726 HydrophobicContact CG-CB 4.05Å; Y721-L726 HydrophobicContact CG-CD1 3.9Å; Y721-L726 HydrophobicContact CG-CG 4.45Å; H724-L726 PolarHBondContact O-N 3.42Å; L726-M730 HydrophobicContact CD2-CE 4.48Å; L726-M730 PolarHBondContact N-O 3.19Å; L726-L732 HydrophobicContact CD2-CD2 3.52Å; L726-L732 HydrophobicContact CD2-CG 4.09Å; L726-F1142 VanDerWaalsContact O-CE2 3.29Å; L726-F1142 WeakPolarHBondContact O-CE2 3.37Å
727	Y	74.6	Confident	82.1	Confident	7 Å²	7	54.5 Å²	54.5	3%	0.027	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-132.3	114.4	-178.5	-179.7	-107.4	0	0	0	108.9	F685 A687 K692 K729 M730 F1142 D1144	F685-Y727 HydrophobicContact CE2-CD1 4.43Å; F685-Y727 HydrophobicContact CE2-CG 4.14Å; F685-Y727 HydrophobicContact CZ-CG 4.24Å; A687-Y727 HydrophobicContact CB-CD1 3.76Å; A687-Y727 HydrophobicContact CB-CE1 4.24Å; K692-Y727 HydrophobicContact CD-CE1 4.44Å; K692-Y727 HydrophobicContact CD-CE2 4.41Å; K692-Y727 PolarHBondContact NZ-OH 3.27Å; Y727-K729 PolarHBondContact O-N 2.99Å; Y727-K729 VanDerWaalsContact O-N 3.09Å; Y727-M730 PolarHBondContact N-O 3.02Å; Y727-M730 WeakPolarHBondContact O-CA 3.26Å; Y727-M730 VanDerWaalsContact O-CB 3.23Å; Y727-M730 WeakPolarHBondContact O-CB 3.33Å; Y727-M730 PolarHBondContact O-N 2.83Å; Y727-F1142 HydrophobicContact CD2-CB 4.07Å; Y727-F1142 AromaticContact CD2-CD1 3.95Å; Y727-F1142 HydrophobicContact CD2-CD1 3.95Å; Y727-F1142 AromaticContact CD2-CD2 3.59Å; Y727-F1142 HydrophobicContact CD2-CD2 3.59Å; Y727-F1142 HydrophobicContact CD2-CE1 4.27Å; Y727-F1142 AromaticContact CD2-CE2 3.94Å; Y727-F1142 HydrophobicContact CD2-CE2 3.94Å; Y727-F1142 AromaticContact CD2-CG 3.58Å; Y727-F1142 HydrophobicContact CD2-CG 3.58Å; Y727-F1142 HydrophobicContact CD2-CZ 4.27Å; Y727-F1142 HydrophobicContact CE2-CB 3.83Å; Y727-F1142 HydrophobicContact CE2-CD1 4.29Å; Y727-F1142 HydrophobicContact CE2-CD2 4.22Å; Y727-F1142 AromaticContact CE2-CG 3.85Å; Y727-F1142 HydrophobicContact CE2-CG 3.85Å; Y727-D1144 WeakPolarHBondContact CE2-OD2 3.42Å; Y727-D1144 PolarHBondContact OH-OD2 2.95Å
728	R	76.8	Confident	81.6	Confident	121 Å²	121	61.2 Å²	61.2	46%	0.457	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	-113.8	-173.6	-59.6	179.1	175.2	178.3	-3.8	111.2	E688 P725 D1144	E688-R728 VanDerWaalsContact CD-NH1 3.27Å; E688-R728 IonicContact OE1-CZ 3.27Å; E688-R728 IonicContact OE1-NE 3.13Å; E688-R728 IonicContact OE1-NH1 2.7Å; E688-R728 PolarHBondContact OE1-NH1 3.24Å; E688-R728 IonicContact OE2-NH1 2.78Å; E688-R728 PolarHBondContact OE2-NH1 2.96Å; E688-R728 VanDerWaalsContact OE2-NH1 3.09Å; P725-R728 WeakPolarHBondContact CB-O 3.36Å; R728-D1144 IonicContact CZ-OD2 3.47Å; R728-D1144 IonicContact NE-OD2 3.02Å; R728-D1144 PolarHBondContact NE-OD2 3.33Å; R728-D1144 IonicContact NH2-OD1 2.8Å; R728-D1144 PolarHBondContact NH2-OD1 3.36Å; R728-D1144 IonicContact NH2-OD2 3.25Å; R728-D1144 PolarHBondContact NH2-OD2 3.11Å
729	K	71.9	Confident	81	Confident	197 Å²	197	66.7 Å²	66.7	86%	0.857	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-4.1	175.8	-64	-176.9	179.3	178.4	0	113.3	Y727	Y727-K729 PolarHBondContact O-N 2.99Å; Y727-K729 VanDerWaalsContact O-N 3.09Å
730	M	81.4	Confident	80.3	Confident	29 Å²	29	65.3 Å²	65.3	14%	0.143	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-79.3	130.8	-175.4	-168.6	-146.5	68.4	0	0	111.2	G668 F685 A687 P725 L726 Y727	G668-M730 PolarHBondContact N-SD 2.66Å; F685-M730 HydrophobicContact CD2-CE 3.3Å; F685-M730 HydrophobicContact CD2-SD 3.77Å; F685-M730 HydrophobicContact CE2-CE 3.53Å; F685-M730 HydrophobicContact CE2-SD 4.08Å; F685-M730 HydrophobicContact CG-CE 4.19Å; A687-M730 HydrophobicContact CB-SD 3.61Å; P725-M730 CarbonylContact C-O 3.45Å; P725-M730 WeakPolarHBondContact CA-O 3.31Å; L726-M730 HydrophobicContact CD2-CE 4.48Å; L726-M730 PolarHBondContact N-O 3.19Å; Y727-M730 PolarHBondContact N-O 3.02Å; Y727-M730 WeakPolarHBondContact O-CA 3.26Å; Y727-M730 VanDerWaalsContact O-CB 3.23Å; Y727-M730 WeakPolarHBondContact O-CB 3.33Å; Y727-M730 PolarHBondContact O-N 2.83Å
731	K	83.8	Confident	80	Confident	65 Å²	65	64 Å²	64	28%	0.283	29%	0.294	S	S	.	.			trans	-104.2	162	171.5	-56.7	-173.8	-172	-175.6	0	109.8	Y721 E722 K723	Y721-K731 WeakPolarHBondContact O-CB 3.41Å; E722-K731 WeakPolarHBondContact O-CD 3.49Å; K723-K731 VanDerWaalsContact O-CE 3.25Å; K723-K731 WeakPolarHBondContact O-CE 3.45Å; K723-K731 PolarHBondContact O-NZ 2.77Å
732	L	84.1	Confident	79.3	Confident	3 Å²	3	69.8 Å²	69.8	2%	0.016	32%	0.322	C	S	.	.			trans	-68.5	132.6	167.3	-60.7	-177.3	0	0	0	109.1	F670 M683 V718 Y721 E722 L726	F670-L732 HydrophobicContact CB-CD2 3.73Å; F670-L732 HydrophobicContact CD1-CB 3.85Å; F670-L732 HydrophobicContact CD1-CD2 4.09Å; F670-L732 HydrophobicContact CD1-CG 4.41Å; F670-L732 HydrophobicContact CD2-CD1 4.05Å; F670-L732 HydrophobicContact CD2-CD2 4.13Å; F670-L732 HydrophobicContact CD2-CG 4.5Å; F670-L732 HydrophobicContact CE1-CB 3.84Å; F670-L732 HydrophobicContact CE2-CD1 4.08Å; F670-L732 HydrophobicContact CG-CB 4.25Å; F670-L732 HydrophobicContact CG-CD1 4.36Å; F670-L732 HydrophobicContact CG-CD2 3.71Å; F670-L732 HydrophobicContact CG-CG 4.32Å; F670-L732 HydrophobicContact CZ-CB 4.25Å; F670-L732 HydrophobicContact CZ-CD1 4.41Å; M683-L732 HydrophobicContact CE-CD1 3.8Å; M683-L732 HydrophobicContact CE-CD2 4.42Å; M683-L732 HydrophobicContact SD-CD1 3.74Å; M683-L732 HydrophobicContact SD-CD2 4.18Å; V718-L732 HydrophobicContact CG1-CD1 4.3Å; V718-L732 HydrophobicContact CG2-CD1 4.41Å; Y721-L732 PolarHBondContact O-N 3.38Å; E722-L732 WeakPolarHBondContact CA-O 3.4Å; E722-L732 HydrophobicContact CG-CB 4.19Å; L726-L732 HydrophobicContact CD2-CD2 3.52Å; L726-L732 HydrophobicContact CD2-CG 4.09Å
733	R	81.8	Confident	78.5	Confident	112 Å²	112	73 Å²	73	42%	0.423	33%	0.331	S	S	.	.			trans	-137.2	-51.8	-174.1	-70.8	-173.6	176.4	-155.9	-2.6	113.7	G668 P735	G668-R733 PolarHBondContact O-N 2.84Å; R733-P735 VanDerWaalsContact O-CD 3.3Å; R733-P735 WeakPolarHBondContact O-CD 3.31Å
734	Y	83.4	Confident	77.5	Confident	55 Å²	55	69.7 Å²	69.7	22%	0.216	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	99.2	-170.4	-45.3	-75.2	0	0	0	109.7	R666 D667 G668 A669 F670 V736	R666-Y734 HydrophobicContact CB-CD2 4.04Å; R666-Y734 HydrophobicContact CB-CE2 3.83Å; D667-Y734 VanDerWaalsContact O-CE2 3.32Å; D667-Y734 WeakPolarHBondContact O-CE2 3.46Å; G668-Y734 PolarHBondContact O-N 2.84Å; A669-Y734 CarbonylContact C-O 3.58Å; A669-Y734 VanDerWaalsContact CA-O 3.27Å; A669-Y734 WeakPolarHBondContact CA-O 3.22Å; A669-Y734 HydrophobicContact CB-CD2 4.45Å; F670-Y734 WeakPolarHBondContact CD1-O 3.27Å; F670-Y734 PolarHBondContact N-O 3.37Å; Y734-V736 PolarHBondContact O-N 3.32Å
735	P	88.1	Confident	76.2	Confident	49 Å²	49	68.9 Å²	68.9	32%	0.318	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	120.5	172.3	26.9	-32.8	0	0	0	108.5	W647 F670 R733 T737	W647-P735 HydrophobicContact CB-CB 3.73Å; W647-P735 HydrophobicContact CG-CB 4.34Å; F670-P735 HydrophobicContact CE1-CB 4.22Å; F670-P735 HydrophobicContact CZ-CB 4.26Å; R733-P735 VanDerWaalsContact O-CD 3.3Å; R733-P735 WeakPolarHBondContact O-CD 3.31Å; P735-T737 PolarHBondContact O-N 2.92Å
736	V	86.3	Confident	74.3	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	33%	0.332	C	S	.	.			trans	-73.8	116.3	178.3	-179.7	0	0	0	0	108.5	Y649 M660 L661 I664 A669 F670 L671 Y734 L741	Y649-V736 PolarHBondContact OH-O 3.1Å; M660-V736 HydrophobicContact CB-CG1 4.19Å; M660-V736 HydrophobicContact CE-CG1 4.11Å; L661-V736 HydrophobicContact CD1-CG2 4.04Å; L661-V736 HydrophobicContact CG-CG2 4.02Å; I664-V736 HydrophobicContact CD1-CB 4.07Å; I664-V736 HydrophobicContact CD1-CG1 3.7Å; I664-V736 HydrophobicContact CD1-CG2 3.45Å; I664-V736 VanDerWaalsContact CD1-CG2 3.45Å; A669-V736 HydrophobicContact CB-CG2 4.2Å; F670-V736 WeakPolarHBondContact O-CG2 3.37Å; F670-V736 PolarHBondContact O-N 3.41Å; L671-V736 HydrophobicContact CB-CB 4.33Å; L671-V736 HydrophobicContact CD2-CB 4.15Å; L671-V736 HydrophobicContact CD2-CG1 4.27Å; Y734-V736 PolarHBondContact O-N 3.32Å; V736-L741 HydrophobicContact CG1-CD1 4.15Å; V736-L741 HydrophobicContact CG1-CD2 4.19Å; V736-L741 HydrophobicContact CG1-CG 4.12Å
737	T	83.3	Confident	72.5	Confident	29 Å²	29	79 Å²	79	18%	0.178	37%	0.368	C	S	.	.			trans	-122.4	161.5	175.8	66.9	0	0	0	0	110.1	D646 P735 E739 L740 L741	D646-T737 HydrophobicContact CB-CG2 3.65Å; P735-T737 PolarHBondContact O-N 2.92Å; T737-E739 VanDerWaalsContact C-N 3.27Å; T737-E739 PolarHBondContact O-N 3.16Å; T737-L740 PolarHBondContact O-N 2.84Å; T737-L740 VanDerWaalsContact O-N 3.16Å; T737-L740 PolarHBondContact OG1-N 3.09Å; T737-L741 WeakPolarHBondContact O-CG 3.06Å; T737-L741 PolarHBondContact O-N 3.36Å; T737-L741 VanDerWaalsContact O-N 3.07Å
738	E	77.1	Confident	70.7	Confident	142 Å²	142	88.1 Å²	88.1	66%	0.664	41%	0.408	S	S	*	.	H	α-helix	trans	-58	-41.1	174.9	-69.4	-178.1	173	0	0	111.6	L740 L741 E742	E738-L740 VanDerWaalsContact C-N 3.33Å; E738-L740 PolarHBondContact O-N 3.35Å; E738-L741 WeakPolarHBondContact O-CB 3.44Å; E738-L741 PolarHBondContact O-N 2.99Å; E738-L741 VanDerWaalsContact O-N 3.14Å; E738-E742 WeakPolarHBondContact O-CG 3.41Å; E738-E742 PolarHBondContact O-N 2.91Å
739	E	73.6	Confident	68.6	Low	115 Å²	115	89 Å²	89	54%	0.537	42%	0.422	S	S	.	.	H	α-helix	trans	-60.3	-40.7	175.8	-169.2	-170.5	163.4	0	0	112.1	T737 L741 E742 R743	T737-E739 VanDerWaalsContact C-N 3.27Å; T737-E739 PolarHBondContact O-N 3.16Å; E739-L741 VanDerWaalsContact C-N 3.33Å; E739-E742 PolarHBondContact O-N 2.95Å; E739-R743 WeakPolarHBondContact O-CG 3.35Å; E739-R743 PolarHBondContact O-N 3.35Å; E739-R743 IonicContact OE1-CZ 2.82Å; E739-R743 IonicContact OE1-NE 3.75Å; E739-R743 IonicContact OE1-NH2 3.68Å; E739-R743 PolarHBondContact OE1-NH2 2.88Å
740	L	72.2	Confident	66.7	Low	31 Å²	31	86 Å²	86	16%	0.162	41%	0.414	C	S	.	.	H	α-helix	trans	-65.8	-38.6	177	-172.7	66.1	0	0	0	111.2	I664 T737 E738 R743 Y744	I664-L740 HydrophobicContact CD1-CD2 3.79Å; I664-L740 HydrophobicContact CD1-CG 4.31Å; T737-L740 PolarHBondContact O-N 2.84Å; T737-L740 VanDerWaalsContact O-N 3.16Å; T737-L740 PolarHBondContact OG1-N 3.09Å; E738-L740 VanDerWaalsContact C-N 3.33Å; E738-L740 PolarHBondContact O-N 3.35Å; L740-R743 PolarHBondContact O-N 3.09Å; L740-Y744 HydrophobicContact CD1-CD2 4.48Å; L740-Y744 HydrophobicContact CD1-CE2 3.95Å; L740-Y744 HydrophobicContact CG-CD2 4.34Å; L740-Y744 HydrophobicContact CG-CE2 4.13Å; L740-Y744 VanDerWaalsContact O-CD2 3.23Å; L740-Y744 WeakPolarHBondContact O-CD2 3.39Å; L740-Y744 PolarHBondContact O-N 2.9Å
741	L	74.9	Confident	64.5	Low	17 Å²	17	91.4 Å²	91.4	9%	0.089	44%	0.443	C	S	.	.	H	α-helix	trans	-69.7	-36.7	178.5	-69.2	169.4	0	0	0	112.8	M660 R663 I664 V736 T737 E738 E739 R743 Y744 S745	M660-L741 HydrophobicContact CB-CD1 4Å; M660-L741 HydrophobicContact CB-CD2 4.16Å; M660-L741 HydrophobicContact CE-CD1 3.4Å; M660-L741 HydrophobicContact CG-CD1 3.69Å; M660-L741 WeakPolarHBondContact O-CD2 3.49Å; M660-L741 HydrophobicContact SD-CD1 4.35Å; R663-L741 HydrophobicContact CB-CD2 4.21Å; I664-L741 HydrophobicContact CD1-CD2 4.09Å; I664-L741 HydrophobicContact CG1-CD2 4.18Å; V736-L741 HydrophobicContact CG1-CD1 4.15Å; V736-L741 HydrophobicContact CG1-CD2 4.19Å; V736-L741 HydrophobicContact CG1-CG 4.12Å; T737-L741 WeakPolarHBondContact O-CG 3.06Å; T737-L741 PolarHBondContact O-N 3.36Å; T737-L741 VanDerWaalsContact O-N 3.07Å; E738-L741 WeakPolarHBondContact O-CB 3.44Å; E738-L741 PolarHBondContact O-N 2.99Å; E738-L741 VanDerWaalsContact O-N 3.14Å; E739-L741 VanDerWaalsContact C-N 3.33Å; L741-R743 VanDerWaalsContact C-N 3.29Å; L741-R743 PolarHBondContact O-N 3.48Å; L741-Y744 CarbonylContact O-C 3.38Å; L741-Y744 PolarHBondContact O-N 3.24Å; L741-Y744 VanDerWaalsContact O-N 3.15Å; L741-S745 VanDerWaalsContact O-CB 3.25Å; L741-S745 WeakPolarHBondContact O-CB 3.26Å; L741-S745 PolarHBondContact O-N 2.95Å; L741-S745 PolarHBondContact O-OG 3.49Å
742	E	71.6	Confident	62.3	Low	134 Å²	134	93.5 Å²	93.5	63%	0.626	47%	0.466	S	S	*	.	H	α-helix	trans	-61.3	-38.8	174.7	-75.1	-179.9	175.6	0	0	111.6	E738 E739 Y744 S745 T746	E738-E742 WeakPolarHBondContact O-CG 3.41Å; E738-E742 PolarHBondContact O-N 2.91Å; E739-E742 PolarHBondContact O-N 2.95Å; E742-Y744 VanDerWaalsContact C-N 3.27Å; E742-Y744 PolarHBondContact O-N 3.31Å; E742-S745 PolarHBondContact O-N 3Å; E742-T746 PolarHBondContact O-OG1 3.41Å
743	R	65.9	Low	60.1	Low	149 Å²	149	100.4 Å²	100.4	56%	0.562	50%	0.502	S	S	*	.	H	α-helix	trans	-63.7	-29	174.4	-66.3	176.8	-167.3	-169.1	6	113.4	E739 L740 L741	E739-R743 WeakPolarHBondContact O-CG 3.35Å; E739-R743 PolarHBondContact O-N 3.35Å; E739-R743 IonicContact OE1-CZ 2.82Å; E739-R743 IonicContact OE1-NE 3.75Å; E739-R743 IonicContact OE1-NH2 3.68Å; E739-R743 PolarHBondContact OE1-NH2 2.88Å; L740-R743 PolarHBondContact O-N 3.09Å; L741-R743 VanDerWaalsContact C-N 3.29Å; L741-R743 PolarHBondContact O-N 3.48Å
744	Y	58.6	Low	58	Low	51 Å²	51	104.8 Å²	104.8	20%	0.2	52%	0.52	C	S	.	.	H	α-helix	trans	-94.3	-17.2	177.3	-75.9	-68.8	0	0	0	113.7	I487 I664 P665 L740 L741 E742 T746	I487-Y744 HydrophobicContact CD1-CE1 4.34Å; I487-Y744 HydrophobicContact CG2-CE1 4.47Å; I487-Y744 WeakPolarHBondContact CG2-OH 3.16Å; I664-Y744 HydrophobicContact CG1-CD2 3.94Å; I664-Y744 HydrophobicContact CG1-CE2 4.18Å; I664-Y744 HydrophobicContact CG2-CE2 4.07Å; P665-Y744 VanDerWaalsContact CD-CE1 3.43Å; P665-Y744 HydrophobicContact CG-CD1 4.24Å; P665-Y744 HydrophobicContact CG-CE1 3.81Å; L740-Y744 HydrophobicContact CD1-CD2 4.48Å; L740-Y744 HydrophobicContact CD1-CE2 3.95Å; L740-Y744 HydrophobicContact CG-CD2 4.34Å; L740-Y744 HydrophobicContact CG-CE2 4.13Å; L740-Y744 VanDerWaalsContact O-CD2 3.23Å; L740-Y744 WeakPolarHBondContact O-CD2 3.39Å; L740-Y744 PolarHBondContact O-N 2.9Å; L741-Y744 CarbonylContact O-C 3.38Å; L741-Y744 PolarHBondContact O-N 3.24Å; L741-Y744 VanDerWaalsContact O-N 3.15Å; E742-Y744 VanDerWaalsContact C-N 3.27Å; E742-Y744 PolarHBondContact O-N 3.31Å; Y744-T746 VanDerWaalsContact C-N 3.33Å
745	S	50	Low	55.6	Low	64 Å²	64	109.8 Å²	109.8	45%	0.448	55%	0.55	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.8	-3.6	-177.8	-60.2	0	0	0	0	112.9	L741 E742	L741-S745 VanDerWaalsContact O-CB 3.25Å; L741-S745 WeakPolarHBondContact O-CB 3.26Å; L741-S745 PolarHBondContact O-N 2.95Å; L741-S745 PolarHBondContact O-OG 3.49Å; E742-S745 PolarHBondContact O-N 3Å
746	T	41.5	Very low	53	Low	117 Å²	117	114.2 Å²	114.2	72%	0.718	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	-4.3	179.5	2.9	0	0	0	0	114.5	E742 Y744	E742-T746 PolarHBondContact O-OG1 3.41Å; Y744-T746 VanDerWaalsContact C-N 3.33Å
747	E	41.8	Very low	50.2	Low	173 Å²	173	123.9 Å²	123.9	81%	0.808	62%	0.618	S	S	*	*	S	Bend	trans	-130.1	81.2	175.4	-72.3	-172.2	170.7	0	0	112
748	K	36.7	Very low	47.7	Very low	198 Å²	198	129.9 Å²	129.9	86%	0.861	65%	0.646	S	S	*	*	S	Bend	trans	162.8	142	135.5	-88.8	167.7	-176.9	-178.1	0	112.2	I750	K748-I750 PolarHBondContact O-N 2.84Å
749	D	32.8	Very low	45.6	Very low	140 Å²	140	133.3 Å²	133.3	75%	0.749	65%	0.654	S	S	*	*			trans	-44.8	123.9	-178.7	-104.2	-44.4	0	0	0	114.6	N751	D749-N751 PolarHBondContact O-N 2.86Å; D749-N751 VanDerWaalsContact O-N 3.09Å
750	I	32.2	Very low	43.6	Very low	134 Å²	134	132.9 Å²	132.9	69%	0.687	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-70.4	-1.4	-178.9	-71.2	167.8	0	0	0	112.9	K748	K748-I750 PolarHBondContact O-N 2.84Å
751	N	34.6	Very low	41.6	Very low	141 Å²	141	138.9 Å²	138.9	75%	0.754	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-91.7	-1.8	-172.2	-73.2	-28.4	0	0	0	116	D749	D749-N751 PolarHBondContact O-N 2.86Å; D749-N751 VanDerWaalsContact O-N 3.09Å
752	S	38.8	Very low	39.3	Very low	110 Å²	110	143.8 Å²	143.8	77%	0.769	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-98	3	-179.4	93.9	0	0	0	0	115.5
753	L	37.4	Very low	37.4	Very low	147 Å²	147	142.5 Å²	142.5	77%	0.77	73%	0.726	S	S	*	*	S	Bend	trans	-101.2	-2.3	-172.9	-96.2	152.7	0	0	0	114.9
754	Y	36.7	Very low	35.9	Very low	205 Å²	205	142.4 Å²	142.4	80%	0.804	73%	0.732	S	S	*	*	S	Bend	trans	-107.5	17.6	-171.8	-76	-72.1	0	0	0	116.3
755	D	33.2	Very low	34.7	Very low	160 Å²	160	147.2 Å²	147.2	86%	0.856	76%	0.759	S	S	*	*			trans	-129.7	42.4	-176.7	-135.3	2.9	0	0	0	115.3
756	V	32.9	Very low	33.6	Very low	141 Å²	141	149.6 Å²	149.6	86%	0.855	77%	0.771	S	S	*	*	S	Bend	trans	-127.1	115.7	167.1	-173.2	0	0	0	0	110.1	M758	V756-M758 PolarHBondContact O-N 3.46Å
757	K	27.7	Very low	33	Very low	204 Å²	204	149.6 Å²	149.6	89%	0.887	77%	0.773	S	S	*	*			trans	-56	127	-177	-75.2	176	174.7	175.3	0	112.4
758	M	31.2	Very low	32.3	Very low	155 Å²	155	147.9 Å²	147.9	76%	0.764	78%	0.775	S	S	*	*	S	Bend	trans	-69.6	133.7	164.8	-72.6	168.1	62.7	0	0	110	V756	V756-M758 PolarHBondContact O-N 3.46Å
759	Y	32.3	Very low	32	Very low	213 Å²	213	144 Å²	144	84%	0.835	77%	0.767	S	S	*	*			trans	91.3	110.2	176.5	-57.2	-77.7	0	0	0	117.6
760	V	32.1	Very low	32.4	Very low	107 Å²	107	143.5 Å²	143.5	65%	0.648	77%	0.772	S	S	*	*			trans	-133.3	134.8	158	-175.9	0	0	0	0	107.6	E764	V760-E764 HydrophobicContact CG1-CB 3.78Å; V760-E764 HydrophobicContact CG1-CG 4.28Å; V760-E764 VanDerWaalsContact CG1-OE2 3.25Å; V760-E764 WeakPolarHBondContact CG1-OE2 3.35Å
761	E	30.5	Very low	33.3	Very low	156 Å²	156	144.4 Å²	144.4	73%	0.729	77%	0.773	S	S	*	*			trans	-71.8	158.3	-177.7	-75.7	-146.3	169.3	0	0	113.4	S763 E764	E761-S763 PolarHBondContact O-N 3.03Å; E761-E764 PolarHBondContact O-N 3.04Å
762	P	27.5	Very low	34.6	Very low	120 Å²	120	143.9 Å²	143.9	78%	0.779	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.7	2	-166.8	-24.3	35.1	0	0	0	118
763	S	30.9	Very low	36.2	Very low	108 Å²	108	140.9 Å²	140.9	76%	0.755	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100	1.4	-178.4	39.1	0	0	0	0	115.2	E761	E761-S763 PolarHBondContact O-N 3.03Å
764	E	33.4	Very low	38.2	Very low	147 Å²	147	133.9 Å²	133.9	69%	0.687	70%	0.701	S	S	*	*			trans	-113	34.8	177.6	-65.8	-172.3	168.9	0	0	113.9	V760 E761 T766	V760-E764 HydrophobicContact CG1-CB 3.78Å; V760-E764 HydrophobicContact CG1-CG 4.28Å; V760-E764 VanDerWaalsContact CG1-OE2 3.25Å; V760-E764 WeakPolarHBondContact CG1-OE2 3.35Å; E761-E764 PolarHBondContact O-N 3.04Å; E764-T766 PolarHBondContact O-N 3.13Å; E764-T766 VanDerWaalsContact O-N 3.12Å
765	I	34	Very low	40.4	Very low	152 Å²	152	128 Å²	128	78%	0.779	68%	0.679	S	S	*	*			trans	-82.7	87.9	169.9	-54	175	0	0	0	108.9
766	T	27.5	Very low	42.8	Very low	114 Å²	114	120.4 Å²	120.4	70%	0.699	64%	0.639	S	S	*	*			trans	-124.8	134.4	150	31.4	0	0	0	0	108.6	E764 T768	E764-T766 PolarHBondContact O-N 3.13Å; E764-T766 VanDerWaalsContact O-N 3.12Å; T766-T768 PolarHBondContact O-N 2.99Å
767	P	28.4	Very low	44.7	Very low	117 Å²	117	116.3 Å²	116.3	76%	0.76	61%	0.612	S	S	*	*			trans	-70.3	124.4	-173.1	28.2	-32.1	0	0	0	109.9
768	T	27.2	Very low	47	Very low	137 Å²	137	113 Å²	113	84%	0.84	60%	0.595	S	S	*	*			trans	-109.3	104.2	167.8	33.7	0	0	0	0	110.5	T766	T766-T768 PolarHBondContact O-N 2.99Å
769	V	30.5	Very low	49.3	Very low	115 Å²	115	111 Å²	111	70%	0.697	59%	0.587	S	S	*	*			trans	-96.7	154.4	163.7	-177.4	0	0	0	0	106.2	Q771	V769-Q771 WeakPolarHBondContact O-CB 3.42Å; V769-Q771 PolarHBondContact O-N 3.03Å
770	P	41.6	Very low	51.8	Low	131 Å²	131	102 Å²	102	85%	0.851	55%	0.552	S	S	*	*			trans	-70.3	105.4	-168.1	16.2	-13.7	0	0	0	111.8
771	Q	50	Low	54.3	Low	152 Å²	152	107.1 Å²	107.1	71%	0.71	56%	0.56	S	S	*	*			trans	-116.1	39.3	-161.8	-149	-176.2	26.8	0	0	113.5	V769	V769-Q771 WeakPolarHBondContact O-CB 3.42Å; V769-Q771 PolarHBondContact O-N 3.03Å
772	R	61.8	Low	57	Low	131 Å²	131	101 Å²	101	49%	0.494	54%	0.536	S	S	.	.			trans	-138.1	63.9	-169.4	-58.8	-164	-175.1	178.5	-2.8	114.2	N798 V799	R772-N798 PolarHBondContact O-N 2.94Å; R772-V799 HydrophobicContact CB-CB 4.14Å; R772-V799 WeakPolarHBondContact CB-O 3.37Å; R772-V799 WeakPolarHBondContact CD-O 3.46Å; R772-V799 PolarHBondContact O-N 3.16Å
773	T	73.2	Confident	59.5	Low	47 Å²	47	103.9 Å²	103.9	29%	0.288	54%	0.536	S	S	.	.			trans	-111.7	133.7	162.2	-60.7	0	0	0	0	109.1	L795 I796 H797 M827	T773-L795 HydrophobicContact CG2-CB 4.15Å; T773-I796 VanDerWaalsContact CA-O 3.31Å; T773-I796 WeakPolarHBondContact CA-O 3.41Å; T773-H797 VanDerWaalsContact CG2-ND1 3.29Å; T773-H797 WeakPolarHBondContact CG2-ND1 3.05Å; T773-H797 PolarHBondContact OG1-ND1 3.2Å; T773-M827 PolarHBondContact O-N 2.98Å
774	V	80.6	Confident	62.1	Low	0 Å²	0	106.1 Å²	106.1	0%	0	53%	0.528	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	149.7	179.2	-55.6	0	0	0	0	110.2	L795 I796 V799 W807 F819 V824 E825 D826	V774-L795 WeakPolarHBondContact O-CA 3.36Å; V774-I796 HydrophobicContact CG2-CB 3.91Å; V774-I796 HydrophobicContact CG2-CD1 4.47Å; V774-I796 PolarHBondContact N-O 3.26Å; V774-I796 PolarHBondContact O-N 2.65Å; V774-V799 HydrophobicContact CB-CG2 4.39Å; V774-V799 HydrophobicContact CG1-CB 4.33Å; V774-V799 HydrophobicContact CG1-CG1 4.24Å; V774-V799 HydrophobicContact CG1-CG2 4Å; V774-V799 HydrophobicContact CG2-CG2 3.71Å; V774-W807 HydrophobicContact CG1-CE3 4.4Å; V774-W807 HydrophobicContact CG1-CZ3 4.07Å; V774-F819 HydrophobicContact CG2-CE2 3.96Å; V774-F819 HydrophobicContact CG2-CZ 3.86Å; V774-V824 HydrophobicContact CB-CB 3.94Å; V774-V824 HydrophobicContact CB-CG2 3.98Å; V774-V824 HydrophobicContact CG1-CG2 4.47Å; V774-V824 HydrophobicContact CG2-CB 3.68Å; V774-V824 HydrophobicContact CG2-CG1 3.85Å; V774-V824 HydrophobicContact CG2-CG2 3.75Å; V774-E825 CarbonylContact C-O 3.59Å; V774-E825 WeakPolarHBondContact CA-O 3.12Å; V774-E825 WeakPolarHBondContact CB-O 3.48Å; V774-D826 WeakPolarHBondContact CG1-OD1 3.35Å
775	K	81.6	Confident	64.2	Low	80 Å²	80	104.1 Å²	104.1	35%	0.348	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	130.7	179.4	-177.6	-179.3	178.4	-176.1	0	110.9	L777 A794 L795 V824 E825 M827	K775-L777 PolarHBondContact O-N 2.82Å; K775-A794 CarbonylContact C-O 3.58Å; K775-A794 WeakPolarHBondContact CA-O 3.47Å; K775-L795 HydrophobicContact CB-CD2 3.85Å; K775-L795 HydrophobicContact CD-CD2 4.49Å; K775-L795 HydrophobicContact CG-CD2 4.02Å; K775-V824 CarbonylContact O-C 3.56Å; K775-V824 WeakPolarHBondContact O-CA 3.34Å; K775-E825 HydrophobicContact CB-CG 4.06Å; K775-E825 PolarHBondContact N-O 2.59Å; K775-E825 PolarHBondContact O-N 2.99Å; K775-M827 HydrophobicContact CB-SD 4.24Å
776	A	84.3	Confident	66.7	Low	2 Å²	2	99.2 Å²	99.2	2%	0.017	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	124.4	177.8	0	0	0	0	0	112.2	F790 C791 G793 A794 Y823 V824	A776-F790 HydrophobicContact CB-CD2 3.37Å; A776-F790 HydrophobicContact CB-CE2 3.63Å; A776-F790 HydrophobicContact CB-CG 4.44Å; A776-C791 WeakPolarHBondContact CB-O 3.5Å; A776-G793 PolarHBondContact O-N 2.9Å; A776-A794 HydrophobicContact CB-CB 4.05Å; A776-A794 PolarHBondContact N-O 3.5Å; A776-Y823 CarbonylContact C-O 3.46Å; A776-Y823 WeakPolarHBondContact CA-O 3.46Å; A776-V824 HydrophobicContact CB-CG1 4.49Å
777	L	71.7	Confident	69.7	Low	54 Å²	54	94.3 Å²	94.3	28%	0.283	48%	0.475	S	S	.	.	S	Bend	trans	-84.1	-23.3	177	-66.4	177.6	0	0	0	112.7	K775 R792 Y823 E825	K775-L777 PolarHBondContact O-N 2.82Å; L777-R792 WeakPolarHBondContact O-CD 3.44Å; L777-R792 WeakPolarHBondContact O-CG 3.43Å; L777-R792 PolarHBondContact O-NE 2.9Å; L777-Y823 PolarHBondContact N-O 2.94Å; L777-E825 HydrophobicContact CD1-CB 4.25Å; L777-E825 HydrophobicContact CD2-CB 4.17Å; L777-E825 HydrophobicContact CD2-CG 3.98Å; L777-E825 WeakPolarHBondContact CD2-OE2 3.39Å; L777-E825 HydrophobicContact CG-CB 4.26Å; L777-E825 HydrophobicContact CG-CG 4.45Å
778	Y	76.3	Confident	72.4	Confident	134 Å²	134	88.8 Å²	88.8	53%	0.525	44%	0.439	S	S	.	.	S	Bend	trans	-143	158.4	-176.7	-49.2	-77.6	0	0	0	110.4	Y823	Y778-Y823 HydrophobicContact CD2-CD1 4.35Å; Y778-Y823 HydrophobicContact CD2-CG 4.43Å
779	D	79.3	Confident	75.2	Confident	114 Å²	114	85 Å²	85	61%	0.61	42%	0.418	S	S	*	.			trans	-66.3	136.6	170.2	-60.2	-27.5	0	0	0	109.9	C791 R792	D779-C791 WeakPolarHBondContact OD1-CA 3.48Å; D779-R792 PolarHBondContact OD1-N 2.89Å
780	Y	84.5	Confident	77.7	Confident	24 Å²	24	80 Å²	80	9%	0.094	39%	0.387	C	S	.	.	B	Isolated β-bridge	trans	-132.5	130.2	174.4	-174	-101.9	0	0	0	110.1	E787 L788 S789 F790 W806 P820 Y823	Y780-E787 PolarHBondContact OH-OE2 3.27Å; Y780-L788 WeakPolarHBondContact CD1-O 3.4Å; Y780-L788 WeakPolarHBondContact CE1-O 3.42Å; Y780-S789 CarbonylContact O-C 3.59Å; Y780-S789 VanDerWaalsContact O-CA 3.25Å; Y780-S789 WeakPolarHBondContact O-CA 3.37Å; Y780-F790 VanDerWaalsContact CB-CZ 3.43Å; Y780-F790 AromaticContact CD1-CE1 3.79Å; Y780-F790 HydrophobicContact CD1-CE1 3.79Å; Y780-F790 HydrophobicContact CD1-CZ 4.01Å; Y780-F790 HydrophobicContact CG-CE1 4.18Å; Y780-F790 HydrophobicContact CG-CE2 4.48Å; Y780-F790 AromaticContact CG-CZ 3.94Å; Y780-F790 HydrophobicContact CG-CZ 3.94Å; Y780-F790 PolarHBondContact N-O 2.86Å; Y780-F790 PolarHBondContact O-N 2.89Å; Y780-F790 VanDerWaalsContact O-O 3.08Å; Y780-W806 HydrophobicContact CE1-CZ3 4.37Å; Y780-W806 AromaticContact CZ-CH2 3.91Å; Y780-W806 WeakPolarHBondContact OH-CH2 3.19Å; Y780-P820 HydrophobicContact CD1-CG 4.42Å; Y780-P820 HydrophobicContact CD2-CG 3.67Å; Y780-P820 HydrophobicContact CE1-CG 4.19Å; Y780-P820 HydrophobicContact CE2-CG 3.38Å; Y780-P820 HydrophobicContact CG-CG 4.21Å; Y780-Y823 HydrophobicContact CD2-CD1 4.02Å; Y780-Y823 HydrophobicContact CD2-CE1 4.04Å; Y780-Y823 HydrophobicContact CG-CD1 4.44Å
781	R	85.9	Confident	79	Confident	214 Å²	214	76.9 Å²	76.9	81%	0.808	37%	0.367	S	S	*	.			trans	-114	122.6	177.4	-163.6	174.9	-172.3	179.2	2.7	109.3	K783	R781-K783 PolarHBondContact O-N 2.89Å
782	A	87.1	Confident	80	Confident	28 Å²	28	78.6 Å²	78.6	23%	0.231	37%	0.368	C	S	.	.			trans	-53.3	123.4	179.9	0	0	0	0	0	110.6	E787 S789	A782-E787 HydrophobicContact CB-CB 3.7Å; A782-E787 WeakPolarHBondContact CB-O 3.47Å; A782-S789 WeakPolarHBondContact CB-OG 3.5Å; A782-S789 PolarHBondContact N-OG 2.82Å
783	K	80.2	Confident	79.8	Confident	181 Å²	181	74.1 Å²	74.1	79%	0.787	36%	0.362	S	S	*	.	S	Bend	trans	-93	-18.3	174.9	-66	179.9	-178.2	173.8	0	111.6	R781 E787	R781-K783 PolarHBondContact O-N 2.89Å; K783-E787 PolarHBondContact N-OE2 2.61Å
784	R	84.8	Confident	79.7	Confident	154 Å²	154	72.2 Å²	72.2	58%	0.581	35%	0.351	S	S	*	.	S	Bend	trans	-126.4	158.3	177.3	-60.9	169.9	47.1	155.3	-3	110.8	D786 E787	R784-D786 WeakPolarHBondContact CB-OD1 3.48Å; R784-D786 IonicContact CZ-OD1 3.69Å; R784-D786 IonicContact CZ-OD2 3.59Å; R784-D786 IonicContact NE-OD1 3Å; R784-D786 PolarHBondContact NE-OD1 2.82Å; R784-D786 IonicContact NE-OD2 3.68Å; R784-D786 IonicContact NH2-OD1 3.55Å; R784-D786 IonicContact NH2-OD2 2.82Å; R784-D786 PolarHBondContact NH2-OD2 2.98Å; R784-D786 PolarHBondContact O-N 2.87Å; R784-E787 HydrophobicContact CB-CG 4.09Å; R784-E787 WeakPolarHBondContact CD-OE1 3.44Å; R784-E787 WeakPolarHBondContact CG-OE1 3.36Å; R784-E787 PolarHBondContact O-N 2.82Å; R784-E787 VanDerWaalsContact O-N 3.17Å
785	S	78.3	Confident	79.4	Confident	106 Å²	106	75.7 Å²	75.7	74%	0.741	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-29.5	-177.6	50.8	0	0	0	0	113	E787 K814 H817	S785-E787 VanDerWaalsContact C-N 3.29Å; S785-E787 PolarHBondContact O-N 3.4Å; S785-K814 PolarHBondContact O-NZ 2.88Å; S785-H817 PolarHBondContact O-CD2 3.38Å; S785-H817 PolarHBondContact O-NE2 2.87Å
786	D	86.6	Confident	79.3	Confident	48 Å²	48	71.9 Å²	71.9	26%	0.257	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	6.4	178.3	59.3	-23.8	0	0	0	113.9	R784 H817 Y818	R784-D786 WeakPolarHBondContact CB-OD1 3.48Å; R784-D786 IonicContact CZ-OD1 3.69Å; R784-D786 IonicContact CZ-OD2 3.59Å; R784-D786 IonicContact NE-OD1 3Å; R784-D786 PolarHBondContact NE-OD1 2.82Å; R784-D786 IonicContact NE-OD2 3.68Å; R784-D786 IonicContact NH2-OD1 3.55Å; R784-D786 IonicContact NH2-OD2 2.82Å; R784-D786 PolarHBondContact NH2-OD2 2.98Å; R784-D786 PolarHBondContact O-N 2.87Å; D786-H817 VanDerWaalsContact C-CD2 3.4Å; D786-H817 CarbonylContact O-C 3.48Å; D786-H817 WeakPolarHBondContact O-CA 3.37Å; D786-H817 WeakPolarHBondContact O-CB 3.49Å; D786-H817 PolarHBondContact O-CD2 3.19Å; D786-Y818 PolarHBondContact O-N 3.41Å
787	E	89.1	Confident	78.9	Confident	12 Å²	12	75.9 Å²	75.9	6%	0.056	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-103.8	152.3	176.8	-67.8	172.1	-157.7	0	0	113.2	Y780 A782 K783 R784 S785 W806 K814 Y818	Y780-E787 PolarHBondContact OH-OE2 3.27Å; A782-E787 HydrophobicContact CB-CB 3.7Å; A782-E787 WeakPolarHBondContact CB-O 3.47Å; K783-E787 PolarHBondContact N-OE2 2.61Å; R784-E787 HydrophobicContact CB-CG 4.09Å; R784-E787 WeakPolarHBondContact CD-OE1 3.44Å; R784-E787 WeakPolarHBondContact CG-OE1 3.36Å; R784-E787 PolarHBondContact O-N 2.82Å; R784-E787 VanDerWaalsContact O-N 3.17Å; S785-E787 VanDerWaalsContact C-N 3.29Å; S785-E787 PolarHBondContact O-N 3.4Å; E787-W806 HydrophobicContact CG-CZ3 3.93Å; E787-K814 PolarHBondContact O-NZ 3.1Å; E787-Y818 CarbonylContact C-O 3.58Å; E787-Y818 WeakPolarHBondContact CA-O 3.36Å; E787-Y818 WeakPolarHBondContact CB-O 3.32Å
788	L	86.4	Confident	79	Confident	1 Å²	1	78.1 Å²	78.1	1%	0.005	38%	0.383	C	S	.	.			trans	-80.8	146.4	170	-68.2	174	0	0	0	111.2	Y780 F790 I796 G809 K814 H817 Y818 F819	Y780-L788 WeakPolarHBondContact CD1-O 3.4Å; Y780-L788 WeakPolarHBondContact CE1-O 3.42Å; L788-F790 HydrophobicContact CB-CD1 3.81Å; L788-F790 HydrophobicContact CB-CE1 4.06Å; L788-I796 HydrophobicContact CD1-CD1 4.43Å; L788-I796 HydrophobicContact CD1-CG2 3.83Å; L788-G809 WeakPolarHBondContact CD1-O 3.3Å; L788-K814 HydrophobicContact CD2-CB 3.51Å; L788-K814 HydrophobicContact CD2-CD 4.15Å; L788-K814 HydrophobicContact CD2-CG 4.48Å; L788-H817 HydrophobicContact CD2-CB 3.65Å; L788-H817 HydrophobicContact CG-CB 3.65Å; L788-Y818 PolarHBondContact N-O 3.41Å; L788-F819 HydrophobicContact CB-CB 4.42Å; L788-F819 HydrophobicContact CD1-CD1 3.62Å; L788-F819 HydrophobicContact CD1-CE1 4.23Å; L788-F819 HydrophobicContact CD1-CG 4.41Å
789	S	85.3	Confident	79.2	Confident	56 Å²	56	71.8 Å²	71.8	39%	0.392	36%	0.359	S	S	.	.			trans	-112.4	129.3	162.6	-59.3	0	0	0	0	108.3	Y780 A782 Y811	Y780-S789 CarbonylContact O-C 3.59Å; Y780-S789 VanDerWaalsContact O-CA 3.25Å; Y780-S789 WeakPolarHBondContact O-CA 3.37Å; A782-S789 WeakPolarHBondContact CB-OG 3.5Å; A782-S789 PolarHBondContact N-OG 2.82Å; S789-Y811 VanDerWaalsContact O-CD1 3.3Å; S789-Y811 WeakPolarHBondContact O-CD1 3.21Å; S789-Y811 VanDerWaalsContact O-CE1 3.25Å; S789-Y811 WeakPolarHBondContact O-CE1 3.33Å
790	F	82.7	Confident	79.3	Confident	10 Å²	10	69 Å²	69	4%	0.044	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-148.7	153.1	-178	49.7	-93.1	0	0	0	111	A776 Y780 L788 A794 I796 Y811 F819 V824	A776-F790 HydrophobicContact CB-CD2 3.37Å; A776-F790 HydrophobicContact CB-CE2 3.63Å; A776-F790 HydrophobicContact CB-CG 4.44Å; Y780-F790 VanDerWaalsContact CB-CZ 3.43Å; Y780-F790 AromaticContact CD1-CE1 3.79Å; Y780-F790 HydrophobicContact CD1-CE1 3.79Å; Y780-F790 HydrophobicContact CD1-CZ 4.01Å; Y780-F790 HydrophobicContact CG-CE1 4.18Å; Y780-F790 HydrophobicContact CG-CE2 4.48Å; Y780-F790 AromaticContact CG-CZ 3.94Å; Y780-F790 HydrophobicContact CG-CZ 3.94Å; Y780-F790 PolarHBondContact N-O 2.86Å; Y780-F790 PolarHBondContact O-N 2.89Å; Y780-F790 VanDerWaalsContact O-O 3.08Å; L788-F790 HydrophobicContact CB-CD1 3.81Å; L788-F790 HydrophobicContact CB-CE1 4.06Å; F790-A794 HydrophobicContact CB-CB 3.75Å; F790-I796 HydrophobicContact CD1-CD1 3.75Å; F790-I796 HydrophobicContact CD2-CD1 4.29Å; F790-I796 HydrophobicContact CE1-CD1 3.75Å; F790-I796 HydrophobicContact CE2-CD1 4.24Å; F790-I796 HydrophobicContact CG-CD1 4.03Å; F790-I796 HydrophobicContact CZ-CD1 3.97Å; F790-Y811 HydrophobicContact CB-CD1 3.7Å; F790-Y811 HydrophobicContact CB-CE1 3.47Å; F790-Y811 VanDerWaalsContact CB-CE1 3.47Å; F790-Y811 HydrophobicContact CB-CG 4.31Å; F790-F819 HydrophobicContact CE1-CB 3.42Å; F790-F819 VanDerWaalsContact CE1-CB 3.42Å; F790-F819 HydrophobicContact CE1-CD2 4.47Å; F790-F819 HydrophobicContact CE1-CG 4.09Å; F790-F819 HydrophobicContact CZ-CB 3.85Å; F790-F819 HydrophobicContact CZ-CD2 4.31Å; F790-F819 HydrophobicContact CZ-CG 4.37Å; F790-V824 HydrophobicContact CE2-CG1 4.43Å; F790-V824 HydrophobicContact CZ-CG1 4.48Å
791	C	68.6	Low	79.2	Confident	66 Å²	66	71.9 Å²	71.9	45%	0.446	36%	0.359	S	S	.	.			trans	-92.7	158.8	174.6	45.1	0	0	0	0	111	A776 D779 G793 A794	A776-C791 WeakPolarHBondContact CB-O 3.5Å; D779-C791 WeakPolarHBondContact OD1-CA 3.48Å; C791-G793 PolarHBondContact O-N 2.94Å; C791-A794 WeakPolarHBondContact O-CB 3.34Å; C791-A794 PolarHBondContact O-N 2.88Å
792	R	71.2	Confident	78.8	Confident	189 Å²	189	65.1 Å²	65.1	71%	0.713	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	127.9	171.3	176.8	171.6	-172.1	-154.7	-1.5	109.4	L777 D779	L777-R792 WeakPolarHBondContact O-CD 3.44Å; L777-R792 WeakPolarHBondContact O-CG 3.43Å; L777-R792 PolarHBondContact O-NE 2.9Å; D779-R792 PolarHBondContact OD1-N 2.89Å
793	G	57.4	Low	77.6	Confident	36 Å²	36	71.5 Å²	71.5	37%	0.371	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.4	-9.3	-175.3	0	0	0	0	0	114.6	A776 C791	A776-G793 PolarHBondContact O-N 2.9Å; C791-G793 PolarHBondContact O-N 2.94Å
794	A	71.4	Confident	77	Confident	8 Å²	8	65.9 Å²	65.9	7%	0.066	37%	0.366	C	S	.	.			trans	-61	136.4	176.2	0	0	0	0	0	112.5	K775 A776 F790 C791 Y811	K775-A794 CarbonylContact C-O 3.58Å; K775-A794 WeakPolarHBondContact CA-O 3.47Å; A776-A794 HydrophobicContact CB-CB 4.05Å; A776-A794 PolarHBondContact N-O 3.5Å; F790-A794 HydrophobicContact CB-CB 3.75Å; C791-A794 WeakPolarHBondContact O-CB 3.34Å; C791-A794 PolarHBondContact O-N 2.88Å; A794-Y811 HydrophobicContact CB-CD2 4.18Å; A794-Y811 HydrophobicContact CB-CE1 4.47Å; A794-Y811 HydrophobicContact CB-CE2 3.41Å; A794-Y811 VanDerWaalsContact CB-CE2 3.41Å
795	L	75.6	Confident	76.6	Confident	72 Å²	72	60.1 Å²	60.1	38%	0.377	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	122.6	173.7	-61.1	177.5	0	0	0	109.4	T773 V774 K775 Y811	T773-L795 HydrophobicContact CG2-CB 4.15Å; V774-L795 WeakPolarHBondContact O-CA 3.36Å; K775-L795 HydrophobicContact CB-CD2 3.85Å; K775-L795 HydrophobicContact CD-CD2 4.49Å; K775-L795 HydrophobicContact CG-CD2 4.02Å; L795-Y811 WeakPolarHBondContact O-CD2 3.24Å
796	I	77.7	Confident	77	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	121.1	179.2	-51.7	174	0	0	0	107.5	T773 V774 L788 F790 V799 Y811 F819 V824	T773-I796 VanDerWaalsContact CA-O 3.31Å; T773-I796 WeakPolarHBondContact CA-O 3.41Å; V774-I796 HydrophobicContact CG2-CB 3.91Å; V774-I796 HydrophobicContact CG2-CD1 4.47Å; V774-I796 PolarHBondContact N-O 3.26Å; V774-I796 PolarHBondContact O-N 2.65Å; L788-I796 HydrophobicContact CD1-CD1 4.43Å; L788-I796 HydrophobicContact CD1-CG2 3.83Å; F790-I796 HydrophobicContact CD1-CD1 3.75Å; F790-I796 HydrophobicContact CD2-CD1 4.29Å; F790-I796 HydrophobicContact CE1-CD1 3.75Å; F790-I796 HydrophobicContact CE2-CD1 4.24Å; F790-I796 HydrophobicContact CG-CD1 4.03Å; F790-I796 HydrophobicContact CZ-CD1 3.97Å; I796-V799 HydrophobicContact CB-CG2 4.43Å; I796-V799 HydrophobicContact CG2-CG2 4.14Å; I796-V799 VanDerWaalsContact O-CG2 3.29Å; I796-V799 WeakPolarHBondContact O-CG2 3.19Å; I796-Y811 HydrophobicContact CG1-CD2 4.49Å; I796-F819 HydrophobicContact CB-CE1 4.44Å; I796-F819 HydrophobicContact CB-CZ 4.38Å; I796-F819 HydrophobicContact CD1-CD1 4.15Å; I796-F819 HydrophobicContact CD1-CD2 3.97Å; I796-F819 HydrophobicContact CD1-CE1 4.15Å; I796-F819 HydrophobicContact CD1-CE2 4Å; I796-F819 HydrophobicContact CD1-CG 4.04Å; I796-F819 HydrophobicContact CD1-CZ 4.07Å; I796-F819 HydrophobicContact CG2-CD1 4.2Å; I796-F819 HydrophobicContact CG2-CE1 3.55Å; I796-F819 HydrophobicContact CG2-CZ 3.92Å; I796-V824 HydrophobicContact CD1-CG1 4.01Å
797	H	76.1	Confident	77.2	Confident	86 Å²	86	59.1 Å²	59.1	40%	0.398	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	167.4	-172	-59	-69	0	0	0	111.8	T773 V799 G809 D810	T773-H797 VanDerWaalsContact CG2-ND1 3.29Å; T773-H797 WeakPolarHBondContact CG2-ND1 3.05Å; T773-H797 PolarHBondContact OG1-ND1 3.2Å; H797-V799 VanDerWaalsContact C-N 3.28Å; H797-V799 PolarHBondContact O-N 2.94Å; H797-G809 CarbonylContact O-C 3.5Å; H797-G809 WeakPolarHBondContact O-CA 3.43Å; H797-D810 PolarHBondContact N-O 3.13Å; H797-D810 PolarHBondContact O-N 2.95Å
798	N	74.1	Confident	77	Confident	102 Å²	102	60.9 Å²	60.9	55%	0.545	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	50.6	43.7	177.3	-60.5	-30.3	0	0	0	113.8	R772 T800 D810 Q816	R772-N798 PolarHBondContact O-N 2.94Å; N798-T800 PolarHBondContact O-N 3.24Å; N798-D810 WeakPolarHBondContact CB-OD2 3.49Å; N798-D810 PolarHBondContact ND2-OD2 2.76Å; N798-Q816 PolarHBondContact O-NE2 2.88Å
799	V	80.8	Confident	76.9	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.006	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	124.4	-169.7	176.9	0	0	0	0	111.9	R772 V774 I796 H797 K801 W807 K808 F819	R772-V799 HydrophobicContact CB-CB 4.14Å; R772-V799 WeakPolarHBondContact CB-O 3.37Å; R772-V799 WeakPolarHBondContact CD-O 3.46Å; R772-V799 PolarHBondContact O-N 3.16Å; V774-V799 HydrophobicContact CB-CG2 4.39Å; V774-V799 HydrophobicContact CG1-CB 4.33Å; V774-V799 HydrophobicContact CG1-CG1 4.24Å; V774-V799 HydrophobicContact CG1-CG2 4Å; V774-V799 HydrophobicContact CG2-CG2 3.71Å; I796-V799 HydrophobicContact CB-CG2 4.43Å; I796-V799 HydrophobicContact CG2-CG2 4.14Å; I796-V799 VanDerWaalsContact O-CG2 3.29Å; I796-V799 WeakPolarHBondContact O-CG2 3.19Å; H797-V799 VanDerWaalsContact C-N 3.28Å; H797-V799 PolarHBondContact O-N 2.94Å; V799-K801 HydrophobicContact CG1-CG 4.32Å; V799-W807 HydrophobicContact CG1-CB 3.99Å; V799-W807 HydrophobicContact CG1-CD2 4.3Å; V799-W807 HydrophobicContact CG1-CE3 3.86Å; V799-W807 HydrophobicContact CG1-CG 4.41Å; V799-K808 CarbonylContact C-O 3.59Å; V799-K808 WeakPolarHBondContact CA-O 3.38Å; V799-F819 HydrophobicContact CG1-CE1 4.47Å; V799-F819 HydrophobicContact CG1-CZ 3.81Å; V799-F819 HydrophobicContact CG2-CE1 4.4Å; V799-F819 HydrophobicContact CG2-CZ 3.93Å
800	T	81	Confident	76.6	Confident	55 Å²	55	59.4 Å²	59.4	34%	0.337	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	111.1	171.6	-54.4	0	0	0	0	109.3	N798 E802 W807 K808 Q816	N798-T800 PolarHBondContact O-N 3.24Å; T800-E802 PolarHBondContact O-N 3.04Å; T800-W807 WeakPolarHBondContact O-CA 3.32Å; T800-K808 PolarHBondContact N-O 3.41Å; T800-K808 PolarHBondContact O-N 2.88Å; T800-Q816 PolarHBondContact OG1-OE1 2.95Å; T800-Q816 VanDerWaalsContact OG1-OE1 3.11Å
801	K	82.3	Confident	76.2	Confident	85 Å²	85	62.4 Å²	62.4	37%	0.37	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	113.4	-179.7	-60.2	-172.8	177.2	175.6	0	110.6	V799 W807 D826	V799-K801 HydrophobicContact CG1-CG 4.32Å; K801-W807 HydrophobicContact CB-CD2 4.26Å; K801-W807 HydrophobicContact CB-CG 4.32Å; K801-W807 HydrophobicContact CB-CZ2 4.41Å; K801-W807 HydrophobicContact CD-CD2 4.4Å; K801-W807 HydrophobicContact CD-CH2 3.89Å; K801-W807 HydrophobicContact CD-CZ2 3.66Å; K801-W807 HydrophobicContact CD-CZ3 4.33Å; K801-W807 HydrophobicContact CG-CD2 3.75Å; K801-W807 HydrophobicContact CG-CE3 4.15Å; K801-W807 HydrophobicContact CG-CG 4.2Å; K801-W807 HydrophobicContact CG-CH2 4.3Å; K801-W807 HydrophobicContact CG-CZ2 3.91Å; K801-W807 HydrophobicContact CG-CZ3 4.4Å; K801-D826 VanDerWaalsContact CE-OD1 3.24Å; K801-D826 WeakPolarHBondContact CE-OD1 3.37Å; K801-D826 IonicContact NZ-OD1 2.74Å; K801-D826 PolarHBondContact NZ-OD1 3.25Å; K801-D826 IonicContact NZ-OD2 2.62Å; K801-D826 PolarHBondContact NZ-OD2 3.1Å
802	E	78.1	Confident	76.5	Confident	71 Å²	71	62.8 Å²	62.8	33%	0.332	35%	0.353	S	S	.	.			trans	-100.2	151.3	171.6	-56.8	-178.1	-176.3	0	0	110.2	T800 G804 W806 K808 Y818	T800-E802 PolarHBondContact O-N 3.04Å; E802-G804 PolarHBondContact O-N 2.86Å; E802-G804 VanDerWaalsContact O-N 3.08Å; E802-W806 WeakPolarHBondContact CB-O 3.26Å; E802-K808 VanDerWaalsContact OE1-CE 3.29Å; E802-K808 WeakPolarHBondContact OE1-CE 3.45Å; E802-K808 IonicContact OE1-NZ 2.91Å; E802-K808 PolarHBondContact OE1-NZ 3.26Å; E802-Y818 PolarHBondContact OE1-OH 2.99Å; E802-Y818 WeakPolarHBondContact OE2-CE1 3.42Å; E802-Y818 PolarHBondContact OE2-OH 3.27Å
803	T	62	Low	76.3	Confident	163 Å²	163	63.3 Å²	63.3	100%	1	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	6.9	-174	44.2	0	0	0	0	114.7
804	G	68.3	Low	76.9	Confident	62 Å²	62	65.1 Å²	65.1	64%	0.639	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	12.1	-174.7	0	0	0	0	0	116.4	E802 W806	E802-G804 PolarHBondContact O-N 2.86Å; E802-G804 VanDerWaalsContact O-N 3.08Å; G804-W806 PolarHBondContact O-N 2.87Å
805	G	76.6	Confident	77.2	Confident	34 Å²	34	69.2 Å²	69.2	35%	0.351	39%	0.385	S	S	.	.	S	Bend	trans	77	6.4	-177.8	0	0	0	0	0	114.9	S821	G805-S821 WeakPolarHBondContact CA-OG 3.46Å; G805-S821 PolarHBondContact O-N 3.45Å; G805-S821 PolarHBondContact O-OG 2.73Å; G805-S821 VanDerWaalsContact O-OG 3.12Å
806	W	86.4	Confident	77.7	Confident	94 Å²	94	69 Å²	69	36%	0.356	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	129.3	173.7	-71.2	81.3	0	0	0	108.9	Y780 E787 E802 G804 Y818 F819 P820	Y780-W806 HydrophobicContact CE1-CZ3 4.37Å; Y780-W806 AromaticContact CZ-CH2 3.91Å; Y780-W806 WeakPolarHBondContact OH-CH2 3.19Å; E787-W806 HydrophobicContact CG-CZ3 3.93Å; E802-W806 WeakPolarHBondContact CB-O 3.26Å; G804-W806 PolarHBondContact O-N 2.87Å; W806-Y818 HydrophobicContact CB-CD1 4.05Å; W806-F819 CarbonylContact C-O 3.59Å; W806-F819 VanDerWaalsContact CA-O 3.32Å; W806-F819 WeakPolarHBondContact CA-O 3.46Å; W806-P820 HydrophobicContact CE3-CG 4.2Å; W806-P820 HydrophobicContact CH2-CG 3.89Å; W806-P820 HydrophobicContact CZ2-CG 4.3Å; W806-P820 HydrophobicContact CZ3-CG 3.8Å
