A0A077YWR0_TRITR Loading...

EPL1 and zf-HC5HC2H 2 and PHD 2 and Bromodomain d omain containing protein

AlphaFold DB , UniProt , Accession A0A077YWR0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 848 aa.

						>A0A077YWR0_TRITR|A0A077YWR0
MVGVNAEVRKLIDQLRASKPPFRCPRNGCDRVYKSFSGIKSHLATCQAACSATPVSLPGPSSRKSQRPMSWLQAQENIEISLGGSVVTLRIWENHEVLPLAGIAKTSADEASPSKESRRESSLRKITDKACPPRRAAFRRHFILTRCVISLGKSLEHGFETNLKYRPRKAPSMPGAYIRLADTALWGTGDGESDEVEYDMDDEDVHWLQAMNNSRSSLNLPRVSDSIFEYLFDRLEKESYFQSPNGPQEGLVDDDAVCCVCNDGECENTNVILFCDMCNLAVHQECYGVPYIPEGQWLCKRCLLSPSEPVSCCLCPNLGGAMKQTSDNRWAHVACALWIPEVHFANSVFLEPIEGIHRVPPARRRLICYICKQRDVGACIQCNKSNCYTAFHVTCALSANWHLKFELGRDDSELVVVHKTSLCDMHGPVEERSKGLDGQCETVRLQQRREQSRQNIRKTRKLLAEKRTASSTILVPVIPMKRLSQIISKVKIARKKEFFERLRAFWMLKRRSRFGVPLLRRLQVSQQTARITSYRNTSVMIRQYAKLWHNARTSLEMGRLVLELLRKREKQEREIAMQLRKVDNHKLWPIKDFLLDVLDQLDKVDEDGVFAEPVDANRVRGYRDIIKHPMDLSTMRSNVLSLRYLDVDEFAKDFELMVNNCLKFNEGNHYFYSEGLRMKKEGGKIIQRAVVQFKKYDMTPLLDSSDESDVDSSEGKMNFLERKCSSEGNSPYATRSMNSAEKCNSSSSTTPSYSAISSQMNKVVSSPNLSNCVSTEITKKDGEPQAKRSRIPSSSASSPFKRMLSSFSPASAADVNKIGNSTVAVENKLPNLFYQFRGGKYSSNLTYF
					

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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	31.8	Very low	53.9	Low	238 Å²	238	116.8 Å²	116.8	100%	1.172	64%	0.636	S	S	*	*				0	121.5	0	-88.3	176.4	47.7	0	0	108.6
2	V	33.9	Very low	55.2	Low	146 Å²	146	109.5 Å²	109.5	89%	0.885	60%	0.596	S	S	*	*			trans	-57.6	137.8	-175.5	-179.7	0	0	0	0	111.1	V4	V2-V4 PolarHBondContact O-N 3.07Å
3	G	38.9	Very low	56.7	Low	68 Å²	68	108.3 Å²	108.3	70%	0.701	59%	0.589	S	S	*	*			trans	-57.3	119.4	-171.1	0	0	0	0	0	113.6	N5	G3-N5 PolarHBondContact O-N 2.99Å
4	V	40.5	Very low	57.9	Low	73 Å²	73	110.2 Å²	110.2	44%	0.442	59%	0.592	S	S	.	*			trans	-69.5	114.5	168.3	-179.8	0	0	0	0	107.6	V2 V8	V2-V4 PolarHBondContact O-N 3.07Å; V4-V8 HydrophobicContact CG1-CB 3.64Å; V4-V8 HydrophobicContact CG1-CG1 3.53Å; V4-V8 HydrophobicContact CG1-CG2 4.45Å
5	N	51.5	Low	59	Low	124 Å²	124	104 Å²	104	66%	0.663	56%	0.558	S	S	*	*			trans	-47.9	141.2	-177.6	-114.6	-18.4	0	0	0	111.8	G3 E7 V8 R9	G3-N5 PolarHBondContact O-N 2.99Å; N5-E7 PolarHBondContact O-N 3.34Å; N5-V8 WeakPolarHBondContact O-CB 3.43Å; N5-V8 PolarHBondContact O-N 3.24Å; N5-R9 PolarHBondContact O-N 3.33Å
6	A	64.4	Low	59.9	Low	75 Å²	75	107.7 Å²	107.7	62%	0.62	56%	0.562	S	S	*	*	H	α-helix	trans	-55.3	-31.1	-173.5	0	0	0	0	0	113.5	R9 K10	A6-R9 PolarHBondContact O-N 3.41Å; A6-K10 PolarHBondContact O-N 3.04Å
7	E	58.8	Low	60.9	Low	159 Å²	159	106.7 Å²	106.7	74%	0.743	57%	0.573	S	S	*	*	H	α-helix	trans	-63.4	-39.8	175	-63	-174.9	155.3	0	0	112.9	N5 R9 K10 L11	N5-E7 PolarHBondContact O-N 3.34Å; E7-R9 VanDerWaalsContact C-N 3.3Å; E7-R9 PolarHBondContact O-N 3.47Å; E7-K10 PolarHBondContact O-N 2.97Å; E7-L11 WeakPolarHBondContact O-CB 3.45Å; E7-L11 PolarHBondContact O-N 3.5Å
8	V	62.6	Low	61.5	Low	48 Å²	48	103.6 Å²	103.6	29%	0.291	56%	0.561	S	S	.	*	H	α-helix	trans	-67	-33.4	178.2	177.8	0	0	0	0	110.8	V4 N5 L11 I12	V4-V8 HydrophobicContact CG1-CB 3.64Å; V4-V8 HydrophobicContact CG1-CG1 3.53Å; V4-V8 HydrophobicContact CG1-CG2 4.45Å; N5-V8 WeakPolarHBondContact O-CB 3.43Å; N5-V8 PolarHBondContact O-N 3.24Å; V8-L11 PolarHBondContact O-N 2.98Å; V8-I12 HydrophobicContact CG1-CD1 4Å; V8-I12 HydrophobicContact CG1-CG1 4.45Å; V8-I12 VanDerWaalsContact O-CG1 3.23Å; V8-I12 WeakPolarHBondContact O-CG1 3.41Å; V8-I12 PolarHBondContact O-N 3.39Å
9	R	67.9	Low	62.4	Low	158 Å²	158	108 Å²	108	60%	0.596	57%	0.574	S	S	*	*	H	α-helix	trans	-66.8	-48.6	175.6	-70.3	-176.7	-178	167.4	0.2	111.8	N5 A6 E7 L11 I12 D13	N5-R9 PolarHBondContact O-N 3.33Å; A6-R9 PolarHBondContact O-N 3.41Å; E7-R9 VanDerWaalsContact C-N 3.3Å; E7-R9 PolarHBondContact O-N 3.47Å; R9-L11 PolarHBondContact O-N 3.3Å; R9-I12 PolarHBondContact O-N 3.45Å; R9-I12 VanDerWaalsContact O-N 3.13Å; R9-D13 PolarHBondContact O-N 2.65Å
10	K	72.4	Confident	63.2	Low	156 Å²	156	106.4 Å²	106.4	68%	0.678	57%	0.57	S	S	*	*	H	α-helix	trans	-56.3	-40.5	174.8	-83.2	-173.5	175.7	-180	0	111.7	A6 E7 D13 Q14	A6-K10 PolarHBondContact O-N 3.04Å; E7-K10 PolarHBondContact O-N 2.97Å; K10-D13 PolarHBondContact O-N 2.91Å; K10-Q14 WeakPolarHBondContact O-CG 3.23Å; K10-Q14 PolarHBondContact O-N 3.27Å
11	L	69.8	Low	63.9	Low	40 Å²	40	105.8 Å²	105.8	21%	0.209	57%	0.572	C	S	.	*	H	α-helix	trans	-65.2	-42.3	177.6	-170.9	77.9	0	0	0	112.7	E7 V8 R9 D13 Q14 L15 P25 L43	E7-L11 WeakPolarHBondContact O-CB 3.45Å; E7-L11 PolarHBondContact O-N 3.5Å; V8-L11 PolarHBondContact O-N 2.98Å; R9-L11 PolarHBondContact O-N 3.3Å; L11-D13 VanDerWaalsContact C-N 3.3Å; L11-D13 PolarHBondContact O-N 3.47Å; L11-Q14 PolarHBondContact O-N 3.39Å; L11-L15 HydrophobicContact CG-CD1 4.38Å; L11-L15 WeakPolarHBondContact O-CB 3.47Å; L11-L15 WeakPolarHBondContact O-CG 3.38Å; L11-L15 PolarHBondContact O-N 3.43Å; L11-P25 HydrophobicContact CD1-CB 3.81Å; L11-P25 HydrophobicContact CD1-CG 3.38Å; L11-P25 HydrophobicContact CD2-CB 4.5Å; L11-P25 HydrophobicContact CD2-CG 3.28Å; L11-P25 HydrophobicContact CG-CG 3.72Å; L11-L43 HydrophobicContact CD2-CD1 3.93Å; L11-L43 HydrophobicContact CD2-CD2 3.77Å
12	I	69.5	Low	66.3	Low	29 Å²	29	95.1 Å²	95.1	15%	0.149	52%	0.519	C	S	.	.	H	α-helix	trans	-61	-40.5	175	-74.1	170.7	0	0	0	110.7	V8 R9 L15 R16 F36 L43	V8-I12 HydrophobicContact CG1-CD1 4Å; V8-I12 HydrophobicContact CG1-CG1 4.45Å; V8-I12 VanDerWaalsContact O-CG1 3.23Å; V8-I12 WeakPolarHBondContact O-CG1 3.41Å; V8-I12 PolarHBondContact O-N 3.39Å; R9-I12 PolarHBondContact O-N 3.45Å; R9-I12 VanDerWaalsContact O-N 3.13Å; I12-L15 PolarHBondContact O-N 3.24Å; I12-R16 WeakPolarHBondContact O-CG 3.39Å; I12-R16 PolarHBondContact O-N 3.36Å; I12-F36 HydrophobicContact CG2-CZ 3.86Å; I12-L43 HydrophobicContact CG1-CD1 4.42Å
13	D	75.7	Confident	68.5	Low	94 Å²	94	94.9 Å²	94.9	50%	0.503	50%	0.502	S	S	.	.	H	α-helix	trans	-69.2	-40.2	178.8	-68.5	-28.7	0	0	0	112.1	R9 K10 L11 L15 R16 A17	R9-D13 PolarHBondContact O-N 2.65Å; K10-D13 PolarHBondContact O-N 2.91Å; L11-D13 VanDerWaalsContact C-N 3.3Å; L11-D13 PolarHBondContact O-N 3.47Å; D13-L15 VanDerWaalsContact C-N 3.34Å; D13-L15 PolarHBondContact O-N 3.18Å; D13-R16 WeakPolarHBondContact O-CB 3.5Å; D13-R16 PolarHBondContact O-N 3.14Å; D13-A17 PolarHBondContact O-N 2.8Å
14	Q	73.7	Confident	70.6	Confident	135 Å²	135	92 Å²	92	63%	0.631	47%	0.472	S	S	*	.	H	α-helix	trans	-61.7	-41.1	171.7	-73.5	176.3	-7.7	0	0	112.1	K10 L11 R16 A17 S18	K10-Q14 WeakPolarHBondContact O-CG 3.23Å; K10-Q14 PolarHBondContact O-N 3.27Å; L11-Q14 PolarHBondContact O-N 3.39Å; Q14-R16 VanDerWaalsContact C-N 3.31Å; Q14-R16 PolarHBondContact O-N 3.38Å; Q14-A17 PolarHBondContact O-N 3.29Å; Q14-S18 PolarHBondContact O-N 2.79Å
15	L	73.9	Confident	72.4	Confident	17 Å²	17	91.5 Å²	91.5	9%	0.089	47%	0.47	C	S	.	.	H	α-helix	trans	-69	-25	176.2	-75	170.1	0	0	0	113.2	L11 I12 D13 A17 S18 F22 F36 I39 L43	L11-L15 HydrophobicContact CG-CD1 4.38Å; L11-L15 WeakPolarHBondContact O-CB 3.47Å; L11-L15 WeakPolarHBondContact O-CG 3.38Å; L11-L15 PolarHBondContact O-N 3.43Å; I12-L15 PolarHBondContact O-N 3.24Å; D13-L15 VanDerWaalsContact C-N 3.34Å; D13-L15 PolarHBondContact O-N 3.18Å; L15-A17 VanDerWaalsContact C-N 3.32Å; L15-S18 PolarHBondContact O-OG 3.21Å; L15-F22 HydrophobicContact CD2-CB 4.39Å; L15-F22 HydrophobicContact CD2-CD1 4.07Å; L15-F22 WeakPolarHBondContact O-CE1 3.37Å; L15-F36 HydrophobicContact CB-CD2 4.34Å; L15-F36 HydrophobicContact CB-CE2 3.78Å; L15-I39 HydrophobicContact CD1-CD1 3.76Å; L15-I39 HydrophobicContact CD1-CG1 4.13Å; L15-I39 HydrophobicContact CD1-CG2 4.38Å; L15-I39 HydrophobicContact CD2-CD1 3.97Å; L15-L43 HydrophobicContact CD1-CD1 3.62Å
16	R	74.1	Confident	73.6	Confident	163 Å²	163	91.5 Å²	91.5	62%	0.615	46%	0.46	S	S	*	.	H	α-helix	trans	-71.1	-30.5	171.7	-77.7	-177.7	178.3	-174.5	0.4	112.3	I12 D13 Q14 F36	I12-R16 WeakPolarHBondContact O-CG 3.39Å; I12-R16 PolarHBondContact O-N 3.36Å; D13-R16 WeakPolarHBondContact O-CB 3.5Å; D13-R16 PolarHBondContact O-N 3.14Å; Q14-R16 VanDerWaalsContact C-N 3.31Å; Q14-R16 PolarHBondContact O-N 3.38Å; R16-F36 HydrophobicContact CB-CE2 4.27Å; R16-F36 HydrophobicContact CB-CZ 4.48Å; R16-F36 HydrophobicContact CG-CD2 4.25Å; R16-F36 HydrophobicContact CG-CE1 3.95Å; R16-F36 HydrophobicContact CG-CE2 3.46Å; R16-F36 VanDerWaalsContact CG-CE2 3.46Å; R16-F36 HydrophobicContact CG-CZ 3.27Å
17	A	75.6	Confident	73.9	Confident	91 Å²	91	95.9 Å²	95.9	75%	0.752	47%	0.473	S	S	*	.	H	α-helix	trans	-81.3	-17.3	178.8	0	0	0	0	0	112.9	D13 Q14 L15	D13-A17 PolarHBondContact O-N 2.8Å; Q14-A17 PolarHBondContact O-N 3.29Å; L15-A17 VanDerWaalsContact C-N 3.32Å
18	S	72.7	Confident	74.5	Confident	51 Å²	51	91.3 Å²	91.3	36%	0.357	47%	0.469	S	S	.	.	S	Bend	trans	-89.4	158.7	178.7	67.5	0	0	0	0	112.8	Q14 L15 F22	Q14-S18 PolarHBondContact O-N 2.79Å; L15-S18 PolarHBondContact O-OG 3.21Å; S18-F22 WeakPolarHBondContact O-CE1 3.46Å
19	K	78.4	Confident	75.3	Confident	187 Å²	187	89.2 Å²	89.2	81%	0.813	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-96.9	146.4	174.9	-68.1	179.4	-177.9	175	0	109.7
20	P	79	Confident	75.8	Confident	75 Å²	75	86.1 Å²	86.1	49%	0.487	45%	0.452	S	S	.	.	S	Bend	trans	-59.8	151.8	174.2	23.9	-31.4	0	0	0	111.1	F22 K34	P20-F22 HydrophobicContact CB-CD2 3.94Å; P20-F22 HydrophobicContact CB-CE2 3.64Å; P20-F22 HydrophobicContact CB-CZ 4.16Å; P20-F22 HydrophobicContact CG-CE2 4.14Å; P20-F22 HydrophobicContact CG-CZ 4.37Å; P20-K34 WeakPolarHBondContact CB-O 3.42Å
21	P	77.2	Confident	76.3	Confident	95 Å²	95	84.9 Å²	84.9	62%	0.617	44%	0.443	S	S	*	.	S	Bend	cis	-81.9	136.5	9.2	32	-34.9	0	0	0	114.3	V32	P21-V32 HydrophobicContact CB-CG1 3.46Å; P21-V32 VanDerWaalsContact CB-CG1 3.46Å; P21-V32 HydrophobicContact CG-CG1 4.31Å
22	F	81.7	Confident	76.9	Confident	14 Å²	14	86.6 Å²	86.6	6%	0.061	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	113.3	-178.5	-55.5	-75.7	0	0	0	110.8	L15 S18 P20 V32 Y33 F36 I39	L15-F22 HydrophobicContact CD2-CB 4.39Å; L15-F22 HydrophobicContact CD2-CD1 4.07Å; L15-F22 WeakPolarHBondContact O-CE1 3.37Å; S18-F22 WeakPolarHBondContact O-CE1 3.46Å; P20-F22 HydrophobicContact CB-CD2 3.94Å; P20-F22 HydrophobicContact CB-CE2 3.64Å; P20-F22 HydrophobicContact CB-CZ 4.16Å; P20-F22 HydrophobicContact CG-CE2 4.14Å; P20-F22 HydrophobicContact CG-CZ 4.37Å; F22-V32 CarbonylContact O-C 3.53Å; F22-V32 WeakPolarHBondContact O-CA 3.37Å; F22-Y33 WeakPolarHBondContact CD2-O 3.35Å; F22-Y33 PolarHBondContact N-O 3.48Å; F22-Y33 PolarHBondContact O-N 3Å; F22-F36 HydrophobicContact CE2-CB 4.12Å; F22-F36 HydrophobicContact CZ-CB 4.23Å; F22-I39 HydrophobicContact CB-CB 4.07Å; F22-I39 HydrophobicContact CB-CD1 3.6Å; F22-I39 HydrophobicContact CB-CG1 4.44Å; F22-I39 HydrophobicContact CB-CG2 3.87Å; F22-I39 HydrophobicContact CD2-CG2 4.35Å; F22-I39 HydrophobicContact CG-CG2 4.09Å
23	R	81.1	Confident	77.5	Confident	141 Å²	141	87.9 Å²	87.9	53%	0.532	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	139.6	177.9	-157.2	167.3	-142.6	-83.6	3.3	110.3	D30 V32 I39	R23-D30 IonicContact CZ-OD1 3.51Å; R23-D30 IonicContact NH1-OD1 2.7Å; R23-D30 PolarHBondContact NH1-OD1 3.38Å; R23-D30 IonicContact NH2-OD1 3.43Å; R23-D30 PolarHBondContact NH2-OD1 3.03Å; R23-V32 HydrophobicContact CB-CG2 4.33Å; R23-V32 HydrophobicContact CG-CG2 3.85Å; R23-I39 WeakPolarHBondContact O-CD1 3.28Å
24	C	82.5	Confident	77.7	Confident	8 Å²	8	92.5 Å²	92.5	5%	0.054	47%	0.474	C	S	.	.			trans	-63.3	128.7	173.6	-170.8	0	0	0	0	109.4	R26 C29 R31 H42	C24-R26 VanDerWaalsContact C-N 3.35Å; C24-C29 HydrophobicContact CB-CB 4.18Å; C24-R31 PolarHBondContact N-O 3.45Å; C24-H42 PolarHBondContact SG-NE2 3.13Å; C24-H42 VanDerWaalsContact SG-NE2 3.35Å
25	P	77.4	Confident	78.1	Confident	62 Å²	62	89 Å²	89	40%	0.403	46%	0.464	S	S	.	.			trans	-88.3	0.3	-178.1	32.9	-32.2	0	0	0	113.3	L11 N27 L43	L11-P25 HydrophobicContact CD1-CB 3.81Å; L11-P25 HydrophobicContact CD1-CG 3.38Å; L11-P25 HydrophobicContact CD2-CB 4.5Å; L11-P25 HydrophobicContact CD2-CG 3.28Å; L11-P25 HydrophobicContact CG-CG 3.72Å; P25-N27 PolarHBondContact O-N 2.94Å; P25-L43 HydrophobicContact CG-CD2 4.4Å
26	R	76.6	Confident	78.5	Confident	124 Å²	124	90.7 Å²	90.7	47%	0.468	47%	0.471	S	S	.	.	S	Bend	trans	-78.4	123.8	180	-159.3	174.4	-165.7	165.8	0.3	109.6	C24 G28 C29 C46	C24-R26 VanDerWaalsContact C-N 3.35Å; R26-G28 PolarHBondContact O-N 3.13Å; R26-C29 HydrophobicContact CB-CB 4.44Å; R26-C29 PolarHBondContact O-N 3.29Å; R26-C46 VanDerWaalsContact NH1-C 3.34Å; R26-C46 PolarHBondContact NH1-O 3.2Å
27	N	70.6	Confident	78.8	Confident	166 Å²	166	87.3 Å²	87.3	89%	0.888	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	125.6	176.9	-74.4	-12.2	0	0	0	110.6	P25	P25-N27 PolarHBondContact O-N 2.94Å
28	G	72.7	Confident	79.1	Confident	63 Å²	63	83.9 Å²	83.9	65%	0.649	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.7	-3.6	-176.1	0	0	0	0	0	115.8	R26 C50	R26-G28 PolarHBondContact O-N 3.13Å; G28-C50 VanDerWaalsContact O-O 3.14Å
29	C	78	Confident	79.6	Confident	5 Å²	5	81.4 Å²	81.4	3%	0.034	43%	0.429	C	S	.	.			trans	-114.2	105.7	178.3	-170.3	0	0	0	0	112.4	C24 R26 R31 H42 C50	C24-C29 HydrophobicContact CB-CB 4.18Å; R26-C29 HydrophobicContact CB-CB 4.44Å; R26-C29 PolarHBondContact O-N 3.29Å; C29-R31 VanDerWaalsContact C-N 3.32Å; C29-R31 PolarHBondContact O-N 3.25Å; C29-H42 PolarHBondContact SG-NE2 3.46Å; C29-C50 HydrophobicContact CB-CB 4.35Å; C29-C50 VanDerWaalsContact SG-SG 3.64Å
30	D	79.6	Confident	79.6	Confident	93 Å²	93	77.6 Å²	77.6	50%	0.497	41%	0.412	S	S	.	.			trans	-88.6	15.9	-179.1	-75.2	-47.9	0	0	0	114.9	R23	R23-D30 IonicContact CZ-OD1 3.51Å; R23-D30 IonicContact NH1-OD1 2.7Å; R23-D30 PolarHBondContact NH1-OD1 3.38Å; R23-D30 IonicContact NH2-OD1 3.43Å; R23-D30 PolarHBondContact NH2-OD1 3.03Å
31	R	81.5	Confident	79.5	Confident	129 Å²	129	77.8 Å²	77.8	49%	0.487	42%	0.415	S	S	.	.			trans	-71.5	139.4	-176.1	-70.1	-173.5	-178.7	176.4	2.1	112.6	C24 C29 Y33	C24-R31 PolarHBondContact N-O 3.45Å; C29-R31 VanDerWaalsContact C-N 3.32Å; C29-R31 PolarHBondContact O-N 3.25Å; R31-Y33 HydrophobicContact CB-CE2 3.92Å
32	V	83.8	Confident	79.7	Confident	76 Å²	76	73.6 Å²	73.6	46%	0.461	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	132.7	-177	179.9	0	0	0	0	110.4	P21 F22 R23	P21-V32 HydrophobicContact CB-CG1 3.46Å; P21-V32 VanDerWaalsContact CB-CG1 3.46Å; P21-V32 HydrophobicContact CG-CG1 4.31Å; F22-V32 CarbonylContact O-C 3.53Å; F22-V32 WeakPolarHBondContact O-CA 3.37Å; R23-V32 HydrophobicContact CB-CG2 4.33Å; R23-V32 HydrophobicContact CG-CG2 3.85Å
33	Y	81.4	Confident	79.6	Confident	57 Å²	57	74.3 Å²	74.3	22%	0.224	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	139.4	-176.2	-68.3	-90.3	0	0	0	112.3	F22 R31 G38 I39 H42	F22-Y33 WeakPolarHBondContact CD2-O 3.35Å; F22-Y33 PolarHBondContact N-O 3.48Å; F22-Y33 PolarHBondContact O-N 3Å; R31-Y33 HydrophobicContact CB-CE2 3.92Å; Y33-G38 VanDerWaalsContact CD1-C 3.49Å; Y33-I39 HydrophobicContact CD2-CB 3.94Å; Y33-I39 HydrophobicContact CD2-CG1 4.21Å; Y33-I39 HydrophobicContact CG-CB 4.1Å; Y33-H42 HydrophobicContact CD2-CB 4.48Å; Y33-H42 HydrophobicContact CE1-CB 4.31Å; Y33-H42 HydrophobicContact CE2-CB 3.57Å; Y33-H42 AromaticContact CE2-CD2 3.66Å; Y33-H42 AromaticContact CE2-CG 3.58Å; Y33-H42 VanDerWaalsContact CZ-CB 3.48Å; Y33-H42 AromaticContact CZ-CG 3.7Å; Y33-H42 WeakPolarHBondContact OH-CB 3.2Å; Y33-H42 VanDerWaalsContact OH-CG 3.27Å; Y33-H42 PolarHBondContact OH-ND1 3.37Å
34	K	80.7	Confident	79.3	Confident	190 Å²	190	71.8 Å²	71.8	83%	0.826	40%	0.401	S	S	*	.	S	Bend	trans	-81.6	-18.2	176	-63.9	-176.2	-179.7	-177.5	0	113.7	P20	P20-K34 WeakPolarHBondContact CB-O 3.42Å