807	W	90.6	Very high	78.2	Confident	39 Å²	39	71.5 Å²	71.5	15%	0.148	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	159.7	178.2	-64.2	-10.3	0	0	0	109.4	V774 V799 T800 K801 Y818 F819 S821 V824	V774-W807 HydrophobicContact CG1-CE3 4.4Å; V774-W807 HydrophobicContact CG1-CZ3 4.07Å; V799-W807 HydrophobicContact CG1-CB 3.99Å; V799-W807 HydrophobicContact CG1-CD2 4.3Å; V799-W807 HydrophobicContact CG1-CE3 3.86Å; V799-W807 HydrophobicContact CG1-CG 4.41Å; T800-W807 WeakPolarHBondContact O-CA 3.32Å; K801-W807 HydrophobicContact CB-CD2 4.26Å; K801-W807 HydrophobicContact CB-CG 4.32Å; K801-W807 HydrophobicContact CB-CZ2 4.41Å; K801-W807 HydrophobicContact CD-CD2 4.4Å; K801-W807 HydrophobicContact CD-CH2 3.89Å; K801-W807 HydrophobicContact CD-CZ2 3.66Å; K801-W807 HydrophobicContact CD-CZ3 4.33Å; K801-W807 HydrophobicContact CG-CD2 3.75Å; K801-W807 HydrophobicContact CG-CE3 4.15Å; K801-W807 HydrophobicContact CG-CG 4.2Å; K801-W807 HydrophobicContact CG-CH2 4.3Å; K801-W807 HydrophobicContact CG-CZ2 3.91Å; K801-W807 HydrophobicContact CG-CZ3 4.4Å; W807-Y818 CarbonylContact O-C 3.53Å; W807-Y818 VanDerWaalsContact O-CA 3.31Å; W807-Y818 WeakPolarHBondContact O-CA 3.25Å; W807-F819 HydrophobicContact CB-CE1 4.19Å; W807-F819 HydrophobicContact CB-CE2 3.95Å; W807-F819 HydrophobicContact CB-CZ 3.79Å; W807-F819 HydrophobicContact CE3-CE2 4.18Å; W807-F819 HydrophobicContact CE3-CZ 4.44Å; W807-F819 PolarHBondContact N-O 3.02Å; W807-F819 WeakPolarHBondContact O-CD1 3.49Å; W807-F819 PolarHBondContact O-N 2.81Å; W807-S821 VanDerWaalsContact NE1-CB 3.35Å; W807-V824 HydrophobicContact CE3-CG2 3.84Å; W807-V824 HydrophobicContact CZ3-CG2 3.69Å
808	K	85.4	Confident	78.9	Confident	48 Å²	48	70.3 Å²	70.3	21%	0.209	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	151.1	171.4	-70.6	176.4	-177.8	151.4	0	110.1	V799 T800 E802 H817 Y818 F819	V799-K808 CarbonylContact C-O 3.59Å; V799-K808 WeakPolarHBondContact CA-O 3.38Å; T800-K808 PolarHBondContact N-O 3.41Å; T800-K808 PolarHBondContact O-N 2.88Å; E802-K808 VanDerWaalsContact OE1-CE 3.29Å; E802-K808 WeakPolarHBondContact OE1-CE 3.45Å; E802-K808 IonicContact OE1-NZ 2.91Å; E802-K808 PolarHBondContact OE1-NZ 3.26Å; K808-H817 VanDerWaalsContact CA-O 3.31Å; K808-H817 WeakPolarHBondContact CA-O 3.48Å; K808-Y818 HydrophobicContact CD-CE1 4.27Å; K808-Y818 WeakPolarHBondContact CE-OH 3.43Å; K808-Y818 HydrophobicContact CG-CD1 3.78Å; K808-Y818 HydrophobicContact CG-CE1 3.85Å; K808-Y818 HydrophobicContact CG-CG 4.16Å; K808-Y818 PolarHBondContact NZ-OH 2.9Å; K808-F819 VanDerWaalsContact C-CE1 3.44Å
809	G	83.3	Confident	79.7	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.4	-175.5	173	0	0	0	0	0	111.4	L788 H797 Q816 H817	L788-G809 WeakPolarHBondContact CD1-O 3.3Å; H797-G809 CarbonylContact O-C 3.5Å; H797-G809 WeakPolarHBondContact O-CA 3.43Å; G809-Q816 WeakPolarHBondContact O-CA 3.37Å; G809-Q816 PolarHBondContact O-N 3.11Å; G809-Q816 VanDerWaalsContact O-N 3.14Å; G809-H817 PolarHBondContact N-O 3.33Å; G809-H817 VanDerWaalsContact N-O 3.12Å; G809-H817 PolarHBondContact O-N 3.46Å; G809-H817 VanDerWaalsContact O-N 3.12Å
810	D	78.3	Confident	80.2	Confident	27 Å²	27	65.8 Å²	65.8	14%	0.144	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	124.7	-170.5	-54.9	-9.6	0	0	0	108.8	H797 N798 K814 V815 Q816	H797-D810 PolarHBondContact N-O 3.13Å; H797-D810 PolarHBondContact O-N 2.95Å; N798-D810 WeakPolarHBondContact CB-OD2 3.49Å; N798-D810 PolarHBondContact ND2-OD2 2.76Å; D810-K814 WeakPolarHBondContact CA-O 3.46Å; D810-V815 WeakPolarHBondContact OD1-CA 3.04Å; D810-V815 WeakPolarHBondContact OD1-CG1 3.38Å; D810-Q816 PolarHBondContact OD1-N 2.88Å; D810-Q816 PolarHBondContact OD1-NE2 3.45Å
811	Y	76.1	Confident	80.5	Confident	72 Å²	72	64.3 Å²	64.3	28%	0.282	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	123.5	176.9	-177.3	-103.5	0	0	0	111.1	S789 F790 A794 L795 I796 K814	S789-Y811 VanDerWaalsContact O-CD1 3.3Å; S789-Y811 WeakPolarHBondContact O-CD1 3.21Å; S789-Y811 VanDerWaalsContact O-CE1 3.25Å; S789-Y811 WeakPolarHBondContact O-CE1 3.33Å; F790-Y811 HydrophobicContact CB-CD1 3.7Å; F790-Y811 HydrophobicContact CB-CE1 3.47Å; F790-Y811 VanDerWaalsContact CB-CE1 3.47Å; F790-Y811 HydrophobicContact CB-CG 4.31Å; A794-Y811 HydrophobicContact CB-CD2 4.18Å; A794-Y811 HydrophobicContact CB-CE1 4.47Å; A794-Y811 HydrophobicContact CB-CE2 3.41Å; A794-Y811 VanDerWaalsContact CB-CE2 3.41Å; L795-Y811 WeakPolarHBondContact O-CD2 3.24Å; I796-Y811 HydrophobicContact CG1-CD2 4.49Å; Y811-K814 PolarHBondContact N-O 3.3Å; Y811-K814 PolarHBondContact O-N 3.12Å
812	G	73.7	Confident	80.8	Confident	74 Å²	74	65.6 Å²	65.6	76%	0.763	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	-139	-168.9	0	0	0	0	0	111.6	K814	G812-K814 VanDerWaalsContact C-N 3.25Å; G812-K814 PolarHBondContact O-N 3.21Å
813	E	66.6	Low	81.2	Confident	201 Å²	201	66.1 Å²	66.1	94%	0.939	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-2.3	176.3	-63	178.6	176.2	0	0	113.5
814	K	71.6	Confident	82.3	Confident	74 Å²	74	58.9 Å²	58.9	32%	0.322	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	117.9	-176.4	-69.7	-170.3	173.7	-153.1	0	111	S785 E787 L788 D810 Y811 G812 H817	S785-K814 PolarHBondContact O-NZ 2.88Å; E787-K814 PolarHBondContact O-NZ 3.1Å; L788-K814 HydrophobicContact CD2-CB 3.51Å; L788-K814 HydrophobicContact CD2-CD 4.15Å; L788-K814 HydrophobicContact CD2-CG 4.48Å; D810-K814 WeakPolarHBondContact CA-O 3.46Å; Y811-K814 PolarHBondContact N-O 3.3Å; Y811-K814 PolarHBondContact O-N 3.12Å; G812-K814 VanDerWaalsContact C-N 3.25Å; G812-K814 PolarHBondContact O-N 3.21Å; K814-H817 HydrophobicContact CB-CB 4.41Å
815	V	77.6	Confident	82.9	Confident	94 Å²	94	60.1 Å²	60.1	57%	0.57	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103	135	179.5	178.8	0	0	0	0	109.9	D810 H817	D810-V815 WeakPolarHBondContact OD1-CA 3.04Å; D810-V815 WeakPolarHBondContact OD1-CG1 3.38Å; V815-H817 VanDerWaalsContact C-N 3.29Å; V815-H817 PolarHBondContact O-N 3.11Å; V815-H817 PolarHBondContact O-ND1 3.21Å
816	Q	85.5	Confident	82.7	Confident	68 Å²	68	62.5 Å²	62.5	32%	0.318	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	51.2	38.5	178.1	-65.3	-60.7	-66.6	0	0	115.3	N798 T800 G809 D810	N798-Q816 PolarHBondContact O-NE2 2.88Å; T800-Q816 PolarHBondContact OG1-OE1 2.95Å; T800-Q816 VanDerWaalsContact OG1-OE1 3.11Å; G809-Q816 WeakPolarHBondContact O-CA 3.37Å; G809-Q816 PolarHBondContact O-N 3.11Å; G809-Q816 VanDerWaalsContact O-N 3.14Å; D810-Q816 PolarHBondContact OD1-N 2.88Å; D810-Q816 PolarHBondContact OD1-NE2 3.45Å
817	H	88.6	Confident	81.4	Confident	51 Å²	51	62 Å²	62	24%	0.236	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	153	174.8	-79.9	57.6	0	0	0	111.5	S785 D786 L788 K808 G809 K814 V815	S785-H817 PolarHBondContact O-CD2 3.38Å; S785-H817 PolarHBondContact O-NE2 2.87Å; D786-H817 VanDerWaalsContact C-CD2 3.4Å; D786-H817 CarbonylContact O-C 3.48Å; D786-H817 WeakPolarHBondContact O-CA 3.37Å; D786-H817 WeakPolarHBondContact O-CB 3.49Å; D786-H817 PolarHBondContact O-CD2 3.19Å; L788-H817 HydrophobicContact CD2-CB 3.65Å; L788-H817 HydrophobicContact CG-CB 3.65Å; K808-H817 VanDerWaalsContact CA-O 3.31Å; K808-H817 WeakPolarHBondContact CA-O 3.48Å; G809-H817 PolarHBondContact N-O 3.33Å; G809-H817 VanDerWaalsContact N-O 3.12Å; G809-H817 PolarHBondContact O-N 3.46Å; G809-H817 VanDerWaalsContact O-N 3.12Å; K814-H817 HydrophobicContact CB-CB 4.41Å; V815-H817 VanDerWaalsContact C-N 3.29Å; V815-H817 PolarHBondContact O-N 3.11Å; V815-H817 PolarHBondContact O-ND1 3.21Å
818	Y	90.3	Very high	79.4	Confident	62 Å²	62	63.9 Å²	63.9	24%	0.243	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	143.7	-174.4	-78.2	-76	0	0	0	113.2	D786 E787 L788 E802 W806 W807 K808	D786-Y818 PolarHBondContact O-N 3.41Å; E787-Y818 CarbonylContact C-O 3.58Å; E787-Y818 WeakPolarHBondContact CA-O 3.36Å; E787-Y818 WeakPolarHBondContact CB-O 3.32Å; L788-Y818 PolarHBondContact N-O 3.41Å; E802-Y818 PolarHBondContact OE1-OH 2.99Å; E802-Y818 WeakPolarHBondContact OE2-CE1 3.42Å; E802-Y818 PolarHBondContact OE2-OH 3.27Å; W806-Y818 HydrophobicContact CB-CD1 4.05Å; W807-Y818 CarbonylContact O-C 3.53Å; W807-Y818 VanDerWaalsContact O-CA 3.31Å; W807-Y818 WeakPolarHBondContact O-CA 3.25Å; K808-Y818 HydrophobicContact CD-CE1 4.27Å; K808-Y818 WeakPolarHBondContact CE-OH 3.43Å; K808-Y818 HydrophobicContact CG-CD1 3.78Å; K808-Y818 HydrophobicContact CG-CE1 3.85Å; K808-Y818 HydrophobicContact CG-CG 4.16Å; K808-Y818 PolarHBondContact NZ-OH 2.9Å
819	F	91.5	Very high	77.4	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	155.3	169.2	62.7	-88.8	0	0	0	112	V774 L788 F790 I796 V799 W806 W807 K808 S821 V824	V774-F819 HydrophobicContact CG2-CE2 3.96Å; V774-F819 HydrophobicContact CG2-CZ 3.86Å; L788-F819 HydrophobicContact CB-CB 4.42Å; L788-F819 HydrophobicContact CD1-CD1 3.62Å; L788-F819 HydrophobicContact CD1-CE1 4.23Å; L788-F819 HydrophobicContact CD1-CG 4.41Å; F790-F819 HydrophobicContact CE1-CB 3.42Å; F790-F819 VanDerWaalsContact CE1-CB 3.42Å; F790-F819 HydrophobicContact CE1-CD2 4.47Å; F790-F819 HydrophobicContact CE1-CG 4.09Å; F790-F819 HydrophobicContact CZ-CB 3.85Å; F790-F819 HydrophobicContact CZ-CD2 4.31Å; F790-F819 HydrophobicContact CZ-CG 4.37Å; I796-F819 HydrophobicContact CB-CE1 4.44Å; I796-F819 HydrophobicContact CB-CZ 4.38Å; I796-F819 HydrophobicContact CD1-CD1 4.15Å; I796-F819 HydrophobicContact CD1-CD2 3.97Å; I796-F819 HydrophobicContact CD1-CE1 4.15Å; I796-F819 HydrophobicContact CD1-CE2 4Å; I796-F819 HydrophobicContact CD1-CG 4.04Å; I796-F819 HydrophobicContact CD1-CZ 4.07Å; I796-F819 HydrophobicContact CG2-CD1 4.2Å; I796-F819 HydrophobicContact CG2-CE1 3.55Å; I796-F819 HydrophobicContact CG2-CZ 3.92Å; V799-F819 HydrophobicContact CG1-CE1 4.47Å; V799-F819 HydrophobicContact CG1-CZ 3.81Å; V799-F819 HydrophobicContact CG2-CE1 4.4Å; V799-F819 HydrophobicContact CG2-CZ 3.93Å; W806-F819 CarbonylContact C-O 3.59Å; W806-F819 VanDerWaalsContact CA-O 3.32Å; W806-F819 WeakPolarHBondContact CA-O 3.46Å; W807-F819 HydrophobicContact CB-CE1 4.19Å; W807-F819 HydrophobicContact CB-CE2 3.95Å; W807-F819 HydrophobicContact CB-CZ 3.79Å; W807-F819 HydrophobicContact CE3-CE2 4.18Å; W807-F819 HydrophobicContact CE3-CZ 4.44Å; W807-F819 PolarHBondContact N-O 3.02Å; W807-F819 WeakPolarHBondContact O-CD1 3.49Å; W807-F819 PolarHBondContact O-N 2.81Å; K808-F819 VanDerWaalsContact C-CE1 3.44Å; F819-S821 PolarHBondContact O-N 2.81Å; F819-V824 HydrophobicContact CD2-CG1 3.9Å; F819-V824 HydrophobicContact CD2-CG2 4.42Å; F819-V824 HydrophobicContact CE2-CB 4.35Å; F819-V824 HydrophobicContact CE2-CG1 3.7Å; F819-V824 HydrophobicContact CE2-CG2 3.74Å
820	P	89.7	Confident	75.3	Confident	8 Å²	8	71.3 Å²	71.3	5%	0.052	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	126.6	-178.8	-13.6	27.4	0	0	0	110.9	Y780 W806 N822 Y823	Y780-P820 HydrophobicContact CD1-CG 4.42Å; Y780-P820 HydrophobicContact CD2-CG 3.67Å; Y780-P820 HydrophobicContact CE1-CG 4.19Å; Y780-P820 HydrophobicContact CE2-CG 3.38Å; Y780-P820 HydrophobicContact CG-CG 4.21Å; W806-P820 HydrophobicContact CE3-CG 4.2Å; W806-P820 HydrophobicContact CH2-CG 3.89Å; W806-P820 HydrophobicContact CZ2-CG 4.3Å; W806-P820 HydrophobicContact CZ3-CG 3.8Å; P820-N822 VanDerWaalsContact CB-OD1 3.24Å; P820-N822 WeakPolarHBondContact CB-OD1 3.46Å; P820-N822 PolarHBondContact O-N 2.65Å; P820-Y823 HydrophobicContact CB-CD2 3.86Å; P820-Y823 HydrophobicContact CB-CG 4.29Å; P820-Y823 HydrophobicContact CG-CD2 4.28Å; P820-Y823 HydrophobicContact CG-CG 4.43Å; P820-Y823 PolarHBondContact O-N 3.44Å; P820-Y823 VanDerWaalsContact O-N 3.14Å
821	S	89.1	Confident	73.4	Confident	24 Å²	24	71.7 Å²	71.7	17%	0.168	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-65.9	-25.8	-177.5	64.2	0	0	0	0	113.4	G805 W807 F819 Y823 V824	G805-S821 WeakPolarHBondContact CA-OG 3.46Å; G805-S821 PolarHBondContact O-N 3.45Å; G805-S821 PolarHBondContact O-OG 2.73Å; G805-S821 VanDerWaalsContact O-OG 3.12Å; W807-S821 VanDerWaalsContact NE1-CB 3.35Å; F819-S821 PolarHBondContact O-N 2.81Å; S821-Y823 PolarHBondContact O-N 3.05Å; S821-V824 VanDerWaalsContact O-CG2 3.26Å; S821-V824 WeakPolarHBondContact O-CG2 3.26Å
822	N	88.5	Confident	71.5	Confident	111 Å²	111	71.5 Å²	71.5	59%	0.594	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-79.4	-1.7	178.4	62.6	-29.5	0	0	0	113.7	P820	P820-N822 VanDerWaalsContact CB-OD1 3.24Å; P820-N822 WeakPolarHBondContact CB-OD1 3.46Å; P820-N822 PolarHBondContact O-N 2.65Å
823	Y	86.1	Confident	69.9	Low	82 Å²	82	70.7 Å²	70.7	32%	0.322	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-97.6	4.3	176.7	-85.1	-122.8	0	0	0	112.4	A776 L777 Y778 Y780 P820 S821	A776-Y823 CarbonylContact C-O 3.46Å; A776-Y823 WeakPolarHBondContact CA-O 3.46Å; L777-Y823 PolarHBondContact N-O 2.94Å; Y778-Y823 HydrophobicContact CD2-CD1 4.35Å; Y778-Y823 HydrophobicContact CD2-CG 4.43Å; Y780-Y823 HydrophobicContact CD2-CD1 4.02Å; Y780-Y823 HydrophobicContact CD2-CE1 4.04Å; Y780-Y823 HydrophobicContact CG-CD1 4.44Å; P820-Y823 HydrophobicContact CB-CD2 3.86Å; P820-Y823 HydrophobicContact CB-CG 4.29Å; P820-Y823 HydrophobicContact CG-CD2 4.28Å; P820-Y823 HydrophobicContact CG-CG 4.43Å; P820-Y823 PolarHBondContact O-N 3.44Å; P820-Y823 VanDerWaalsContact O-N 3.14Å; S821-Y823 PolarHBondContact O-N 3.05Å
824	V	83.9	Confident	68.4	Low	12 Å²	12	67.2 Å²	67.2	7%	0.073	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	157.4	-174.4	-59.1	0	0	0	0	112	V774 K775 A776 F790 I796 W807 F819 S821	V774-V824 HydrophobicContact CB-CB 3.94Å; V774-V824 HydrophobicContact CB-CG2 3.98Å; V774-V824 HydrophobicContact CG1-CG2 4.47Å; V774-V824 HydrophobicContact CG2-CB 3.68Å; V774-V824 HydrophobicContact CG2-CG1 3.85Å; V774-V824 HydrophobicContact CG2-CG2 3.75Å; K775-V824 CarbonylContact O-C 3.56Å; K775-V824 WeakPolarHBondContact O-CA 3.34Å; A776-V824 HydrophobicContact CB-CG1 4.49Å; F790-V824 HydrophobicContact CE2-CG1 4.43Å; F790-V824 HydrophobicContact CZ-CG1 4.48Å; I796-V824 HydrophobicContact CD1-CG1 4.01Å; W807-V824 HydrophobicContact CE3-CG2 3.84Å; W807-V824 HydrophobicContact CZ3-CG2 3.69Å; F819-V824 HydrophobicContact CD2-CG1 3.9Å; F819-V824 HydrophobicContact CD2-CG2 4.42Å; F819-V824 HydrophobicContact CE2-CB 4.35Å; F819-V824 HydrophobicContact CE2-CG1 3.7Å; F819-V824 HydrophobicContact CE2-CG2 3.74Å; S821-V824 VanDerWaalsContact O-CG2 3.26Å; S821-V824 WeakPolarHBondContact O-CG2 3.26Å
825	E	80.8	Confident	66.7	Low	87 Å²	87	68.6 Å²	68.6	41%	0.407	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	146.1	169.9	69.9	-177	-178.1	0	0	111.5	V774 K775 L777	V774-E825 CarbonylContact C-O 3.59Å; V774-E825 WeakPolarHBondContact CA-O 3.12Å; V774-E825 WeakPolarHBondContact CB-O 3.48Å; K775-E825 HydrophobicContact CB-CG 4.06Å; K775-E825 PolarHBondContact N-O 2.59Å; K775-E825 PolarHBondContact O-N 2.99Å; L777-E825 HydrophobicContact CD1-CB 4.25Å; L777-E825 HydrophobicContact CD2-CB 4.17Å; L777-E825 HydrophobicContact CD2-CG 3.98Å; L777-E825 WeakPolarHBondContact CD2-OE2 3.39Å; L777-E825 HydrophobicContact CG-CB 4.26Å; L777-E825 HydrophobicContact CG-CG 4.45Å
826	D	73.5	Confident	64.7	Low	85 Å²	85	70.5 Å²	70.5	46%	0.455	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	135.4	174.7	-75.8	-51.5	0	0	0	111.2	V774 K801	V774-D826 WeakPolarHBondContact CG1-OD1 3.35Å; K801-D826 VanDerWaalsContact CE-OD1 3.24Å; K801-D826 WeakPolarHBondContact CE-OD1 3.37Å; K801-D826 IonicContact NZ-OD1 2.74Å; K801-D826 PolarHBondContact NZ-OD1 3.25Å; K801-D826 IonicContact NZ-OD2 2.62Å; K801-D826 PolarHBondContact NZ-OD2 3.1Å
827	M	58.1	Low	62.6	Low	84 Å²	84	70.2 Å²	70.2	41%	0.414	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-83.9	119.6	172.1	-62.5	-77.9	-78.3	0	0	109.5	T773 K775	T773-M827 PolarHBondContact O-N 2.98Å; K775-M827 HydrophobicContact CB-SD 4.24Å
828	S	48.9	Very low	60	Low	78 Å²	78	73.2 Å²	73.2	55%	0.545	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-80.1	157.9	177.9	62.1	0	0	0	0	112.8	D830 S831	S828-D830 PolarHBondContact O-N 3.17Å; S828-D830 VanDerWaalsContact O-N 3.12Å; S828-S831 PolarHBondContact O-N 3.42Å; S828-S831 VanDerWaalsContact O-N 3.13Å; S828-S831 PolarHBondContact O-OG 3.28Å
829	S	44.2	Very low	57.7	Low	81 Å²	81	75.1 Å²	75.1	57%	0.566	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-10.2	-177.1	49.7	0	0	0	0	116	S831 S832	S829-S831 VanDerWaalsContact C-N 3.32Å; S829-S832 PolarHBondContact O-OG 2.84Å; S829-S832 VanDerWaalsContact O-OG 3.09Å
830	D	38.6	Very low	55.5	Low	122 Å²	122	79.4 Å²	79.4	65%	0.652	44%	0.436	S	S	*	.	H	α-helix	trans	-77.9	-22.5	174.7	-65.4	-29.9	0	0	0	111.9	S828	S828-D830 PolarHBondContact O-N 3.17Å; S828-D830 VanDerWaalsContact O-N 3.12Å
831	S	39.1	Very low	53.3	Low	35 Å²	35	84 Å²	84	25%	0.245	46%	0.456	C	S	.	.	H	α-helix	trans	-82.3	-14.8	-177.9	64.2	0	0	0	0	114.5	S828 S829 L835	S828-S831 PolarHBondContact O-N 3.42Å; S828-S831 VanDerWaalsContact O-N 3.13Å; S828-S831 PolarHBondContact O-OG 3.28Å; S829-S831 VanDerWaalsContact C-N 3.32Å; S831-L835 WeakPolarHBondContact O-CB 3.24Å; S831-L835 PolarHBondContact O-N 3.39Å
832	S	36.6	Very low	51.3	Low	69 Å²	69	89 Å²	89	48%	0.483	48%	0.481	S	S	.	.	H	α-helix	trans	-77.3	-34	175.2	49.3	0	0	0	0	112.6	S829 L835 E836	S829-S832 PolarHBondContact O-OG 2.84Å; S829-S832 VanDerWaalsContact O-OG 3.09Å; S832-L835 PolarHBondContact O-N 3.39Å; S832-E836 PolarHBondContact O-N 2.88Å
833	A	39.3	Very low	50	Low	56 Å²	56	84 Å²	84	46%	0.463	46%	0.455	S	S	.	.	H	α-helix	trans	-69.4	-36.2	172.8	0	0	0	0	0	111.2	S837	A833-S837 WeakPolarHBondContact O-CB 3.36Å; A833-S837 PolarHBondContact O-N 2.94Å; A833-S837 PolarHBondContact O-OG 2.93Å
834	E	35	Very low	48.6	Very low	129 Å²	129	81.2 Å²	81.2	60%	0.603	45%	0.447	S	S	*	.	H	α-helix	trans	-69	-34.5	172.9	-72	-177.7	156.6	0	0	112.5	S837 Q838	E834-S837 PolarHBondContact O-N 2.95Å; E834-Q838 WeakPolarHBondContact O-CB 3.18Å; E834-Q838 WeakPolarHBondContact O-CG 3.38Å; E834-Q838 PolarHBondContact O-N 2.77Å
835	L	34.8	Very low	47.3	Very low	102 Å²	102	80.8 Å²	80.8	53%	0.534	44%	0.444	S	S	.	.	H	α-helix	trans	-75.3	-39.9	177.5	-157.8	74.9	0	0	0	112.6	S831 S832 S837 Q838 I839	S831-L835 WeakPolarHBondContact O-CB 3.24Å; S831-L835 PolarHBondContact O-N 3.39Å; S832-L835 PolarHBondContact O-N 3.39Å; L835-S837 VanDerWaalsContact C-N 3.33Å; L835-Q838 PolarHBondContact O-N 3.15Å; L835-I839 HydrophobicContact CG-CD1 4.49Å; L835-I839 WeakPolarHBondContact O-CD1 3.29Å; L835-I839 WeakPolarHBondContact O-CG1 3.4Å; L835-I839 PolarHBondContact O-N 2.97Å
836	E	37.4	Very low	46.5	Very low	135 Å²	135	76.9 Å²	76.9	63%	0.631	43%	0.427	S	S	*	.	H	α-helix	trans	-63.8	-39.5	168.9	-81.4	-177.7	162.9	0	0	111.3	S832 I839 I840	S832-E836 PolarHBondContact O-N 2.88Å; E836-I839 PolarHBondContact O-N 3.35Å; E836-I840 WeakPolarHBondContact O-CB 3.46Å; E836-I840 WeakPolarHBondContact O-CD1 3.4Å; E836-I840 WeakPolarHBondContact O-CG1 3.28Å; E836-I840 PolarHBondContact O-N 2.91Å
837	S	39.6	Very low	45.7	Very low	62 Å²	62	76.7 Å²	76.7	43%	0.434	43%	0.433	S	S	.	.	H	α-helix	trans	-64.9	-38.8	174.8	-60.7	0	0	0	0	112.1	A833 E834 L835 I840 E841	A833-S837 WeakPolarHBondContact O-CB 3.36Å; A833-S837 PolarHBondContact O-N 2.94Å; A833-S837 PolarHBondContact O-OG 2.93Å; E834-S837 PolarHBondContact O-N 2.95Å; L835-S837 VanDerWaalsContact C-N 3.33Å; S837-I840 PolarHBondContact O-N 2.93Å; S837-E841 WeakPolarHBondContact O-CB 3.4Å; S837-E841 WeakPolarHBondContact O-CG 3.33Å; S837-E841 PolarHBondContact O-N 2.84Å
838	Q	36	Very low	45.7	Very low	114 Å²	114	76 Å²	76	53%	0.533	43%	0.43	S	S	.	.	H	α-helix	trans	-67.9	-38.3	174.1	-82.7	175.4	-4.2	0	0	112.7	E834 L835 I840 E841 D842	E834-Q838 WeakPolarHBondContact O-CB 3.18Å; E834-Q838 WeakPolarHBondContact O-CG 3.38Å; E834-Q838 PolarHBondContact O-N 2.77Å; L835-Q838 PolarHBondContact O-N 3.15Å; Q838-I840 VanDerWaalsContact C-N 3.28Å; Q838-I840 PolarHBondContact O-N 2.91Å; Q838-E841 PolarHBondContact O-N 2.97Å; Q838-D842 PolarHBondContact O-N 3.46Å
839	I	40.7	Very low	46.5	Very low	101 Å²	101	73.7 Å²	73.7	52%	0.518	41%	0.414	S	S	.	.	H	α-helix	trans	-66.8	-31.3	174.7	-67.6	164	0	0	0	111.3	L835 E836	L835-I839 HydrophobicContact CG-CD1 4.49Å; L835-I839 WeakPolarHBondContact O-CD1 3.29Å; L835-I839 WeakPolarHBondContact O-CG1 3.4Å; L835-I839 PolarHBondContact O-N 2.97Å; E836-I839 PolarHBondContact O-N 3.35Å
840	I	45.4	Very low	47.6	Very low	91 Å²	91	75.1 Å²	75.1	47%	0.467	41%	0.407	S	S	.	.	H	α-helix	trans	-79.2	-33.5	174.9	-67.3	164.7	0	0	0	111.9	E836 S837 Q838 N843	E836-I840 WeakPolarHBondContact O-CB 3.46Å; E836-I840 WeakPolarHBondContact O-CD1 3.4Å; E836-I840 WeakPolarHBondContact O-CG1 3.28Å; E836-I840 PolarHBondContact O-N 2.91Å; S837-I840 PolarHBondContact O-N 2.93Å; Q838-I840 VanDerWaalsContact C-N 3.28Å; Q838-I840 PolarHBondContact O-N 2.91Å; I840-N843 PolarHBondContact O-N 2.82Å
841	E	44.2	Very low	48.9	Very low	103 Å²	103	70.1 Å²	70.1	48%	0.481	38%	0.384	S	S	.	.	H	α-helix	trans	-70.8	-31.9	-178.1	-84.9	-169.9	145.1	0	0	114	S837 Q838 N843 K988	S837-E841 WeakPolarHBondContact O-CB 3.4Å; S837-E841 WeakPolarHBondContact O-CG 3.33Å; S837-E841 PolarHBondContact O-N 2.84Å; Q838-E841 PolarHBondContact O-N 2.97Å; E841-N843 VanDerWaalsContact C-N 3.33Å; E841-N843 PolarHBondContact O-N 3Å; E841-K988 IonicContact OE1-NZ 3.51Å
842	D	46.2	Very low	50.4	Low	129 Å²	129	71.6 Å²	71.6	69%	0.69	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	8.3	179.1	-75.8	-17.9	0	0	0	113.9	Q838	Q838-D842 PolarHBondContact O-N 3.46Å
843	N	60.6	Low	52.3	Low	8 Å²	8	69.1 Å²	69.1	4%	0.043	37%	0.37	C	S	.	.			trans	-98.8	126.1	-172.8	-166.4	-24	0	0	0	113.2	S504 I840 E841 L845 G846 C849	S504-N843 PolarHBondContact OG-OD1 3.28Å; S504-N843 VanDerWaalsContact OG-OD1 3.12Å; I840-N843 PolarHBondContact O-N 2.82Å; E841-N843 VanDerWaalsContact C-N 3.33Å; E841-N843 PolarHBondContact O-N 3Å; N843-L845 PolarHBondContact O-N 3.49Å; N843-L845 VanDerWaalsContact O-N 3.14Å; N843-L845 PolarHBondContact OD1-N 3.28Å; N843-G846 PolarHBondContact O-N 2.8Å; N843-G846 VanDerWaalsContact O-N 3.09Å; N843-C849 WeakPolarHBondContact ND2-CB 3.4Å; N843-C849 PolarHBondContact ND2-SG 2.9Å
844	P	58.1	Low	54.1	Low	23 Å²	23	69.5 Å²	69.5	15%	0.149	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-20.6	177.9	26.3	-36.8	0	0	0	114.2	A497	A497-P844 HydrophobicContact CB-CB 4.27Å; A497-P844 HydrophobicContact CB-CG 4.12Å
845	L	57.1	Low	56	Low	2 Å²	2	63.3 Å²	63.3	1%	0.01	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-0.2	178	-60.2	-178.5	0	0	0	113.7	L336 Y495 A497 N843 S847 L848 C849 V992	L336-L845 HydrophobicContact CD1-CD2 4.41Å; Y495-L845 HydrophobicContact CD1-CD2 3.63Å; Y495-L845 HydrophobicContact CE1-CD2 3.88Å; A497-L845 HydrophobicContact CB-CD2 3.96Å; A497-L845 HydrophobicContact CB-CG 4.3Å; N843-L845 PolarHBondContact O-N 3.49Å; N843-L845 VanDerWaalsContact O-N 3.14Å; N843-L845 PolarHBondContact OD1-N 3.28Å; L845-S847 PolarHBondContact O-N 3.18Å; L845-L848 WeakPolarHBondContact O-CB 3.49Å; L845-L848 PolarHBondContact O-N 2.73Å; L845-C849 HydrophobicContact CB-CB 3.92Å; L845-V992 WeakPolarHBondContact O-CG2 3.46Å
846	G	63.2	Low	57.9	Low	6 Å²	6	61.4 Å²	61.4	6%	0.062	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	48.6	-127.8	-179.6	0	0	0	0	0	113	N843 L848 C849	N843-G846 PolarHBondContact O-N 2.8Å; N843-G846 VanDerWaalsContact O-N 3.09Å; G846-L848 PolarHBondContact O-N 2.66Å; G846-C849 PolarHBondContact O-N 3.09Å
847	S	57.4	Low	59.7	Low	81 Å²	81	58 Å²	58	57%	0.566	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-69.3	-14	178.5	58.9	0	0	0	0	114.8	L845 C849	L845-S847 PolarHBondContact O-N 3.18Å; S847-C849 VanDerWaalsContact C-N 3.32Å
848	L	58.2	Low	61.6	Low	68 Å²	68	56.2 Å²	56.2	36%	0.356	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-84.2	-6.7	178.2	-64.9	178.2	0	0	0	113	L336 S506 L845 G846 R850 V992	L336-L848 HydrophobicContact CD1-CD1 4.18Å; S506-L848 WeakPolarHBondContact CA-O 3.46Å; L845-L848 WeakPolarHBondContact O-CB 3.49Å; L845-L848 PolarHBondContact O-N 2.73Å; G846-L848 PolarHBondContact O-N 2.66Å; L848-R850 PolarHBondContact O-N 3.35Å; L848-V992 HydrophobicContact CB-CG2 4.14Å; L848-V992 HydrophobicContact CD1-CB 4.06Å; L848-V992 HydrophobicContact CD1-CG2 3.41Å; L848-V992 VanDerWaalsContact CD1-CG2 3.41Å; L848-V992 HydrophobicContact CG-CG2 3.63Å
849	C	64.8	Low	63.6	Low	30 Å²	30	54.5 Å²	54.5	20%	0.203	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	126	-179.3	-170.7	0	0	0	0	111.8	N843 L845 G846 S847 G851	N843-C849 WeakPolarHBondContact ND2-CB 3.4Å; N843-C849 PolarHBondContact ND2-SG 2.9Å; L845-C849 HydrophobicContact CB-CB 3.92Å; G846-C849 PolarHBondContact O-N 3.09Å; S847-C849 VanDerWaalsContact C-N 3.32Å; C849-G851 PolarHBondContact SG-O 2.97Å; C849-G851 VanDerWaalsContact SG-O 3.36Å
850	R	67.3	Low	65.7	Low	111 Å²	111	50.5 Å²	50.5	42%	0.419	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-36.9	173	-173.7	-164.5	175.6	120.9	-12.3	112.3	F505 D507 R666 L848	F505-R850 HydrophobicContact CD2-CB 4.49Å; F505-R850 HydrophobicContact CE2-CB 4.43Å; F505-R850 PolarHBondContact O-N 2.84Å; D507-R850 VanDerWaalsContact OD1-CD 3.23Å; D507-R850 WeakPolarHBondContact OD1-CD 3.18Å; D507-R850 IonicContact OD1-CZ 3.63Å; D507-R850 IonicContact OD1-NE 2.76Å; D507-R850 IonicContact OD1-NH1 3.56Å; D507-R850 PolarHBondContact OD1-NH1 2.84Å; R666-R850 VanDerWaalsContact CZ-NH2 3.31Å; L848-R850 PolarHBondContact O-N 3.35Å
851	G	65.6	Low	67.6	Low	17 Å²	17	48.5 Å²	48.5	18%	0.175	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	158.8	-176.5	0	0	0	0	0	113.1	S504 F505 C849	S504-G851 CarbonylContact C-O 3.55Å; S504-G851 WeakPolarHBondContact CA-O 3.47Å; F505-G851 WeakPolarHBondContact CD1-O 3.29Å; F505-G851 PolarHBondContact N-O 3Å; F505-G851 PolarHBondContact O-N 2.89Å; C849-G851 PolarHBondContact SG-O 2.97Å; C849-G851 VanDerWaalsContact SG-O 3.36Å
852	I	71.4	Confident	69.5	Low	67 Å²	67	47.7 Å²	47.7	34%	0.344	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	129.2	-175.9	-54.7	177.9	0	0	0	108.8	K502 L503	K502-I852 HydrophobicContact CB-CG2 3.76Å; K502-I852 HydrophobicContact CD-CG2 4.05Å; K502-I852 HydrophobicContact CG-CG2 4.19Å; L503-I852 CarbonylContact O-C 3.6Å; L503-I852 WeakPolarHBondContact O-CA 3.39Å
853	L	76.2	Confident	71.3	Confident	16 Å²	16	44.2 Å²	44.2	8%	0.084	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	121.5	172.5	-57.5	178	0	0	0	109.1	K502 L503 F505 L855 Y858 L876 V886 F888	K502-L853 CarbonylContact C-O 3.47Å; K502-L853 WeakPolarHBondContact CA-O 3.39Å; L503-L853 HydrophobicContact CB-CB 4.42Å; L503-L853 HydrophobicContact CD2-CD1 4.38Å; L503-L853 PolarHBondContact N-O 2.88Å; L503-L853 PolarHBondContact O-N 2.76Å; F505-L853 HydrophobicContact CE1-CD2 4.49Å; F505-L853 HydrophobicContact CE1-CG 4.16Å; L853-L855 PolarHBondContact O-N 2.81Å; L853-Y858 HydrophobicContact CB-CE2 4.23Å; L853-Y858 HydrophobicContact CD2-CE2 4.4Å; L853-L876 HydrophobicContact CD1-CD1 3.97Å; L853-V886 HydrophobicContact CD1-CB 4.25Å; L853-V886 HydrophobicContact CD1-CG1 4.19Å; L853-V886 HydrophobicContact CD1-CG2 4.19Å; L853-V886 HydrophobicContact CD2-CG2 4.26Å; L853-F888 HydrophobicContact CD1-CE2 3.98Å; L853-F888 HydrophobicContact CD1-CZ 3.84Å
854	V	76.4	Confident	71.9	Confident	64 Å²	64	49.7 Å²	49.7	39%	0.388	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	103.9	176.1	-177.4	0	0	0	0	108.4	K502 N856 T857 Y858	K502-V854 HydrophobicContact CG-CG2 4.33Å; V854-N856 PolarHBondContact O-N 3.23Å; V854-T857 HydrophobicContact CB-CG2 4.26Å; V854-T857 HydrophobicContact CG1-CG2 4.23Å; V854-T857 PolarHBondContact O-N 2.75Å; V854-T857 PolarHBondContact O-OG1 3.16Å; V854-Y858 VanDerWaalsContact O-CD2 3.31Å; V854-Y858 WeakPolarHBondContact O-CD2 3.22Å
855	L	76.4	Confident	72.7	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-60.7	-28.7	-166.9	-65.8	174.6	0	0	0	113.3	I498 E501 L503 L853 T857 Y858 L876 I903 I906	I498-L855 HydrophobicContact CD1-CD1 3.88Å; I498-L855 HydrophobicContact CG1-CD1 4.24Å; I498-L855 HydrophobicContact CG2-CD1 3.72Å; E501-L855 WeakPolarHBondContact O-CB 3.29Å; E501-L855 PolarHBondContact O-N 3.25Å; L503-L855 HydrophobicContact CB-CD1 4.24Å; L503-L855 HydrophobicContact CB-CD2 3.72Å; L503-L855 HydrophobicContact CB-CG 4.04Å; L503-L855 HydrophobicContact CD1-CD2 4.2Å; L853-L855 PolarHBondContact O-N 2.81Å; L855-T857 PolarHBondContact O-N 3.04Å; L855-Y858 PolarHBondContact O-N 3.01Å; L855-Y858 VanDerWaalsContact O-N 3.09Å; L855-L876 HydrophobicContact CD2-CD1 3.98Å; L855-I903 HydrophobicContact CD1-CG1 4.26Å; L855-I903 HydrophobicContact CD1-CG2 4.43Å; L855-I903 HydrophobicContact CD2-CG1 4.43Å; L855-I903 HydrophobicContact CD2-CG2 4.01Å; L855-I906 HydrophobicContact CB-CG2 4.26Å; L855-I906 HydrophobicContact CD1-CD1 4.03Å; L855-I906 HydrophobicContact CD1-CG2 4.3Å
856	N	73.8	Confident	73.6	Confident	62 Å²	62	58.5 Å²	58.5	33%	0.332	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-64	-19.9	176.5	-71.6	-12.7	0	0	0	114.4	E501 V854 Y858 K879	E501-N856 PolarHBondContact OE2-ND2 3.4Å; V854-N856 PolarHBondContact O-N 3.23Å; N856-Y858 VanDerWaalsContact C-N 3.34Å; N856-K879 WeakPolarHBondContact O-CE 3.3Å; N856-K879 PolarHBondContact O-NZ 2.79Å
857	T	76.1	Confident	74.6	Confident	64 Å²	64	61.4 Å²	61.4	39%	0.393	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-88.4	-1.6	176.6	65.3	0	0	0	0	113	V854 L855 K879	V854-T857 HydrophobicContact CB-CG2 4.26Å; V854-T857 HydrophobicContact CG1-CG2 4.23Å; V854-T857 PolarHBondContact O-N 2.75Å; V854-T857 PolarHBondContact O-OG1 3.16Å; L855-T857 PolarHBondContact O-N 3.04Å; T857-K879 WeakPolarHBondContact O-CB 3.48Å; T857-K879 WeakPolarHBondContact O-CG 3.41Å; T857-K879 PolarHBondContact O-N 3.23Å
858	Y	77.9	Confident	75.6	Confident	24 Å²	24	60.8 Å²	60.8	9%	0.094	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	157.8	-179	-63.5	-93.6	0	0	0	111.8	L853 V854 L855 N856 L876 E877 P878 K879	L853-Y858 HydrophobicContact CB-CE2 4.23Å; L853-Y858 HydrophobicContact CD2-CE2 4.4Å; V854-Y858 VanDerWaalsContact O-CD2 3.31Å; V854-Y858 WeakPolarHBondContact O-CD2 3.22Å; L855-Y858 PolarHBondContact O-N 3.01Å; L855-Y858 VanDerWaalsContact O-N 3.09Å; N856-Y858 VanDerWaalsContact C-N 3.34Å; Y858-L876 HydrophobicContact CD1-CB 3.87Å; Y858-L876 HydrophobicContact CG-CB 4.12Å; Y858-E877 CarbonylContact C-O 3.55Å; Y858-E877 VanDerWaalsContact CA-O 3.3Å; Y858-E877 WeakPolarHBondContact CA-O 3.15Å; Y858-P878 VanDerWaalsContact CD1-CA 3.5Å; Y858-P878 HydrophobicContact CD1-CB 3.88Å; Y858-P878 HydrophobicContact CE1-CB 3.67Å; Y858-P878 HydrophobicContact CE1-CG 4.22Å; Y858-K879 WeakPolarHBondContact O-CE 3.41Å
859	N	79.1	Confident	76.6	Confident	77 Å²	77	67.3 Å²	67.3	41%	0.412	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	139.8	163.7	-63.5	-46.2	0	0	0	108.2	L876 E877 K879	N859-L876 WeakPolarHBondContact O-CA 3.4Å; N859-E877 PolarHBondContact N-O 3.24Å; N859-E877 PolarHBondContact O-N 2.98Å; N859-K879 WeakPolarHBondContact OD1-CE 3.41Å
860	V	84.6	Confident	77.4	Confident	17 Å²	17	67.9 Å²	67.9	10%	0.103	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	120.9	178.6	63.9	0	0	0	0	111.2	F874 L876 Y900 I903 R904	V860-F874 HydrophobicContact CG2-CD2 3.91Å; V860-L876 HydrophobicContact CB-CD2 3.86Å; V860-L876 HydrophobicContact CG2-CD2 3.86Å; V860-Y900 HydrophobicContact CB-CE2 4.37Å; V860-Y900 HydrophobicContact CG1-CD2 4.25Å; V860-Y900 HydrophobicContact CG1-CE2 3.93Å; V860-Y900 HydrophobicContact CG2-CD2 3.57Å; V860-Y900 HydrophobicContact CG2-CE2 3.84Å; V860-I903 HydrophobicContact CB-CG2 4Å; V860-I903 HydrophobicContact CG1-CG2 4.21Å; V860-I903 HydrophobicContact CG2-CG2 4.3Å; V860-R904 HydrophobicContact CG1-CB 3.9Å; V860-R904 HydrophobicContact CG1-CG 4.43Å
861	V	85.4	Confident	78.1	Confident	49 Å²	49	66.2 Å²	66.2	30%	0.297	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	128.4	-179.4	-177.4	0	0	0	0	110	F874 I875 E877	V861-F874 CarbonylContact O-C 3.43Å; V861-F874 VanDerWaalsContact O-CA 3.26Å; V861-F874 WeakPolarHBondContact O-CA 3.46Å; V861-I875 PolarHBondContact N-O 2.93Å; V861-I875 PolarHBondContact O-N 3.31Å; V861-E877 HydrophobicContact CG2-CG 4.19Å
862	K	83.8	Confident	79.2	Confident	87 Å²	87	68 Å²	68	38%	0.378	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	132.2	175.1	179.3	177.2	176	174.5	0	110.1	P864 L896 Y900	K862-P864 WeakPolarHBondContact O-CD 3.11Å; K862-L896 HydrophobicContact CD-CD2 4.33Å; K862-L896 HydrophobicContact CG-CD2 4.34Å; K862-Y900 HydrophobicContact CB-CD2 4.09Å; K862-Y900 HydrophobicContact CB-CE2 3.94Å
863	M	84.5	Confident	79.9	Confident	56 Å²	56	64.9 Å²	64.9	28%	0.276	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	112	177	-62.9	-59.6	-100.4	0	0	110.9	Q865 G866 K867 V873 I875	M863-Q865 VanDerWaalsContact C-N 3.32Å; M863-Q865 PolarHBondContact O-N 2.89Å; M863-G866 PolarHBondContact O-N 2.98Å; M863-K867 HydrophobicContact CE-CD 4.25Å; M863-V873 HydrophobicContact CB-CB 4.2Å; M863-V873 HydrophobicContact CG-CB 4.49Å; M863-V873 HydrophobicContact CG-CG1 4.32Å; M863-V873 PolarHBondContact N-O 3.21Å; M863-I875 HydrophobicContact CE-CD1 3.7Å; M863-I875 HydrophobicContact CG-CD1 3.81Å; M863-I875 HydrophobicContact CG-CG1 3.98Å; M863-I875 HydrophobicContact SD-CD1 3.81Å; M863-I875 HydrophobicContact SD-CG1 4.45Å
864	P	71.8	Confident	80.5	Confident	123 Å²	123	64.1 Å²	64.1	80%	0.799	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-24	-172.4	-20	32.8	0	0	0	115	K862	K862-P864 WeakPolarHBondContact O-CD 3.11Å
865	Q	75	Confident	81	Confident	194 Å²	194	61.5 Å²	61.5	91%	0.907	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	9.4	-175.8	-62.8	-173.5	-2.8	0	0	113.1	M863	M863-Q865 VanDerWaalsContact C-N 3.32Å; M863-Q865 PolarHBondContact O-N 2.89Å
866	G	77.4	Confident	81.5	Confident	15 Å²	15	61.5 Å²	61.5	16%	0.155	32%	0.318	C	S	.	.			trans	66.1	179.8	-169.5	0	0	0	0	0	112.6	M863 K870	M863-G866 PolarHBondContact O-N 2.98Å; G866-K870 CarbonylContact C-O 3.25Å; G866-K870 WeakPolarHBondContact CA-O 3.2Å
867	K	83	Confident	81.9	Confident	67 Å²	67	62.7 Å²	62.7	29%	0.291	32%	0.322	S	S	.	.	B	Isolated β-bridge	trans	-152.5	148.8	178.1	-155	-179.2	172.3	-165.9	0	109.3	M863 Q869 K870 V873 E887	M863-K867 HydrophobicContact CE-CD 4.25Å; K867-Q869 PolarHBondContact O-N 3.34Å; K867-K870 PolarHBondContact N-O 3.44Å; K867-K870 PolarHBondContact O-N 3.04Å; K867-K870 VanDerWaalsContact O-N 3.07Å; K867-V873 HydrophobicContact CB-CB 4.45Å; K867-V873 HydrophobicContact CB-CG1 4.22Å; K867-V873 HydrophobicContact CB-CG2 4.2Å; K867-E887 WeakPolarHBondContact CD-OE2 3.27Å; K867-E887 IonicContact NZ-OE1 3.3Å; K867-E887 PolarHBondContact NZ-OE1 3.04Å; K867-E887 IonicContact NZ-OE2 2.95Å; K867-E887 PolarHBondContact NZ-OE2 2.85Å
868	H	80	Confident	82	Confident	68 Å²	68	60.9 Å²	60.9	32%	0.315	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	48	50	177.6	-57.7	-68.2	0	0	0	114.4	W484 W491 K870 E887	W484-H868 HydrophobicContact CD2-CB 4.36Å; W484-H868 AromaticContact CD2-CD2 3.75Å; W484-H868 AromaticContact CD2-CG 3.99Å; W484-H868 AromaticContact CE2-CD2 3.7Å; W484-H868 AromaticContact CE2-CE1 3.88Å; W484-H868 AromaticContact CE2-CG 3.84Å; W484-H868 AromaticContact CE2-ND1 3.94Å; W484-H868 AromaticContact CE2-NE2 3.8Å; W484-H868 HydrophobicContact CE3-CB 3.77Å; W484-H868 AromaticContact CE3-CG 3.9Å; W484-H868 HydrophobicContact CH2-CB 3.6Å; W484-H868 AromaticContact CH2-CG 3.51Å; W484-H868 AromaticContact CH2-ND1 3.5Å; W484-H868 HydrophobicContact CZ2-CB 4.21Å; W484-H868 AromaticContact CZ2-CD2 3.93Å; W484-H868 AromaticContact CZ2-CE1 3.62Å; W484-H868 AromaticContact CZ2-CG 3.6Å; W484-H868 AromaticContact CZ2-ND1 3.38Å; W484-H868 WeakPolarHBondContact CZ2-ND1 3.41Å; W484-H868 HydrophobicContact CZ3-CB 3.36Å; W484-H868 AromaticContact CZ3-CG 3.68Å; W484-H868 AromaticContact NE1-NE2 3.9Å; W491-H868 HydrophobicContact CZ2-CB 4.12Å; W491-H868 PolarHBondContact NE1-O 2.9Å; H868-K870 PolarHBondContact O-N 3.29Å; H868-K870 VanDerWaalsContact O-N 3.1Å; H868-E887 IonicContact CD2-OE2 2.78Å; H868-E887 IonicContact NE2-OE2 2.94Å
869	Q	78.1	Confident	81.9	Confident	206 Å²	206	65.2 Å²	65.2	96%	0.963	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	4.9	179.2	-51.6	177	20.9	0	0	116.3	K867	K867-Q869 PolarHBondContact O-N 3.34Å
870	K	82.3	Confident	81.3	Confident	42 Å²	42	64.1 Å²	64.1	18%	0.183	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-100.3	132	168.6	-77.1	-74.3	-166.1	176.8	0	110.5	Y482 W491 G866 K867 H868 V873 A889 D891	Y482-K870 VanDerWaalsContact CZ-NZ 3.34Å; W491-K870 HydrophobicContact CD2-CG 4.11Å; W491-K870 HydrophobicContact CG-CG 3.96Å; W491-K870 HydrophobicContact CZ2-CB 4.29Å; G866-K870 CarbonylContact C-O 3.25Å; G866-K870 WeakPolarHBondContact CA-O 3.2Å; K867-K870 PolarHBondContact N-O 3.44Å; K867-K870 PolarHBondContact O-N 3.04Å; K867-K870 VanDerWaalsContact O-N 3.07Å; H868-K870 PolarHBondContact O-N 3.29Å; H868-K870 VanDerWaalsContact O-N 3.1Å; K870-V873 HydrophobicContact CB-CG2 4.07Å; K870-A889 HydrophobicContact CB-CB 3.92Å; K870-A889 HydrophobicContact CG-CB 4.09Å; K870-D891 IonicContact NZ-OD1 2.58Å; K870-D891 PolarHBondContact NZ-OD1 2.85Å
871	P	80.4	Confident	79.9	Confident	75 Å²	75	69.5 Å²	69.5	49%	0.487	36%	0.364	S	S	.	.	S	Bend	trans	-77.5	-23.7	-175.3	28.7	-33.9	0	0	0	114.2
872	F	88.7	Confident	78.3	Confident	56 Å²	56	75.7 Å²	75.7	25%	0.246	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	91	-171.2	-51.8	-52	0	0	0	111.1	A889 T890 D891 V893 L896	F872-A889 CarbonylContact O-C 3.54Å; F872-A889 VanDerWaalsContact O-CA 3.23Å; F872-A889 WeakPolarHBondContact O-CA 3.31Å; F872-T890 WeakPolarHBondContact CB-OG1 3.21Å; F872-T890 PolarHBondContact O-N 2.86Å; F872-D891 WeakPolarHBondContact CD2-O 2.99Å; F872-D891 WeakPolarHBondContact CE2-O 2.99Å; F872-V893 HydrophobicContact CD1-CB 3.96Å; F872-V893 HydrophobicContact CD1-CG2 4.19Å; F872-V893 HydrophobicContact CE1-CB 3.69Å; F872-V893 HydrophobicContact CE1-CG2 4.11Å; F872-V893 HydrophobicContact CG-CB 4.5Å; F872-V893 HydrophobicContact CZ-CB 3.99Å; F872-L896 HydrophobicContact CB-CB 4.2Å; F872-L896 HydrophobicContact CB-CD2 3.95Å; F872-L896 HydrophobicContact CB-CG 4.46Å
873	V	86.6	Confident	77	Confident	0 Å²	0	75.4 Å²	75.4	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	138.9	-172.6	-176.9	0	0	0	0	111.1	W491 M863 K867 K870 F888 A889	W491-V873 HydrophobicContact CH2-CG1 4.06Å; W491-V873 HydrophobicContact CH2-CG2 4.28Å; W491-V873 HydrophobicContact CZ2-CG2 4.1Å; M863-V873 HydrophobicContact CB-CB 4.2Å; M863-V873 HydrophobicContact CG-CB 4.49Å; M863-V873 HydrophobicContact CG-CG1 4.32Å; M863-V873 PolarHBondContact N-O 3.21Å; K867-V873 HydrophobicContact CB-CB 4.45Å; K867-V873 HydrophobicContact CB-CG1 4.22Å; K867-V873 HydrophobicContact CB-CG2 4.2Å; K870-V873 HydrophobicContact CB-CG2 4.07Å; V873-F888 CarbonylContact C-O 3.55Å; V873-F888 VanDerWaalsContact CA-O 3.31Å; V873-F888 WeakPolarHBondContact CA-O 3.47Å; V873-F888 WeakPolarHBondContact CG1-O 3.45Å; V873-A889 HydrophobicContact CG2-CB 3.91Å
874	F	89.3	Confident	76.1	Confident	0 Å²	0	77.2 Å²	77.2	0%	0	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	150.9	165.9	71.1	-84.7	0	0	0	110.4	L481 V860 V861 L876 F888 L896 W899 I903	L481-F874 HydrophobicContact CD1-CE1 4.28Å; L481-F874 HydrophobicContact CD1-CZ 3.79Å; L481-F874 HydrophobicContact CD2-CE1 3.94Å; L481-F874 HydrophobicContact CD2-CZ 4.3Å; V860-F874 HydrophobicContact CG2-CD2 3.91Å; V861-F874 CarbonylContact O-C 3.43Å; V861-F874 VanDerWaalsContact O-CA 3.26Å; V861-F874 WeakPolarHBondContact O-CA 3.46Å; F874-L876 HydrophobicContact CD2-CD2 4.32Å; F874-L876 HydrophobicContact CE2-CD2 4.25Å; F874-L876 HydrophobicContact CE2-CG 4.37Å; F874-F888 HydrophobicContact CD1-CB 3.86Å; F874-F888 HydrophobicContact CD2-CB 4.2Å; F874-F888 HydrophobicContact CD2-CD2 4.38Å; F874-F888 HydrophobicContact CE1-CB 3.41Å; F874-F888 VanDerWaalsContact CE1-CB 3.41Å; F874-F888 HydrophobicContact CE1-CG 4.33Å; F874-F888 HydrophobicContact CE2-CB 3.75Å; F874-F888 AromaticContact CE2-CD2 3.7Å; F874-F888 HydrophobicContact CE2-CD2 3.7Å; F874-F888 AromaticContact CE2-CG 4Å; F874-F888 HydrophobicContact CE2-CG 4Å; F874-F888 HydrophobicContact CG-CB 4.27Å; F874-F888 HydrophobicContact CZ-CB 3.36Å; F874-F888 AromaticContact CZ-CD2 3.98Å; F874-F888 HydrophobicContact CZ-CD2 3.98Å; F874-F888 AromaticContact CZ-CG 3.79Å; F874-F888 HydrophobicContact CZ-CG 3.79Å; F874-F888 PolarHBondContact N-O 3Å; F874-F888 PolarHBondContact O-N 3Å; F874-L896 HydrophobicContact CB-CD1 4.02Å; F874-L896 HydrophobicContact CD1-CD1 3.57Å; F874-L896 HydrophobicContact CG-CD1 4.26Å; F874-W899 HydrophobicContact CE1-CB 4.08Å; F874-W899 HydrophobicContact CZ-CB 4.22Å; F874-I903 HydrophobicContact CE2-CD1 3.63Å; F874-I903 HydrophobicContact CZ-CD1 3.98Å
875	I	87.1	Confident	76.4	Confident	9 Å²	9	74.8 Å²	74.8	5%	0.046	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	133.2	-176.6	-56.1	-178	0	0	0	108.3	V861 M863 E877 P885 E887	V861-I875 PolarHBondContact N-O 2.93Å; V861-I875 PolarHBondContact O-N 3.31Å; M863-I875 HydrophobicContact CE-CD1 3.7Å; M863-I875 HydrophobicContact CG-CD1 3.81Å; M863-I875 HydrophobicContact CG-CG1 3.98Å; M863-I875 HydrophobicContact SD-CD1 3.81Å; M863-I875 HydrophobicContact SD-CG1 4.45Å; I875-E877 HydrophobicContact CG2-CG 3.96Å; I875-P885 HydrophobicContact CG2-CB 3.91Å; I875-E887 HydrophobicContact CD1-CG 4.29Å; I875-E887 HydrophobicContact CG1-CB 4.49Å; I875-E887 HydrophobicContact CG1-CG 4.14Å; I875-E887 HydrophobicContact CG2-CG 4.39Å
876	L	85.9	Confident	76.9	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	103.4	166.3	-61.5	-172.8	0	0	0	108.1	L853 L855 Y858 N859 V860 F874 P885 V886 F888 I903	L853-L876 HydrophobicContact CD1-CD1 3.97Å; L855-L876 HydrophobicContact CD2-CD1 3.98Å; Y858-L876 HydrophobicContact CD1-CB 3.87Å; Y858-L876 HydrophobicContact CG-CB 4.12Å; N859-L876 WeakPolarHBondContact O-CA 3.4Å; V860-L876 HydrophobicContact CB-CD2 3.86Å; V860-L876 HydrophobicContact CG2-CD2 3.86Å; F874-L876 HydrophobicContact CD2-CD2 4.32Å; F874-L876 HydrophobicContact CE2-CD2 4.25Å; F874-L876 HydrophobicContact CE2-CG 4.37Å; L876-P885 WeakPolarHBondContact O-CA 3.48Å; L876-V886 PolarHBondContact N-O 3.42Å; L876-V886 PolarHBondContact O-N 3.2Å; L876-F888 HydrophobicContact CD1-CD2 4.28Å; L876-F888 HydrophobicContact CD1-CE2 3.71Å; L876-F888 HydrophobicContact CG-CD2 4.21Å; L876-F888 HydrophobicContact CG-CE2 4.06Å; L876-I903 HydrophobicContact CD2-CD1 4.46Å; L876-I903 HydrophobicContact CD2-CG2 4.06Å