35	S	81.5	Confident	78.9	Confident	63 Å²	63	76 Å²	76	44%	0.441	43%	0.427	S	S	.	.	S	Bend	trans	-125	145.7	-178.2	72.9	0	0	0	0	111.4	S37 G38 I39	S35-S37 VanDerWaalsContact C-N 3.27Å; S35-S37 PolarHBondContact O-N 2.85Å; S35-G38 PolarHBondContact O-N 3.02Å; S35-G38 PolarHBondContact OG-N 2.85Å; S35-I39 PolarHBondContact O-N 3.35Å
36	F	82.9	Confident	78.8	Confident	51 Å²	51	73.8 Å²	73.8	22%	0.224	41%	0.412	C	S	.	.	H	α-helix	trans	-62.6	-36.2	177.4	-177.3	-97.2	0	0	0	111.9	I12 L15 R16 F22 G38 I39 K40	I12-F36 HydrophobicContact CG2-CZ 3.86Å; L15-F36 HydrophobicContact CB-CD2 4.34Å; L15-F36 HydrophobicContact CB-CE2 3.78Å; R16-F36 HydrophobicContact CB-CE2 4.27Å; R16-F36 HydrophobicContact CB-CZ 4.48Å; R16-F36 HydrophobicContact CG-CD2 4.25Å; R16-F36 HydrophobicContact CG-CE1 3.95Å; R16-F36 HydrophobicContact CG-CE2 3.46Å; R16-F36 VanDerWaalsContact CG-CE2 3.46Å; R16-F36 HydrophobicContact CG-CZ 3.27Å; F22-F36 HydrophobicContact CE2-CB 4.12Å; F22-F36 HydrophobicContact CZ-CB 4.23Å; F36-G38 VanDerWaalsContact C-N 3.31Å; F36-G38 PolarHBondContact O-N 3.32Å; F36-I39 HydrophobicContact CD2-CG2 4.4Å; F36-I39 VanDerWaalsContact O-CG2 3.29Å; F36-I39 WeakPolarHBondContact O-CG2 3.29Å; F36-I39 PolarHBondContact O-N 3.23Å; F36-K40 HydrophobicContact CE1-CD 4.34Å; F36-K40 VanDerWaalsContact O-CB 3.32Å; F36-K40 WeakPolarHBondContact O-CB 3.32Å; F36-K40 PolarHBondContact O-N 3.45Å
37	S	80.7	Confident	78.6	Confident	92 Å²	92	74.7 Å²	74.7	64%	0.643	42%	0.422	S	S	*	.	H	α-helix	trans	-60.8	-40.8	175.7	-164.3	0	0	0	0	111.7	S35 K40 S41	S35-S37 VanDerWaalsContact C-N 3.27Å; S35-S37 PolarHBondContact O-N 2.85Å; S37-K40 PolarHBondContact O-N 3.29Å; S37-S41 PolarHBondContact O-N 2.7Å
38	G	81.3	Confident	78	Confident	19 Å²	19	71.4 Å²	71.4	20%	0.196	42%	0.418	C	S	.	.	H	α-helix	trans	-62.4	-49.2	178	0	0	0	0	0	112.7	Y33 S35 F36 K40 S41 H42	Y33-G38 VanDerWaalsContact CD1-C 3.49Å; S35-G38 PolarHBondContact O-N 3.02Å; S35-G38 PolarHBondContact OG-N 2.85Å; F36-G38 VanDerWaalsContact C-N 3.31Å; F36-G38 PolarHBondContact O-N 3.32Å; G38-K40 PolarHBondContact O-N 3.43Å; G38-S41 PolarHBondContact O-N 3.38Å; G38-H42 PolarHBondContact O-N 3.47Å
39	I	81.9	Confident	77.2	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	42%	0.422	C	S	.	.	H	α-helix	trans	-67.7	-35.7	177.4	-168.9	161.4	0	0	0	112.2	L15 F22 R23 Y33 S35 F36 S41 H42 L43	L15-I39 HydrophobicContact CD1-CD1 3.76Å; L15-I39 HydrophobicContact CD1-CG1 4.13Å; L15-I39 HydrophobicContact CD1-CG2 4.38Å; L15-I39 HydrophobicContact CD2-CD1 3.97Å; F22-I39 HydrophobicContact CB-CB 4.07Å; F22-I39 HydrophobicContact CB-CD1 3.6Å; F22-I39 HydrophobicContact CB-CG1 4.44Å; F22-I39 HydrophobicContact CB-CG2 3.87Å; F22-I39 HydrophobicContact CD2-CG2 4.35Å; F22-I39 HydrophobicContact CG-CG2 4.09Å; R23-I39 WeakPolarHBondContact O-CD1 3.28Å; Y33-I39 HydrophobicContact CD2-CB 3.94Å; Y33-I39 HydrophobicContact CD2-CG1 4.21Å; Y33-I39 HydrophobicContact CG-CB 4.1Å; S35-I39 PolarHBondContact O-N 3.35Å; F36-I39 HydrophobicContact CD2-CG2 4.4Å; F36-I39 VanDerWaalsContact O-CG2 3.29Å; F36-I39 WeakPolarHBondContact O-CG2 3.29Å; F36-I39 PolarHBondContact O-N 3.23Å; I39-S41 PolarHBondContact O-N 3.3Å; I39-H42 PolarHBondContact O-N 2.75Å; I39-L43 HydrophobicContact CG1-CD1 4.25Å; I39-L43 HydrophobicContact CG1-CG 4.21Å; I39-L43 WeakPolarHBondContact O-CG 3.37Å; I39-L43 PolarHBondContact O-N 3.01Å
40	K	80	Confident	76.3	Confident	107 Å²	107	73.3 Å²	73.3	47%	0.465	43%	0.426	S	S	.	.	H	α-helix	trans	-61.4	-43.9	176.6	-174.2	-174.8	177.2	-169.8	0	111.9	F36 S37 G38 A44	F36-K40 HydrophobicContact CE1-CD 4.34Å; F36-K40 VanDerWaalsContact O-CB 3.32Å; F36-K40 WeakPolarHBondContact O-CB 3.32Å; F36-K40 PolarHBondContact O-N 3.45Å; S37-K40 PolarHBondContact O-N 3.29Å; G38-K40 PolarHBondContact O-N 3.43Å; K40-A44 PolarHBondContact O-N 2.91Å
41	S	76.7	Confident	74.7	Confident	79 Å²	79	73.6 Å²	73.6	55%	0.552	44%	0.435	S	S	*	.	H	α-helix	trans	-65.1	-40.4	175.8	178.1	0	0	0	0	111.7	S37 G38 I39 A44 T45	S37-S41 PolarHBondContact O-N 2.7Å; G38-S41 PolarHBondContact O-N 3.38Å; I39-S41 PolarHBondContact O-N 3.3Å; S41-A44 PolarHBondContact O-N 2.65Å; S41-T45 PolarHBondContact O-OG1 3.41Å; S41-T45 VanDerWaalsContact O-OG1 3.09Å
42	H	81.9	Confident	72.7	Confident	6 Å²	6	70.3 Å²	70.3	3%	0.028	44%	0.436	C	S	.	.	H	α-helix	trans	-63.1	-46	175.3	177.5	54.8	0	0	0	112.7	C24 C29 Y33 G38 I39 A44 T45 C46	C24-H42 PolarHBondContact SG-NE2 3.13Å; C24-H42 VanDerWaalsContact SG-NE2 3.35Å; C29-H42 PolarHBondContact SG-NE2 3.46Å; Y33-H42 HydrophobicContact CD2-CB 4.48Å; Y33-H42 HydrophobicContact CE1-CB 4.31Å; Y33-H42 HydrophobicContact CE2-CB 3.57Å; Y33-H42 AromaticContact CE2-CD2 3.66Å; Y33-H42 AromaticContact CE2-CG 3.58Å; Y33-H42 VanDerWaalsContact CZ-CB 3.48Å; Y33-H42 AromaticContact CZ-CG 3.7Å; Y33-H42 WeakPolarHBondContact OH-CB 3.2Å; Y33-H42 VanDerWaalsContact OH-CG 3.27Å; Y33-H42 PolarHBondContact OH-ND1 3.37Å; G38-H42 PolarHBondContact O-N 3.47Å; I39-H42 PolarHBondContact O-N 2.75Å; H42-A44 PolarHBondContact O-N 3.33Å; H42-T45 CarbonylContact O-C 3.53Å; H42-T45 PolarHBondContact O-N 2.7Å; H42-T45 PolarHBondContact O-OG1 3Å; H42-C46 VanDerWaalsContact O-CB 3.28Å; H42-C46 WeakPolarHBondContact O-CB 3.33Å; H42-C46 PolarHBondContact O-N 3.35Å
43	L	79.6	Confident	70.4	Confident	29 Å²	29	72.2 Å²	72.2	15%	0.152	45%	0.448	C	S	.	.	H	α-helix	trans	-60	-31.5	178.9	-75.3	172.9	0	0	0	113	L11 I12 L15 P25 I39 T45	L11-L43 HydrophobicContact CD2-CD1 3.93Å; L11-L43 HydrophobicContact CD2-CD2 3.77Å; I12-L43 HydrophobicContact CG1-CD1 4.42Å; L15-L43 HydrophobicContact CD1-CD1 3.62Å; P25-L43 HydrophobicContact CG-CD2 4.4Å; I39-L43 HydrophobicContact CG1-CD1 4.25Å; I39-L43 HydrophobicContact CG1-CG 4.21Å; I39-L43 WeakPolarHBondContact O-CG 3.37Å; I39-L43 PolarHBondContact O-N 3.01Å; L43-T45 VanDerWaalsContact C-N 3.27Å; L43-T45 PolarHBondContact O-N 3.3Å
44	A	74.4	Confident	67.9	Low	88 Å²	88	75.2 Å²	75.2	73%	0.727	48%	0.475	S	S	*	.	H	α-helix	trans	-71.3	-20.9	177.1	0	0	0	0	0	113.6	K40 S41 H42	K40-A44 PolarHBondContact O-N 2.91Å; S41-A44 PolarHBondContact O-N 2.65Å; H42-A44 PolarHBondContact O-N 3.33Å
45	T	73.9	Confident	65.5	Low	98 Å²	98	71.7 Å²	71.7	60%	0.601	47%	0.469	S	S	*	.	H	α-helix	trans	-123	-6.7	-173.4	53.4	0	0	0	0	113.9	S41 H42 L43 Q47	S41-T45 PolarHBondContact O-OG1 3.41Å; S41-T45 VanDerWaalsContact O-OG1 3.09Å; H42-T45 CarbonylContact O-C 3.53Å; H42-T45 PolarHBondContact O-N 2.7Å; H42-T45 PolarHBondContact O-OG1 3Å; L43-T45 VanDerWaalsContact C-N 3.27Å; L43-T45 PolarHBondContact O-N 3.3Å; T45-Q47 PolarHBondContact O-N 3.44Å
46	C	74.2	Confident	62.9	Low	14 Å²	14	73.5 Å²	73.5	10%	0.095	48%	0.481	C	S	.	.			trans	-58.8	130.3	179.6	-172.8	0	0	0	0	109.4	R26 H42	R26-C46 VanDerWaalsContact NH1-C 3.34Å; R26-C46 PolarHBondContact NH1-O 3.2Å; H42-C46 VanDerWaalsContact O-CB 3.28Å; H42-C46 WeakPolarHBondContact O-CB 3.33Å; H42-C46 PolarHBondContact O-N 3.35Å
47	Q	73.8	Confident	60.2	Low	144 Å²	144	79.2 Å²	79.2	67%	0.673	51%	0.513	S	S	*	.			trans	-117.7	160.8	178.2	-66.9	179.7	4.5	0	0	110.1	T45 A49 C50	T45-Q47 PolarHBondContact O-N 3.44Å; Q47-A49 PolarHBondContact O-N 3.19Å; Q47-A49 VanDerWaalsContact O-N 3.14Å; Q47-C50 WeakPolarHBondContact O-CB 3.38Å; Q47-C50 PolarHBondContact O-N 2.96Å
48	A	58	Low	57.6	Low	97 Å²	97	79.9 Å²	79.9	80%	0.802	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-24.9	-176.3	0	0	0	0	0	113.8	C50	A48-C50 PolarHBondContact O-N 3.46Å
49	A	54.6	Low	55	Low	88 Å²	88	81.8 Å²	81.8	73%	0.727	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	28.7	178.9	0	0	0	0	0	113.7	Q47 S51	Q47-A49 PolarHBondContact O-N 3.19Å; Q47-A49 VanDerWaalsContact O-N 3.14Å; A49-S51 PolarHBondContact O-N 3.43Å
50	C	60	Low	52.6	Low	20 Å²	20	88.3 Å²	88.3	14%	0.135	58%	0.578	C	S	.	*			trans	-74.6	67.5	178.2	-157.3	0	0	0	0	110.8	G28 C29 Q47 A48	G28-C50 VanDerWaalsContact O-O 3.14Å; C29-C50 HydrophobicContact CB-CB 4.35Å; C29-C50 VanDerWaalsContact SG-SG 3.64Å; Q47-C50 WeakPolarHBondContact O-CB 3.38Å; Q47-C50 PolarHBondContact O-N 2.96Å; A48-C50 PolarHBondContact O-N 3.46Å
51	S	47	Very low	50.1	Low	98 Å²	98	89 Å²	89	69%	0.685	60%	0.596	S	S	*	*			trans	-68.1	142.2	-179.3	68.8	0	0	0	0	111.8	A49 T53	A49-S51 PolarHBondContact O-N 3.43Å; S51-T53 PolarHBondContact O-N 2.79Å
52	A	37.7	Very low	48.2	Very low	60 Å²	60	90.2 Å²	90.2	50%	0.496	61%	0.605	S	S	.	*			trans	-76.5	111.5	-177.7	0	0	0	0	0	110.8
53	T	36.8	Very low	45.9	Very low	116 Å²	116	101.1 Å²	101.1	71%	0.712	65%	0.645	S	S	*	*			trans	-105.2	116.3	146.9	37.2	0	0	0	0	107.6	S51 V55	S51-T53 PolarHBondContact O-N 2.79Å; T53-V55 VanDerWaalsContact C-N 3.33Å; T53-V55 PolarHBondContact O-N 3.39Å
54	P	29.3	Very low	43.6	Very low	121 Å²	121	109.1 Å²	109.1	79%	0.786	68%	0.679	S	S	*	*			trans	-67.1	98.7	171.2	26.8	-29.1	0	0	0	106.7	S56	P54-S56 PolarHBondContact O-N 3.25Å
55	V	30.1	Very low	41.7	Very low	116 Å²	116	110 Å²	110	70%	0.703	68%	0.68	S	S	*	*			trans	-68.4	94.2	169.2	180	0	0	0	0	106.2	T53 L57	T53-V55 VanDerWaalsContact C-N 3.33Å; T53-V55 PolarHBondContact O-N 3.39Å; V55-L57 PolarHBondContact O-N 3.49Å
56	S	26.1	Very low	40.1	Very low	101 Å²	101	114.1 Å²	114.1	71%	0.706	69%	0.692	S	S	*	*			trans	-46.9	127.7	157.6	32.7	0	0	0	0	108	P54 P58	P54-S56 PolarHBondContact O-N 3.25Å; S56-P58 WeakPolarHBondContact O-CD 3.48Å
57	L	25.6	Very low	38.6	Very low	170 Å²	170	123.8 Å²	123.8	89%	0.89	73%	0.727	S	S	*	*			trans	-47.5	114.8	179.9	-75.4	154.6	0	0	0	109.7	V55 G59	V55-L57 PolarHBondContact O-N 3.49Å; L57-G59 PolarHBondContact O-N 3.47Å
58	P	26.9	Very low	37.4	Very low	106 Å²	106	122.7 Å²	122.7	69%	0.688	73%	0.732	S	S	*	*			trans	-66.4	122.3	168.3	-12.8	27.8	0	0	0	106.9	S56	S56-P58 WeakPolarHBondContact O-CD 3.48Å
59	G	26.6	Very low	37.6	Very low	60 Å²	60	121.6 Å²	121.6	62%	0.619	71%	0.711	S	S	*	*			trans	-50.4	149.3	170.1	0	0	0	0	0	110.5	L57 S61	L57-G59 PolarHBondContact O-N 3.47Å; G59-S61 PolarHBondContact O-N 3.05Å
60	P	30.9	Very low	38.1	Very low	137 Å²	137	120 Å²	120	89%	0.89	70%	0.695	S	S	*	*			trans	-62.8	103.4	-167.6	24.7	-32.2	0	0	0	110.5	S62	P60-S62 PolarHBondContact O-N 3.29Å
61	S	28.3	Very low	38	Very low	120 Å²	120	128.1 Å²	128.1	84%	0.839	72%	0.723	S	S	*	*			trans	-72.6	120.1	165.8	-164.3	0	0	0	0	107.9	G59 R63	G59-S61 PolarHBondContact O-N 3.05Å; S61-R63 PolarHBondContact O-N 3.09Å
62	S	37.7	Very low	38.9	Very low	106 Å²	106	129 Å²	129	74%	0.741	72%	0.719	S	S	*	*	S	Bend	trans	-62.6	85.5	-174	171.4	0	0	0	0	112.1	P60	P60-S62 PolarHBondContact O-N 3.29Å
63	R	32	Very low	40.6	Very low	234 Å²	234	130.5 Å²	130.5	88%	0.883	72%	0.716	S	S	*	*			trans	-133.1	99.5	148.2	-71.6	-170.3	-168.9	-173.2	3.6	107.5	S61 S65	S61-R63 PolarHBondContact O-N 3.09Å; R63-S65 PolarHBondContact O-N 3.42Å
64	K	32.8	Very low	42.3	Very low	197 Å²	197	127.3 Å²	127.3	86%	0.857	70%	0.702	S	S	*	*			trans	-60.1	87.5	175.1	-69.6	176.4	-179.7	172.6	0	108.7	Q66	K64-Q66 PolarHBondContact O-N 3.02Å; K64-Q66 VanDerWaalsContact O-N 3.07Å
65	S	34.4	Very low	44.3	Very low	107 Å²	107	126.7 Å²	126.7	75%	0.748	69%	0.688	S	S	*	*			trans	-56.7	111	155.4	173.2	0	0	0	0	105.7	R63 R67	R63-S65 PolarHBondContact O-N 3.42Å; S65-R67 VanDerWaalsContact C-N 3.28Å; S65-R67 PolarHBondContact O-N 2.79Å
66	Q	39.3	Very low	46.4	Very low	184 Å²	184	125.1 Å²	125.1	86%	0.86	67%	0.673	S	S	*	*			trans	-59	93.5	177.7	-93.7	176	-37.5	0	0	108.2	K64	K64-Q66 PolarHBondContact O-N 3.02Å; K64-Q66 VanDerWaalsContact O-N 3.07Å
67	R	43.5	Very low	48.8	Very low	217 Å²	217	121.5 Å²	121.5	82%	0.819	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-63.2	136.6	160.6	-71.8	-175.2	176.9	-169.9	-0.1	107	S65 M69	S65-R67 VanDerWaalsContact C-N 3.28Å; S65-R67 PolarHBondContact O-N 2.79Å; R67-M69 PolarHBondContact O-N 3.43Å
68	P	47	Very low	51.2	Low	121 Å²	121	116.6 Å²	116.6	79%	0.786	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-52.2	133.2	171.5	-21.7	30.4	0	0	0	109.5
69	M	62.6	Low	53.7	Low	75 Å²	75	117.3 Å²	117.3	37%	0.369	61%	0.614	S	S	.	*	P	Polyproline II helix	trans	-58.3	139.5	-178.4	-70.9	-167.8	-73.2	0	0	110.4	R67 Q73 N77	R67-M69 PolarHBondContact O-N 3.43Å; M69-Q73 HydrophobicContact CB-CB 3.88Å; M69-Q73 HydrophobicContact CG-CB 4.25Å; M69-Q73 HydrophobicContact SD-CB 4.43Å; M69-N77 HydrophobicContact SD-CB 4.15Å; M69-N77 PolarHBondContact SD-ND2 2.91Å
70	S	64.6	Low	56	Low	55 Å²	55	117.7 Å²	117.7	39%	0.385	60%	0.601	S	S	.	*	P	Polyproline II helix	trans	-64.9	159.7	166.8	77.6	0	0	0	0	110.1	L72 Q73 A74	S70-L72 PolarHBondContact O-N 3.2Å; S70-Q73 CarbonylContact O-C 3.11Å; S70-Q73 WeakPolarHBondContact O-CA 3.47Å; S70-Q73 WeakPolarHBondContact O-CB 3.39Å; S70-Q73 PolarHBondContact O-N 3.28Å; S70-Q73 WeakPolarHBondContact OG-CG 3.39Å; S70-Q73 PolarHBondContact OG-N 3.4Å; S70-A74 PolarHBondContact O-N 3.24Å
71	W	59.3	Low	57.8	Low	189 Å²	189	115.3 Å²	115.3	72%	0.716	59%	0.588	S	S	*	*	H	α-helix	trans	-55.1	-38.5	177.6	-176	85.8	0	0	0	112.7	A74 Q75	W71-A74 PolarHBondContact O-N 3.12Å; W71-Q75 VanDerWaalsContact CH2-OE1 3.24Å; W71-Q75 VanDerWaalsContact CZ2-NE2 3.28Å; W71-Q75 VanDerWaalsContact CZ3-CD 3.47Å; W71-Q75 PolarHBondContact O-N 2.98Å; W71-Q75 VanDerWaalsContact O-N 3.12Å
72	L	66.2	Low	59.7	Low	116 Å²	116	115 Å²	115	61%	0.607	58%	0.576	S	S	*	*	H	α-helix	trans	-64	-44.3	172.9	-81.5	139.1	0	0	0	112	S70 A74 Q75 E76	S70-L72 PolarHBondContact O-N 3.2Å; L72-A74 VanDerWaalsContact C-N 3.31Å; L72-A74 PolarHBondContact O-N 3.5Å; L72-Q75 PolarHBondContact O-N 3.13Å; L72-Q75 VanDerWaalsContact O-N 3.16Å; L72-E76 WeakPolarHBondContact O-CG 3.43Å; L72-E76 PolarHBondContact O-N 3.27Å
73	Q	72.9	Confident	60.9	Low	92 Å²	92	114.3 Å²	114.3	43%	0.43	59%	0.586	S	S	.	*	H	α-helix	trans	-64.6	-35	176.8	-74.1	172	-23.8	0	0	112.3	M69 S70 Q75 E76 N77	M69-Q73 HydrophobicContact CB-CB 3.88Å; M69-Q73 HydrophobicContact CG-CB 4.25Å; M69-Q73 HydrophobicContact SD-CB 4.43Å; S70-Q73 CarbonylContact O-C 3.11Å; S70-Q73 WeakPolarHBondContact O-CA 3.47Å; S70-Q73 WeakPolarHBondContact O-CB 3.39Å; S70-Q73 PolarHBondContact O-N 3.28Å; S70-Q73 WeakPolarHBondContact OG-CG 3.39Å; S70-Q73 PolarHBondContact OG-N 3.4Å; Q73-Q75 VanDerWaalsContact C-N 3.31Å; Q73-E76 PolarHBondContact O-N 3.46Å; Q73-N77 VanDerWaalsContact O-CG 3.28Å; Q73-N77 PolarHBondContact O-N 3.26Å; Q73-N77 PolarHBondContact O-ND2 3.03Å
74	A	71.8	Confident	62.6	Low	50 Å²	50	106.7 Å²	106.7	41%	0.413	58%	0.58	S	S	.	*	H	α-helix	trans	-68.4	-30.6	175	0	0	0	0	0	112.2	S70 W71 L72 E76	S70-A74 PolarHBondContact O-N 3.24Å; W71-A74 PolarHBondContact O-N 3.12Å; L72-A74 VanDerWaalsContact C-N 3.31Å; L72-A74 PolarHBondContact O-N 3.5Å; A74-E76 VanDerWaalsContact C-N 3.29Å
75	Q	71.5	Confident	63.8	Low	107 Å²	107	101 Å²	101	50%	0.5	57%	0.566	S	S	.	*	H	α-helix	trans	-74.1	-18.2	172.6	-76.5	-176.5	-43.5	0	0	113.8	W71 L72 Q73 I91	W71-Q75 VanDerWaalsContact CH2-OE1 3.24Å; W71-Q75 VanDerWaalsContact CZ2-NE2 3.28Å; W71-Q75 VanDerWaalsContact CZ3-CD 3.47Å; W71-Q75 PolarHBondContact O-N 2.98Å; W71-Q75 VanDerWaalsContact O-N 3.12Å; L72-Q75 PolarHBondContact O-N 3.13Å; L72-Q75 VanDerWaalsContact O-N 3.16Å; Q73-Q75 VanDerWaalsContact C-N 3.31Å; Q75-I91 WeakPolarHBondContact O-CD1 3.18Å
76	E	75.1	Confident	65.6	Low	84 Å²	84	100.4 Å²	100.4	39%	0.393	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.6	-9.1	178	-69.6	175.4	170.5	0	0	113.2	L72 Q73 A74 I91	L72-E76 WeakPolarHBondContact O-CG 3.43Å; L72-E76 PolarHBondContact O-N 3.27Å; Q73-E76 PolarHBondContact O-N 3.46Å; A74-E76 VanDerWaalsContact C-N 3.29Å; E76-I91 WeakPolarHBondContact O-CB 3.35Å; E76-I91 VanDerWaalsContact O-CG1 3.25Å; E76-I91 WeakPolarHBondContact O-CG1 3.21Å; E76-I91 PolarHBondContact O-N 3.04Å
77	N	75.7	Confident	67.5	Low	25 Å²	25	94.5 Å²	94.5	13%	0.134	53%	0.533	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	139.8	-170	-61.7	-34.9	0	0	0	111.6	M69 Q73 T88 L89 R90	M69-N77 HydrophobicContact SD-CB 4.15Å; M69-N77 PolarHBondContact SD-ND2 2.91Å; Q73-N77 VanDerWaalsContact O-CG 3.28Å; Q73-N77 PolarHBondContact O-N 3.26Å; Q73-N77 PolarHBondContact O-ND2 3.03Å; N77-T88 HydrophobicContact CB-CG2 3.75Å; N77-L89 CarbonylContact C-O 3.59Å; N77-L89 VanDerWaalsContact CA-O 3.28Å; N77-L89 WeakPolarHBondContact CA-O 3.33Å; N77-R90 WeakPolarHBondContact OD1-CG 3.13Å
78	I	76.7	Confident	69.2	Low	67 Å²	67	87.2 Å²	87.2	34%	0.344	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	123.5	174.7	-59	174	0	0	0	108.4	I80 T88 L89 I91	I78-I80 HydrophobicContact CG2-CD1 4.32Å; I78-I80 HydrophobicContact CG2-CG1 3.88Å; I78-T88 CarbonylContact O-C 3.59Å; I78-T88 WeakPolarHBondContact O-CA 3.45Å; I78-L89 PolarHBondContact N-O 3.39Å; I78-L89 PolarHBondContact O-N 3.22Å; I78-I91 HydrophobicContact CD1-CD1 4.23Å; I78-I91 HydrophobicContact CD1-CG1 3.94Å; I78-I91 HydrophobicContact CG1-CD1 3.99Å; I78-I91 HydrophobicContact CG1-CG1 3.85Å
79	E	79	Confident	70.6	Confident	121 Å²	121	84.1 Å²	84.1	57%	0.565	49%	0.489	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.6	121.1	173.9	-68.4	-178.2	177	0	0	110.3	V86 T88	E79-V86 HydrophobicContact CB-CG1 3.93Å; E79-V86 HydrophobicContact CG-CG1 4.24Å; E79-T88 HydrophobicContact CG-CG2 4.14Å
80	I	75.9	Confident	71.3	Confident	68 Å²	68	86.9 Å²	86.9	35%	0.349	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	127.2	179	-51.7	-177.2	0	0	0	108.6	I78 L82 V87 L89	I78-I80 HydrophobicContact CG2-CD1 4.32Å; I78-I80 HydrophobicContact CG2-CG1 3.88Å; I80-L82 HydrophobicContact CG2-CD2 4.17Å; I80-L82 HydrophobicContact CG2-CG 4.08Å; I80-L82 PolarHBondContact O-N 2.86Å; I80-V87 PolarHBondContact N-O 3.18Å; I80-V87 PolarHBondContact O-N 3.37Å; I80-L89 HydrophobicContact CD1-CD1 3.55Å; I80-L89 HydrophobicContact CD1-CG 4.39Å; I80-L89 HydrophobicContact CG1-CD1 4.43Å
81	S	68.7	Low	71.7	Confident	87 Å²	87	86.3 Å²	86.3	61%	0.608	49%	0.488	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	106	173.4	175.4	0	0	0	0	110	S85	S81-S85 WeakPolarHBondContact CA-O 3.39Å
82	L	67.6	Low	72	Confident	112 Å²	112	83 Å²	83	59%	0.586	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109	117.8	174.6	-66.7	172.7	0	0	0	109.2	I80 G84 S85 V87	I80-L82 HydrophobicContact CG2-CD2 4.17Å; I80-L82 HydrophobicContact CG2-CG 4.08Å; I80-L82 PolarHBondContact O-N 2.86Å; L82-G84 PolarHBondContact O-N 2.89Å; L82-G84 VanDerWaalsContact O-N 3.08Å; L82-S85 PolarHBondContact N-O 2.96Å; L82-S85 PolarHBondContact O-N 3.36Å; L82-V87 HydrophobicContact CD1-CG2 4.42Å
83	G	62.5	Low	72.2	Confident	93 Å²	93	82.1 Å²	82.1	96%	0.959	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	30.1	174.3	0	0	0	0	0	115
84	G	68.1	Low	71.5	Confident	73 Å²	73	85.9 Å²	85.9	75%	0.753	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.3	-4.6	-178.3	0	0	0	0	0	115.4	L82	L82-G84 PolarHBondContact O-N 2.89Å; L82-G84 VanDerWaalsContact O-N 3.08Å
85	S	56.9	Low	71.6	Confident	79 Å²	79	87.9 Å²	87.9	55%	0.552	49%	0.492	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.3	134.8	171	-63.7	0	0	0	0	110.7	S81 L82	S81-S85 WeakPolarHBondContact CA-O 3.39Å; L82-S85 PolarHBondContact N-O 2.96Å; L82-S85 PolarHBondContact O-N 3.36Å
86	V	72.8	Confident	71.1	Confident	94 Å²	94	91.3 Å²	91.3	57%	0.57	51%	0.508	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.6	118.8	174.9	-177.7	0	0	0	0	108.8	E79	E79-V86 HydrophobicContact CB-CG1 3.93Å; E79-V86 HydrophobicContact CG-CG1 4.24Å
87	V	78.8	Confident	70.4	Confident	60 Å²	60	93.9 Å²	93.9	36%	0.364	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	123.8	175	-177.4	0	0	0	0	108.3	I80 L82 L89	I80-V87 PolarHBondContact N-O 3.18Å; I80-V87 PolarHBondContact O-N 3.37Å; L82-V87 HydrophobicContact CD1-CG2 4.42Å; V87-L89 HydrophobicContact CG1-CD2 4.07Å
88	T	79.4	Confident	69.2	Low	64 Å²	64	99.2 Å²	99.2	39%	0.393	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95	111	176.5	-49.1	0	0	0	0	109.5	N77 I78 E79	N77-T88 HydrophobicContact CB-CG2 3.75Å; I78-T88 CarbonylContact O-C 3.59Å; I78-T88 WeakPolarHBondContact O-CA 3.45Å; E79-T88 HydrophobicContact CG-CG2 4.14Å
89	L	76.9	Confident	67.4	Low	55 Å²	55	101.6 Å²	101.6	29%	0.288	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.2	131.9	175.2	-60	-179.4	0	0	0	110.1	N77 I78 I80 V87	N77-L89 CarbonylContact C-O 3.59Å; N77-L89 VanDerWaalsContact CA-O 3.28Å; N77-L89 WeakPolarHBondContact CA-O 3.33Å; I78-L89 PolarHBondContact N-O 3.39Å; I78-L89 PolarHBondContact O-N 3.22Å; I80-L89 HydrophobicContact CD1-CD1 3.55Å; I80-L89 HydrophobicContact CD1-CG 4.39Å; I80-L89 HydrophobicContact CG1-CD1 4.43Å; V87-L89 HydrophobicContact CG1-CD2 4.07Å
90	R	76.8	Confident	65.7	Low	133 Å²	133	103.2 Å²	103.2	50%	0.502	59%	0.589	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.8	132.1	168.3	-58.8	-156.3	166.8	156.8	-13	110	N77 W92 E93 H95	N77-R90 WeakPolarHBondContact OD1-CG 3.13Å; R90-W92 PolarHBondContact O-N 3.19Å; R90-E93 HydrophobicContact CB-CB 4.23Å; R90-E93 HydrophobicContact CB-CG 3.97Å; R90-E93 WeakPolarHBondContact CD-OE1 3.35Å; R90-E93 IonicContact NH1-OE1 2.93Å; R90-E93 PolarHBondContact O-N 3.07Å; R90-H95 PolarHBondContact O-NE2 3.13Å; R90-H95 VanDerWaalsContact O-NE2 3.12Å
91	I	73.9	Confident	63.8	Low	44 Å²	44	105 Å²	105	23%	0.226	61%	0.614	C	S	.	*	T	Hydrogen-bonded Turn	trans	-65.5	-24.8	-175.1	-64.2	175	0	0	0	112.1	Q75 E76 I78 L832	Q75-I91 WeakPolarHBondContact O-CD1 3.18Å; E76-I91 WeakPolarHBondContact O-CB 3.35Å; E76-I91 VanDerWaalsContact O-CG1 3.25Å; E76-I91 WeakPolarHBondContact O-CG1 3.21Å; E76-I91 PolarHBondContact O-N 3.04Å; I78-I91 HydrophobicContact CD1-CD1 4.23Å; I78-I91 HydrophobicContact CD1-CG1 3.94Å; I78-I91 HydrophobicContact CG1-CD1 3.99Å; I78-I91 HydrophobicContact CG1-CG1 3.85Å; I91-L832 HydrophobicContact CG2-CD1 3.42Å; I91-L832 VanDerWaalsContact CG2-CD1 3.42Å; I91-L832 HydrophobicContact CG2-CD2 3.25Å; I91-L832 HydrophobicContact CG2-CG 3.91Å
92	W	65.1	Low	62.3	Low	118 Å²	118	104.2 Å²	104.2	45%	0.447	62%	0.619	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.8	-10.9	178.9	-50.2	111.8	0	0	0	114.7	R90 L829 L832	R90-W92 PolarHBondContact O-N 3.19Å; W92-L829 HydrophobicContact CE3-CD2 4.34Å; W92-L829 HydrophobicContact CH2-CD2 3.11Å; W92-L829 HydrophobicContact CH2-CG 4.36Å; W92-L829 HydrophobicContact CZ2-CD2 3.61Å; W92-L829 HydrophobicContact CZ3-CB 4.41Å; W92-L829 HydrophobicContact CZ3-CD2 3.51Å; W92-L832 HydrophobicContact CH2-CD1 4.27Å; W92-L832 HydrophobicContact CZ3-CD1 4.36Å
93	E	70.4	Confident	60.7	Low	99 Å²	99	106.3 Å²	106.3	46%	0.463	63%	0.629	S	S	.	*	S	Bend	trans	-82.3	131.2	179	-77.1	172.6	-175	0	0	109.5	R90 H95	R90-E93 HydrophobicContact CB-CB 4.23Å; R90-E93 HydrophobicContact CB-CG 3.97Å; R90-E93 WeakPolarHBondContact CD-OE1 3.35Å; R90-E93 IonicContact NH1-OE1 2.93Å; R90-E93 PolarHBondContact O-N 3.07Å; E93-H95 PolarHBondContact O-CD2 2.92Å; E93-H95 PolarHBondContact O-N 3.45Å; E93-H95 PolarHBondContact O-NE2 2.91Å; E93-H95 IonicContact OE2-CE1 3.13Å
94	N	58.6	Low	59.2	Low	171 Å²	171	106.5 Å²	106.5	91%	0.914	62%	0.622	S	S	*	*			trans	-72.6	107.8	173.7	-74.8	-29.8	0	0	0	108.6
95	H	72.5	Confident	57.4	Low	92 Å²	92	112 Å²	112	43%	0.426	63%	0.625	S	S	.	*			trans	-93.2	124.4	175.2	-59.3	-75.8	0	0	0	109.5	R90 E93 V97	R90-H95 PolarHBondContact O-NE2 3.13Å; R90-H95 VanDerWaalsContact O-NE2 3.12Å; E93-H95 PolarHBondContact O-CD2 2.92Å; E93-H95 PolarHBondContact O-N 3.45Å; E93-H95 PolarHBondContact O-NE2 2.91Å; E93-H95 IonicContact OE2-CE1 3.13Å; H95-V97 PolarHBondContact O-N 2.97Å
96	E	60.5	Low	56	Low	179 Å²	179	115 Å²	115	84%	0.836	64%	0.64	S	S	*	*			trans	-67.1	118.1	173.5	-81.6	-174.2	157.8	0	0	110.4	L98	E96-L98 PolarHBondContact O-N 3.45Å
97	V	60.5	Low	54	Low	138 Å²	138	116 Å²	116	84%	0.836	65%	0.651	S	S	*	*			trans	-86.7	93	174.4	-176.3	0	0	0	0	108.3	H95	H95-V97 PolarHBondContact O-N 2.97Å
98	L	51.7	Low	51.5	Low	136 Å²	136	118 Å²	118	71%	0.712	67%	0.674	S	S	*	*			trans	-76.1	130	171.8	-64.1	175.2	0	0	0	109.7	E96 L100	E96-L98 PolarHBondContact O-N 3.45Å; L98-L100 PolarHBondContact O-N 3.43Å
99	P	39.4	Very low	49.1	Very low	117 Å²	117	122 Å²	122	76%	0.76	69%	0.693	S	S	*	*			trans	-58.1	134.7	173.6	-19.3	29.9	0	0	0	110.2	A101	P99-A101 VanDerWaalsContact C-N 3.34Å; P99-A101 PolarHBondContact O-N 2.97Å
100	L	43.3	Very low	46.6	Very low	156 Å²	156	128.1 Å²	128.1	82%	0.817	72%	0.72	S	S	*	*			trans	-63.4	95.6	172.6	-114.7	90.3	0	0	0	109	L98 G102	L98-L100 PolarHBondContact O-N 3.43Å; L100-G102 PolarHBondContact O-N 2.98Å
101	A	35.8	Very low	44.2	Very low	106 Å²	106	126.7 Å²	126.7	88%	0.876	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	114.2	170.4	0	0	0	0	0	108.6	P99	P99-A101 VanDerWaalsContact C-N 3.34Å; P99-A101 PolarHBondContact O-N 2.97Å
102	G	37.2	Very low	41.8	Very low	70 Å²	70	129.7 Å²	129.7	72%	0.722	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	124.8	11.4	156.4	0	0	0	0	0	120.2	L100	L100-G102 PolarHBondContact O-N 2.98Å
103	I	34.2	Very low	40.2	Very low	156 Å²	156	130.2 Å²	130.2	80%	0.8	78%	0.78	S	S	*	*	S	Bend	trans	-120.2	27.4	171	-41.4	-179.7	0	0	0	112.5
104	A	31.1	Very low	38.1	Very low	97 Å²	97	130.8 Å²	130.8	80%	0.802	80%	0.795	S	S	*	*	S	Bend	trans	-131.3	56.6	169.2	0	0	0	0	0	110
105	K	29.5	Very low	36.4	Very low	187 Å²	187	132.1 Å²	132.1	81%	0.813	79%	0.793	S	S	*	*			trans	-143.5	129.5	162.9	-68.9	-170.1	177.8	-179.1	0	107.6
106	T	28.2	Very low	34.2	Very low	144 Å²	144	137 Å²	137	88%	0.883	82%	0.816	S	S	*	*	S	Bend	trans	75.6	118.2	-166.9	77.8	0	0	0	0	111.4
107	S	29.2	Very low	32.5	Very low	114 Å²	114	133.1 Å²	133.1	80%	0.797	81%	0.808	S	S	*	*			cis	-162.3	113.6	15.3	48.7	0	0	0	0	106.7
108	A	27.7	Very low	30.8	Very low	101 Å²	101	137.4 Å²	137.4	84%	0.835	81%	0.809	S	S	*	*	S	Bend	trans	-140.3	-3.5	171.1	0	0	0	0	0	113.5
109	D	27.8	Very low	29.6	Very low	150 Å²	150	142.2 Å²	142.2	80%	0.802	82%	0.818	S	S	*	*	S	Bend	trans	-112.5	133.3	169.3	-57.9	-42.4	0	0	0	106.9
110	E	25.5	Very low	29	Very low	183 Å²	183	144.4 Å²	144.4	86%	0.855	82%	0.818	S	S	*	*			trans	90.3	69.5	-174.6	-52	-59.4	147.8	0	0	117
111	A	26.1	Very low	28.1	Very low	102 Å²	102	142.8 Å²	142.8	84%	0.843	82%	0.82	S	S	*	*			trans	-155.2	96.8	138.9	0	0	0	0	0	111
112	S	23.6	Very low	27.7	Very low	108 Å²	108	142.4 Å²	142.4	76%	0.755	81%	0.811	S	S	*	*			trans	-59.2	158.9	169.1	-65.9	0	0	0	0	113.1
113	P	31.5	Very low	27.4	Very low	128 Å²	128	147.6 Å²	147.6	83%	0.831	82%	0.821	S	S	*	*			trans	-94.1	134.5	-153.2	34.8	-31.1	0	0	0	112.8
114	S	25.8	Very low	27.2	Very low	111 Å²	111	151.7 Å²	151.7	78%	0.776	83%	0.826	S	S	*	*			trans	-147.2	118.3	159	60.9	0	0	0	0	112.3
115	K	24.5	Very low	26.9	Very low	200 Å²	200	156.3 Å²	156.3	87%	0.87	83%	0.828	S	S	*	*			trans	43.7	98.4	142.7	-62.8	176.9	178.8	174.5	0	117.5
116	E	25.7	Very low	26.8	Very low	195 Å²	195	155.6 Å²	155.6	91%	0.911	83%	0.832	S	S	*	*			trans	-128.1	98	135.5	-158.2	70.3	-138.2	0	0	108.2
117	S	24.2	Very low	26.9	Very low	97 Å²	97	153.9 Å²	153.9	68%	0.678	82%	0.821	S	S	*	*			trans	-82.4	146.6	166.8	171.1	0	0	0	0	108
118	R	25.7	Very low	26.6	Very low	228 Å²	228	156.2 Å²	156.2	86%	0.86	83%	0.825	S	S	*	*			trans	91.6	88.5	150.5	-156	-179.4	-169.4	-178.8	3.2	117.6
119	R	25	Very low	26.6	Very low	237 Å²	237	161.3 Å²	161.3	89%	0.894	83%	0.828	S	S	*	*			trans	-179	94	138.3	-94.8	155.5	-171.5	-150.6	4.6	104.7
120	E	27.4	Very low	26.4	Very low	162 Å²	162	158.8 Å²	158.8	76%	0.757	83%	0.828	S	S	*	*				-172.3	90.1	100.9	-163.7	68.1	-153.8	0	0	107.8
121	S	24.7	Very low	26.4	Very low	123 Å²	123	156.2 Å²	156.2	86%	0.86	83%	0.829	S	S	*	*			trans	-124.6	78.8	169.2	-74.5	0	0	0	0	107.7
122	S	27.1	Very low	26.5	Very low	97 Å²	97	156.6 Å²	156.6	68%	0.678	82%	0.822	S	S	*	*			trans	-158	65	169.2	-79	0	0	0	0	111.6
123	L	31.7	Very low	26.7	Very low	179 Å²	179	157.4 Å²	157.4	94%	0.937	83%	0.825	S	S	*	*			trans	-144.3	109.1	144.7	-98.1	118.3	0	0	0	108.9
124	R	29	Very low	26.6	Very low	243 Å²	243	163.3 Å²	163.3	92%	0.917	83%	0.831	S	S	*	*			trans	-76.2	140.7	-173.1	-70.1	177.5	175.8	-172.8	-1.9	110.9	I126	R124-I126 PolarHBondContact O-N 2.95Å
125	K	24.7	Very low	26.6	Very low	194 Å²	194	170.2 Å²	170.2	84%	0.843	84%	0.84	S	S	*	*			trans	-30.7	117.8	160.1	-62.9	170.8	177.5	-179.7	0	112.7	T127	K125-T127 HydrophobicContact CB-CG2 4.48Å
126	I	28.8	Very low	26.9	Very low	172 Å²	172	165.2 Å²	165.2	88%	0.882	84%	0.836	S	S	*	*			trans	-87.9	108.3	154.4	-66.7	174.7	0	0	0	104.9	R124	R124-I126 PolarHBondContact O-N 2.95Å
127	T	28.6	Very low	27.1	Very low	108 Å²	108	160.7 Å²	160.7	66%	0.663	83%	0.832	S	S	*	*			trans	-78.7	137.2	-178.2	47.9	0	0	0	0	111.3	K125 K129	K125-T127 HydrophobicContact CB-CG2 4.48Å; T127-K129 PolarHBondContact O-N 3.44Å
128	D	24.8	Very low	27.5	Very low	163 Å²	163	164.5 Å²	164.5	87%	0.872	84%	0.836	S	S	*	*			trans	-46.9	124.4	170.2	-63.2	-56.4	0	0	0	112.6
129	K	27.3	Very low	27.6	Very low	208 Å²	208	164.1 Å²	164.1	90%	0.904	84%	0.835	S	S	*	*			trans	-109.8	108.8	159.3	-80.9	-171	177	-178.8	0	108.6	T127	T127-K129 PolarHBondContact O-N 3.44Å
130	A	22.6	Very low	27.9	Very low	97 Å²	97	163 Å²	163	80%	0.802	83%	0.831	S	S	*	*			trans	-70.8	138.8	172.4	0	0	0	0	0	112.5
131	C	24.8	Very low	28	Very low	129 Å²	129	162.7 Å²	162.7	87%	0.872	83%	0.829	S	S	*	*			trans	-169.4	155.7	142.9	-108.3	0	0	0	0	111.1
132	P	30.1	Very low	28.3	Very low	109 Å²	109	166.1 Å²	166.1	71%	0.708	83%	0.829	S	S	*	*				-110.4	165.2	-120.7	39.4	-35.2	0	0	0	115.6
133	P	27.8	Very low	28.4	Very low	125 Å²	125	168 Å²	168	81%	0.812	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-86.9	128.8	-175.7	32.6	-31.3	0	0	0	112.9
134	R	28.7	Very low	28.2	Very low	253 Å²	253	167.2 Å²	167.2	96%	0.955	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-80.1	124.2	168.7	-80.1	-177.6	170.3	-127	-0.2	110.6
135	R	25	Very low	28.2	Very low	255 Å²	255	161.8 Å²	161.8	96%	0.962	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-68.8	131.5	173.6	-70.1	170.2	167.5	171	-4.9	111.9
136	A	31.7	Very low	28.4	Very low	95 Å²	95	163.4 Å²	163.4	79%	0.785	82%	0.821	S	S	*	*			trans	-172.4	91.2	143.4	0	0	0	0	0	107.6
137	A	30.1	Very low	28.4	Very low	100 Å²	100	160.7 Å²	160.7	83%	0.826	82%	0.815	S	S	*	*				61.9	81.3	95.7	0	0	0	0	0	114.2
138	F	32.7	Very low	28.4	Very low	177 Å²	177	160.8 Å²	160.8	78%	0.776	82%	0.816	S	S	*	*			trans	-126.2	97.1	151	-144.2	-95.8	0	0	0	108.5	R140	F138-R140 PolarHBondContact O-N 3.39Å
139	R	26.1	Very low	28.7	Very low	220 Å²	220	159.9 Å²	159.9	83%	0.83	81%	0.81	S	S	*	*			trans	-62.8	120.4	173.8	-73	178.3	171.5	-161.7	-1.7	108.8
140	R	33.2	Very low	28.9	Very low	214 Å²	214	155.5 Å²	155.5	81%	0.808	81%	0.805	S	S	*	*			trans	-125.2	119	150.9	-82.6	-170.7	173	126.8	-1	108.4	F138 F142	F138-R140 PolarHBondContact O-N 3.39Å; R140-F142 PolarHBondContact O-N 3.21Å; R140-F142 VanDerWaalsContact O-N 3.16Å
141	H	28.1	Very low	29.2	Very low	156 Å²	156	158.6 Å²	158.6	72%	0.722	81%	0.807	S	S	*	*			trans	-55.5	108.3	174.9	-77.3	-103.7	0	0	0	110.3
142	F	31	Very low	29.4	Very low	195 Å²	195	155.7 Å²	155.7	86%	0.855	80%	0.799	S	S	*	*			trans	-108.9	101.2	145	-104.1	-91.7	0	0	0	105.9	R140 L144	R140-F142 PolarHBondContact O-N 3.21Å; R140-F142 VanDerWaalsContact O-N 3.16Å; F142-L144 VanDerWaalsContact C-N 3.28Å; F142-L144 PolarHBondContact O-N 3.01Å
143	I	29.2	Very low	29.6	Very low	136 Å²	136	160.1 Å²	160.1	70%	0.697	81%	0.807	S	S	*	*			trans	-64.3	99.5	167.6	-67	171.3	0	0	0	105	T145	I143-T145 VanDerWaalsContact C-N 3.3Å; I143-T145 PolarHBondContact O-N 3.2Å
144	L	28	Very low	29.8	Very low	162 Å²	162	159.4 Å²	159.4	85%	0.848	81%	0.806	S	S	*	*			trans	-62	96.1	164.2	-84.1	152.8	0	0	0	106.9	F142 R146	F142-L144 VanDerWaalsContact C-N 3.28Å; F142-L144 PolarHBondContact O-N 3.01Å; L144-R146 VanDerWaalsContact C-N 3.34Å; L144-R146 PolarHBondContact O-N 3Å