877	E	83.2	Confident	77.4	Confident	88 Å²	88	67.2 Å²	67.2	41%	0.411	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	120.8	177.1	-67.8	-177	165.8	0	0	109.2	Y858 N859 V861 I875	Y858-E877 CarbonylContact C-O 3.55Å; Y858-E877 VanDerWaalsContact CA-O 3.3Å; Y858-E877 WeakPolarHBondContact CA-O 3.15Å; N859-E877 PolarHBondContact N-O 3.24Å; N859-E877 PolarHBondContact O-N 2.98Å; V861-E877 HydrophobicContact CG2-CG 4.19Å; I875-E877 HydrophobicContact CG2-CG 3.96Å
878	P	78.9	Confident	77.7	Confident	26 Å²	26	64 Å²	64	17%	0.169	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	144.1	-179.9	22.2	-27.3	0	0	0	110.7	Y858 S880 D883	Y858-P878 VanDerWaalsContact CD1-CA 3.5Å; Y858-P878 HydrophobicContact CD1-CB 3.88Å; Y858-P878 HydrophobicContact CE1-CB 3.67Å; Y858-P878 HydrophobicContact CE1-CG 4.22Å; P878-S880 WeakPolarHBondContact CB-O 3.39Å; P878-S880 PolarHBondContact O-N 2.87Å; P878-D883 HydrophobicContact CB-CB 3.66Å; P878-D883 HydrophobicContact CG-CB 3.68Å; P878-D883 WeakPolarHBondContact CG-O 3.22Å
879	K	75.6	Confident	78.1	Confident	115 Å²	115	60.8 Å²	60.8	50%	0.5	33%	0.326	S	S	.	.	S	Bend	trans	-72.4	-21.2	173.4	-67.9	175.6	-178	170.5	0	111.7	N856 T857 Y858 N859	N856-K879 WeakPolarHBondContact O-CE 3.3Å; N856-K879 PolarHBondContact O-NZ 2.79Å; T857-K879 WeakPolarHBondContact O-CB 3.48Å; T857-K879 WeakPolarHBondContact O-CG 3.41Å; T857-K879 PolarHBondContact O-N 3.23Å; Y858-K879 WeakPolarHBondContact O-CE 3.41Å; N859-K879 WeakPolarHBondContact OD1-CE 3.41Å
880	S	66.2	Low	78.5	Confident	53 Å²	53	51 Å²	51	37%	0.371	28%	0.28	S	S	.	.	S	Bend	trans	-92.6	129.6	170.5	-174.2	0	0	0	0	110.1	P878 E882	P878-S880 WeakPolarHBondContact CB-O 3.39Å; P878-S880 PolarHBondContact O-N 2.87Å; S880-E882 PolarHBondContact O-N 2.76Å
881	P	55.3	Low	78.5	Confident	131 Å²	131	52.8 Å²	52.8	85%	0.851	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-3.4	-178	27.3	-32.4	0	0	0	115
882	E	52.1	Low	78.5	Confident	179 Å²	179	54.7 Å²	54.7	84%	0.836	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-17.8	178.9	-65.3	-173.8	173.5	0	0	113.8	S880	S880-E882 PolarHBondContact O-N 2.76Å
883	D	55.3	Low	78.1	Confident	80 Å²	80	54.9 Å²	54.9	43%	0.428	30%	0.298	S	S	.	.	S	Bend	trans	-90.8	144.2	-179.7	-69.2	-47.2	0	0	0	111.5	P878	P878-D883 HydrophobicContact CB-CB 3.66Å; P878-D883 HydrophobicContact CG-CB 3.68Å; P878-D883 WeakPolarHBondContact CG-O 3.22Å
884	P	66.9	Low	77.7	Confident	95 Å²	95	60.4 Å²	60.4	62%	0.617	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-74.2	144.1	175.3	29.1	-32.9	0	0	0	111.5
885	P	77.3	Confident	77.3	Confident	72 Å²	72	63.5 Å²	63.5	47%	0.468	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-66.3	143.6	172	28.8	-33.7	0	0	0	110.8	I875 L876	I875-P885 HydrophobicContact CG2-CB 3.91Å; L876-P885 WeakPolarHBondContact O-CA 3.48Å
886	V	84.5	Confident	77.1	Confident	26 Å²	26	63.1 Å²	63.1	16%	0.158	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	125.1	178.2	-170.1	0	0	0	0	109.5	M483 L853 L876 F888	M483-V886 HydrophobicContact CG-CG1 4.11Å; M483-V886 HydrophobicContact SD-CG1 3.92Å; L853-V886 HydrophobicContact CD1-CB 4.25Å; L853-V886 HydrophobicContact CD1-CG1 4.19Å; L853-V886 HydrophobicContact CD1-CG2 4.19Å; L853-V886 HydrophobicContact CD2-CG2 4.26Å; L876-V886 PolarHBondContact N-O 3.42Å; L876-V886 PolarHBondContact O-N 3.2Å; V886-F888 HydrophobicContact CB-CE2 4.06Å; V886-F888 HydrophobicContact CG1-CD2 4.3Å; V886-F888 HydrophobicContact CG1-CE1 4.46Å; V886-F888 HydrophobicContact CG1-CE2 3.52Å; V886-F888 HydrophobicContact CG1-CZ 3.63Å
887	E	88.9	Confident	76.8	Confident	23 Å²	23	68.6 Å²	68.6	11%	0.107	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	128	-174.1	-50.8	-177	-171.5	0	0	111	M483 W484 W491 K867 H868 I875	M483-E887 WeakPolarHBondContact CA-O 3.18Å; W484-E887 HydrophobicContact CB-CB 3.89Å; W484-E887 PolarHBondContact N-O 3.4Å; W491-E887 HydrophobicContact CH2-CB 4.23Å; K867-E887 WeakPolarHBondContact CD-OE2 3.27Å; K867-E887 IonicContact NZ-OE1 3.3Å; K867-E887 PolarHBondContact NZ-OE1 3.04Å; K867-E887 IonicContact NZ-OE2 2.95Å; K867-E887 PolarHBondContact NZ-OE2 2.85Å; H868-E887 IonicContact CD2-OE2 2.78Å; H868-E887 IonicContact NE2-OE2 2.94Å; I875-E887 HydrophobicContact CD1-CG 4.29Å; I875-E887 HydrophobicContact CG1-CB 4.49Å; I875-E887 HydrophobicContact CG1-CG 4.14Å; I875-E887 HydrophobicContact CG2-CG 4.39Å
888	F	89.1	Confident	76.7	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	141.8	179.3	-66.8	-79.4	0	0	0	111.4	L481 Y482 M483 L503 L853 V873 F874 L876 V886	L481-F888 HydrophobicContact CB-CD1 3.73Å; L481-F888 HydrophobicContact CB-CE1 4.45Å; L481-F888 HydrophobicContact CD1-CB 4.36Å; L481-F888 HydrophobicContact CD1-CD1 3.74Å; L481-F888 HydrophobicContact CD1-CE1 4.23Å; L481-F888 HydrophobicContact CD1-CG 4.1Å; L481-F888 HydrophobicContact CG-CD1 4.36Å; Y482-F888 CarbonylContact O-C 3.48Å; Y482-F888 WeakPolarHBondContact O-CA 3.38Å; M483-F888 HydrophobicContact CB-CD1 4.38Å; M483-F888 HydrophobicContact CB-CE1 4.29Å; M483-F888 HydrophobicContact CG-CD1 4.39Å; M483-F888 HydrophobicContact CG-CE1 4.05Å; M483-F888 HydrophobicContact SD-CE1 4.05Å; M483-F888 HydrophobicContact SD-CZ 4.27Å; L503-F888 HydrophobicContact CD2-CZ 4.21Å; L853-F888 HydrophobicContact CD1-CE2 3.98Å; L853-F888 HydrophobicContact CD1-CZ 3.84Å; V873-F888 CarbonylContact C-O 3.55Å; V873-F888 VanDerWaalsContact CA-O 3.31Å; V873-F888 WeakPolarHBondContact CA-O 3.47Å; V873-F888 WeakPolarHBondContact CG1-O 3.45Å; F874-F888 HydrophobicContact CD1-CB 3.86Å; F874-F888 HydrophobicContact CD2-CB 4.2Å; F874-F888 HydrophobicContact CD2-CD2 4.38Å; F874-F888 HydrophobicContact CE1-CB 3.41Å; F874-F888 VanDerWaalsContact CE1-CB 3.41Å; F874-F888 HydrophobicContact CE1-CG 4.33Å; F874-F888 HydrophobicContact CE2-CB 3.75Å; F874-F888 AromaticContact CE2-CD2 3.7Å; F874-F888 HydrophobicContact CE2-CD2 3.7Å; F874-F888 AromaticContact CE2-CG 4Å; F874-F888 HydrophobicContact CE2-CG 4Å; F874-F888 HydrophobicContact CG-CB 4.27Å; F874-F888 HydrophobicContact CZ-CB 3.36Å; F874-F888 AromaticContact CZ-CD2 3.98Å; F874-F888 HydrophobicContact CZ-CD2 3.98Å; F874-F888 AromaticContact CZ-CG 3.79Å; F874-F888 HydrophobicContact CZ-CG 3.79Å; F874-F888 PolarHBondContact N-O 3Å; F874-F888 PolarHBondContact O-N 3Å; L876-F888 HydrophobicContact CD1-CD2 4.28Å; L876-F888 HydrophobicContact CD1-CE2 3.71Å; L876-F888 HydrophobicContact CG-CD2 4.21Å; L876-F888 HydrophobicContact CG-CE2 4.06Å; V886-F888 HydrophobicContact CB-CE2 4.06Å; V886-F888 HydrophobicContact CG1-CD2 4.3Å; V886-F888 HydrophobicContact CG1-CE1 4.46Å; V886-F888 HydrophobicContact CG1-CE2 3.52Å; V886-F888 HydrophobicContact CG1-CZ 3.63Å
889	A	89.4	Confident	76.9	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	158	173.5	0	0	0	0	0	112.3	Y482 W491 K870 F872 V873	Y482-A889 PolarHBondContact N-O 3.18Å; Y482-A889 PolarHBondContact O-N 3.46Å; W491-A889 HydrophobicContact CD2-CB 4.21Å; W491-A889 HydrophobicContact CE3-CB 3.89Å; W491-A889 HydrophobicContact CH2-CB 3.67Å; W491-A889 HydrophobicContact CZ2-CB 3.98Å; W491-A889 HydrophobicContact CZ3-CB 3.61Å; K870-A889 HydrophobicContact CB-CB 3.92Å; K870-A889 HydrophobicContact CG-CB 4.09Å; F872-A889 CarbonylContact O-C 3.54Å; F872-A889 VanDerWaalsContact O-CA 3.23Å; F872-A889 WeakPolarHBondContact O-CA 3.31Å; V873-A889 HydrophobicContact CG2-CB 3.91Å
890	T	86.3	Confident	77.2	Confident	1 Å²	1	66 Å²	66	1%	0.006	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	162.3	176.3	54.4	0	0	0	0	109.8	L481 F872 K892 E895 L896	L481-T890 HydrophobicContact CD2-CG2 3.52Å; F872-T890 WeakPolarHBondContact CB-OG1 3.21Å; F872-T890 PolarHBondContact O-N 2.86Å; T890-K892 PolarHBondContact OG1-O 2.98Å; T890-K892 VanDerWaalsContact OG1-O 3.12Å; T890-E895 HydrophobicContact CG2-CB 4.09Å; T890-L896 WeakPolarHBondContact OG1-CB 3.37Å; T890-L896 PolarHBondContact OG1-N 2.78Å
891	D	80.6	Confident	77.8	Confident	80 Å²	80	65.9 Å²	65.9	43%	0.428	34%	0.339	S	S	.	.	S	Bend	trans	-86.2	-18	177.1	-71.7	-31.8	0	0	0	112.6	Y482 K870 F872	Y482-D891 VanDerWaalsContact CE2-CG 3.46Å; Y482-D891 WeakPolarHBondContact CE2-OD1 3.47Å; Y482-D891 WeakPolarHBondContact CE2-OD2 2.83Å; Y482-D891 PolarHBondContact OH-OD1 3.49Å; Y482-D891 PolarHBondContact OH-OD2 3.19Å; K870-D891 IonicContact NZ-OD1 2.58Å; K870-D891 PolarHBondContact NZ-OD1 2.85Å; F872-D891 WeakPolarHBondContact CD2-O 2.99Å; F872-D891 WeakPolarHBondContact CE2-O 2.99Å
892	K	81.1	Confident	78.7	Confident	115 Å²	115	60.2 Å²	60.2	50%	0.5	31%	0.305	S	S	.	.	S	Bend	trans	-129.1	144.7	-176.6	-67.5	-177.1	-168.7	159	0	112.1	T890 E894 E895 L896	T890-K892 PolarHBondContact OG1-O 2.98Å; T890-K892 VanDerWaalsContact OG1-O 3.12Å; K892-E894 VanDerWaalsContact C-N 3.27Å; K892-E894 WeakPolarHBondContact CB-OE2 3.3Å; K892-E894 PolarHBondContact O-N 3.38Å; K892-E895 HydrophobicContact CB-CB 4.36Å; K892-E895 HydrophobicContact CB-CG 4.13Å; K892-E895 IonicContact NZ-OE1 2.98Å; K892-E895 PolarHBondContact O-N 3.41Å; K892-L896 PolarHBondContact O-N 3.18Å; K892-L896 VanDerWaalsContact O-N 3.12Å
893	V	80.1	Confident	80.1	Confident	59 Å²	59	51.8 Å²	51.8	36%	0.358	27%	0.265	S	S	.	.	H	α-helix	trans	-68.1	-29.3	179	69.3	0	0	0	0	112.3	F872 L896 F897	F872-V893 HydrophobicContact CD1-CB 3.96Å; F872-V893 HydrophobicContact CD1-CG2 4.19Å; F872-V893 HydrophobicContact CE1-CB 3.69Å; F872-V893 HydrophobicContact CE1-CG2 4.11Å; F872-V893 HydrophobicContact CG-CB 4.5Å; F872-V893 HydrophobicContact CZ-CB 3.99Å; V893-L896 WeakPolarHBondContact O-CB 3.14Å; V893-F897 WeakPolarHBondContact O-CB 3.31Å; V893-F897 PolarHBondContact O-N 3.08Å
894	E	79.6	Confident	81.1	Confident	117 Å²	117	52 Å²	52	55%	0.547	26%	0.26	S	S	.	.	H	α-helix	trans	-65.1	-47.4	176.2	-60.3	78.4	-167.9	0	0	110.5	K892 L896 F897 E898	K892-E894 VanDerWaalsContact C-N 3.27Å; K892-E894 WeakPolarHBondContact CB-OE2 3.3Å; K892-E894 PolarHBondContact O-N 3.38Å; E894-L896 PolarHBondContact O-N 3.41Å; E894-F897 WeakPolarHBondContact O-CB 3.35Å; E894-F897 PolarHBondContact O-N 3.34Å; E894-F897 VanDerWaalsContact O-N 3.11Å; E894-E898 WeakPolarHBondContact O-CG 3.37Å; E894-E898 PolarHBondContact O-N 2.89Å
895	E	80.4	Confident	81.4	Confident	64 Å²	64	51.6 Å²	51.6	30%	0.299	25%	0.25	S	C	.	.	H	α-helix	trans	-62.8	-42.8	177	-68.1	172.1	-167.5	0	0	111.1	T890 K892 F897 E898 W899	T890-E895 HydrophobicContact CG2-CB 4.09Å; K892-E895 HydrophobicContact CB-CB 4.36Å; K892-E895 HydrophobicContact CB-CG 4.13Å; K892-E895 IonicContact NZ-OE1 2.98Å; K892-E895 PolarHBondContact O-N 3.41Å; E895-F897 VanDerWaalsContact C-N 3.27Å; E895-F897 PolarHBondContact O-N 3.06Å; E895-E898 PolarHBondContact O-N 2.79Å; E895-W899 VanDerWaalsContact O-CD1 3.28Å; E895-W899 PolarHBondContact O-N 3.3Å
896	L	82.5	Confident	81.1	Confident	2 Å²	2	49.8 Å²	49.8	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-54.8	-45.6	172.5	-178.2	69.1	0	0	0	111.3	K862 F872 F874 T890 K892 V893 E894 Y900	K862-L896 HydrophobicContact CD-CD2 4.33Å; K862-L896 HydrophobicContact CG-CD2 4.34Å; F872-L896 HydrophobicContact CB-CB 4.2Å; F872-L896 HydrophobicContact CB-CD2 3.95Å; F872-L896 HydrophobicContact CB-CG 4.46Å; F874-L896 HydrophobicContact CB-CD1 4.02Å; F874-L896 HydrophobicContact CD1-CD1 3.57Å; F874-L896 HydrophobicContact CG-CD1 4.26Å; T890-L896 WeakPolarHBondContact OG1-CB 3.37Å; T890-L896 PolarHBondContact OG1-N 2.78Å; K892-L896 PolarHBondContact O-N 3.18Å; K892-L896 VanDerWaalsContact O-N 3.12Å; V893-L896 WeakPolarHBondContact O-CB 3.14Å; E894-L896 PolarHBondContact O-N 3.41Å; L896-Y900 WeakPolarHBondContact O-CB 3.44Å; L896-Y900 PolarHBondContact O-N 2.86Å
897	F	80.3	Confident	80.2	Confident	115 Å²	115	50.3 Å²	50.3	50%	0.504	24%	0.239	S	C	.	.	H	α-helix	trans	-69.1	-41.8	-177.8	-173.4	-97.1	0	0	0	111.5	V893 E894 E895 Q901	V893-F897 WeakPolarHBondContact O-CB 3.31Å; V893-F897 PolarHBondContact O-N 3.08Å; E894-F897 WeakPolarHBondContact O-CB 3.35Å; E894-F897 PolarHBondContact O-N 3.34Å; E894-F897 VanDerWaalsContact O-N 3.11Å; E895-F897 VanDerWaalsContact C-N 3.27Å; E895-F897 PolarHBondContact O-N 3.06Å; F897-Q901 HydrophobicContact CD1-CG 3.93Å; F897-Q901 HydrophobicContact CD2-CG 4.29Å; F897-Q901 HydrophobicContact CE1-CG 3.64Å; F897-Q901 HydrophobicContact CE2-CG 4.03Å; F897-Q901 VanDerWaalsContact CE2-NE2 3.29Å; F897-Q901 HydrophobicContact CG-CG 4.26Å; F897-Q901 HydrophobicContact CZ-CG 3.7Å; F897-Q901 VanDerWaalsContact O-CB 3.27Å; F897-Q901 WeakPolarHBondContact O-CB 3.47Å; F897-Q901 WeakPolarHBondContact O-CG 3.43Å; F897-Q901 PolarHBondContact O-N 2.86Å
898	E	79.6	Confident	79	Confident	121 Å²	121	57.5 Å²	57.5	57%	0.565	27%	0.266	S	S	*	.	H	α-helix	trans	-58.6	-51.9	174.6	-73.6	176.7	-178.2	0	0	111.3	Q477 E894 E895 Q901 G902	Q477-E898 PolarHBondContact NE2-O 2.78Å; E894-E898 WeakPolarHBondContact O-CG 3.37Å; E894-E898 PolarHBondContact O-N 2.89Å; E895-E898 PolarHBondContact O-N 2.79Å; E898-Q901 PolarHBondContact O-N 3.28Å; E898-G902 PolarHBondContact O-N 3.02Å
899	W	83	Confident	77.4	Confident	11 Å²	11	62.8 Å²	62.8	4%	0.042	29%	0.289	C	S	.	.	H	α-helix	trans	-63.3	-45.4	178.6	-82.8	101.6	0	0	0	112.6	Q477 L481 C496 I498 L503 F874 E895 Q901 I903	Q477-W899 HydrophobicContact CG-CD2 4.11Å; Q477-W899 HydrophobicContact CG-CE3 3.95Å; Q477-W899 HydrophobicContact CG-CH2 4.19Å; Q477-W899 HydrophobicContact CG-CZ2 4.33Å; Q477-W899 HydrophobicContact CG-CZ3 4.02Å; L481-W899 HydrophobicContact CD1-CD2 3.92Å; L481-W899 HydrophobicContact CD1-CE3 3.89Å; L481-W899 HydrophobicContact CD1-CH2 4.19Å; L481-W899 HydrophobicContact CD1-CZ2 4.21Å; L481-W899 HydrophobicContact CD1-CZ3 4.01Å; L481-W899 HydrophobicContact CD2-CD2 4.03Å; L481-W899 HydrophobicContact CD2-CG 3.91Å; L481-W899 HydrophobicContact CG-CD2 4.24Å; L481-W899 HydrophobicContact CG-CZ2 4.19Å; C496-W899 HydrophobicContact CB-CH2 3.7Å; C496-W899 HydrophobicContact CB-CZ2 4.28Å; C496-W899 HydrophobicContact CB-CZ3 4.31Å; I498-W899 HydrophobicContact CD1-CE3 4.04Å; I498-W899 HydrophobicContact CD1-CZ3 3.68Å; I498-W899 HydrophobicContact CG1-CH2 4.47Å; I498-W899 HydrophobicContact CG1-CZ3 3.74Å; L503-W899 HydrophobicContact CD1-CZ3 4.05Å; F874-W899 HydrophobicContact CE1-CB 4.08Å; F874-W899 HydrophobicContact CZ-CB 4.22Å; E895-W899 VanDerWaalsContact O-CD1 3.28Å; E895-W899 PolarHBondContact O-N 3.3Å; W899-Q901 PolarHBondContact O-N 2.93Å; W899-I903 HydrophobicContact CE3-CD1 4.16Å; W899-I903 WeakPolarHBondContact O-CB 3.37Å; W899-I903 VanDerWaalsContact O-CG1 3.27Å; W899-I903 WeakPolarHBondContact O-CG1 3.45Å; W899-I903 PolarHBondContact O-N 3.17Å
900	Y	83.3	Confident	75	Confident	41 Å²	41	68.6 Å²	68.6	16%	0.161	33%	0.325	C	S	.	.	H	α-helix	trans	-60.5	-46.6	177	177.9	-96.2	0	0	0	111.8	V860 K862 L896 R904	V860-Y900 HydrophobicContact CB-CE2 4.37Å; V860-Y900 HydrophobicContact CG1-CD2 4.25Å; V860-Y900 HydrophobicContact CG1-CE2 3.93Å; V860-Y900 HydrophobicContact CG2-CD2 3.57Å; V860-Y900 HydrophobicContact CG2-CE2 3.84Å; K862-Y900 HydrophobicContact CB-CD2 4.09Å; K862-Y900 HydrophobicContact CB-CE2 3.94Å; L896-Y900 WeakPolarHBondContact O-CB 3.44Å; L896-Y900 PolarHBondContact O-N 2.86Å; Y900-R904 WeakPolarHBondContact O-CB 3.27Å; Y900-R904 PolarHBondContact O-N 3.07Å
901	Q	78	Confident	72.9	Confident	52 Å²	52	73.1 Å²	73.1	24%	0.243	36%	0.362	C	S	.	.	H	α-helix	trans	-68	-44.9	-179.6	-71.5	-69.5	-0.7	0	0	112	F897 E898 W899 R904 E905	F897-Q901 HydrophobicContact CD1-CG 3.93Å; F897-Q901 HydrophobicContact CD2-CG 4.29Å; F897-Q901 HydrophobicContact CE1-CG 3.64Å; F897-Q901 HydrophobicContact CE2-CG 4.03Å; F897-Q901 VanDerWaalsContact CE2-NE2 3.29Å; F897-Q901 HydrophobicContact CG-CG 4.26Å; F897-Q901 HydrophobicContact CZ-CG 3.7Å; F897-Q901 VanDerWaalsContact O-CB 3.27Å; F897-Q901 WeakPolarHBondContact O-CB 3.47Å; F897-Q901 WeakPolarHBondContact O-CG 3.43Å; F897-Q901 PolarHBondContact O-N 2.86Å; E898-Q901 PolarHBondContact O-N 3.28Å; W899-Q901 PolarHBondContact O-N 2.93Å; Q901-R904 PolarHBondContact O-N 3.38Å; Q901-E905 WeakPolarHBondContact O-CB 3.47Å; Q901-E905 VanDerWaalsContact O-CG 3.32Å; Q901-E905 WeakPolarHBondContact O-CG 3.42Å; Q901-E905 PolarHBondContact O-N 2.87Å
902	G	75.1	Confident	71.4	Confident	12 Å²	12	77.2 Å²	77.2	12%	0.124	38%	0.379	C	S	.	.	H	α-helix	trans	-68.6	-37.5	-178.5	0	0	0	0	0	113.3	Q477 E898 I906	Q477-G902 VanDerWaalsContact OE1-CA 3.25Å; E898-G902 PolarHBondContact O-N 3.02Å; G902-I906 WeakPolarHBondContact O-CD1 3.34Å; G902-I906 VanDerWaalsContact O-CG1 3.29Å; G902-I906 WeakPolarHBondContact O-CG1 3.49Å; G902-I906 PolarHBondContact O-N 3.31Å; G902-I906 VanDerWaalsContact O-N 3.17Å
903	I	79.9	Confident	69.9	Low	1 Å²	1	74.6 Å²	74.6	1%	0.005	37%	0.368	C	S	.	.	H	α-helix	trans	-65	-44.3	170.4	-65.7	168.8	0	0	0	110.3	I498 L503 L855 V860 F874 L876 W899 E905 I906 T907	I498-I903 HydrophobicContact CD1-CD1 4.41Å; I498-I903 HydrophobicContact CD1-CG1 3.61Å; L503-I903 HydrophobicContact CD1-CD1 4.01Å; L855-I903 HydrophobicContact CD1-CG1 4.26Å; L855-I903 HydrophobicContact CD1-CG2 4.43Å; L855-I903 HydrophobicContact CD2-CG1 4.43Å; L855-I903 HydrophobicContact CD2-CG2 4.01Å; V860-I903 HydrophobicContact CB-CG2 4Å; V860-I903 HydrophobicContact CG1-CG2 4.21Å; V860-I903 HydrophobicContact CG2-CG2 4.3Å; F874-I903 HydrophobicContact CE2-CD1 3.63Å; F874-I903 HydrophobicContact CZ-CD1 3.98Å; L876-I903 HydrophobicContact CD2-CD1 4.46Å; L876-I903 HydrophobicContact CD2-CG2 4.06Å; W899-I903 HydrophobicContact CE3-CD1 4.16Å; W899-I903 WeakPolarHBondContact O-CB 3.37Å; W899-I903 VanDerWaalsContact O-CG1 3.27Å; W899-I903 WeakPolarHBondContact O-CG1 3.45Å; W899-I903 PolarHBondContact O-N 3.17Å; I903-E905 PolarHBondContact O-N 3.12Å; I903-I906 PolarHBondContact O-N 3.03Å; I903-T907 HydrophobicContact CG2-CG2 4.46Å; I903-T907 WeakPolarHBondContact O-CG2 3.39Å; I903-T907 PolarHBondContact O-N 3.47Å; I903-T907 PolarHBondContact O-OG1 3.03Å
904	R	77.9	Confident	68	Low	85 Å²	85	78 Å²	78	32%	0.321	38%	0.38	S	S	.	.	H	α-helix	trans	-61.5	-43.4	178.8	-174.4	-179.6	176.5	-171.7	2.3	111.9	V860 Y900 Q901 I906 T907 W908	V860-R904 HydrophobicContact CG1-CB 3.9Å; V860-R904 HydrophobicContact CG1-CG 4.43Å; Y900-R904 WeakPolarHBondContact O-CB 3.27Å; Y900-R904 PolarHBondContact O-N 3.07Å; Q901-R904 PolarHBondContact O-N 3.38Å; R904-I906 VanDerWaalsContact C-N 3.33Å; R904-I906 PolarHBondContact O-N 2.99Å; R904-T907 WeakPolarHBondContact CA-OG1 3.24Å; R904-T907 PolarHBondContact O-N 3.34Å; R904-T907 PolarHBondContact O-OG1 3.23Å; R904-W908 HydrophobicContact CG-CE3 3.62Å; R904-W908 HydrophobicContact CG-CZ3 3.95Å; R904-W908 WeakPolarHBondContact O-CB 3.1Å; R904-W908 PolarHBondContact O-N 3.36Å
905	E	71.9	Confident	66.2	Low	86 Å²	86	78.7 Å²	78.7	40%	0.402	39%	0.388	S	S	.	.	H	α-helix	trans	-59.5	-43.2	176.3	-79.7	178	-174	0	0	111.5	Q901 I903 W908 K909	Q901-E905 WeakPolarHBondContact O-CB 3.47Å; Q901-E905 VanDerWaalsContact O-CG 3.32Å; Q901-E905 WeakPolarHBondContact O-CG 3.42Å; Q901-E905 PolarHBondContact O-N 2.87Å; I903-E905 PolarHBondContact O-N 3.12Å; E905-W908 PolarHBondContact O-N 3.08Å; E905-K909 WeakPolarHBondContact O-CG 3.42Å; E905-K909 PolarHBondContact O-N 3.23Å; E905-K909 VanDerWaalsContact O-N 3.14Å
906	I	71.5	Confident	64.3	Low	34 Å²	34	83.8 Å²	83.8	17%	0.174	40%	0.404	C	S	.	.	H	α-helix	trans	-62.2	-44.4	175.6	-68.8	166.9	0	0	0	110.7	I498 E501 L855 G902 I903 R904 W908	I498-I906 HydrophobicContact CD1-CD1 4.38Å; I498-I906 HydrophobicContact CG2-CD1 3.49Å; I498-I906 VanDerWaalsContact CG2-CD1 3.49Å; E501-I906 HydrophobicContact CB-CG2 3.84Å; E501-I906 HydrophobicContact CG-CG2 3.97Å; L855-I906 HydrophobicContact CB-CG2 4.26Å; L855-I906 HydrophobicContact CD1-CD1 4.03Å; L855-I906 HydrophobicContact CD1-CG2 4.3Å; G902-I906 WeakPolarHBondContact O-CD1 3.34Å; G902-I906 VanDerWaalsContact O-CG1 3.29Å; G902-I906 WeakPolarHBondContact O-CG1 3.49Å; G902-I906 PolarHBondContact O-N 3.31Å; G902-I906 VanDerWaalsContact O-N 3.17Å; I903-I906 PolarHBondContact O-N 3.03Å; R904-I906 VanDerWaalsContact C-N 3.33Å; R904-I906 PolarHBondContact O-N 2.99Å; I906-W908 PolarHBondContact O-N 3.41Å; I906-W908 VanDerWaalsContact O-N 3.12Å
907	T	65.5	Low	62.3	Low	38 Å²	38	91.1 Å²	91.1	23%	0.233	43%	0.431	C	S	.	.	H	α-helix	trans	-68	-9.1	177.7	60.9	0	0	0	0	114.6	I903 R904	I903-T907 HydrophobicContact CG2-CG2 4.46Å; I903-T907 WeakPolarHBondContact O-CG2 3.39Å; I903-T907 PolarHBondContact O-N 3.47Å; I903-T907 PolarHBondContact O-OG1 3.03Å; R904-T907 WeakPolarHBondContact CA-OG1 3.24Å; R904-T907 PolarHBondContact O-N 3.34Å; R904-T907 PolarHBondContact O-OG1 3.23Å
908	W	63.9	Low	60.5	Low	173 Å²	173	91.6 Å²	91.6	66%	0.655	43%	0.433	S	S	*	.	H	α-helix	trans	-125.8	-3.4	-169.4	-132	-52.4	0	0	0	115.7	R904 E905 I906 T910	R904-W908 HydrophobicContact CG-CE3 3.62Å; R904-W908 HydrophobicContact CG-CZ3 3.95Å; R904-W908 WeakPolarHBondContact O-CB 3.1Å; R904-W908 PolarHBondContact O-N 3.36Å; E905-W908 PolarHBondContact O-N 3.08Å; I906-W908 PolarHBondContact O-N 3.41Å; I906-W908 VanDerWaalsContact O-N 3.12Å; W908-T910 PolarHBondContact O-N 3.39Å
909	K	55.1	Low	58.6	Low	111 Å²	111	94.2 Å²	94.2	48%	0.483	44%	0.439	S	S	.	.			trans	-66.2	120.7	-162.6	-102.3	174.8	-157.4	-165.2	0	115.9	E905 E913	E905-K909 WeakPolarHBondContact O-CG 3.42Å; E905-K909 PolarHBondContact O-N 3.23Å; E905-K909 VanDerWaalsContact O-N 3.14Å; K909-E913 VanDerWaalsContact CE-CD 3.43Å; K909-E913 WeakPolarHBondContact CE-OE1 3.49Å; K909-E913 WeakPolarHBondContact CE-OE2 3.31Å; K909-E913 VanDerWaalsContact NZ-CD 3.3Å; K909-E913 IonicContact NZ-OE1 3.2Å; K909-E913 PolarHBondContact NZ-OE1 3.42Å; K909-E913 IonicContact NZ-OE2 2.66Å; K909-E913 PolarHBondContact NZ-OE2 2.69Å
910	T	38.7	Very low	56.5	Low	123 Å²	123	103.8 Å²	103.8	76%	0.755	48%	0.475	S	S	*	.			trans	-119.6	125.6	156	-18.8	0	0	0	0	109.9	W908 E912	W908-T910 PolarHBondContact O-N 3.39Å; T910-E912 PolarHBondContact O-N 3.31Å
911	A	43.9	Very low	54.6	Low	96 Å²	96	106 Å²	106	79%	0.793	49%	0.487	S	S	*	.	S	Bend	trans	33.5	-8.8	151.4	0	0	0	0	0	125.8
912	E	47.3	Very low	52.8	Low	166 Å²	166	112 Å²	112	78%	0.776	51%	0.513	S	S	*	.			trans	-96.3	7.1	-170.6	-79.3	-170.6	153.1	0	0	116.6	T910	T910-E912 PolarHBondContact O-N 3.31Å
913	E	49.4	Very low	51.3	Low	59 Å²	59	117.5 Å²	117.5	28%	0.276	54%	0.539	S	S	.	.	S	Bend	trans	-90.3	-16.7	-178.6	-73.1	-178.8	164.1	0	0	114.7	K909 N915 R916	K909-E913 VanDerWaalsContact CE-CD 3.43Å; K909-E913 WeakPolarHBondContact CE-OE1 3.49Å; K909-E913 WeakPolarHBondContact CE-OE2 3.31Å; K909-E913 VanDerWaalsContact NZ-CD 3.3Å; K909-E913 IonicContact NZ-OE1 3.2Å; K909-E913 PolarHBondContact NZ-OE1 3.42Å; K909-E913 IonicContact NZ-OE2 2.66Å; K909-E913 PolarHBondContact NZ-OE2 2.69Å; E913-N915 VanDerWaalsContact C-N 3.29Å; E913-N915 PolarHBondContact O-N 2.59Å; E913-R916 PolarHBondContact O-N 2.66Å
914	E	41.9	Very low	50	Low	131 Å²	131	125.3 Å²	125.3	61%	0.612	58%	0.576	S	S	*	*	H	α-helix	trans	-71.5	-25.3	-174.6	-160.9	165.8	176.4	0	0	112.8
915	N	40.3	Very low	49.5	Very low	132 Å²	132	124.3 Å²	124.3	71%	0.706	58%	0.576	S	S	*	*	H	α-helix	trans	-83.8	-17.9	177.7	-84.7	-19	0	0	0	114.3	E913	E913-N915 VanDerWaalsContact C-N 3.29Å; E913-N915 PolarHBondContact O-N 2.59Å
916	R	42.2	Very low	49.6	Very low	170 Å²	170	121 Å²	121	64%	0.642	56%	0.561	S	S	*	*	H	α-helix	trans	-82.6	-28.5	174.7	-93.5	178.7	-68.8	-172.7	0.7	112.9	E913	E913-R916 PolarHBondContact O-N 2.66Å
917	R	40.8	Very low	49.9	Very low	156 Å²	156	119.5 Å²	119.5	59%	0.589	55%	0.554	S	S	*	*	H	α-helix	trans	-64.4	-42.6	175.6	-78.4	-176.2	-164.4	139.2	7.5	112.9	Y919 W920 E921	R917-Y919 PolarHBondContact O-N 2.78Å; R917-Y919 VanDerWaalsContact O-N 3.08Å; R917-W920 PolarHBondContact O-N 3.37Å; R917-W920 VanDerWaalsContact O-N 3.16Å; R917-E921 PolarHBondContact O-N 3.44Å
918	K	40.4	Very low	50.3	Low	125 Å²	125	122.7 Å²	122.7	54%	0.543	57%	0.569	S	S	.	*	H	α-helix	trans	-63.2	-17.3	-177.8	-69.8	177.8	-179.4	169.9	0	114.7
919	Y	40.2	Very low	51.3	Low	177 Å²	177	117.8 Å²	117.8	69%	0.694	55%	0.553	S	S	*	*	H	α-helix	trans	-80.9	-34.9	177.4	-176.2	-98.7	0	0	0	112.8	R917	R917-Y919 PolarHBondContact O-N 2.78Å; R917-Y919 VanDerWaalsContact O-N 3.08Å
920	W	40.4	Very low	52.6	Low	211 Å²	211	112.5 Å²	112.5	80%	0.799	53%	0.53	S	S	*	.	H	α-helix	trans	-84	-23.7	-179	-70.9	79.5	0	0	0	112.9	R917 K922	R917-W920 PolarHBondContact O-N 3.37Å; R917-W920 VanDerWaalsContact O-N 3.16Å; W920-K922 PolarHBondContact O-N 3.31Å; W920-K922 VanDerWaalsContact O-N 3.12Å
921	E	42.7	Very low	54.7	Low	87 Å²	87	106.9 Å²	106.9	41%	0.407	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-10.3	178.4	-74.1	169.2	171.1	0	0	114.4	R917	R917-E921 PolarHBondContact O-N 3.44Å
922	K	39.3	Very low	56.6	Low	179 Å²	179	106.7 Å²	106.7	78%	0.778	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	-6	-168.2	-146.6	174.7	-177.4	178.2	0	115.6	W920	W920-K922 PolarHBondContact O-N 3.31Å; W920-K922 VanDerWaalsContact O-N 3.12Å
923	N	44.8	Very low	58.5	Low	128 Å²	128	99 Å²	99	68%	0.684	45%	0.445	S	S	*	.	S	Bend	trans	-109.5	98.4	-179.7	-76.5	-12	0	0	0	111.8
924	Q	52	Low	60.3	Low	164 Å²	164	96.1 Å²	96.1	77%	0.766	43%	0.432	S	S	*	.			trans	36.8	102.3	157.6	-66	-177.2	-11.7	0	0	118.2	V411	V411-Q924 WeakPolarHBondContact CG2-O 3.29Å
925	L	68.4	Low	62.6	Low	64 Å²	64	91 Å²	91	34%	0.335	41%	0.408	S	S	.	.			trans	-99.8	-12.1	-166.2	-68.6	151	0	0	0	116.5	I464	I464-L925 HydrophobicContact CD1-CB 3.65Å; I464-L925 HydrophobicContact CD1-CD1 3.48Å; I464-L925 VanDerWaalsContact CD1-CD1 3.48Å; I464-L925 HydrophobicContact CD1-CG 4.09Å
926	I	73.1	Confident	64.8	Low	17 Å²	17	84.9 Å²	84.9	9%	0.087	38%	0.375	C	S	.	.	S	Bend	trans	-149	136	-177.5	-56.6	171.2	0	0	0	110.8	K456 L458	K456-I926 HydrophobicContact CB-CD1 3.49Å; K456-I926 VanDerWaalsContact CB-CD1 3.49Å; K456-I926 HydrophobicContact CD-CD1 4.15Å; K456-I926 HydrophobicContact CG-CD1 4.46Å; L458-I926 HydrophobicContact CD2-CB 4.19Å; L458-I926 HydrophobicContact CD2-CD1 4.43Å; L458-I926 HydrophobicContact CG-CB 4.41Å; L458-I926 HydrophobicContact CG-CG2 4.45Å
927	A	76.8	Confident	67	Low	2 Å²	2	76.9 Å²	76.9	2%	0.017	35%	0.345	C	S	.	.			trans	-73	132	171.7	0	0	0	0	0	112.1	V411 Q414 R415 E929 L930 S931	V411-A927 HydrophobicContact CG1-CB 4.05Å; Q414-A927 HydrophobicContact CB-CB 3.65Å; R415-A927 HydrophobicContact CG-CB 4.09Å; A927-E929 PolarHBondContact O-N 3.49Å; A927-L930 HydrophobicContact CB-CB 4.4Å; A927-L930 PolarHBondContact O-N 2.83Å; A927-S931 PolarHBondContact O-N 3.32Å
928	I	75.9	Confident	69.2	Low	106 Å²	106	72 Å²	72	54%	0.544	33%	0.328	S	S	.	.	H	α-helix	trans	-58.7	-40.6	178.8	-65.7	167.8	0	0	0	110.4	L458 L930 S931 D932	L458-I928 HydrophobicContact CD1-CB 4.46Å; L458-I928 HydrophobicContact CD1-CG1 3.7Å; I928-L930 PolarHBondContact O-N 3.48Å; I928-S931 WeakPolarHBondContact O-CB 3.4Å; I928-S931 PolarHBondContact O-N 2.86Å; I928-S931 VanDerWaalsContact O-N 3.14Å; I928-D932 PolarHBondContact O-N 2.89Å
929	E	82.9	Confident	71.1	Confident	70 Å²	70	68.1 Å²	68.1	33%	0.327	32%	0.316	S	S	.	.	H	α-helix	trans	-61.1	-32.2	-177.8	-60.7	88.3	155.8	0	0	112.9	R415 A418 A927	R415-E929 WeakPolarHBondContact CD-OE1 3.44Å; R415-E929 IonicContact NE-OE1 2.76Å; R415-E929 PolarHBondContact NE-OE1 2.94Å; R415-E929 IonicContact NE-OE2 3.88Å; A418-E929 HydrophobicContact CB-CB 3.87Å; A927-E929 PolarHBondContact O-N 3.49Å
930	L	82.5	Confident	72.5	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-82.3	-40.5	175.6	-173.8	60.5	0	0	0	111.1	E407 Q414 A418 F421 A927 I928 D932 L933	E407-L930 HydrophobicContact CG-CD2 4.34Å; Q414-L930 HydrophobicContact CB-CD2 4.09Å; Q414-L930 HydrophobicContact CG-CD2 4.17Å; A418-L930 HydrophobicContact CB-CB 4.15Å; A418-L930 HydrophobicContact CB-CD1 4.33Å; F421-L930 HydrophobicContact CD2-CD1 4.24Å; F421-L930 HydrophobicContact CE2-CD1 4.19Å; A927-L930 HydrophobicContact CB-CB 4.4Å; A927-L930 PolarHBondContact O-N 2.83Å; I928-L930 PolarHBondContact O-N 3.48Å; L930-D932 VanDerWaalsContact C-N 3.26Å; L930-D932 PolarHBondContact O-N 3.48Å; L930-L933 HydrophobicContact CD1-CD1 4.4Å; L930-L933 WeakPolarHBondContact O-CB 3.32Å; L930-L933 PolarHBondContact O-N 3.1Å
931	S	83.1	Confident	73.4	Confident	4 Å²	4	51 Å²	51	3%	0.028	25%	0.254	C	S	.	.	H	α-helix	trans	-59.9	-33.5	174.1	167.3	0	0	0	0	113.1	K457 L458 A927 I928 L933 V934	K457-S931 PolarHBondContact NZ-O 3.34Å; L458-S931 PolarHBondContact N-OG 3.25Å; A927-S931 PolarHBondContact O-N 3.32Å; I928-S931 WeakPolarHBondContact O-CB 3.4Å; I928-S931 PolarHBondContact O-N 2.86Å; I928-S931 VanDerWaalsContact O-N 3.14Å; S931-L933 VanDerWaalsContact C-N 3.26Å; S931-L933 PolarHBondContact O-N 2.87Å; S931-V934 PolarHBondContact O-N 3.24Å
932	D	83.4	Confident	73.9	Confident	92 Å²	92	52.3 Å²	52.3	49%	0.492	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-24.7	178.1	-77.3	-12.6	0	0	0	113.2	I928 L930 V934	I928-D932 PolarHBondContact O-N 2.89Å; L930-D932 VanDerWaalsContact C-N 3.26Å; L930-D932 PolarHBondContact O-N 3.48Å; D932-V934 PolarHBondContact O-N 3.27Å
933	L	88.5	Confident	74.7	Confident	4 Å²	4	47 Å²	47	2%	0.021	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-13.9	176.5	-61.7	-178.6	0	0	0	113.2	A418 F421 K422 L429 M431 I453 L930 S931 I935	A418-L933 HydrophobicContact CB-CD1 4.16Å; F421-L933 HydrophobicContact CB-CD1 3.98Å; F421-L933 HydrophobicContact CD2-CD1 4.07Å; F421-L933 HydrophobicContact CG-CD1 4.49Å; K422-L933 HydrophobicContact CD-CD2 4.43Å; K422-L933 VanDerWaalsContact CE-CD2 3.45Å; K422-L933 HydrophobicContact CG-CD2 4.08Å; L429-L933 HydrophobicContact CD2-CD1 4.27Å; L429-L933 HydrophobicContact CD2-CD2 3.75Å; M431-L933 HydrophobicContact CG-CD2 4.2Å; I453-L933 HydrophobicContact CG1-CB 4.36Å; L930-L933 HydrophobicContact CD1-CD1 4.4Å; L930-L933 WeakPolarHBondContact O-CB 3.32Å; L930-L933 PolarHBondContact O-N 3.1Å; S931-L933 VanDerWaalsContact C-N 3.26Å; S931-L933 PolarHBondContact O-N 2.87Å; L933-I935 PolarHBondContact O-N 3.14Å
934	V	87.7	Confident	75.4	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.221	C	C	.	.			trans	-85.4	98.6	-179.8	-172.1	0	0	0	0	109.9	I453 H455 K457 S931 D932 K938	I453-V934 HydrophobicContact CG2-CG2 4.49Å; H455-V934 HydrophobicContact CB-CG2 3.72Å; H455-V934 WeakPolarHBondContact O-CG1 3.45Å; H455-V934 WeakPolarHBondContact O-CG2 3.48Å; K457-V934 HydrophobicContact CB-CB 4.33Å; K457-V934 HydrophobicContact CB-CG1 4.34Å; K457-V934 HydrophobicContact CD-CB 4.35Å; K457-V934 WeakPolarHBondContact CE-O 3.33Å; K457-V934 HydrophobicContact CG-CB 4.4Å; K457-V934 PolarHBondContact NZ-O 3.35Å; S931-V934 PolarHBondContact O-N 3.24Å; D932-V934 PolarHBondContact O-N 3.27Å; V934-K938 HydrophobicContact CG1-CG 3.9Å
935	I	88.5	Confident	76	Confident	22 Å²	22	40.8 Å²	40.8	11%	0.113	21%	0.21	C	C	.	.	S	Bend	trans	-95	-60.5	-178.7	-55.2	-54.3	0	0	0	111.3	L430 M431 P433 L933 K938	L430-I935 HydrophobicContact CD2-CB 4.37Å; L430-I935 HydrophobicContact CD2-CG2 4.45Å; L430-I935 WeakPolarHBondContact O-CG1 3.29Å; M431-I935 VanDerWaalsContact O-CD1 3.25Å; M431-I935 WeakPolarHBondContact O-CD1 3.45Å; P433-I935 HydrophobicContact CB-CG2 4.29Å; P433-I935 HydrophobicContact CG-CG2 3.89Å; L933-I935 PolarHBondContact O-N 3.14Å; I935-K938 WeakPolarHBondContact O-CE 3.32Å
936	Y	87.8	Confident	76.2	Confident	5 Å²	5	41.4 Å²	41.4	2%	0.02	21%	0.213	C	C	.	.	S	Bend	trans	-106.9	-177.3	168.8	-56.7	-70	0	0	0	109	L430 I434 L441 P442 K938 F952 K953	L430-Y936 HydrophobicContact CD2-CD2 3.5Å; L430-Y936 HydrophobicContact CD2-CE2 3.7Å; I434-Y936 PolarHBondContact N-OH 3.17Å; L441-Y936 HydrophobicContact CD2-CD1 3.73Å; L441-Y936 HydrophobicContact CD2-CE1 4.36Å; L441-Y936 HydrophobicContact CD2-CG 4.09Å; P442-Y936 HydrophobicContact CG-CD2 4.45Å; P442-Y936 HydrophobicContact CG-CE2 3.81Å; Y936-K938 VanDerWaalsContact C-N 3.31Å; Y936-K938 PolarHBondContact O-N 3.34Å; Y936-F952 HydrophobicContact CE1-CE2 4.13Å; Y936-K953 CarbonylContact C-O 3.59Å; Y936-K953 HydrophobicContact CD1-CG 4.12Å; Y936-K953 HydrophobicContact CE1-CG 4.4Å
937	C	88.7	Confident	76.5	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.007	21%	0.212	C	C	.	.			trans	55.1	43.1	179.6	-59	0	0	0	0	113.4	K454 P939 K953 I955	K454-C937 HydrophobicContact CB-CB 3.85Å; K454-C937 HydrophobicContact CG-CB 4.28Å; C937-P939 VanDerWaalsContact O-CD 3.25Å; C937-P939 WeakPolarHBondContact O-CD 3.27Å; C937-K953 PolarHBondContact N-O 2.87Å; C937-K953 VanDerWaalsContact N-O 3.08Å; C937-I955 HydrophobicContact CB-CB 4.42Å; C937-I955 HydrophobicContact CB-CG2 4.06Å; C937-I955 VanDerWaalsContact O-CG2 3.28Å; C937-I955 WeakPolarHBondContact O-CG2 3.32Å
938	K	85.3	Confident	76.5	Confident	53 Å²	53	47.4 Å²	47.4	23%	0.23	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	114.7	177	-62.4	174.6	-171.7	174.5	0	110.1	K457 V934 I935 Y936 K953 E954 I955	K457-K938 HydrophobicContact CD-CD 3.88Å; K457-K938 HydrophobicContact CD-CG 4.07Å; V934-K938 HydrophobicContact CG1-CG 3.9Å; I935-K938 WeakPolarHBondContact O-CE 3.32Å; Y936-K938 VanDerWaalsContact C-N 3.31Å; Y936-K938 PolarHBondContact O-N 3.34Å; K938-K953 HydrophobicContact CD-CB 4.33Å; K938-K953 PolarHBondContact N-O 3.07Å; K938-E954 CarbonylContact O-C 3.58Å; K938-E954 VanDerWaalsContact O-CA 3.27Å; K938-E954 WeakPolarHBondContact O-CA 3.41Å; K938-I955 PolarHBondContact O-N 2.95Å
939	P	81.5	Confident	76.5	Confident	44 Å²	44	49.8 Å²	49.8	29%	0.286	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	133	179.2	-17.8	32.5	0	0	0	111.1	K454 H455 C937 I955	K454-P939 HydrophobicContact CG-CG 4.31Å; H455-P939 WeakPolarHBondContact O-CD 3.49Å; C937-P939 VanDerWaalsContact O-CD 3.25Å; C937-P939 WeakPolarHBondContact O-CD 3.27Å; P939-I955 WeakPolarHBondContact CA-O 3.4Å; P939-I955 HydrophobicContact CG-CG2 4.35Å
940	T	69.5	Low	76.3	Confident	13 Å²	13	48 Å²	48	8%	0.08	25%	0.25	C	C	.	.			trans	-110.1	140.6	172.1	51.6	0	0	0	0	112.3	K944 E954	T940-K944 WeakPolarHBondContact O-CG 3.4Å; T940-E954 HydrophobicContact CG2-CB 4.21Å; T940-E954 HydrophobicContact CG2-CG 3.72Å; T940-E954 WeakPolarHBondContact CG2-OE1 3.39Å; T940-E954 VanDerWaalsContact CG2-OE2 3.27Å; T940-E954 WeakPolarHBondContact CG2-OE2 3.49Å
941	S	59.2	Low	76.4	Confident	15 Å²	15	51 Å²	51	11%	0.105	27%	0.265	C	S	.	.			trans	-118.2	-35.7	-174.8	73.8	0	0	0	0	114.3	D465 V466 N467 T943	D465-S941 PolarHBondContact O-OG 3.17Å; V466-S941 WeakPolarHBondContact CA-OG 3.21Å; N467-S941 PolarHBondContact N-OG 3.2Å; S941-T943 VanDerWaalsContact C-N 3.29Å; S941-T943 PolarHBondContact O-N 3.16Å
942	K	52.4	Low	76.5	Confident	116 Å²	116	51.9 Å²	51.9	50%	0.504	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-13.3	-172.9	-64.1	-171.4	-172.7	152	0	114.1	D465	D465-K942 WeakPolarHBondContact OD1-CD 3.3Å; D465-K942 WeakPolarHBondContact OD1-CE 3.27Å; D465-K942 IonicContact OD1-NZ 2.81Å; D465-K942 PolarHBondContact OD1-NZ 2.81Å
943	T	56.1	Low	76.7	Confident	66 Å²	66	50 Å²	50	41%	0.405	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135	22.2	-176.7	51.1	0	0	0	0	112.7	S941 D945 N946	S941-T943 VanDerWaalsContact C-N 3.29Å; S941-T943 PolarHBondContact O-N 3.16Å; T943-D945 PolarHBondContact O-N 3.26Å; T943-N946 PolarHBondContact O-N 2.91Å
944	K	60	Low	76.6	Confident	65 Å²	65	51.9 Å²	51.9	28%	0.283	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.1	-38.1	-176.7	-78.9	174.1	175.2	173.5	0	113.1	D470 T940 R956	D470-K944 IonicContact OD2-NZ 3.91Å; D470-K944 PolarHBondContact OD2-NZ 3.34Å; T940-K944 WeakPolarHBondContact O-CG 3.4Å; K944-R956 PolarHBondContact O-NH1 2.88Å
945	D	64.4	Low	76.7	Confident	98 Å²	98	51.9 Å²	51.9	52%	0.524	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-12.4	-177.8	-70.4	-14.1	0	0	0	114.5	T943 K962	T943-D945 PolarHBondContact O-N 3.26Å; D945-K962 VanDerWaalsContact CG-NZ 3.29Å; D945-K962 WeakPolarHBondContact OD1-CE 3.48Å; D945-K962 IonicContact OD1-NZ 2.6Å; D945-K962 PolarHBondContact OD1-NZ 3.24Å; D945-K962 IonicContact OD2-NZ 3.39Å; D945-K962 PolarHBondContact OD2-NZ 2.75Å
946	N	73.3	Confident	76.7	Confident	76 Å²	76	51.1 Å²	51.1	41%	0.406	26%	0.261	S	S	.	.			trans	-93.3	99	178.7	-178.4	6.3	0	0	0	110.5	T943 E948 R956	T943-N946 PolarHBondContact O-N 2.91Å; N946-E948 PolarHBondContact O-N 2.71Å; N946-E948 WeakPolarHBondContact OD1-CB 3.46Å; N946-E948 PolarHBondContact OD1-N 2.92Å; N946-R956 PolarHBondContact O-NH1 3.24Å; N946-R956 PolarHBondContact O-NH2 3.01Å
947	L	79.4	Confident	76.9	Confident	12 Å²	12	52.1 Å²	52.1	6%	0.063	27%	0.269	C	S	.	.			trans	-79	1.3	-176.1	-66.1	164.4	0	0	0	114.3	I966 E973 L974 Y977	L947-I966 HydrophobicContact CD1-CG2 4.02Å; L947-E973 HydrophobicContact CB-CB 4.22Å; L947-E973 HydrophobicContact CD1-CB 3.87Å; L947-L974 HydrophobicContact CD1-CB 4.28Å; L947-L974 HydrophobicContact CD2-CD1 4.06Å; L947-Y977 HydrophobicContact CD2-CD1 4.34Å; L947-Y977 HydrophobicContact CD2-CD2 4.35Å; L947-Y977 HydrophobicContact CD2-CG 3.95Å
948	E	76.8	Confident	77	Confident	133 Å²	133	52.5 Å²	52.5	62%	0.621	27%	0.27	S	S	*	.	S	Bend	trans	-80.2	150	-178.9	-59.2	-178.6	171.4	0	0	112.9	N946	N946-E948 PolarHBondContact O-N 2.71Å; N946-E948 WeakPolarHBondContact OD1-CB 3.46Å; N946-E948 PolarHBondContact OD1-N 2.92Å
949	N	74.7	Confident	77.3	Confident	156 Å²	156	51.9 Å²	51.9	83%	0.834	27%	0.271	S	S	*	.	S	Bend	trans	50.3	62.3	176.5	-61.5	-37.8	0	0	0	115	D951	N949-D951 PolarHBondContact O-N 3.38Å
950	P	79.1	Confident	77.8	Confident	34 Å²	34	50 Å²	50	22%	0.221	26%	0.258	C	S	.	.			trans	-62.1	125.3	-179.9	24.9	-34	0	0	0	112.5	Y977 K980	P950-Y977 HydrophobicContact CB-CD2 3.65Å; P950-Y977 HydrophobicContact CB-CE2 3.74Å; P950-Y977 HydrophobicContact CG-CD2 4.46Å; P950-K980 HydrophobicContact CB-CB 4.17Å; P950-K980 HydrophobicContact CG-CB 3.76Å; P950-K980 HydrophobicContact CG-CD 3.99Å; P950-K980 HydrophobicContact CG-CG 4.4Å
951	D	84.9	Confident	78.7	Confident	62 Å²	62	52.6 Å²	52.6	33%	0.332	27%	0.274	S	S	.	.			trans	-78.1	120.5	159.1	178.9	-2.6	0	0	0	108.3	N949 K953 E954	N949-D951 PolarHBondContact O-N 3.38Å; D951-K953 PolarHBondContact O-N 3.03Å; D951-K953 VanDerWaalsContact O-N 3.08Å; D951-K953 PolarHBondContact OD1-N 3.2Å; D951-E954 HydrophobicContact CB-CG 3.83Å; D951-E954 WeakPolarHBondContact O-CB 3.43Å; D951-E954 PolarHBondContact O-N 3.27Å
952	F	86.1	Confident	80.2	Confident	23 Å²	23	55.6 Å²	55.6	10%	0.101	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-18.4	-178.6	72.1	-89.3	0	0	0	113.3	A438 D439 Q440 L441 Y936 E954 K980	A438-F952 WeakPolarHBondContact O-CE1 3.11Å; A438-F952 WeakPolarHBondContact O-CZ 3.39Å; D439-F952 WeakPolarHBondContact O-CD1 3.42Å; Q440-F952 WeakPolarHBondContact O-CD2 3.49Å; Q440-F952 VanDerWaalsContact O-CE2 3.22Å; Q440-F952 WeakPolarHBondContact O-CE2 2.99Å; L441-F952 WeakPolarHBondContact CD1-O 3.39Å; L441-F952 HydrophobicContact CD2-CD2 4.24Å; L441-F952 WeakPolarHBondContact CD2-O 3.5Å; L441-F952 HydrophobicContact CG-CB 4.34Å; L441-F952 HydrophobicContact CG-CD2 4.12Å; L441-F952 WeakPolarHBondContact CG-O 3.45Å; Y936-F952 HydrophobicContact CE1-CE2 4.13Å; F952-E954 VanDerWaalsContact C-N 3.3Å; F952-K980 WeakPolarHBondContact CA-O 3.3Å
953	K	87.1	Confident	82	Confident	51 Å²	51	50.2 Å²	50.2	22%	0.222	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-12.1	176.7	-59.8	179	-173.1	170.8	0	112.7	Y936 C937 K938 D951	Y936-K953 CarbonylContact C-O 3.59Å; Y936-K953 HydrophobicContact CD1-CG 4.12Å; Y936-K953 HydrophobicContact CE1-CG 4.4Å; C937-K953 PolarHBondContact N-O 2.87Å; C937-K953 VanDerWaalsContact N-O 3.08Å; K938-K953 HydrophobicContact CD-CB 4.33Å; K938-K953 PolarHBondContact N-O 3.07Å; D951-K953 PolarHBondContact O-N 3.03Å; D951-K953 VanDerWaalsContact O-N 3.08Å; D951-K953 PolarHBondContact OD1-N 3.2Å
954	E	85.8	Confident	83.6	Confident	44 Å²	44	50.8 Å²	50.8	21%	0.206	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	154.9	-177.1	-63.8	-179.4	175.7	0	0	112.7	K938 T940 D951 F952 L982	K938-E954 CarbonylContact O-C 3.58Å; K938-E954 VanDerWaalsContact O-CA 3.27Å; K938-E954 WeakPolarHBondContact O-CA 3.41Å; T940-E954 HydrophobicContact CG2-CB 4.21Å; T940-E954 HydrophobicContact CG2-CG 3.72Å; T940-E954 WeakPolarHBondContact CG2-OE1 3.39Å; T940-E954 VanDerWaalsContact CG2-OE2 3.27Å; T940-E954 WeakPolarHBondContact CG2-OE2 3.49Å; D951-E954 HydrophobicContact CB-CG 3.83Å; D951-E954 WeakPolarHBondContact O-CB 3.43Å; D951-E954 PolarHBondContact O-N 3.27Å; F952-E954 VanDerWaalsContact C-N 3.3Å; E954-L982 PolarHBondContact O-N 2.86Å
955	I	89.6	Confident	85.1	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	140.1	171.1	-171.8	166.8	0	0	0	109.9	K454 C937 K938 P939 L982 R984 M1009	K454-I955 HydrophobicContact CD-CD1 4.17Å; K454-I955 HydrophobicContact CD-CG2 4.36Å; K454-I955 HydrophobicContact CG-CG2 4.2Å; C937-I955 HydrophobicContact CB-CB 4.42Å; C937-I955 HydrophobicContact CB-CG2 4.06Å; C937-I955 VanDerWaalsContact O-CG2 3.28Å; C937-I955 WeakPolarHBondContact O-CG2 3.32Å; K938-I955 PolarHBondContact O-N 2.95Å; P939-I955 WeakPolarHBondContact CA-O 3.4Å; P939-I955 HydrophobicContact CG-CG2 4.35Å; I955-L982 CarbonylContact C-O 3.48Å; I955-L982 VanDerWaalsContact CA-O 3.31Å; I955-L982 WeakPolarHBondContact CA-O 3.21Å; I955-L982 HydrophobicContact CB-CB 4.13Å; I955-L982 HydrophobicContact CD1-CB 3.95Å; I955-L982 HydrophobicContact CG1-CB 3.75Å; I955-L982 WeakPolarHBondContact CG1-O 3.43Å; I955-R984 HydrophobicContact CD1-CB 4.25Å; I955-M1009 HydrophobicContact CD1-CE 4.19Å; I955-M1009 HydrophobicContact CD1-SD 3.57Å; I955-M1009 VanDerWaalsContact CD1-SD 3.57Å
956	R	90	Very high	86.4	Confident	5 Å²	5	45.8 Å²	45.8	2%	0.019	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	137.7	171	-68.8	176.5	-168	-162.2	9.6	110.2	K944 N946 F958 Y977 L982 T983 R984	K944-R956 PolarHBondContact O-NH1 2.88Å; N946-R956 PolarHBondContact O-NH1 3.24Å; N946-R956 PolarHBondContact O-NH2 3.01Å; R956-F958 HydrophobicContact CB-CD2 4.46Å; R956-F958 HydrophobicContact CB-CE2 3.63Å; R956-F958 HydrophobicContact CB-CZ 3.71Å; R956-F958 HydrophobicContact CG-CZ 4.37Å; R956-Y977 HydrophobicContact CB-CE1 4.46Å; R956-Y977 HydrophobicContact CG-CE1 4.3Å; R956-Y977 WeakPolarHBondContact CG-OH 3.11Å; R956-Y977 VanDerWaalsContact NE-CE2 3.32Å; R956-L982 PolarHBondContact N-O 2.75Å; R956-T983 CarbonylContact O-C 3.46Å; R956-T983 WeakPolarHBondContact O-CA 3.4Å; R956-R984 PolarHBondContact O-N 3.43Å