145	T	29.9	Very low	30.2	Very low	130 Å²	130	154.6 Å²	154.6	80%	0.798	80%	0.798	S	S	*	*			trans	-61	106.5	159	-16	0	0	0	0	106.2	I143 C147	I143-T145 VanDerWaalsContact C-N 3.3Å; I143-T145 PolarHBondContact O-N 3.2Å; T145-C147 VanDerWaalsContact C-N 3.29Å; T145-C147 PolarHBondContact O-N 2.76Å
146	R	28.3	Very low	30.7	Very low	228 Å²	228	150.6 Å²	150.6	86%	0.86	79%	0.79	S	S	*	*			trans	-47.7	81.5	177.5	-174.6	174.7	169.2	160.6	-3.8	111.7	L144 V148	L144-R146 VanDerWaalsContact C-N 3.34Å; L144-R146 PolarHBondContact O-N 3Å; R146-V148 HydrophobicContact CG-CG2 4.14Å; R146-V148 PolarHBondContact O-N 2.93Å
147	C	27.7	Very low	31.1	Very low	114 Å²	114	154.5 Å²	154.5	77%	0.77	79%	0.792	S	S	*	*			trans	-86.2	94.9	161.6	-158.9	0	0	0	0	106.3	T145 I149	T145-C147 VanDerWaalsContact C-N 3.29Å; T145-C147 PolarHBondContact O-N 2.76Å; C147-I149 PolarHBondContact O-N 3.31Å
148	V	29.7	Very low	31.3	Very low	111 Å²	111	152.7 Å²	152.7	67%	0.673	78%	0.783	S	S	*	*			trans	-57.7	110.1	170.6	176	0	0	0	0	106.4	R146 S150	R146-V148 HydrophobicContact CG-CG2 4.14Å; R146-V148 PolarHBondContact O-N 2.93Å; V148-S150 VanDerWaalsContact C-N 3.34Å; V148-S150 PolarHBondContact O-N 2.85Å
149	I	29.7	Very low	31.5	Very low	144 Å²	144	153.8 Å²	153.8	74%	0.738	79%	0.788	S	S	*	*			trans	-62.2	98.5	172.9	-63.1	167.4	0	0	0	105.8	C147 L151	C147-I149 PolarHBondContact O-N 3.31Å; I149-L151 HydrophobicContact CG2-CD1 4.47Å; I149-L151 PolarHBondContact O-N 2.87Å
150	S	31.9	Very low	32.2	Very low	116 Å²	116	152.5 Å²	152.5	81%	0.811	79%	0.791	S	S	*	*			trans	-72.3	106.9	162.6	-163.8	0	0	0	0	106.1	V148 G152	V148-S150 VanDerWaalsContact C-N 3.34Å; V148-S150 PolarHBondContact O-N 2.85Å; S150-G152 PolarHBondContact O-N 2.71Å
151	L	29	Very low	32.6	Very low	162 Å²	162	147.4 Å²	147.4	85%	0.848	78%	0.784	S	S	*	*			trans	-50.5	131.3	171.4	-112.2	72.4	0	0	0	109.7	I149	I149-L151 HydrophobicContact CG2-CD1 4.47Å; I149-L151 PolarHBondContact O-N 2.87Å
152	G	29.4	Very low	33.8	Very low	68 Å²	68	145.2 Å²	145.2	70%	0.701	78%	0.777	S	S	*	*			trans	118.1	78.7	159.6	0	0	0	0	0	114.9	S150	S150-G152 PolarHBondContact O-N 2.71Å
153	K	33.6	Very low	34.7	Very low	201 Å²	201	143.1 Å²	143.1	87%	0.874	77%	0.774	S	S	*	*				-176	120.6	129.6	-96.3	156.5	-170	-175.8	0	108.3	L155	K153-L155 PolarHBondContact O-N 3.23Å
154	S	33.7	Very low	35.9	Very low	111 Å²	111	145.7 Å²	145.7	78%	0.776	78%	0.78	S	S	*	*			trans	-42.3	123.3	177.6	-164.8	0	0	0	0	111.1	E156	S154-E156 PolarHBondContact O-N 3.09Å
155	L	35.2	Very low	37.5	Very low	151 Å²	151	146.1 Å²	146.1	79%	0.791	77%	0.772	S	S	*	*			trans	-71.4	74.9	167.5	-84.1	110.5	0	0	0	108.4	K153 H157	K153-L155 PolarHBondContact O-N 3.23Å; L155-H157 PolarHBondContact O-N 2.73Å; L155-H157 PolarHBondContact O-ND1 3.22Å
156	E	36.2	Very low	38.6	Very low	171 Å²	171	150.4 Å²	150.4	80%	0.799	77%	0.773	S	S	*	*			trans	-59.4	120.8	153.2	-72.2	-170.4	167.5	0	0	106.5	S154 G158	S154-E156 PolarHBondContact O-N 3.09Å; E156-G158 PolarHBondContact O-N 2.98Å
157	H	39.4	Very low	39.9	Very low	177 Å²	177	143.8 Å²	143.8	82%	0.819	76%	0.76	S	S	*	*			trans	-68.5	73.5	177	-70.4	59.6	0	0	0	108.3	L155 F159	L155-H157 PolarHBondContact O-N 2.73Å; L155-H157 PolarHBondContact O-ND1 3.22Å; H157-F159 PolarHBondContact O-N 2.87Å
158	G	35.6	Very low	41.1	Very low	62 Å²	62	149.8 Å²	149.8	64%	0.639	77%	0.767	S	S	*	*			trans	-77.1	116.9	-176.4	0	0	0	0	0	110.2	E156 E160	E156-G158 PolarHBondContact O-N 2.98Å; G158-E160 PolarHBondContact O-N 3.48Å; G158-E160 VanDerWaalsContact O-N 3.09Å
159	F	36.8	Very low	42.1	Very low	201 Å²	201	154.1 Å²	154.1	88%	0.882	78%	0.777	S	S	*	*			trans	-60	110.7	164.5	-65.2	-94	0	0	0	108.7	H157 T161	H157-F159 PolarHBondContact O-N 2.87Å; F159-T161 PolarHBondContact O-N 2.98Å; F159-T161 VanDerWaalsContact O-N 3.12Å
160	E	40.3	Very low	43.6	Very low	193 Å²	193	151.4 Å²	151.4	90%	0.902	78%	0.776	S	S	*	*			trans	-69.1	108.1	169.8	-84.1	-171.2	161.6	0	0	109.3	G158 N162	G158-E160 PolarHBondContact O-N 3.48Å; G158-E160 VanDerWaalsContact O-N 3.09Å; E160-N162 PolarHBondContact O-N 3.18Å
161	T	42.4	Very low	45	Very low	106 Å²	106	150.8 Å²	150.8	65%	0.65	77%	0.769	S	S	*	*			trans	-71.9	100.1	168	34.1	0	0	0	0	108.5	F159 L163	F159-T161 PolarHBondContact O-N 2.98Å; F159-T161 VanDerWaalsContact O-N 3.12Å; T161-L163 VanDerWaalsContact C-N 3.28Å; T161-L163 PolarHBondContact O-N 2.99Å
162	N	52.6	Low	46.4	Very low	111 Å²	111	148.7 Å²	148.7	59%	0.594	77%	0.767	S	S	*	*			trans	-69.6	86.6	174	-168.7	-25.7	0	0	0	110	E160 K164 Y165	E160-N162 PolarHBondContact O-N 3.18Å; N162-K164 PolarHBondContact O-N 3.03Å; N162-K164 WeakPolarHBondContact OD1-CA 3.25Å; N162-K164 PolarHBondContact OD1-N 3.26Å; N162-K164 VanDerWaalsContact OD1-N 3.1Å; N162-Y165 WeakPolarHBondContact O-CB 3.41Å; N162-Y165 PolarHBondContact O-N 3.43Å; N162-Y165 PolarHBondContact OD1-N 3.36Å; N162-Y165 VanDerWaalsContact OD1-N 3.12Å
163	L	49.9	Very low	47.4	Very low	151 Å²	151	150.7 Å²	150.7	79%	0.791	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.3	-18.1	176.6	-73.1	163.3	0	0	0	112.9	T161	T161-L163 VanDerWaalsContact C-N 3.28Å; T161-L163 PolarHBondContact O-N 2.99Å
164	K	54.3	Low	48.2	Very low	190 Å²	190	145.6 Å²	145.6	83%	0.826	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.7	7.7	177.5	-67.4	-176.9	179.9	177.1	0	113.4	N162 R166	N162-K164 PolarHBondContact O-N 3.03Å; N162-K164 WeakPolarHBondContact OD1-CA 3.25Å; N162-K164 PolarHBondContact OD1-N 3.26Å; N162-K164 VanDerWaalsContact OD1-N 3.1Å; K164-R166 VanDerWaalsContact C-N 3.28Å; K164-R166 PolarHBondContact O-N 3.04Å
165	Y	60.9	Low	48.7	Very low	170 Å²	170	143.4 Å²	143.4	67%	0.667	74%	0.743	S	S	*	*			trans	-65.7	89.8	175.1	-175	-104.8	0	0	0	110.4	N162 P167	N162-Y165 WeakPolarHBondContact O-CB 3.41Å; N162-Y165 PolarHBondContact O-N 3.43Å; N162-Y165 PolarHBondContact OD1-N 3.36Å; N162-Y165 VanDerWaalsContact OD1-N 3.12Å; Y165-P167 HydrophobicContact CE1-CB 4.01Å; Y165-P167 WeakPolarHBondContact O-CD 3.37Å
166	R	54.9	Low	49.1	Very low	220 Å²	220	139.1 Å²	139.1	83%	0.83	73%	0.729	S	S	*	*			trans	-83.6	112.7	158.5	-70.9	-171.1	175.4	-173	-0.4	105.7	K164 R168	K164-R166 VanDerWaalsContact C-N 3.28Å; K164-R166 PolarHBondContact O-N 3.04Å; R166-R168 PolarHBondContact O-N 3.1Å
167	P	53.7	Low	49.4	Very low	90 Å²	90	139.5 Å²	139.5	58%	0.584	72%	0.724	S	S	*	*			trans	-53.6	119.7	170.8	20.5	-29.1	0	0	0	106.9	Y165 K169	Y165-P167 HydrophobicContact CE1-CB 4.01Å; Y165-P167 WeakPolarHBondContact O-CD 3.37Å; P167-K169 PolarHBondContact O-N 3.17Å; P167-K169 VanDerWaalsContact O-N 3.14Å
168	R	53.7	Low	49.6	Very low	239 Å²	239	138 Å²	138	90%	0.902	72%	0.721	S	S	*	*			trans	-55.4	126.6	172.7	-71.2	-174.5	177	-158.1	-0.3	105.6	R166 A170	R166-R168 PolarHBondContact O-N 3.1Å; R168-A170 PolarHBondContact O-N 2.91Å
169	K	50.1	Low	49.6	Very low	203 Å²	203	144.1 Å²	144.1	88%	0.883	73%	0.725	S	S	*	*			trans	-52.3	115.3	167.7	-84.2	-175.2	176.8	-179.9	0	105.4	P167	P167-K169 PolarHBondContact O-N 3.17Å; P167-K169 VanDerWaalsContact O-N 3.14Å
170	A	61.7	Low	49.7	Very low	87 Å²	87	140.4 Å²	140.4	72%	0.719	71%	0.713	S	S	*	*			trans	-52.9	131.8	175	0	0	0	0	0	106.6	R168 S172	R168-A170 PolarHBondContact O-N 2.91Å; A170-S172 PolarHBondContact O-N 3.4Å
171	P	62.2	Low	49.6	Very low	102 Å²	102	134.1 Å²	134.1	66%	0.662	69%	0.694	S	S	*	*			trans	-52.9	142.3	175	18.1	-26.9	0	0	0	108.9	M173	P171-M173 PolarHBondContact O-N 2.89Å
172	S	57	Low	49.4	Very low	118 Å²	118	132.9 Å²	132.9	83%	0.825	68%	0.684	S	S	*	*			trans	-53.6	103.6	169.7	159.1	0	0	0	0	107.5	A170	A170-S172 PolarHBondContact O-N 3.4Å
173	M	51.6	Low	48.7	Very low	111 Å²	111	130.2 Å²	130.2	55%	0.547	67%	0.672	S	S	.	*			trans	-63.9	139.8	178.1	-66	-63.3	-74.9	0	0	108.1	P171 G175 Y177	P171-M173 PolarHBondContact O-N 2.89Å; M173-G175 PolarHBondContact O-N 3.31Å; M173-Y177 HydrophobicContact CE-CD2 4.44Å; M173-Y177 HydrophobicContact CE-CG 4.42Å
174	P	50.8	Low	48.3	Very low	93 Å²	93	126.7 Å²	126.7	60%	0.604	66%	0.664	S	S	*	*			trans	-53.3	137.9	177.4	-23.6	32.4	0	0	0	109.8	A176 Y177	P174-A176 PolarHBondContact O-N 2.96Å; P174-Y177 PolarHBondContact O-N 3.45Å
175	G	43.5	Very low	47.6	Very low	66 Å²	66	121.6 Å²	121.6	68%	0.68	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-54.5	-13.9	-178.5	0	0	0	0	0	114.6	M173 Y177 I178	M173-G175 PolarHBondContact O-N 3.31Å; G175-Y177 VanDerWaalsContact C-N 3.32Å; G175-Y177 PolarHBondContact O-N 2.98Å; G175-I178 CarbonylContact O-C 3.53Å; G175-I178 PolarHBondContact O-N 3.45Å
176	A	44.4	Very low	46.3	Very low	61 Å²	61	122.2 Å²	122.2	50%	0.504	65%	0.647	S	S	.	*	G	3₁₀ helix	trans	-64.5	-26.9	170.6	0	0	0	0	0	114.4	P174 I178 R179	P174-A176 PolarHBondContact O-N 2.96Å; A176-I178 VanDerWaalsContact C-N 3.28Å; A176-I178 PolarHBondContact O-N 3.2Å; A176-R179 PolarHBondContact O-N 2.99Å; A176-R179 VanDerWaalsContact O-N 3.11Å
177	Y	41.4	Very low	45.5	Very low	178 Å²	178	113.2 Å²	113.2	70%	0.698	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-73	-21.8	177.6	-170.2	-98	0	0	0	112.5	M173 P174 G175	M173-Y177 HydrophobicContact CE-CD2 4.44Å; M173-Y177 HydrophobicContact CE-CG 4.42Å; P174-Y177 PolarHBondContact O-N 3.45Å; G175-Y177 VanDerWaalsContact C-N 3.32Å; G175-Y177 PolarHBondContact O-N 2.98Å
178	I	43.8	Very low	44.5	Very low	146 Å²	146	113.8 Å²	113.8	75%	0.749	63%	0.625	S	S	*	*	G	3₁₀ helix	trans	-106.2	38.8	167.6	-38.4	175.8	0	0	0	109.4	G175 A176	G175-I178 CarbonylContact O-C 3.53Å; G175-I178 PolarHBondContact O-N 3.45Å; A176-I178 VanDerWaalsContact C-N 3.28Å; A176-I178 PolarHBondContact O-N 3.2Å
179	R	35.8	Very low	43.8	Very low	191 Å²	191	105.3 Å²	105.3	72%	0.721	61%	0.611	S	S	*	*			trans	-77.8	112	139.8	-67.5	-173.6	-162.7	177.2	6.4	103.8	A176 A181	A176-R179 PolarHBondContact O-N 2.99Å; A176-R179 VanDerWaalsContact O-N 3.11Å; R179-A181 PolarHBondContact O-N 3.27Å
180	L	39.6	Very low	43.3	Very low	123 Å²	123	102 Å²	102	64%	0.644	60%	0.603	S	S	*	*			trans	-53.3	101.9	146.9	-126.7	102.4	0	0	0	103	D182 W548	L180-D182 PolarHBondContact O-N 3.47Å; L180-W548 HydrophobicContact CD2-CH2 3.9Å
181	A	36.4	Very low	42.5	Very low	61 Å²	61	101.3 Å²	101.3	50%	0.504	61%	0.605	S	S	.	*			trans	-64.7	103.5	174.6	0	0	0	0	0	103.4	R179 T183	R179-A181 PolarHBondContact O-N 3.27Å; A181-T183 WeakPolarHBondContact CB-OG1 3.49Å; A181-T183 PolarHBondContact O-N 2.92Å
182	D	38.9	Very low	41.8	Very low	79 Å²	79	101.8 Å²	101.8	42%	0.422	60%	0.598	S	S	.	*	G	3₁₀ helix	trans	-55.1	-4.6	179.7	-99.4	-29.1	0	0	0	111.5	L180 A184 L185 W186	L180-D182 PolarHBondContact O-N 3.47Å; D182-A184 VanDerWaalsContact C-N 3.26Å; D182-A184 PolarHBondContact O-N 3.3Å; D182-A184 VanDerWaalsContact O-N 3.14Å; D182-L185 PolarHBondContact O-N 3.29Å; D182-W186 HydrophobicContact CB-CB 4.42Å; D182-W186 HydrophobicContact CB-CG 4.04Å; D182-W186 VanDerWaalsContact CG-NE1 3.29Å; D182-W186 WeakPolarHBondContact O-CA 3.21Å; D182-W186 VanDerWaalsContact O-CB 3.3Å; D182-W186 WeakPolarHBondContact O-CB 3.26Å; D182-W186 VanDerWaalsContact O-CD1 3.26Å; D182-W186 PolarHBondContact O-N 3.36Å; D182-W186 PolarHBondContact OD1-NE1 3.11Å
183	T	38.2	Very low	42	Very low	56 Å²	56	97.1 Å²	97.1	34%	0.344	57%	0.566	S	S	.	*	G	3₁₀ helix	trans	-54.1	-30.4	178.8	-0.2	0	0	0	0	114.9	A181 L185 G187 E195	A181-T183 WeakPolarHBondContact CB-OG1 3.49Å; A181-T183 PolarHBondContact O-N 2.92Å; T183-L185 VanDerWaalsContact C-N 3.34Å; T183-G187 VanDerWaalsContact O-CA 3.28Å; T183-G187 WeakPolarHBondContact O-CA 3.2Å; T183-G187 PolarHBondContact O-N 3Å; T183-E195 WeakPolarHBondContact CB-OE1 3.41Å; T183-E195 PolarHBondContact OG1-OE1 3.25Å
184	A	42	Very low	42.9	Very low	76 Å²	76	97.3 Å²	97.3	63%	0.628	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-75.8	-22.4	177.2	0	0	0	0	0	113.5	D182	D182-A184 VanDerWaalsContact C-N 3.26Å; D182-A184 PolarHBondContact O-N 3.3Å; D182-A184 VanDerWaalsContact O-N 3.14Å
185	L	38.1	Very low	44.3	Very low	83 Å²	83	97.2 Å²	97.2	44%	0.435	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-110	-30.1	-176.6	-156.2	75.3	0	0	0	112.7	D182 T183 Y544	D182-L185 PolarHBondContact O-N 3.29Å; T183-L185 VanDerWaalsContact C-N 3.34Å; L185-Y544 HydrophobicContact CD1-CE1 4.02Å; L185-Y544 HydrophobicContact CD2-CD1 3.98Å; L185-Y544 HydrophobicContact CD2-CE1 3.66Å; L185-Y544 HydrophobicContact CG-CE1 3.92Å
186	W	34.4	Very low	46.4	Very low	183 Å²	183	97.1 Å²	97.1	69%	0.693	55%	0.546	S	S	*	.	S	Bend	trans	-110.2	18.5	177.2	-58.1	86	0	0	0	112.2	D182 T188	D182-W186 HydrophobicContact CB-CB 4.42Å; D182-W186 HydrophobicContact CB-CG 4.04Å; D182-W186 VanDerWaalsContact CG-NE1 3.29Å; D182-W186 WeakPolarHBondContact O-CA 3.21Å; D182-W186 VanDerWaalsContact O-CB 3.3Å; D182-W186 WeakPolarHBondContact O-CB 3.26Å; D182-W186 VanDerWaalsContact O-CD1 3.26Å; D182-W186 PolarHBondContact O-N 3.36Å; D182-W186 PolarHBondContact OD1-NE1 3.11Å; W186-T188 PolarHBondContact O-N 3.4Å
187	G	38.7	Very low	48.3	Very low	32 Å²	32	96.6 Å²	96.6	33%	0.33	53%	0.534	S	S	.	.	S	Bend	trans	-46.9	112.9	160.9	0	0	0	0	0	105.6	T183 G189	T183-G187 VanDerWaalsContact O-CA 3.28Å; T183-G187 WeakPolarHBondContact O-CA 3.2Å; T183-G187 PolarHBondContact O-N 3Å; G187-G189 PolarHBondContact O-N 3.12Å
188	T	32.8	Very low	50.8	Low	102 Å²	102	88.8 Å²	88.8	63%	0.626	50%	0.503	S	S	*	.			trans	-33.7	128.3	172.1	41.8	0	0	0	0	107	W186 D190 G191	W186-T188 PolarHBondContact O-N 3.4Å; T188-D190 PolarHBondContact O-N 2.91Å; T188-G191 PolarHBondContact O-N 3.38Å
189	G	38.4	Very low	53.1	Low	60 Å²	60	88.1 Å²	88.1	62%	0.619	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	30.9	-162.8	0	0	0	0	0	117.8	G187	G187-G189 PolarHBondContact O-N 3.12Å
190	D	39.3	Very low	55.8	Low	133 Å²	133	80.7 Å²	80.7	71%	0.711	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.4	-5.3	-164.4	-50	39.8	0	0	0	110.5	T188 E192	T188-D190 PolarHBondContact O-N 2.91Å; D190-E192 VanDerWaalsContact C-N 3.28Å; D190-E192 PolarHBondContact O-N 3.37Å
191	G	45.5	Very low	58.4	Low	73 Å²	73	78.1 Å²	78.1	75%	0.753	46%	0.462	S	S	*	.	S	Bend	trans	74.5	3.6	169	0	0	0	0	0	116.6	T188	T188-G191 PolarHBondContact O-N 3.38Å
192	E	48	Very low	61.2	Low	113 Å²	113	81.4 Å²	81.4	53%	0.528	47%	0.471	S	S	.	.			trans	-99.7	70.3	177.2	-80.7	179.7	170	0	0	111.6	D190 D194 R482	D190-E192 VanDerWaalsContact C-N 3.28Å; D190-E192 PolarHBondContact O-N 3.37Å; E192-D194 PolarHBondContact O-N 2.88Å; E192-R482 IonicContact OE1-CZ 3.03Å; E192-R482 IonicContact OE1-NH1 2.73Å; E192-R482 PolarHBondContact OE1-NH1 2.83Å; E192-R482 IonicContact OE1-NH2 3.2Å
193	S	59.8	Low	63.9	Low	20 Å²	20	82.5 Å²	82.5	14%	0.14	47%	0.473	C	S	.	.			trans	-71.7	118.7	163.2	179.9	0	0	0	0	109.4	E195 R234	S193-E195 PolarHBondContact O-N 3.39Å; S193-E195 WeakPolarHBondContact OG-CB 3.35Å; S193-E195 PolarHBondContact OG-N 3.21Å; S193-R234 PolarHBondContact O-NH1 2.85Å; S193-R234 PolarHBondContact O-NH2 3.11Å
194	D	71.1	Confident	66.7	Low	115 Å²	115	79.9 Å²	79.9	62%	0.615	46%	0.457	S	S	*	.			trans	-70.7	-7.2	172.8	-97.8	-9.9	0	0	0	113	E192 R234	E192-D194 PolarHBondContact O-N 2.88Å; D194-R234 IonicContact OD1-NH1 3.29Å; D194-R234 PolarHBondContact OD1-NH1 2.99Å
195	E	80.5	Confident	69.3	Low	90 Å²	90	78.6 Å²	78.6	42%	0.421	44%	0.442	S	S	.	.	S	Bend	trans	-63.4	137.4	171.7	-65.1	177.6	170.2	0	0	110.7	T183 S193 R234 K237	T183-E195 WeakPolarHBondContact CB-OE1 3.41Å; T183-E195 PolarHBondContact OG1-OE1 3.25Å; S193-E195 PolarHBondContact O-N 3.39Å; S193-E195 WeakPolarHBondContact OG-CB 3.35Å; S193-E195 PolarHBondContact OG-N 3.21Å; E195-R234 PolarHBondContact O-NH2 2.94Å; E195-K237 PolarHBondContact O-NZ 3.33Å
196	V	87.1	Confident	72.1	Confident	64 Å²	64	80.7 Å²	80.7	39%	0.388	45%	0.449	S	S	.	.			trans	-89.6	123	174.7	178.5	0	0	0	0	108	E229 Y230 D233	V196-E229 HydrophobicContact CG1-CB 3.91Å; V196-Y230 HydrophobicContact CG2-CD2 3.75Å; V196-Y230 HydrophobicContact CG2-CG 4.49Å; V196-D233 HydrophobicContact CG1-CB 3.91Å
197	E	85.6	Confident	75.1	Confident	51 Å²	51	74.7 Å²	74.7	24%	0.238	43%	0.426	C	S	.	.			trans	-112.3	-9.9	-177.5	-72.3	160	-124.7	0	0	113.7	D199 D233 K237 L519 R521	E197-D199 PolarHBondContact O-N 3.12Å; E197-D233 PolarHBondContact N-OD1 2.87Å; E197-K237 VanDerWaalsContact OE1-CE 3.25Å; E197-K237 WeakPolarHBondContact OE1-CE 3.05Å; E197-K237 IonicContact OE1-NZ 3.09Å; E197-K237 PolarHBondContact OE1-NZ 3.23Å; E197-L519 HydrophobicContact CB-CD2 3.69Å; E197-R521 VanDerWaalsContact CD-CZ 3.45Å; E197-R521 IonicContact OE1-CZ 3.71Å; E197-R521 IonicContact OE1-NH1 3.52Å; E197-R521 PolarHBondContact OE1-NH1 3.48Å; E197-R521 IonicContact OE1-NH2 2.97Å; E197-R521 PolarHBondContact OE1-NH2 3.26Å; E197-R521 IonicContact OE2-CZ 2.82Å; E197-R521 IonicContact OE2-NE 2.7Å; E197-R521 IonicContact OE2-NH1 3.76Å; E197-R521 PolarHBondContact OE2-NH1 3.25Å; E197-R521 IonicContact OE2-NH2 3.73Å; E197-R521 PolarHBondContact OE2-NH2 3.45Å
198	Y	93	Very high	77.9	Confident	13 Å²	13	73.2 Å²	73.2	5%	0.051	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-79.5	116.7	179.3	-172	-84.7	0	0	0	109.3	D204 F228 E229 F232 K509 L518 L519	Y198-D204 WeakPolarHBondContact CE1-OD2 3.44Å; Y198-D204 PolarHBondContact OH-OD1 3.39Å; Y198-D204 PolarHBondContact OH-OD2 3.46Å; Y198-F228 HydrophobicContact CE1-CE1 4.03Å; Y198-E229 WeakPolarHBondContact O-CB 3.13Å; Y198-E229 WeakPolarHBondContact O-CG 3.44Å; Y198-F232 HydrophobicContact CD1-CB 3.61Å; Y198-F232 HydrophobicContact CD1-CD1 4.46Å; Y198-F232 HydrophobicContact CD1-CG 4.26Å; Y198-F232 HydrophobicContact CD2-CB 4.01Å; Y198-F232 HydrophobicContact CD2-CD1 4.24Å; Y198-F232 HydrophobicContact CE1-CB 3.83Å; Y198-F232 AromaticContact CE1-CD1 3.88Å; Y198-F232 HydrophobicContact CE1-CD1 3.88Å; Y198-F232 AromaticContact CE1-CG 3.96Å; Y198-F232 HydrophobicContact CE1-CG 3.96Å; Y198-F232 HydrophobicContact CE2-CB 4.2Å; Y198-F232 AromaticContact CE2-CD1 3.61Å; Y198-F232 HydrophobicContact CE2-CD1 3.61Å; Y198-F232 HydrophobicContact CE2-CE1 4.46Å; Y198-F232 HydrophobicContact CE2-CG 4.31Å; Y198-F232 HydrophobicContact CG-CB 3.71Å; Y198-F232 AromaticContact CZ-CD1 3.42Å; Y198-F232 VanDerWaalsContact CZ-CD1 3.42Å; Y198-F232 AromaticContact CZ-CG 3.99Å; Y198-K509 PolarHBondContact OH-NZ 2.91Å; Y198-L518 HydrophobicContact CD2-CB 4.29Å; Y198-L518 HydrophobicContact CE2-CB 3.88Å; Y198-L518 HydrophobicContact CE2-CD1 3.85Å; Y198-L518 HydrophobicContact CE2-CG 4.49Å; Y198-L519 HydrophobicContact CD2-CD2 4.41Å
199	D	91.1	Very high	81	Confident	133 Å²	133	73.1 Å²	73.1	71%	0.711	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-97	134.9	171.6	-61.1	-42.8	0	0	0	109.6	E197	E197-D199 PolarHBondContact O-N 3.12Å
200	M	94.5	Very high	83.8	Confident	35 Å²	35	73.1 Å²	73.1	17%	0.172	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-66.8	136.5	176	-68.8	-179.7	66.9	0	0	112.1	D204 V205 L208 D225 F228 E229	M200-D204 HydrophobicContact CB-CB 4.03Å; M200-D204 HydrophobicContact CE-CB 3.87Å; M200-D204 HydrophobicContact CG-CB 4.21Å; M200-V205 HydrophobicContact CB-CG2 4.43Å; M200-V205 HydrophobicContact CE-CG2 4.18Å; M200-L208 HydrophobicContact CE-CB 4.04Å; M200-L208 HydrophobicContact CE-CD2 3.66Å; M200-L208 HydrophobicContact SD-CD2 4.25Å; M200-D225 HydrophobicContact SD-CB 3.61Å; M200-F228 HydrophobicContact CE-CD1 3.78Å; M200-F228 HydrophobicContact CE-CE1 4.13Å; M200-F228 HydrophobicContact CE-CG 4.1Å; M200-F228 HydrophobicContact CG-CD1 3.55Å; M200-F228 HydrophobicContact CG-CE1 3.91Å; M200-F228 HydrophobicContact SD-CB 4.13Å; M200-F228 HydrophobicContact SD-CD1 3.62Å; M200-F228 HydrophobicContact SD-CE1 4.36Å; M200-F228 HydrophobicContact SD-CG 4.1Å; M200-E229 HydrophobicContact CG-CG 3.59Å; M200-E229 HydrophobicContact SD-CG 4.14Å
201	D	93.1	Very high	86.5	Confident	68 Å²	68	67.6 Å²	67.6	36%	0.364	37%	0.367	S	S	.	.			trans	-98.4	176.8	167.7	63.2	24.6	0	0	0	112.5	E203 D204 V205 K509	D201-E203 PolarHBondContact O-N 2.9Å; D201-E203 WeakPolarHBondContact OD1-CB 3.42Å; D201-E203 PolarHBondContact OD1-N 3.5Å; D201-D204 PolarHBondContact N-OD2 3.11Å; D201-D204 WeakPolarHBondContact O-CB 3.36Å; D201-D204 PolarHBondContact O-N 2.71Å; D201-D204 VanDerWaalsContact O-N 3.1Å; D201-D204 PolarHBondContact OD1-N 3.19Å; D201-V205 WeakPolarHBondContact O-CG2 3.49Å; D201-V205 PolarHBondContact O-N 3.03Å; D201-K509 IonicContact OD1-NZ 2.95Å; D201-K509 PolarHBondContact OD1-NZ 3.5Å; D201-K509 IonicContact OD2-NZ 2.85Å; D201-K509 PolarHBondContact OD2-NZ 2.86Å
202	D	94.8	Very high	89	Confident	131 Å²	131	65 Å²	65	70%	0.701	34%	0.336	S	S	*	.	H	α-helix	trans	-59.2	-34.9	-178.4	-64.7	-26.3	0	0	0	112.4	V205 H206	D202-V205 PolarHBondContact O-N 3.24Å; D202-H206 PolarHBondContact O-CD2 2.91Å; D202-H206 PolarHBondContact O-N 3.33Å
203	E	95.4	Very high	91.4	Very high	102 Å²	102	65 Å²	65	48%	0.477	34%	0.339	S	S	.	.	H	α-helix	trans	-64.3	-44.1	176.3	-169.5	-173.4	-179.7	0	0	110.7	D201 H206 W207 F505	D201-E203 PolarHBondContact O-N 2.9Å; D201-E203 WeakPolarHBondContact OD1-CB 3.42Å; D201-E203 PolarHBondContact OD1-N 3.5Å; E203-H206 PolarHBondContact O-N 2.94Å; E203-W207 WeakPolarHBondContact O-CB 3.4Å; E203-W207 PolarHBondContact O-N 3.1Å; E203-F505 HydrophobicContact CG-CE2 4.42Å; E203-F505 HydrophobicContact CG-CZ 4.14Å
204	D	97.1	Very high	93.1	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-63	-43.3	176.2	-63.8	-31.4	0	0	0	111.9	Y198 M200 D201 W207 L208 F228 F505 K509	Y198-D204 WeakPolarHBondContact CE1-OD2 3.44Å; Y198-D204 PolarHBondContact OH-OD1 3.39Å; Y198-D204 PolarHBondContact OH-OD2 3.46Å; M200-D204 HydrophobicContact CB-CB 4.03Å; M200-D204 HydrophobicContact CE-CB 3.87Å; M200-D204 HydrophobicContact CG-CB 4.21Å; D201-D204 PolarHBondContact N-OD2 3.11Å; D201-D204 WeakPolarHBondContact O-CB 3.36Å; D201-D204 PolarHBondContact O-N 2.71Å; D201-D204 VanDerWaalsContact O-N 3.1Å; D201-D204 PolarHBondContact OD1-N 3.19Å; D204-W207 PolarHBondContact O-N 3.2Å; D204-L208 VanDerWaalsContact O-CB 3.3Å; D204-L208 WeakPolarHBondContact O-CB 3.19Å; D204-L208 PolarHBondContact O-N 3.38Å; D204-F228 HydrophobicContact CB-CE1 3.61Å; D204-F228 HydrophobicContact CB-CZ 3.74Å; D204-F505 VanDerWaalsContact OD1-CE1 3.32Å; D204-F505 WeakPolarHBondContact OD1-CE1 3.4Å; D204-K509 VanDerWaalsContact OD1-CD 3.31Å; D204-K509 WeakPolarHBondContact OD1-CD 3.26Å; D204-K509 IonicContact OD1-NZ 3.09Å; D204-K509 PolarHBondContact OD1-NZ 3.32Å; D204-K509 IonicContact OD2-NZ 2.7Å; D204-K509 PolarHBondContact OD2-NZ 2.84Å
205	V	97	Very high	94.2	Very high	50 Å²	50	61.1 Å²	61.1	30%	0.303	32%	0.32	S	S	.	.	H	α-helix	trans	-60.1	-49.2	177.9	172.4	0	0	0	0	109.9	M200 D201 D202 W207 L208 Q209	M200-V205 HydrophobicContact CB-CG2 4.43Å; M200-V205 HydrophobicContact CE-CG2 4.18Å; D201-V205 WeakPolarHBondContact O-CG2 3.49Å; D201-V205 PolarHBondContact O-N 3.03Å; D202-V205 PolarHBondContact O-N 3.24Å; V205-W207 PolarHBondContact O-N 3.24Å; V205-L208 PolarHBondContact O-N 2.79Å; V205-Q209 HydrophobicContact CG1-CG 4.46Å; V205-Q209 WeakPolarHBondContact O-CB 3.44Å; V205-Q209 WeakPolarHBondContact O-CG 3.43Å; V205-Q209 PolarHBondContact O-N 2.76Å
206	H	97.4	Very high	95	Very high	126 Å²	126	60 Å²	60	58%	0.583	32%	0.323	S	S	*	.	H	α-helix	trans	-63.7	-41.7	177.9	-76.6	-57.4	0	0	0	112.6	D202 E203 Q209 A210	D202-H206 PolarHBondContact O-CD2 2.91Å; D202-H206 PolarHBondContact O-N 3.33Å; E203-H206 PolarHBondContact O-N 2.94Å; H206-Q209 PolarHBondContact O-N 2.81Å; H206-A210 WeakPolarHBondContact O-CB 3.48Å; H206-A210 PolarHBondContact O-N 3.17Å
207	W	97.7	Very high	95.4	Very high	57 Å²	57	61.4 Å²	61.4	22%	0.216	34%	0.335	C	S	.	.	H	α-helix	trans	-63.3	-46.5	177.5	-175.7	95.3	0	0	0	111.8	E203 D204 V205 A210 M211 F228 F498 R501 L502 F505	E203-W207 WeakPolarHBondContact O-CB 3.4Å; E203-W207 PolarHBondContact O-N 3.1Å; D204-W207 PolarHBondContact O-N 3.2Å; V205-W207 PolarHBondContact O-N 3.24Å; W207-A210 PolarHBondContact O-N 2.94Å; W207-M211 HydrophobicContact CH2-CG 4.41Å; W207-M211 HydrophobicContact CZ3-CB 4.35Å; W207-M211 PolarHBondContact O-N 2.85Å; W207-F228 HydrophobicContact CE3-CD2 4.27Å; W207-F228 AromaticContact CE3-CE2 3.61Å; W207-F228 HydrophobicContact CE3-CE2 3.61Å; W207-F228 HydrophobicContact CZ3-CD2 4.09Å; W207-F228 AromaticContact CZ3-CE2 3.72Å; W207-F228 HydrophobicContact CZ3-CE2 3.72Å; W207-F498 HydrophobicContact CH2-CE2 4.34Å; W207-F498 HydrophobicContact CZ3-CE2 4.17Å; W207-F498 HydrophobicContact CZ3-CZ 4.27Å; W207-R501 HydrophobicContact CH2-CB 4.47Å; W207-R501 HydrophobicContact CZ2-CB 4.05Å; W207-L502 HydrophobicContact CH2-CB 4.12Å; W207-L502 HydrophobicContact CH2-CD1 3.86Å; W207-L502 HydrophobicContact CZ3-CD1 3.73Å; W207-F505 HydrophobicContact CB-CD1 4.38Å; W207-F505 HydrophobicContact CB-CE1 3.82Å; W207-F505 HydrophobicContact CB-CE2 4.19Å; W207-F505 HydrophobicContact CB-CZ 3.71Å; W207-F505 AromaticContact CD1-CD1 3.95Å; W207-F505 AromaticContact CD1-CD2 3.43Å; W207-F505 VanDerWaalsContact CD1-CD2 3.43Å; W207-F505 AromaticContact CD1-CE2 3.62Å; W207-F505 AromaticContact CD1-CG 3.62Å; W207-F505 AromaticContact CD1-CZ 3.96Å; W207-F505 HydrophobicContact CD2-CB 4.39Å; W207-F505 AromaticContact CD2-CD1 3.61Å; W207-F505 HydrophobicContact CD2-CD1 3.61Å; W207-F505 HydrophobicContact CD2-CD2 4.46Å; W207-F505 AromaticContact CD2-CE1 3.95Å; W207-F505 HydrophobicContact CD2-CE1 3.95Å; W207-F505 AromaticContact CD2-CG 3.9Å; W207-F505 HydrophobicContact CD2-CG 3.9Å; W207-F505 AromaticContact CE2-CD1 3.8Å; W207-F505 AromaticContact CE2-CG 3.64Å; W207-F505 HydrophobicContact CE3-CD1 4.05Å; W207-F505 HydrophobicContact CE3-CE1 4.38Å; W207-F505 AromaticContact CG-CD1 3.74Å; W207-F505 HydrophobicContact CG-CD1 3.74Å; W207-F505 AromaticContact CG-CD2 4Å; W207-F505 HydrophobicContact CG-CD2 4Å; W207-F505 AromaticContact CG-CE1 3.68Å; W207-F505 HydrophobicContact CG-CE1 3.68Å; W207-F505 AromaticContact CG-CE2 3.95Å; W207-F505 HydrophobicContact CG-CE2 3.95Å; W207-F505 AromaticContact CG-CG 3.91Å; W207-F505 HydrophobicContact CG-CG 3.91Å; W207-F505 AromaticContact CG-CZ 3.79Å; W207-F505 HydrophobicContact CG-CZ 3.79Å; W207-F505 HydrophobicContact CZ2-CB 3.81Å; W207-F505 HydrophobicContact CZ2-CD1 4.39Å; W207-F505 HydrophobicContact CZ2-CG 4.24Å; W207-F505 AromaticContact NE1-CD1 3.98Å; W207-F505 AromaticContact NE1-CD2 3.59Å; W207-F505 AromaticContact NE1-CG 3.44Å
208	L	97.8	Very high	95.8	Very high	2 Å²	2	63.2 Å²	63.2	1%	0.01	35%	0.346	C	S	.	.	H	α-helix	trans	-66.9	-38.5	-179.9	-176.4	59.7	0	0	0	111.2	M200 D204 V205 M211 N212 V223 F228 F498	M200-L208 HydrophobicContact CE-CB 4.04Å; M200-L208 HydrophobicContact CE-CD2 3.66Å; M200-L208 HydrophobicContact SD-CD2 4.25Å; D204-L208 VanDerWaalsContact O-CB 3.3Å; D204-L208 WeakPolarHBondContact O-CB 3.19Å; D204-L208 PolarHBondContact O-N 3.38Å; V205-L208 PolarHBondContact O-N 2.79Å; L208-M211 PolarHBondContact O-N 3.43Å; L208-N212 VanDerWaalsContact O-CB 3.3Å; L208-N212 WeakPolarHBondContact O-CB 3.4Å; L208-N212 PolarHBondContact O-N 3.43Å; L208-N212 PolarHBondContact O-ND2 2.97Å; L208-V223 HydrophobicContact CD1-CB 4.17Å; L208-V223 HydrophobicContact CD1-CG1 4.4Å; L208-F228 HydrophobicContact CB-CD2 4.4Å; L208-F228 HydrophobicContact CD1-CD2 4.12Å; L208-F228 HydrophobicContact CD2-CB 3.88Å; L208-F228 HydrophobicContact CD2-CD2 4.37Å; L208-F228 HydrophobicContact CD2-CG 4.22Å; L208-F498 HydrophobicContact CD1-CE2 4.14Å; L208-F498 HydrophobicContact CD1-CZ 4.14Å
209	Q	97.3	Very high	95.9	Very high	100 Å²	100	69.9 Å²	69.9	47%	0.467	38%	0.382	S	S	.	.	H	α-helix	trans	-60.2	-48.5	172.7	-76.6	174.3	4.7	0	0	111.7	V205 H206 M211 N212 N213	V205-Q209 HydrophobicContact CG1-CG 4.46Å; V205-Q209 WeakPolarHBondContact O-CB 3.44Å; V205-Q209 WeakPolarHBondContact O-CG 3.43Å; V205-Q209 PolarHBondContact O-N 2.76Å; H206-Q209 PolarHBondContact O-N 2.81Å; Q209-M211 VanDerWaalsContact C-N 3.3Å; Q209-M211 PolarHBondContact O-N 2.98Å; Q209-N212 PolarHBondContact O-N 3.5Å; Q209-N213 VanDerWaalsContact O-CG 3.23Å; Q209-N213 PolarHBondContact O-N 3.24Å; Q209-N213 PolarHBondContact O-ND2 3.31Å
210	A	97.2	Very high	96.1	Very high	59 Å²	59	65 Å²	65	49%	0.488	36%	0.356	S	S	.	.	H	α-helix	trans	-59.9	-41.1	177	0	0	0	0	0	111.8	H206 W207 N213 S214	H206-A210 WeakPolarHBondContact O-CB 3.48Å; H206-A210 PolarHBondContact O-N 3.17Å; W207-A210 PolarHBondContact O-N 2.94Å; A210-N213 PolarHBondContact O-N 2.97Å; A210-S214 PolarHBondContact O-N 3.32Å; A210-S214 VanDerWaalsContact O-N 3.1Å
211	M	96.7	Very high	96.2	Very high	17 Å²	17	67.4 Å²	67.4	8%	0.084	37%	0.374	C	S	.	.	H	α-helix	trans	-66	-42.4	176	-168.2	57.1	175.7	0	0	111.7	W207 L208 Q209 N213 S214 R215 F498 R501	W207-M211 HydrophobicContact CH2-CG 4.41Å; W207-M211 HydrophobicContact CZ3-CB 4.35Å; W207-M211 PolarHBondContact O-N 2.85Å; L208-M211 PolarHBondContact O-N 3.43Å; Q209-M211 VanDerWaalsContact C-N 3.3Å; Q209-M211 PolarHBondContact O-N 2.98Å; M211-N213 PolarHBondContact O-N 2.65Å; M211-S214 PolarHBondContact O-N 3.01Å; M211-R215 VanDerWaalsContact O-CG 3.25Å; M211-R215 WeakPolarHBondContact O-CG 3.36Å; M211-R215 PolarHBondContact O-N 3.23Å; M211-F498 HydrophobicContact CE-CB 4.23Å; M211-F498 HydrophobicContact CE-CD2 3.71Å; M211-F498 HydrophobicContact CE-CG 4.41Å; M211-F498 HydrophobicContact CG-CD2 3.72Å; M211-F498 HydrophobicContact CG-CE2 3.73Å; M211-R501 HydrophobicContact CE-CB 4.46Å
212	N	97.2	Very high	96.3	Very high	18 Å²	18	72.6 Å²	72.6	10%	0.096	39%	0.389	C	S	.	.	H	α-helix	trans	-67.3	-32.5	176.8	-80.9	-29.1	0	0	0	112.9	L208 Q209 R215 S216 R222 V223	L208-N212 VanDerWaalsContact O-CB 3.3Å; L208-N212 WeakPolarHBondContact O-CB 3.4Å; L208-N212 PolarHBondContact O-N 3.43Å; L208-N212 PolarHBondContact O-ND2 2.97Å; Q209-N212 PolarHBondContact O-N 3.5Å; N212-R215 PolarHBondContact O-N 2.84Å; N212-S216 WeakPolarHBondContact O-CB 3.26Å; N212-S216 PolarHBondContact O-N 3.01Å; N212-S216 PolarHBondContact O-OG 3.17Å; N212-R222 HydrophobicContact CB-CB 4.47Å; N212-R222 WeakPolarHBondContact OD1-CA 3.39Å; N212-V223 PolarHBondContact ND2-O 3.34Å; N212-V223 PolarHBondContact OD1-N 3.35Å
213	N	97.2	Very high	96.4	Very high	113 Å²	113	66.4 Å²	66.4	60%	0.604	36%	0.356	S	S	*	.	H	α-helix	trans	-64	-45.8	171.2	-70.3	-18.8	0	0	0	111	Q209 A210 M211 R215 S216 S217	Q209-N213 VanDerWaalsContact O-CG 3.23Å; Q209-N213 PolarHBondContact O-N 3.24Å; Q209-N213 PolarHBondContact O-ND2 3.31Å; A210-N213 PolarHBondContact O-N 2.97Å; M211-N213 PolarHBondContact O-N 2.65Å; N213-R215 VanDerWaalsContact C-N 3.27Å; N213-R215 PolarHBondContact O-N 3.29Å; N213-S216 PolarHBondContact O-N 3.47Å; N213-S217 PolarHBondContact O-N 3.08Å; N213-S217 VanDerWaalsContact O-N 3.11Å
214	S	95.7	Very high	96.4	Very high	46 Å²	46	63.1 Å²	63.1	32%	0.322	34%	0.344	S	S	.	.	H	α-helix	trans	-65	-29.1	174.2	-177.8	0	0	0	0	113.1	A210 M211 S217	A210-S214 PolarHBondContact O-N 3.32Å; A210-S214 VanDerWaalsContact O-N 3.1Å; M211-S214 PolarHBondContact O-N 3.01Å; S214-S217 PolarHBondContact O-OG 3.11Å
215	R	95.8	Very high	96.3	Very high	9 Å²	9	67.1 Å²	67.1	3%	0.034	37%	0.365	C	S	.	.	H	α-helix	trans	-74.3	-39.5	174.3	-73.6	176.7	70.6	80.1	1	111.3	M211 N212 N213 S217 L218 N219 L220 P221 A493	M211-R215 VanDerWaalsContact O-CG 3.25Å; M211-R215 WeakPolarHBondContact O-CG 3.36Å; M211-R215 PolarHBondContact O-N 3.23Å; N212-R215 PolarHBondContact O-N 2.84Å; N213-R215 VanDerWaalsContact C-N 3.27Å; N213-R215 PolarHBondContact O-N 3.29Å; R215-S217 VanDerWaalsContact C-N 3.34Å; R215-S217 PolarHBondContact O-N 3.22Å; R215-L218 CarbonylContact O-C 3.58Å; R215-L218 WeakPolarHBondContact O-CA 3.46Å; R215-L218 PolarHBondContact O-N 3.27Å; R215-N219 PolarHBondContact O-N 3.28Å; R215-L220 HydrophobicContact CB-CB 3.99Å; R215-L220 HydrophobicContact CG-CB 4.47Å; R215-L220 HydrophobicContact CG-CD1 4.41Å; R215-L220 WeakPolarHBondContact O-CB 3.22Å; R215-L220 PolarHBondContact O-N 2.9Å; R215-P221 PolarHBondContact NE-O 3.33Å; R215-P221 PolarHBondContact NH2-O 3.46Å; R215-A493 PolarHBondContact NH1-O 3.31Å; R215-A493 VanDerWaalsContact NH1-O 3.11Å; R215-A493 PolarHBondContact NH2-O 2.69Å