957	S	90.9	Very high	87.2	Confident	27 Å²	27	42.3 Å²	42.3	19%	0.189	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	124.9	176.7	-61.2	0	0	0	0	109.3	K454 R984	K454-S957 VanDerWaalsContact CE-OG 3.26Å; K454-S957 WeakPolarHBondContact CE-OG 3.5Å; S957-R984 CarbonylContact C-O 3.59Å; S957-R984 VanDerWaalsContact CA-O 3.24Å; S957-R984 WeakPolarHBondContact CA-O 3.45Å
958	F	91.9	Very high	87.6	Confident	9 Å²	9	48.8 Å²	48.8	4%	0.039	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	138.1	-178.6	-56.3	-73.7	0	0	0	110.5	R956 K962 A963 I966 T983 R984 V985 Y986	R956-F958 HydrophobicContact CB-CD2 4.46Å; R956-F958 HydrophobicContact CB-CE2 3.63Å; R956-F958 HydrophobicContact CB-CZ 3.71Å; R956-F958 HydrophobicContact CG-CZ 4.37Å; F958-K962 HydrophobicContact CD1-CG 4.07Å; F958-A963 HydrophobicContact CB-CB 3.89Å; F958-I966 HydrophobicContact CD1-CD1 3.8Å; F958-I966 HydrophobicContact CE1-CD1 3.48Å; F958-I966 VanDerWaalsContact CE1-CD1 3.48Å; F958-I966 HydrophobicContact CE2-CD1 4.36Å; F958-I966 HydrophobicContact CG-CD1 4.36Å; F958-I966 HydrophobicContact CZ-CD1 3.79Å; F958-T983 HydrophobicContact CD2-CG2 3.73Å; F958-T983 HydrophobicContact CE2-CG2 3.85Å; F958-R984 PolarHBondContact N-O 2.84Å; F958-V985 VanDerWaalsContact O-CA 3.28Å; F958-V985 WeakPolarHBondContact O-CA 3.47Å; F958-Y986 VanDerWaalsContact C-CE1 3.42Å; F958-Y986 WeakPolarHBondContact O-CD1 3.19Å; F958-Y986 WeakPolarHBondContact O-CE1 3.21Å; F958-Y986 PolarHBondContact O-N 2.96Å
959	V	91	Very high	88.1	Confident	40 Å²	40	49.1 Å²	49.1	24%	0.242	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	148.4	161.4	64.4	0	0	0	0	109.4	T961 K962 A963 Y986 K988	V959-T961 PolarHBondContact O-N 3.23Å; V959-T961 VanDerWaalsContact O-N 3.11Å; V959-K962 HydrophobicContact CG1-CB 3.93Å; V959-K962 PolarHBondContact O-N 2.83Å; V959-A963 PolarHBondContact O-N 2.83Å; V959-Y986 CarbonylContact C-O 3.57Å; V959-Y986 HydrophobicContact CB-CE2 4.05Å; V959-Y986 HydrophobicContact CG2-CE2 4.3Å; V959-K988 HydrophobicContact CG2-CB 3.92Å
960	E	91.1	Very high	88.9	Confident	4 Å²	4	45.7 Å²	45.7	2%	0.019	23%	0.228	C	C	.	.	H	α-helix	trans	-47.1	-44.1	-175.1	71.9	-176	-149.6	0	0	113.3	K962 A963 E964 Y986 P987 K988 R991 Y997	E960-K962 PolarHBondContact O-N 2.86Å; E960-A963 PolarHBondContact O-N 2.84Å; E960-E964 WeakPolarHBondContact O-CB 3.28Å; E960-E964 WeakPolarHBondContact O-CG 3.23Å; E960-E964 PolarHBondContact O-N 3.35Å; E960-Y986 PolarHBondContact N-O 3.05Å; E960-P987 WeakPolarHBondContact OE2-CA 3.28Å; E960-K988 HydrophobicContact CG-CB 3.95Å; E960-K988 HydrophobicContact CG-CD 4.44Å; E960-K988 HydrophobicContact CG-CG 4.25Å; E960-K988 VanDerWaalsContact OE1-CD 3.22Å; E960-K988 WeakPolarHBondContact OE1-CD 3.25Å; E960-K988 WeakPolarHBondContact OE1-CE 3.28Å; E960-K988 VanDerWaalsContact OE1-CG 3.23Å; E960-K988 WeakPolarHBondContact OE1-CG 3.18Å; E960-K988 PolarHBondContact OE2-N 3.25Å; E960-R991 VanDerWaalsContact CD-NE 3.27Å; E960-R991 IonicContact OE1-CZ 3.19Å; E960-R991 IonicContact OE1-NE 3.57Å; E960-R991 PolarHBondContact OE1-NE 2.88Å; E960-R991 IonicContact OE1-NH2 3.75Å; E960-R991 PolarHBondContact OE1-NH2 3.48Å; E960-R991 VanDerWaalsContact OE1-NH2 3.17Å; E960-R991 WeakPolarHBondContact OE2-CD 3.49Å; E960-R991 IonicContact OE2-CZ 3.79Å; E960-R991 IonicContact OE2-NE 3.85Å; E960-R991 PolarHBondContact OE2-NE 2.86Å; E960-R991 IonicContact OE2-NH2 2.84Å; E960-Y997 HydrophobicContact CB-CD1 3.92Å; E960-Y997 HydrophobicContact CB-CE1 4.37Å; E960-Y997 HydrophobicContact CB-CG 3.99Å; E960-Y997 WeakPolarHBondContact OE2-CB 3.26Å; E960-Y997 WeakPolarHBondContact OE2-CD1 3.23Å
961	T	89.1	Confident	89.4	Confident	68 Å²	68	45.1 Å²	45.1	42%	0.417	23%	0.225	S	C	.	.	H	α-helix	trans	-65.2	-38.9	-176.5	53.5	0	0	0	0	112.3	V959 S965 K988	V959-T961 PolarHBondContact O-N 3.23Å; V959-T961 VanDerWaalsContact O-N 3.11Å; T961-S965 PolarHBondContact O-N 2.95Å; T961-S965 VanDerWaalsContact O-N 3.16Å; T961-K988 HydrophobicContact CG2-CD 3.97Å
962	K	89.9	Confident	89.7	Confident	78 Å²	78	44.7 Å²	44.7	34%	0.339	22%	0.224	S	C	.	.	H	α-helix	trans	-72.7	-40.4	175.4	-177.4	66.4	175.5	-168.6	0	110.9	D945 F958 V959 E960 S965 I966	D945-K962 VanDerWaalsContact CG-NZ 3.29Å; D945-K962 WeakPolarHBondContact OD1-CE 3.48Å; D945-K962 IonicContact OD1-NZ 2.6Å; D945-K962 PolarHBondContact OD1-NZ 3.24Å; D945-K962 IonicContact OD2-NZ 3.39Å; D945-K962 PolarHBondContact OD2-NZ 2.75Å; F958-K962 HydrophobicContact CD1-CG 4.07Å; V959-K962 HydrophobicContact CG1-CB 3.93Å; V959-K962 PolarHBondContact O-N 2.83Å; E960-K962 PolarHBondContact O-N 2.86Å; K962-S965 WeakPolarHBondContact O-CB 3.49Å; K962-S965 PolarHBondContact O-N 3.36Å; K962-I966 HydrophobicContact CG-CD1 4.26Å; K962-I966 WeakPolarHBondContact O-CG1 3.38Å; K962-I966 PolarHBondContact O-N 2.9Å
963	A	91.1	Very high	89.9	Confident	3 Å²	3	47 Å²	47	3%	0.025	24%	0.236	C	C	.	.	H	α-helix	trans	-62.5	-44.6	177.7	0	0	0	0	0	111.4	F958 V959 E960 S965 I966 V967 V985 L1002	F958-A963 HydrophobicContact CB-CB 3.89Å; V959-A963 PolarHBondContact O-N 2.83Å; E960-A963 PolarHBondContact O-N 2.84Å; A963-S965 VanDerWaalsContact C-N 3.33Å; A963-S965 PolarHBondContact O-N 2.9Å; A963-I966 PolarHBondContact O-N 2.87Å; A963-V967 WeakPolarHBondContact O-CG2 3.42Å; A963-V967 PolarHBondContact O-N 2.87Å; A963-V985 HydrophobicContact CB-CB 4.45Å; A963-V985 HydrophobicContact CB-CG1 3.65Å; A963-V985 HydrophobicContact CB-CG2 3.88Å; A963-L1002 HydrophobicContact CB-CD2 3.86Å
964	E	90.4	Very high	90.1	Very high	77 Å²	77	44.8 Å²	44.8	36%	0.36	23%	0.226	S	C	.	.	H	α-helix	trans	-60.4	-41.2	174.5	-75.9	-179.7	-170.4	0	0	112.4	E960 I966 V967 K968	E960-E964 WeakPolarHBondContact O-CB 3.28Å; E960-E964 WeakPolarHBondContact O-CG 3.23Å; E960-E964 PolarHBondContact O-N 3.35Å; E964-I966 VanDerWaalsContact C-N 3.34Å; E964-I966 PolarHBondContact O-N 2.93Å; E964-V967 PolarHBondContact O-N 3.44Å; E964-K968 WeakPolarHBondContact O-CB 3.4Å; E964-K968 VanDerWaalsContact O-CG 3.31Å; E964-K968 WeakPolarHBondContact O-CG 3.39Å; E964-K968 PolarHBondContact O-N 2.89Å
965	S	91.1	Very high	90.4	Very high	43 Å²	43	42.9 Å²	42.9	30%	0.301	22%	0.217	S	C	.	.	H	α-helix	trans	-59.3	-44.2	174.5	-175.5	0	0	0	0	111.7	T961 K962 A963 K968 Q969	T961-S965 PolarHBondContact O-N 2.95Å; T961-S965 VanDerWaalsContact O-N 3.16Å; K962-S965 WeakPolarHBondContact O-CB 3.49Å; K962-S965 PolarHBondContact O-N 3.36Å; A963-S965 VanDerWaalsContact C-N 3.33Å; A963-S965 PolarHBondContact O-N 2.9Å; S965-K968 PolarHBondContact O-N 2.77Å; S965-Q969 WeakPolarHBondContact O-CB 3.49Å; S965-Q969 WeakPolarHBondContact O-CG 3.24Å; S965-Q969 PolarHBondContact O-N 2.74Å; S965-Q969 PolarHBondContact OG-NE2 3.12Å
966	I	90.2	Very high	90.4	Very high	15 Å²	15	48.3 Å²	48.3	8%	0.077	24%	0.241	C	C	.	.	H	α-helix	trans	-65.5	-45.3	177.6	-66.2	167	0	0	0	111	L947 F958 K962 A963 E964 K968 Q969 K970 L974	L947-I966 HydrophobicContact CD1-CG2 4.02Å; F958-I966 HydrophobicContact CD1-CD1 3.8Å; F958-I966 HydrophobicContact CE1-CD1 3.48Å; F958-I966 VanDerWaalsContact CE1-CD1 3.48Å; F958-I966 HydrophobicContact CE2-CD1 4.36Å; F958-I966 HydrophobicContact CG-CD1 4.36Å; F958-I966 HydrophobicContact CZ-CD1 3.79Å; K962-I966 HydrophobicContact CG-CD1 4.26Å; K962-I966 WeakPolarHBondContact O-CG1 3.38Å; K962-I966 PolarHBondContact O-N 2.9Å; A963-I966 PolarHBondContact O-N 2.87Å; E964-I966 VanDerWaalsContact C-N 3.34Å; E964-I966 PolarHBondContact O-N 2.93Å; I966-K968 VanDerWaalsContact C-N 3.27Å; I966-K968 PolarHBondContact O-N 3.19Å; I966-Q969 PolarHBondContact O-N 3.08Å; I966-K970 CarbonylContact O-C 3.54Å; I966-K970 WeakPolarHBondContact O-CA 3.47Å; I966-K970 PolarHBondContact O-N 2.97Å; I966-L974 HydrophobicContact CG2-CB 4.21Å; I966-L974 HydrophobicContact CG2-CD1 4.45Å; I966-L974 HydrophobicContact CG2-CD2 4.09Å; I966-L974 HydrophobicContact CG2-CG 4.48Å
967	V	90.2	Very high	90.5	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.024	24%	0.24	C	C	.	.	H	α-helix	trans	-61.1	-37	177.9	171.6	0	0	0	0	111.6	A963 E964 P971 L974 R1001 L1002 M1051	A963-V967 WeakPolarHBondContact O-CG2 3.42Å; A963-V967 PolarHBondContact O-N 2.87Å; E964-V967 PolarHBondContact O-N 3.44Å; V967-P971 VanDerWaalsContact O-CB 3.32Å; V967-P971 WeakPolarHBondContact O-CB 3.49Å; V967-P971 VanDerWaalsContact O-CD 3.31Å; V967-P971 WeakPolarHBondContact O-CD 3.23Å; V967-L974 HydrophobicContact CG2-CD2 3.78Å; V967-R1001 HydrophobicContact CG1-CB 4.04Å; V967-L1002 HydrophobicContact CG2-CD2 3.82Å; V967-M1051 HydrophobicContact CG1-CE 4.25Å
968	K	88.1	Confident	90.6	Very high	147 Å²	147	46.9 Å²	46.9	64%	0.639	23%	0.231	S	C	*	.	H	α-helix	trans	-70.7	-38.5	177.2	-73.5	173.3	-178	173.5	0	112.7	E964 S965 I966	E964-K968 WeakPolarHBondContact O-CB 3.4Å; E964-K968 VanDerWaalsContact O-CG 3.31Å; E964-K968 WeakPolarHBondContact O-CG 3.39Å; E964-K968 PolarHBondContact O-N 2.89Å; S965-K968 PolarHBondContact O-N 2.77Å; I966-K968 VanDerWaalsContact C-N 3.27Å; I966-K968 PolarHBondContact O-N 3.19Å
969	Q	88.7	Confident	90.6	Very high	140 Å²	140	48.1 Å²	48.1	65%	0.654	24%	0.237	S	C	*	.	H	α-helix	trans	-88.6	-39.7	-174	-67.5	175.9	12	0	0	113.4	S965 I966	S965-Q969 WeakPolarHBondContact O-CB 3.49Å; S965-Q969 WeakPolarHBondContact O-CG 3.24Å; S965-Q969 PolarHBondContact O-N 2.74Å; S965-Q969 PolarHBondContact OG-NE2 3.12Å; I966-Q969 PolarHBondContact O-N 3.08Å
970	K	90.1	Very high	90.6	Very high	84 Å²	84	52 Å²	52	37%	0.365	25%	0.251	S	S	.	.			trans	-143.2	52.9	-165.5	-68.4	173	159	-127.6	0	112.9	I966 V972 E973 L974	I966-K970 CarbonylContact O-C 3.54Å; I966-K970 WeakPolarHBondContact O-CA 3.47Å; I966-K970 PolarHBondContact O-N 2.97Å; K970-V972 PolarHBondContact O-N 2.92Å; K970-E973 HydrophobicContact CB-CB 4.2Å; K970-E973 HydrophobicContact CB-CG 4.38Å; K970-E973 WeakPolarHBondContact CD-OE2 3.28Å; K970-E973 IonicContact NZ-OE1 2.91Å; K970-E973 PolarHBondContact NZ-OE1 2.82Å; K970-E973 IonicContact NZ-OE2 2.81Å; K970-E973 PolarHBondContact NZ-OE2 2.94Å; K970-E973 PolarHBondContact O-N 2.85Å; K970-L974 PolarHBondContact O-N 3.08Å; K970-L974 VanDerWaalsContact O-N 3.15Å
971	P	90.4	Very high	90.5	Very high	22 Å²	22	51.9 Å²	51.9	14%	0.143	25%	0.25	C	S	.	.	H	α-helix	trans	-63.7	-40	-173.9	24.9	-32.7	0	0	0	113.3	V967 L974 L975 P1050 M1051	V967-P971 VanDerWaalsContact O-CB 3.32Å; V967-P971 WeakPolarHBondContact O-CB 3.49Å; V967-P971 VanDerWaalsContact O-CD 3.31Å; V967-P971 WeakPolarHBondContact O-CD 3.23Å; P971-L974 PolarHBondContact O-N 3.08Å; P971-L975 PolarHBondContact O-N 2.94Å; P971-P1050 HydrophobicContact CB-CG 4.02Å; P971-M1051 HydrophobicContact CG-CB 4.35Å
972	V	90.4	Very high	90.8	Very high	54 Å²	54	48.6 Å²	48.6	33%	0.327	23%	0.23	S	C	.	.	H	α-helix	trans	-68.1	-38.3	179.3	179.6	0	0	0	0	112	K970 L974 L975 K976	K970-V972 PolarHBondContact O-N 2.92Å; V972-L974 VanDerWaalsContact C-N 3.34Å; V972-L975 PolarHBondContact O-N 3.49Å; V972-K976 HydrophobicContact CG1-CD 4.4Å; V972-K976 WeakPolarHBondContact O-CG 3.19Å; V972-K976 PolarHBondContact O-N 2.77Å
973	E	90.7	Very high	91.1	Very high	72 Å²	72	45 Å²	45	34%	0.336	21%	0.214	S	C	.	.	H	α-helix	trans	-65.3	-40.4	176.4	-64.5	177	-151.7	0	0	110.9	L947 K970 K976 Y977	L947-E973 HydrophobicContact CB-CB 4.22Å; L947-E973 HydrophobicContact CD1-CB 3.87Å; K970-E973 HydrophobicContact CB-CB 4.2Å; K970-E973 HydrophobicContact CB-CG 4.38Å; K970-E973 WeakPolarHBondContact CD-OE2 3.28Å; K970-E973 IonicContact NZ-OE1 2.91Å; K970-E973 PolarHBondContact NZ-OE1 2.82Å; K970-E973 IonicContact NZ-OE2 2.81Å; K970-E973 PolarHBondContact NZ-OE2 2.94Å; K970-E973 PolarHBondContact O-N 2.85Å; E973-K976 PolarHBondContact O-N 2.97Å; E973-Y977 PolarHBondContact O-N 2.93Å
974	L	91.6	Very high	91.3	Very high	3 Å²	3	45 Å²	45	2%	0.016	21%	0.214	C	C	.	.	H	α-helix	trans	-64.7	-42.5	176.9	-178.6	61.2	0	0	0	111.6	L947 I966 V967 K970 P971 V972 Y977 N978 C1005	L947-L974 HydrophobicContact CD1-CB 4.28Å; L947-L974 HydrophobicContact CD2-CD1 4.06Å; I966-L974 HydrophobicContact CG2-CB 4.21Å; I966-L974 HydrophobicContact CG2-CD1 4.45Å; I966-L974 HydrophobicContact CG2-CD2 4.09Å; I966-L974 HydrophobicContact CG2-CG 4.48Å; V967-L974 HydrophobicContact CG2-CD2 3.78Å; K970-L974 PolarHBondContact O-N 3.08Å; K970-L974 VanDerWaalsContact O-N 3.15Å; P971-L974 PolarHBondContact O-N 3.08Å; V972-L974 VanDerWaalsContact C-N 3.34Å; L974-Y977 WeakPolarHBondContact O-CB 3.18Å; L974-Y977 PolarHBondContact O-N 3.18Å; L974-N978 WeakPolarHBondContact O-CB 3.26Å; L974-N978 PolarHBondContact O-N 3.37Å; L974-N978 PolarHBondContact O-ND2 3.14Å; L974-C1005 HydrophobicContact CD2-CB 3.84Å; L974-C1005 HydrophobicContact CG-CB 4.15Å
975	L	92	Very high	91.6	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.021	20%	0.197	C	C	.	.	H	α-helix	trans	-60.2	-47.2	174.9	179.2	66.6	0	0	0	111.7	P971 V972 Y977 N978 Q979 C1005 M1043 Y1048 P1050	P971-L975 PolarHBondContact O-N 2.94Å; V972-L975 PolarHBondContact O-N 3.49Å; L975-Y977 VanDerWaalsContact C-N 3.3Å; L975-Y977 PolarHBondContact O-N 3.16Å; L975-N978 PolarHBondContact O-N 2.82Å; L975-N978 VanDerWaalsContact O-N 3.1Å; L975-Q979 WeakPolarHBondContact O-CG 3.05Å; L975-Q979 PolarHBondContact O-N 2.99Å; L975-C1005 WeakPolarHBondContact CA-O 3.29Å; L975-M1043 HydrophobicContact CD1-CE 4.27Å; L975-Y1048 HydrophobicContact CD2-CD1 3.62Å; L975-Y1048 HydrophobicContact CD2-CE1 4.33Å; L975-P1050 HydrophobicContact CD2-CG 4.3Å
976	K	90.6	Very high	91.8	Very high	115 Å²	115	43 Å²	43	50%	0.5	20%	0.197	S	C	.	.	H	α-helix	trans	-60.9	-38.7	177	-74.2	-179.9	178.9	-174.4	0	112.4	V972 E973	V972-K976 HydrophobicContact CG1-CD 4.4Å; V972-K976 WeakPolarHBondContact O-CG 3.19Å; V972-K976 PolarHBondContact O-N 2.77Å; E973-K976 PolarHBondContact O-N 2.97Å
977	Y	91.7	Very high	92	Very high	1 Å²	1	42.6 Å²	42.6	0%	0.004	20%	0.195	C	C	.	.	H	α-helix	trans	-60.3	-49.8	171.8	173.9	-93.8	0	0	0	110.7	L947 P950 R956 E973 L974 L975 Q979 K980 G981 L982 T983	L947-Y977 HydrophobicContact CD2-CD1 4.34Å; L947-Y977 HydrophobicContact CD2-CD2 4.35Å; L947-Y977 HydrophobicContact CD2-CG 3.95Å; P950-Y977 HydrophobicContact CB-CD2 3.65Å; P950-Y977 HydrophobicContact CB-CE2 3.74Å; P950-Y977 HydrophobicContact CG-CD2 4.46Å; R956-Y977 HydrophobicContact CB-CE1 4.46Å; R956-Y977 HydrophobicContact CG-CE1 4.3Å; R956-Y977 WeakPolarHBondContact CG-OH 3.11Å; R956-Y977 VanDerWaalsContact NE-CE2 3.32Å; E973-Y977 PolarHBondContact O-N 2.93Å; L974-Y977 WeakPolarHBondContact O-CB 3.18Å; L974-Y977 PolarHBondContact O-N 3.18Å; L975-Y977 VanDerWaalsContact C-N 3.3Å; L975-Y977 PolarHBondContact O-N 3.16Å; Y977-Q979 VanDerWaalsContact C-N 3.26Å; Y977-Q979 PolarHBondContact O-N 2.9Å; Y977-K980 PolarHBondContact O-N 2.82Å; Y977-G981 PolarHBondContact O-N 3.41Å; Y977-L982 PolarHBondContact OH-O 3.41Å; Y977-T983 WeakPolarHBondContact CE1-OG1 3.37Å
978	N	93.4	Very high	91.8	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-67.5	-18	-176.1	-75.4	-27.7	0	0	0	114.7	S319 L974 L975 K980 G981 T983 C1005 G1006 S1007 Q1008	S319-N978 WeakPolarHBondContact CB-O 3.27Å; L974-N978 WeakPolarHBondContact O-CB 3.26Å; L974-N978 PolarHBondContact O-N 3.37Å; L974-N978 PolarHBondContact O-ND2 3.14Å; L975-N978 PolarHBondContact O-N 2.82Å; L975-N978 VanDerWaalsContact O-N 3.1Å; N978-K980 PolarHBondContact O-N 3.29Å; N978-G981 WeakPolarHBondContact CA-O 3.38Å; N978-T983 WeakPolarHBondContact OD1-CB 3.49Å; N978-T983 PolarHBondContact OD1-OG1 2.74Å; N978-C1005 PolarHBondContact ND2-O 2.93Å; N978-G1006 WeakPolarHBondContact CB-O 3.4Å; N978-S1007 WeakPolarHBondContact ND2-CA 3.34Å; N978-S1007 PolarHBondContact ND2-N 3.19Å; N978-S1007 PolarHBondContact ND2-OG 3.02Å; N978-Q1008 PolarHBondContact O-NE2 3.48Å
979	Q	91.5	Very high	91.2	Very high	36 Å²	36	40.5 Å²	40.5	17%	0.168	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-27.4	170.8	-72.3	170.9	-11.2	0	0	111.9	S319 H320 L975 Y977 M1043	S319-Q979 WeakPolarHBondContact CB-O 3.41Å; S319-Q979 PolarHBondContact OG-O 3.01Å; H320-Q979 PolarHBondContact CD2-O 3.27Å; H320-Q979 PolarHBondContact NE2-O 2.81Å; L975-Q979 WeakPolarHBondContact O-CG 3.05Å; L975-Q979 PolarHBondContact O-N 2.99Å; Y977-Q979 VanDerWaalsContact C-N 3.26Å; Y977-Q979 PolarHBondContact O-N 2.9Å; Q979-M1043 PolarHBondContact NE2-O 2.96Å
980	K	89.9	Confident	90.6	Very high	122 Å²	122	37 Å²	37	53%	0.53	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.1	-43.4	-177.5	-67.5	-176.4	177.5	-177.6	0	114.2	P950 F952 Y977 N978	P950-K980 HydrophobicContact CB-CB 4.17Å; P950-K980 HydrophobicContact CG-CB 3.76Å; P950-K980 HydrophobicContact CG-CD 3.99Å; P950-K980 HydrophobicContact CG-CG 4.4Å; F952-K980 WeakPolarHBondContact CA-O 3.3Å; Y977-K980 PolarHBondContact O-N 2.82Å; N978-K980 PolarHBondContact O-N 3.29Å
981	G	90.5	Very high	90.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	-99	169.7	179.8	0	0	0	0	0	112.7	Y977 N978 Q1008	Y977-G981 PolarHBondContact O-N 3.41Å; N978-G981 WeakPolarHBondContact CA-O 3.38Å; G981-Q1008 PolarHBondContact O-NE2 3.39Å
982	L	94.4	Very high	89.6	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	141.7	177.4	-63.7	174.2	0	0	0	111.4	L318 L441 E954 I955 R956 Y977 Q1008	L318-L982 HydrophobicContact CD2-CD1 4.39Å; L441-L982 HydrophobicContact CD1-CD1 3.96Å; L441-L982 HydrophobicContact CD1-CD2 3.97Å; L441-L982 HydrophobicContact CD1-CG 3.7Å; E954-L982 PolarHBondContact O-N 2.86Å; I955-L982 CarbonylContact C-O 3.48Å; I955-L982 VanDerWaalsContact CA-O 3.31Å; I955-L982 WeakPolarHBondContact CA-O 3.21Å; I955-L982 HydrophobicContact CB-CB 4.13Å; I955-L982 HydrophobicContact CD1-CB 3.95Å; I955-L982 HydrophobicContact CG1-CB 3.75Å; I955-L982 WeakPolarHBondContact CG1-O 3.43Å; R956-L982 PolarHBondContact N-O 2.75Å; Y977-L982 PolarHBondContact OH-O 3.41Å; L982-Q1008 HydrophobicContact CD2-CB 4.21Å; L982-Q1008 HydrophobicContact CD2-CG 3.88Å
983	T	95.4	Very high	89	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	127.3	171.6	-66.8	0	0	0	0	110.3	R956 F958 Y977 N978 V985 M1009	R956-T983 CarbonylContact O-C 3.46Å; R956-T983 WeakPolarHBondContact O-CA 3.4Å; F958-T983 HydrophobicContact CD2-CG2 3.73Å; F958-T983 HydrophobicContact CE2-CG2 3.85Å; Y977-T983 WeakPolarHBondContact CE1-OG1 3.37Å; N978-T983 WeakPolarHBondContact OD1-CB 3.49Å; N978-T983 PolarHBondContact OD1-OG1 2.74Å; T983-V985 HydrophobicContact CG2-CG2 3.98Å; T983-M1009 PolarHBondContact O-N 3.13Å
984	R	96.3	Very high	89.1	Confident	4 Å²	4	32 Å²	32	2%	0.015	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	132.7	166.9	-174.9	-178.5	-173.9	-111.7	3.5	110	S326 E357 I955 R956 S957 F958 M1009	S326-R984 PolarHBondContact O-NH2 2.99Å; E357-R984 IonicContact OE1-CZ 3.09Å; E357-R984 VanDerWaalsContact OE1-CZ 3.26Å; E357-R984 IonicContact OE1-NH1 3.62Å; E357-R984 PolarHBondContact OE1-NH1 2.99Å; E357-R984 IonicContact OE1-NH2 2.67Å; E357-R984 PolarHBondContact OE1-NH2 2.73Å; E357-R984 IonicContact OE2-CZ 3.06Å; E357-R984 IonicContact OE2-NH1 3.75Å; E357-R984 IonicContact OE2-NH2 2.69Å; E357-R984 PolarHBondContact OE2-NH2 3.34Å; I955-R984 HydrophobicContact CD1-CB 4.25Å; R956-R984 PolarHBondContact O-N 3.43Å; S957-R984 CarbonylContact C-O 3.59Å; S957-R984 VanDerWaalsContact CA-O 3.24Å; S957-R984 WeakPolarHBondContact CA-O 3.45Å; F958-R984 PolarHBondContact N-O 2.84Å; R984-M1009 CarbonylContact C-O 3.45Å; R984-M1009 VanDerWaalsContact CA-O 3.24Å; R984-M1009 WeakPolarHBondContact CA-O 3.16Å; R984-M1009 HydrophobicContact CB-CB 4.01Å; R984-M1009 HydrophobicContact CG-CB 4.08Å; R984-M1009 WeakPolarHBondContact CG-O 3.41Å
985	V	96.7	Very high	89.1	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	143.2	170.7	-173.6	0	0	0	0	108.9	F958 A963 T983 Y997 L1002 M1009 A1011	F958-V985 VanDerWaalsContact O-CA 3.28Å; F958-V985 WeakPolarHBondContact O-CA 3.47Å; A963-V985 HydrophobicContact CB-CB 4.45Å; A963-V985 HydrophobicContact CB-CG1 3.65Å; A963-V985 HydrophobicContact CB-CG2 3.88Å; T983-V985 HydrophobicContact CG2-CG2 3.98Å; V985-Y997 HydrophobicContact CG1-CE2 4.18Å; V985-Y997 PolarHBondContact O-OH 3.09Å; V985-L1002 HydrophobicContact CB-CD1 3.95Å; V985-L1002 HydrophobicContact CG1-CD1 3.74Å; V985-L1002 HydrophobicContact CG2-CD1 4.01Å; V985-L1002 HydrophobicContact CG2-CD2 4.01Å; V985-M1009 PolarHBondContact N-O 2.69Å; V985-A1011 WeakPolarHBondContact O-CA 3.24Å; V985-A1011 VanDerWaalsContact O-CB 3.23Å; V985-A1011 WeakPolarHBondContact O-CB 3.44Å; V985-A1011 PolarHBondContact O-N 3.2Å
986	Y	95.8	Very high	89.3	Confident	78 Å²	78	33.1 Å²	33.1	31%	0.306	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	155.8	179.9	60.9	-86.6	0	0	0	112	F958 V959 E960	F958-Y986 VanDerWaalsContact C-CE1 3.42Å; F958-Y986 WeakPolarHBondContact O-CD1 3.19Å; F958-Y986 WeakPolarHBondContact O-CE1 3.21Å; F958-Y986 PolarHBondContact O-N 2.96Å; V959-Y986 CarbonylContact C-O 3.57Å; V959-Y986 HydrophobicContact CB-CE2 4.05Å; V959-Y986 HydrophobicContact CG2-CE2 4.3Å; E960-Y986 PolarHBondContact N-O 3.05Å
987	P	94.3	Very high	89.5	Confident	5 Å²	5	27.8 Å²	27.8	3%	0.032	15%	0.146	C	C	.	.			trans	-63.8	154.6	-175.3	-18.5	31.4	0	0	0	113.2	H327 E960 Y997 A1011	H327-P987 HydrophobicContact CB-CG 4.26Å; E960-P987 WeakPolarHBondContact OE2-CA 3.28Å; P987-Y997 HydrophobicContact CB-CD1 4.1Å; P987-Y997 HydrophobicContact CB-CE1 4.25Å; P987-Y997 HydrophobicContact CG-CD1 4.02Å; P987-Y997 HydrophobicContact CG-CE1 3.78Å; P987-A1011 WeakPolarHBondContact CD-O 3.46Å
988	K	86.3	Confident	89.6	Confident	41 Å²	41	30.4 Å²	30.4	18%	0.178	16%	0.161	C	C	.	.			trans	-72.8	148.3	173.8	70.8	-174.1	173.5	179.3	0	111.9	E841 V959 E960 T961 Q990 R991	E841-K988 IonicContact OE1-NZ 3.51Å; V959-K988 HydrophobicContact CG2-CB 3.92Å; E960-K988 HydrophobicContact CG-CB 3.95Å; E960-K988 HydrophobicContact CG-CD 4.44Å; E960-K988 HydrophobicContact CG-CG 4.25Å; E960-K988 VanDerWaalsContact OE1-CD 3.22Å; E960-K988 WeakPolarHBondContact OE1-CD 3.25Å; E960-K988 WeakPolarHBondContact OE1-CE 3.28Å; E960-K988 VanDerWaalsContact OE1-CG 3.23Å; E960-K988 WeakPolarHBondContact OE1-CG 3.18Å; E960-K988 PolarHBondContact OE2-N 3.25Å; T961-K988 HydrophobicContact CG2-CD 3.97Å; K988-Q990 HydrophobicContact CD-CB 4.42Å; K988-Q990 HydrophobicContact CG-CB 4.27Å; K988-Q990 PolarHBondContact O-N 3.24Å; K988-Q990 VanDerWaalsContact O-N 3.1Å; K988-R991 HydrophobicContact CG-CG 4.02Å; K988-R991 WeakPolarHBondContact O-CB 3.43Å; K988-R991 PolarHBondContact O-N 3.04Å
989	G	74.6	Confident	89.7	Confident	67 Å²	67	30.4 Å²	30.4	69%	0.691	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-20.9	-177.5	0	0	0	0	0	115	R991	G989-R991 PolarHBondContact O-N 2.8Å
990	Q	76.1	Confident	89.6	Confident	66 Å²	66	29.1 Å²	29.1	31%	0.308	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-14.2	176.1	-64.9	81.2	-1.7	0	0	113.4	K988 V992	K988-Q990 HydrophobicContact CD-CB 4.42Å; K988-Q990 HydrophobicContact CG-CB 4.27Å; K988-Q990 PolarHBondContact O-N 3.24Å; K988-Q990 VanDerWaalsContact O-N 3.1Å; Q990-V992 PolarHBondContact O-N 3.32Å
991	R	82.9	Confident	89.5	Confident	51 Å²	51	27.3 Å²	27.3	19%	0.192	14%	0.144	C	C	.	.			trans	-79.1	58.2	174	-65.2	176.6	175.9	-84.4	5.9	110.7	Q335 E960 K988 G989 D993 S994 S995 N996	Q335-R991 WeakPolarHBondContact CG-O 3.23Å; E960-R991 VanDerWaalsContact CD-NE 3.27Å; E960-R991 IonicContact OE1-CZ 3.19Å; E960-R991 IonicContact OE1-NE 3.57Å; E960-R991 PolarHBondContact OE1-NE 2.88Å; E960-R991 IonicContact OE1-NH2 3.75Å; E960-R991 PolarHBondContact OE1-NH2 3.48Å; E960-R991 VanDerWaalsContact OE1-NH2 3.17Å; E960-R991 WeakPolarHBondContact OE2-CD 3.49Å; E960-R991 IonicContact OE2-CZ 3.79Å; E960-R991 IonicContact OE2-NE 3.85Å; E960-R991 PolarHBondContact OE2-NE 2.86Å; E960-R991 IonicContact OE2-NH2 2.84Å; K988-R991 HydrophobicContact CG-CG 4.02Å; K988-R991 WeakPolarHBondContact O-CB 3.43Å; K988-R991 PolarHBondContact O-N 3.04Å; G989-R991 PolarHBondContact O-N 2.8Å; R991-D993 PolarHBondContact O-N 3.28Å; R991-S994 WeakPolarHBondContact O-CA 3.22Å; R991-S994 PolarHBondContact O-N 2.92Å; R991-S995 WeakPolarHBondContact CD-O 3.45Å; R991-S995 PolarHBondContact NH1-OG 3.34Å; R991-N996 PolarHBondContact NH1-O 3.32Å
992	V	76.1	Confident	89.7	Confident	3 Å²	3	27.7 Å²	27.7	2%	0.018	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-26.8	-178.6	-67.3	0	0	0	0	112.4	D334 Q335 L336 L845 L848 Q990 S994	D334-V992 WeakPolarHBondContact CB-O 3.37Å; Q335-V992 PolarHBondContact N-O 3.29Å; L336-V992 HydrophobicContact CD1-CB 4Å; L336-V992 HydrophobicContact CD1-CG1 4.06Å; L336-V992 HydrophobicContact CD2-CG1 4.39Å; L336-V992 HydrophobicContact CG-CB 4.2Å; L336-V992 HydrophobicContact CG-CG1 4.23Å; L845-V992 WeakPolarHBondContact O-CG2 3.46Å; L848-V992 HydrophobicContact CB-CG2 4.14Å; L848-V992 HydrophobicContact CD1-CB 4.06Å; L848-V992 HydrophobicContact CD1-CG2 3.41Å; L848-V992 VanDerWaalsContact CD1-CG2 3.41Å; L848-V992 HydrophobicContact CG-CG2 3.63Å; Q990-V992 PolarHBondContact O-N 3.32Å; V992-S994 PolarHBondContact O-N 3.35Å
993	D	79	Confident	89.7	Confident	72 Å²	72	27.8 Å²	27.8	39%	0.385	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-1.2	173.1	68.7	-11.1	0	0	0	113.8	R991 S995	R991-D993 PolarHBondContact O-N 3.28Å; D993-S995 VanDerWaalsContact C-N 3.28Å; D993-S995 PolarHBondContact O-N 2.92Å; D993-S995 VanDerWaalsContact OD1-CB 3.28Å; D993-S995 WeakPolarHBondContact OD1-CB 3.44Å; D993-S995 PolarHBondContact OD1-N 3.35Å; D993-S995 PolarHBondContact OD1-OG 3.16Å
994	S	91.4	Very high	89.5	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.147	C	C	.	.			trans	62.9	25.1	-174.5	-51.9	0	0	0	0	114.9	G333 Q335 R991 V992 N1013 Q1015 T1016	G333-S994 PolarHBondContact O-OG 2.85Å; Q335-S994 PolarHBondContact NE2-OG 3.42Å; R991-S994 WeakPolarHBondContact O-CA 3.22Å; R991-S994 PolarHBondContact O-N 2.92Å; V992-S994 PolarHBondContact O-N 3.35Å; S994-N1013 VanDerWaalsContact O-CB 3.29Å; S994-N1013 WeakPolarHBondContact O-CB 3.27Å; S994-N1013 PolarHBondContact O-ND2 2.95Å; S994-N1013 VanDerWaalsContact O-ND2 3.08Å; S994-Q1015 PolarHBondContact OG-NE2 3.24Å; S994-T1016 WeakPolarHBondContact O-CB 3.21Å; S994-T1016 PolarHBondContact O-OG1 3.22Å
995	S	92.4	Very high	89.4	Confident	28 Å²	28	27.7 Å²	27.7	20%	0.196	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-56.9	153.7	168.5	53.8	0	0	0	0	112.1	R991 D993 N1013	R991-S995 WeakPolarHBondContact CD-O 3.45Å; R991-S995 PolarHBondContact NH1-OG 3.34Å; D993-S995 VanDerWaalsContact C-N 3.28Å; D993-S995 PolarHBondContact O-N 2.92Å; D993-S995 VanDerWaalsContact OD1-CB 3.28Å; D993-S995 WeakPolarHBondContact OD1-CB 3.44Å; D993-S995 PolarHBondContact OD1-N 3.35Å; D993-S995 PolarHBondContact OD1-OG 3.16Å; S995-N1013 PolarHBondContact O-ND2 2.95Å
996	N	96.4	Very high	89.3	Confident	3 Å²	3	27.6 Å²	27.6	2%	0.016	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-101.8	157	175.2	-68	-59.8	0	0	0	113	R991 L1012 N1013 D1018 Y1020	R991-N996 PolarHBondContact NH1-O 3.32Å; N996-L1012 HydrophobicContact CB-CD2 4.14Å; N996-L1012 WeakPolarHBondContact OD1-CA 3.19Å; N996-L1012 WeakPolarHBondContact OD1-CB 3.48Å; N996-N1013 PolarHBondContact ND2-O 2.79Å; N996-N1013 PolarHBondContact OD1-N 3.02Å; N996-D1018 WeakPolarHBondContact CB-OD2 3.39Å; N996-D1018 PolarHBondContact N-OD2 2.91Å; N996-D1018 PolarHBondContact ND2-OD1 3.22Å; N996-D1018 PolarHBondContact ND2-OD2 3.14Å; N996-Y1020 HydrophobicContact CB-CD2 4.06Å; N996-Y1020 HydrophobicContact CB-CG 4.47Å; N996-Y1020 VanDerWaalsContact O-CD2 3.26Å; N996-Y1020 WeakPolarHBondContact O-CD2 3.13Å; N996-Y1020 WeakPolarHBondContact O-CE2 3.49Å
997	Y	95.3	Very high	89.3	Confident	3 Å²	3	23.9 Å²	23.9	1%	0.012	13%	0.131	C	C	.	.	P	Polyproline II helix	trans	-90.5	168.4	168.3	60.8	-90.5	0	0	0	111	E960 V985 P987 P999 L1002 V1010 A1011 L1012 Y1020	E960-Y997 HydrophobicContact CB-CD1 3.92Å; E960-Y997 HydrophobicContact CB-CE1 4.37Å; E960-Y997 HydrophobicContact CB-CG 3.99Å; E960-Y997 WeakPolarHBondContact OE2-CB 3.26Å; E960-Y997 WeakPolarHBondContact OE2-CD1 3.23Å; V985-Y997 HydrophobicContact CG1-CE2 4.18Å; V985-Y997 PolarHBondContact O-OH 3.09Å; P987-Y997 HydrophobicContact CB-CD1 4.1Å; P987-Y997 HydrophobicContact CB-CE1 4.25Å; P987-Y997 HydrophobicContact CG-CD1 4.02Å; P987-Y997 HydrophobicContact CG-CE1 3.78Å; Y997-P999 VanDerWaalsContact O-CD 3.28Å; Y997-P999 WeakPolarHBondContact O-CD 3.36Å; Y997-L1002 HydrophobicContact CD2-CD1 4.14Å; Y997-L1002 HydrophobicContact CE2-CD1 3.48Å; Y997-L1002 VanDerWaalsContact CE2-CD1 3.48Å; Y997-V1010 HydrophobicContact CE2-CG1 3.53Å; Y997-V1010 WeakPolarHBondContact OH-CG1 3.3Å; Y997-A1011 WeakPolarHBondContact CE1-O 3.43Å; Y997-A1011 PolarHBondContact OH-N 2.86Å; Y997-A1011 PolarHBondContact OH-O 3.1Å; Y997-L1012 HydrophobicContact CD1-CD2 4.43Å; Y997-L1012 HydrophobicContact CE1-CD2 4Å; Y997-L1012 HydrophobicContact CE2-CD2 4.21Å; Y997-Y1020 WeakPolarHBondContact O-CB 3.46Å; Y997-Y1020 WeakPolarHBondContact O-CD2 3.43Å; Y997-Y1020 VanDerWaalsContact O-CG 3.28Å
998	D	93.8	Very high	89.5	Confident	57 Å²	57	23.7 Å²	23.7	31%	0.305	13%	0.13	S	C	.	.			trans	-73.9	113.5	177.6	-174	-5.2	0	0	0	111.7	F1000 Y1020	D998-F1000 VanDerWaalsContact C-N 3.25Å; D998-F1000 PolarHBondContact O-N 3.21Å; D998-F1000 WeakPolarHBondContact OD1-CB 3.5Å; D998-F1000 PolarHBondContact OD1-N 3.2Å; D998-Y1020 VanDerWaalsContact CA-CE1 3.49Å; D998-Y1020 HydrophobicContact CB-CD1 4.13Å; D998-Y1020 HydrophobicContact CB-CE1 3.52Å
999	P	94.3	Very high	90	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.121	C	C	.	.			trans	-75.9	-14.2	-178.3	33.3	-37	0	0	0	113.2	Y997 R1001 L1002 W1003 V1010	Y997-P999 VanDerWaalsContact O-CD 3.28Å; Y997-P999 WeakPolarHBondContact O-CD 3.36Å; P999-R1001 PolarHBondContact O-N 3.25Å; P999-L1002 WeakPolarHBondContact O-CB 3.34Å; P999-L1002 PolarHBondContact O-N 2.93Å; P999-W1003 HydrophobicContact CB-CD2 4.06Å; P999-W1003 HydrophobicContact CB-CE3 4.12Å; P999-W1003 HydrophobicContact CB-CH2 3.74Å; P999-W1003 HydrophobicContact CB-CZ2 3.66Å; P999-W1003 HydrophobicContact CB-CZ3 3.98Å; P999-W1003 HydrophobicContact CG-CE3 4.12Å; P999-W1003 HydrophobicContact CG-CH2 3.44Å; P999-W1003 VanDerWaalsContact CG-CH2 3.44Å; P999-W1003 HydrophobicContact CG-CZ2 3.91Å; P999-W1003 HydrophobicContact CG-CZ3 3.57Å; P999-W1003 PolarHBondContact O-N 3.29Å; P999-W1003 VanDerWaalsContact O-N 3.09Å; P999-V1010 HydrophobicContact CB-CB 4.49Å; P999-V1010 HydrophobicContact CB-CG1 3.61Å
1000	F	90.2	Very high	91.1	Very high	9 Å²	9	18.6 Å²	18.6	4%	0.039	9%	0.089	C	C	.	.	H	α-helix	trans	-61.6	-50.7	-162.6	-169.5	-87.3	0	0	0	113.6	D998 L1002 W1003 L1004 G1091 A1092 L1129 F1131	D998-F1000 VanDerWaalsContact C-N 3.25Å; D998-F1000 PolarHBondContact O-N 3.21Å; D998-F1000 WeakPolarHBondContact OD1-CB 3.5Å; D998-F1000 PolarHBondContact OD1-N 3.2Å; F1000-L1002 PolarHBondContact O-N 3.03Å; F1000-W1003 PolarHBondContact O-N 3.36Å; F1000-W1003 VanDerWaalsContact O-N 3.14Å; F1000-L1004 HydrophobicContact CD1-CD1 3.91Å; F1000-L1004 HydrophobicContact CD1-CG 4.11Å; F1000-L1004 HydrophobicContact CE1-CD1 3.41Å; F1000-L1004 VanDerWaalsContact CE1-CD1 3.41Å; F1000-L1004 HydrophobicContact CE1-CD2 4.12Å; F1000-L1004 HydrophobicContact CE1-CG 3.55Å; F1000-L1004 HydrophobicContact CZ-CD1 4.42Å; F1000-L1004 HydrophobicContact CZ-CD2 4.4Å; F1000-L1004 HydrophobicContact CZ-CG 4.21Å; F1000-L1004 PolarHBondContact O-N 3.33Å; F1000-G1091 VanDerWaalsContact CD1-O 3.3Å; F1000-G1091 WeakPolarHBondContact CD1-O 3.44Å; F1000-G1091 VanDerWaalsContact CE1-O 3.23Å; F1000-G1091 WeakPolarHBondContact CE1-O 3.24Å; F1000-G1091 VanDerWaalsContact CE2-CA 3.41Å; F1000-A1092 HydrophobicContact CE1-CB 3.97Å; F1000-L1129 HydrophobicContact CE2-CD2 4.23Å; F1000-L1129 HydrophobicContact CE2-CG 3.81Å; F1000-L1129 WeakPolarHBondContact CE2-O 3.17Å; F1000-L1129 HydrophobicContact CZ-CD2 4.12Å; F1000-L1129 HydrophobicContact CZ-CG 3.98Å; F1000-L1129 WeakPolarHBondContact CZ-O 3.38Å; F1000-F1131 HydrophobicContact CD2-CE2 4.38Å; F1000-F1131 HydrophobicContact CE2-CD2 4.49Å; F1000-F1131 HydrophobicContact CE2-CE2 4.24Å
1001	R	88.4	Confident	92.2	Very high	84 Å²	84	15.5 Å²	15.5	32%	0.317	7%	0.074	S	C	.	.	H	α-helix	trans	-63.7	-28.7	-177.8	-54.1	-173.5	-164.4	-133.5	3	112.6	V967 P999 C1005 E1093	V967-R1001 HydrophobicContact CG1-CB 4.04Å; P999-R1001 PolarHBondContact O-N 3.25Å; R1001-C1005 PolarHBondContact O-N 3.43Å; R1001-C1005 PolarHBondContact O-SG 2.99Å; R1001-C1005 VanDerWaalsContact O-SG 3.33Å; R1001-E1093 IonicContact CZ-OE1 2.66Å; R1001-E1093 IonicContact NH1-OE1 2.7Å; R1001-E1093 PolarHBondContact NH1-OE1 3.14Å; R1001-E1093 IonicContact NH2-OE1 3.71Å; R1001-E1093 PolarHBondContact NH2-OE1 3.01Å
1002	L	94.3	Very high	92.9	Very high	8 Å²	8	13 Å²	13	4%	0.042	7%	0.065	C	C	.	.	H	α-helix	trans	-74.9	-40.6	178.4	-62.1	166.5	0	0	0	110.6	A963 V967 V985 Y997 P999 F1000 C1005 G1006 S1007 V1010	A963-L1002 HydrophobicContact CB-CD2 3.86Å; V967-L1002 HydrophobicContact CG2-CD2 3.82Å; V985-L1002 HydrophobicContact CB-CD1 3.95Å; V985-L1002 HydrophobicContact CG1-CD1 3.74Å; V985-L1002 HydrophobicContact CG2-CD1 4.01Å; V985-L1002 HydrophobicContact CG2-CD2 4.01Å; Y997-L1002 HydrophobicContact CD2-CD1 4.14Å; Y997-L1002 HydrophobicContact CE2-CD1 3.48Å; Y997-L1002 VanDerWaalsContact CE2-CD1 3.48Å; P999-L1002 WeakPolarHBondContact O-CB 3.34Å; P999-L1002 PolarHBondContact O-N 2.93Å; F1000-L1002 PolarHBondContact O-N 3.03Å; L1002-C1005 CarbonylContact O-C 3.51Å; L1002-C1005 PolarHBondContact O-N 3.25Å; L1002-G1006 PolarHBondContact O-N 3.43Å; L1002-S1007 WeakPolarHBondContact O-CB 2.81Å; L1002-S1007 PolarHBondContact O-N 3.1Å; L1002-S1007 PolarHBondContact O-OG 3.46Å; L1002-V1010 HydrophobicContact CB-CG2 3.86Å; L1002-V1010 HydrophobicContact CD1-CG1 3.88Å; L1002-V1010 HydrophobicContact CD1-CG2 4.43Å
1003	W	94.8	Very high	94	Very high	2 Å²	2	13 Å²	13	1%	0.008	6%	0.064	C	C	.	.	H	α-helix	trans	-62.4	-41.6	172.3	-69.3	-29.6	0	0	0	112	W322 P999 F1000 C1005 G1006 N1024 L1027 M1043 L1129 F1131	W322-W1003 AromaticContact CD1-CD1 3.52Å; W322-W1003 HydrophobicContact CZ2-CB 4.43Å; W322-W1003 AromaticContact NE1-CD1 3.89Å; W322-W1003 PolarHBondContact NE1-O 3.33Å; P999-W1003 HydrophobicContact CB-CD2 4.06Å; P999-W1003 HydrophobicContact CB-CE3 4.12Å; P999-W1003 HydrophobicContact CB-CH2 3.74Å; P999-W1003 HydrophobicContact CB-CZ2 3.66Å; P999-W1003 HydrophobicContact CB-CZ3 3.98Å; P999-W1003 HydrophobicContact CG-CE3 4.12Å; P999-W1003 HydrophobicContact CG-CH2 3.44Å; P999-W1003 VanDerWaalsContact CG-CH2 3.44Å; P999-W1003 HydrophobicContact CG-CZ2 3.91Å; P999-W1003 HydrophobicContact CG-CZ3 3.57Å; P999-W1003 PolarHBondContact O-N 3.29Å; P999-W1003 VanDerWaalsContact O-N 3.09Å; F1000-W1003 PolarHBondContact O-N 3.36Å; F1000-W1003 VanDerWaalsContact O-N 3.14Å; W1003-C1005 PolarHBondContact O-N 2.83Å; W1003-G1006 WeakPolarHBondContact O-CA 3.34Å; W1003-G1006 PolarHBondContact O-N 3.49Å; W1003-N1024 HydrophobicContact CH2-CB 4.42Å; W1003-L1027 HydrophobicContact CD2-CD2 3.83Å; W1003-L1027 HydrophobicContact CE3-CD2 4.01Å; W1003-L1027 HydrophobicContact CG-CD2 4.49Å; W1003-L1027 HydrophobicContact CH2-CB 4.43Å; W1003-L1027 HydrophobicContact CH2-CD2 3.89Å; W1003-L1027 HydrophobicContact CZ2-CD2 3.69Å; W1003-L1027 HydrophobicContact CZ3-CD2 4.04Å; W1003-M1043 WeakPolarHBondContact O-CE 3.16Å; W1003-L1129 HydrophobicContact CB-CD1 4.33Å; W1003-L1129 HydrophobicContact CB-CD2 3.72Å; W1003-L1129 HydrophobicContact CE3-CD1 4.38Å; W1003-F1131 HydrophobicContact CZ3-CE2 4.38Å; W1003-F1131 HydrophobicContact CZ3-CZ 4.27Å
1004	L	91.1	Very high	94.9	Very high	3 Å²	3	9.6 Å²	9.6	2%	0.016	5%	0.046	C	C	.	.	H	α-helix	trans	-57.7	-36.1	172.9	-81.6	178.9	0	0	0	113	F1000 G1006 P1050 A1092 L1129	F1000-L1004 HydrophobicContact CD1-CD1 3.91Å; F1000-L1004 HydrophobicContact CD1-CG 4.11Å; F1000-L1004 HydrophobicContact CE1-CD1 3.41Å; F1000-L1004 VanDerWaalsContact CE1-CD1 3.41Å; F1000-L1004 HydrophobicContact CE1-CD2 4.12Å; F1000-L1004 HydrophobicContact CE1-CG 3.55Å; F1000-L1004 HydrophobicContact CZ-CD1 4.42Å; F1000-L1004 HydrophobicContact CZ-CD2 4.4Å; F1000-L1004 HydrophobicContact CZ-CG 4.21Å; F1000-L1004 PolarHBondContact O-N 3.33Å; L1004-G1006 PolarHBondContact O-N 3.08Å; L1004-P1050 HydrophobicContact CB-CB 4.41Å; L1004-P1050 WeakPolarHBondContact O-CB 3.41Å; L1004-A1092 HydrophobicContact CD1-CB 4.18Å; L1004-L1129 HydrophobicContact CD2-CD2 3.86Å; L1004-L1129 HydrophobicContact CG-CD2 3.98Å
1005	C	93.2	Very high	95.1	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	14.3	175.7	-60.7	0	0	0	0	112.9	L974 L975 N978 R1001 L1002 W1003 S1007	L974-C1005 HydrophobicContact CD2-CB 3.84Å; L974-C1005 HydrophobicContact CG-CB 4.15Å; L975-C1005 WeakPolarHBondContact CA-O 3.29Å; N978-C1005 PolarHBondContact ND2-O 2.93Å; R1001-C1005 PolarHBondContact O-N 3.43Å; R1001-C1005 PolarHBondContact O-SG 2.99Å; R1001-C1005 VanDerWaalsContact O-SG 3.33Å; L1002-C1005 CarbonylContact O-C 3.51Å; L1002-C1005 PolarHBondContact O-N 3.25Å; W1003-C1005 PolarHBondContact O-N 2.83Å; C1005-S1007 VanDerWaalsContact C-N 3.29Å; C1005-S1007 PolarHBondContact O-N 3.17Å
1006	G	93.7	Very high	95.3	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	10.6	176.6	0	0	0	0	0	115.4	N978 L1002 W1003 L1004 Q1008 Q1039	N978-G1006 WeakPolarHBondContact CB-O 3.4Å; L1002-G1006 PolarHBondContact O-N 3.43Å; W1003-G1006 WeakPolarHBondContact O-CA 3.34Å; W1003-G1006 PolarHBondContact O-N 3.49Å; L1004-G1006 PolarHBondContact O-N 3.08Å; G1006-Q1008 PolarHBondContact O-N 3.43Å; G1006-Q1039 PolarHBondContact O-NE2 2.67Å
1007	S	96.6	Very high	95.3	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.061	C	C	.	.			trans	-64.7	125.7	-179.2	-56.5	0	0	0	0	110.3	N978 L1002 C1005	N978-S1007 WeakPolarHBondContact ND2-CA 3.34Å; N978-S1007 PolarHBondContact ND2-N 3.19Å; N978-S1007 PolarHBondContact ND2-OG 3.02Å; L1002-S1007 WeakPolarHBondContact O-CB 2.81Å; L1002-S1007 PolarHBondContact O-N 3.1Å; L1002-S1007 PolarHBondContact O-OG 3.46Å; C1005-S1007 VanDerWaalsContact C-N 3.29Å; C1005-S1007 PolarHBondContact O-N 3.17Å
1008	Q	97.8	Very high	95.3	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.069	C	C	.	.	S	Bend	trans	-85.4	-43.7	-167.9	-55.8	87.2	-8.8	0	0	112.3	S319 Y321 I323 N978 G981 L982 G1006	S319-Q1008 WeakPolarHBondContact O-CG 3.4Å; S319-Q1008 PolarHBondContact O-NE2 3.17Å; Y321-Q1008 WeakPolarHBondContact O-CB 3.13Å; Y321-Q1008 WeakPolarHBondContact O-CG 3.24Å; I323-Q1008 HydrophobicContact CD1-CB 4.15Å; I323-Q1008 HydrophobicContact CG1-CB 4.2Å; I323-Q1008 PolarHBondContact N-O 2.73Å; N978-Q1008 PolarHBondContact O-NE2 3.48Å; G981-Q1008 PolarHBondContact O-NE2 3.39Å; L982-Q1008 HydrophobicContact CD2-CB 4.21Å; L982-Q1008 HydrophobicContact CD2-CG 3.88Å; G1006-Q1008 PolarHBondContact O-N 3.43Å
1009	M	97.8	Very high	95.3	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	69.7	-170.1	-63	164.9	73.8	0	0	111.1	I323 S325 C355 I402 I955 T983 R984 V985 A1011	I323-M1009 HydrophobicContact CB-CG 4.22Å; I323-M1009 HydrophobicContact CD1-CG 4.22Å; S325-M1009 VanDerWaalsContact OG-CA 3.28Å; S325-M1009 WeakPolarHBondContact OG-CA 3.41Å; S325-M1009 WeakPolarHBondContact OG-CB 3.45Å; C355-M1009 HydrophobicContact CB-CE 3.62Å; C355-M1009 WeakPolarHBondContact SG-CE 3.19Å; I402-M1009 HydrophobicContact CB-CE 4.21Å; I402-M1009 HydrophobicContact CD1-CE 3.89Å; I402-M1009 HydrophobicContact CD1-SD 3.93Å; I402-M1009 HydrophobicContact CG2-CE 3.82Å; I955-M1009 HydrophobicContact CD1-CE 4.19Å; I955-M1009 HydrophobicContact CD1-SD 3.57Å; I955-M1009 VanDerWaalsContact CD1-SD 3.57Å; T983-M1009 PolarHBondContact O-N 3.13Å; R984-M1009 CarbonylContact C-O 3.45Å; R984-M1009 VanDerWaalsContact CA-O 3.24Å; R984-M1009 WeakPolarHBondContact CA-O 3.16Å; R984-M1009 HydrophobicContact CB-CB 4.01Å; R984-M1009 HydrophobicContact CG-CB 4.08Å; R984-M1009 WeakPolarHBondContact CG-O 3.41Å; V985-M1009 PolarHBondContact N-O 2.69Å; M1009-A1011 PolarHBondContact O-N 2.72Å
1010	V	98.1	Very high	95.4	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.012	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	93.1	176.7	-172.2	0	0	0	0	108.1	Y997 P999 L1002	Y997-V1010 HydrophobicContact CE2-CG1 3.53Å; Y997-V1010 WeakPolarHBondContact OH-CG1 3.3Å; P999-V1010 HydrophobicContact CB-CB 4.49Å; P999-V1010 HydrophobicContact CB-CG1 3.61Å; L1002-V1010 HydrophobicContact CB-CG2 3.86Å; L1002-V1010 HydrophobicContact CD1-CG1 3.88Å; L1002-V1010 HydrophobicContact CD1-CG2 4.43Å
1011	A	98.4	Very high	95.8	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	126.7	-169.7	0	0	0	0	0	112.1	S325 H327 V985 P987 Y997 M1009	S325-A1011 WeakPolarHBondContact O-CA 3.24Å; H327-A1011 HydrophobicContact CB-CB 4.04Å; V985-A1011 WeakPolarHBondContact O-CA 3.24Å; V985-A1011 VanDerWaalsContact O-CB 3.23Å; V985-A1011 WeakPolarHBondContact O-CB 3.44Å; V985-A1011 PolarHBondContact O-N 3.2Å; P987-A1011 WeakPolarHBondContact CD-O 3.46Å; Y997-A1011 WeakPolarHBondContact CE1-O 3.43Å; Y997-A1011 PolarHBondContact OH-N 2.86Å; Y997-A1011 PolarHBondContact OH-O 3.1Å; M1009-A1011 PolarHBondContact O-N 2.72Å
1012	L	98.5	Very high	96.2	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	158	-177.2	-57	-179	0	0	0	111.5	S325 S326 H327 N996 Y997 F1014 M1021 N1024	S325-L1012 PolarHBondContact O-N 2.87Å; S326-L1012 WeakPolarHBondContact CA-O 3.48Å; H327-L1012 PolarHBondContact N-O 3.39Å; N996-L1012 HydrophobicContact CB-CD2 4.14Å; N996-L1012 WeakPolarHBondContact OD1-CA 3.19Å; N996-L1012 WeakPolarHBondContact OD1-CB 3.48Å; Y997-L1012 HydrophobicContact CD1-CD2 4.43Å; Y997-L1012 HydrophobicContact CE1-CD2 4Å; Y997-L1012 HydrophobicContact CE2-CD2 4.21Å; L1012-F1014 WeakPolarHBondContact O-CD2 3.32Å; L1012-F1014 PolarHBondContact O-N 2.91Å; L1012-M1021 HydrophobicContact CB-CE 3.27Å; L1012-M1021 HydrophobicContact CD1-CE 3.93Å; L1012-M1021 HydrophobicContact CG-CE 4.26Å; L1012-N1024 HydrophobicContact CD1-CB 3.79Å