216	S	95.6	Very high	96.2	Very high	67 Å²	67	68.2 Å²	68.2	47%	0.469	38%	0.375	S	S	.	.	H	α-helix	trans	-63.2	-39.1	178	-59.5	0	0	0	0	111.8	N212 N213 L218 N219	N212-S216 WeakPolarHBondContact O-CB 3.26Å; N212-S216 PolarHBondContact O-N 3.01Å; N212-S216 PolarHBondContact O-OG 3.17Å; N213-S216 PolarHBondContact O-N 3.47Å; S216-L218 PolarHBondContact O-N 3.24Å; S216-N219 PolarHBondContact O-N 2.89Å
217	S	96	Very high	96.1	Very high	92 Å²	92	64.1 Å²	64.1	64%	0.643	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-18.9	174.2	64.8	0	0	0	0	113.9	N213 S214 R215	N213-S217 PolarHBondContact O-N 3.08Å; N213-S217 VanDerWaalsContact O-N 3.11Å; S214-S217 PolarHBondContact O-OG 3.11Å; R215-S217 VanDerWaalsContact C-N 3.34Å; R215-S217 PolarHBondContact O-N 3.22Å
218	L	94.8	Very high	96	Very high	89 Å²	89	61.4 Å²	61.4	47%	0.466	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	12.1	174.7	-63.3	171.6	0	0	0	112.7	R215 S216 L220	R215-L218 CarbonylContact O-C 3.58Å; R215-L218 WeakPolarHBondContact O-CA 3.46Å; R215-L218 PolarHBondContact O-N 3.27Å; S216-L218 PolarHBondContact O-N 3.24Å; L218-L220 HydrophobicContact CB-CD1 3.95Å; L218-L220 HydrophobicContact CB-CG 4.08Å; L218-L220 HydrophobicContact CD1-CD1 4.3Å; L218-L220 PolarHBondContact O-N 3Å
219	N	94.8	Very high	95.9	Very high	153 Å²	153	63.9 Å²	63.9	82%	0.818	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	30.3	-175.7	-60.7	-52	0	0	0	114.1	R215 S216	R215-N219 PolarHBondContact O-N 3.28Å; S216-N219 PolarHBondContact O-N 2.89Å
220	L	95.6	Very high	95.8	Very high	30 Å²	30	61 Å²	61	16%	0.157	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-93	142.6	177	-61.9	166.8	0	0	0	110.5	R215 L218 A493 R494	R215-L220 HydrophobicContact CB-CB 3.99Å; R215-L220 HydrophobicContact CG-CB 4.47Å; R215-L220 HydrophobicContact CG-CD1 4.41Å; R215-L220 WeakPolarHBondContact O-CB 3.22Å; R215-L220 PolarHBondContact O-N 2.9Å; L218-L220 HydrophobicContact CB-CD1 3.95Å; L218-L220 HydrophobicContact CB-CG 4.08Å; L218-L220 HydrophobicContact CD1-CD1 4.3Å; L218-L220 PolarHBondContact O-N 3Å; L220-A493 HydrophobicContact CD2-CB 4.19Å; L220-R494 HydrophobicContact CD1-CB 4.41Å; L220-R494 HydrophobicContact CD1-CG 4.42Å; L220-R494 HydrophobicContact CD2-CG 4.13Å
221	P	95.1	Very high	95.7	Very high	86 Å²	86	58.4 Å²	58.4	56%	0.558	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-57.3	143.4	173.3	-24	32.9	0	0	0	112.3	R215	R215-P221 PolarHBondContact NE-O 3.33Å; R215-P221 PolarHBondContact NH2-O 3.46Å
222	R	95.9	Very high	95.6	Very high	178 Å²	178	57.6 Å²	57.6	67%	0.672	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-61.4	144.5	173.2	75.4	177.9	-177.4	109.4	-3.1	110.8	N212	N212-R222 HydrophobicContact CB-CB 4.47Å; N212-R222 WeakPolarHBondContact OD1-CA 3.39Å
223	V	96.6	Very high	95.4	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-85	132.3	166.2	-178.4	0	0	0	0	107.7	L208 N212 I227 I492 F498	L208-V223 HydrophobicContact CD1-CB 4.17Å; L208-V223 HydrophobicContact CD1-CG1 4.4Å; N212-V223 PolarHBondContact ND2-O 3.34Å; N212-V223 PolarHBondContact OD1-N 3.35Å; V223-I227 HydrophobicContact CG1-CB 3.91Å; V223-I227 HydrophobicContact CG1-CG2 3.74Å; V223-I492 HydrophobicContact CG2-CD1 4.42Å; V223-I492 HydrophobicContact CG2-CG2 4.34Å; V223-F498 HydrophobicContact CB-CE2 4.08Å; V223-F498 HydrophobicContact CB-CZ 4.01Å; V223-F498 HydrophobicContact CG1-CE1 4.05Å; V223-F498 HydrophobicContact CG1-CE2 4.29Å; V223-F498 HydrophobicContact CG1-CZ 3.7Å; V223-F498 HydrophobicContact CG2-CD1 4.47Å; V223-F498 HydrophobicContact CG2-CD2 3.93Å; V223-F498 HydrophobicContact CG2-CE1 4.28Å; V223-F498 HydrophobicContact CG2-CE2 3.72Å; V223-F498 HydrophobicContact CG2-CG 4.31Å; V223-F498 HydrophobicContact CG2-CZ 3.91Å
224	S	96	Very high	95.1	Very high	33 Å²	33	52.1 Å²	52.1	23%	0.231	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-80.1	155.2	178	61.1	0	0	0	0	111.8	S226 I227 F228	S224-S226 VanDerWaalsContact C-N 3.28Å; S224-S226 PolarHBondContact O-N 2.68Å; S224-S226 PolarHBondContact OG-OG 3.23Å; S224-I227 PolarHBondContact O-N 2.75Å; S224-I227 WeakPolarHBondContact OG-CD1 3.42Å; S224-I227 WeakPolarHBondContact OG-CG1 3.35Å; S224-F228 PolarHBondContact O-N 3.07Å; S224-F228 VanDerWaalsContact O-N 3.16Å
225	D	95.8	Very high	94.9	Very high	84 Å²	84	49.9 Å²	49.9	45%	0.449	27%	0.272	S	S	.	.	H	α-helix	trans	-55.2	-44.6	177.4	-52.5	-4.5	0	0	0	110.7	M200 I227 F228 E229	M200-D225 HydrophobicContact SD-CB 3.61Å; D225-I227 VanDerWaalsContact C-N 3.29Å; D225-I227 PolarHBondContact O-N 2.98Å; D225-F228 WeakPolarHBondContact O-CA 3.36Å; D225-F228 VanDerWaalsContact O-CB 3.32Å; D225-F228 WeakPolarHBondContact O-CB 3.47Å; D225-F228 PolarHBondContact O-N 3.35Å; D225-E229 WeakPolarHBondContact O-CG 3.42Å; D225-E229 PolarHBondContact O-N 3.44Å
226	S	93.9	Very high	94.6	Very high	73 Å²	73	49.5 Å²	49.5	51%	0.51	27%	0.27	S	S	.	.	H	α-helix	trans	-58.9	-33.1	175.9	59.5	0	0	0	0	115	S224 Y230	S224-S226 VanDerWaalsContact C-N 3.28Å; S224-S226 PolarHBondContact O-N 2.68Å; S224-S226 PolarHBondContact OG-OG 3.23Å; S226-Y230 VanDerWaalsContact O-CB 3.25Å; S226-Y230 WeakPolarHBondContact O-CB 3.48Å; S226-Y230 PolarHBondContact O-N 3.07Å
227	I	94.9	Very high	94.1	Very high	41 Å²	41	48.4 Å²	48.4	21%	0.21	26%	0.257	C	S	.	.	H	α-helix	trans	-74.2	-38.1	176	-69.8	170	0	0	0	109.6	V223 S224 D225 L231 V490 I492	V223-I227 HydrophobicContact CG1-CB 3.91Å; V223-I227 HydrophobicContact CG1-CG2 3.74Å; S224-I227 PolarHBondContact O-N 2.75Å; S224-I227 WeakPolarHBondContact OG-CD1 3.42Å; S224-I227 WeakPolarHBondContact OG-CG1 3.35Å; D225-I227 VanDerWaalsContact C-N 3.29Å; D225-I227 PolarHBondContact O-N 2.98Å; I227-L231 HydrophobicContact CG2-CD1 3.84Å; I227-L231 HydrophobicContact CG2-CG 4.37Å; I227-L231 WeakPolarHBondContact O-CB 3.42Å; I227-L231 VanDerWaalsContact O-CG 3.22Å; I227-L231 WeakPolarHBondContact O-CG 3.31Å; I227-L231 PolarHBondContact O-N 2.76Å; I227-V490 HydrophobicContact CG2-CG1 3.6Å; I227-I492 HydrophobicContact CD1-CG2 3.95Å; I227-I492 HydrophobicContact CG2-CG2 4.3Å
228	F	96.4	Very high	93.6	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-63	-50.9	175.9	179.1	-80.5	0	0	0	110.9	Y198 M200 D204 W207 L208 S224 D225 Y230 L231 F232 L502 F505	Y198-F228 HydrophobicContact CE1-CE1 4.03Å; M200-F228 HydrophobicContact CE-CD1 3.78Å; M200-F228 HydrophobicContact CE-CE1 4.13Å; M200-F228 HydrophobicContact CE-CG 4.1Å; M200-F228 HydrophobicContact CG-CD1 3.55Å; M200-F228 HydrophobicContact CG-CE1 3.91Å; M200-F228 HydrophobicContact SD-CB 4.13Å; M200-F228 HydrophobicContact SD-CD1 3.62Å; M200-F228 HydrophobicContact SD-CE1 4.36Å; M200-F228 HydrophobicContact SD-CG 4.1Å; D204-F228 HydrophobicContact CB-CE1 3.61Å; D204-F228 HydrophobicContact CB-CZ 3.74Å; W207-F228 HydrophobicContact CE3-CD2 4.27Å; W207-F228 AromaticContact CE3-CE2 3.61Å; W207-F228 HydrophobicContact CE3-CE2 3.61Å; W207-F228 HydrophobicContact CZ3-CD2 4.09Å; W207-F228 AromaticContact CZ3-CE2 3.72Å; W207-F228 HydrophobicContact CZ3-CE2 3.72Å; L208-F228 HydrophobicContact CB-CD2 4.4Å; L208-F228 HydrophobicContact CD1-CD2 4.12Å; L208-F228 HydrophobicContact CD2-CB 3.88Å; L208-F228 HydrophobicContact CD2-CD2 4.37Å; L208-F228 HydrophobicContact CD2-CG 4.22Å; S224-F228 PolarHBondContact O-N 3.07Å; S224-F228 VanDerWaalsContact O-N 3.16Å; D225-F228 WeakPolarHBondContact O-CA 3.36Å; D225-F228 VanDerWaalsContact O-CB 3.32Å; D225-F228 WeakPolarHBondContact O-CB 3.47Å; D225-F228 PolarHBondContact O-N 3.35Å; F228-Y230 PolarHBondContact O-N 3.4Å; F228-L231 PolarHBondContact O-N 3.41Å; F228-L231 VanDerWaalsContact O-N 3.17Å; F228-F232 HydrophobicContact CD1-CD2 4.11Å; F228-F232 HydrophobicContact CD2-CD2 4.36Å; F228-F232 HydrophobicContact CD2-CE2 4.36Å; F228-F232 AromaticContact CE1-CD2 3.58Å; F228-F232 HydrophobicContact CE1-CD2 3.58Å; F228-F232 AromaticContact CE1-CE2 3.79Å; F228-F232 HydrophobicContact CE1-CE2 3.79Å; F228-F232 HydrophobicContact CE1-CG 4.04Å; F228-F232 HydrophobicContact CE1-CZ 4.41Å; F228-F232 AromaticContact CE2-CD2 3.87Å; F228-F232 HydrophobicContact CE2-CD2 3.87Å; F228-F232 AromaticContact CE2-CE2 3.5Å; F228-F232 HydrophobicContact CE2-CE2 3.5Å; F228-F232 HydrophobicContact CE2-CZ 4.38Å; F228-F232 HydrophobicContact CG-CD2 4.47Å; F228-F232 AromaticContact CZ-CD2 3.45Å; F228-F232 HydrophobicContact CZ-CD2 3.45Å; F228-F232 VanDerWaalsContact CZ-CD2 3.45Å; F228-F232 HydrophobicContact CZ-CE1 4.49Å; F228-F232 AromaticContact CZ-CE2 3.16Å; F228-F232 HydrophobicContact CZ-CE2 3.16Å; F228-F232 HydrophobicContact CZ-CG 4.24Å; F228-F232 AromaticContact CZ-CZ 3.75Å; F228-F232 HydrophobicContact CZ-CZ 3.75Å; F228-F232 PolarHBondContact O-N 3.37Å; F228-L502 HydrophobicContact CD2-CD1 3.48Å; F228-L502 VanDerWaalsContact CD2-CD1 3.48Å; F228-L502 HydrophobicContact CE2-CD1 3.44Å; F228-L502 VanDerWaalsContact CE2-CD1 3.44Å; F228-L502 HydrophobicContact CG-CD1 4.48Å; F228-L502 HydrophobicContact CZ-CD1 4.42Å; F228-F505 HydrophobicContact CE2-CD1 4.34Å; F228-F505 HydrophobicContact CE2-CE1 4.37Å; F228-F505 HydrophobicContact CZ-CD1 4.25Å; F228-F505 AromaticContact CZ-CE1 3.97Å; F228-F505 HydrophobicContact CZ-CE1 3.97Å
229	E	96.1	Very high	93	Very high	54 Å²	54	42.9 Å²	42.9	25%	0.252	22%	0.221	S	C	.	.	H	α-helix	trans	-55	-49.6	176	-71	173.2	164.5	0	0	111.4	V196 Y198 M200 D225 L231 F232 D233	V196-E229 HydrophobicContact CG1-CB 3.91Å; Y198-E229 WeakPolarHBondContact O-CB 3.13Å; Y198-E229 WeakPolarHBondContact O-CG 3.44Å; M200-E229 HydrophobicContact CG-CG 3.59Å; M200-E229 HydrophobicContact SD-CG 4.14Å; D225-E229 WeakPolarHBondContact O-CG 3.42Å; D225-E229 PolarHBondContact O-N 3.44Å; E229-L231 PolarHBondContact O-N 3.04Å; E229-F232 PolarHBondContact O-N 3.47Å; E229-D233 VanDerWaalsContact O-CB 3.23Å; E229-D233 WeakPolarHBondContact O-CB 3.48Å; E229-D233 PolarHBondContact O-N 3Å
230	Y	94.4	Very high	91.8	Very high	40 Å²	40	41 Å²	41	16%	0.157	20%	0.203	C	C	.	.	H	α-helix	trans	-56.3	-48.4	176	174.5	-96	0	0	0	112.2	V196 S226 F228 D233 R234 K489 V490	V196-Y230 HydrophobicContact CG2-CD2 3.75Å; V196-Y230 HydrophobicContact CG2-CG 4.49Å; S226-Y230 VanDerWaalsContact O-CB 3.25Å; S226-Y230 WeakPolarHBondContact O-CB 3.48Å; S226-Y230 PolarHBondContact O-N 3.07Å; F228-Y230 PolarHBondContact O-N 3.4Å; Y230-D233 PolarHBondContact O-N 3.45Å; Y230-R234 HydrophobicContact CD1-CG 4.33Å; Y230-R234 HydrophobicContact CD2-CG 4.25Å; Y230-R234 HydrophobicContact CE1-CG 3.87Å; Y230-R234 HydrophobicContact CE2-CG 3.78Å; Y230-R234 HydrophobicContact CG-CG 4.5Å; Y230-R234 WeakPolarHBondContact O-CB 3.47Å; Y230-R234 VanDerWaalsContact O-CG 3.26Å; Y230-R234 WeakPolarHBondContact O-CG 3.4Å; Y230-R234 PolarHBondContact O-N 2.95Å; Y230-K489 HydrophobicContact CE1-CB 4.32Å; Y230-K489 WeakPolarHBondContact OH-CB 3.08Å; Y230-K489 WeakPolarHBondContact OH-CD 3.13Å; Y230-V490 HydrophobicContact CD1-CG2 3.7Å; Y230-V490 HydrophobicContact CE1-CG2 3.65Å
231	L	95.1	Very high	90.3	Very high	3 Å²	3	42 Å²	42	2%	0.016	21%	0.206	C	C	.	.	H	α-helix	trans	-66.9	-41	-177.9	-72.4	169.8	0	0	0	111.8	I227 F228 E229 R234 L235 I486 V490 F498 F499 L502	I227-L231 HydrophobicContact CG2-CD1 3.84Å; I227-L231 HydrophobicContact CG2-CG 4.37Å; I227-L231 WeakPolarHBondContact O-CB 3.42Å; I227-L231 VanDerWaalsContact O-CG 3.22Å; I227-L231 WeakPolarHBondContact O-CG 3.31Å; I227-L231 PolarHBondContact O-N 2.76Å; F228-L231 PolarHBondContact O-N 3.41Å; F228-L231 VanDerWaalsContact O-N 3.17Å; E229-L231 PolarHBondContact O-N 3.04Å; L231-R234 PolarHBondContact O-N 3.18Å; L231-L235 WeakPolarHBondContact O-CB 3.49Å; L231-L235 WeakPolarHBondContact O-CG 3.21Å; L231-L235 PolarHBondContact O-N 3.24Å; L231-I486 HydrophobicContact CD2-CG2 3.88Å; L231-V490 HydrophobicContact CD2-CB 4.45Å; L231-V490 HydrophobicContact CD2-CG2 3.65Å; L231-V490 HydrophobicContact CG-CG2 4.12Å; L231-F498 HydrophobicContact CD1-CE1 3.97Å; L231-F499 HydrophobicContact CD2-CD2 4.21Å; L231-F499 HydrophobicContact CD2-CE2 4.07Å; L231-L502 HydrophobicContact CB-CD2 3.42Å; L231-L502 VanDerWaalsContact CB-CD2 3.42Å; L231-L502 HydrophobicContact CD1-CD2 3.62Å; L231-L502 HydrophobicContact CG-CD2 4.08Å
232	F	94.8	Very high	88.5	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64.2	-45.5	175.3	-103.2	-105.2	0	0	0	111.9	Y198 F228 E229 R234 L235 E236 L502 F505 W506 K509 L518	Y198-F232 HydrophobicContact CD1-CB 3.61Å; Y198-F232 HydrophobicContact CD1-CD1 4.46Å; Y198-F232 HydrophobicContact CD1-CG 4.26Å; Y198-F232 HydrophobicContact CD2-CB 4.01Å; Y198-F232 HydrophobicContact CD2-CD1 4.24Å; Y198-F232 HydrophobicContact CE1-CB 3.83Å; Y198-F232 AromaticContact CE1-CD1 3.88Å; Y198-F232 HydrophobicContact CE1-CD1 3.88Å; Y198-F232 AromaticContact CE1-CG 3.96Å; Y198-F232 HydrophobicContact CE1-CG 3.96Å; Y198-F232 HydrophobicContact CE2-CB 4.2Å; Y198-F232 AromaticContact CE2-CD1 3.61Å; Y198-F232 HydrophobicContact CE2-CD1 3.61Å; Y198-F232 HydrophobicContact CE2-CE1 4.46Å; Y198-F232 HydrophobicContact CE2-CG 4.31Å; Y198-F232 HydrophobicContact CG-CB 3.71Å; Y198-F232 AromaticContact CZ-CD1 3.42Å; Y198-F232 VanDerWaalsContact CZ-CD1 3.42Å; Y198-F232 AromaticContact CZ-CG 3.99Å; F228-F232 HydrophobicContact CD1-CD2 4.11Å; F228-F232 HydrophobicContact CD2-CD2 4.36Å; F228-F232 HydrophobicContact CD2-CE2 4.36Å; F228-F232 AromaticContact CE1-CD2 3.58Å; F228-F232 HydrophobicContact CE1-CD2 3.58Å; F228-F232 AromaticContact CE1-CE2 3.79Å; F228-F232 HydrophobicContact CE1-CE2 3.79Å; F228-F232 HydrophobicContact CE1-CG 4.04Å; F228-F232 HydrophobicContact CE1-CZ 4.41Å; F228-F232 AromaticContact CE2-CD2 3.87Å; F228-F232 HydrophobicContact CE2-CD2 3.87Å; F228-F232 AromaticContact CE2-CE2 3.5Å; F228-F232 HydrophobicContact CE2-CE2 3.5Å; F228-F232 HydrophobicContact CE2-CZ 4.38Å; F228-F232 HydrophobicContact CG-CD2 4.47Å; F228-F232 AromaticContact CZ-CD2 3.45Å; F228-F232 HydrophobicContact CZ-CD2 3.45Å; F228-F232 VanDerWaalsContact CZ-CD2 3.45Å; F228-F232 HydrophobicContact CZ-CE1 4.49Å; F228-F232 AromaticContact CZ-CE2 3.16Å; F228-F232 HydrophobicContact CZ-CE2 3.16Å; F228-F232 HydrophobicContact CZ-CG 4.24Å; F228-F232 AromaticContact CZ-CZ 3.75Å; F228-F232 HydrophobicContact CZ-CZ 3.75Å; F228-F232 PolarHBondContact O-N 3.37Å; E229-F232 PolarHBondContact O-N 3.47Å; F232-R234 PolarHBondContact O-N 3.18Å; F232-L235 PolarHBondContact O-N 3.2Å; F232-E236 WeakPolarHBondContact O-CB 3.04Å; F232-E236 PolarHBondContact O-N 2.83Å; F232-L502 HydrophobicContact CD2-CD1 3.94Å; F232-L502 HydrophobicContact CD2-CG 4.24Å; F232-L502 HydrophobicContact CE2-CD1 3.61Å; F232-L502 HydrophobicContact CE2-CG 3.94Å; F232-F505 AromaticContact CE2-CD1 3.97Å; F232-F505 HydrophobicContact CE2-CD1 3.97Å; F232-F505 HydrophobicContact CE2-CE1 4.46Å; F232-F505 AromaticContact CZ-CD1 3.55Å; F232-F505 HydrophobicContact CZ-CD1 3.55Å; F232-F505 AromaticContact CZ-CE1 3.92Å; F232-F505 HydrophobicContact CZ-CE1 3.92Å; F232-F505 HydrophobicContact CZ-CG 4.46Å; F232-W506 HydrophobicContact CD1-CB 4.45Å; F232-W506 AromaticContact CD1-CD1 3.8Å; F232-W506 HydrophobicContact CE1-CB 3.84Å; F232-W506 AromaticContact CE1-CD1 3.8Å; F232-W506 HydrophobicContact CE1-CG 4.24Å; F232-W506 HydrophobicContact CE2-CB 4.25Å; F232-W506 HydrophobicContact CZ-CB 3.72Å; F232-K509 HydrophobicContact CE1-CD 3.99Å; F232-K509 HydrophobicContact CZ-CD 4.32Å; F232-L518 HydrophobicContact CD1-CD1 3.86Å; F232-L518 HydrophobicContact CE1-CD1 3.89Å
233	D	92.3	Very high	86.4	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-56.9	-47.3	174.9	176.9	89.5	0	0	0	111.6	V196 E197 E229 Y230 E236 K237	V196-D233 HydrophobicContact CG1-CB 3.91Å; E197-D233 PolarHBondContact N-OD1 2.87Å; E229-D233 VanDerWaalsContact O-CB 3.23Å; E229-D233 WeakPolarHBondContact O-CB 3.48Å; E229-D233 PolarHBondContact O-N 3Å; Y230-D233 PolarHBondContact O-N 3.45Å; D233-E236 PolarHBondContact O-N 3.31Å; D233-K237 WeakPolarHBondContact O-CB 3.41Å; D233-K237 WeakPolarHBondContact O-CG 2.96Å; D233-K237 PolarHBondContact O-N 2.97Å; D233-K237 WeakPolarHBondContact OD1-CE 3.09Å; D233-K237 IonicContact OD1-NZ 2.94Å; D233-K237 PolarHBondContact OD1-NZ 2.88Å; D233-K237 WeakPolarHBondContact OD2-CD 3.45Å; D233-K237 IonicContact OD2-NZ 3.06Å; D233-K237 PolarHBondContact OD2-NZ 3.08Å; D233-K237 VanDerWaalsContact OD2-NZ 3.13Å
234	R	91.7	Very high	84	Confident	16 Å²	16	41.6 Å²	41.6	6%	0.06	22%	0.217	C	C	.	.	H	α-helix	trans	-68	-43	178.7	-68.5	-56.6	106.2	156.2	9	112.9	S193 D194 E195 Y230 L231 F232 E236 K237 E238 I486	S193-R234 PolarHBondContact O-NH1 2.85Å; S193-R234 PolarHBondContact O-NH2 3.11Å; D194-R234 IonicContact OD1-NH1 3.29Å; D194-R234 PolarHBondContact OD1-NH1 2.99Å; E195-R234 PolarHBondContact O-NH2 2.94Å; Y230-R234 HydrophobicContact CD1-CG 4.33Å; Y230-R234 HydrophobicContact CD2-CG 4.25Å; Y230-R234 HydrophobicContact CE1-CG 3.87Å; Y230-R234 HydrophobicContact CE2-CG 3.78Å; Y230-R234 HydrophobicContact CG-CG 4.5Å; Y230-R234 WeakPolarHBondContact O-CB 3.47Å; Y230-R234 VanDerWaalsContact O-CG 3.26Å; Y230-R234 WeakPolarHBondContact O-CG 3.4Å; Y230-R234 PolarHBondContact O-N 2.95Å; L231-R234 PolarHBondContact O-N 3.18Å; F232-R234 PolarHBondContact O-N 3.18Å; R234-E236 PolarHBondContact O-N 2.99Å; R234-K237 PolarHBondContact O-N 2.47Å; R234-E238 VanDerWaalsContact O-CB 3.26Å; R234-E238 WeakPolarHBondContact O-CB 3.46Å; R234-E238 WeakPolarHBondContact O-CG 3.39Å; R234-E238 PolarHBondContact O-N 3.47Å; R234-I486 HydrophobicContact CB-CD1 4.08Å; R234-I486 HydrophobicContact CB-CG1 4.04Å; R234-I486 HydrophobicContact CB-CG2 3.72Å; R234-I486 HydrophobicContact CG-CG2 4.37Å
235	L	91.8	Very high	81.6	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-56.9	-40.9	174.6	-76.8	172	0	0	0	110.7	L231 F232 S239 I478 L483 F499 L502 W506	L231-L235 WeakPolarHBondContact O-CB 3.49Å; L231-L235 WeakPolarHBondContact O-CG 3.21Å; L231-L235 PolarHBondContact O-N 3.24Å; F232-L235 PolarHBondContact O-N 3.2Å; L235-S239 VanDerWaalsContact O-CB 3.29Å; L235-S239 WeakPolarHBondContact O-CB 3.19Å; L235-S239 PolarHBondContact O-N 3.23Å; L235-S239 VanDerWaalsContact O-N 3.14Å; L235-I478 HydrophobicContact CB-CD1 4.12Å; L235-I478 HydrophobicContact CD2-CD1 3.36Å; L235-I478 HydrophobicContact CG-CD1 4.35Å; L235-I478 WeakPolarHBondContact O-CD1 3.32Å; L235-L483 HydrophobicContact CD2-CD1 3.96Å; L235-F499 HydrophobicContact CD2-CE2 4.26Å; L235-F499 HydrophobicContact CD2-CZ 3.76Å; L235-L502 HydrophobicContact CD1-CD2 4.21Å; L235-W506 HydrophobicContact CB-CD2 4.06Å; L235-W506 HydrophobicContact CB-CG 4.19Å; L235-W506 HydrophobicContact CD1-CB 3.9Å; L235-W506 HydrophobicContact CD1-CD2 4.29Å; L235-W506 HydrophobicContact CD1-CG 3.95Å
236	E	89.6	Confident	79.1	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-72.3	-47.6	-177.5	-170.9	57.2	-160.1	0	0	112.4	F232 D233 R234 E238 S239 W506 R510 P517 L518 L519 L522	F232-E236 WeakPolarHBondContact O-CB 3.04Å; F232-E236 PolarHBondContact O-N 2.83Å; D233-E236 PolarHBondContact O-N 3.31Å; R234-E236 PolarHBondContact O-N 2.99Å; E236-E238 PolarHBondContact O-N 3.29Å; E236-S239 PolarHBondContact O-N 3.37Å; E236-S239 PolarHBondContact O-OG 2.8Å; E236-W506 PolarHBondContact OE2-NE1 2.94Å; E236-R510 IonicContact OE1-CZ 3.18Å; E236-R510 IonicContact OE1-NH1 3.94Å; E236-R510 PolarHBondContact OE1-NH1 2.91Å; E236-R510 WeakPolarHBondContact OE2-CD 3.32Å; E236-R510 IonicContact OE2-CZ 2.68Å; E236-R510 IonicContact OE2-NH1 3.11Å; E236-R510 PolarHBondContact OE2-NH1 3.15Å; E236-P517 VanDerWaalsContact OE1-C 3.29Å; E236-P517 WeakPolarHBondContact OE1-CA 3.29Å; E236-P517 WeakPolarHBondContact OE1-CB 3.13Å; E236-L518 VanDerWaalsContact CD-N 3.33Å; E236-L518 HydrophobicContact CG-CB 4.23Å; E236-L518 PolarHBondContact OE1-N 3.45Å; E236-L519 HydrophobicContact CB-CD1 4.2Å; E236-L519 HydrophobicContact CB-CG 4.29Å; E236-L519 HydrophobicContact CG-CB 4.14Å; E236-L519 HydrophobicContact CG-CD1 3.92Å; E236-L519 HydrophobicContact CG-CG 3.7Å; E236-L522 HydrophobicContact CG-CD1 3.95Å
237	K	85.2	Confident	76.6	Confident	44 Å²	44	45.3 Å²	45.3	19%	0.191	25%	0.246	C	C	.	.	H	α-helix	trans	-66.1	-32.7	178.1	-73.5	175.2	177.2	166.9	0	113.6	E195 E197 D233 R234 L519	E195-K237 PolarHBondContact O-NZ 3.33Å; E197-K237 VanDerWaalsContact OE1-CE 3.25Å; E197-K237 WeakPolarHBondContact OE1-CE 3.05Å; E197-K237 IonicContact OE1-NZ 3.09Å; E197-K237 PolarHBondContact OE1-NZ 3.23Å; D233-K237 WeakPolarHBondContact O-CB 3.41Å; D233-K237 WeakPolarHBondContact O-CG 2.96Å; D233-K237 PolarHBondContact O-N 2.97Å; D233-K237 WeakPolarHBondContact OD1-CE 3.09Å; D233-K237 IonicContact OD1-NZ 2.94Å; D233-K237 PolarHBondContact OD1-NZ 2.88Å; D233-K237 WeakPolarHBondContact OD2-CD 3.45Å; D233-K237 IonicContact OD2-NZ 3.06Å; D233-K237 PolarHBondContact OD2-NZ 3.08Å; D233-K237 VanDerWaalsContact OD2-NZ 3.13Å; R234-K237 PolarHBondContact O-N 2.47Å; K237-L519 HydrophobicContact CD-CD1 4.32Å; K237-L519 HydrophobicContact CG-CD1 3.71Å
238	E	84.6	Confident	74.2	Confident	42 Å²	42	48.1 Å²	48.1	20%	0.196	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-3.6	179.1	-67.9	-80.3	-171.6	0	0	112.9	R234 E236 I478 R482 I486	R234-E238 VanDerWaalsContact O-CB 3.26Å; R234-E238 WeakPolarHBondContact O-CB 3.46Å; R234-E238 WeakPolarHBondContact O-CG 3.39Å; R234-E238 PolarHBondContact O-N 3.47Å; E236-E238 PolarHBondContact O-N 3.29Å; E238-I478 HydrophobicContact CB-CG2 4.29Å; E238-R482 IonicContact OE1-CZ 2.73Å; E238-R482 IonicContact OE1-NH1 3.02Å; E238-R482 PolarHBondContact OE1-NH1 2.64Å; E238-R482 WeakPolarHBondContact OE2-CD 3.3Å; E238-R482 WeakPolarHBondContact OE2-CG 3.43Å; E238-R482 IonicContact OE2-CZ 2.87Å; E238-R482 IonicContact OE2-NE 2.87Å; E238-R482 IonicContact OE2-NH1 3.33Å; E238-I486 HydrophobicContact CB-CD1 4.02Å; E238-I486 HydrophobicContact CG-CD1 3.98Å; E238-I486 HydrophobicContact CG-CG1 4.44Å
239	S	81.8	Confident	71.6	Confident	22 Å²	22	57 Å²	57	15%	0.154	30%	0.299	C	S	.	.			trans	-78.5	128.7	173.3	75.2	0	0	0	0	110.9	L235 E236 R510	L235-S239 VanDerWaalsContact O-CB 3.29Å; L235-S239 WeakPolarHBondContact O-CB 3.19Å; L235-S239 PolarHBondContact O-N 3.23Å; L235-S239 VanDerWaalsContact O-N 3.14Å; E236-S239 PolarHBondContact O-N 3.37Å; E236-S239 PolarHBondContact O-OG 2.8Å; S239-R510 PolarHBondContact OG-NH1 3.14Å
240	Y	70.7	Confident	69.2	Low	114 Å²	114	57.5 Å²	57.5	45%	0.447	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	157.4	169.4	65.3	-97.2	0	0	0	110.7	Q242 V477 P479	Y240-Q242 HydrophobicContact CE2-CB 4.25Å; Y240-V477 PolarHBondContact N-O 3.37Å; Y240-V477 VanDerWaalsContact N-O 3.12Å; Y240-V477 PolarHBondContact O-N 3.38Å; Y240-P479 HydrophobicContact CD1-CG 4.43Å; Y240-P479 HydrophobicContact CE1-CG 3.32Å; Y240-P479 WeakPolarHBondContact OH-CG 3.35Å
241	F	63.7	Low	67	Low	51 Å²	51	61.6 Å²	61.6	22%	0.224	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	118.5	172.7	-68	-74.5	0	0	0	109.4	S243 M277 P306 L474 P476	F241-S243 PolarHBondContact O-N 2.81Å; F241-M277 HydrophobicContact CB-CE 4.2Å; F241-M277 HydrophobicContact CD1-CE 3.52Å; F241-M277 HydrophobicContact CD2-CE 3.85Å; F241-M277 HydrophobicContact CE1-CE 3.66Å; F241-M277 HydrophobicContact CE2-CE 4Å; F241-M277 HydrophobicContact CG-CE 3.59Å; F241-M277 HydrophobicContact CZ-CE 3.9Å; F241-P306 HydrophobicContact CE1-CB 4.06Å; F241-P306 HydrophobicContact CZ-CB 3.77Å; F241-P306 HydrophobicContact CZ-CG 4.06Å; F241-L474 HydrophobicContact CB-CB 4.11Å; F241-L474 HydrophobicContact CB-CD1 3.92Å; F241-L474 HydrophobicContact CD1-CB 3.52Å; F241-L474 HydrophobicContact CE1-CB 4.3Å; F241-L474 WeakPolarHBondContact CE1-O 3.31Å; F241-L474 HydrophobicContact CG-CB 4.17Å; F241-P476 HydrophobicContact CD1-CB 4.49Å; F241-P476 HydrophobicContact CE1-CB 4.25Å; F241-P476 HydrophobicContact CE1-CG 4.43Å
242	Q	56.6	Low	64.9	Low	125 Å²	125	65.7 Å²	65.7	58%	0.584	37%	0.367	S	S	*	.			trans	-79.9	109.6	168.9	-171.6	173.9	11.4	0	0	108.1	Y240 L474	Y240-Q242 HydrophobicContact CE2-CB 4.25Å; Q242-L474 WeakPolarHBondContact O-CD2 3.44Å
243	S	52	Low	63.2	Low	41 Å²	41	70.3 Å²	70.3	29%	0.287	39%	0.392	S	S	.	.			trans	-69.4	130.8	168.4	178.1	0	0	0	0	108.9	F241 N245	F241-S243 PolarHBondContact O-N 2.81Å; S243-N245 CarbonylContact C-O 3.55Å; S243-N245 WeakPolarHBondContact CB-O 3.36Å; S243-N245 CarbonylContact O-C 3.52Å; S243-N245 PolarHBondContact O-N 2.79Å; S243-N245 PolarHBondContact OG-O 3.07Å
244	P	47.7	Very low	61.9	Low	89 Å²	89	77.3 Å²	77.3	58%	0.578	43%	0.43	S	S	*	.	S	Bend	trans	-62.6	-28.4	179.4	21.7	-30.7	0	0	0	112.2	T472 L474	P244-T472 HydrophobicContact CG-CG2 3.61Å; P244-L474 HydrophobicContact CG-CD2 4.36Å
245	N	44.9	Very low	60.8	Low	101 Å²	101	83.2 Å²	83.2	54%	0.54	46%	0.463	S	S	.	.	S	Bend	trans	-92.7	108.8	160.9	-54.6	-17.1	0	0	0	103.9	S243	S243-N245 CarbonylContact C-O 3.55Å; S243-N245 WeakPolarHBondContact CB-O 3.36Å; S243-N245 CarbonylContact O-C 3.52Å; S243-N245 PolarHBondContact O-N 2.79Å; S243-N245 PolarHBondContact OG-O 3.07Å
246	G	43.7	Very low	60.2	Low	43 Å²	43	84.2 Å²	84.2	44%	0.443	47%	0.47	S	S	.	.			trans	-51.6	-175	-179.1	0	0	0	0	0	113.4	Q248	G246-Q248 VanDerWaalsContact C-N 3.29Å; G246-Q248 PolarHBondContact O-N 3.45Å
247	P	41.4	Very low	60.2	Low	125 Å²	125	87.1 Å²	87.1	81%	0.812	49%	0.488	S	S	*	.			trans	-57.2	97.9	174.8	9.6	-5.4	0	0	0	108.4	E249	P247-E249 HydrophobicContact CB-CG 4.39Å; P247-E249 PolarHBondContact O-N 3.43Å
248	Q	43.6	Very low	60.5	Low	99 Å²	99	85 Å²	85	46%	0.463	48%	0.479	S	S	.	.			trans	-78.4	70.4	175.2	-78.5	-162.2	-17.2	0	0	106	G246 G250 L251	G246-Q248 VanDerWaalsContact C-N 3.29Å; G246-Q248 PolarHBondContact O-N 3.45Å; Q248-G250 PolarHBondContact O-N 3.46Å; Q248-L251 PolarHBondContact OE1-O 3.18Å
249	E	42.8	Very low	60.8	Low	188 Å²	188	85.5 Å²	85.5	88%	0.879	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	12.7	170.8	-73.4	-171	149.2	0	0	112.5	P247	P247-E249 HydrophobicContact CB-CG 4.39Å; P247-E249 PolarHBondContact O-N 3.43Å
250	G	45.7	Very low	61.3	Low	64 Å²	64	84.7 Å²	84.7	66%	0.66	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-148.2	1.3	-174.1	0	0	0	0	0	118	Q248	Q248-G250 PolarHBondContact O-N 3.46Å
251	L	48	Very low	62.2	Low	125 Å²	125	80.5 Å²	80.5	65%	0.654	47%	0.468	S	S	*	.			trans	-136.6	60.4	178.3	-64.3	173.9	0	0	0	110.1	Q248 D253	Q248-L251 PolarHBondContact OE1-O 3.18Å; L251-D253 PolarHBondContact O-N 3.03Å
252	V	51.1	Low	63.4	Low	89 Å²	89	81.4 Å²	81.4	54%	0.539	48%	0.475	S	S	.	.			trans	-64.2	116.4	157.3	-174.6	0	0	0	0	104.7	D254 F274	V252-D254 PolarHBondContact O-N 3.35Å; V252-F274 HydrophobicContact CG1-CD2 4.47Å; V252-F274 HydrophobicContact CG1-CE1 4.43Å; V252-F274 HydrophobicContact CG1-CE2 3.83Å; V252-F274 HydrophobicContact CG1-CZ 3.79Å
253	D	59	Low	64.7	Low	97 Å²	97	78 Å²	78	52%	0.519	46%	0.461	S	S	.	.			trans	-62.4	104	172.3	178.1	9.7	0	0	0	107.3	L251 D255 A256	L251-D253 PolarHBondContact O-N 3.03Å; D253-D255 PolarHBondContact O-N 3.47Å; D253-D255 VanDerWaalsContact O-N 3.13Å; D253-D255 WeakPolarHBondContact OD1-CB 3.42Å; D253-D255 PolarHBondContact OD1-N 3.29Å; D253-D255 VanDerWaalsContact OD1-N 3.07Å; D253-A256 HydrophobicContact CB-CB 4.14Å; D253-A256 WeakPolarHBondContact O-CB 3.37Å; D253-A256 PolarHBondContact O-N 2.96Å
254	D	64.1	Low	66.3	Low	148 Å²	148	77.9 Å²	77.9	79%	0.791	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-18.5	-180	-76.8	-34.9	0	0	0	111.3	V252	V252-D254 PolarHBondContact O-N 3.35Å
255	D	67.8	Low	68	Low	140 Å²	140	79.6 Å²	79.6	75%	0.749	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	8.1	176.2	-64.9	-37.2	0	0	0	113.3	D253 V257	D253-D255 PolarHBondContact O-N 3.47Å; D253-D255 VanDerWaalsContact O-N 3.13Å; D253-D255 WeakPolarHBondContact OD1-CB 3.42Å; D253-D255 PolarHBondContact OD1-N 3.29Å; D253-D255 VanDerWaalsContact OD1-N 3.07Å; D255-V257 PolarHBondContact O-N 3.34Å; D255-V257 VanDerWaalsContact O-N 3.1Å
256	A	80.2	Confident	69.4	Low	20 Å²	20	78.5 Å²	78.5	17%	0.165	47%	0.466	C	S	.	.			trans	-68.2	110.4	-179.2	0	0	0	0	0	112.3	D253 F274 A281	D253-A256 HydrophobicContact CB-CB 4.14Å; D253-A256 WeakPolarHBondContact O-CB 3.37Å; D253-A256 PolarHBondContact O-N 2.96Å; A256-F274 HydrophobicContact CB-CE1 3.59Å; A256-F274 HydrophobicContact CB-CZ 3.72Å; A256-A281 HydrophobicContact CB-CB 4.37Å
257	V	89	Confident	70.8	Confident	62 Å²	62	78.7 Å²	78.7	38%	0.376	46%	0.455	S	S	.	.			trans	-85.2	151.8	176.5	-61.4	0	0	0	0	112.7	D255 C259	D255-V257 PolarHBondContact O-N 3.34Å; D255-V257 VanDerWaalsContact O-N 3.1Å; V257-C259 PolarHBondContact O-N 3.5Å
258	C	92.5	Very high	72.3	Confident	0 Å²	0	80.7 Å²	80.7	0%	0	46%	0.459	C	S	.	.			trans	-64.9	121.5	173.5	168.4	0	0	0	0	111	V260 C261 N262 D263 H283	C258-V260 PolarHBondContact O-N 3.24Å; C258-V260 VanDerWaalsContact O-N 3.07Å; C258-C261 VanDerWaalsContact CB-SG 3.51Å; C258-C261 PolarHBondContact O-N 3.1Å; C258-C261 PolarHBondContact SG-SG 3.32Å; C258-N262 WeakPolarHBondContact O-CA 3.04Å; C258-N262 PolarHBondContact O-N 3.39Å; C258-D263 WeakPolarHBondContact CB-O 3.33Å; C258-D263 PolarHBondContact N-O 2.77Å; C258-H283 VanDerWaalsContact CB-CE1 3.48Å; C258-H283 WeakPolarHBondContact CB-CE1 3.32Å; C258-H283 WeakPolarHBondContact CB-ND1 3.27Å; C258-H283 PolarHBondContact SG-N 2.98Å; C258-H283 PolarHBondContact SG-ND1 2.81Å; C258-H283 VanDerWaalsContact SG-ND1 3.4Å
259	C	90.5	Very high	73.8	Confident	53 Å²	53	79.2 Å²	79.2	36%	0.358	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-7.6	-177	66.4	0	0	0	0	115.4	V257 L280 A281	V257-C259 PolarHBondContact O-N 3.5Å; C259-L280 VanDerWaalsContact SG-CD1 3.52Å; C259-A281 PolarHBondContact N-O 3.41Å; C259-A281 PolarHBondContact SG-O 2.85Å; C259-A281 VanDerWaalsContact SG-O 3.35Å
260	V	92.5	Very high	75.9	Confident	4 Å²	4	70.6 Å²	70.6	2%	0.024	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-43.2	177.8	177.7	0	0	0	0	111.5	C258 V282 C286 A321 V333 L337	C258-V260 PolarHBondContact O-N 3.24Å; C258-V260 VanDerWaalsContact O-N 3.07Å; V260-V282 HydrophobicContact CG2-CG1 4.04Å; V260-C286 HydrophobicContact CB-CB 3.94Å; V260-C286 HydrophobicContact CG1-CB 4.01Å; V260-C286 HydrophobicContact CG2-CB 4.45Å; V260-A321 HydrophobicContact CG2-CB 3.5Å; V260-V333 HydrophobicContact CG1-CG1 4.24Å; V260-V333 HydrophobicContact CG2-CB 4.3Å; V260-V333 HydrophobicContact CG2-CG1 4.49Å; V260-L337 HydrophobicContact CG1-CD1 3.73Å
261	C	90.2	Very high	77.9	Confident	27 Å²	27	69.8 Å²	69.8	18%	0.182	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-9.7	-178	62.6	0	0	0	0	114.3	C258 D263 H283 F800	C258-C261 VanDerWaalsContact CB-SG 3.51Å; C258-C261 PolarHBondContact O-N 3.1Å; C258-C261 PolarHBondContact SG-SG 3.32Å; C261-D263 HydrophobicContact CB-CB 4.47Å; C261-D263 PolarHBondContact O-N 2.9Å; C261-D263 VanDerWaalsContact SG-CB 3.59Å; C261-H283 VanDerWaalsContact SG-CE1 3.56Å; C261-H283 PolarHBondContact SG-ND1 3.25Å; C261-F800 HydrophobicContact CB-CD2 4.4Å; C261-F800 HydrophobicContact CB-CE2 3.51Å; C261-F800 HydrophobicContact CB-CZ 3.69Å
262	N	87.4	Confident	79.8	Confident	69 Å²	69	65.4 Å²	65.4	37%	0.369	38%	0.376	S	S	.	.			trans	58.9	27	-174.1	-151.7	48.4	0	0	0	114.1	C258 N400	C258-N262 WeakPolarHBondContact O-CA 3.04Å; C258-N262 PolarHBondContact O-N 3.39Å; N262-N400 PolarHBondContact ND2-OD1 3.28Å