1013	N	98.3	Very high	96.4	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.005	7%	0.067	C	C	.	.			trans	-78.1	97.7	172.8	-63	-47.9	0	0	0	109.9	H327 Q335 S994 S995 N996 Q1015 T1016 M1021	H327-N1013 PolarHBondContact ND1-OD1 2.75Å; Q335-N1013 PolarHBondContact NE2-OD1 3.23Å; S994-N1013 VanDerWaalsContact O-CB 3.29Å; S994-N1013 WeakPolarHBondContact O-CB 3.27Å; S994-N1013 PolarHBondContact O-ND2 2.95Å; S994-N1013 VanDerWaalsContact O-ND2 3.08Å; S995-N1013 PolarHBondContact O-ND2 2.95Å; N996-N1013 PolarHBondContact ND2-O 2.79Å; N996-N1013 PolarHBondContact OD1-N 3.02Å; N1013-Q1015 VanDerWaalsContact C-OE1 3.25Å; N1013-Q1015 PolarHBondContact O-N 2.71Å; N1013-T1016 PolarHBondContact O-N 2.71Å; N1013-M1021 VanDerWaalsContact O-CE 3.24Å; N1013-M1021 WeakPolarHBondContact O-CE 3.45Å
1014	F	98.2	Very high	96.5	Very high	2 Å²	2	13.4 Å²	13.4	1%	0.009	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-22.4	-173.9	-91	-127.1	0	0	0	114.1	F104 S325 C348 M351 C353 L1012 T1016 M1021	F104-F1014 HydrophobicContact CD2-CB 4.49Å; F104-F1014 WeakPolarHBondContact CD2-O 3.46Å; F104-F1014 HydrophobicContact CE2-CB 3.84Å; F104-F1014 HydrophobicContact CZ-CB 4.36Å; S325-F1014 WeakPolarHBondContact O-CE2 3.44Å; C348-F1014 HydrophobicContact CB-CD1 4.32Å; M351-F1014 HydrophobicContact CB-CE1 4.5Å; M351-F1014 HydrophobicContact SD-CD1 4.3Å; C353-F1014 HydrophobicContact CB-CE1 3.74Å; C353-F1014 HydrophobicContact CB-CZ 3.82Å; L1012-F1014 WeakPolarHBondContact O-CD2 3.32Å; L1012-F1014 PolarHBondContact O-N 2.91Å; F1014-T1016 PolarHBondContact O-N 2.8Å; F1014-M1021 HydrophobicContact CD1-SD 4.49Å; F1014-M1021 HydrophobicContact CD2-CE 3.88Å; F1014-M1021 HydrophobicContact CD2-SD 3.9Å; F1014-M1021 HydrophobicContact CE2-CE 4.37Å; F1014-M1021 HydrophobicContact CE2-SD 4.13Å; F1014-M1021 HydrophobicContact CG-CE 4.41Å; F1014-M1021 HydrophobicContact CG-SD 4.09Å
1015	Q	96.3	Very high	96.8	Very high	10 Å²	10	14.9 Å²	14.9	5%	0.047	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-8.1	176.8	73.3	-83.9	28.5	0	0	113.6	F104 G333 S994 N1013 Y1171	F104-Q1015 HydrophobicContact CD1-CB 3.57Å; F104-Q1015 HydrophobicContact CE1-CB 3.81Å; F104-Q1015 HydrophobicContact CG-CB 4.08Å; F104-Q1015 HydrophobicContact CZ-CB 4.49Å; G333-Q1015 WeakPolarHBondContact O-CG 3.39Å; G333-Q1015 PolarHBondContact O-NE2 3.4Å; S994-Q1015 PolarHBondContact OG-NE2 3.24Å; N1013-Q1015 VanDerWaalsContact C-OE1 3.25Å; N1013-Q1015 PolarHBondContact O-N 2.71Å; Q1015-Y1171 WeakPolarHBondContact O-CE1 3.46Å
1016	T	96.3	Very high	96.9	Very high	23 Å²	23	15.1 Å²	15.1	14%	0.141	8%	0.075	C	C	.	.			trans	-104.5	117.6	-174.4	-55.9	0	0	0	0	111.4	S994 N1013 F1014 D1018 M1021	S994-T1016 WeakPolarHBondContact O-CB 3.21Å; S994-T1016 PolarHBondContact O-OG1 3.22Å; N1013-T1016 PolarHBondContact O-N 2.71Å; F1014-T1016 PolarHBondContact O-N 2.8Å; T1016-D1018 HydrophobicContact CG2-CB 4.14Å; T1016-D1018 PolarHBondContact O-N 2.77Å; T1016-M1021 WeakPolarHBondContact O-CB 3.42Å
1017	P	95.7	Very high	97	Very high	52 Å²	52	15.3 Å²	15.3	34%	0.338	8%	0.076	S	C	.	.			trans	-82.6	54.4	-177.6	34.4	-36.5	0	0	0	113.1	Q1022 G1170 Y1171	P1017-Q1022 PolarHBondContact O-NE2 3.03Å; P1017-G1170 WeakPolarHBondContact CA-O 3.26Å; P1017-G1170 WeakPolarHBondContact CB-O 3.4Å; P1017-Y1171 HydrophobicContact CB-CD1 3.83Å; P1017-Y1171 HydrophobicContact CB-CD2 4.01Å; P1017-Y1171 HydrophobicContact CB-CE1 3.82Å; P1017-Y1171 HydrophobicContact CB-CE2 4.01Å; P1017-Y1171 HydrophobicContact CB-CG 3.92Å; P1017-Y1171 HydrophobicContact CG-CD1 4.41Å; P1017-Y1171 HydrophobicContact CG-CD2 4.45Å; P1017-Y1171 HydrophobicContact CG-CE1 3.9Å; P1017-Y1171 HydrophobicContact CG-CE2 3.94Å
1018	D	94.7	Very high	97	Very high	30 Å²	30	16 Å²	16	16%	0.16	8%	0.079	C	C	.	.	S	Bend	trans	-96.8	173.1	-178.8	65.4	24.9	0	0	0	113.8	N996 T1016 Y1020 M1021 Q1022	N996-D1018 WeakPolarHBondContact CB-OD2 3.39Å; N996-D1018 PolarHBondContact N-OD2 2.91Å; N996-D1018 PolarHBondContact ND2-OD1 3.22Å; N996-D1018 PolarHBondContact ND2-OD2 3.14Å; T1016-D1018 HydrophobicContact CG2-CB 4.14Å; T1016-D1018 PolarHBondContact O-N 2.77Å; D1018-Y1020 PolarHBondContact O-N 2.93Å; D1018-Y1020 PolarHBondContact OD1-N 2.63Å; D1018-M1021 PolarHBondContact O-N 2.6Å; D1018-M1021 PolarHBondContact OD1-N 3.41Å; D1018-Q1022 WeakPolarHBondContact O-CG 3.47Å; D1018-Q1022 PolarHBondContact O-N 3.19Å; D1018-Q1022 VanDerWaalsContact O-N 3.09Å
1019	K	95.8	Very high	96.9	Very high	72 Å²	72	16.7 Å²	16.7	31%	0.313	8%	0.084	S	C	.	.	H	α-helix	trans	-53.1	-39	179.6	171.9	170.1	174.9	163.9	0	112.2	Q1022 L1023 E1088 C1090	K1019-Q1022 WeakPolarHBondContact O-CB 3.4Å; K1019-Q1022 PolarHBondContact O-N 3.39Å; K1019-L1023 HydrophobicContact CG-CD1 4.35Å; K1019-L1023 WeakPolarHBondContact O-CG 3.35Å; K1019-L1023 PolarHBondContact O-N 3.39Å; K1019-E1088 VanDerWaalsContact CE-OE1 3.31Å; K1019-E1088 WeakPolarHBondContact CE-OE1 3.43Å; K1019-E1088 IonicContact NZ-OE1 2.6Å; K1019-E1088 PolarHBondContact NZ-OE1 2.77Å; K1019-E1088 IonicContact NZ-OE2 3.63Å; K1019-E1088 PolarHBondContact NZ-OE2 2.81Å; K1019-C1090 VanDerWaalsContact CE-SG 3.57Å
1020	Y	96.4	Very high	96.6	Very high	71 Å²	71	17.6 Å²	17.6	28%	0.278	9%	0.089	S	C	.	.	H	α-helix	trans	-76.3	-36.9	-173.3	-55.2	-56.3	0	0	0	112	N996 Y997 D998 D1018 Q1022 L1023 N1024	N996-Y1020 HydrophobicContact CB-CD2 4.06Å; N996-Y1020 HydrophobicContact CB-CG 4.47Å; N996-Y1020 VanDerWaalsContact O-CD2 3.26Å; N996-Y1020 WeakPolarHBondContact O-CD2 3.13Å; N996-Y1020 WeakPolarHBondContact O-CE2 3.49Å; Y997-Y1020 WeakPolarHBondContact O-CB 3.46Å; Y997-Y1020 WeakPolarHBondContact O-CD2 3.43Å; Y997-Y1020 VanDerWaalsContact O-CG 3.28Å; D998-Y1020 VanDerWaalsContact CA-CE1 3.49Å; D998-Y1020 HydrophobicContact CB-CD1 4.13Å; D998-Y1020 HydrophobicContact CB-CE1 3.52Å; D1018-Y1020 PolarHBondContact O-N 2.93Å; D1018-Y1020 PolarHBondContact OD1-N 2.63Å; Y1020-Q1022 VanDerWaalsContact C-N 3.3Å; Y1020-Q1022 PolarHBondContact O-N 3.16Å; Y1020-L1023 HydrophobicContact CD1-CD1 4.36Å; Y1020-L1023 PolarHBondContact O-N 3.28Å; Y1020-N1024 WeakPolarHBondContact O-CB 3.31Å; Y1020-N1024 PolarHBondContact O-N 3.07Å
1021	M	97.7	Very high	96.3	Very high	4 Å²	4	18.3 Å²	18.3	2%	0.02	9%	0.093	C	C	.	.	H	α-helix	trans	-63.8	-37.6	169.7	-166	52.9	50.8	0	0	112	L1012 N1013 F1014 T1016 D1018 L1023 N1024 H1025	L1012-M1021 HydrophobicContact CB-CE 3.27Å; L1012-M1021 HydrophobicContact CD1-CE 3.93Å; L1012-M1021 HydrophobicContact CG-CE 4.26Å; N1013-M1021 VanDerWaalsContact O-CE 3.24Å; N1013-M1021 WeakPolarHBondContact O-CE 3.45Å; F1014-M1021 HydrophobicContact CD1-SD 4.49Å; F1014-M1021 HydrophobicContact CD2-CE 3.88Å; F1014-M1021 HydrophobicContact CD2-SD 3.9Å; F1014-M1021 HydrophobicContact CE2-CE 4.37Å; F1014-M1021 HydrophobicContact CE2-SD 4.13Å; F1014-M1021 HydrophobicContact CG-CE 4.41Å; F1014-M1021 HydrophobicContact CG-SD 4.09Å; T1016-M1021 WeakPolarHBondContact O-CB 3.42Å; D1018-M1021 PolarHBondContact O-N 2.6Å; D1018-M1021 PolarHBondContact OD1-N 3.41Å; M1021-L1023 PolarHBondContact O-N 3.34Å; M1021-N1024 WeakPolarHBondContact O-CB 3.36Å; M1021-N1024 PolarHBondContact O-N 2.91Å; M1021-N1024 HydrophobicContact SD-CB 4.36Å; M1021-H1025 PolarHBondContact O-CD2 3.31Å; M1021-H1025 PolarHBondContact O-N 2.94Å
1022	Q	97.8	Very high	95.8	Very high	7 Å²	7	19.2 Å²	19.2	3%	0.033	10%	0.102	C	C	.	.	H	α-helix	trans	-66.1	-36.3	176.3	-65.4	163.1	7.5	0	0	112.2	P1017 D1018 K1019 Y1020 A1026 H1150 G1170	P1017-Q1022 PolarHBondContact O-NE2 3.03Å; D1018-Q1022 WeakPolarHBondContact O-CG 3.47Å; D1018-Q1022 PolarHBondContact O-N 3.19Å; D1018-Q1022 VanDerWaalsContact O-N 3.09Å; K1019-Q1022 WeakPolarHBondContact O-CB 3.4Å; K1019-Q1022 PolarHBondContact O-N 3.39Å; Y1020-Q1022 VanDerWaalsContact C-N 3.3Å; Y1020-Q1022 PolarHBondContact O-N 3.16Å; Q1022-A1026 WeakPolarHBondContact O-CB 3.21Å; Q1022-A1026 PolarHBondContact O-N 2.84Å; Q1022-H1150 VanDerWaalsContact CG-CE1 3.43Å; Q1022-H1150 WeakPolarHBondContact CG-CE1 3.37Å; Q1022-H1150 WeakPolarHBondContact CG-NE2 3.47Å; Q1022-G1170 PolarHBondContact NE2-O 2.85Å
1023	L	96.8	Very high	95.5	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.021	13%	0.127	C	C	.	.	H	α-helix	trans	-67.3	-41.1	171.4	-70.7	171.2	0	0	0	111.8	K1019 Y1020 M1021 A1026 L1027 C1090 F1131 T1152	K1019-L1023 HydrophobicContact CG-CD1 4.35Å; K1019-L1023 WeakPolarHBondContact O-CG 3.35Å; K1019-L1023 PolarHBondContact O-N 3.39Å; Y1020-L1023 HydrophobicContact CD1-CD1 4.36Å; Y1020-L1023 PolarHBondContact O-N 3.28Å; M1021-L1023 PolarHBondContact O-N 3.34Å; L1023-A1026 WeakPolarHBondContact O-CB 3.26Å; L1023-A1026 PolarHBondContact O-N 3.45Å; L1023-A1026 VanDerWaalsContact O-N 3.17Å; L1023-L1027 PolarHBondContact O-N 3.07Å; L1023-C1090 HydrophobicContact CD1-CB 4.44Å; L1023-C1090 HydrophobicContact CD2-CB 3.81Å; L1023-F1131 HydrophobicContact CD2-CB 3.97Å; L1023-F1131 HydrophobicContact CD2-CD1 4.39Å; L1023-F1131 HydrophobicContact CD2-CD2 3.94Å; L1023-F1131 HydrophobicContact CD2-CG 3.84Å; L1023-T1152 HydrophobicContact CD2-CG2 3.78Å
1024	N	97.6	Very high	95.3	Very high	1 Å²	1	26 Å²	26	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-58.8	-47.7	174.4	177.9	76.7	0	0	0	111.2	W1003 L1012 Y1020 M1021 A1026 L1027 F1028	W1003-N1024 HydrophobicContact CH2-CB 4.42Å; L1012-N1024 HydrophobicContact CD1-CB 3.79Å; Y1020-N1024 WeakPolarHBondContact O-CB 3.31Å; Y1020-N1024 PolarHBondContact O-N 3.07Å; M1021-N1024 WeakPolarHBondContact O-CB 3.36Å; M1021-N1024 PolarHBondContact O-N 2.91Å; M1021-N1024 HydrophobicContact SD-CB 4.36Å; N1024-A1026 VanDerWaalsContact C-N 3.3Å; N1024-A1026 PolarHBondContact O-N 3.1Å; N1024-L1027 PolarHBondContact O-N 3.29Å; N1024-F1028 WeakPolarHBondContact O-CD2 3.49Å; N1024-F1028 PolarHBondContact O-N 3.25Å; N1024-F1028 WeakPolarHBondContact OD1-CD2 3.19Å; N1024-F1028 WeakPolarHBondContact OD1-CE2 3.37Å
1025	H	96.8	Very high	95.3	Very high	33 Å²	33	25.9 Å²	25.9	15%	0.153	13%	0.128	C	C	.	.	H	α-helix	trans	-61.2	-36.6	174.1	-71.1	-44.9	0	0	0	113.3	M351 M1021 S1029	M351-H1025 WeakPolarHBondContact CE-CE1 3.24Å; M351-H1025 WeakPolarHBondContact CE-NE2 3.3Å; M1021-H1025 PolarHBondContact O-CD2 3.31Å; M1021-H1025 PolarHBondContact O-N 2.94Å; H1025-S1029 WeakPolarHBondContact O-CB 3.44Å; H1025-S1029 PolarHBondContact O-N 2.76Å
1026	A	96.3	Very high	95.3	Very high	5 Å²	5	25.4 Å²	25.4	4%	0.041	13%	0.126	C	C	.	.	H	α-helix	trans	-66.7	-47.6	176.4	0	0	0	0	0	111.8	Q1022 L1023 N1024 F1028 S1029 F1131 T1152 P1154	Q1022-A1026 WeakPolarHBondContact O-CB 3.21Å; Q1022-A1026 PolarHBondContact O-N 2.84Å; L1023-A1026 WeakPolarHBondContact O-CB 3.26Å; L1023-A1026 PolarHBondContact O-N 3.45Å; L1023-A1026 VanDerWaalsContact O-N 3.17Å; N1024-A1026 VanDerWaalsContact C-N 3.3Å; N1024-A1026 PolarHBondContact O-N 3.1Å; A1026-F1028 PolarHBondContact O-N 2.89Å; A1026-S1029 WeakPolarHBondContact O-CB 3.4Å; A1026-S1029 PolarHBondContact O-N 3.38Å; A1026-S1029 VanDerWaalsContact O-N 3.17Å; A1026-S1029 PolarHBondContact O-OG 3.2Å; A1026-F1131 HydrophobicContact CB-CD1 3.95Å; A1026-F1131 HydrophobicContact CB-CE1 4.16Å; A1026-T1152 HydrophobicContact CB-CG2 3.68Å; A1026-T1152 WeakPolarHBondContact CB-O 3.29Å; A1026-P1154 WeakPolarHBondContact O-CD 3.44Å; A1026-P1154 WeakPolarHBondContact O-CG 3.03Å
1027	L	96.3	Very high	95.3	Very high	4 Å²	4	24.8 Å²	24.8	2%	0.021	12%	0.122	C	C	.	.	H	α-helix	trans	-58.5	-50.8	177.7	179.8	59.5	0	0	0	111	W322 W1003 L1023 N1024 S1029 L1030 V1037 L1129 F1131	W322-L1027 HydrophobicContact CB-CD2 4.29Å; W322-L1027 HydrophobicContact CD2-CD2 4.38Å; W322-L1027 HydrophobicContact CE3-CD1 3.98Å; W322-L1027 HydrophobicContact CE3-CD2 4.28Å; W322-L1027 HydrophobicContact CG-CD2 4.43Å; W322-L1027 HydrophobicContact CZ3-CD1 4.13Å; W1003-L1027 HydrophobicContact CD2-CD2 3.83Å; W1003-L1027 HydrophobicContact CE3-CD2 4.01Å; W1003-L1027 HydrophobicContact CG-CD2 4.49Å; W1003-L1027 HydrophobicContact CH2-CB 4.43Å; W1003-L1027 HydrophobicContact CH2-CD2 3.89Å; W1003-L1027 HydrophobicContact CZ2-CD2 3.69Å; W1003-L1027 HydrophobicContact CZ3-CD2 4.04Å; L1023-L1027 PolarHBondContact O-N 3.07Å; N1024-L1027 PolarHBondContact O-N 3.29Å; L1027-S1029 PolarHBondContact O-N 2.85Å; L1027-L1030 HydrophobicContact CD1-CD1 4.39Å; L1027-L1030 WeakPolarHBondContact O-CB 3.31Å; L1027-L1030 WeakPolarHBondContact O-CG 3.24Å; L1027-L1030 PolarHBondContact O-N 2.89Å; L1027-V1037 HydrophobicContact CD1-CG1 4.27Å; L1027-L1129 HydrophobicContact CD1-CD1 4.39Å; L1027-F1131 HydrophobicContact CB-CE1 3.9Å; L1027-F1131 HydrophobicContact CB-CZ 3.89Å; L1027-F1131 HydrophobicContact CD1-CE1 4.46Å; L1027-F1131 HydrophobicContact CD1-CZ 4.14Å; L1027-F1131 HydrophobicContact CG-CZ 4.48Å
1028	F	96.6	Very high	95.3	Very high	14 Å²	14	23.7 Å²	23.7	6%	0.061	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	7.9	-179.2	-65.5	-69.1	0	0	0	113.8	W322 S324 N1024 A1026 L1030 R1033 G1035 V1037	W322-F1028 HydrophobicContact CB-CE1 4.38Å; W322-F1028 HydrophobicContact CB-CZ 4.1Å; W322-F1028 WeakPolarHBondContact O-CE1 3.27Å; S324-F1028 VanDerWaalsContact CA-CZ 3.44Å; S324-F1028 VanDerWaalsContact N-CE1 3.3Å; N1024-F1028 WeakPolarHBondContact O-CD2 3.49Å; N1024-F1028 PolarHBondContact O-N 3.25Å; N1024-F1028 WeakPolarHBondContact OD1-CD2 3.19Å; N1024-F1028 WeakPolarHBondContact OD1-CE2 3.37Å; A1026-F1028 PolarHBondContact O-N 2.89Å; F1028-L1030 VanDerWaalsContact C-N 3.26Å; F1028-R1033 VanDerWaalsContact O-CA 3.32Å; F1028-R1033 WeakPolarHBondContact O-CA 3.47Å; F1028-G1035 VanDerWaalsContact CE1-O 3.29Å; F1028-G1035 WeakPolarHBondContact CE1-O 3.39Å; F1028-V1037 HydrophobicContact CD1-CG2 3.83Å; F1028-V1037 HydrophobicContact CE1-CG2 4.13Å
1029	S	94.1	Very high	95.3	Very high	16 Å²	16	22.4 Å²	22.4	11%	0.112	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-22.7	164.6	73.7	0	0	0	0	112.1	W302 H1025 A1026 L1027	W302-S1029 WeakPolarHBondContact CH2-OG 3.27Å; H1025-S1029 WeakPolarHBondContact O-CB 3.44Å; H1025-S1029 PolarHBondContact O-N 2.76Å; A1026-S1029 WeakPolarHBondContact O-CB 3.4Å; A1026-S1029 PolarHBondContact O-N 3.38Å; A1026-S1029 VanDerWaalsContact O-N 3.17Å; A1026-S1029 PolarHBondContact O-OG 3.2Å; L1027-S1029 PolarHBondContact O-N 2.85Å
1030	L	92.4	Very high	95.1	Very high	19 Å²	19	19.5 Å²	19.5	10%	0.099	9%	0.094	C	C	.	.	S	Bend	trans	-66.8	157.5	173.6	-64.7	167.3	0	0	0	111.3	W302 Y306 L1027 F1028 G1032 R1033 V1037 P1154	W302-L1030 HydrophobicContact CH2-CD2 3.72Å; W302-L1030 HydrophobicContact CH2-CG 4.35Å; Y306-L1030 HydrophobicContact CD1-CD2 3.78Å; Y306-L1030 HydrophobicContact CE1-CD2 4.38Å; Y306-L1030 HydrophobicContact CG-CD2 3.89Å; L1027-L1030 HydrophobicContact CD1-CD1 4.39Å; L1027-L1030 WeakPolarHBondContact O-CB 3.31Å; L1027-L1030 WeakPolarHBondContact O-CG 3.24Å; L1027-L1030 PolarHBondContact O-N 2.89Å; F1028-L1030 VanDerWaalsContact C-N 3.26Å; L1030-G1032 VanDerWaalsContact C-N 3.3Å; L1030-G1032 PolarHBondContact O-N 3.37Å; L1030-R1033 PolarHBondContact O-N 3.22Å; L1030-V1037 HydrophobicContact CB-CG1 4.49Å; L1030-V1037 HydrophobicContact CB-CG2 4.12Å; L1030-V1037 HydrophobicContact CD1-CG1 4.11Å; L1030-P1154 HydrophobicContact CD1-CB 4.04Å; L1030-P1154 HydrophobicContact CD1-CG 3.93Å; L1030-P1154 HydrophobicContact CD2-CB 4.41Å; L1030-P1154 HydrophobicContact CD2-CG 4.31Å; L1030-P1154 HydrophobicContact CG-CB 4.38Å; L1030-P1154 HydrophobicContact CG-CG 3.94Å
1031	N	91.4	Very high	94.5	Very high	16 Å²	16	21.5 Å²	21.5	9%	0.086	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	55.5	45	172.9	-168.6	36.8	0	0	0	112.4	Y306 I309 D310 M314 R1033 T1034 Y1036	Y306-N1031 PolarHBondContact O-N 2.81Å; Y306-N1031 VanDerWaalsContact O-N 3.13Å; I309-N1031 WeakPolarHBondContact CA-OD1 3.45Å; D310-N1031 PolarHBondContact N-OD1 3.18Å; M314-N1031 PolarHBondContact SD-ND2 2.96Å; N1031-R1033 VanDerWaalsContact C-N 3.31Å; N1031-R1033 PolarHBondContact O-N 2.84Å; N1031-T1034 PolarHBondContact ND2-OG1 2.89Å; N1031-T1034 WeakPolarHBondContact O-CG2 3.32Å; N1031-T1034 PolarHBondContact O-N 2.9Å; N1031-T1034 PolarHBondContact O-OG1 3.28Å; N1031-Y1036 PolarHBondContact ND2-O 3.49Å
1032	G	87.8	Confident	93.9	Very high	20 Å²	20	23.3 Å²	23.3	21%	0.206	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	60.5	31.2	174.9	0	0	0	0	0	115.7	Y306 E307 L1030 T1034	Y306-G1032 PolarHBondContact O-N 3.49Å; E307-G1032 WeakPolarHBondContact O-CA 3.44Å; L1030-G1032 VanDerWaalsContact C-N 3.3Å; L1030-G1032 PolarHBondContact O-N 3.37Å; G1032-T1034 PolarHBondContact O-N 2.91Å; G1032-T1034 VanDerWaalsContact O-N 3.16Å
1033	R	92.6	Very high	93.3	Very high	139 Å²	139	23 Å²	23	53%	0.525	12%	0.118	S	C	.	.	G	3₁₀ helix	trans	57.3	29.6	178.1	-56	-179.3	-172.9	-178.4	4.6	114.4	F1028 L1030 N1031 G1035	F1028-R1033 VanDerWaalsContact O-CA 3.32Å; F1028-R1033 WeakPolarHBondContact O-CA 3.47Å; L1030-R1033 PolarHBondContact O-N 3.22Å; N1031-R1033 VanDerWaalsContact C-N 3.31Å; N1031-R1033 PolarHBondContact O-N 2.84Å; R1033-G1035 PolarHBondContact O-N 2.66Å; R1033-G1035 VanDerWaalsContact O-N 3.17Å
1034	T	95.1	Very high	92.7	Very high	3 Å²	3	25.6 Å²	25.6	2%	0.018	13%	0.128	C	C	.	.			trans	-66.5	-15.9	179.8	52	0	0	0	0	113.8	I309 R354 S397 Y399 N1031 G1032 Y1036	I309-T1034 HydrophobicContact CD1-CG2 3.55Å; I309-T1034 HydrophobicContact CG1-CG2 3.65Å; I309-T1034 HydrophobicContact CG2-CG2 4.33Å; R354-T1034 WeakPolarHBondContact CD-O 3.43Å; S397-T1034 WeakPolarHBondContact CB-O 3.34Å; S397-T1034 PolarHBondContact OG-O 3.13Å; Y399-T1034 HydrophobicContact CD2-CG2 3.67Å; Y399-T1034 HydrophobicContact CE2-CG2 3.49Å; Y399-T1034 VanDerWaalsContact CE2-CG2 3.49Å; N1031-T1034 PolarHBondContact ND2-OG1 2.89Å; N1031-T1034 WeakPolarHBondContact O-CG2 3.32Å; N1031-T1034 PolarHBondContact O-N 2.9Å; N1031-T1034 PolarHBondContact O-OG1 3.28Å; G1032-T1034 PolarHBondContact O-N 2.91Å; G1032-T1034 VanDerWaalsContact O-N 3.16Å; T1034-Y1036 VanDerWaalsContact C-N 3.28Å; T1034-Y1036 PolarHBondContact OG1-N 2.86Å; T1034-Y1036 PolarHBondContact OG1-O 3.06Å
1035	G	96.5	Very high	91.9	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.01	15%	0.149	C	C	.	.	S	Bend	trans	81.9	5	-173.1	0	0	0	0	0	114.2	S324 G352 F1028 R1033	S324-G1035 PolarHBondContact N-O 2.87Å; G352-G1035 WeakPolarHBondContact O-CA 3.34Å; F1028-G1035 VanDerWaalsContact CE1-O 3.29Å; F1028-G1035 WeakPolarHBondContact CE1-O 3.39Å; R1033-G1035 PolarHBondContact O-N 2.66Å; R1033-G1035 VanDerWaalsContact O-N 3.17Å
1036	Y	97.8	Very high	90.8	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	122	177.3	-74.3	-85.6	0	0	0	110	M314 L318 Y321 I323 R354 Y399 P400 P444 N1031 T1034	M314-Y1036 HydrophobicContact CE-CD2 4.37Å; M314-Y1036 HydrophobicContact CE-CG 4.1Å; L318-Y1036 HydrophobicContact CD1-CD1 4.35Å; L318-Y1036 HydrophobicContact CD1-CE1 3.57Å; Y321-Y1036 HydrophobicContact CG-CD1 4.25Å; I323-Y1036 HydrophobicContact CB-CE1 4.24Å; I323-Y1036 HydrophobicContact CD1-CD1 4.47Å; I323-Y1036 HydrophobicContact CD1-CE1 3.75Å; I323-Y1036 HydrophobicContact CG1-CD1 3.89Å; I323-Y1036 HydrophobicContact CG1-CE1 3.57Å; I323-Y1036 HydrophobicContact CG2-CD1 4.48Å; I323-Y1036 HydrophobicContact CG2-CE1 3.83Å; R354-Y1036 HydrophobicContact CB-CE2 3.77Å; R354-Y1036 HydrophobicContact CG-CD2 3.85Å; R354-Y1036 HydrophobicContact CG-CE2 3.43Å; R354-Y1036 VanDerWaalsContact CG-CE2 3.43Å; Y399-Y1036 HydrophobicContact CG-CD2 4.3Å; P400-Y1036 HydrophobicContact CG-CE2 4.29Å; P400-Y1036 PolarHBondContact O-OH 3.17Å; P444-Y1036 HydrophobicContact CG-CD1 4.15Å; P444-Y1036 HydrophobicContact CG-CE1 4.49Å; N1031-Y1036 PolarHBondContact ND2-O 3.49Å; T1034-Y1036 VanDerWaalsContact C-N 3.28Å; T1034-Y1036 PolarHBondContact OG1-N 2.86Å; T1034-Y1036 PolarHBondContact OG1-O 3.06Å
1037	V	96.1	Very high	89.9	Confident	10 Å²	10	44.1 Å²	44.1	6%	0.061	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	121	175.3	-180	0	0	0	0	108.1	Y321 W322 L1027 F1028 L1030 Q1039	Y321-V1037 CarbonylContact C-O 3.49Å; Y321-V1037 VanDerWaalsContact CA-O 3.31Å; Y321-V1037 WeakPolarHBondContact CA-O 3.22Å; W322-V1037 HydrophobicContact CE3-CB 4.15Å; W322-V1037 HydrophobicContact CE3-CG1 3.86Å; W322-V1037 HydrophobicContact CZ3-CG1 4.17Å; W322-V1037 PolarHBondContact N-O 2.84Å; W322-V1037 PolarHBondContact O-N 3.25Å; W322-V1037 VanDerWaalsContact O-N 3.09Å; L1027-V1037 HydrophobicContact CD1-CG1 4.27Å; F1028-V1037 HydrophobicContact CD1-CG2 3.83Å; F1028-V1037 HydrophobicContact CE1-CG2 4.13Å; L1030-V1037 HydrophobicContact CB-CG1 4.49Å; L1030-V1037 HydrophobicContact CB-CG2 4.12Å; L1030-V1037 HydrophobicContact CD1-CG1 4.11Å; V1037-Q1039 PolarHBondContact O-N 3.09Å
1038	L	95.6	Very high	89.3	Confident	28 Å²	28	45.6 Å²	45.6	15%	0.147	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	129.2	177.3	-177.1	65.3	0	0	0	108.9	D313 N316 H320 Y321 R1044	D313-L1038 HydrophobicContact CB-CB 4.32Å; D313-L1038 HydrophobicContact CB-CD2 3.92Å; N316-L1038 HydrophobicContact CB-CD1 3.78Å; H320-L1038 HydrophobicContact CB-CD1 4.16Å; Y321-L1038 HydrophobicContact CD1-CB 4.12Å; Y321-L1038 HydrophobicContact CD1-CD1 4.26Å; Y321-L1038 HydrophobicContact CE1-CB 3.87Å; Y321-L1038 HydrophobicContact CE1-CD1 3.78Å; Y321-L1038 HydrophobicContact CE1-CG 4.42Å; Y321-L1038 HydrophobicContact CE2-CD1 4.23Å; L1038-R1044 VanDerWaalsContact CD1-NH1 3.29Å
1039	Q	94.8	Very high	88.7	Confident	3 Å²	3	47.2 Å²	47.2	1%	0.014	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-60.7	156.5	174.8	-68.8	168.4	-1.6	0	0	110.1	H320 W322 G1006 V1037 M1043 R1044	H320-Q1039 VanDerWaalsContact O-CB 3.27Å; H320-Q1039 WeakPolarHBondContact O-CB 3.45Å; H320-Q1039 WeakPolarHBondContact O-CG 3.44Å; H320-Q1039 PolarHBondContact O-N 3.12Å; W322-Q1039 HydrophobicContact CD2-CG 3.89Å; W322-Q1039 HydrophobicContact CE3-CG 4.38Å; W322-Q1039 HydrophobicContact CG-CG 4.24Å; W322-Q1039 HydrophobicContact CZ2-CG 4.06Å; G1006-Q1039 PolarHBondContact O-NE2 2.67Å; V1037-Q1039 PolarHBondContact O-N 3.09Å; Q1039-M1043 HydrophobicContact CG-CE 4.47Å; Q1039-R1044 VanDerWaalsContact O-CZ 3.29Å; Q1039-R1044 PolarHBondContact O-NH1 2.61Å; Q1039-R1044 PolarHBondContact O-NH2 3.1Å
1040	P	90.3	Very high	88.1	Confident	11 Å²	11	46.4 Å²	46.4	7%	0.071	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-57.5	151	173.6	-28.2	36.2	0	0	0	112.6	W322 S1042 M1043 N1128	W322-P1040 HydrophobicContact CH2-CG 4.02Å; P1040-S1042 WeakPolarHBondContact CB-OG 3.23Å; P1040-S1042 PolarHBondContact O-N 2.96Å; P1040-M1043 HydrophobicContact CB-CG 4.36Å; P1040-M1043 VanDerWaalsContact CD-SD 3.59Å; P1040-M1043 HydrophobicContact CG-CG 4.44Å; P1040-M1043 HydrophobicContact CG-SD 4.02Å; P1040-M1043 PolarHBondContact O-N 2.86Å; P1040-N1128 HydrophobicContact CB-CB 4.06Å; P1040-N1128 HydrophobicContact CG-CB 3.59Å
1041	E	85.5	Confident	87.7	Confident	114 Å²	114	48.4 Å²	48.4	53%	0.533	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-34	177	-169.9	177.6	173.2	0	0	111.5	M1043 R1044 N1045 E1194	E1041-M1043 VanDerWaalsContact C-N 3.33Å; E1041-M1043 PolarHBondContact O-N 3.25Å; E1041-R1044 VanDerWaalsContact CA-NH2 3.31Å; E1041-R1044 PolarHBondContact O-N 2.8Å; E1041-R1044 VanDerWaalsContact O-N 3.08Å; E1041-N1045 PolarHBondContact O-N 2.92Å; E1041-E1194 HydrophobicContact CB-CG 4.45Å; E1041-E1194 WeakPolarHBondContact CB-OE1 3.42Å; E1041-E1194 PolarHBondContact N-OE1 2.96Å
1042	S	83.7	Confident	87.2	Confident	42 Å²	42	48.5 Å²	48.5	29%	0.294	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-53.9	-47.1	173.8	56	0	0	0	0	112.1	P1040 R1044 N1045 Y1048	P1040-S1042 WeakPolarHBondContact CB-OG 3.23Å; P1040-S1042 PolarHBondContact O-N 2.96Å; S1042-R1044 PolarHBondContact O-N 3.33Å; S1042-N1045 VanDerWaalsContact O-CB 3.3Å; S1042-N1045 WeakPolarHBondContact O-CB 3.37Å; S1042-N1045 PolarHBondContact O-N 3.39Å; S1042-Y1048 WeakPolarHBondContact O-CB 3.22Å
1043	M	86.4	Confident	86.9	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.005	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-64.9	-20.3	-180	-72.5	-179.7	56.5	0	0	114.1	W322 L975 Q979 W1003 Q1039 P1040 E1041 Y1048	W322-M1043 HydrophobicContact CH2-SD 4.19Å; W322-M1043 HydrophobicContact CZ2-CE 3.92Å; W322-M1043 HydrophobicContact CZ2-SD 3.7Å; L975-M1043 HydrophobicContact CD1-CE 4.27Å; Q979-M1043 PolarHBondContact NE2-O 2.96Å; W1003-M1043 WeakPolarHBondContact O-CE 3.16Å; Q1039-M1043 HydrophobicContact CG-CE 4.47Å; P1040-M1043 HydrophobicContact CB-CG 4.36Å; P1040-M1043 VanDerWaalsContact CD-SD 3.59Å; P1040-M1043 HydrophobicContact CG-CG 4.44Å; P1040-M1043 HydrophobicContact CG-SD 4.02Å; P1040-M1043 PolarHBondContact O-N 2.86Å; E1041-M1043 VanDerWaalsContact C-N 3.33Å; E1041-M1043 PolarHBondContact O-N 3.25Å; M1043-Y1048 HydrophobicContact CB-CD1 4.49Å; M1043-Y1048 HydrophobicContact CB-CE1 4.5Å; M1043-Y1048 HydrophobicContact CG-CD1 4.06Å; M1043-Y1048 HydrophobicContact CG-CE1 3.63Å; M1043-Y1048 HydrophobicContact CG-CE2 4.13Å; M1043-Y1048 HydrophobicContact CG-CG 4.47Å
1044	R	82.8	Confident	86.1	Confident	58 Å²	58	53.6 Å²	53.6	22%	0.219	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-87.9	-6.5	175.2	-66.4	-173.1	-73.3	-91	-4.2	113.2	H320 L1038 Q1039 E1041 S1042	H320-R1044 WeakPolarHBondContact ND1-CD 3.4Å; L1038-R1044 VanDerWaalsContact CD1-NH1 3.29Å; Q1039-R1044 VanDerWaalsContact O-CZ 3.29Å; Q1039-R1044 PolarHBondContact O-NH1 2.61Å; Q1039-R1044 PolarHBondContact O-NH2 3.1Å; E1041-R1044 VanDerWaalsContact CA-NH2 3.31Å; E1041-R1044 PolarHBondContact O-N 2.8Å; E1041-R1044 VanDerWaalsContact O-N 3.08Å; S1042-R1044 PolarHBondContact O-N 3.33Å
1045	N	80.8	Confident	85.1	Confident	86 Å²	86	58.8 Å²	58.8	46%	0.46	30%	0.301	S	S	.	.	S	Bend	trans	-87.1	145.9	176.6	-167	-16.3	0	0	0	110.7	E1041 S1042 E1047 Y1048	E1041-N1045 PolarHBondContact O-N 2.92Å; S1042-N1045 VanDerWaalsContact O-CB 3.3Å; S1042-N1045 WeakPolarHBondContact O-CB 3.37Å; S1042-N1045 PolarHBondContact O-N 3.39Å; N1045-E1047 PolarHBondContact O-N 3.3Å; N1045-E1047 PolarHBondContact OD1-N 3.15Å; N1045-Y1048 PolarHBondContact O-N 2.95Å
1046	E	73.5	Confident	84.2	Confident	165 Å²	165	67 Å²	67	77%	0.771	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-21	179.7	-63.7	-168.1	167	0	0	113.5
1047	E	78.1	Confident	83.4	Confident	176 Å²	176	70.8 Å²	70.8	82%	0.822	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-8.4	-179.8	-64.1	-175.4	175.8	0	0	114.1	N1045 D1049	N1045-E1047 PolarHBondContact O-N 3.3Å; N1045-E1047 PolarHBondContact OD1-N 3.15Å; E1047-D1049 PolarHBondContact O-N 3.38Å
1048	Y	83.2	Confident	82.7	Confident	36 Å²	36	77.6 Å²	77.6	14%	0.141	38%	0.375	C	S	.	.			trans	-73.9	124.9	-178.5	-176.7	-92.1	0	0	0	111.4	L975 S1042 M1043 N1045 P1050 D1126	L975-Y1048 HydrophobicContact CD2-CD1 3.62Å; L975-Y1048 HydrophobicContact CD2-CE1 4.33Å; S1042-Y1048 WeakPolarHBondContact O-CB 3.22Å; M1043-Y1048 HydrophobicContact CB-CD1 4.49Å; M1043-Y1048 HydrophobicContact CB-CE1 4.5Å; M1043-Y1048 HydrophobicContact CG-CD1 4.06Å; M1043-Y1048 HydrophobicContact CG-CE1 3.63Å; M1043-Y1048 HydrophobicContact CG-CE2 4.13Å; M1043-Y1048 HydrophobicContact CG-CG 4.47Å; N1045-Y1048 PolarHBondContact O-N 2.95Å; Y1048-P1050 HydrophobicContact CD1-CB 4.49Å; Y1048-P1050 HydrophobicContact CE1-CB 3.94Å; Y1048-D1126 PolarHBondContact OH-OD2 3.37Å
1049	D	84.9	Confident	82.2	Confident	47 Å²	47	78.1 Å²	78.1	25%	0.251	38%	0.377	S	S	.	.			trans	-104.8	112.3	173.5	-172.7	-10.2	0	0	0	108.1	E1047 M1051 P1052	E1047-D1049 PolarHBondContact O-N 3.38Å; D1049-M1051 PolarHBondContact O-N 3.39Å; D1049-M1051 PolarHBondContact OD1-N 3.02Å; D1049-P1052 HydrophobicContact CB-CB 4.36Å; D1049-P1052 WeakPolarHBondContact O-CD 3.4Å
1050	P	81.9	Confident	81.7	Confident	0 Å²	0	80.5 Å²	80.5	0%	0	39%	0.388	C	S	.	.	S	Bend	trans	-69.6	-14.9	179.5	30.1	-36.5	0	0	0	112.9	P971 L975 L1004 Y1048	P971-P1050 HydrophobicContact CB-CG 4.02Å; L975-P1050 HydrophobicContact CD2-CG 4.3Å; L1004-P1050 HydrophobicContact CB-CB 4.41Å; L1004-P1050 WeakPolarHBondContact O-CB 3.41Å; Y1048-P1050 HydrophobicContact CD1-CB 4.49Å; Y1048-P1050 HydrophobicContact CE1-CB 3.94Å
1051	M	82.7	Confident	81.6	Confident	61 Å²	61	80.6 Å²	80.6	30%	0.3	39%	0.388	S	S	.	.	S	Bend	trans	-136.8	63.4	-179	-153.3	72.6	63.5	0	0	111.2	V967 P971 D1049	V967-M1051 HydrophobicContact CG1-CE 4.25Å; P971-M1051 HydrophobicContact CG-CB 4.35Å; D1049-M1051 PolarHBondContact O-N 3.39Å; D1049-M1051 PolarHBondContact OD1-N 3.02Å
1052	P	82.1	Confident	81.9	Confident	18 Å²	18	77.1 Å²	77.1	12%	0.117	37%	0.373	C	S	.	.			trans	-71.2	139.6	-172.2	29.8	-32.9	0	0	0	111.7	D1049 R1056 R1057 Y1094	D1049-P1052 HydrophobicContact CB-CB 4.36Å; D1049-P1052 WeakPolarHBondContact O-CD 3.4Å; P1052-R1056 HydrophobicContact CB-CB 4.24Å; P1052-R1057 HydrophobicContact CG-CG 4.25Å; P1052-R1057 PolarHBondContact O-NE 3.43Å; P1052-Y1094 HydrophobicContact CG-CE1 4.44Å
1053	N	80.6	Confident	82.3	Confident	112 Å²	112	75.1 Å²	75.1	60%	0.599	36%	0.359	S	S	*	.			trans	-56.7	152.5	169.1	-68.6	-8.3	0	0	0	111	S1055 R1056 R1057	N1053-S1055 PolarHBondContact O-N 3.03Å; N1053-S1055 VanDerWaalsContact O-N 3.07Å; N1053-R1056 PolarHBondContact O-N 2.58Å; N1053-R1057 PolarHBondContact O-N 2.82Å
1054	E	77	Confident	82.6	Confident	153 Å²	153	75.5 Å²	75.5	72%	0.715	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-50.8	-40.1	-175.4	-57	-163.9	142.9	0	0	113.8	R1056 R1057	E1054-R1056 PolarHBondContact O-N 3.02Å; E1054-R1057 PolarHBondContact O-N 3.3Å; E1054-R1057 IonicContact OE1-NH1 3.6Å
1055	S	72.9	Confident	83.1	Confident	113 Å²	113	72.9 Å²	72.9	79%	0.79	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-68.7	-14.9	179.8	58.1	0	0	0	0	115.1	N1053	N1053-S1055 PolarHBondContact O-N 3.03Å; N1053-S1055 VanDerWaalsContact O-N 3.07Å
1056	R	76.8	Confident	83.6	Confident	173 Å²	173	71.5 Å²	71.5	65%	0.653	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-102.1	-8.5	179.2	-67.3	-175.8	176.1	-179	-2.2	113.1	P1052 N1053 E1054 K1058	P1052-R1056 HydrophobicContact CB-CB 4.24Å; N1053-R1056 PolarHBondContact O-N 2.58Å; E1054-R1056 PolarHBondContact O-N 3.02Å; R1056-K1058 PolarHBondContact O-N 3.41Å
1057	R	81.9	Confident	84.6	Confident	80 Å²	80	64.1 Å²	64.1	30%	0.302	31%	0.306	S	S	.	.			trans	-67.7	131	178.1	-61.8	-179.4	-170.5	160.1	0.7	109.3	P1052 N1053 E1054 Y1125	P1052-R1057 HydrophobicContact CG-CG 4.25Å; P1052-R1057 PolarHBondContact O-NE 3.43Å; N1053-R1057 PolarHBondContact O-N 2.82Å; E1054-R1057 PolarHBondContact O-N 3.3Å; E1054-R1057 IonicContact OE1-NH1 3.6Å; R1057-Y1125 HydrophobicContact CB-CD1 3.73Å; R1057-Y1125 HydrophobicContact CB-CE1 3.94Å
1058	K	81.4	Confident	85.4	Confident	152 Å²	152	56 Å²	56	66%	0.661	27%	0.268	S	S	*	.			trans	-115.3	119.3	177.1	-67.2	179.5	-176.6	173.1	0	108.4	R1056 Q1060 L1190	R1056-K1058 PolarHBondContact O-N 3.41Å; K1058-Q1060 PolarHBondContact O-N 3.47Å; K1058-L1190 HydrophobicContact CB-CD1 4.14Å
1059	L	84.1	Confident	86	Confident	39 Å²	39	54.3 Å²	54.3	20%	0.204	26%	0.262	C	S	.	.			trans	-64.1	121.6	174.1	-177.9	63.4	0	0	0	109	I1062 E1123 Y1125 V1189	L1059-I1062 HydrophobicContact CD2-CD1 4.04Å; L1059-I1062 HydrophobicContact CD2-CG1 3.94Å; L1059-I1062 HydrophobicContact CG-CG1 4.5Å; L1059-E1123 HydrophobicContact CD1-CB 3.65Å; L1059-E1123 HydrophobicContact CD1-CG 4.08Å; L1059-Y1125 HydrophobicContact CB-CD1 4.44Å; L1059-Y1125 HydrophobicContact CB-CE1 4.19Å; L1059-Y1125 HydrophobicContact CD1-CE1 4.47Å; L1059-Y1125 HydrophobicContact CD1-CE2 4.42Å; L1059-V1189 HydrophobicContact CD2-CG2 4.07Å; L1059-V1189 HydrophobicContact CG-CB 4.49Å; L1059-V1189 HydrophobicContact CG-CG2 4.1Å
1060	Q	85.4	Confident	86.6	Confident	53 Å²	53	52 Å²	52	25%	0.248	25%	0.25	C	C	.	.			trans	-101.5	-38.4	-178.8	-69.7	-165.2	55.3	0	0	111.9	K1058 I1124 Y1125 P1127 V1189	K1058-Q1060 PolarHBondContact O-N 3.47Å; Q1060-I1124 PolarHBondContact N-O 3.01Å; Q1060-I1124 VanDerWaalsContact N-O 3.07Å; Q1060-Y1125 VanDerWaalsContact CG-O 3.31Å; Q1060-Y1125 WeakPolarHBondContact CG-O 3.36Å; Q1060-Y1125 PolarHBondContact NE2-O 3.05Å; Q1060-P1127 HydrophobicContact CB-CG 4.09Å; Q1060-V1189 PolarHBondContact O-N 2.7Å
1061	M	88.9	Confident	87.4	Confident	14 Å²	14	52.6 Å²	52.6	7%	0.069	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	145.3	-174.6	-168.4	179.2	69.2	0	0	111.6	M1063 I1124 I1155 M1186 Q1187	M1061-M1063 HydrophobicContact CE-CB 4.41Å; M1061-M1063 HydrophobicContact CE-CE 3.41Å; M1061-M1063 VanDerWaalsContact CE-CE 3.41Å; M1061-I1124 HydrophobicContact CB-CB 4.39Å; M1061-I1124 HydrophobicContact CE-CB 4.26Å; M1061-I1124 HydrophobicContact CE-CD1 3.34Å; M1061-I1124 HydrophobicContact CE-CG1 4.37Å; M1061-I1124 HydrophobicContact CE-CG2 4.43Å; M1061-I1124 PolarHBondContact N-O 3.02Å; M1061-I1124 PolarHBondContact O-N 3.15Å; M1061-I1155 HydrophobicContact CE-CG2 3.35Å; M1061-I1155 HydrophobicContact SD-CG2 4.32Å; M1061-M1186 HydrophobicContact SD-CB 4.38Å; M1061-M1186 HydrophobicContact SD-CG 4.49Å; M1061-M1186 HydrophobicContact SD-SD 4.43Å; M1061-Q1187 WeakPolarHBondContact CA-O 3.33Å; M1061-Q1187 WeakPolarHBondContact CG-O 3.42Å
1062	I	91.4	Very high	88.1	Confident	40 Å²	40	50.5 Å²	50.5	21%	0.205	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	129.9	166.9	-61.5	170.9	0	0	0	107.6	L1059 K1121 F1122 Q1187 V1189	L1059-I1062 HydrophobicContact CD2-CD1 4.04Å; L1059-I1062 HydrophobicContact CD2-CG1 3.94Å; L1059-I1062 HydrophobicContact CG-CG1 4.5Å; I1062-K1121 HydrophobicContact CG2-CB 4.24Å; I1062-K1121 HydrophobicContact CG2-CD 4.4Å; I1062-F1122 CarbonylContact C-O 3.47Å; I1062-F1122 WeakPolarHBondContact CA-O 3.23Å; I1062-Q1187 PolarHBondContact N-O 2.66Å; I1062-Q1187 PolarHBondContact O-N 3.14Å; I1062-V1189 HydrophobicContact CD1-CG2 3.94Å; I1062-V1189 HydrophobicContact CG1-CG2 3.86Å
1063	M	92.2	Very high	88.9	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	131.2	177.8	-176.3	-178.3	-57.8	0	0	110.9	M1061 V1065 K1121 F1122 I1124 L1132 I1155 I1158 E1185 M1186	M1061-M1063 HydrophobicContact CE-CB 4.41Å; M1061-M1063 HydrophobicContact CE-CE 3.41Å; M1061-M1063 VanDerWaalsContact CE-CE 3.41Å; M1063-V1065 HydrophobicContact CG-CG2 3.87Å; M1063-V1065 HydrophobicContact SD-CG2 3.84Å; M1063-K1121 CarbonylContact O-C 3.57Å; M1063-K1121 WeakPolarHBondContact O-CA 3.37Å; M1063-F1122 HydrophobicContact CB-CB 4.37Å; M1063-F1122 PolarHBondContact N-O 2.86Å; M1063-F1122 PolarHBondContact O-N 2.68Å; M1063-I1124 HydrophobicContact CB-CD1 4.14Å; M1063-I1124 HydrophobicContact CE-CD1 4Å; M1063-L1132 HydrophobicContact SD-CD1 4.41Å; M1063-L1132 HydrophobicContact SD-CD2 4Å; M1063-I1155 HydrophobicContact CE-CD1 3.44Å; M1063-I1155 VanDerWaalsContact CE-CD1 3.44Å; M1063-I1155 HydrophobicContact CE-CG2 4.18Å; M1063-I1155 HydrophobicContact SD-CD1 4.21Å; M1063-I1158 HydrophobicContact CE-CD1 3.25Å; M1063-I1158 HydrophobicContact CE-CG1 4.41Å; M1063-I1158 HydrophobicContact SD-CD1 3.71Å; M1063-E1185 CarbonylContact C-O 3.43Å; M1063-E1185 WeakPolarHBondContact CA-O 3.45Å; M1063-M1186 HydrophobicContact CE-CG 3.99Å; M1063-M1186 HydrophobicContact CE-SD 4.05Å; M1063-M1186 HydrophobicContact CG-CG 4.3Å
1064	T	92.1	Very high	89.5	Confident	10 Å²	10	46.2 Å²	46.2	6%	0.061	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	127	172.4	-52.9	0	0	0	0	108.7	Q1119 C1184 E1185	T1064-Q1119 HydrophobicContact CG2-CB 4.11Å; T1064-C1184 WeakPolarHBondContact O-CA 3.4Å; T1064-E1185 PolarHBondContact N-O 3.27Å; T1064-E1185 PolarHBondContact O-N 3.01Å
1065	V	92.6	Very high	90	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.012	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	130.1	178.7	-174.8	0	0	0	0	110	M1063 V1087 F1122 L1132 F1134 H1183	M1063-V1065 HydrophobicContact CG-CG2 3.87Å; M1063-V1065 HydrophobicContact SD-CG2 3.84Å; V1065-V1087 HydrophobicContact CG1-CG1 4.28Å; V1065-F1122 HydrophobicContact CB-CE2 4.03Å; V1065-F1122 HydrophobicContact CG2-CD2 4.1Å; V1065-F1122 HydrophobicContact CG2-CE2 3.88Å; V1065-L1132 HydrophobicContact CG2-CD1 4.29Å; V1065-L1132 HydrophobicContact CG2-CD2 4.41Å; V1065-F1134 HydrophobicContact CG1-CE1 3.91Å; V1065-F1134 HydrophobicContact CG1-CZ 4.12Å; V1065-H1183 WeakPolarHBondContact CA-O 3.35Å
1066	R	91.9	Very high	90.3	Very high	57 Å²	57	37.9 Å²	37.9	22%	0.215	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	128.5	172.6	-61.5	-175.7	-71	156.4	-0.9	109.8	E220 L1068 V1182 H1183	E220-R1066 IonicContact OE2-CZ 3.56Å; E220-R1066 IonicContact OE2-NH1 3.41Å; E220-R1066 PolarHBondContact OE2-NH1 3.07Å; E220-R1066 IonicContact OE2-NH2 3.95Å; R1066-L1068 HydrophobicContact CB-CD2 4.49Å; R1066-V1182 CarbonylContact O-C 3.58Å; R1066-V1182 WeakPolarHBondContact O-CA 3.46Å; R1066-V1182 WeakPolarHBondContact O-CB 3.25Å; R1066-H1183 HydrophobicContact CB-CB 4.33Å; R1066-H1183 PolarHBondContact N-O 3.33Å; R1066-H1183 PolarHBondContact NH2-ND1 3.33Å; R1066-H1183 PolarHBondContact O-N 2.88Å
1067	V	94.6	Very high	90.3	Very high	10 Å²	10	32.2 Å²	32.2	6%	0.061	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	123.9	173.7	-177.3	0	0	0	0	108.5	V1085 V1087 F1099 T1101 W1113 V1182	V1067-V1085 HydrophobicContact CG1-CB 4.32Å; V1067-V1085 HydrophobicContact CG1-CG2 4.07Å; V1067-V1085 HydrophobicContact CG2-CB 4.47Å; V1067-V1085 HydrophobicContact CG2-CG1 4.22Å; V1067-V1087 HydrophobicContact CG2-CG2 3.74Å; V1067-F1099 HydrophobicContact CG2-CZ 4.46Å; V1067-T1101 HydrophobicContact CB-CG2 3.9Å; V1067-T1101 HydrophobicContact CG1-CG2 4.3Å; V1067-T1101 HydrophobicContact CG2-CG2 4.16Å; V1067-W1113 HydrophobicContact CG1-CD2 4.43Å; V1067-W1113 HydrophobicContact CG1-CE3 3.83Å; V1067-W1113 HydrophobicContact CG1-CZ3 4.22Å; V1067-V1182 HydrophobicContact CG2-CG1 4.33Å
1068	L	94.4	Very high	90.1	Very high	6 Å²	6	32.3 Å²	32.3	3%	0.031	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-43.2	-173.7	-56.5	178.4	0	0	0	112	I217 R1066 V1112 W1113 F1162 L1181 H1183	I217-L1068 HydrophobicContact CG2-CB 4.45Å; I217-L1068 HydrophobicContact CG2-CD1 4.22Å; R1066-L1068 HydrophobicContact CB-CD2 4.49Å; L1068-V1112 WeakPolarHBondContact O-CA 3.2Å; L1068-V1112 WeakPolarHBondContact O-CG1 3.2Å; L1068-W1113 PolarHBondContact O-N 2.97Å; L1068-F1162 HydrophobicContact CD1-CD1 3.69Å; L1068-F1162 HydrophobicContact CD1-CE1 3.8Å; L1068-L1181 HydrophobicContact CB-CG 4.34Å; L1068-L1181 WeakPolarHBondContact CB-O 3.34Å; L1068-L1181 HydrophobicContact CD1-CD2 4.41Å; L1068-L1181 HydrophobicContact CD1-CG 4.18Å; L1068-L1181 PolarHBondContact N-O 3.47Å; L1068-H1183 HydrophobicContact CD1-CB 4.38Å
1069	G	96.6	Very high	90.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.6	177.6	-179	0	0	0	0	0	112.5	P1111 L1180 L1181	G1069-P1111 CarbonylContact C-O 3.59Å; G1069-P1111 WeakPolarHBondContact CA-O 3.38Å; G1069-L1180 CarbonylContact O-C 3.58Å; G1069-L1180 WeakPolarHBondContact O-CA 3.37Å; G1069-L1181 PolarHBondContact N-O 3.34Å; G1069-L1181 PolarHBondContact O-N 3.44Å
1070	A	98.1	Very high	90.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	164.4	172.6	0	0	0	0	0	111.7	Q214 L1073 N1110 P1111 W1113 S1179 L1180	Q214-A1070 PolarHBondContact NE2-O 3.4Å; A1070-L1073 HydrophobicContact CB-CD1 3.97Å; A1070-L1073 HydrophobicContact CB-CD2 3.84Å; A1070-L1073 HydrophobicContact CB-CG 3.91Å; A1070-N1110 CarbonylContact O-C 3.45Å; A1070-N1110 WeakPolarHBondContact O-CA 3.25Å; A1070-P1111 HydrophobicContact CB-CG 3.82Å; A1070-P1111 PolarHBondContact N-O 3.47Å; A1070-P1111 WeakPolarHBondContact O-CD 3.01Å; A1070-W1113 HydrophobicContact CB-CH2 3.97Å; A1070-W1113 HydrophobicContact CB-CZ3 3.77Å; A1070-S1179 CarbonylContact C-O 3.51Å; A1070-S1179 WeakPolarHBondContact CA-O 3.21Å; A1070-S1179 WeakPolarHBondContact CB-O 3.33Å; A1070-L1180 HydrophobicContact CB-CD2 3.52Å
1071	R	97.8	Very high	90.7	Very high	11 Å²	11	22.2 Å²	22.2	4%	0.042	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	145.3	168.2	-68.5	-172.1	170	-172.6	-2.2	110.7	M210 Q214 T292 F295 L1073 L1109 A1178 S1179	M210-R1071 HydrophobicContact CE-CB 4.04Å; M210-R1071 VanDerWaalsContact CE-CD 3.44Å; M210-R1071 HydrophobicContact CE-CG 3.51Å; Q214-R1071 VanDerWaalsContact OE1-CZ 3.26Å; T292-R1071 PolarHBondContact OG1-NH1 3.44Å; T292-R1071 VanDerWaalsContact OG1-NH1 3.09Å; F295-R1071 HydrophobicContact CB-CG 4.49Å; F295-R1071 HydrophobicContact CD1-CB 4.29Å; F295-R1071 HydrophobicContact CD1-CG 3.74Å; F295-R1071 HydrophobicContact CD2-CG 4.39Å; F295-R1071 HydrophobicContact CE1-CG 3.96Å; F295-R1071 HydrophobicContact CG-CG 3.97Å; F295-R1071 HydrophobicContact CZ-CG 4.39Å; R1071-L1073 PolarHBondContact O-N 3.42Å; R1071-L1109 CarbonylContact C-O 3.46Å; R1071-L1109 VanDerWaalsContact CA-O 3.26Å; R1071-L1109 WeakPolarHBondContact CA-O 3.23Å; R1071-A1178 VanDerWaalsContact O-CA 3.31Å; R1071-A1178 WeakPolarHBondContact O-CA 3.47Å; R1071-S1179 PolarHBondContact N-O 2.79Å; R1071-S1179 PolarHBondContact O-N 2.84Å
1072	H	97.4	Very high	90.9	Very high	17 Å²	17	22.3 Å²	22.3	8%	0.079	12%	0.123	C	C	.	.	S	Bend	trans	49.4	46.9	173.4	-47	91.4	0	0	0	114.8	W145 Y206 L1109 L1177 A1178	W145-H1072 AromaticContact CE2-CD2 4Å; W145-H1072 AromaticContact CH2-CD2 3.91Å; W145-H1072 AromaticContact CZ2-CD2 3.76Å; Y206-H1072 AromaticContact CE2-NE2 3.74Å; Y206-H1072 AromaticContact CZ-NE2 3.68Å; Y206-H1072 PolarHBondContact OH-CE1 3.24Å; Y206-H1072 PolarHBondContact OH-NE2 3.49Å; H1072-L1109 PolarHBondContact N-O 3.46Å; H1072-L1177 HydrophobicContact CB-CB 4.14Å; H1072-L1177 WeakPolarHBondContact ND1-CB 3.46Å; H1072-L1177 PolarHBondContact ND1-O 3.3Å; H1072-A1178 VanDerWaalsContact O-CB 3.24Å; H1072-A1178 WeakPolarHBondContact O-CB 3.45Å
1073	L	97.8	Very high	91.1	Very high	6 Å²	6	20.4 Å²	20.4	3%	0.031	11%	0.113	C	C	.	.	P	Polyproline II helix	trans	-62.6	143.5	173.5	-60.6	177.8	0	0	0	110.2	N174 A1070 R1071 P1083 G1108 P1111 W1113 V1136 L1167 L1180	N174-L1073 PolarHBondContact ND2-O 3.12Å; A1070-L1073 HydrophobicContact CB-CD1 3.97Å; A1070-L1073 HydrophobicContact CB-CD2 3.84Å; A1070-L1073 HydrophobicContact CB-CG 3.91Å; R1071-L1073 PolarHBondContact O-N 3.42Å; L1073-P1083 HydrophobicContact CD1-CB 3.51Å; L1073-P1083 HydrophobicContact CD1-CG 3.74Å; L1073-G1108 VanDerWaalsContact CB-O 3.24Å; L1073-G1108 WeakPolarHBondContact CB-O 3.32Å; L1073-G1108 WeakPolarHBondContact CG-O 3.23Å; L1073-G1108 PolarHBondContact N-O 3.4Å; L1073-P1111 HydrophobicContact CD1-CG 3.95Å; L1073-W1113 HydrophobicContact CD1-CH2 4.46Å; L1073-V1136 HydrophobicContact CD1-CG1 3.92Å; L1073-V1136 HydrophobicContact CD2-CG1 4.02Å; L1073-V1136 HydrophobicContact CD2-CG2 4.3Å; L1073-L1167 HydrophobicContact CD2-CD1 3.41Å; L1073-L1167 VanDerWaalsContact CD2-CD1 3.41Å; L1073-L1180 HydrophobicContact CD2-CD2 4.48Å
1074	P	93.8	Very high	91.3	Very high	35 Å²	35	21 Å²	21	23%	0.227	12%	0.116	C	C	.	.	P	Polyproline II helix	trans	-64.9	150.4	-179	27.7	-34.1	0	0	0	111	N174 L1148 A1149 I1175	N174-P1074 VanDerWaalsContact ND2-C 3.27Å; N174-P1074 PolarHBondContact ND2-O 3.12Å; P1074-L1148 HydrophobicContact CG-CB 3.97Å; P1074-L1148 VanDerWaalsContact CG-O 3.29Å; P1074-L1148 WeakPolarHBondContact CG-O 3.38Å; P1074-A1149 HydrophobicContact CG-CB 4.26Å; P1074-I1175 HydrophobicContact CG-CD1 4.15Å
1075	K	87.8	Confident	91.6	Very high	66 Å²	66	20.5 Å²	20.5	29%	0.287	11%	0.113	S	C	.	.	P	Polyproline II helix	trans	-89.1	124.4	-176.5	-173.2	173.5	177.9	-179.3	0	111.9	P171 Q172 N174 G1077 R1078 S1079	P171-K1075 WeakPolarHBondContact O-CE 3.39Å; P171-K1075 PolarHBondContact O-NZ 2.93Å; Q172-K1075 WeakPolarHBondContact O-CD 3.45Å; N174-K1075 VanDerWaalsContact ND2-CA 3.3Å; N174-K1075 WeakPolarHBondContact ND2-CA 3.39Å; N174-K1075 PolarHBondContact ND2-N 3.37Å; K1075-G1077 WeakPolarHBondContact CE-O 3.23Å; K1075-G1077 PolarHBondContact O-N 3.07Å; K1075-R1078 WeakPolarHBondContact CE-O 3.46Å; K1075-R1078 PolarHBondContact NZ-O 3.1Å; K1075-S1079 WeakPolarHBondContact CE-O 3.2Å; K1075-S1079 WeakPolarHBondContact CG-O 3.46Å
1076	P	78.8	Confident	91.8	Very high	25 Å²	25	21 Å²	21	16%	0.162	12%	0.115	C	C	.	.			trans	-81.9	95.6	175.2	29.7	-29	0	0	0	110.4	R1078 A1081 E1138 L1148	P1076-R1078 PolarHBondContact O-N 3.07Å; P1076-A1081 HydrophobicContact CG-CB 3.99Å; P1076-E1138 VanDerWaalsContact CB-CD 3.41Å; P1076-E1138 HydrophobicContact CB-CG 4.06Å; P1076-E1138 WeakPolarHBondContact CB-OE1 3.39Å; P1076-E1138 HydrophobicContact CG-CB 4.33Å; P1076-E1138 HydrophobicContact CG-CG 3.96Å; P1076-E1138 WeakPolarHBondContact CG-OE2 3.49Å; P1076-L1148 HydrophobicContact CB-CD2 3.8Å; P1076-L1148 HydrophobicContact CG-CD2 3.91Å
1077	G	77.6	Confident	92	Very high	53 Å²	53	18.2 Å²	18.2	55%	0.546	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	-127.3	178.6	0	0	0	0	0	112.9	K1075	K1075-G1077 WeakPolarHBondContact CE-O 3.23Å; K1075-G1077 PolarHBondContact O-N 3.07Å
1078	R	78.4	Confident	92	Very high	83 Å²	83	18.7 Å²	18.7	31%	0.313	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-28.1	-173.6	-163.9	167.4	179.5	145.6	-8.2	113.6	Y710 E716 K1075 P1076	Y710-R1078 PolarHBondContact O-NE 2.9Å; Y710-R1078 PolarHBondContact O-NH2 3.46Å; E716-R1078 IonicContact OE1-CZ 2.99Å; E716-R1078 VanDerWaalsContact OE1-CZ 3.3Å; E716-R1078 IonicContact OE1-NH1 3.53Å; E716-R1078 PolarHBondContact OE1-NH1 3.24Å; E716-R1078 IonicContact OE1-NH2 3.93Å; E716-R1078 PolarHBondContact OE1-NH2 3.23Å; K1075-R1078 WeakPolarHBondContact CE-O 3.46Å; K1075-R1078 PolarHBondContact NZ-O 3.1Å; P1076-R1078 PolarHBondContact O-N 3.07Å
1079	S	83	Confident	92	Very high	22 Å²	22	18.5 Å²	18.5	15%	0.154	11%	0.105	C	C	.	.	S	Bend	trans	-73.4	155.2	-178.7	-56.5	0	0	0	0	112	K1075	K1075-S1079 WeakPolarHBondContact CE-O 3.2Å; K1075-S1079 WeakPolarHBondContact CG-O 3.46Å
1080	I	88.6	Confident	91.8	Very high	9 Å²	9	18.8 Å²	18.8	5%	0.046	11%	0.107	C	C	.	.	P	Polyproline II helix	trans	-77.8	132.7	166.1	-59.8	172.2	0	0	0	107.5	K176 S708 D1106	K176-I1080 HydrophobicContact CB-CD1 3.67Å; K176-I1080 HydrophobicContact CG-CD1 4.21Å; S708-I1080 PolarHBondContact OG-N 2.98Å; I1080-D1106 HydrophobicContact CG2-CB 4.35Å; I1080-D1106 WeakPolarHBondContact CG2-O 3.08Å
1081	A	90.5	Very high	91.1	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.109	C	C	.	.	P	Polyproline II helix	trans	-60.8	141.7	-178.7	0	0	0	0	0	112.3	N174 P1076 P1083 N1107 E1138 L1148	N174-A1081 PolarHBondContact OD1-N 2.91Å; N174-A1081 VanDerWaalsContact OD1-N 3.08Å; P1076-A1081 HydrophobicContact CG-CB 3.99Å; A1081-P1083 VanDerWaalsContact C-CD 3.41Å; A1081-P1083 WeakPolarHBondContact O-CD 3.31Å; A1081-N1107 PolarHBondContact O-N 3.29Å; A1081-N1107 VanDerWaalsContact O-N 3.07Å; A1081-E1138 HydrophobicContact CB-CB 4.45Å; A1081-L1148 HydrophobicContact CB-CD1 4.06Å
1082	C	93.6	Very high	90.2	Very high	16 Å²	16	18.5 Å²	18.5	11%	0.108	11%	0.108	C	C	.	.			trans	-105.3	80.3	163.7	-66.3	0	0	0	0	109.3	V1103 V1104 D1106 E1138 E1139	C1082-V1103 HydrophobicContact CB-CG1 3.87Å; C1082-V1104 CarbonylContact C-O 3.45Å; C1082-V1104 VanDerWaalsContact C-O 3.25Å; C1082-V1104 WeakPolarHBondContact CA-O 3.38Å; C1082-D1106 PolarHBondContact SG-N 2.86Å; C1082-E1138 WeakPolarHBondContact O-CA 3.47Å; C1082-E1139 PolarHBondContact O-N 2.94Å
1083	P	96.4	Very high	89.2	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	147.8	-166.7	31	-38.7	0	0	0	114.2	L1073 A1081 V1104 N1107 P1111 W1113 V1136 Y1137	L1073-P1083 HydrophobicContact CD1-CB 3.51Å; L1073-P1083 HydrophobicContact CD1-CG 3.74Å; A1081-P1083 VanDerWaalsContact C-CD 3.41Å; A1081-P1083 WeakPolarHBondContact O-CD 3.31Å; P1083-V1104 WeakPolarHBondContact CD-O 3.47Å; P1083-V1104 HydrophobicContact CG-CB 4.44Å; P1083-V1104 PolarHBondContact O-N 2.73Å; P1083-N1107 WeakPolarHBondContact CD-O 3.44Å; P1083-N1107 WeakPolarHBondContact CG-O 3.5Å; P1083-P1111 HydrophobicContact CG-CB 4.16Å; P1083-P1111 HydrophobicContact CG-CG 4.01Å; P1083-W1113 HydrophobicContact CB-CH2 4.47Å; P1083-W1113 HydrophobicContact CB-CZ2 4.07Å; P1083-W1113 HydrophobicContact CG-CZ2 4.14Å; P1083-V1136 HydrophobicContact CB-CG1 4.26Å; P1083-Y1137 CarbonylContact C-O 3.54Å; P1083-Y1137 VanDerWaalsContact CA-O 3.23Å; P1083-Y1137 WeakPolarHBondContact CA-O 3.32Å
1084	F	96.7	Very high	88.1	Confident	13 Å²	13	25.1 Å²	25.1	6%	0.057	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	158.8	159.4	72.3	-86.3	0	0	0	110.1	K1100 V1103 Y1137 E1139 P1145	F1084-K1100 HydrophobicContact CD2-CB 4.41Å; F1084-K1100 HydrophobicContact CD2-CD 4.5Å; F1084-K1100 HydrophobicContact CE2-CD 3.94Å; F1084-K1100 HydrophobicContact CE2-CG 4.33Å; F1084-V1103 HydrophobicContact CB-CG2 4.05Å; F1084-V1103 HydrophobicContact CD1-CG2 3.99Å; F1084-V1103 HydrophobicContact CG-CG2 4.27Å; F1084-Y1137 HydrophobicContact CE1-CG 4.29Å; F1084-Y1137 AromaticContact CE2-CD2 3.73Å; F1084-Y1137 HydrophobicContact CE2-CD2 3.73Å; F1084-Y1137 HydrophobicContact CE2-CG 4.19Å; F1084-Y1137 AromaticContact CZ-CD2 3.78Å; F1084-Y1137 HydrophobicContact CZ-CD2 3.78Å; F1084-Y1137 AromaticContact CZ-CG 3.77Å; F1084-Y1137 HydrophobicContact CZ-CG 3.77Å; F1084-Y1137 PolarHBondContact N-O 3.05Å; F1084-Y1137 PolarHBondContact O-N 2.9Å; F1084-E1139 HydrophobicContact CD1-CB 4.42Å; F1084-E1139 HydrophobicContact CE1-CB 4.44Å; F1084-P1145 HydrophobicContact CE1-CB 4.01Å; F1084-P1145 HydrophobicContact CZ-CB 3.73Å
1085	V	97.3	Very high	87.4	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	126.2	-178.7	-173.7	0	0	0	0	109.5	V1067 V1087 K1100 T1101 W1113 F1134 V1135 V1136 L1180	V1067-V1085 HydrophobicContact CG1-CB 4.32Å; V1067-V1085 HydrophobicContact CG1-CG2 4.07Å; V1067-V1085 HydrophobicContact CG2-CB 4.47Å; V1067-V1085 HydrophobicContact CG2-CG1 4.22Å; V1085-V1087 HydrophobicContact CG1-CG2 4.04Å; V1085-K1100 CarbonylContact O-C 3.55Å; V1085-K1100 WeakPolarHBondContact O-CA 3.21Å; V1085-T1101 HydrophobicContact CB-CG2 4.05Å; V1085-T1101 PolarHBondContact N-OG1 3.06Å; V1085-T1101 PolarHBondContact O-N 2.82Å; V1085-W1113 HydrophobicContact CG2-CH2 3.72Å; V1085-W1113 HydrophobicContact CG2-CZ2 3.89Å; V1085-W1113 HydrophobicContact CG2-CZ3 4.1Å; V1085-F1134 HydrophobicContact CG1-CD1 4.45Å; V1085-V1135 WeakPolarHBondContact CA-O 3.31Å; V1085-V1136 HydrophobicContact CG2-CG2 4.31Å; V1085-L1180 HydrophobicContact CG1-CD1 3.87Å; V1085-L1180 HydrophobicContact CG2-CD1 4.27Å; V1085-L1180 HydrophobicContact CG2-CD2 4.08Å
1086	E	96.7	Very high	87.1	Confident	11 Å²	11	24.5 Å²	24.5	5%	0.051	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	127.5	164	-173.4	174.1	67.2	0	0	108.4	K1098 F1099 K1100 F1134 V1135 Y1137	E1086-K1098 IonicContact OE2-NZ 2.89Å; E1086-F1099 WeakPolarHBondContact CA-O 3.41Å; E1086-K1100 HydrophobicContact CB-CG 4.13Å; E1086-K1100 HydrophobicContact CG-CG 4.02Å; E1086-K1100 WeakPolarHBondContact OE2-CE 3.13Å; E1086-K1100 IonicContact OE2-NZ 3.71Å; E1086-F1134 CarbonylContact O-C 3.44Å; E1086-F1134 WeakPolarHBondContact O-CA 3.47Å; E1086-V1135 HydrophobicContact CB-CB 4.48Å; E1086-V1135 PolarHBondContact N-O 3.36Å; E1086-V1135 PolarHBondContact O-N 3.31Å; E1086-Y1137 HydrophobicContact CB-CD2 4.22Å; E1086-Y1137 HydrophobicContact CB-CE2 3.88Å
1087	V	95.9	Very high	87.5	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	121.9	173.3	-173.9	0	0	0	0	107.4	V1065 V1067 V1085 K1098 F1099 F1122 L1132 R1133 F1134	V1065-V1087 HydrophobicContact CG1-CG1 4.28Å; V1067-V1087 HydrophobicContact CG2-CG2 3.74Å; V1085-V1087 HydrophobicContact CG1-CG2 4.04Å; V1087-K1098 CarbonylContact O-C 3.58Å; V1087-K1098 WeakPolarHBondContact O-CA 3.24Å; V1087-F1099 HydrophobicContact CB-CD1 3.97Å; V1087-F1099 HydrophobicContact CB-CE1 3.49Å; V1087-F1099 VanDerWaalsContact CB-CE1 3.49Å; V1087-F1099 HydrophobicContact CB-CE2 4.44Å; V1087-F1099 HydrophobicContact CB-CZ 3.75Å; V1087-F1099 HydrophobicContact CG1-CE1 3.91Å; V1087-F1099 HydrophobicContact CG1-CZ 4.38Å; V1087-F1099 HydrophobicContact CG2-CE1 3.9Å; V1087-F1099 HydrophobicContact CG2-CE2 4.14Å; V1087-F1099 HydrophobicContact CG2-CZ 3.59Å; V1087-F1099 PolarHBondContact N-O 2.85Å; V1087-F1099 PolarHBondContact O-N 3.31Å; V1087-F1122 HydrophobicContact CG1-CE2 4.24Å; V1087-F1122 HydrophobicContact CG1-CZ 4.06Å; V1087-L1132 HydrophobicContact CG1-CD1 3.73Å; V1087-R1133 WeakPolarHBondContact CA-O 3.47Å; V1087-F1134 HydrophobicContact CB-CD1 4.49Å; V1087-F1134 HydrophobicContact CG1-CD1 4.18Å; V1087-F1134 HydrophobicContact CG1-CE1 3.96Å; V1087-F1134 HydrophobicContact CG2-CD1 3.7Å; V1087-F1134 HydrophobicContact CG2-CE1 3.91Å
1088	E	94.9	Very high	88.1	Confident	20 Å²	20	30.4 Å²	30.4	9%	0.093	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	141.7	179.6	66.6	177.1	173.6	0	0	111.7	K1019 C1090 N1097 K1098 R1133	K1019-E1088 VanDerWaalsContact CE-OE1 3.31Å; K1019-E1088 WeakPolarHBondContact CE-OE1 3.43Å; K1019-E1088 IonicContact NZ-OE1 2.6Å; K1019-E1088 PolarHBondContact NZ-OE1 2.77Å; K1019-E1088 IonicContact NZ-OE2 3.63Å; K1019-E1088 PolarHBondContact NZ-OE2 2.81Å; E1088-C1090 VanDerWaalsContact CD-SG 3.57Å; E1088-C1090 PolarHBondContact OE1-SG 2.99Å; E1088-N1097 WeakPolarHBondContact CA-O 3.44Å; E1088-K1098 HydrophobicContact CB-CB 3.61Å; E1088-R1133 HydrophobicContact CG-CB 3.85Å; E1088-R1133 HydrophobicContact CG-CG 4.06Å; E1088-R1133 PolarHBondContact N-O 3.42Å; E1088-R1133 PolarHBondContact O-N 3.32Å; E1088-R1133 WeakPolarHBondContact OE1-CD 3.31Å; E1088-R1133 IonicContact OE1-NE 4Å; E1088-R1133 PolarHBondContact OE1-NE 3.11Å
1089	I	94.3	Very high	88.8	Confident	2 Å²	2	28.1 Å²	28.1	1%	0.01	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	118.9	160.5	-60.5	-60.2	0	0	0	106.9	D1095 N1096 N1097 F1122 I1124 F1131 L1132 I1155	I1089-D1095 HydrophobicContact CG2-CB 4.17Å; I1089-D1095 WeakPolarHBondContact CG2-O 3.22Å; I1089-N1096 WeakPolarHBondContact O-CA 3.44Å; I1089-N1096 PolarHBondContact O-OD1 3.25Å; I1089-N1097 PolarHBondContact N-O 3.45Å; I1089-F1122 HydrophobicContact CD1-CB 4.37Å; I1089-F1122 HydrophobicContact CD1-CD1 4.49Å; I1089-F1122 HydrophobicContact CD1-CD2 4.45Å; I1089-F1122 HydrophobicContact CD1-CG 4.22Å; I1089-F1122 HydrophobicContact CG1-CB 3.83Å; I1089-F1122 HydrophobicContact CG1-CD1 3.53Å; I1089-F1122 HydrophobicContact CG1-CD2 4.3Å; I1089-F1122 HydrophobicContact CG1-CE1 4.05Å; I1089-F1122 HydrophobicContact CG1-CG 3.64Å; I1089-I1124 HydrophobicContact CD1-CD1 4.04Å; I1089-I1124 HydrophobicContact CG1-CD1 4.48Å; I1089-I1124 HydrophobicContact CG2-CG1 4.38Å; I1089-F1131 CarbonylContact C-O 3.55Å; I1089-F1131 WeakPolarHBondContact CA-O 3.38Å; I1089-L1132 HydrophobicContact CD1-CB 4.43Å; I1089-L1132 HydrophobicContact CD1-CD1 3.76Å; I1089-I1155 HydrophobicContact CD1-CD1 3.95Å
1090	C	91.6	Very high	89.3	Confident	5 Å²	5	32.4 Å²	32.4	3%	0.034	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	110.5	169.4	-60.9	0	0	0	0	107.4	K1019 L1023 E1088 F1131	K1019-C1090 VanDerWaalsContact CE-SG 3.57Å; L1023-C1090 HydrophobicContact CD1-CB 4.44Å; L1023-C1090 HydrophobicContact CD2-CB 3.81Å; E1088-C1090 VanDerWaalsContact CD-SG 3.57Å; E1088-C1090 PolarHBondContact OE1-SG 2.99Å; C1090-F1131 HydrophobicContact CB-CB 4.23Å; C1090-F1131 PolarHBondContact N-O 3.09Å; C1090-F1131 WeakPolarHBondContact O-CD2 3.38Å; C1090-F1131 PolarHBondContact O-N 3.08Å
1091	G	83.6	Confident	89.5	Confident	4 Å²	4	33.2 Å²	33.2	4%	0.041	16%	0.16	C	C	.	.	S	Bend	trans	-152.5	-153	-176.2	0	0	0	0	0	110.5	F1000 N1096	F1000-G1091 VanDerWaalsContact CD1-O 3.3Å; F1000-G1091 WeakPolarHBondContact CD1-O 3.44Å; F1000-G1091 VanDerWaalsContact CE1-O 3.23Å; F1000-G1091 WeakPolarHBondContact CE1-O 3.24Å; F1000-G1091 VanDerWaalsContact CE2-CA 3.41Å; G1091-N1096 PolarHBondContact N-OD1 3.22Å; G1091-N1096 PolarHBondContact O-OD1 2.94Å
1092	A	79.3	Confident	89.7	Confident	2 Å²	2	37.7 Å²	37.7	2%	0.017	19%	0.187	C	C	.	.	S	Bend	trans	-61.3	160.5	169.7	0	0	0	0	0	109.3	F1000 L1004 Y1094 D1095 N1096	F1000-A1092 HydrophobicContact CE1-CB 3.97Å; L1004-A1092 HydrophobicContact CD1-CB 4.18Å; A1092-Y1094 HydrophobicContact CB-CD1 3.95Å; A1092-Y1094 HydrophobicContact CB-CD2 3.96Å; A1092-Y1094 HydrophobicContact CB-CE1 3.5Å; A1092-Y1094 HydrophobicContact CB-CE2 3.48Å; A1092-Y1094 VanDerWaalsContact CB-CE2 3.48Å; A1092-Y1094 HydrophobicContact CB-CG 4.18Å; A1092-Y1094 PolarHBondContact O-N 3.43Å; A1092-D1095 PolarHBondContact N-OD2 3.18Å; A1092-D1095 PolarHBondContact O-N 2.93Å; A1092-N1096 PolarHBondContact O-N 3.19Å; A1092-N1096 VanDerWaalsContact O-N 3.17Å
1093	E	76.8	Confident	89.7	Confident	118 Å²	118	38.9 Å²	38.9	55%	0.551	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-30.7	-178.2	-70.6	-179	159.6	0	0	113	R1001	R1001-E1093 IonicContact CZ-OE1 2.66Å; R1001-E1093 IonicContact NH1-OE1 2.7Å; R1001-E1093 PolarHBondContact NH1-OE1 3.14Å; R1001-E1093 IonicContact NH2-OE1 3.71Å; R1001-E1093 PolarHBondContact NH2-OE1 3.01Å
1094	Y	75.8	Confident	89.6	Confident	44 Å²	44	40.1 Å²	40.1	17%	0.173	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-14.9	178.5	51.4	-104.2	0	0	0	115.2	P1052 A1092 Y1125	P1052-Y1094 HydrophobicContact CG-CE1 4.44Å; A1092-Y1094 HydrophobicContact CB-CD1 3.95Å; A1092-Y1094 HydrophobicContact CB-CD2 3.96Å; A1092-Y1094 HydrophobicContact CB-CE1 3.5Å; A1092-Y1094 HydrophobicContact CB-CE2 3.48Å; A1092-Y1094 VanDerWaalsContact CB-CE2 3.48Å; A1092-Y1094 HydrophobicContact CB-CG 4.18Å; A1092-Y1094 PolarHBondContact O-N 3.43Å; Y1094-Y1125 AromaticContact CD2-CD2 3.94Å; Y1094-Y1125 HydrophobicContact CD2-CD2 3.94Å; Y1094-Y1125 HydrophobicContact CD2-CG 4.05Å; Y1094-Y1125 HydrophobicContact CE2-CG 4.3Å
1095	D	78.4	Confident	89.3	Confident	2 Å²	2	45 Å²	45	1%	0.011	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-19.9	171.4	-64.1	-45.1	0	0	0	111.6	I1089 A1092 N1097 Y1125	I1089-D1095 HydrophobicContact CG2-CB 4.17Å; I1089-D1095 WeakPolarHBondContact CG2-O 3.22Å; A1092-D1095 PolarHBondContact N-OD2 3.18Å; A1092-D1095 PolarHBondContact O-N 2.93Å; D1095-N1097 PolarHBondContact O-N 2.82Å; D1095-Y1125 WeakPolarHBondContact OD1-CB 3.5Å; D1095-Y1125 WeakPolarHBondContact OD1-CD2 3.48Å; D1095-Y1125 PolarHBondContact OD1-N 3.14Å
1096	N	81.6	Confident	89	Confident	85 Å²	85	45.8 Å²	45.8	46%	0.455	23%	0.233	S	C	.	.			trans	-67.2	108.5	-172.9	-74.3	-21.5	0	0	0	111.4	I1089 G1091 A1092	I1089-N1096 WeakPolarHBondContact O-CA 3.44Å; I1089-N1096 PolarHBondContact O-OD1 3.25Å; G1091-N1096 PolarHBondContact N-OD1 3.22Å; G1091-N1096 PolarHBondContact O-OD1 2.94Å; A1092-N1096 PolarHBondContact O-N 3.19Å; A1092-N1096 VanDerWaalsContact O-N 3.17Å
1097	N	85.8	Confident	88.8	Confident	82 Å²	82	46 Å²	46	44%	0.439	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	146.8	175	-168.1	-11.6	0	0	0	108.9	E1088 I1089 D1095 F1122	E1088-N1097 WeakPolarHBondContact CA-O 3.44Å; I1089-N1097 PolarHBondContact N-O 3.45Å; D1095-N1097 PolarHBondContact O-N 2.82Å; N1097-F1122 HydrophobicContact CB-CD1 4.01Å; N1097-F1122 HydrophobicContact CB-CE1 4.3Å
1098	K	91.6	Very high	88.8	Confident	120 Å²	120	46 Å²	46	52%	0.522	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	147.9	-177.7	67	-179.2	-176.4	171.3	0	112.1	E1086 V1087 E1088	E1086-K1098 IonicContact OE2-NZ 2.89Å; V1087-K1098 CarbonylContact O-C 3.58Å; V1087-K1098 WeakPolarHBondContact O-CA 3.24Å; E1088-K1098 HydrophobicContact CB-CB 3.61Å
1099	F	92.6	Very high	88.8	Confident	36 Å²	36	45.1 Å²	45.1	16%	0.158	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	162.2	167.5	77.2	-89.9	0	0	0	110.7	V1067 E1086 V1087 T1101 V1120 F1122	V1067-F1099 HydrophobicContact CG2-CZ 4.46Å; E1086-F1099 WeakPolarHBondContact CA-O 3.41Å; V1087-F1099 HydrophobicContact CB-CD1 3.97Å; V1087-F1099 HydrophobicContact CB-CE1 3.49Å; V1087-F1099 VanDerWaalsContact CB-CE1 3.49Å; V1087-F1099 HydrophobicContact CB-CE2 4.44Å; V1087-F1099 HydrophobicContact CB-CZ 3.75Å; V1087-F1099 HydrophobicContact CG1-CE1 3.91Å; V1087-F1099 HydrophobicContact CG1-CZ 4.38Å; V1087-F1099 HydrophobicContact CG2-CE1 3.9Å; V1087-F1099 HydrophobicContact CG2-CE2 4.14Å; V1087-F1099 HydrophobicContact CG2-CZ 3.59Å; V1087-F1099 PolarHBondContact N-O 2.85Å; V1087-F1099 PolarHBondContact O-N 3.31Å; F1099-T1101 HydrophobicContact CE2-CG2 4.39Å; F1099-V1120 HydrophobicContact CB-CG1 4.14Å; F1099-V1120 HydrophobicContact CB-CG2 4.2Å; F1099-V1120 HydrophobicContact CD1-CB 3.88Å; F1099-V1120 HydrophobicContact CD1-CG1 3.49Å; F1099-V1120 VanDerWaalsContact CD1-CG1 3.49Å; F1099-V1120 HydrophobicContact CD1-CG2 4.08Å; F1099-V1120 HydrophobicContact CD2-CG2 4.21Å; F1099-V1120 HydrophobicContact CE1-CB 4.1Å; F1099-V1120 HydrophobicContact CE1-CG1 4.1Å; F1099-V1120 HydrophobicContact CE1-CG2 4.48Å; F1099-V1120 HydrophobicContact CG-CB 4.24Å; F1099-V1120 HydrophobicContact CG-CG1 3.99Å; F1099-V1120 HydrophobicContact CG-CG2 3.92Å; F1099-F1122 HydrophobicContact CD1-CE1 4.26Å; F1099-F1122 HydrophobicContact CD1-CE2 4.1Å; F1099-F1122 AromaticContact CD1-CZ 3.44Å; F1099-F1122 HydrophobicContact CD1-CZ 3.44Å; F1099-F1122 VanDerWaalsContact CD1-CZ 3.44Å; F1099-F1122 AromaticContact CE1-CE2 3.79Å; F1099-F1122 HydrophobicContact CE1-CE2 3.79Å; F1099-F1122 AromaticContact CE1-CZ 3.56Å; F1099-F1122 HydrophobicContact CE1-CZ 3.56Å
1100	K	93.3	Very high	89	Confident	112 Å²	112	45 Å²	45	49%	0.487	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	141.5	176.9	-65.3	179.4	175.9	-173.3	0	109.5	F1084 V1085 E1086	F1084-K1100 HydrophobicContact CD2-CB 4.41Å; F1084-K1100 HydrophobicContact CD2-CD 4.5Å; F1084-K1100 HydrophobicContact CE2-CD 3.94Å; F1084-K1100 HydrophobicContact CE2-CG 4.33Å; V1085-K1100 CarbonylContact O-C 3.55Å; V1085-K1100 WeakPolarHBondContact O-CA 3.21Å; E1086-K1100 HydrophobicContact CB-CG 4.13Å; E1086-K1100 HydrophobicContact CG-CG 4.02Å; E1086-K1100 WeakPolarHBondContact OE2-CE 3.13Å; E1086-K1100 IonicContact OE2-NZ 3.71Å
1101	T	94	Very high	89.2	Confident	25 Å²	25	44.8 Å²	44.8	15%	0.153	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-74.2	169.2	168.2	67.7	0	0	0	0	110.3	V1067 V1085 F1099 W1113	V1067-T1101 HydrophobicContact CB-CG2 3.9Å; V1067-T1101 HydrophobicContact CG1-CG2 4.3Å; V1067-T1101 HydrophobicContact CG2-CG2 4.16Å; V1085-T1101 HydrophobicContact CB-CG2 4.05Å; V1085-T1101 PolarHBondContact N-OG1 3.06Å; V1085-T1101 PolarHBondContact O-N 2.82Å; F1099-T1101 HydrophobicContact CE2-CG2 4.39Å; T1101-W1113 HydrophobicContact CG2-CG 4.34Å; T1101-W1113 PolarHBondContact OG1-NE1 2.86Å; T1101-W1113 VanDerWaalsContact OG1-NE1 3.14Å
1102	T	93.1	Very high	89.8	Confident	94 Å²	94	46 Å²	46	58%	0.577	24%	0.235	S	C	*	.	P	Polyproline II helix	trans	-65.9	160.5	165.3	52.9	0	0	0	0	111.1	W1113	T1102-W1113 PolarHBondContact O-NE1 2.89Å
1103	V	94.2	Very high	90.4	Very high	41 Å²	41	46.3 Å²	46.3	25%	0.248	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-80.1	132.1	173.8	-179.6	0	0	0	0	109.4	C1082 F1084 E1139	C1082-V1103 HydrophobicContact CB-CG1 3.87Å; F1084-V1103 HydrophobicContact CB-CG2 4.05Å; F1084-V1103 HydrophobicContact CD1-CG2 3.99Å; F1084-V1103 HydrophobicContact CG-CG2 4.27Å; V1103-E1139 HydrophobicContact CG1-CB 4.07Å; V1103-E1139 HydrophobicContact CG2-CB 4.11Å
1104	V	93.7	Very high	90.6	Very high	27 Å²	27	46.4 Å²	46.4	16%	0.164	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-97.9	122.8	169	174.8	0	0	0	0	107.7	C1082 P1083 N1107 P1111 W1113	C1082-V1104 CarbonylContact C-O 3.45Å; C1082-V1104 VanDerWaalsContact C-O 3.25Å; C1082-V1104 WeakPolarHBondContact CA-O 3.38Å; P1083-V1104 WeakPolarHBondContact CD-O 3.47Å; P1083-V1104 HydrophobicContact CG-CB 4.44Å; P1083-V1104 PolarHBondContact O-N 2.73Å; V1104-N1107 HydrophobicContact CG1-CB 4.16Å; V1104-P1111 HydrophobicContact CB-CB 4.12Å; V1104-P1111 HydrophobicContact CG1-CB 3.82Å; V1104-P1111 HydrophobicContact CG2-CB 4.26Å; V1104-W1113 HydrophobicContact CG2-CD2 4.29Å; V1104-W1113 HydrophobicContact CG2-CG 4.23Å; V1104-W1113 HydrophobicContact CG2-CZ2 4.44Å
1105	N	91.1	Very high	90.2	Very high	115 Å²	115	47.2 Å²	47.2	62%	0.615	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	136.3	-175.8	-63.3	-36.5	0	0	0	112	N1107	N1105-N1107 VanDerWaalsContact C-N 3.3Å; N1105-N1107 PolarHBondContact O-N 2.83Å
1106	D	90.4	Very high	89.5	Confident	16 Å²	16	51 Å²	51	9%	0.086	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	50	38.6	170.2	-55.7	-36.5	0	0	0	115.8	K176 T707 I1080 C1082	K176-D1106 HydrophobicContact CB-CB 4.2Å; K176-D1106 WeakPolarHBondContact CB-O 3.39Å; K176-D1106 HydrophobicContact CD-CB 3.59Å; K176-D1106 WeakPolarHBondContact CD-OD2 3.25Å; K176-D1106 IonicContact NZ-OD2 2.86Å; K176-D1106 PolarHBondContact NZ-OD2 3.07Å; T707-D1106 VanDerWaalsContact CB-OD1 3.28Å; T707-D1106 WeakPolarHBondContact CB-OD1 3.36Å; T707-D1106 VanDerWaalsContact CB-OD2 3.32Å; T707-D1106 WeakPolarHBondContact CB-OD2 3.18Å; T707-D1106 PolarHBondContact OG1-OD1 3.17Å; I1080-D1106 HydrophobicContact CG2-CB 4.35Å; I1080-D1106 WeakPolarHBondContact CG2-O 3.08Å; C1082-D1106 PolarHBondContact SG-N 2.86Å
1107	N	93.1	Very high	88.3	Confident	15 Å²	15	53.2 Å²	53.2	8%	0.08	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-148.2	100.2	175.7	-172.8	-4.4	0	0	0	111.6	A1081 P1083 V1104 N1105 L1109 N1110 P1111	A1081-N1107 PolarHBondContact O-N 3.29Å; A1081-N1107 VanDerWaalsContact O-N 3.07Å; P1083-N1107 WeakPolarHBondContact CD-O 3.44Å; P1083-N1107 WeakPolarHBondContact CG-O 3.5Å; V1104-N1107 HydrophobicContact CG1-CB 4.16Å; N1105-N1107 VanDerWaalsContact C-N 3.3Å; N1105-N1107 PolarHBondContact O-N 2.83Å; N1107-L1109 PolarHBondContact OD1-N 3.3Å; N1107-L1109 VanDerWaalsContact OD1-N 3.15Å; N1107-N1110 PolarHBondContact ND2-OD1 2.95Å; N1107-N1110 PolarHBondContact OD1-N 3.42Å; N1107-N1110 PolarHBondContact OD1-OD1 3.14Å; N1107-N1110 VanDerWaalsContact OD1-OD1 3.11Å; N1107-P1111 WeakPolarHBondContact O-CB 3.3Å
1108	G	95.1	Very high	87	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.312	C	S	.	.	S	Bend	trans	-99.4	-13.8	169.3	0	0	0	0	0	113.8	N174 L1073	N174-G1108 PolarHBondContact O-N 2.88Å; L1073-G1108 VanDerWaalsContact CB-O 3.24Å; L1073-G1108 WeakPolarHBondContact CB-O 3.32Å; L1073-G1108 WeakPolarHBondContact CG-O 3.23Å; L1073-G1108 PolarHBondContact N-O 3.4Å
1109	L	96.8	Very high	85.8	Confident	2 Å²	2	56 Å²	56	1%	0.01	31%	0.311	C	S	.	.	S	Bend	trans	-74.5	-45	-176.3	-178.1	58.8	0	0	0	112.2	W145 V173 N174 F175 M210 R1071 H1072 N1107	W145-L1109 HydrophobicContact CH2-CD1 4.37Å; V173-L1109 HydrophobicContact CG2-CD2 4.36Å; V173-L1109 WeakPolarHBondContact O-CB 3.34Å; N174-L1109 PolarHBondContact O-N 3.36Å; N174-L1109 VanDerWaalsContact O-N 3.16Å; F175-L1109 HydrophobicContact CB-CB 4.04Å; F175-L1109 HydrophobicContact CB-CD2 3.74Å; F175-L1109 HydrophobicContact CD2-CB 4.31Å; F175-L1109 HydrophobicContact CD2-CD2 3.93Å; F175-L1109 HydrophobicContact CG-CD2 4.08Å; M210-L1109 HydrophobicContact SD-CD1 4.41Å; M210-L1109 HydrophobicContact SD-CD2 4.2Å; M210-L1109 HydrophobicContact SD-CG 3.96Å; R1071-L1109 CarbonylContact C-O 3.46Å; R1071-L1109 VanDerWaalsContact CA-O 3.26Å; R1071-L1109 WeakPolarHBondContact CA-O 3.23Å; H1072-L1109 PolarHBondContact N-O 3.46Å; N1107-L1109 PolarHBondContact OD1-N 3.3Å; N1107-L1109 VanDerWaalsContact OD1-N 3.15Å
1110	N	96.6	Very high	85.2	Confident	0 Å²	0	56 Å²	56	0%	0	31%	0.314	C	S	.	.	S	Bend	trans	-152.1	48.2	-172.8	56.3	11	0	0	0	114	I209 M210 Q213 Q214 A1070 N1107	I209-N1110 PolarHBondContact O-ND2 3.48Å; M210-N1110 HydrophobicContact CE-CB 3.83Å; M210-N1110 HydrophobicContact SD-CB 3.76Å; Q213-N1110 WeakPolarHBondContact CG-O 2.88Å; Q214-N1110 HydrophobicContact CG-CB 4.28Å; A1070-N1110 CarbonylContact O-C 3.45Å; A1070-N1110 WeakPolarHBondContact O-CA 3.25Å; N1107-N1110 PolarHBondContact ND2-OD1 2.95Å; N1107-N1110 PolarHBondContact OD1-N 3.42Å; N1107-N1110 PolarHBondContact OD1-OD1 3.14Å; N1107-N1110 VanDerWaalsContact OD1-OD1 3.11Å
1111	P	96.4	Very high	85	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	32%	0.316	C	S	.	.			trans	-64.3	151.2	-179.8	29.8	-36.7	0	0	0	112.3	G1069 A1070 L1073 P1083 V1104 N1107 W1113	G1069-P1111 CarbonylContact C-O 3.59Å; G1069-P1111 WeakPolarHBondContact CA-O 3.38Å; A1070-P1111 HydrophobicContact CB-CG 3.82Å; A1070-P1111 PolarHBondContact N-O 3.47Å; A1070-P1111 WeakPolarHBondContact O-CD 3.01Å; L1073-P1111 HydrophobicContact CD1-CG 3.95Å; P1083-P1111 HydrophobicContact CG-CB 4.16Å; P1083-P1111 HydrophobicContact CG-CG 4.01Å; V1104-P1111 HydrophobicContact CB-CB 4.12Å; V1104-P1111 HydrophobicContact CG1-CB 3.82Å; V1104-P1111 HydrophobicContact CG2-CB 4.26Å; N1107-P1111 WeakPolarHBondContact O-CB 3.3Å; P1111-W1113 HydrophobicContact CB-CH2 4.14Å; P1111-W1113 HydrophobicContact CB-CZ2 4.4Å; P1111-W1113 HydrophobicContact CB-CZ3 4.39Å; P1111-W1113 HydrophobicContact CG-CH2 3.74Å; P1111-W1113 HydrophobicContact CG-CZ2 4.39Å; P1111-W1113 HydrophobicContact CG-CZ3 4.08Å
1112	V	95.8	Very high	84.8	Confident	31 Å²	31	55.3 Å²	55.3	19%	0.188	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-128.1	130.1	173.9	-178.9	0	0	0	0	107.4	Q214 I217 L1068	Q214-V1112 HydrophobicContact CB-CG2 4.26Å; Q214-V1112 HydrophobicContact CG-CG2 3.79Å; I217-V1112 HydrophobicContact CD1-CG1 4.45Å; I217-V1112 HydrophobicContact CD1-CG2 4.28Å; I217-V1112 HydrophobicContact CG1-CG1 4.03Å; I217-V1112 HydrophobicContact CG1-CG2 4.48Å; L1068-V1112 WeakPolarHBondContact O-CA 3.2Å; L1068-V1112 WeakPolarHBondContact O-CG1 3.2Å
1113	W	93.1	Very high	84.7	Confident	7 Å²	7	55.7 Å²	55.7	3%	0.027	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-96.8	137	175.2	-72.8	-85.1	0	0	0	109.9	V1067 L1068 A1070 L1073 P1083 V1085 T1101 T1102 V1104 P1111	V1067-W1113 HydrophobicContact CG1-CD2 4.43Å; V1067-W1113 HydrophobicContact CG1-CE3 3.83Å; V1067-W1113 HydrophobicContact CG1-CZ3 4.22Å; L1068-W1113 PolarHBondContact O-N 2.97Å; A1070-W1113 HydrophobicContact CB-CH2 3.97Å; A1070-W1113 HydrophobicContact CB-CZ3 3.77Å; L1073-W1113 HydrophobicContact CD1-CH2 4.46Å; P1083-W1113 HydrophobicContact CB-CH2 4.47Å; P1083-W1113 HydrophobicContact CB-CZ2 4.07Å; P1083-W1113 HydrophobicContact CG-CZ2 4.14Å; V1085-W1113 HydrophobicContact CG2-CH2 3.72Å; V1085-W1113 HydrophobicContact CG2-CZ2 3.89Å; V1085-W1113 HydrophobicContact CG2-CZ3 4.1Å; T1101-W1113 HydrophobicContact CG2-CG 4.34Å; T1101-W1113 PolarHBondContact OG1-NE1 2.86Å; T1101-W1113 VanDerWaalsContact OG1-NE1 3.14Å; T1102-W1113 PolarHBondContact O-NE1 2.89Å; V1104-W1113 HydrophobicContact CG2-CD2 4.29Å; V1104-W1113 HydrophobicContact CG2-CG 4.23Å; V1104-W1113 HydrophobicContact CG2-CZ2 4.44Å; P1111-W1113 HydrophobicContact CB-CH2 4.14Å; P1111-W1113 HydrophobicContact CB-CZ2 4.4Å; P1111-W1113 HydrophobicContact CB-CZ3 4.39Å; P1111-W1113 HydrophobicContact CG-CH2 3.74Å; P1111-W1113 HydrophobicContact CG-CZ2 4.39Å; P1111-W1113 HydrophobicContact CG-CZ3 4.08Å
1114	V	80.1	Confident	84.5	Confident	121 Å²	121	53.7 Å²	53.7	73%	0.733	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-68.7	134.6	175.6	-178	0	0	0	0	108.4	C1116	V1114-C1116 PolarHBondContact O-N 3.36Å
1115	P	67.6	Low	84.2	Confident	61 Å²	61	55 Å²	55	40%	0.396	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-55.5	127.8	176.7	-24.6	33.1	0	0	0	111.2
1116	C	63.3	Low	83.9	Confident	82 Å²	82	50 Å²	50	55%	0.554	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-66	130.8	170.2	-167.3	0	0	0	0	108.6	V1114 E1118	V1114-C1116 PolarHBondContact O-N 3.36Å; C1116-E1118 PolarHBondContact O-N 2.89Å
1117	P	56.9	Low	83.7	Confident	130 Å²	130	50.3 Å²	50.3	84%	0.844	27%	0.271	S	S	*	.	S	Bend	trans	-64.7	-23.7	178	23.4	-32.1	0	0	0	112.8
1118	E	58.7	Low	83.3	Confident	154 Å²	154	51.3 Å²	51.3	72%	0.72	28%	0.276	S	S	*	.	S	Bend	trans	-92.3	114.5	171.8	-67.7	-179.9	179.2	0	0	109.3	C1116 V1120	C1116-E1118 PolarHBondContact O-N 2.89Å; E1118-V1120 PolarHBondContact O-N 2.72Å; E1118-V1120 VanDerWaalsContact O-N 3.16Å
1119	Q	66.6	Low	83	Confident	107 Å²	107	51.4 Å²	51.4	50%	0.5	28%	0.277	S	S	.	.			trans	-66.1	113.2	171.9	-72.1	-177.9	-3.9	0	0	109	T1064 K1121	T1064-Q1119 HydrophobicContact CG2-CB 4.11Å; Q1119-K1121 PolarHBondContact O-N 3.42Å
1120	V	79.9	Confident	82.8	Confident	36 Å²	36	51.4 Å²	51.4	22%	0.218	28%	0.277	C	S	.	.			trans	-73.5	115.8	177	-173.7	0	0	0	0	109.3	F1099 E1118 F1122	F1099-V1120 HydrophobicContact CB-CG1 4.14Å; F1099-V1120 HydrophobicContact CB-CG2 4.2Å; F1099-V1120 HydrophobicContact CD1-CB 3.88Å; F1099-V1120 HydrophobicContact CD1-CG1 3.49Å; F1099-V1120 VanDerWaalsContact CD1-CG1 3.49Å; F1099-V1120 HydrophobicContact CD1-CG2 4.08Å; F1099-V1120 HydrophobicContact CD2-CG2 4.21Å; F1099-V1120 HydrophobicContact CE1-CB 4.1Å; F1099-V1120 HydrophobicContact CE1-CG1 4.1Å; F1099-V1120 HydrophobicContact CE1-CG2 4.48Å; F1099-V1120 HydrophobicContact CG-CB 4.24Å; F1099-V1120 HydrophobicContact CG-CG1 3.99Å; F1099-V1120 HydrophobicContact CG-CG2 3.92Å; E1118-V1120 PolarHBondContact O-N 2.72Å; E1118-V1120 VanDerWaalsContact O-N 3.16Å; V1120-F1122 HydrophobicContact CG1-CE1 4.45Å; V1120-F1122 HydrophobicContact CG1-CZ 4.28Å
1121	K	87.9	Confident	82.8	Confident	121 Å²	121	51.5 Å²	51.5	53%	0.526	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	132.5	178	-62.1	-175.4	-178.2	-174.7	0	109.8	I1062 M1063 Q1119	I1062-K1121 HydrophobicContact CG2-CB 4.24Å; I1062-K1121 HydrophobicContact CG2-CD 4.4Å; M1063-K1121 CarbonylContact O-C 3.57Å; M1063-K1121 WeakPolarHBondContact O-CA 3.37Å; Q1119-K1121 PolarHBondContact O-N 3.42Å
1122	F	91	Very high	82.8	Confident	1 Å²	1	51.5 Å²	51.5	0%	0.004	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	123.4	173.6	-60.8	-74.4	0	0	0	109.4	I1062 M1063 V1065 V1087 I1089 N1097 F1099 V1120	I1062-F1122 CarbonylContact C-O 3.47Å; I1062-F1122 WeakPolarHBondContact CA-O 3.23Å; M1063-F1122 HydrophobicContact CB-CB 4.37Å; M1063-F1122 PolarHBondContact N-O 2.86Å; M1063-F1122 PolarHBondContact O-N 2.68Å; V1065-F1122 HydrophobicContact CB-CE2 4.03Å; V1065-F1122 HydrophobicContact CG2-CD2 4.1Å; V1065-F1122 HydrophobicContact CG2-CE2 3.88Å; V1087-F1122 HydrophobicContact CG1-CE2 4.24Å; V1087-F1122 HydrophobicContact CG1-CZ 4.06Å; I1089-F1122 HydrophobicContact CD1-CB 4.37Å; I1089-F1122 HydrophobicContact CD1-CD1 4.49Å; I1089-F1122 HydrophobicContact CD1-CD2 4.45Å; I1089-F1122 HydrophobicContact CD1-CG 4.22Å; I1089-F1122 HydrophobicContact CG1-CB 3.83Å; I1089-F1122 HydrophobicContact CG1-CD1 3.53Å; I1089-F1122 HydrophobicContact CG1-CD2 4.3Å; I1089-F1122 HydrophobicContact CG1-CE1 4.05Å; I1089-F1122 HydrophobicContact CG1-CG 3.64Å; N1097-F1122 HydrophobicContact CB-CD1 4.01Å; N1097-F1122 HydrophobicContact CB-CE1 4.3Å; F1099-F1122 HydrophobicContact CD1-CE1 4.26Å; F1099-F1122 HydrophobicContact CD1-CE2 4.1Å; F1099-F1122 AromaticContact CD1-CZ 3.44Å; F1099-F1122 HydrophobicContact CD1-CZ 3.44Å; F1099-F1122 VanDerWaalsContact CD1-CZ 3.44Å; F1099-F1122 AromaticContact CE1-CE2 3.79Å; F1099-F1122 HydrophobicContact CE1-CE2 3.79Å; F1099-F1122 AromaticContact CE1-CZ 3.56Å; F1099-F1122 HydrophobicContact CE1-CZ 3.56Å; V1120-F1122 HydrophobicContact CG1-CE1 4.45Å; V1120-F1122 HydrophobicContact CG1-CZ 4.28Å
1123	E	90.6	Very high	82.9	Confident	102 Å²	102	50.5 Å²	50.5	48%	0.477	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	121.4	171.4	-71.1	-178.4	-174.9	0	0	108.8	L1059 Y1125	L1059-E1123 HydrophobicContact CD1-CB 3.65Å; L1059-E1123 HydrophobicContact CD1-CG 4.08Å; E1123-Y1125 HydrophobicContact CB-CE2 4.07Å; E1123-Y1125 PolarHBondContact OE2-OH 3.09Å; E1123-Y1125 VanDerWaalsContact OE2-OH 3.08Å
1124	I	90.2	Very high	83.1	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	119.5	-176.2	-63.7	162.6	0	0	0	108.9	Q1060 M1061 M1063 I1089 P1127 A1130 I1155	Q1060-I1124 PolarHBondContact N-O 3.01Å; Q1060-I1124 VanDerWaalsContact N-O 3.07Å; M1061-I1124 HydrophobicContact CB-CB 4.39Å; M1061-I1124 HydrophobicContact CE-CB 4.26Å; M1061-I1124 HydrophobicContact CE-CD1 3.34Å; M1061-I1124 HydrophobicContact CE-CG1 4.37Å; M1061-I1124 HydrophobicContact CE-CG2 4.43Å; M1061-I1124 PolarHBondContact N-O 3.02Å; M1061-I1124 PolarHBondContact O-N 3.15Å; M1063-I1124 HydrophobicContact CB-CD1 4.14Å; M1063-I1124 HydrophobicContact CE-CD1 4Å; I1089-I1124 HydrophobicContact CD1-CD1 4.04Å; I1089-I1124 HydrophobicContact CG1-CD1 4.48Å; I1089-I1124 HydrophobicContact CG2-CG1 4.38Å; I1124-P1127 HydrophobicContact CG2-CB 4Å; I1124-A1130 HydrophobicContact CG2-CB 4.21Å; I1124-I1155 HydrophobicContact CD1-CD1 3.95Å; I1124-I1155 HydrophobicContact CD1-CG1 4.47Å
1125	Y	86.5	Confident	84	Confident	55 Å²	55	44.4 Å²	44.4	22%	0.216	23%	0.234	C	C	.	.	S	Bend	trans	-95.8	-33.6	-176	-64.6	-96	0	0	0	111.9	R1057 L1059 Q1060 Y1094 D1095 E1123	R1057-Y1125 HydrophobicContact CB-CD1 3.73Å; R1057-Y1125 HydrophobicContact CB-CE1 3.94Å; L1059-Y1125 HydrophobicContact CB-CD1 4.44Å; L1059-Y1125 HydrophobicContact CB-CE1 4.19Å; L1059-Y1125 HydrophobicContact CD1-CE1 4.47Å; L1059-Y1125 HydrophobicContact CD1-CE2 4.42Å; Q1060-Y1125 VanDerWaalsContact CG-O 3.31Å; Q1060-Y1125 WeakPolarHBondContact CG-O 3.36Å; Q1060-Y1125 PolarHBondContact NE2-O 3.05Å; Y1094-Y1125 AromaticContact CD2-CD2 3.94Å; Y1094-Y1125 HydrophobicContact CD2-CD2 3.94Å; Y1094-Y1125 HydrophobicContact CD2-CG 4.05Å; Y1094-Y1125 HydrophobicContact CE2-CG 4.3Å; D1095-Y1125 WeakPolarHBondContact OD1-CB 3.5Å; D1095-Y1125 WeakPolarHBondContact OD1-CD2 3.48Å; D1095-Y1125 PolarHBondContact OD1-N 3.14Å; E1123-Y1125 HydrophobicContact CB-CE2 4.07Å; E1123-Y1125 PolarHBondContact OE2-OH 3.09Å; E1123-Y1125 VanDerWaalsContact OE2-OH 3.08Å
1126	D	84.8	Confident	85.4	Confident	8 Å²	8	41.5 Å²	41.5	4%	0.043	22%	0.215	C	C	.	.			trans	-125.9	85.6	171.9	-162.6	-18.6	0	0	0	112	Y1048 N1128 L1129 A1130	Y1048-D1126 PolarHBondContact OH-OD2 3.37Å; D1126-N1128 PolarHBondContact O-N 3.3Å; D1126-N1128 WeakPolarHBondContact OD1-CB 3.24Å; D1126-N1128 PolarHBondContact OD1-N 3.43Å; D1126-L1129 PolarHBondContact O-N 2.89Å; D1126-A1130 WeakPolarHBondContact O-CB 3.37Å
1127	P	86.9	Confident	87	Confident	23 Å²	23	39.9 Å²	39.9	15%	0.149	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-69.4	-14.4	-177.2	28.9	-34.7	0	0	0	113.4	Q1060 I1124 I1155	Q1060-P1127 HydrophobicContact CB-CG 4.09Å; I1124-P1127 HydrophobicContact CG2-CB 4Å; P1127-I1155 HydrophobicContact CB-CG2 4.11Å
1128	N	84.5	Confident	88.6	Confident	37 Å²	37	34.6 Å²	34.6	20%	0.198	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-77	-27.2	-176.8	-85	-36.1	0	0	0	112.9	P1040 D1126 E1194	P1040-N1128 HydrophobicContact CB-CB 4.06Å; P1040-N1128 HydrophobicContact CG-CB 3.59Å; D1126-N1128 PolarHBondContact O-N 3.3Å; D1126-N1128 WeakPolarHBondContact OD1-CB 3.24Å; D1126-N1128 PolarHBondContact OD1-N 3.43Å; N1128-E1194 PolarHBondContact ND2-OE2 3.37Å
1129	L	88.4	Confident	90	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.01	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-130	55.7	172.8	-170.5	65.6	0	0	0	109.2	W322 F1000 W1003 L1004 L1027 D1126 F1131	W322-L1129 HydrophobicContact CH2-CB 4.34Å; W322-L1129 HydrophobicContact CH2-CD1 3.66Å; W322-L1129 HydrophobicContact CH2-CD2 4.35Å; W322-L1129 HydrophobicContact CH2-CG 4.32Å; W322-L1129 HydrophobicContact CZ2-CD1 3.92Å; W322-L1129 HydrophobicContact CZ2-CD2 4Å; W322-L1129 HydrophobicContact CZ2-CG 4.43Å; W322-L1129 HydrophobicContact CZ3-CD1 4.15Å; F1000-L1129 HydrophobicContact CE2-CD2 4.23Å; F1000-L1129 HydrophobicContact CE2-CG 3.81Å; F1000-L1129 WeakPolarHBondContact CE2-O 3.17Å; F1000-L1129 HydrophobicContact CZ-CD2 4.12Å; F1000-L1129 HydrophobicContact CZ-CG 3.98Å; F1000-L1129 WeakPolarHBondContact CZ-O 3.38Å; W1003-L1129 HydrophobicContact CB-CD1 4.33Å; W1003-L1129 HydrophobicContact CB-CD2 3.72Å; W1003-L1129 HydrophobicContact CE3-CD1 4.38Å; L1004-L1129 HydrophobicContact CD2-CD2 3.86Å; L1004-L1129 HydrophobicContact CG-CD2 3.98Å; L1027-L1129 HydrophobicContact CD1-CD1 4.39Å; D1126-L1129 PolarHBondContact O-N 2.89Å; L1129-F1131 HydrophobicContact CD1-CE2 4.24Å; L1129-F1131 HydrophobicContact CD1-CZ 4.27Å
1130	A	92.6	Very high	90.6	Very high	2 Å²	2	26.7 Å²	26.7	2%	0.017	13%	0.126	C	C	.	.			trans	-128.3	152.4	170.4	0	0	0	0	0	109.7	I1124 D1126 I1155	I1124-A1130 HydrophobicContact CG2-CB 4.21Å; D1126-A1130 WeakPolarHBondContact O-CB 3.37Å; A1130-I1155 VanDerWaalsContact C-CG1 3.47Å; A1130-I1155 HydrophobicContact CB-CB 4.4Å; A1130-I1155 HydrophobicContact CB-CG1 3.74Å; A1130-I1155 WeakPolarHBondContact O-CB 3.41Å; A1130-I1155 VanDerWaalsContact O-CG1 3.26Å; A1130-I1155 WeakPolarHBondContact O-CG1 3.47Å; A1130-I1155 PolarHBondContact O-N 3.21Å
1131	F	95.9	Very high	90.3	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.009	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	135.3	-178.3	-54.3	-94.5	0	0	0	110.5	F1000 W1003 L1023 A1026 L1027 I1089 C1090 L1129 T1152 F1153 P1154	F1000-F1131 HydrophobicContact CD2-CE2 4.38Å; F1000-F1131 HydrophobicContact CE2-CD2 4.49Å; F1000-F1131 HydrophobicContact CE2-CE2 4.24Å; W1003-F1131 HydrophobicContact CZ3-CE2 4.38Å; W1003-F1131 HydrophobicContact CZ3-CZ 4.27Å; L1023-F1131 HydrophobicContact CD2-CB 3.97Å; L1023-F1131 HydrophobicContact CD2-CD1 4.39Å; L1023-F1131 HydrophobicContact CD2-CD2 3.94Å; L1023-F1131 HydrophobicContact CD2-CG 3.84Å; A1026-F1131 HydrophobicContact CB-CD1 3.95Å; A1026-F1131 HydrophobicContact CB-CE1 4.16Å; L1027-F1131 HydrophobicContact CB-CE1 3.9Å; L1027-F1131 HydrophobicContact CB-CZ 3.89Å; L1027-F1131 HydrophobicContact CD1-CE1 4.46Å; L1027-F1131 HydrophobicContact CD1-CZ 4.14Å; L1027-F1131 HydrophobicContact CG-CZ 4.48Å; I1089-F1131 CarbonylContact C-O 3.55Å; I1089-F1131 WeakPolarHBondContact CA-O 3.38Å; C1090-F1131 HydrophobicContact CB-CB 4.23Å; C1090-F1131 PolarHBondContact N-O 3.09Å; C1090-F1131 WeakPolarHBondContact O-CD2 3.38Å; C1090-F1131 PolarHBondContact O-N 3.08Å; L1129-F1131 HydrophobicContact CD1-CE2 4.24Å; L1129-F1131 HydrophobicContact CD1-CZ 4.27Å; F1131-T1152 HydrophobicContact CB-CG2 4.14Å; F1131-F1153 CarbonylContact C-O 3.51Å; F1131-F1153 VanDerWaalsContact CA-O 3.23Å; F1131-F1153 WeakPolarHBondContact CA-O 3.07Å; F1131-P1154 HydrophobicContact CD1-CB 4.32Å; F1131-P1154 HydrophobicContact CD1-CG 4.14Å; F1131-P1154 HydrophobicContact CE1-CB 4.35Å; F1131-P1154 HydrophobicContact CE1-CG 4.02Å
1132	L	96.6	Very high	89.6	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	122.6	165.6	-179.6	62.3	0	0	0	108.5	I301 M1063 V1065 V1087 I1089 F1134 T1152 F1153 I1155 I1158	I301-L1132 HydrophobicContact CD1-CD2 4.24Å; M1063-L1132 HydrophobicContact SD-CD1 4.41Å; M1063-L1132 HydrophobicContact SD-CD2 4Å; V1065-L1132 HydrophobicContact CG2-CD1 4.29Å; V1065-L1132 HydrophobicContact CG2-CD2 4.41Å; V1087-L1132 HydrophobicContact CG1-CD1 3.73Å; I1089-L1132 HydrophobicContact CD1-CB 4.43Å; I1089-L1132 HydrophobicContact CD1-CD1 3.76Å; L1132-F1134 HydrophobicContact CD1-CE2 4.43Å; L1132-F1134 HydrophobicContact CD1-CZ 4.32Å; L1132-F1134 HydrophobicContact CD2-CE2 3.59Å; L1132-F1134 HydrophobicContact CD2-CZ 3.62Å; L1132-F1134 HydrophobicContact CG-CD2 4.39Å; L1132-F1134 HydrophobicContact CG-CE2 3.62Å; L1132-F1134 HydrophobicContact CG-CZ 3.9Å; L1132-T1152 WeakPolarHBondContact O-CA 3.13Å; L1132-F1153 PolarHBondContact N-O 2.92Å; L1132-F1153 PolarHBondContact O-N 2.86Å; L1132-I1155 HydrophobicContact CB-CD1 3.76Å; L1132-I1158 HydrophobicContact CD2-CD1 3.94Å
1133	R	97.7	Very high	89	Confident	10 Å²	10	28.3 Å²	28.3	4%	0.038	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	125.2	-176.3	174.5	174.2	165.1	99.7	13.2	110.8	V1087 E1088 V1135 A1151 T1152	V1087-R1133 WeakPolarHBondContact CA-O 3.47Å; E1088-R1133 HydrophobicContact CG-CB 3.85Å; E1088-R1133 HydrophobicContact CG-CG 4.06Å; E1088-R1133 PolarHBondContact N-O 3.42Å; E1088-R1133 PolarHBondContact O-N 3.32Å; E1088-R1133 WeakPolarHBondContact OE1-CD 3.31Å; E1088-R1133 IonicContact OE1-NE 4Å; E1088-R1133 PolarHBondContact OE1-NE 3.11Å; R1133-V1135 HydrophobicContact CG-CG2 3.9Å; R1133-A1151 WeakPolarHBondContact CA-O 3.37Å; R1133-T1152 HydrophobicContact CB-CG2 3.99Å; R1133-T1152 HydrophobicContact CG-CG2 4.31Å
1134	F	98.2	Very high	88.5	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	128.4	171.3	-58.3	-91.6	0	0	0	108.2	I301 V1065 V1085 E1086 V1087 L1132 H1150 A1151 F1153 V1165 L1180 V1182	I301-F1134 HydrophobicContact CD1-CE2 4.39Å; I301-F1134 HydrophobicContact CD1-CZ 4.45Å; V1065-F1134 HydrophobicContact CG1-CE1 3.91Å; V1065-F1134 HydrophobicContact CG1-CZ 4.12Å; V1085-F1134 HydrophobicContact CG1-CD1 4.45Å; E1086-F1134 CarbonylContact O-C 3.44Å; E1086-F1134 WeakPolarHBondContact O-CA 3.47Å; V1087-F1134 HydrophobicContact CB-CD1 4.49Å; V1087-F1134 HydrophobicContact CG1-CD1 4.18Å; V1087-F1134 HydrophobicContact CG1-CE1 3.96Å; V1087-F1134 HydrophobicContact CG2-CD1 3.7Å; V1087-F1134 HydrophobicContact CG2-CE1 3.91Å; L1132-F1134 HydrophobicContact CD1-CE2 4.43Å; L1132-F1134 HydrophobicContact CD1-CZ 4.32Å; L1132-F1134 HydrophobicContact CD2-CE2 3.59Å; L1132-F1134 HydrophobicContact CD2-CZ 3.62Å; L1132-F1134 HydrophobicContact CG-CD2 4.39Å; L1132-F1134 HydrophobicContact CG-CE2 3.62Å; L1132-F1134 HydrophobicContact CG-CZ 3.9Å; F1134-H1150 CarbonylContact O-C 3.59Å; F1134-H1150 WeakPolarHBondContact O-CA 3.26Å; F1134-H1150 WeakPolarHBondContact O-CB 3.49Å; F1134-A1151 PolarHBondContact N-O 3.16Å; F1134-A1151 PolarHBondContact O-N 3.44Å; F1134-F1153 HydrophobicContact CD2-CE2 4.36Å; F1134-F1153 HydrophobicContact CE2-CD2 4.48Å; F1134-V1165 HydrophobicContact CD2-CG1 3.82Å; F1134-V1165 HydrophobicContact CE2-CG1 4.19Å; F1134-V1165 HydrophobicContact CE2-CG2 4.15Å; F1134-V1165 HydrophobicContact CG-CG1 4.24Å; F1134-V1165 HydrophobicContact CZ-CG2 4.24Å; F1134-L1180 HydrophobicContact CB-CD1 3.98Å; F1134-L1180 HydrophobicContact CD1-CD1 4.03Å; F1134-L1180 HydrophobicContact CG-CD1 4.23Å; F1134-V1182 HydrophobicContact CD1-CG1 4.45Å; F1134-V1182 HydrophobicContact CE1-CG1 3.81Å; F1134-V1182 HydrophobicContact CZ-CG1 4.27Å; F1134-V1182 HydrophobicContact CZ-CG2 4.39Å
1135	V	98.4	Very high	88.3	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	121.8	172.6	-167.9	0	0	0	0	108.3	V1085 E1086 R1133 Y1137 F1147 H1150	V1085-V1135 WeakPolarHBondContact CA-O 3.31Å; E1086-V1135 HydrophobicContact CB-CB 4.48Å; E1086-V1135 PolarHBondContact N-O 3.36Å; E1086-V1135 PolarHBondContact O-N 3.31Å; R1133-V1135 HydrophobicContact CG-CG2 3.9Å; V1135-Y1137 HydrophobicContact CB-CD2 4.31Å; V1135-Y1137 HydrophobicContact CB-CE2 3.69Å; V1135-Y1137 HydrophobicContact CG1-CD2 3.98Å; V1135-Y1137 HydrophobicContact CG1-CE1 4.03Å; V1135-Y1137 HydrophobicContact CG1-CE2 3.41Å; V1135-Y1137 VanDerWaalsContact CG1-CE2 3.41Å; V1135-Y1137 VanDerWaalsContact CG1-CZ 3.43Å; V1135-F1147 HydrophobicContact CG1-CD2 3.77Å; V1135-F1147 HydrophobicContact CG1-CE2 3.92Å; V1135-H1150 HydrophobicContact CG2-CB 4.48Å
1136	V	98.1	Very high	88.4	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	123.2	173.8	-169.6	0	0	0	0	107.4	L1073 P1083 V1085 L1148 A1149 L1167 L1180	L1073-V1136 HydrophobicContact CD1-CG1 3.92Å; L1073-V1136 HydrophobicContact CD2-CG1 4.02Å; L1073-V1136 HydrophobicContact CD2-CG2 4.3Å; P1083-V1136 HydrophobicContact CB-CG1 4.26Å; V1085-V1136 HydrophobicContact CG2-CG2 4.31Å; V1136-L1148 HydrophobicContact CB-CB 4.39Å; V1136-L1148 HydrophobicContact CG1-CB 4.34Å; V1136-L1148 HydrophobicContact CG1-CD1 4.19Å; V1136-L1148 WeakPolarHBondContact O-CB 3.38Å; V1136-L1148 PolarHBondContact O-N 3.02Å; V1136-A1149 HydrophobicContact CB-CB 4.47Å; V1136-A1149 PolarHBondContact N-O 3.01Å; V1136-A1149 PolarHBondContact O-N 2.89Å; V1136-L1167 HydrophobicContact CG2-CD1 3.87Å; V1136-L1167 HydrophobicContact CG2-CD2 3.94Å; V1136-L1180 HydrophobicContact CG2-CD1 4.28Å; V1136-L1180 HydrophobicContact CG2-CD2 3.95Å; V1136-L1180 HydrophobicContact CG2-CG 4.48Å
1137	Y	96.1	Very high	88.8	Confident	47 Å²	47	31.3 Å²	31.3	18%	0.184	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	155.2	172.2	-66.2	-83	0	0	0	109.1	P1083 F1084 E1086 V1135 P1145 N1146 F1147	P1083-Y1137 CarbonylContact C-O 3.54Å; P1083-Y1137 VanDerWaalsContact CA-O 3.23Å; P1083-Y1137 WeakPolarHBondContact CA-O 3.32Å; F1084-Y1137 HydrophobicContact CE1-CG 4.29Å; F1084-Y1137 AromaticContact CE2-CD2 3.73Å; F1084-Y1137 HydrophobicContact CE2-CD2 3.73Å; F1084-Y1137 HydrophobicContact CE2-CG 4.19Å; F1084-Y1137 AromaticContact CZ-CD2 3.78Å; F1084-Y1137 HydrophobicContact CZ-CD2 3.78Å; F1084-Y1137 AromaticContact CZ-CG 3.77Å; F1084-Y1137 HydrophobicContact CZ-CG 3.77Å; F1084-Y1137 PolarHBondContact N-O 3.05Å; F1084-Y1137 PolarHBondContact O-N 2.9Å; E1086-Y1137 HydrophobicContact CB-CD2 4.22Å; E1086-Y1137 HydrophobicContact CB-CE2 3.88Å; V1135-Y1137 HydrophobicContact CB-CD2 4.31Å; V1135-Y1137 HydrophobicContact CB-CE2 3.69Å; V1135-Y1137 HydrophobicContact CG1-CD2 3.98Å; V1135-Y1137 HydrophobicContact CG1-CE1 4.03Å; V1135-Y1137 HydrophobicContact CG1-CE2 3.41Å; V1135-Y1137 VanDerWaalsContact CG1-CE2 3.41Å; V1135-Y1137 VanDerWaalsContact CG1-CZ 3.43Å; Y1137-P1145 HydrophobicContact CD1-CB 4.09Å; Y1137-P1145 HydrophobicContact CG-CB 4.26Å; Y1137-N1146 CarbonylContact C-O 3.45Å; Y1137-N1146 WeakPolarHBondContact CA-O 3.31Å; Y1137-F1147 HydrophobicContact CD1-CB 4.47Å; Y1137-F1147 HydrophobicContact CE1-CB 4.37Å
1138	E	91.6	Very high	89.2	Confident	20 Å²	20	31 Å²	31	9%	0.093	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	148	152.6	62	147.5	-170.6	0	0	109.7	P1076 A1081 C1082 P1145 N1146 L1148	P1076-E1138 VanDerWaalsContact CB-CD 3.41Å; P1076-E1138 HydrophobicContact CB-CG 4.06Å; P1076-E1138 WeakPolarHBondContact CB-OE1 3.39Å; P1076-E1138 HydrophobicContact CG-CB 4.33Å; P1076-E1138 HydrophobicContact CG-CG 3.96Å; P1076-E1138 WeakPolarHBondContact CG-OE2 3.49Å; A1081-E1138 HydrophobicContact CB-CB 4.45Å; C1082-E1138 WeakPolarHBondContact O-CA 3.47Å; E1138-P1145 CarbonylContact O-C 3.53Å; E1138-P1145 WeakPolarHBondContact O-CA 3.49Å; E1138-N1146 HydrophobicContact CG-CB 3.76Å; E1138-N1146 PolarHBondContact N-O 3.16Å; E1138-N1146 PolarHBondContact O-N 3Å; E1138-N1146 PolarHBondContact OE1-ND2 2.68Å; E1138-L1148 HydrophobicContact CB-CD1 3.97Å; E1138-L1148 HydrophobicContact CB-CD2 4.39Å; E1138-L1148 HydrophobicContact CB-CG 4.18Å; E1138-L1148 HydrophobicContact CG-CD2 4.2Å; E1138-L1148 HydrophobicContact CG-CG 4.34Å
1139	E	88.3	Confident	89.8	Confident	70 Å²	70	29.3 Å²	29.3	33%	0.327	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	115	159.9	-172.3	170.9	-112.2	0	0	108.2	C1082 F1084 V1103	C1082-E1139 PolarHBondContact O-N 2.94Å; F1084-E1139 HydrophobicContact CD1-CB 4.42Å; F1084-E1139 HydrophobicContact CE1-CB 4.44Å; V1103-E1139 HydrophobicContact CG1-CB 4.07Å; V1103-E1139 HydrophobicContact CG2-CB 4.11Å
1140	D	77.7	Confident	90.3	Very high	24 Å²	24	29.3 Å²	29.3	13%	0.128	15%	0.153	C	C	.	.			trans	-76.8	179.9	177.1	71	18.7	0	0	0	112.4	F1142 S1143 D1144 N1146	D1140-F1142 PolarHBondContact O-N 2.98Å; D1140-F1142 VanDerWaalsContact OD1-CA 3.27Å; D1140-F1142 WeakPolarHBondContact OD1-CA 3.44Å; D1140-F1142 VanDerWaalsContact OD1-CB 3.3Å; D1140-F1142 WeakPolarHBondContact OD1-CB 3.08Å; D1140-F1142 PolarHBondContact OD1-N 3.28Å; D1140-S1143 PolarHBondContact O-N 2.84Å; D1140-S1143 PolarHBondContact OD1-N 3.25Å; D1140-D1144 PolarHBondContact N-O 2.83Å; D1140-D1144 VanDerWaalsContact N-O 3.13Å; D1140-D1144 PolarHBondContact OD1-N 2.88Å; D1140-N1146 WeakPolarHBondContact CB-ND2 3.38Å; D1140-N1146 PolarHBondContact OD2-ND2 2.76Å
1141	M	73.3	Confident	90.6	Very high	72 Å²	72	29.2 Å²	29.2	36%	0.355	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-10.9	179.1	70.2	-172.6	73.6	0	0	114.4	L705	L705-M1141 HydrophobicContact CD1-CE 4.33Å; L705-M1141 HydrophobicContact CD1-SD 3.77Å; L705-M1141 HydrophobicContact CD2-CE 3.83Å; L705-M1141 HydrophobicContact CD2-SD 4.06Å; L705-M1141 HydrophobicContact CG-CE 3.7Å; L705-M1141 HydrophobicContact CG-SD 3.82Å
1142	F	73.9	Confident	90.7	Very high	39 Å²	39	29.7 Å²	29.7	17%	0.171	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	6.5	176.7	-54.8	-79	0	0	0	112.7	F685 F694 L726 Y727 D1140 D1144	F685-F1142 AromaticContact CE1-CE1 4Å; F685-F1142 HydrophobicContact CE1-CE1 4Å; F685-F1142 HydrophobicContact CE1-CZ 4.14Å; F685-F1142 AromaticContact CZ-CE1 3.81Å; F685-F1142 HydrophobicContact CZ-CE1 3.81Å; F685-F1142 AromaticContact CZ-CZ 3.93Å; F685-F1142 HydrophobicContact CZ-CZ 3.93Å; F694-F1142 AromaticContact CD1-CE1 3.68Å; F694-F1142 HydrophobicContact CD1-CE1 3.68Å; F694-F1142 AromaticContact CD1-CZ 3.63Å; F694-F1142 HydrophobicContact CD1-CZ 3.63Å; F694-F1142 HydrophobicContact CE1-CE1 4.19Å; F694-F1142 AromaticContact CE1-CZ 3.71Å; F694-F1142 HydrophobicContact CE1-CZ 3.71Å; L726-F1142 VanDerWaalsContact O-CE2 3.29Å; L726-F1142 WeakPolarHBondContact O-CE2 3.37Å; Y727-F1142 HydrophobicContact CD2-CB 4.07Å; Y727-F1142 AromaticContact CD2-CD1 3.95Å; Y727-F1142 HydrophobicContact CD2-CD1 3.95Å; Y727-F1142 AromaticContact CD2-CD2 3.59Å; Y727-F1142 HydrophobicContact CD2-CD2 3.59Å; Y727-F1142 HydrophobicContact CD2-CE1 4.27Å; Y727-F1142 AromaticContact CD2-CE2 3.94Å; Y727-F1142 HydrophobicContact CD2-CE2 3.94Å; Y727-F1142 AromaticContact CD2-CG 3.58Å; Y727-F1142 HydrophobicContact CD2-CG 3.58Å; Y727-F1142 HydrophobicContact CD2-CZ 4.27Å; Y727-F1142 HydrophobicContact CE2-CB 3.83Å; Y727-F1142 HydrophobicContact CE2-CD1 4.29Å; Y727-F1142 HydrophobicContact CE2-CD2 4.22Å; Y727-F1142 AromaticContact CE2-CG 3.85Å; Y727-F1142 HydrophobicContact CE2-CG 3.85Å; D1140-F1142 PolarHBondContact O-N 2.98Å; D1140-F1142 VanDerWaalsContact OD1-CA 3.27Å; D1140-F1142 WeakPolarHBondContact OD1-CA 3.44Å; D1140-F1142 VanDerWaalsContact OD1-CB 3.3Å; D1140-F1142 WeakPolarHBondContact OD1-CB 3.08Å; D1140-F1142 PolarHBondContact OD1-N 3.28Å; F1142-D1144 PolarHBondContact O-N 2.92Å
1143	S	78.8	Confident	90.7	Very high	81 Å²	81	30.6 Å²	30.6	57%	0.566	16%	0.16	S	C	*	.	S	Bend	trans	59.3	22.1	-171.9	-53.4	0	0	0	0	113.2	D1140	D1140-S1143 PolarHBondContact O-N 2.84Å; D1140-S1143 PolarHBondContact OD1-N 3.25Å
1144	D	79.1	Confident	90.6	Very high	29 Å²	29	30.4 Å²	30.4	16%	0.155	16%	0.16	C	C	.	.			trans	-88.9	133.3	172.4	-86.1	-22.4	0	0	0	108.5	Y727 R728 D1140 F1142 N1146	Y727-D1144 WeakPolarHBondContact CE2-OD2 3.42Å; Y727-D1144 PolarHBondContact OH-OD2 2.95Å; R728-D1144 IonicContact CZ-OD2 3.47Å; R728-D1144 IonicContact NE-OD2 3.02Å; R728-D1144 PolarHBondContact NE-OD2 3.33Å; R728-D1144 IonicContact NH2-OD1 2.8Å; R728-D1144 PolarHBondContact NH2-OD1 3.36Å; R728-D1144 IonicContact NH2-OD2 3.25Å; R728-D1144 PolarHBondContact NH2-OD2 3.11Å; D1140-D1144 PolarHBondContact N-O 2.83Å; D1140-D1144 VanDerWaalsContact N-O 3.13Å; D1140-D1144 PolarHBondContact OD1-N 2.88Å; F1142-D1144 PolarHBondContact O-N 2.92Å; D1144-N1146 PolarHBondContact O-N 3.04Å
1145	P	86.5	Confident	90.3	Very high	67 Å²	67	30.7 Å²	30.7	44%	0.435	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	119.1	179.7	31.1	-34.3	0	0	0	111.2	F1084 Y1137 E1138	F1084-P1145 HydrophobicContact CE1-CB 4.01Å; F1084-P1145 HydrophobicContact CZ-CB 3.73Å; Y1137-P1145 HydrophobicContact CD1-CB 4.09Å; Y1137-P1145 HydrophobicContact CG-CB 4.26Å; E1138-P1145 CarbonylContact O-C 3.53Å; E1138-P1145 WeakPolarHBondContact O-CA 3.49Å
1146	N	88.5	Confident	89.9	Confident	52 Å²	52	35.8 Å²	35.8	28%	0.278	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	133	175.1	-58.5	-51.5	0	0	0	111.2	Y1137 E1138 D1140 D1144 L1148	Y1137-N1146 CarbonylContact C-O 3.45Å; Y1137-N1146 WeakPolarHBondContact CA-O 3.31Å; E1138-N1146 HydrophobicContact CG-CB 3.76Å; E1138-N1146 PolarHBondContact N-O 3.16Å; E1138-N1146 PolarHBondContact O-N 3Å; E1138-N1146 PolarHBondContact OE1-ND2 2.68Å; D1140-N1146 WeakPolarHBondContact CB-ND2 3.38Å; D1140-N1146 PolarHBondContact OD2-ND2 2.76Å; D1144-N1146 PolarHBondContact O-N 3.04Å; N1146-L1148 PolarHBondContact O-N 3.34Å
1147	F	93.9	Very high	89.5	Confident	81 Å²	81	35.8 Å²	35.8	36%	0.355	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	129.3	-179.5	175.1	-87.8	0	0	0	111.5	V1135 Y1137 H1150	V1135-F1147 HydrophobicContact CG1-CD2 3.77Å; V1135-F1147 HydrophobicContact CG1-CE2 3.92Å; Y1137-F1147 HydrophobicContact CD1-CB 4.47Å; Y1137-F1147 HydrophobicContact CE1-CB 4.37Å; F1147-H1150 HydrophobicContact CE2-CB 3.93Å; F1147-H1150 HydrophobicContact CZ-CB 4.15Å; F1147-H1150 AromaticContact CZ-CD2 3.96Å
1148	L	94.9	Very high	89.4	Confident	17 Å²	17	34.1 Å²	34.1	9%	0.089	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	-53.1	172.4	-70.1	-176.9	0	0	0	111.8	P1074 P1076 A1081 V1136 E1138 N1146	P1074-L1148 HydrophobicContact CG-CB 3.97Å; P1074-L1148 VanDerWaalsContact CG-O 3.29Å; P1074-L1148 WeakPolarHBondContact CG-O 3.38Å; P1076-L1148 HydrophobicContact CB-CD2 3.8Å; P1076-L1148 HydrophobicContact CG-CD2 3.91Å; A1081-L1148 HydrophobicContact CB-CD1 4.06Å; V1136-L1148 HydrophobicContact CB-CB 4.39Å; V1136-L1148 HydrophobicContact CG1-CB 4.34Å; V1136-L1148 HydrophobicContact CG1-CD1 4.19Å; V1136-L1148 WeakPolarHBondContact O-CB 3.38Å; V1136-L1148 PolarHBondContact O-N 3.02Å; E1138-L1148 HydrophobicContact CB-CD1 3.97Å; E1138-L1148 HydrophobicContact CB-CD2 4.39Å; E1138-L1148 HydrophobicContact CB-CG 4.18Å; E1138-L1148 HydrophobicContact CG-CD2 4.2Å; E1138-L1148 HydrophobicContact CG-CG 4.34Å; N1146-L1148 PolarHBondContact O-N 3.34Å
1149	A	97.9	Very high	89.6	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	165.3	-174.9	0	0	0	0	0	111.3	P1074 V1136 L1167 K1168 I1175	P1074-A1149 HydrophobicContact CG-CB 4.26Å; V1136-A1149 HydrophobicContact CB-CB 4.47Å; V1136-A1149 PolarHBondContact N-O 3.01Å; V1136-A1149 PolarHBondContact O-N 2.89Å; A1149-L1167 HydrophobicContact CB-CB 4.02Å; A1149-L1167 HydrophobicContact CB-CD1 4.18Å; A1149-L1167 HydrophobicContact CB-CD2 4.41Å; A1149-L1167 HydrophobicContact CB-CG 4.45Å; A1149-K1168 CarbonylContact C-O 3.3Å; A1149-K1168 WeakPolarHBondContact CA-O 3.18Å; A1149-K1168 WeakPolarHBondContact CB-O 3.27Å; A1149-I1175 HydrophobicContact CB-CD1 3.76Å
1150	H	98.3	Very high	89.8	Confident	2 Å²	2	31.6 Å²	31.6	1%	0.009	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	165	171.2	81.1	103.2	0	0	0	112.5	Q1022 F1134 V1135 F1147 T1152 K1168 N1169 S1172	Q1022-H1150 VanDerWaalsContact CG-CE1 3.43Å; Q1022-H1150 WeakPolarHBondContact CG-CE1 3.37Å; Q1022-H1150 WeakPolarHBondContact CG-NE2 3.47Å; F1134-H1150 CarbonylContact O-C 3.59Å; F1134-H1150 WeakPolarHBondContact O-CA 3.26Å; F1134-H1150 WeakPolarHBondContact O-CB 3.49Å; V1135-H1150 HydrophobicContact CG2-CB 4.48Å; F1147-H1150 HydrophobicContact CE2-CB 3.93Å; F1147-H1150 HydrophobicContact CZ-CB 4.15Å; F1147-H1150 AromaticContact CZ-CD2 3.96Å; H1150-T1152 PolarHBondContact ND1-OG1 3.03Å; H1150-T1152 VanDerWaalsContact ND1-OG1 3.12Å; H1150-K1168 PolarHBondContact N-O 2.95Å; H1150-K1168 WeakPolarHBondContact O-CA 3.48Å; H1150-K1168 WeakPolarHBondContact O-CB 3.37Å; H1150-K1168 PolarHBondContact O-N 3.48Å; H1150-N1169 PolarHBondContact CD2-O 2.78Å; H1150-N1169 PolarHBondContact NE2-O 3.28Å; H1150-S1172 PolarHBondContact CE1-OG 3.08Å; H1150-S1172 VanDerWaalsContact CE1-OG 3.32Å; H1150-S1172 PolarHBondContact NE2-OG 3.12Å
1151	A	98.3	Very high	90.6	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.008	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	125.6	162.5	0	0	0	0	0	108.5	R1133 F1134 F1153 V1165 P1166 L1167	R1133-A1151 WeakPolarHBondContact CA-O 3.37Å; F1134-A1151 PolarHBondContact N-O 3.16Å; F1134-A1151 PolarHBondContact O-N 3.44Å; A1151-F1153 HydrophobicContact CB-CE2 3.57Å; A1151-F1153 HydrophobicContact CB-CZ 3.84Å; A1151-V1165 HydrophobicContact CB-CG1 3.46Å; A1151-V1165 VanDerWaalsContact CB-CG1 3.46Å; A1151-P1166 WeakPolarHBondContact CB-O 3.32Å; A1151-L1167 HydrophobicContact CB-CD2 4.18Å
1152	T	97.9	Very high	91.6	Very high	12 Å²	12	27.4 Å²	27.4	7%	0.074	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	128.2	-175.8	-46	0	0	0	0	108.9	L1023 A1026 F1131 L1132 R1133 H1150	L1023-T1152 HydrophobicContact CD2-CG2 3.78Å; A1026-T1152 HydrophobicContact CB-CG2 3.68Å; A1026-T1152 WeakPolarHBondContact CB-O 3.29Å; F1131-T1152 HydrophobicContact CB-CG2 4.14Å; L1132-T1152 WeakPolarHBondContact O-CA 3.13Å; R1133-T1152 HydrophobicContact CB-CG2 3.99Å; R1133-T1152 HydrophobicContact CG-CG2 4.31Å; H1150-T1152 PolarHBondContact ND1-OG1 3.03Å; H1150-T1152 VanDerWaalsContact ND1-OG1 3.12Å
1153	F	96.6	Very high	92.7	Very high	19 Å²	19	25.8 Å²	25.8	8%	0.083	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	137.1	-177.6	-52.9	-84.5	0	0	0	110.5	I301 W302 F1131 L1132 F1134 A1151 I1155 I1158 V1165	I301-F1153 HydrophobicContact CG2-CD1 4.43Å; I301-F1153 HydrophobicContact CG2-CD2 4.03Å; I301-F1153 HydrophobicContact CG2-CE1 4.07Å; I301-F1153 HydrophobicContact CG2-CE2 3.66Å; I301-F1153 HydrophobicContact CG2-CG 4.4Å; I301-F1153 HydrophobicContact CG2-CZ 3.67Å; W302-F1153 HydrophobicContact CB-CD1 4.17Å; W302-F1153 HydrophobicContact CB-CE1 4.02Å; W302-F1153 HydrophobicContact CD2-CD1 4.37Å; W302-F1153 HydrophobicContact CE3-CB 4.48Å; W302-F1153 AromaticContact CE3-CD1 3.84Å; W302-F1153 HydrophobicContact CE3-CD1 3.84Å; F1131-F1153 CarbonylContact C-O 3.51Å; F1131-F1153 VanDerWaalsContact CA-O 3.23Å; F1131-F1153 WeakPolarHBondContact CA-O 3.07Å; L1132-F1153 PolarHBondContact N-O 2.92Å; L1132-F1153 PolarHBondContact O-N 2.86Å; F1134-F1153 HydrophobicContact CD2-CE2 4.36Å; F1134-F1153 HydrophobicContact CE2-CD2 4.48Å; A1151-F1153 HydrophobicContact CB-CE2 3.57Å; A1151-F1153 HydrophobicContact CB-CZ 3.84Å; F1153-I1155 PolarHBondContact O-N 3.4Å; F1153-I1158 HydrophobicContact CB-CG2 3.71Å; F1153-I1158 HydrophobicContact CG-CG2 4.46Å; F1153-V1165 HydrophobicContact CE2-CG1 3.71Å; F1153-V1165 HydrophobicContact CZ-CG1 4.11Å
1154	P	95.6	Very high	93.7	Very high	6 Å²	6	22 Å²	22	4%	0.039	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	134.8	161.8	-21	31.5	0	0	0	110.2	W302 A1026 L1030 F1131 K1156 G1157	W302-P1154 HydrophobicContact CZ3-CG 4.42Å; A1026-P1154 WeakPolarHBondContact O-CD 3.44Å; A1026-P1154 WeakPolarHBondContact O-CG 3.03Å; L1030-P1154 HydrophobicContact CD1-CB 4.04Å; L1030-P1154 HydrophobicContact CD1-CG 3.93Å; L1030-P1154 HydrophobicContact CD2-CB 4.41Å; L1030-P1154 HydrophobicContact CD2-CG 4.31Å; L1030-P1154 HydrophobicContact CG-CB 4.38Å; L1030-P1154 HydrophobicContact CG-CG 3.94Å; F1131-P1154 HydrophobicContact CD1-CB 4.32Å; F1131-P1154 HydrophobicContact CD1-CG 4.14Å; F1131-P1154 HydrophobicContact CE1-CB 4.35Å; F1131-P1154 HydrophobicContact CE1-CG 4.02Å; P1154-K1156 PolarHBondContact O-N 3.19Å; P1154-G1157 PolarHBondContact O-N 3.17Å
1155	I	93.4	Very high	94.6	Very high	5 Å²	5	20.6 Å²	20.6	3%	0.026	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-55.8	-39	-178.8	-70.4	-72	0	0	0	111.5	M1061 M1063 I1089 I1124 P1127 A1130 L1132 F1153 G1157 I1158	M1061-I1155 HydrophobicContact CE-CG2 3.35Å; M1061-I1155 HydrophobicContact SD-CG2 4.32Å; M1063-I1155 HydrophobicContact CE-CD1 3.44Å; M1063-I1155 VanDerWaalsContact CE-CD1 3.44Å; M1063-I1155 HydrophobicContact CE-CG2 4.18Å; M1063-I1155 HydrophobicContact SD-CD1 4.21Å; I1089-I1155 HydrophobicContact CD1-CD1 3.95Å; I1124-I1155 HydrophobicContact CD1-CD1 3.95Å; I1124-I1155 HydrophobicContact CD1-CG1 4.47Å; P1127-I1155 HydrophobicContact CB-CG2 4.11Å; A1130-I1155 VanDerWaalsContact C-CG1 3.47Å; A1130-I1155 HydrophobicContact CB-CB 4.4Å; A1130-I1155 HydrophobicContact CB-CG1 3.74Å; A1130-I1155 WeakPolarHBondContact O-CB 3.41Å; A1130-I1155 VanDerWaalsContact O-CG1 3.26Å; A1130-I1155 WeakPolarHBondContact O-CG1 3.47Å; A1130-I1155 PolarHBondContact O-N 3.21Å; L1132-I1155 HydrophobicContact CB-CD1 3.76Å; F1153-I1155 PolarHBondContact O-N 3.4Å; I1155-G1157 PolarHBondContact O-N 3.38Å; I1155-I1158 HydrophobicContact CD1-CD1 4.43Å; I1155-I1158 WeakPolarHBondContact O-CG1 3.34Å; I1155-I1158 PolarHBondContact O-N 3.25Å
1156	K	88.9	Confident	95.1	Very high	108 Å²	108	19 Å²	19	47%	0.47	9%	0.094	S	C	.	.	G	3₁₀ helix	trans	-58.5	-21.5	176.3	-174.8	168.4	-176.7	173.3	0	114.4	Y306 P1154	Y306-K1156 HydrophobicContact CE1-CG 4.39Å; Y306-K1156 WeakPolarHBondContact CE2-O 3.22Å; Y306-K1156 VanDerWaalsContact CZ-O 3.27Å; Y306-K1156 WeakPolarHBondContact OH-CG 3.39Å; Y306-K1156 PolarHBondContact OH-O 3.05Å; P1154-K1156 PolarHBondContact O-N 3.19Å
1157	G	91.1	Very high	95.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-101.5	3.8	-175.6	0	0	0	0	0	116.1	D303 P1154 I1155	D303-G1157 PolarHBondContact N-O 2.79Å; P1154-G1157 PolarHBondContact O-N 3.17Å; I1155-G1157 PolarHBondContact O-N 3.38Å
1158	I	94	Very high	95.8	Very high	12 Å²	12	15 Å²	15	6%	0.062	7%	0.074	C	C	.	.	B	Isolated β-bridge	trans	-95.6	154.8	-178	80.7	176.9	0	0	0	112.2	I301 M1063 L1132 F1153 I1155 M1186	I301-I1158 HydrophobicContact CD1-CB 4.41Å; I301-I1158 HydrophobicContact CG1-CB 4.07Å; I301-I1158 CarbonylContact O-C 3.54Å; I301-I1158 WeakPolarHBondContact O-CA 3.13Å; M1063-I1158 HydrophobicContact CE-CD1 3.25Å; M1063-I1158 HydrophobicContact CE-CG1 4.41Å; M1063-I1158 HydrophobicContact SD-CD1 3.71Å; L1132-I1158 HydrophobicContact CD2-CD1 3.94Å; F1153-I1158 HydrophobicContact CB-CG2 3.71Å; F1153-I1158 HydrophobicContact CG-CG2 4.46Å; I1155-I1158 HydrophobicContact CD1-CD1 4.43Å; I1155-I1158 WeakPolarHBondContact O-CG1 3.34Å; I1155-I1158 PolarHBondContact O-N 3.25Å; I1158-M1186 HydrophobicContact CD1-SD 3.67Å; I1158-M1186 HydrophobicContact CG1-CE 3.92Å; I1158-M1186 HydrophobicContact CG1-SD 3.44Å; I1158-M1186 WeakPolarHBondContact CG1-SD 3.35Å
1159	K	94.8	Very high	95.9	Very high	26 Å²	26	15.4 Å²	15.4	11%	0.113	8%	0.077	C	C	.	.			trans	-112.1	153	175.9	-61.6	177.4	-62.3	-165.7	0	111.9	E256 S300 I301 W302 D303	E256-K1159 IonicContact OE1-NZ 2.59Å; S300-K1159 WeakPolarHBondContact O-CE 3.3Å; S300-K1159 PolarHBondContact O-NZ 3.12Å; I301-K1159 PolarHBondContact O-N 3.35Å; W302-K1159 WeakPolarHBondContact O-CE 3.42Å; W302-K1159 PolarHBondContact O-NZ 3.03Å; D303-K1159 HydrophobicContact CB-CD 4.13Å; D303-K1159 HydrophobicContact CB-CG 3.96Å
1160	S	93.7	Very high	95.7	Very high	10 Å²	10	16.1 Å²	16.1	7%	0.07	8%	0.083	C	C	.	.			trans	-80.2	165	175.2	-57.2	0	0	0	0	112.9	R1163 C1184 M1186	S1160-R1163 PolarHBondContact O-NE 3.4Å; S1160-R1163 PolarHBondContact O-NH2 3.5Å; S1160-C1184 CarbonylContact C-O 3.57Å; S1160-C1184 WeakPolarHBondContact CA-O 3.3Å; S1160-M1186 WeakPolarHBondContact OG-CE 3.12Å
1161	G	93.3	Very high	95.6	Very high	3 Å²	3	18.7 Å²	18.7	3%	0.031	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	99.4	-161.8	175.6	0	0	0	0	0	114.1	E253 R1163 H1183 C1184	E253-G1161 WeakPolarHBondContact O-CA 3.18Å; G1161-R1163 PolarHBondContact O-N 2.97Å; G1161-H1183 WeakPolarHBondContact O-CA 3.35Å; G1161-C1184 PolarHBondContact N-O 3.12Å; G1161-C1184 PolarHBondContact O-N 3.37Å
1162	F	94.6	Very high	95.6	Very high	6 Å²	6	19.4 Å²	19.4	3%	0.026	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	105.6	174.3	-65.7	-92.7	0	0	0	109.7	E220 F221 F249 Q254 L294 N299 L1068 L1181 V1182 H1183	E220-F1162 HydrophobicContact CB-CE1 4.31Å; E220-F1162 HydrophobicContact CB-CZ 4.4Å; F221-F1162 HydrophobicContact CD1-CE2 4.36Å; F221-F1162 HydrophobicContact CD1-CZ 4.5Å; F221-F1162 AromaticContact CE1-CD2 3.8Å; F221-F1162 HydrophobicContact CE1-CD2 3.8Å; F221-F1162 HydrophobicContact CE1-CE1 4.39Å; F221-F1162 AromaticContact CE1-CE2 3.55Å; F221-F1162 HydrophobicContact CE1-CE2 3.55Å; F221-F1162 HydrophobicContact CE1-CG 4.32Å; F221-F1162 AromaticContact CE1-CZ 3.87Å; F221-F1162 HydrophobicContact CE1-CZ 3.87Å; F221-F1162 HydrophobicContact CE2-CE1 4.47Å; F221-F1162 AromaticContact CZ-CD1 3.99Å; F221-F1162 HydrophobicContact CZ-CD1 3.99Å; F221-F1162 AromaticContact CZ-CD2 3.91Å; F221-F1162 HydrophobicContact CZ-CD2 3.91Å; F221-F1162 AromaticContact CZ-CE1 3.98Å; F221-F1162 HydrophobicContact CZ-CE1 3.98Å; F221-F1162 AromaticContact CZ-CE2 3.91Å; F221-F1162 HydrophobicContact CZ-CE2 3.91Å; F221-F1162 AromaticContact CZ-CG 3.95Å; F221-F1162 HydrophobicContact CZ-CG 3.95Å; F221-F1162 AromaticContact CZ-CZ 3.93Å; F221-F1162 HydrophobicContact CZ-CZ 3.93Å; F249-F1162 HydrophobicContact CE2-CD2 4.31Å; Q254-F1162 PolarHBondContact NE2-O 2.77Å; Q254-F1162 PolarHBondContact OE1-O 3.47Å; L294-F1162 HydrophobicContact CD2-CB 4.18Å; N299-F1162 PolarHBondContact ND2-O 2.86Å; L1068-F1162 HydrophobicContact CD1-CD1 3.69Å; L1068-F1162 HydrophobicContact CD1-CE1 3.8Å; F1162-L1181 HydrophobicContact CB-CD1 4.42Å; F1162-V1182 CarbonylContact C-O 3.56Å; F1162-V1182 VanDerWaalsContact CA-O 3.32Å; F1162-V1182 WeakPolarHBondContact CA-O 3.17Å; F1162-H1183 HydrophobicContact CD1-CB 4.24Å; F1162-H1183 AromaticContact CD2-CD2 3.86Å; F1162-H1183 HydrophobicContact CE1-CB 4.27Å; F1162-H1183 AromaticContact CE1-CD2 3.82Å; F1162-H1183 AromaticContact CE2-CD2 3.61Å; F1162-H1183 AromaticContact CZ-CD2 3.6Å
1163	R	97.4	Very high	95.5	Very high	4 Å²	4	20 Å²	20	2%	0.015	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	141.9	-171.4	-63.2	-62	179	167.3	2.5	112.8	Q254 E256 I301 S1160 G1161 V1182	Q254-R1163 PolarHBondContact O-NH2 3.03Å; E256-R1163 IonicContact OE1-CZ 3.12Å; E256-R1163 IonicContact OE1-NH1 2.66Å; E256-R1163 PolarHBondContact OE1-NH1 3.33Å; E256-R1163 IonicContact OE1-NH2 2.69Å; E256-R1163 PolarHBondContact OE1-NH2 3.17Å; I301-R1163 HydrophobicContact CB-CB 3.74Å; I301-R1163 HydrophobicContact CB-CG 4.27Å; I301-R1163 HydrophobicContact CG1-CB 4.05Å; I301-R1163 HydrophobicContact CG1-CG 4.23Å; S1160-R1163 PolarHBondContact O-NE 3.4Å; S1160-R1163 PolarHBondContact O-NH2 3.5Å; G1161-R1163 PolarHBondContact O-N 2.97Å; R1163-V1182 HydrophobicContact CB-CG2 4.32Å; R1163-V1182 PolarHBondContact N-O 3.37Å; R1163-V1182 PolarHBondContact O-N 3.34Å
1164	S	98.3	Very high	95.4	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.007	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	138.9	163.5	179.8	0	0	0	0	109.2	L294 F295 A296 N299 S300 I301 P1166 L1180	L294-S1164 WeakPolarHBondContact O-CB 3.43Å; L294-S1164 PolarHBondContact O-N 3.32Å; F295-S1164 VanDerWaalsContact C-OG 3.31Å; F295-S1164 WeakPolarHBondContact O-CB 2.94Å; F295-S1164 PolarHBondContact O-OG 3.35Å; A296-S1164 WeakPolarHBondContact O-CB 3.26Å; A296-S1164 PolarHBondContact O-OG 2.92Å; N299-S1164 PolarHBondContact O-N 3.25Å; S300-S1164 CarbonylContact C-O 3.5Å; S300-S1164 VanDerWaalsContact CA-O 3.31Å; S300-S1164 WeakPolarHBondContact CA-O 3.17Å; I301-S1164 PolarHBondContact N-O 2.88Å; S1164-P1166 WeakPolarHBondContact O-CD 3.33Å; S1164-L1180 CarbonylContact C-O 3.52Å; S1164-L1180 WeakPolarHBondContact CA-O 3.44Å
1165	V	98.4	Very high	95.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	91.2	170.6	-176.5	0	0	0	0	107.3	I301 F1134 A1151 F1153 L1167 S1179 L1180 V1182	I301-V1165 HydrophobicContact CB-CG2 4.34Å; I301-V1165 HydrophobicContact CD1-CG2 4.38Å; I301-V1165 HydrophobicContact CG2-CG2 4.08Å; F1134-V1165 HydrophobicContact CD2-CG1 3.82Å; F1134-V1165 HydrophobicContact CE2-CG1 4.19Å; F1134-V1165 HydrophobicContact CE2-CG2 4.15Å; F1134-V1165 HydrophobicContact CG-CG1 4.24Å; F1134-V1165 HydrophobicContact CZ-CG2 4.24Å; A1151-V1165 HydrophobicContact CB-CG1 3.46Å; A1151-V1165 VanDerWaalsContact CB-CG1 3.46Å; F1153-V1165 HydrophobicContact CE2-CG1 3.71Å; F1153-V1165 HydrophobicContact CZ-CG1 4.11Å; V1165-L1167 PolarHBondContact O-N 2.89Å; V1165-S1179 CarbonylContact O-C 3.53Å; V1165-S1179 VanDerWaalsContact O-CA 3.25Å; V1165-S1179 WeakPolarHBondContact O-CA 3.34Å; V1165-L1180 HydrophobicContact CB-CB 4.04Å; V1165-L1180 PolarHBondContact N-O 2.94Å; V1165-L1180 PolarHBondContact O-N 3.11Å; V1165-V1182 HydrophobicContact CG2-CB 4.35Å; V1165-V1182 HydrophobicContact CG2-CG1 3.8Å; V1165-V1182 HydrophobicContact CG2-CG2 3.58Å
1166	P	97.8	Very high	95.4	Very high	34 Å²	34	27.9 Å²	27.9	22%	0.221	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	130.6	174.1	-23.9	34.6	0	0	0	110.6	A1151 S1164	A1151-P1166 WeakPolarHBondContact CB-O 3.32Å; S1164-P1166 WeakPolarHBondContact O-CD 3.33Å
1167	L	98.4	Very high	95.7	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	148.4	-173.7	-69.2	173.5	0	0	0	111.9	L1073 V1136 A1149 A1151 V1165 I1175 A1178 L1180	L1073-L1167 HydrophobicContact CD2-CD1 3.41Å; L1073-L1167 VanDerWaalsContact CD2-CD1 3.41Å; V1136-L1167 HydrophobicContact CG2-CD1 3.87Å; V1136-L1167 HydrophobicContact CG2-CD2 3.94Å; A1149-L1167 HydrophobicContact CB-CB 4.02Å; A1149-L1167 HydrophobicContact CB-CD1 4.18Å; A1149-L1167 HydrophobicContact CB-CD2 4.41Å; A1149-L1167 HydrophobicContact CB-CG 4.45Å; A1151-L1167 HydrophobicContact CB-CD2 4.18Å; V1165-L1167 PolarHBondContact O-N 2.89Å; L1167-I1175 PolarHBondContact O-N 3.32Å; L1167-A1178 HydrophobicContact CB-CB 3.97Å; L1167-A1178 HydrophobicContact CD1-CB 4.32Å; L1167-A1178 PolarHBondContact N-O 3Å; L1167-L1180 HydrophobicContact CD1-CD2 4.1Å; L1167-L1180 HydrophobicContact CD1-CG 4.22Å; L1167-L1180 HydrophobicContact CD2-CD1 4.24Å; L1167-L1180 HydrophobicContact CD2-CG 4.05Å; L1167-L1180 HydrophobicContact CG-CG 4.34Å
1168	K	98	Very high	96	Very high	47 Å²	47	24.2 Å²	24.2	20%	0.204	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	155.9	179.7	-63.8	176.8	169.4	-167.8	0	111	A1149 H1150 S1172 E1173 D1174	A1149-K1168 CarbonylContact C-O 3.3Å; A1149-K1168 WeakPolarHBondContact CA-O 3.18Å; A1149-K1168 WeakPolarHBondContact CB-O 3.27Å; H1150-K1168 PolarHBondContact N-O 2.95Å; H1150-K1168 WeakPolarHBondContact O-CA 3.48Å; H1150-K1168 WeakPolarHBondContact O-CB 3.37Å; H1150-K1168 PolarHBondContact O-N 3.48Å; K1168-S1172 WeakPolarHBondContact CD-O 3.32Å; K1168-E1173 CarbonylContact C-O 3.45Å; K1168-E1173 WeakPolarHBondContact CA-O 3.38Å; K1168-E1173 WeakPolarHBondContact CB-O 3.05Å; K1168-D1174 WeakPolarHBondContact CE-OD1 3.27Å
1169	N	96.7	Very high	96.2	Very high	27 Å²	27	24 Å²	24	14%	0.144	13%	0.127	C	C	.	.			trans	-79.7	-178.8	173.2	77.7	4	0	0	0	111.5	T102 H1150 Y1171 S1172 E1173 I1175	T102-N1169 WeakPolarHBondContact CB-ND2 3.38Å; T102-N1169 PolarHBondContact O-ND2 3.05Å; H1150-N1169 PolarHBondContact CD2-O 2.78Å; H1150-N1169 PolarHBondContact NE2-O 3.28Å; N1169-Y1171 PolarHBondContact O-N 3.19Å; N1169-Y1171 VanDerWaalsContact O-N 3.09Å; N1169-Y1171 WeakPolarHBondContact OD1-CA 3.29Å; N1169-Y1171 PolarHBondContact OD1-N 2.83Å; N1169-S1172 PolarHBondContact O-N 2.95Å; N1169-S1172 PolarHBondContact OD1-N 3.05Å; N1169-E1173 PolarHBondContact N-O 3Å; N1169-E1173 PolarHBondContact OD1-N 3.09Å; N1169-E1173 VanDerWaalsContact OD1-N 3.1Å; N1169-I1175 HydrophobicContact CB-CD1 4.14Å; N1169-I1175 HydrophobicContact CB-CG1 4.11Å
1170	G	94.9	Very high	96.4	Very high	14 Å²	14	22.8 Å²	22.8	14%	0.144	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-26.5	-178	0	0	0	0	0	115.4	P1017 Q1022 S1172	P1017-G1170 WeakPolarHBondContact CA-O 3.26Å; P1017-G1170 WeakPolarHBondContact CB-O 3.4Å; Q1022-G1170 PolarHBondContact NE2-O 2.85Å; G1170-S1172 VanDerWaalsContact C-N 3.28Å; G1170-S1172 PolarHBondContact O-N 3.31Å
1171	Y	96.4	Very high	96.6	Very high	56 Å²	56	22.3 Å²	22.3	22%	0.22	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	10.8	177.3	-67.8	-81.6	0	0	0	113	Q103 F104 Q1015 P1017 N1169 E1173	Q103-Y1171 HydrophobicContact CB-CD2 4.3Å; Q103-Y1171 HydrophobicContact CB-CE2 4.05Å; Q103-Y1171 HydrophobicContact CG-CD2 4.34Å; Q103-Y1171 HydrophobicContact CG-CE2 4.01Å; F104-Y1171 HydrophobicContact CB-CD1 3.9Å; F104-Y1171 HydrophobicContact CB-CE1 3.66Å; Q1015-Y1171 WeakPolarHBondContact O-CE1 3.46Å; P1017-Y1171 HydrophobicContact CB-CD1 3.83Å; P1017-Y1171 HydrophobicContact CB-CD2 4.01Å; P1017-Y1171 HydrophobicContact CB-CE1 3.82Å; P1017-Y1171 HydrophobicContact CB-CE2 4.01Å; P1017-Y1171 HydrophobicContact CB-CG 3.92Å; P1017-Y1171 HydrophobicContact CG-CD1 4.41Å; P1017-Y1171 HydrophobicContact CG-CD2 4.45Å; P1017-Y1171 HydrophobicContact CG-CE1 3.9Å; P1017-Y1171 HydrophobicContact CG-CE2 3.94Å; N1169-Y1171 PolarHBondContact O-N 3.19Å; N1169-Y1171 VanDerWaalsContact O-N 3.09Å; N1169-Y1171 WeakPolarHBondContact OD1-CA 3.29Å; N1169-Y1171 PolarHBondContact OD1-N 2.83Å; Y1171-E1173 PolarHBondContact O-N 2.81Å
1172	S	96.8	Very high	96.7	Very high	16 Å²	16	22.2 Å²	22.2	11%	0.112	12%	0.116	C	C	.	.	S	Bend	trans	60.2	28.1	-175.1	-61.5	0	0	0	0	114.4	H1150 K1168 N1169 G1170	H1150-S1172 PolarHBondContact CE1-OG 3.08Å; H1150-S1172 VanDerWaalsContact CE1-OG 3.32Å; H1150-S1172 PolarHBondContact NE2-OG 3.12Å; K1168-S1172 WeakPolarHBondContact CD-O 3.32Å; N1169-S1172 PolarHBondContact O-N 2.95Å; N1169-S1172 PolarHBondContact OD1-N 3.05Å; G1170-S1172 VanDerWaalsContact C-N 3.28Å; G1170-S1172 PolarHBondContact O-N 3.31Å
1173	E	95.8	Very high	96.6	Very high	25 Å²	25	23.1 Å²	23.1	12%	0.117	12%	0.121	C	C	.	.	P	Polyproline II helix	trans	-91.1	140.2	169.6	-67	-69.2	171.9	0	0	110.5	K72 R347 K1168 N1169 Y1171	K72-E1173 WeakPolarHBondContact CE-OE2 3.34Å; K72-E1173 IonicContact NZ-OE1 3.98Å; K72-E1173 IonicContact NZ-OE2 3.65Å; K72-E1173 PolarHBondContact NZ-OE2 2.69Å; R347-E1173 IonicContact CZ-OE1 3.5Å; R347-E1173 IonicContact NH1-OE1 3.2Å; R347-E1173 PolarHBondContact NH1-OE1 3.36Å; R347-E1173 IonicContact NH2-OE1 2.72Å; R347-E1173 PolarHBondContact NH2-OE1 2.76Å; K1168-E1173 CarbonylContact C-O 3.45Å; K1168-E1173 WeakPolarHBondContact CA-O 3.38Å; K1168-E1173 WeakPolarHBondContact CB-O 3.05Å; N1169-E1173 PolarHBondContact N-O 3Å; N1169-E1173 PolarHBondContact OD1-N 3.09Å; N1169-E1173 VanDerWaalsContact OD1-N 3.1Å; Y1171-E1173 PolarHBondContact O-N 2.81Å
1174	D	94.6	Very high	96.4	Very high	97 Å²	97	23 Å²	23	52%	0.519	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	138.7	-176.4	-60.5	-45.1	0	0	0	111.9	K1168	K1168-D1174 WeakPolarHBondContact CE-OD1 3.27Å
1175	I	95.8	Very high	96.1	Very high	41 Å²	41	27.2 Å²	27.2	21%	0.21	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	125.6	174.5	-57.6	171.7	0	0	0	108.4	P1074 A1149 L1167 N1169 L1177 A1178	P1074-I1175 HydrophobicContact CG-CD1 4.15Å; A1149-I1175 HydrophobicContact CB-CD1 3.76Å; L1167-I1175 PolarHBondContact O-N 3.32Å; N1169-I1175 HydrophobicContact CB-CD1 4.14Å; N1169-I1175 HydrophobicContact CB-CG1 4.11Å; I1175-L1177 PolarHBondContact O-N 2.73Å; I1175-A1178 HydrophobicContact CB-CB 3.74Å; I1175-A1178 HydrophobicContact CG2-CB 3.53Å; I1175-A1178 PolarHBondContact O-N 3.37Å
1176	E	93.7	Very high	95.7	Very high	58 Å²	58	29.6 Å²	29.6	27%	0.271	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.6	122.2	-177.2	-175.3	176.3	-144.3	0	0	111.6	I141 K148 A1178	I141-E1176 HydrophobicContact CG2-CG 4.07Å; K148-E1176 VanDerWaalsContact NZ-CD 3.32Å; K148-E1176 IonicContact NZ-OE1 3.3Å; K148-E1176 PolarHBondContact NZ-OE1 3.05Å; K148-E1176 IonicContact NZ-OE2 3.42Å; K148-E1176 PolarHBondContact NZ-OE2 3.24Å; K148-E1176 VanDerWaalsContact NZ-OE2 3.11Å; E1176-A1178 PolarHBondContact O-N 2.99Å
1177	L	95.3	Very high	95.2	Very high	28 Å²	28	33.5 Å²	33.5	15%	0.147	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	60.4	-4.7	179.6	-57.7	172.7	0	0	0	117.2	T138 I141 W145 H1072 I1175 S1179	T138-L1177 HydrophobicContact CG2-CD2 4.34Å; I141-L1177 HydrophobicContact CB-CD2 4.08Å; I141-L1177 HydrophobicContact CG2-CD2 3.66Å; I141-L1177 HydrophobicContact CG2-CG 4.02Å; W145-L1177 HydrophobicContact CB-CD1 3.53Å; W145-L1177 HydrophobicContact CD2-CD1 4Å; W145-L1177 HydrophobicContact CE3-CD1 4.5Å; W145-L1177 HydrophobicContact CG-CD1 3.56Å; H1072-L1177 HydrophobicContact CB-CB 4.14Å; H1072-L1177 WeakPolarHBondContact ND1-CB 3.46Å; H1072-L1177 PolarHBondContact ND1-O 3.3Å; I1175-L1177 PolarHBondContact O-N 2.73Å; L1177-S1179 PolarHBondContact O-N 2.92Å
1178	A	97.9	Very high	94.4	Very high	3 Å²	3	38 Å²	38	3%	0.025	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	121	-178.9	0	0	0	0	0	110.4	R1071 H1072 L1167 I1175 E1176	R1071-A1178 VanDerWaalsContact O-CA 3.31Å; R1071-A1178 WeakPolarHBondContact O-CA 3.47Å; H1072-A1178 VanDerWaalsContact O-CB 3.24Å; H1072-A1178 WeakPolarHBondContact O-CB 3.45Å; L1167-A1178 HydrophobicContact CB-CB 3.97Å; L1167-A1178 HydrophobicContact CD1-CB 4.32Å; L1167-A1178 PolarHBondContact N-O 3Å; I1175-A1178 HydrophobicContact CB-CB 3.74Å; I1175-A1178 HydrophobicContact CG2-CB 3.53Å; I1175-A1178 PolarHBondContact O-N 3.37Å; E1176-A1178 PolarHBondContact O-N 2.99Å
1179	S	98.3	Very high	93.5	Very high	8 Å²	8	39 Å²	39	6%	0.056	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	149.6	-177.9	51.6	0	0	0	0	112.3	F295 A1070 R1071 V1165 L1177	F295-S1179 PolarHBondContact O-OG 3.36Å; A1070-S1179 CarbonylContact C-O 3.51Å; A1070-S1179 WeakPolarHBondContact CA-O 3.21Å; A1070-S1179 WeakPolarHBondContact CB-O 3.33Å; R1071-S1179 PolarHBondContact N-O 2.79Å; R1071-S1179 PolarHBondContact O-N 2.84Å; V1165-S1179 CarbonylContact O-C 3.53Å; V1165-S1179 VanDerWaalsContact O-CA 3.25Å; V1165-S1179 WeakPolarHBondContact O-CA 3.34Å; L1177-S1179 PolarHBondContact O-N 2.92Å
1180	L	98.5	Very high	91.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	154.8	162.1	-47.9	174.6	0	0	0	109.7	G1069 A1070 L1073 V1085 F1134 V1136 S1164 V1165 L1167 V1182	G1069-L1180 CarbonylContact O-C 3.58Å; G1069-L1180 WeakPolarHBondContact O-CA 3.37Å; A1070-L1180 HydrophobicContact CB-CD2 3.52Å; L1073-L1180 HydrophobicContact CD2-CD2 4.48Å; V1085-L1180 HydrophobicContact CG1-CD1 3.87Å; V1085-L1180 HydrophobicContact CG2-CD1 4.27Å; V1085-L1180 HydrophobicContact CG2-CD2 4.08Å; F1134-L1180 HydrophobicContact CB-CD1 3.98Å; F1134-L1180 HydrophobicContact CD1-CD1 4.03Å; F1134-L1180 HydrophobicContact CG-CD1 4.23Å; V1136-L1180 HydrophobicContact CG2-CD1 4.28Å; V1136-L1180 HydrophobicContact CG2-CD2 3.95Å; V1136-L1180 HydrophobicContact CG2-CG 4.48Å; S1164-L1180 CarbonylContact C-O 3.52Å; S1164-L1180 WeakPolarHBondContact CA-O 3.44Å; V1165-L1180 HydrophobicContact CB-CB 4.04Å; V1165-L1180 PolarHBondContact N-O 2.94Å; V1165-L1180 PolarHBondContact O-N 3.11Å; L1167-L1180 HydrophobicContact CD1-CD2 4.1Å; L1167-L1180 HydrophobicContact CD1-CG 4.22Å; L1167-L1180 HydrophobicContact CD2-CD1 4.24Å; L1167-L1180 HydrophobicContact CD2-CG 4.05Å; L1167-L1180 HydrophobicContact CG-CG 4.34Å; L1180-V1182 HydrophobicContact CB-CG1 4.16Å
1181	L	97.9	Very high	89.8	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	123.3	161.5	175.6	60.2	0	0	0	108.1	I217 L294 F295 L1068 G1069 F1162	I217-L1181 HydrophobicContact CD1-CD2 4.26Å; I217-L1181 HydrophobicContact CG2-CD2 3.88Å; L294-L1181 HydrophobicContact CB-CD1 3.92Å; L294-L1181 HydrophobicContact CB-CD2 4.01Å; L294-L1181 HydrophobicContact CD1-CD2 4.26Å; F295-L1181 HydrophobicContact CD1-CB 3.75Å; F295-L1181 HydrophobicContact CD2-CB 4.28Å; F295-L1181 HydrophobicContact CD2-CD2 4.15Å; F295-L1181 HydrophobicContact CE1-CB 3.3Å; F295-L1181 HydrophobicContact CE2-CB 3.89Å; F295-L1181 HydrophobicContact CE2-CD2 3.61Å; F295-L1181 HydrophobicContact CE2-CG 4.39Å; F295-L1181 HydrophobicContact CG-CB 4.23Å; F295-L1181 HydrophobicContact CZ-CB 3.38Å; F295-L1181 HydrophobicContact CZ-CD2 3.85Å; F295-L1181 HydrophobicContact CZ-CG 4.27Å; L1068-L1181 HydrophobicContact CB-CG 4.34Å; L1068-L1181 WeakPolarHBondContact CB-O 3.34Å; L1068-L1181 HydrophobicContact CD1-CD2 4.41Å; L1068-L1181 HydrophobicContact CD1-CG 4.18Å; L1068-L1181 PolarHBondContact N-O 3.47Å; G1069-L1181 PolarHBondContact N-O 3.34Å; G1069-L1181 PolarHBondContact O-N 3.44Å; F1162-L1181 HydrophobicContact CB-CD1 4.42Å
1182	V	95.7	Very high	87.6	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	153.4	-178.7	-53.2	0	0	0	0	110.5	I301 R1066 V1067 F1134 F1162 R1163 V1165 L1180	I301-V1182 HydrophobicContact CD1-CG2 4.2Å; R1066-V1182 CarbonylContact O-C 3.58Å; R1066-V1182 WeakPolarHBondContact O-CA 3.46Å; R1066-V1182 WeakPolarHBondContact O-CB 3.25Å; V1067-V1182 HydrophobicContact CG2-CG1 4.33Å; F1134-V1182 HydrophobicContact CD1-CG1 4.45Å; F1134-V1182 HydrophobicContact CE1-CG1 3.81Å; F1134-V1182 HydrophobicContact CZ-CG1 4.27Å; F1134-V1182 HydrophobicContact CZ-CG2 4.39Å; F1162-V1182 CarbonylContact C-O 3.56Å; F1162-V1182 VanDerWaalsContact CA-O 3.32Å; F1162-V1182 WeakPolarHBondContact CA-O 3.17Å; R1163-V1182 HydrophobicContact CB-CG2 4.32Å; R1163-V1182 PolarHBondContact N-O 3.37Å; R1163-V1182 PolarHBondContact O-N 3.34Å; V1165-V1182 HydrophobicContact CG2-CB 4.35Å; V1165-V1182 HydrophobicContact CG2-CG1 3.8Å; V1165-V1182 HydrophobicContact CG2-CG2 3.58Å; L1180-V1182 HydrophobicContact CB-CG1 4.16Å
1183	H	93.3	Very high	85.5	Confident	25 Å²	25	49.1 Å²	49.1	12%	0.116	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	119.5	164.9	177.9	-86.7	0	0	0	108.6	V1065 R1066 L1068 G1161 F1162	V1065-H1183 WeakPolarHBondContact CA-O 3.35Å; R1066-H1183 HydrophobicContact CB-CB 4.33Å; R1066-H1183 PolarHBondContact N-O 3.33Å; R1066-H1183 PolarHBondContact NH2-ND1 3.33Å; R1066-H1183 PolarHBondContact O-N 2.88Å; L1068-H1183 HydrophobicContact CD1-CB 4.38Å; G1161-H1183 WeakPolarHBondContact O-CA 3.35Å; F1162-H1183 HydrophobicContact CD1-CB 4.24Å; F1162-H1183 AromaticContact CD2-CD2 3.86Å; F1162-H1183 HydrophobicContact CE1-CB 4.27Å; F1162-H1183 AromaticContact CE1-CD2 3.82Å; F1162-H1183 AromaticContact CE2-CD2 3.61Å; F1162-H1183 AromaticContact CZ-CD2 3.6Å
1184	C	93.1	Very high	83.4	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.007	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	127	-179.6	-174.2	0	0	0	0	110.3	T1064 S1160 G1161	T1064-C1184 WeakPolarHBondContact O-CA 3.4Å; S1160-C1184 CarbonylContact C-O 3.57Å; S1160-C1184 WeakPolarHBondContact CA-O 3.3Å; G1161-C1184 PolarHBondContact N-O 3.12Å; G1161-C1184 PolarHBondContact O-N 3.37Å
1185	E	91.3	Very high	81.4	Confident	91 Å²	91	49 Å²	49	43%	0.425	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	129.1	173.2	-172.8	-178.7	-175.7	0	0	109	M1063 T1064	M1063-E1185 CarbonylContact C-O 3.43Å; M1063-E1185 WeakPolarHBondContact CA-O 3.45Å; T1064-E1185 PolarHBondContact N-O 3.27Å; T1064-E1185 PolarHBondContact O-N 3.01Å
1186	M	90.2	Very high	79.4	Confident	49 Å²	49	47.7 Å²	47.7	24%	0.241	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	123.9	179.3	-65.2	-176.2	-76.2	0	0	109.7	M1061 M1063 I1158 S1160	M1061-M1186 HydrophobicContact SD-CB 4.38Å; M1061-M1186 HydrophobicContact SD-CG 4.49Å; M1061-M1186 HydrophobicContact SD-SD 4.43Å; M1063-M1186 HydrophobicContact CE-CG 3.99Å; M1063-M1186 HydrophobicContact CE-SD 4.05Å; M1063-M1186 HydrophobicContact CG-CG 4.3Å; I1158-M1186 HydrophobicContact CD1-SD 3.67Å; I1158-M1186 HydrophobicContact CG1-CE 3.92Å; I1158-M1186 HydrophobicContact CG1-SD 3.44Å; I1158-M1186 WeakPolarHBondContact CG1-SD 3.35Å; S1160-M1186 WeakPolarHBondContact OG-CE 3.12Å
1187	Q	87.6	Confident	77.5	Confident	117 Å²	117	51.6 Å²	51.6	55%	0.547	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	118.4	176	-174.6	-179	-0.6	0	0	109.7	M1061 I1062	M1061-Q1187 WeakPolarHBondContact CA-O 3.33Å; M1061-Q1187 WeakPolarHBondContact CG-O 3.42Å; I1062-Q1187 PolarHBondContact N-O 2.66Å; I1062-Q1187 PolarHBondContact O-N 3.14Å
1188	Q	81.9	Confident	75.5	Confident	94 Å²	94	52.9 Å²	52.9	44%	0.439	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	131.3	172.2	-69.8	178	-5.7	0	0	110.6	E1195	Q1188-E1195 VanDerWaalsContact CD-OE2 3.29Å; Q1188-E1195 PolarHBondContact NE2-OE1 2.94Å; Q1188-E1195 PolarHBondContact NE2-OE2 3.38Å; Q1188-E1195 PolarHBondContact OE1-OE2 2.84Å; Q1188-E1195 VanDerWaalsContact OE1-OE2 3.09Å
1189	V	78.1	Confident	73.6	Confident	68 Å²	68	54.4 Å²	54.4	41%	0.412	27%	0.271	S	S	.	.	S	Bend	trans	-93.8	-35.7	179.7	-179.5	0	0	0	0	110.6	L1059 Q1060 I1062	L1059-V1189 HydrophobicContact CD2-CG2 4.07Å; L1059-V1189 HydrophobicContact CG-CB 4.49Å; L1059-V1189 HydrophobicContact CG-CG2 4.1Å; Q1060-V1189 PolarHBondContact O-N 2.7Å; I1062-V1189 HydrophobicContact CD1-CG2 3.94Å; I1062-V1189 HydrophobicContact CG1-CG2 3.86Å
1190	L	62.8	Low	71.9	Confident	89 Å²	89	54.7 Å²	54.7	47%	0.466	27%	0.272	S	S	.	.	S	Bend	trans	-127.9	122.6	174.6	-66	170.3	0	0	0	108.1	K1058 S1192	K1058-L1190 HydrophobicContact CB-CD1 4.14Å; L1190-S1192 PolarHBondContact O-N 3.5Å
1191	E	50.8	Low	70.2	Confident	119 Å²	119	60.9 Å²	60.9	56%	0.556	30%	0.296	S	S	*	.			trans	-61.4	111.2	169.8	-83.9	-178.2	165	0	0	109	L1196 R1252	E1191-L1196 HydrophobicContact CB-CD1 4.24Å; E1191-R1252 IonicContact OE2-NH2 3.62Å; E1191-R1252 PolarHBondContact OE2-NH2 3.49Å
1192	S	50.8	Low	68.7	Low	25 Å²	25	67.5 Å²	67.5	18%	0.175	33%	0.327	C	S	.	.			trans	-60.6	139.2	177.7	72.6	0	0	0	0	110.1	L1190 E1194 E1195 L1196	L1190-S1192 PolarHBondContact O-N 3.5Å; S1192-E1194 PolarHBondContact O-N 3.33Å; S1192-E1195 PolarHBondContact O-N 3.35Å; S1192-E1195 WeakPolarHBondContact OG-CB 3.35Å; S1192-E1195 VanDerWaalsContact OG-CG 3.31Å; S1192-E1195 WeakPolarHBondContact OG-CG 3.03Å; S1192-E1195 PolarHBondContact OG-N 2.82Å; S1192-E1195 VanDerWaalsContact OG-N 3.14Å; S1192-E1195 PolarHBondContact OG-OE2 3.33Å; S1192-E1195 VanDerWaalsContact OG-OE2 3.11Å; S1192-L1196 PolarHBondContact O-N 3.5Å
1193	E	51.9	Low	67.4	Low	93 Å²	93	69 Å²	69	44%	0.435	33%	0.334	S	S	.	.	H	α-helix	trans	-59	-30.3	174.6	-72.1	-173.3	163.5	0	0	110.6	L1196 Y1197 K1256	E1193-L1196 WeakPolarHBondContact O-CB 3.47Å; E1193-L1196 PolarHBondContact O-N 2.92Å; E1193-Y1197 WeakPolarHBondContact O-CD2 3.15Å; E1193-Y1197 PolarHBondContact O-N 2.94Å; E1193-K1256 IonicContact OE1-NZ 3.67Å; E1193-K1256 PolarHBondContact OE1-NZ 3.44Å; E1193-K1256 IonicContact OE2-NZ 2.71Å
1194	E	51.1	Low	66.5	Low	46 Å²	46	74.6 Å²	74.6	22%	0.215	36%	0.355	C	S	.	.	H	α-helix	trans	-63.1	-39.5	176.3	-79.4	-179.3	151.7	0	0	113.9	E1041 N1128 S1192 Y1197 S1198	E1041-E1194 HydrophobicContact CB-CG 4.45Å; E1041-E1194 WeakPolarHBondContact CB-OE1 3.42Å; E1041-E1194 PolarHBondContact N-OE1 2.96Å; N1128-E1194 PolarHBondContact ND2-OE2 3.37Å; S1192-E1194 PolarHBondContact O-N 3.33Å; E1194-Y1197 PolarHBondContact O-N 2.95Å; E1194-S1198 WeakPolarHBondContact O-CB 3.46Å; E1194-S1198 PolarHBondContact O-N 3.39Å; E1194-S1198 PolarHBondContact O-OG 2.63Å
1195	E	53.4	Low	65.6	Low	74 Å²	74	81 Å²	81	35%	0.346	38%	0.382	S	S	.	.	H	α-helix	trans	-70.2	-34.8	176.3	-79.9	173.3	140.5	0	0	112.5	Q1188 S1192 S1198 S1199	Q1188-E1195 VanDerWaalsContact CD-OE2 3.29Å; Q1188-E1195 PolarHBondContact NE2-OE1 2.94Å; Q1188-E1195 PolarHBondContact NE2-OE2 3.38Å; Q1188-E1195 PolarHBondContact OE1-OE2 2.84Å; Q1188-E1195 VanDerWaalsContact OE1-OE2 3.09Å; S1192-E1195 PolarHBondContact O-N 3.35Å; S1192-E1195 WeakPolarHBondContact OG-CB 3.35Å; S1192-E1195 VanDerWaalsContact OG-CG 3.31Å; S1192-E1195 WeakPolarHBondContact OG-CG 3.03Å; S1192-E1195 PolarHBondContact OG-N 2.82Å; S1192-E1195 VanDerWaalsContact OG-N 3.14Å; S1192-E1195 PolarHBondContact OG-OE2 3.33Å; S1192-E1195 VanDerWaalsContact OG-OE2 3.11Å; E1195-S1198 WeakPolarHBondContact CA-OG 3.41Å; E1195-S1198 PolarHBondContact O-OG 3.4Å; E1195-S1199 WeakPolarHBondContact O-CB 3.31Å; E1195-S1199 PolarHBondContact O-N 2.78Å; E1195-S1199 PolarHBondContact O-OG 3.34Å
1196	L	53.3	Low	64.9	Low	13 Å²	13	80.7 Å²	80.7	7%	0.068	38%	0.377	C	S	.	.	H	α-helix	trans	-64.4	-43.3	173	-78.7	148.9	0	0	0	111.3	E1191 S1192 E1193 C1200 Y1245 R1252	E1191-L1196 HydrophobicContact CB-CD1 4.24Å; S1192-L1196 PolarHBondContact O-N 3.5Å; E1193-L1196 WeakPolarHBondContact O-CB 3.47Å; E1193-L1196 PolarHBondContact O-N 2.92Å; L1196-C1200 WeakPolarHBondContact O-CB 3.31Å; L1196-C1200 PolarHBondContact O-N 3.05Å; L1196-Y1245 HydrophobicContact CD2-CD1 3.72Å; L1196-Y1245 HydrophobicContact CD2-CE1 3.66Å; L1196-R1252 VanDerWaalsContact CD1-NH2 3.3Å
1197	Y	55.1	Low	64.4	Low	140 Å²	140	79.5 Å²	79.5	55%	0.549	37%	0.371	S	S	.	.	H	α-helix	trans	-72.1	-44	178.4	-83.7	-71.7	0	0	0	113.2	E1193 E1194 C1200 R1201	E1193-Y1197 WeakPolarHBondContact O-CD2 3.15Å; E1193-Y1197 PolarHBondContact O-N 2.94Å; E1194-Y1197 PolarHBondContact O-N 2.95Å; Y1197-C1200 PolarHBondContact O-N 2.94Å; Y1197-R1201 WeakPolarHBondContact O-CB 3.29Å; Y1197-R1201 PolarHBondContact O-N 3.12Å
1198	S	52.5	Low	63.9	Low	55 Å²	55	80.1 Å²	80.1	39%	0.385	37%	0.374	S	S	.	.	H	α-helix	trans	-65	-43.2	177.1	58.1	0	0	0	0	111.8	E1194 E1195 R1201 Q1202	E1194-S1198 WeakPolarHBondContact O-CB 3.46Å; E1194-S1198 PolarHBondContact O-N 3.39Å; E1194-S1198 PolarHBondContact O-OG 2.63Å; E1195-S1198 WeakPolarHBondContact CA-OG 3.41Å; E1195-S1198 PolarHBondContact O-OG 3.4Å; S1198-R1201 PolarHBondContact O-N 3.4Å; S1198-Q1202 WeakPolarHBondContact O-CG 3.15Å; S1198-Q1202 PolarHBondContact O-N 2.8Å
1199	S	59	Low	63.6	Low	35 Å²	35	79 Å²	79	25%	0.245	37%	0.369	C	S	.	.	H	α-helix	trans	-61.3	-44	172.2	-61.2	0	0	0	0	111.1	E1195 R1201 Q1202 L1203	E1195-S1199 WeakPolarHBondContact O-CB 3.31Å; E1195-S1199 PolarHBondContact O-N 2.78Å; E1195-S1199 PolarHBondContact O-OG 3.34Å; S1199-R1201 VanDerWaalsContact C-N 3.35Å; S1199-R1201 PolarHBondContact O-N 3.39Å; S1199-Q1202 PolarHBondContact O-N 3.33Å; S1199-L1203 WeakPolarHBondContact O-CB 3.37Å; S1199-L1203 WeakPolarHBondContact O-CD1 3.5Å; S1199-L1203 WeakPolarHBondContact O-CG 3.29Å; S1199-L1203 PolarHBondContact O-N 2.97Å
1200	C	62.4	Low	63.7	Low	14 Å²	14	75.8 Å²	75.8	10%	0.095	35%	0.349	C	S	.	.	H	α-helix	trans	-60.3	-43.3	175.9	-168.6	0	0	0	0	111.9	L1196 Y1197 L1203 R1204	L1196-C1200 WeakPolarHBondContact O-CB 3.31Å; L1196-C1200 PolarHBondContact O-N 3.05Å; Y1197-C1200 PolarHBondContact O-N 2.94Å; C1200-L1203 PolarHBondContact O-N 2.87Å; C1200-R1204 WeakPolarHBondContact O-CG 3.2Å; C1200-R1204 PolarHBondContact O-N 3.49Å
1201	R	62.9	Low	64.5	Low	130 Å²	130	75.7 Å²	75.7	49%	0.491	35%	0.349	S	S	.	.	H	α-helix	trans	-64.2	-43.4	178.5	-166.8	-178.4	-173.2	-167.6	6.4	111.8	Q312 Y1197 S1198 S1199 R1204 K1205	Q312-R1201 VanDerWaalsContact CD-NH2 3.3Å; Y1197-R1201 WeakPolarHBondContact O-CB 3.29Å; Y1197-R1201 PolarHBondContact O-N 3.12Å; S1198-R1201 PolarHBondContact O-N 3.4Å; S1199-R1201 VanDerWaalsContact C-N 3.35Å; S1199-R1201 PolarHBondContact O-N 3.39Å; R1201-R1204 PolarHBondContact O-N 3.45Å; R1201-K1205 PolarHBondContact O-N 2.6Å
1202	Q	66	Low	65.7	Low	140 Å²	140	74.5 Å²	74.5	65%	0.654	35%	0.347	S	S	*	.	H	α-helix	trans	-64.8	-43.7	176.5	-72.7	177.6	2	0	0	111.9	S1198 S1199 R1204 K1205 R1206	S1198-Q1202 WeakPolarHBondContact O-CG 3.15Å; S1198-Q1202 PolarHBondContact O-N 2.8Å; S1199-Q1202 PolarHBondContact O-N 3.33Å; Q1202-R1204 PolarHBondContact O-N 2.81Å; Q1202-K1205 PolarHBondContact O-N 3.08Å; Q1202-R1206 WeakPolarHBondContact O-CB 3.4Å; Q1202-R1206 PolarHBondContact O-N 3.16Å
1203	L	68.5	Low	66.9	Low	30 Å²	30	76.9 Å²	76.9	16%	0.157	36%	0.355	C	S	.	.	H	α-helix	trans	-64.2	-39	177.5	-66.3	165.5	0	0	0	111.5	S1199 C1200 R1206 Q1207 N1238 K1241 L1242 Y1245	S1199-L1203 WeakPolarHBondContact O-CB 3.37Å; S1199-L1203 WeakPolarHBondContact O-CD1 3.5Å; S1199-L1203 WeakPolarHBondContact O-CG 3.29Å; S1199-L1203 PolarHBondContact O-N 2.97Å; C1200-L1203 PolarHBondContact O-N 2.87Å; L1203-R1206 PolarHBondContact O-N 3.03Å; L1203-Q1207 WeakPolarHBondContact O-CB 3.48Å; L1203-Q1207 PolarHBondContact O-N 3.24Å; L1203-N1238 WeakPolarHBondContact CD2-OD1 3.31Å; L1203-N1238 PolarHBondContact O-ND2 2.91Å; L1203-K1241 HydrophobicContact CD1-CB 4.4Å; L1203-K1241 HydrophobicContact CD2-CD 4.39Å; L1203-L1242 HydrophobicContact CB-CD1 4.34Å; L1203-L1242 HydrophobicContact CB-CG 4.08Å; L1203-Y1245 HydrophobicContact CD1-CD2 3.52Å; L1203-Y1245 HydrophobicContact CD1-CE2 3.27Å
1204	R	73.9	Confident	68.2	Low	144 Å²	144	73.2 Å²	73.2	54%	0.543	34%	0.338	S	S	.	.	H	α-helix	trans	-61.9	-46	173.3	-73.9	-177.9	-170.8	-176.4	3	112.2	C1200 R1201 Q1202 Q1207 E1208 L1242	C1200-R1204 WeakPolarHBondContact O-CG 3.2Å; C1200-R1204 PolarHBondContact O-N 3.49Å; R1201-R1204 PolarHBondContact O-N 3.45Å; Q1202-R1204 PolarHBondContact O-N 2.81Å; R1204-Q1207 VanDerWaalsContact O-CB 3.32Å; R1204-Q1207 WeakPolarHBondContact O-CB 3.33Å; R1204-Q1207 PolarHBondContact O-N 2.87Å; R1204-E1208 PolarHBondContact O-N 2.91Å; R1204-L1242 HydrophobicContact CG-CD1 4.48Å; R1204-L1242 HydrophobicContact CG-CD2 3.56Å
1205	K	73.8	Confident	69.2	Low	134 Å²	134	77.7 Å²	77.7	58%	0.583	36%	0.357	S	S	*	.	H	α-helix	trans	-60.9	-46	176.9	-173.5	-176.9	176.7	-173.6	0	111.1	R1201 Q1202 Q1207 E1208 E1209	R1201-K1205 PolarHBondContact O-N 2.6Å; Q1202-K1205 PolarHBondContact O-N 3.08Å; K1205-Q1207 VanDerWaalsContact C-N 3.27Å; K1205-Q1207 PolarHBondContact O-N 2.92Å; K1205-E1208 PolarHBondContact O-N 3.13Å; K1205-E1209 WeakPolarHBondContact CE-OE1 3.37Å; K1205-E1209 WeakPolarHBondContact O-CG 3.24Å; K1205-E1209 PolarHBondContact O-N 3.14Å
1206	R	77.8	Confident	69.9	Low	86 Å²	86	79.4 Å²	79.4	33%	0.325	37%	0.368	S	S	.	.	H	α-helix	trans	-62.6	-35.8	176	-174.9	58.1	176.8	174.3	2.3	111.9	Q1202 L1203 E1208 E1209 L1210 E1234	Q1202-R1206 WeakPolarHBondContact O-CB 3.4Å; Q1202-R1206 PolarHBondContact O-N 3.16Å; L1203-R1206 PolarHBondContact O-N 3.03Å; R1206-E1208 VanDerWaalsContact C-N 3.35Å; R1206-E1209 IonicContact NH1-OE2 3.67Å; R1206-E1209 PolarHBondContact NH1-OE2 3.25Å; R1206-E1209 PolarHBondContact O-N 2.78Å; R1206-L1210 HydrophobicContact CG-CD1 4.01Å; R1206-L1210 HydrophobicContact CG-CG 4.44Å; R1206-L1210 WeakPolarHBondContact O-CB 3.38Å; R1206-L1210 VanDerWaalsContact O-CG 3.22Å; R1206-L1210 WeakPolarHBondContact O-CG 2.81Å; R1206-L1210 PolarHBondContact O-N 3.44Å; R1206-E1234 IonicContact CZ-OE1 2.77Å; R1206-E1234 VanDerWaalsContact CZ-OE1 3.32Å; R1206-E1234 IonicContact NE-OE1 3.38Å; R1206-E1234 PolarHBondContact NE-OE1 3.17Å; R1206-E1234 IonicContact NH2-OE1 2.74Å; R1206-E1234 PolarHBondContact NH2-OE1 2.77Å; R1206-E1234 IonicContact NH2-OE2 3.43Å
1207	Q	80	Confident	70.6	Confident	24 Å²	24	83.2 Å²	83.2	11%	0.112	38%	0.382	C	S	.	.	H	α-helix	trans	-63.4	-42.9	175.2	-162.4	69.9	16.8	0	0	111.3	L1203 R1204 K1205 L1210 N1211 F1235 N1238 L1242	L1203-Q1207 WeakPolarHBondContact O-CB 3.48Å; L1203-Q1207 PolarHBondContact O-N 3.24Å; R1204-Q1207 VanDerWaalsContact O-CB 3.32Å; R1204-Q1207 WeakPolarHBondContact O-CB 3.33Å; R1204-Q1207 PolarHBondContact O-N 2.87Å; K1205-Q1207 VanDerWaalsContact C-N 3.27Å; K1205-Q1207 PolarHBondContact O-N 2.92Å; Q1207-L1210 PolarHBondContact O-N 3.02Å; Q1207-N1211 WeakPolarHBondContact O-CB 3.47Å; Q1207-N1211 PolarHBondContact O-N 3.09Å; Q1207-F1235 HydrophobicContact CG-CE2 4.21Å; Q1207-F1235 VanDerWaalsContact NE2-CD2 3.33Å; Q1207-F1235 PolarHBondContact NE2-O 3.38Å; Q1207-F1235 VanDerWaalsContact NE2-O 3.15Å; Q1207-N1238 PolarHBondContact N-ND2 2.87Å; Q1207-N1238 VanDerWaalsContact N-ND2 3.17Å; Q1207-N1238 VanDerWaalsContact OE1-CG 3.25Å; Q1207-N1238 PolarHBondContact OE1-ND2 2.75Å; Q1207-L1242 HydrophobicContact CB-CD1 3.91Å; Q1207-L1242 HydrophobicContact CG-CD1 4.08Å
1208	E	75.5	Confident	71.1	Confident	130 Å²	130	81.2 Å²	81.2	61%	0.607	38%	0.381	S	S	*	.	H	α-helix	trans	-68.4	-40.3	179.4	-153.6	167.9	-154.8	0	0	111.5	R1204 K1205 R1206 N1211 N1212	R1204-E1208 PolarHBondContact O-N 2.91Å; K1205-E1208 PolarHBondContact O-N 3.13Å; R1206-E1208 VanDerWaalsContact C-N 3.35Å; E1208-N1211 PolarHBondContact O-N 3.44Å; E1208-N1212 WeakPolarHBondContact O-CB 3.41Å; E1208-N1212 VanDerWaalsContact O-CG 3.24Å; E1208-N1212 PolarHBondContact O-N 3.13Å; E1208-N1212 PolarHBondContact O-ND2 3.35Å
1209	E	76.4	Confident	71.8	Confident	71 Å²	71	82.6 Å²	82.6	33%	0.332	39%	0.388	S	S	.	.	H	α-helix	trans	-61.5	-47.7	171.7	-73	171.4	-172.1	0	0	112.3	K1205 R1206 N1211 N1212 Q1213	K1205-E1209 WeakPolarHBondContact CE-OE1 3.37Å; K1205-E1209 WeakPolarHBondContact O-CG 3.24Å; K1205-E1209 PolarHBondContact O-N 3.14Å; R1206-E1209 IonicContact NH1-OE2 3.67Å; R1206-E1209 PolarHBondContact NH1-OE2 3.25Å; R1206-E1209 PolarHBondContact O-N 2.78Å; E1209-N1211 VanDerWaalsContact C-N 3.31Å; E1209-N1211 PolarHBondContact O-N 2.7Å; E1209-N1212 PolarHBondContact O-N 3.12Å; E1209-Q1213 VanDerWaalsContact O-CG 3.3Å; E1209-Q1213 WeakPolarHBondContact O-CG 3.41Å; E1209-Q1213 PolarHBondContact O-N 2.86Å
1210	L	79.3	Confident	71.7	Confident	0 Å²	0	88.6 Å²	88.6	0%	0	41%	0.411	C	S	.	.	H	α-helix	trans	-63.9	-36.9	177.2	-71.7	166.7	0	0	0	111.4	R1206 Q1207 Q1213 L1214 I1231 E1234 F1235 N1238	R1206-L1210 HydrophobicContact CG-CD1 4.01Å; R1206-L1210 HydrophobicContact CG-CG 4.44Å; R1206-L1210 WeakPolarHBondContact O-CB 3.38Å; R1206-L1210 VanDerWaalsContact O-CG 3.22Å; R1206-L1210 WeakPolarHBondContact O-CG 2.81Å; R1206-L1210 PolarHBondContact O-N 3.44Å; Q1207-L1210 PolarHBondContact O-N 3.02Å; L1210-Q1213 PolarHBondContact O-N 3.33Å; L1210-L1214 WeakPolarHBondContact O-CB 3.36Å; L1210-L1214 WeakPolarHBondContact O-CG 3.46Å; L1210-L1214 PolarHBondContact O-N 2.73Å; L1210-I1231 HydrophobicContact CD2-CG2 3.95Å; L1210-E1234 HydrophobicContact CD1-CB 4.41Å; L1210-E1234 HydrophobicContact CD1-CG 4Å; L1210-E1234 HydrophobicContact CD2-CB 4.45Å; L1210-E1234 HydrophobicContact CD2-CG 4.39Å; L1210-F1235 HydrophobicContact CB-CB 4.47Å; L1210-F1235 HydrophobicContact CB-CD2 3.87Å; L1210-N1238 HydrophobicContact CD1-CB 4.34Å
1211	N	80.4	Confident	71.3	Confident	87 Å²	87	95.2 Å²	95.2	47%	0.465	45%	0.445	S	S	.	.	H	α-helix	trans	-64.2	-45.5	175.3	-164.6	33.9	0	0	0	111.8	Q1207 E1208 E1209 Q1213 L1214 F1215 F1235	Q1207-N1211 WeakPolarHBondContact O-CB 3.47Å; Q1207-N1211 PolarHBondContact O-N 3.09Å; E1208-N1211 PolarHBondContact O-N 3.44Å; E1209-N1211 VanDerWaalsContact C-N 3.31Å; E1209-N1211 PolarHBondContact O-N 2.7Å; N1211-Q1213 VanDerWaalsContact C-N 3.31Å; N1211-Q1213 PolarHBondContact O-N 3.2Å; N1211-L1214 PolarHBondContact O-N 3.37Å; N1211-F1215 WeakPolarHBondContact O-CB 3.03Å; N1211-F1215 PolarHBondContact O-N 3.46Å; N1211-F1235 HydrophobicContact CB-CE2 3.96Å
1212	N	76.4	Confident	70.8	Confident	93 Å²	93	95.7 Å²	95.7	50%	0.497	46%	0.457	S	S	.	.	H	α-helix	trans	-62.8	-39.3	176.3	-71.7	-29.3	0	0	0	111.4	E1208 E1209 F1215 L1216	E1208-N1212 WeakPolarHBondContact O-CB 3.41Å; E1208-N1212 VanDerWaalsContact O-CG 3.24Å; E1208-N1212 PolarHBondContact O-N 3.13Å; E1208-N1212 PolarHBondContact O-ND2 3.35Å; E1209-N1212 PolarHBondContact O-N 3.12Å; N1212-F1215 PolarHBondContact O-N 3.19Å; N1212-L1216 VanDerWaalsContact O-CG 3.28Å; N1212-L1216 WeakPolarHBondContact O-CG 3.44Å; N1212-L1216 PolarHBondContact O-N 3.26Å
1213	Q	76.3	Confident	70	Confident	75 Å²	75	96.9 Å²	96.9	35%	0.35	47%	0.467	S	S	.	.	H	α-helix	trans	-64.8	-45.3	174.4	-71.8	175.4	12.4	0	0	111.8	E1209 L1210 N1211 F1215 L1216 Y1217	E1209-Q1213 VanDerWaalsContact O-CG 3.3Å; E1209-Q1213 WeakPolarHBondContact O-CG 3.41Å; E1209-Q1213 PolarHBondContact O-N 2.86Å; L1210-Q1213 PolarHBondContact O-N 3.33Å; N1211-Q1213 VanDerWaalsContact C-N 3.31Å; N1211-Q1213 PolarHBondContact O-N 3.2Å; Q1213-F1215 VanDerWaalsContact C-N 3.33Å; Q1213-F1215 PolarHBondContact O-N 3.23Å; Q1213-L1216 PolarHBondContact O-N 2.75Å; Q1213-Y1217 VanDerWaalsContact O-CD2 3.27Å; Q1213-Y1217 WeakPolarHBondContact O-CD2 3.46Å; Q1213-Y1217 PolarHBondContact O-N 3.07Å
1214	L	78.3	Confident	69.3	Low	16 Å²	16	106.8 Å²	106.8	8%	0.084	50%	0.503	C	S	.	.	H	α-helix	trans	-60.4	-41.2	175.7	-77	166.1	0	0	0	112.1	L1210 N1211 L1216 Y1217 D1218 I1231 L1232 F1235	L1210-L1214 WeakPolarHBondContact O-CB 3.36Å; L1210-L1214 WeakPolarHBondContact O-CG 3.46Å; L1210-L1214 PolarHBondContact O-N 2.73Å; N1211-L1214 PolarHBondContact O-N 3.37Å; L1214-L1216 PolarHBondContact O-N 2.86Å; L1214-Y1217 PolarHBondContact O-N 3.35Å; L1214-Y1217 VanDerWaalsContact O-N 3.14Å; L1214-D1218 PolarHBondContact O-N 2.66Å; L1214-I1231 HydrophobicContact CD1-CG2 4.41Å; L1214-I1231 HydrophobicContact CD2-CG2 3.87Å; L1214-I1231 HydrophobicContact CG-CG2 3.78Å; L1214-L1232 HydrophobicContact CD2-CD1 3.7Å; L1214-L1232 HydrophobicContact CD2-CG 4.12Å; L1214-F1235 HydrophobicContact CD1-CB 3.96Å; L1214-F1235 HydrophobicContact CD1-CD1 4.47Å; L1214-F1235 HydrophobicContact CD1-CD2 3.66Å; L1214-F1235 HydrophobicContact CD1-CE2 4.27Å; L1214-F1235 HydrophobicContact CD1-CG 3.78Å
1215	F	72.6	Confident	68.4	Low	140 Å²	140	103.5 Å²	103.5	61%	0.614	50%	0.496	S	S	*	.	H	α-helix	trans	-63.3	-39.1	176	-175.4	-98.5	0	0	0	112.9	N1211 N1212 Q1213 Y1217 D1218 T1219	N1211-F1215 WeakPolarHBondContact O-CB 3.03Å; N1211-F1215 PolarHBondContact O-N 3.46Å; N1212-F1215 PolarHBondContact O-N 3.19Å; Q1213-F1215 VanDerWaalsContact C-N 3.33Å; Q1213-F1215 PolarHBondContact O-N 3.23Å; F1215-Y1217 VanDerWaalsContact C-N 3.31Å; F1215-Y1217 PolarHBondContact O-N 3.47Å; F1215-D1218 PolarHBondContact O-N 2.99Å; F1215-T1219 PolarHBondContact O-N 3.09Å; F1215-T1219 PolarHBondContact O-OG1 2.87Å; F1215-T1219 VanDerWaalsContact O-OG1 3.05Å
1216	L	68.3	Low	67.5	Low	111 Å²	111	101.8 Å²	101.8	58%	0.581	50%	0.498	S	S	*	.	H	α-helix	trans	-66.9	-31	173.3	-71.3	167	0	0	0	112.4	N1212 Q1213 L1214 T1219 H1220	N1212-L1216 VanDerWaalsContact O-CG 3.28Å; N1212-L1216 WeakPolarHBondContact O-CG 3.44Å; N1212-L1216 PolarHBondContact O-N 3.26Å; Q1213-L1216 PolarHBondContact O-N 2.75Å; L1214-L1216 PolarHBondContact O-N 2.86Å; L1216-T1219 PolarHBondContact O-OG1 3.06Å; L1216-T1219 VanDerWaalsContact O-OG1 3.04Å; L1216-H1220 PolarHBondContact O-CD2 2.81Å
1217	Y	67.2	Low	66.7	Low	92 Å²	92	102.3 Å²	102.3	36%	0.361	51%	0.507	S	S	.	.	H	α-helix	trans	-75.3	-37.8	173.6	-88.4	-77.2	0	0	0	112.7	Q1213 L1214 F1215 T1219 H1220 I1231	Q1213-Y1217 VanDerWaalsContact O-CD2 3.27Å; Q1213-Y1217 WeakPolarHBondContact O-CD2 3.46Å; Q1213-Y1217 PolarHBondContact O-N 3.07Å; L1214-Y1217 PolarHBondContact O-N 3.35Å; L1214-Y1217 VanDerWaalsContact O-N 3.14Å; F1215-Y1217 VanDerWaalsContact C-N 3.31Å; F1215-Y1217 PolarHBondContact O-N 3.47Å; Y1217-T1219 PolarHBondContact O-N 2.67Å; Y1217-H1220 PolarHBondContact O-N 2.96Å; Y1217-I1231 HydrophobicContact CD2-CD1 4.17Å; Y1217-I1231 HydrophobicContact CE2-CD1 3.64Å
1218	D	65.5	Low	66.3	Low	98 Å²	98	105.5 Å²	105.5	52%	0.524	52%	0.518	S	S	.	.	H	α-helix	trans	-72	-17.2	-178.8	-76.8	-18.8	0	0	0	113.3	L1214 F1215 R1228	L1214-D1218 PolarHBondContact O-N 2.66Å; F1215-D1218 PolarHBondContact O-N 2.99Å; D1218-R1228 IonicContact OD1-CZ 2.67Å; D1218-R1228 IonicContact OD1-NE 2.83Å; D1218-R1228 PolarHBondContact OD1-NE 3.14Å; D1218-R1228 IonicContact OD1-NH2 3.41Å; D1218-R1228 PolarHBondContact OD1-NH2 3.21Å
1219	T	67	Low	66.1	Low	85 Å²	85	103.6 Å²	103.6	52%	0.521	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-11.9	174.3	41.1	0	0	0	0	113.9	F1215 L1216 Y1217	F1215-T1219 PolarHBondContact O-N 3.09Å; F1215-T1219 PolarHBondContact O-OG1 2.87Å; F1215-T1219 VanDerWaalsContact O-OG1 3.05Å; L1216-T1219 PolarHBondContact O-OG1 3.06Å; L1216-T1219 VanDerWaalsContact O-OG1 3.04Å; Y1217-T1219 PolarHBondContact O-N 2.67Å
1220	H	58.2	Low	65.7	Low	160 Å²	160	102.8 Å²	102.8	74%	0.741	52%	0.518	S	S	*	.	S	Bend	trans	-107.2	103.5	173.3	-74	-69.7	0	0	0	110.8	L1216 Y1217 N1222	L1216-H1220 PolarHBondContact O-CD2 2.81Å; Y1217-H1220 PolarHBondContact O-N 2.96Å; H1220-N1222 PolarHBondContact O-N 3.09Å
1221	L	52.4	Low	65.6	Low	153 Å²	153	103.8 Å²	103.8	80%	0.801	52%	0.523	S	S	*	.			trans	-58.9	128.4	-173.7	-88.3	155.7	0	0	0	114.9
1222	N	52.9	Low	65.4	Low	140 Å²	140	102.5 Å²	102.5	75%	0.749	52%	0.516	S	S	*	.			trans	61	83.4	144.9	-69.4	-25.7	0	0	0	119.7	H1220	H1220-N1222 PolarHBondContact O-N 3.09Å
1223	L	49.3	Very low	65.4	Low	165 Å²	165	105.2 Å²	105.2	86%	0.864	52%	0.523	S	S	*	.			trans	-153.6	128.9	139.2	-94.2	160.8	0	0	0	107.7	N1225	L1223-N1225 PolarHBondContact O-N 2.96Å
1224	R	53.3	Low	65.3	Low	239 Å²	239	105.5 Å²	105.5	90%	0.902	52%	0.524	S	S	*	.			trans	-60.1	108.6	173.3	-116.3	-176.9	-179.9	178	0.3	108.1
1225	N	55.6	Low	65.6	Low	74 Å²	74	106.4 Å²	106.4	40%	0.396	53%	0.528	S	S	.	.			trans	-116.3	125.8	-173.1	-160.6	-15	0	0	0	109.1	L1223 N1227 R1228	L1223-N1225 PolarHBondContact O-N 2.96Å; N1225-N1227 PolarHBondContact O-N 3.44Å; N1225-R1228 PolarHBondContact O-N 3.12Å
1226	P	54.8	Low	65.8	Low	98 Å²	98	103.6 Å²	103.6	64%	0.636	52%	0.519	S	S	*	.	H	α-helix	trans	-52.9	-28.3	-178.7	-27.1	33.2	0	0	0	114.3	A1230	P1226-A1230 WeakPolarHBondContact O-CB 3.44Å; P1226-A1230 PolarHBondContact O-N 2.79Å
1227	N	60.3	Low	66.2	Low	97 Å²	97	101.8 Å²	101.8	52%	0.519	51%	0.512	S	S	.	.	H	α-helix	trans	-68.2	-32	176.5	-78.7	-7.4	0	0	0	113.5	N1225 I1231	N1225-N1227 PolarHBondContact O-N 3.44Å; N1227-I1231 WeakPolarHBondContact O-CD1 3.37Å; N1227-I1231 WeakPolarHBondContact O-CG1 3.45Å; N1227-I1231 PolarHBondContact O-N 3.25Å
1228	R	72.8	Confident	66.4	Low	91 Å²	91	97.9 Å²	97.9	34%	0.343	50%	0.498	S	S	.	.	H	α-helix	trans	-70.3	-44.1	176.1	-177.2	176	177.1	-119.9	9.1	110.7	D1218 N1225 A1230 I1231 L1232	D1218-R1228 IonicContact OD1-CZ 2.67Å; D1218-R1228 IonicContact OD1-NE 2.83Å; D1218-R1228 PolarHBondContact OD1-NE 3.14Å; D1218-R1228 IonicContact OD1-NH2 3.41Å; D1218-R1228 PolarHBondContact OD1-NH2 3.21Å; N1225-R1228 PolarHBondContact O-N 3.12Å; R1228-A1230 VanDerWaalsContact C-N 3.29Å; R1228-A1230 PolarHBondContact O-N 3.17Å; R1228-I1231 PolarHBondContact O-N 3.22Å; R1228-L1232 HydrophobicContact CG-CD1 4.3Å; R1228-L1232 WeakPolarHBondContact O-CB 3.22Å; R1228-L1232 PolarHBondContact O-N 2.81Å
1229	D	70.2	Confident	66.9	Low	91 Å²	91	97.8 Å²	97.8	49%	0.487	49%	0.494	S	S	.	.	H	α-helix	trans	-65.9	-33.3	178	-70.5	-23	0	0	0	111.5	K1233	D1229-K1233 VanDerWaalsContact O-CB 3.23Å; D1229-K1233 WeakPolarHBondContact O-CB 3.14Å; D1229-K1233 PolarHBondContact O-N 2.97Å
1230	A	68.9	Low	67.2	Low	53 Å²	53	99 Å²	99	44%	0.438	49%	0.494	S	S	.	.	H	α-helix	trans	-66	-46.3	171.9	0	0	0	0	0	112.4	P1226 R1228 K1233 E1234	P1226-A1230 WeakPolarHBondContact O-CB 3.44Å; P1226-A1230 PolarHBondContact O-N 2.79Å; R1228-A1230 VanDerWaalsContact C-N 3.29Å; R1228-A1230 PolarHBondContact O-N 3.17Å; A1230-K1233 PolarHBondContact O-N 2.85Å; A1230-E1234 PolarHBondContact O-N 2.81Å
1231	I	76.1	Confident	67.8	Low	22 Å²	22	96.4 Å²	96.4	11%	0.113	48%	0.48	C	S	.	.	H	α-helix	trans	-63.7	-41.4	176	-67.5	165	0	0	0	110.8	L1210 L1214 Y1217 N1227 R1228 K1233 E1234 F1235	L1210-I1231 HydrophobicContact CD2-CG2 3.95Å; L1214-I1231 HydrophobicContact CD1-CG2 4.41Å; L1214-I1231 HydrophobicContact CD2-CG2 3.87Å; L1214-I1231 HydrophobicContact CG-CG2 3.78Å; Y1217-I1231 HydrophobicContact CD2-CD1 4.17Å; Y1217-I1231 HydrophobicContact CE2-CD1 3.64Å; N1227-I1231 WeakPolarHBondContact O-CD1 3.37Å; N1227-I1231 WeakPolarHBondContact O-CG1 3.45Å; N1227-I1231 PolarHBondContact O-N 3.25Å; R1228-I1231 PolarHBondContact O-N 3.22Å; I1231-K1233 VanDerWaalsContact C-N 3.34Å; I1231-E1234 PolarHBondContact O-N 3.5Å; I1231-F1235 VanDerWaalsContact O-CB 3.3Å; I1231-F1235 WeakPolarHBondContact O-CB 3.26Å; I1231-F1235 PolarHBondContact O-N 3.02Å
1232	L	76.8	Confident	68.9	Low	59 Å²	59	90.2 Å²	90.2	31%	0.309	45%	0.448	S	S	.	.	H	α-helix	trans	-65.5	-38.1	176.6	-126	126.5	0	0	0	111.5	L1214 R1228 F1235 N1236	L1214-L1232 HydrophobicContact CD2-CD1 3.7Å; L1214-L1232 HydrophobicContact CD2-CG 4.12Å; R1228-L1232 HydrophobicContact CG-CD1 4.3Å; R1228-L1232 WeakPolarHBondContact O-CB 3.22Å; R1228-L1232 PolarHBondContact O-N 2.81Å; L1232-F1235 PolarHBondContact O-N 3.22Å; L1232-N1236 WeakPolarHBondContact O-CB 3.41Å; L1232-N1236 VanDerWaalsContact O-CG 3.23Å; L1232-N1236 PolarHBondContact O-N 3.19Å; L1232-N1236 PolarHBondContact O-ND2 2.77Å; L1232-N1236 VanDerWaalsContact O-ND2 3.08Å
1233	K	76.4	Confident	69.8	Low	151 Å²	151	89 Å²	89	66%	0.657	44%	0.438	S	S	*	.	H	α-helix	trans	-66.7	-42.6	174.7	-169.6	177.9	-178.6	-176.8	0	111.1	D1229 A1230 I1231 N1236 V1237	D1229-K1233 VanDerWaalsContact O-CB 3.23Å; D1229-K1233 WeakPolarHBondContact O-CB 3.14Å; D1229-K1233 PolarHBondContact O-N 2.97Å; A1230-K1233 PolarHBondContact O-N 2.85Å; I1231-K1233 VanDerWaalsContact C-N 3.34Å; K1233-N1236 PolarHBondContact O-N 2.86Å; K1233-V1237 WeakPolarHBondContact O-CB 3.3Å; K1233-V1237 WeakPolarHBondContact O-CG2 3.2Å; K1233-V1237 PolarHBondContact O-N 2.84Å
1234	E	74.5	Confident	70.9	Confident	80 Å²	80	85 Å²	85	37%	0.374	42%	0.416	S	S	.	.	H	α-helix	trans	-63.5	-43.1	173.9	-165.5	-176	156.1	0	0	111.3	R1206 L1210 A1230 I1231 N1236 V1237 N1238	R1206-E1234 IonicContact CZ-OE1 2.77Å; R1206-E1234 VanDerWaalsContact CZ-OE1 3.32Å; R1206-E1234 IonicContact NE-OE1 3.38Å; R1206-E1234 PolarHBondContact NE-OE1 3.17Å; R1206-E1234 IonicContact NH2-OE1 2.74Å; R1206-E1234 PolarHBondContact NH2-OE1 2.77Å; R1206-E1234 IonicContact NH2-OE2 3.43Å; L1210-E1234 HydrophobicContact CD1-CB 4.41Å; L1210-E1234 HydrophobicContact CD1-CG 4Å; L1210-E1234 HydrophobicContact CD2-CB 4.45Å; L1210-E1234 HydrophobicContact CD2-CG 4.39Å; A1230-E1234 PolarHBondContact O-N 2.81Å; I1231-E1234 PolarHBondContact O-N 3.5Å; E1234-N1236 PolarHBondContact O-N 3.35Å; E1234-V1237 PolarHBondContact O-N 2.62Å; E1234-N1238 WeakPolarHBondContact O-CB 3.33Å; E1234-N1238 PolarHBondContact O-N 2.89Å
1235	F	83.7	Confident	71.7	Confident	36 Å²	36	76.7 Å²	76.7	16%	0.158	39%	0.386	C	S	.	.	H	α-helix	trans	-57.9	-48.1	175.7	-177.5	-84.9	0	0	0	111.9	Q1207 L1210 N1211 L1214 I1231 L1232 N1238 E1239	Q1207-F1235 HydrophobicContact CG-CE2 4.21Å; Q1207-F1235 VanDerWaalsContact NE2-CD2 3.33Å; Q1207-F1235 PolarHBondContact NE2-O 3.38Å; Q1207-F1235 VanDerWaalsContact NE2-O 3.15Å; L1210-F1235 HydrophobicContact CB-CB 4.47Å; L1210-F1235 HydrophobicContact CB-CD2 3.87Å; N1211-F1235 HydrophobicContact CB-CE2 3.96Å; L1214-F1235 HydrophobicContact CD1-CB 3.96Å; L1214-F1235 HydrophobicContact CD1-CD1 4.47Å; L1214-F1235 HydrophobicContact CD1-CD2 3.66Å; L1214-F1235 HydrophobicContact CD1-CE2 4.27Å; L1214-F1235 HydrophobicContact CD1-CG 3.78Å; I1231-F1235 VanDerWaalsContact O-CB 3.3Å; I1231-F1235 WeakPolarHBondContact O-CB 3.26Å; I1231-F1235 PolarHBondContact O-N 3.02Å; L1232-F1235 PolarHBondContact O-N 3.22Å; F1235-N1238 PolarHBondContact O-N 3.44Å; F1235-E1239 VanDerWaalsContact O-CB 3.32Å; F1235-E1239 WeakPolarHBondContact O-CB 3.47Å; F1235-E1239 PolarHBondContact O-N 2.85Å
1236	N	77.9	Confident	72.3	Confident	80 Å²	80	78.4 Å²	78.4	43%	0.428	39%	0.391	S	S	.	.	H	α-helix	trans	-67.8	-38.2	178.5	-71.1	-33.1	0	0	0	112.3	L1232 K1233 E1234 N1238 H1240	L1232-N1236 WeakPolarHBondContact O-CB 3.41Å; L1232-N1236 VanDerWaalsContact O-CG 3.23Å; L1232-N1236 PolarHBondContact O-N 3.19Å; L1232-N1236 PolarHBondContact O-ND2 2.77Å; L1232-N1236 VanDerWaalsContact O-ND2 3.08Å; K1233-N1236 PolarHBondContact O-N 2.86Å; E1234-N1236 PolarHBondContact O-N 3.35Å; N1236-N1238 VanDerWaalsContact C-N 3.34Å; N1236-H1240 VanDerWaalsContact O-CB 3.29Å; N1236-H1240 WeakPolarHBondContact O-CB 3.25Å; N1236-H1240 PolarHBondContact O-N 3.14Å
1237	V	76.1	Confident	73	Confident	73 Å²	73	79.9 Å²	79.9	44%	0.442	39%	0.39	S	S	.	.	H	α-helix	trans	-65.3	-41.5	175.1	168	0	0	0	0	110.6	K1233 E1234 H1240 K1241	K1233-V1237 WeakPolarHBondContact O-CB 3.3Å; K1233-V1237 WeakPolarHBondContact O-CG2 3.2Å; K1233-V1237 PolarHBondContact O-N 2.84Å; E1234-V1237 PolarHBondContact O-N 2.62Å; V1237-H1240 PolarHBondContact O-N 2.75Å; V1237-K1241 HydrophobicContact CG1-CD 4.46Å; V1237-K1241 WeakPolarHBondContact O-CG 3.4Å; V1237-K1241 PolarHBondContact O-N 2.74Å
1238	N	72.5	Confident	73.3	Confident	11 Å²	11	76.5 Å²	76.5	6%	0.059	37%	0.372	C	S	.	.	H	α-helix	trans	-70.7	-37.3	179.7	-164.3	41.1	0	0	0	111.6	L1203 Q1207 L1210 E1234 F1235 N1236 K1241 L1242	L1203-N1238 WeakPolarHBondContact CD2-OD1 3.31Å; L1203-N1238 PolarHBondContact O-ND2 2.91Å; Q1207-N1238 PolarHBondContact N-ND2 2.87Å; Q1207-N1238 VanDerWaalsContact N-ND2 3.17Å; Q1207-N1238 VanDerWaalsContact OE1-CG 3.25Å; Q1207-N1238 PolarHBondContact OE1-ND2 2.75Å; L1210-N1238 HydrophobicContact CD1-CB 4.34Å; E1234-N1238 WeakPolarHBondContact O-CB 3.33Å; E1234-N1238 PolarHBondContact O-N 2.89Å; F1235-N1238 PolarHBondContact O-N 3.44Å; N1236-N1238 VanDerWaalsContact C-N 3.34Å; N1238-K1241 PolarHBondContact O-N 3.04Å; N1238-L1242 WeakPolarHBondContact O-CB 3.31Å; N1238-L1242 PolarHBondContact O-N 3.06Å
1239	E	75.9	Confident	72.9	Confident	96 Å²	96	74 Å²	74	45%	0.449	37%	0.369	S	S	.	.	H	α-helix	trans	-63.7	-45.6	171.8	-166	175.2	-166.2	0	0	111.8	F1235 K1241 L1242 Q1243	F1235-E1239 VanDerWaalsContact O-CB 3.32Å; F1235-E1239 WeakPolarHBondContact O-CB 3.47Å; F1235-E1239 PolarHBondContact O-N 2.85Å; E1239-K1241 VanDerWaalsContact C-N 3.33Å; E1239-K1241 PolarHBondContact O-N 3.31Å; E1239-L1242 WeakPolarHBondContact O-CB 3.37Å; E1239-L1242 PolarHBondContact O-N 3.12Å; E1239-Q1243 PolarHBondContact O-N 3.12Å
1240	H	72.9	Confident	72.6	Confident	110 Å²	110	73.9 Å²	73.9	51%	0.509	37%	0.368	S	S	.	.	H	α-helix	trans	-63.2	-39.5	176.5	-172.3	-49.3	0	0	0	111.6	N1236 V1237 Q1243 I1244	N1236-H1240 VanDerWaalsContact O-CB 3.29Å; N1236-H1240 WeakPolarHBondContact O-CB 3.25Å; N1236-H1240 PolarHBondContact O-N 3.14Å; V1237-H1240 PolarHBondContact O-N 2.75Å; H1240-Q1243 PolarHBondContact O-N 2.75Å; H1240-I1244 VanDerWaalsContact CE1-CD1 3.46Å; H1240-I1244 WeakPolarHBondContact CE1-CD1 3.13Å; H1240-I1244 VanDerWaalsContact ND1-CD1 3.27Å; H1240-I1244 WeakPolarHBondContact ND1-CD1 3.29Å; H1240-I1244 WeakPolarHBondContact O-CG1 3.05Å; H1240-I1244 PolarHBondContact O-N 3.05Å
1241	K	70.1	Confident	72.4	Confident	105 Å²	105	78.5 Å²	78.5	46%	0.457	37%	0.374	S	S	.	.	H	α-helix	trans	-61	-48.1	172.7	-76.6	177.9	-179.8	-175.7	0	110.5	L1203 V1237 N1238 E1239 Q1243 I1244 Y1245	L1203-K1241 HydrophobicContact CD1-CB 4.4Å; L1203-K1241 HydrophobicContact CD2-CD 4.39Å; V1237-K1241 HydrophobicContact CG1-CD 4.46Å; V1237-K1241 WeakPolarHBondContact O-CG 3.4Å; V1237-K1241 PolarHBondContact O-N 2.74Å; N1238-K1241 PolarHBondContact O-N 3.04Å; E1239-K1241 VanDerWaalsContact C-N 3.33Å; E1239-K1241 PolarHBondContact O-N 3.31Å; K1241-Q1243 VanDerWaalsContact C-N 3.26Å; K1241-Q1243 PolarHBondContact O-N 3.11Å; K1241-I1244 PolarHBondContact O-N 2.79Å; K1241-Y1245 WeakPolarHBondContact O-CD2 3.32Å; K1241-Y1245 PolarHBondContact O-N 2.99Å
1242	L	75.6	Confident	71.6	Confident	24 Å²	24	80.7 Å²	80.7	13%	0.126	38%	0.381	C	S	.	.	H	α-helix	trans	-54.4	-41.6	175	-94.6	154.8	0	0	0	112.5	L1203 R1204 Q1207 N1238 E1239 Y1245 Q1246	L1203-L1242 HydrophobicContact CB-CD1 4.34Å; L1203-L1242 HydrophobicContact CB-CG 4.08Å; R1204-L1242 HydrophobicContact CG-CD1 4.48Å; R1204-L1242 HydrophobicContact CG-CD2 3.56Å; Q1207-L1242 HydrophobicContact CB-CD1 3.91Å; Q1207-L1242 HydrophobicContact CG-CD1 4.08Å; N1238-L1242 WeakPolarHBondContact O-CB 3.31Å; N1238-L1242 PolarHBondContact O-N 3.06Å; E1239-L1242 WeakPolarHBondContact O-CB 3.37Å; E1239-L1242 PolarHBondContact O-N 3.12Å; L1242-Y1245 PolarHBondContact O-N 2.78Å; L1242-Q1246 WeakPolarHBondContact O-CB 3.44Å; L1242-Q1246 PolarHBondContact O-N 3.47Å
1243	Q	72.4	Confident	70.6	Confident	114 Å²	114	82.5 Å²	82.5	53%	0.533	39%	0.39	S	S	.	.	H	α-helix	trans	-67.1	-43.5	178.7	-148	170.3	22.6	0	0	112.1	E1239 H1240 K1241 Y1245 Q1246 E1247	E1239-Q1243 PolarHBondContact O-N 3.12Å; H1240-Q1243 PolarHBondContact O-N 2.75Å; K1241-Q1243 VanDerWaalsContact C-N 3.26Å; K1241-Q1243 PolarHBondContact O-N 3.11Å; Q1243-Y1245 VanDerWaalsContact C-N 3.32Å; Q1243-Y1245 PolarHBondContact O-N 3.45Å; Q1243-Q1246 PolarHBondContact O-N 2.86Å; Q1243-E1247 WeakPolarHBondContact O-CG 3.14Å; Q1243-E1247 PolarHBondContact O-N 2.86Å
1244	I	71.6	Confident	69.5	Low	80 Å²	80	82.5 Å²	82.5	41%	0.41	39%	0.39	S	S	.	.	H	α-helix	trans	-58.9	-44.3	172.4	-67.2	165.9	0	0	0	110.6	H1240 K1241 Q1246 E1247 T1248	H1240-I1244 VanDerWaalsContact CE1-CD1 3.46Å; H1240-I1244 WeakPolarHBondContact CE1-CD1 3.13Å; H1240-I1244 VanDerWaalsContact ND1-CD1 3.27Å; H1240-I1244 WeakPolarHBondContact ND1-CD1 3.29Å; H1240-I1244 WeakPolarHBondContact O-CG1 3.05Å; H1240-I1244 PolarHBondContact O-N 3.05Å; K1241-I1244 PolarHBondContact O-N 2.79Å; I1244-Q1246 VanDerWaalsContact C-N 3.33Å; I1244-Q1246 PolarHBondContact O-N 3.22Å; I1244-E1247 PolarHBondContact O-N 2.8Å; I1244-T1248 WeakPolarHBondContact O-CB 3.35Å; I1244-T1248 PolarHBondContact O-N 2.82Å; I1244-T1248 PolarHBondContact O-OG1 3.41Å
1245	Y	70.3	Confident	68.4	Low	65 Å²	65	84 Å²	84	26%	0.255	40%	0.398	S	S	.	.	H	α-helix	trans	-62.8	-42.2	177.1	-82	-70.6	0	0	0	111.3	L1196 L1203 K1241 L1242 Q1243 T1248 C1249	L1196-Y1245 HydrophobicContact CD2-CD1 3.72Å; L1196-Y1245 HydrophobicContact CD2-CE1 3.66Å; L1203-Y1245 HydrophobicContact CD1-CD2 3.52Å; L1203-Y1245 HydrophobicContact CD1-CE2 3.27Å; K1241-Y1245 WeakPolarHBondContact O-CD2 3.32Å; K1241-Y1245 PolarHBondContact O-N 2.99Å; L1242-Y1245 PolarHBondContact O-N 2.78Å; Q1243-Y1245 VanDerWaalsContact C-N 3.32Å; Q1243-Y1245 PolarHBondContact O-N 3.45Å; Y1245-T1248 PolarHBondContact O-N 2.98Å; Y1245-C1249 WeakPolarHBondContact O-CB 3.24Å; Y1245-C1249 PolarHBondContact O-N 3.4Å; Y1245-C1249 PolarHBondContact O-SG 3.08Å; Y1245-C1249 VanDerWaalsContact O-SG 3.34Å
1246	Q	67.4	Low	66.8	Low	111 Å²	111	88 Å²	88	52%	0.519	41%	0.414	S	S	.	.	H	α-helix	trans	-65.4	-39.9	178.7	-145.6	167.7	9.4	0	0	111.9	L1242 Q1243 I1244 N1250	L1242-Q1246 WeakPolarHBondContact O-CB 3.44Å; L1242-Q1246 PolarHBondContact O-N 3.47Å; Q1243-Q1246 PolarHBondContact O-N 2.86Å; I1244-Q1246 VanDerWaalsContact C-N 3.33Å; I1244-Q1246 PolarHBondContact O-N 3.22Å; Q1246-N1250 VanDerWaalsContact O-CB 3.26Å; Q1246-N1250 WeakPolarHBondContact O-CB 3.5Å; Q1246-N1250 PolarHBondContact O-N 2.68Å; Q1246-N1250 PolarHBondContact O-ND2 2.81Å; Q1246-N1250 VanDerWaalsContact O-ND2 3.12Å
1247	E	70.9	Confident	65.3	Low	129 Å²	129	91.6 Å²	91.6	60%	0.603	43%	0.427	S	S	*	.	H	α-helix	trans	-65.2	-39.7	171.7	-74.2	-176.5	171	0	0	112.3	Q1243 I1244 N1250 R1251	Q1243-E1247 WeakPolarHBondContact O-CG 3.14Å; Q1243-E1247 PolarHBondContact O-N 2.86Å; I1244-E1247 PolarHBondContact O-N 2.8Å; E1247-N1250 PolarHBondContact O-N 2.78Å; E1247-R1251 WeakPolarHBondContact O-CB 3.22Å; E1247-R1251 PolarHBondContact O-N 3.26Å
1248	T	67.3	Low	63.8	Low	25 Å²	25	92.4 Å²	92.4	15%	0.153	43%	0.431	C	S	.	.	H	α-helix	trans	-65.7	-44.2	177.2	-57.2	0	0	0	0	111.4	I1244 Y1245 R1251 R1252	I1244-T1248 WeakPolarHBondContact O-CB 3.35Å; I1244-T1248 PolarHBondContact O-N 2.82Å; I1244-T1248 PolarHBondContact O-OG1 3.41Å; Y1245-T1248 PolarHBondContact O-N 2.98Å; T1248-R1251 PolarHBondContact O-N 3.25Å; T1248-R1252 WeakPolarHBondContact O-CG 3.25Å; T1248-R1252 PolarHBondContact O-N 3.14Å
1249	C	63.8	Low	62.2	Low	39 Å²	39	95.8 Å²	95.8	26%	0.264	46%	0.456	S	S	.	.	H	α-helix	trans	-61.3	-44.5	171.7	-70.8	0	0	0	0	111.6	Y1245 R1251 R1252 L1253	Y1245-C1249 WeakPolarHBondContact O-CB 3.24Å; Y1245-C1249 PolarHBondContact O-N 3.4Å; Y1245-C1249 PolarHBondContact O-SG 3.08Å; Y1245-C1249 VanDerWaalsContact O-SG 3.34Å; C1249-R1251 VanDerWaalsContact C-N 3.34Å; C1249-R1251 PolarHBondContact O-N 2.83Å; C1249-R1252 PolarHBondContact O-N 3.38Å; C1249-L1253 WeakPolarHBondContact O-CB 3.48Å; C1249-L1253 PolarHBondContact O-N 2.94Å
1250	N	63.9	Low	60.4	Low	88 Å²	88	97 Å²	97	47%	0.471	47%	0.465	S	S	.	.	H	α-helix	trans	-65.4	-34.7	178.2	-77	-28.2	0	0	0	112.7	Q1246 E1247 K1254	Q1246-N1250 VanDerWaalsContact O-CB 3.26Å; Q1246-N1250 WeakPolarHBondContact O-CB 3.5Å; Q1246-N1250 PolarHBondContact O-N 2.68Å; Q1246-N1250 PolarHBondContact O-ND2 2.81Å; Q1246-N1250 VanDerWaalsContact O-ND2 3.12Å; E1247-N1250 PolarHBondContact O-N 2.78Å; N1250-K1254 WeakPolarHBondContact O-CB 3.15Å; N1250-K1254 WeakPolarHBondContact O-CG 3.01Å; N1250-K1254 PolarHBondContact O-N 3.38Å
1251	R	64.7	Low	58.9	Low	150 Å²	150	95.1 Å²	95.1	57%	0.566	47%	0.465	S	S	*	.	H	α-helix	trans	-66.4	-47.3	173.3	-174.8	174.6	64.1	-164	-2.9	111	E1247 T1248 C1249 L1253 K1254 E1255	E1247-R1251 WeakPolarHBondContact O-CB 3.22Å; E1247-R1251 PolarHBondContact O-N 3.26Å; T1248-R1251 PolarHBondContact O-N 3.25Å; C1249-R1251 VanDerWaalsContact C-N 3.34Å; C1249-R1251 PolarHBondContact O-N 2.83Å; R1251-L1253 VanDerWaalsContact C-N 3.33Å; R1251-L1253 PolarHBondContact O-N 3.12Å; R1251-K1254 WeakPolarHBondContact O-CB 3.16Å; R1251-K1254 PolarHBondContact O-N 2.86Å; R1251-K1254 VanDerWaalsContact O-N 3.13Å; R1251-E1255 WeakPolarHBondContact O-CG 3.43Å; R1251-E1255 PolarHBondContact O-N 3.41Å
1252	R	59.2	Low	57.3	Low	69 Å²	69	97.8 Å²	97.8	26%	0.26	48%	0.476	S	S	.	.	H	α-helix	trans	-62.2	-37.3	174.9	-70.7	-173.1	-176.3	-163.9	4.4	112.4	E1191 L1196 T1248 C1249 E1255 K1256	E1191-R1252 IonicContact OE2-NH2 3.62Å; E1191-R1252 PolarHBondContact OE2-NH2 3.49Å; L1196-R1252 VanDerWaalsContact CD1-NH2 3.3Å; T1248-R1252 WeakPolarHBondContact O-CG 3.25Å; T1248-R1252 PolarHBondContact O-N 3.14Å; C1249-R1252 PolarHBondContact O-N 3.38Å; R1252-E1255 PolarHBondContact O-N 2.91Å; R1252-K1256 PolarHBondContact O-N 2.91Å
1253	L	54.7	Low	55.5	Low	97 Å²	97	105.4 Å²	105.4	51%	0.508	51%	0.509	S	S	.	.	H	α-helix	trans	-65.5	-37.8	172.6	-89.9	154.7	0	0	0	112.8	C1249 R1251 K1257	C1249-L1253 WeakPolarHBondContact O-CB 3.48Å; C1249-L1253 PolarHBondContact O-N 2.94Å; R1251-L1253 VanDerWaalsContact C-N 3.33Å; R1251-L1253 PolarHBondContact O-N 3.12Å; L1253-K1257 WeakPolarHBondContact O-CG 3.33Å; L1253-K1257 PolarHBondContact O-N 2.96Å
1254	K	54.3	Low	54	Low	150 Å²	150	110.3 Å²	110.3	65%	0.652	52%	0.524	S	S	*	.	H	α-helix	trans	-68.1	-40.4	172.9	-80.4	177.9	177.9	177.4	0	111.6	N1250 R1251 K1257 V1258	N1250-K1254 WeakPolarHBondContact O-CB 3.15Å; N1250-K1254 WeakPolarHBondContact O-CG 3.01Å; N1250-K1254 PolarHBondContact O-N 3.38Å; R1251-K1254 WeakPolarHBondContact O-CB 3.16Å; R1251-K1254 PolarHBondContact O-N 2.86Å; R1251-K1254 VanDerWaalsContact O-N 3.13Å; K1254-K1257 PolarHBondContact O-N 3.19Å; K1254-V1258 VanDerWaalsContact O-CG2 3.27Å; K1254-V1258 WeakPolarHBondContact O-CG2 3.45Å; K1254-V1258 PolarHBondContact O-N 3.48Å
1255	E	51.3	Low	52.2	Low	113 Å²	113	113.8 Å²	113.8	53%	0.528	56%	0.555	S	S	.	*	H	α-helix	trans	-63.8	-41.2	175.2	-72.7	165.9	-177.5	0	0	111.9	R1251 R1252 K1257 V1258 S1259	R1251-E1255 WeakPolarHBondContact O-CG 3.43Å; R1251-E1255 PolarHBondContact O-N 3.41Å; R1252-E1255 PolarHBondContact O-N 2.91Å; E1255-K1257 PolarHBondContact O-N 3.48Å; E1255-V1258 PolarHBondContact O-N 2.85Å; E1255-S1259 PolarHBondContact O-N 3.37Å
1256	K	49.3	Very low	51.3	Low	118 Å²	118	116.2 Å²	116.2	51%	0.513	57%	0.57	S	S	.	*	H	α-helix	trans	-62.1	-37.7	170.4	-77.5	-178	-178	172	0	112.2	E1193 R1252 S1259 N1260	E1193-K1256 IonicContact OE1-NZ 3.67Å; E1193-K1256 PolarHBondContact OE1-NZ 3.44Å; E1193-K1256 IonicContact OE2-NZ 2.71Å; R1252-K1256 PolarHBondContact O-N 2.91Å; K1256-S1259 PolarHBondContact O-N 3.48Å; K1256-N1260 PolarHBondContact O-N 2.82Å; K1256-N1260 VanDerWaalsContact O-N 3.17Å
1257	K	46.3	Very low	50.5	Low	157 Å²	157	116.5 Å²	116.5	68%	0.683	57%	0.573	S	S	*	*	H	α-helix	trans	-70	-34.3	174.7	-78.9	-178	176.4	-178.5	0	113.8	L1253 K1254 E1255 N1260 S1261	L1253-K1257 WeakPolarHBondContact O-CG 3.33Å; L1253-K1257 PolarHBondContact O-N 2.96Å; K1254-K1257 PolarHBondContact O-N 3.19Å; E1255-K1257 PolarHBondContact O-N 3.48Å; K1257-N1260 PolarHBondContact O-N 2.84Å; K1257-S1261 PolarHBondContact O-N 2.61Å; K1257-S1261 VanDerWaalsContact O-N 3.1Å
1258	V	45.9	Very low	49.4	Very low	89 Å²	89	115.8 Å²	115.8	54%	0.539	57%	0.571	S	S	.	*	H	α-helix	trans	-73.5	-29.6	176	173.3	0	0	0	0	111.4	K1254 E1255 S1261	K1254-V1258 VanDerWaalsContact O-CG2 3.27Å; K1254-V1258 WeakPolarHBondContact O-CG2 3.45Å; K1254-V1258 PolarHBondContact O-N 3.48Å; E1255-V1258 PolarHBondContact O-N 2.85Å; V1258-S1261 PolarHBondContact O-OG 3.17Å; V1258-S1261 VanDerWaalsContact O-OG 3.13Å
1259	S	39	Very low	48.3	Very low	83 Å²	83	121.1 Å²	121.1	58%	0.58	60%	0.596	S	S	*	*	H	α-helix	trans	-67.1	-41.9	170	-167.8	0	0	0	0	111.9	E1255 K1256 S1261 K1262	E1255-S1259 PolarHBondContact O-N 3.37Å; K1256-S1259 PolarHBondContact O-N 3.48Å; S1259-S1261 PolarHBondContact O-N 3.28Å; S1259-K1262 PolarHBondContact O-N 3.31Å
1260	N	38.7	Very low	47.3	Very low	121 Å²	121	126.3 Å²	126.3	65%	0.647	62%	0.617	S	S	*	*	H	α-helix	trans	-73.2	-21.9	177.9	-73	-5.5	0	0	0	113.9	K1256 K1257 F1263	K1256-N1260 PolarHBondContact O-N 2.82Å; K1256-N1260 VanDerWaalsContact O-N 3.17Å; K1257-N1260 PolarHBondContact O-N 2.84Å; N1260-F1263 PolarHBondContact O-N 3Å
1261	S	39.8	Very low	46.2	Very low	71 Å²	71	128.8 Å²	128.8	50%	0.497	63%	0.626	S	S	.	*	H	α-helix	trans	-79.1	-15.8	176	72.9	0	0	0	0	113.9	K1257 V1258 S1259 F1263	K1257-S1261 PolarHBondContact O-N 2.61Å; K1257-S1261 VanDerWaalsContact O-N 3.1Å; V1258-S1261 PolarHBondContact O-OG 3.17Å; V1258-S1261 VanDerWaalsContact O-OG 3.13Å; S1259-S1261 PolarHBondContact O-N 3.28Å; S1261-F1263 VanDerWaalsContact C-N 3.26Å
1262	K	37.3	Very low	44.9	Very low	161 Å²	161	127.3 Å²	127.3	70%	0.7	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	-3.4	172	-79.5	-172.8	176.8	-179.1	0	113.8	S1259	S1259-K1262 PolarHBondContact O-N 3.31Å
1263	F	38.1	Very low	43.8	Very low	183 Å²	183	131.8 Å²	131.8	80%	0.803	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-8.2	174.9	-140.1	-91.2	0	0	0	112.8	N1260 S1261	N1260-F1263 PolarHBondContact O-N 3Å; S1261-F1263 VanDerWaalsContact C-N 3.26Å
1264	Y	40.1	Very low	42.9	Very low	218 Å²	218	134.7 Å²	134.7	86%	0.855	67%	0.672	S	S	*	*			trans	-127.4	40.2	175.3	-79.7	-79.4	0	0	0	112.7
1265	S	34.9	Very low	41.9	Very low	152 Å²	152	133.3 Å²	133.3	100%	1.063	67%	0.673	S	S	*	*			trans	-141.3	0	160.1	66.9	0	0	0	0	108

Retrieved 1,265 of 1,265 residues in 1501.6 ms (Link to these results)

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