263	D	85.3	Confident	81.7	Confident	53 Å²	53	61.9 Å²	61.9	28%	0.283	35%	0.354	S	S	.	.			trans	-111.5	141.3	-179.4	-166.5	-3.6	0	0	0	110.3	C258 C261 E265 H283	C258-D263 WeakPolarHBondContact CB-O 3.33Å; C258-D263 PolarHBondContact N-O 2.77Å; C261-D263 HydrophobicContact CB-CB 4.47Å; C261-D263 PolarHBondContact O-N 2.9Å; C261-D263 VanDerWaalsContact SG-CB 3.59Å; D263-E265 PolarHBondContact OD1-N 2.87Å; D263-H283 PolarHBondContact O-CE1 2.86Å; D263-H283 VanDerWaalsContact O-CE1 3.25Å
264	G	84.8	Confident	83.1	Confident	39 Å²	39	60 Å²	60	40%	0.402	34%	0.341	S	S	.	.			trans	-101.9	-9.3	176.9	0	0	0	0	0	113.4	C266	G264-C266 PolarHBondContact O-N 3.36Å
265	E	82.5	Confident	84.1	Confident	126 Å²	126	53 Å²	53	59%	0.589	30%	0.304	S	S	*	.			trans	-68.1	132.2	-179.5	-66.3	-169.3	172	0	0	111.2	D263 H283	D263-E265 PolarHBondContact OD1-N 2.87Å; E265-H283 PolarHBondContact O-NE2 3.28Å
266	C	74.3	Confident	84.6	Confident	78 Å²	78	50.7 Å²	50.7	53%	0.527	29%	0.291	S	S	.	.			trans	-116.5	127.8	176.8	59.3	0	0	0	0	111	G264	G264-C266 PolarHBondContact O-N 3.36Å
267	E	73.6	Confident	84.2	Confident	46 Å²	46	50.6 Å²	50.6	22%	0.215	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-93.1	156.3	165.4	-74.4	-175.4	-152	0	0	109.7	T269 N270 S797 S798 K801	E267-T269 PolarHBondContact O-N 2.58Å; E267-N270 CarbonylContact O-C 3.42Å; E267-N270 PolarHBondContact O-N 3.22Å; E267-S797 WeakPolarHBondContact OE1-CA 3.41Å; E267-S798 PolarHBondContact OE1-N 2.6Å; E267-K801 WeakPolarHBondContact OE2-CD 3.34Å; E267-K801 IonicContact OE2-NZ 2.89Å; E267-K801 PolarHBondContact OE2-NZ 3.38Å
268	N	72.8	Confident	83.7	Confident	168 Å²	168	49.1 Å²	49.1	90%	0.898	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-18.9	175.9	-64.7	17.5	0	0	0	114.3
269	T	75.3	Confident	83.4	Confident	68 Å²	68	53.8 Å²	53.8	42%	0.417	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-12.8	178.7	61.7	0	0	0	0	114	E267 Q284 K801	E267-T269 PolarHBondContact O-N 2.58Å; T269-Q284 PolarHBondContact O-OE1 2.74Å; T269-K801 PolarHBondContact OG1-NZ 3.28Å
270	N	86.4	Confident	83.3	Confident	6 Å²	6	52 Å²	52	3%	0.032	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-134.4	67.5	-175.6	-170.4	28.6	0	0	0	109.1	E267 H283 Q284 E285	E267-N270 CarbonylContact O-C 3.42Å; E267-N270 PolarHBondContact O-N 3.22Å; N270-H283 PolarHBondContact O-CD2 3.01Å; N270-H283 WeakPolarHBondContact OD1-CB 3.32Å; N270-Q284 PolarHBondContact OD1-N 2.96Å; N270-E285 HydrophobicContact CB-CG 4.22Å; N270-E285 VanDerWaalsContact OD1-CB 3.26Å; N270-E285 WeakPolarHBondContact OD1-CB 3.46Å; N270-E285 WeakPolarHBondContact OD1-CG 3.42Å; N270-E285 PolarHBondContact OD1-N 2.77Å
271	V	88.5	Confident	83.3	Confident	48 Å²	48	52.4 Å²	52.4	29%	0.291	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-74.8	156.4	-177.7	-61.4	0	0	0	0	111.4	L273 H283 Q284 I292	V271-L273 HydrophobicContact CG2-CD2 3.89Å; V271-H283 CarbonylContact O-C 3.58Å; V271-H283 WeakPolarHBondContact O-CA 3.38Å; V271-Q284 PolarHBondContact O-N 3.32Å; V271-I292 HydrophobicContact CG2-CD1 3.45Å; V271-I292 VanDerWaalsContact CG2-CD1 3.45Å
272	I	88.6	Confident	83.4	Confident	33 Å²	33	51.1 Å²	51.1	17%	0.169	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	123.6	170.2	-62.5	177.9	0	0	0	108.6	F274 A281 H283	I272-F274 HydrophobicContact CG2-CE2 3.98Å; I272-F274 HydrophobicContact CG2-CZ 4.08Å; I272-A281 HydrophobicContact CG2-CB 4.14Å; I272-H283 WeakPolarHBondContact CG1-CD2 3.37Å; I272-H283 WeakPolarHBondContact CG1-NE2 3.41Å
273	L	89.6	Confident	83.6	Confident	15 Å²	15	48.1 Å²	48.1	8%	0.079	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	138.9	176	-57.2	178.1	0	0	0	109.6	V271 A281 V282 Q284 V289 I292 W297	V271-L273 HydrophobicContact CG2-CD2 3.89Å; L273-A281 WeakPolarHBondContact O-CA 3.49Å; L273-V282 PolarHBondContact N-O 3.41Å; L273-V282 PolarHBondContact O-N 2.93Å; L273-Q284 HydrophobicContact CD1-CB 4.15Å; L273-Q284 HydrophobicContact CD1-CG 4.4Å; L273-Q284 HydrophobicContact CG-CB 4.41Å; L273-V289 HydrophobicContact CD1-CB 4.08Å; L273-V289 HydrophobicContact CD1-CG1 3.98Å; L273-V289 HydrophobicContact CD1-CG2 4.04Å; L273-I292 HydrophobicContact CD2-CD1 3.94Å; L273-I292 HydrophobicContact CD2-CG1 4.03Å; L273-I292 HydrophobicContact CD2-CG2 4.12Å; L273-W297 HydrophobicContact CB-CD2 4.2Å; L273-W297 HydrophobicContact CB-CE3 3.8Å; L273-W297 HydrophobicContact CB-CH2 4.25Å; L273-W297 HydrophobicContact CB-CZ3 3.81Å; L273-W297 HydrophobicContact CD1-CD2 4.28Å; L273-W297 HydrophobicContact CD1-CZ2 4.34Å
274	F	88.2	Confident	83.8	Confident	57 Å²	57	46.9 Å²	46.9	25%	0.25	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	125.4	173.5	-65.9	-91.3	0	0	0	109.3	V252 A256 I272 D276 N279 L280 A281 W297	V252-F274 HydrophobicContact CG1-CD2 4.47Å; V252-F274 HydrophobicContact CG1-CE1 4.43Å; V252-F274 HydrophobicContact CG1-CE2 3.83Å; V252-F274 HydrophobicContact CG1-CZ 3.79Å; A256-F274 HydrophobicContact CB-CE1 3.59Å; A256-F274 HydrophobicContact CB-CZ 3.72Å; I272-F274 HydrophobicContact CG2-CE2 3.98Å; I272-F274 HydrophobicContact CG2-CZ 4.08Å; F274-D276 PolarHBondContact O-N 3.14Å; F274-N279 WeakPolarHBondContact CD1-OD1 3.45Å; F274-L280 WeakPolarHBondContact CA-O 3.17Å; F274-A281 HydrophobicContact CD1-CB 4.01Å; F274-A281 HydrophobicContact CE1-CB 3.76Å; F274-A281 HydrophobicContact CZ-CB 4.44Å; F274-W297 VanDerWaalsContact C-CE3 3.49Å
275	C	86.2	Confident	84	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.253	C	S	.	.			trans	-69.3	118.5	175.5	173.5	0	0	0	0	109	M277 C278 N279 L280 W297 C299 C302	C275-M277 PolarHBondContact O-N 3.36Å; C275-C278 PolarHBondContact O-N 2.93Å; C275-C278 PolarHBondContact SG-SG 3.42Å; C275-N279 WeakPolarHBondContact O-CA 3.35Å; C275-N279 PolarHBondContact O-N 3.43Å; C275-L280 HydrophobicContact CB-CB 3.82Å; C275-L280 PolarHBondContact N-O 3.48Å; C275-W297 WeakPolarHBondContact CA-O 3.38Å; C275-W297 HydrophobicContact CB-CE3 4.1Å; C275-W297 HydrophobicContact CB-CZ3 3.74Å; C275-W297 VanDerWaalsContact N-CZ3 3.31Å; C275-C299 HydrophobicContact CB-CB 4.14Å; C275-C299 PolarHBondContact SG-N 2.87Å; C275-C302 VanDerWaalsContact SG-SG 3.68Å
276	D	77.7	Confident	84.5	Confident	92 Å²	92	41 Å²	41	49%	0.492	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-18.3	-175	-66.1	-64.1	0	0	0	113.7	F274 Q296 W297 L298	F274-D276 PolarHBondContact O-N 3.14Å; D276-Q296 HydrophobicContact CB-CB 4.44Å; D276-Q296 HydrophobicContact CB-CG 4.36Å; D276-Q296 VanDerWaalsContact OD2-C 3.31Å; D276-Q296 WeakPolarHBondContact OD2-CA 3.5Å; D276-Q296 VanDerWaalsContact OD2-CB 3.32Å; D276-Q296 WeakPolarHBondContact OD2-CB 3.44Å; D276-W297 PolarHBondContact N-O 3.06Å; D276-W297 PolarHBondContact OD2-N 3.43Å; D276-L298 HydrophobicContact CB-CD2 3.97Å
277	M	72.1	Confident	85.5	Confident	18 Å²	18	37.5 Å²	37.5	9%	0.089	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-38.8	-178.5	-172	-179.2	-171.6	0	0	114.2	F241 C275 L298 C302 P306 L474	F241-M277 HydrophobicContact CB-CE 4.2Å; F241-M277 HydrophobicContact CD1-CE 3.52Å; F241-M277 HydrophobicContact CD2-CE 3.85Å; F241-M277 HydrophobicContact CE1-CE 3.66Å; F241-M277 HydrophobicContact CE2-CE 4Å; F241-M277 HydrophobicContact CG-CE 3.59Å; F241-M277 HydrophobicContact CZ-CE 3.9Å; C275-M277 PolarHBondContact O-N 3.36Å; M277-L298 HydrophobicContact CB-CD1 4.26Å; M277-L298 HydrophobicContact CB-CD2 3.6Å; M277-L298 HydrophobicContact SD-CD1 4.23Å; M277-C302 HydrophobicContact CB-CB 4.04Å; M277-C302 HydrophobicContact CG-CB 4.28Å; M277-C302 HydrophobicContact SD-CB 3.6Å; M277-C302 VanDerWaalsContact SD-CB 3.6Å; M277-P306 HydrophobicContact CE-CB 3.46Å; M277-P306 VanDerWaalsContact CE-CB 3.46Å; M277-P306 HydrophobicContact SD-CB 3.94Å; M277-L474 HydrophobicContact CE-CB 3.57Å; M277-L474 HydrophobicContact CE-CD1 3.67Å; M277-L474 HydrophobicContact CE-CG 3.83Å; M277-L474 HydrophobicContact CG-CD1 3.64Å; M277-L474 HydrophobicContact CG-CG 4.48Å
278	C	79.4	Confident	86.3	Confident	32 Å²	32	35.5 Å²	35.5	22%	0.216	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122	6.4	-175.8	70.5	0	0	0	0	114.4	C275 L280 C299 R301 C302	C275-C278 PolarHBondContact O-N 2.93Å; C275-C278 PolarHBondContact SG-SG 3.42Å; C278-L280 PolarHBondContact O-N 2.93Å; C278-L280 VanDerWaalsContact O-N 3.14Å; C278-C299 VanDerWaalsContact SG-SG 3.64Å; C278-R301 PolarHBondContact SG-NH2 3.19Å; C278-C302 VanDerWaalsContact CB-SG 3.57Å; C278-C302 PolarHBondContact SG-SG 2.91Å
279	N	85.2	Confident	87.1	Confident	98 Å²	98	28.3 Å²	28.3	52%	0.524	16%	0.155	S	C	.	.			trans	52.3	30.5	-177.3	-155.1	31	0	0	0	114.4	F274 C275 A281	F274-N279 WeakPolarHBondContact CD1-OD1 3.45Å; C275-N279 WeakPolarHBondContact O-CA 3.35Å; C275-N279 PolarHBondContact O-N 3.43Å; N279-A281 PolarHBondContact O-N 3.03Å
280	L	88.9	Confident	87.3	Confident	15 Å²	15	28 Å²	28	8%	0.079	15%	0.154	C	C	.	.			trans	-66.7	116	175.5	176.8	75.8	0	0	0	109.7	C259 F274 C275 C278 V282 C299 A321	C259-L280 VanDerWaalsContact SG-CD1 3.52Å; F274-L280 WeakPolarHBondContact CA-O 3.17Å; C275-L280 HydrophobicContact CB-CB 3.82Å; C275-L280 PolarHBondContact N-O 3.48Å; C278-L280 PolarHBondContact O-N 2.93Å; C278-L280 VanDerWaalsContact O-N 3.14Å; L280-V282 HydrophobicContact CD2-CG1 4.17Å; L280-V282 HydrophobicContact CG-CG1 4.1Å; L280-C299 HydrophobicContact CD2-CB 3.64Å; L280-A321 HydrophobicContact CD1-CB 4.42Å; L280-A321 HydrophobicContact CD2-CB 4.2Å
281	A	91.9	Very high	87	Confident	13 Å²	13	34.2 Å²	34.2	11%	0.107	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	120.7	173.5	0	0	0	0	0	111.5	A256 C259 I272 L273 F274 N279	A256-A281 HydrophobicContact CB-CB 4.37Å; C259-A281 PolarHBondContact N-O 3.41Å; C259-A281 PolarHBondContact SG-O 2.85Å; C259-A281 VanDerWaalsContact SG-O 3.35Å; I272-A281 HydrophobicContact CG2-CB 4.14Å; L273-A281 WeakPolarHBondContact O-CA 3.49Å; F274-A281 HydrophobicContact CD1-CB 4.01Å; F274-A281 HydrophobicContact CE1-CB 3.76Å; F274-A281 HydrophobicContact CZ-CB 4.44Å; N279-A281 PolarHBondContact O-N 3.03Å
282	V	93.2	Very high	86.4	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	144.4	175.1	-71	0	0	0	0	110.9	V260 L273 L280 Y287 W297 A321	V260-V282 HydrophobicContact CG2-CG1 4.04Å; L273-V282 PolarHBondContact N-O 3.41Å; L273-V282 PolarHBondContact O-N 2.93Å; L280-V282 HydrophobicContact CD2-CG1 4.17Å; L280-V282 HydrophobicContact CG-CG1 4.1Å; V282-Y287 HydrophobicContact CG1-CD2 4.26Å; V282-Y287 HydrophobicContact CG2-CD2 4.31Å; V282-Y287 HydrophobicContact CG2-CG 3.94Å; V282-W297 HydrophobicContact CG2-CH2 3.41Å; V282-W297 VanDerWaalsContact CG2-CH2 3.41Å; V282-W297 HydrophobicContact CG2-CZ2 4.18Å; V282-W297 HydrophobicContact CG2-CZ3 4.1Å; V282-A321 HydrophobicContact CG1-CB 3.71Å
283	H	92	Very high	85.4	Confident	5 Å²	5	35 Å²	35	2%	0.023	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	145.1	164.7	-67.4	112.8	0	0	0	111.1	C258 C261 D263 E265 N270 V271 I272 E285 C286 Y287	C258-H283 VanDerWaalsContact CB-CE1 3.48Å; C258-H283 WeakPolarHBondContact CB-CE1 3.32Å; C258-H283 WeakPolarHBondContact CB-ND1 3.27Å; C258-H283 PolarHBondContact SG-N 2.98Å; C258-H283 PolarHBondContact SG-ND1 2.81Å; C258-H283 VanDerWaalsContact SG-ND1 3.4Å; C261-H283 VanDerWaalsContact SG-CE1 3.56Å; C261-H283 PolarHBondContact SG-ND1 3.25Å; D263-H283 PolarHBondContact O-CE1 2.86Å; D263-H283 VanDerWaalsContact O-CE1 3.25Å; E265-H283 PolarHBondContact O-NE2 3.28Å; N270-H283 PolarHBondContact O-CD2 3.01Å; N270-H283 WeakPolarHBondContact OD1-CB 3.32Å; V271-H283 CarbonylContact O-C 3.58Å; V271-H283 WeakPolarHBondContact O-CA 3.38Å; I272-H283 WeakPolarHBondContact CG1-CD2 3.37Å; I272-H283 WeakPolarHBondContact CG1-NE2 3.41Å; H283-E285 VanDerWaalsContact C-N 3.32Å; H283-E285 PolarHBondContact O-N 3.05Å; H283-C286 HydrophobicContact CB-CB 3.86Å; H283-C286 PolarHBondContact O-N 3.38Å; H283-C286 VanDerWaalsContact O-N 3.15Å; H283-Y287 PolarHBondContact O-N 2.71Å; H283-Y287 VanDerWaalsContact O-N 3.08Å
284	Q	88.9	Confident	83.9	Confident	27 Å²	27	37 Å²	37	13%	0.126	19%	0.191	C	C	.	.	H	α-helix	trans	-47.7	-52.6	176.2	-179.9	-177.6	-9.4	0	0	111.9	T269 N270 V271 L273 G288 V289 P290 I292	T269-Q284 PolarHBondContact O-OE1 2.74Å; N270-Q284 PolarHBondContact OD1-N 2.96Å; V271-Q284 PolarHBondContact O-N 3.32Å; L273-Q284 HydrophobicContact CD1-CB 4.15Å; L273-Q284 HydrophobicContact CD1-CG 4.4Å; L273-Q284 HydrophobicContact CG-CB 4.41Å; Q284-G288 PolarHBondContact O-N 3.49Å; Q284-V289 HydrophobicContact CG-CB 3.94Å; Q284-V289 HydrophobicContact CG-CG1 4.31Å; Q284-V289 WeakPolarHBondContact CG-O 3.44Å; Q284-V289 PolarHBondContact NE2-O 3.32Å; Q284-V289 PolarHBondContact O-N 3.43Å; Q284-P290 PolarHBondContact NE2-O 2.82Å; Q284-I292 HydrophobicContact CG-CG1 4.43Å
285	E	89.9	Confident	82.6	Confident	39 Å²	39	35.8 Å²	35.8	18%	0.182	19%	0.194	C	C	.	.	H	α-helix	trans	-72.4	-37.3	179.9	-67.4	178.8	-174.9	0	0	112.2	N270 H283 Y287 G288 K801 L804	N270-E285 HydrophobicContact CB-CG 4.22Å; N270-E285 VanDerWaalsContact OD1-CB 3.26Å; N270-E285 WeakPolarHBondContact OD1-CB 3.46Å; N270-E285 WeakPolarHBondContact OD1-CG 3.42Å; N270-E285 PolarHBondContact OD1-N 2.77Å; H283-E285 VanDerWaalsContact C-N 3.32Å; H283-E285 PolarHBondContact O-N 3.05Å; E285-Y287 PolarHBondContact O-N 3.05Å; E285-G288 PolarHBondContact O-N 3Å; E285-K801 WeakPolarHBondContact OE2-CA 3.5Å; E285-L804 HydrophobicContact CB-CD1 3.98Å
286	C	92.5	Very high	81.6	Confident	2 Å²	2	40.3 Å²	40.3	1%	0.014	22%	0.215	C	C	.	.	H	α-helix	trans	-65.1	-23.4	-179.9	-68.1	0	0	0	0	113.2	V260 H283 V333 L350	V260-C286 HydrophobicContact CB-CB 3.94Å; V260-C286 HydrophobicContact CG1-CB 4.01Å; V260-C286 HydrophobicContact CG2-CB 4.45Å; H283-C286 HydrophobicContact CB-CB 3.86Å; H283-C286 PolarHBondContact O-N 3.38Å; H283-C286 VanDerWaalsContact O-N 3.15Å; C286-V333 WeakPolarHBondContact O-CG1 3.19Å; C286-L350 WeakPolarHBondContact O-CD1 3.36Å
287	Y	94.6	Very high	81.7	Confident	5 Å²	5	37.1 Å²	37.1	2%	0.02	20%	0.196	C	C	.	.	H	α-helix	trans	-99.5	-7.7	174.1	-162.2	-109.3	0	0	0	113.8	V282 H283 E285 V289 W297 C299 K300 A321 M322 K323 V333	V282-Y287 HydrophobicContact CG1-CD2 4.26Å; V282-Y287 HydrophobicContact CG2-CD2 4.31Å; V282-Y287 HydrophobicContact CG2-CG 3.94Å; H283-Y287 PolarHBondContact O-N 2.71Å; H283-Y287 VanDerWaalsContact O-N 3.08Å; E285-Y287 PolarHBondContact O-N 3.05Å; Y287-V289 HydrophobicContact CD1-CG2 3.76Å; Y287-V289 HydrophobicContact CG-CG2 4.49Å; Y287-W297 HydrophobicContact CD1-CH2 4.22Å; Y287-W297 AromaticContact CD1-CZ2 3.61Å; Y287-W297 HydrophobicContact CD1-CZ2 3.61Å; Y287-W297 HydrophobicContact CE1-CH2 4.42Å; Y287-W297 AromaticContact CE1-CZ2 3.84Å; Y287-W297 HydrophobicContact CE1-CZ2 3.84Å; Y287-W297 HydrophobicContact CG-CZ2 4.39Å; Y287-C299 HydrophobicContact CE1-CB 4.41Å; Y287-K300 HydrophobicContact CE1-CG 4.36Å; Y287-K300 VanDerWaalsContact OH-CB 3.31Å; Y287-K300 WeakPolarHBondContact OH-CB 3.46Å; Y287-K300 WeakPolarHBondContact OH-CG 3.47Å; Y287-K300 PolarHBondContact OH-N 3.21Å; Y287-A321 HydrophobicContact CD2-CB 3.87Å; Y287-A321 HydrophobicContact CE2-CB 3.94Å; Y287-M322 PolarHBondContact OH-O 3.31Å; Y287-K323 HydrophobicContact CE1-CD 4.44Å; Y287-K323 VanDerWaalsContact CE1-CE 3.49Å; Y287-K323 HydrophobicContact CE2-CD 4.29Å; Y287-K323 VanDerWaalsContact CZ-CE 3.4Å; Y287-K323 WeakPolarHBondContact O-CE 3.33Å; Y287-K323 PolarHBondContact O-NZ 3.33Å; Y287-V333 HydrophobicContact CD2-CG2 4.15Å; Y287-V333 HydrophobicContact CE2-CG2 4.16Å
288	G	91.1	Very high	82.2	Confident	5 Å²	5	37 Å²	37	5%	0.052	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	51.4	-177.3	0	0	0	0	0	112.3	Q284 E285 P290 V348 F349	Q284-G288 PolarHBondContact O-N 3.49Å; E285-G288 PolarHBondContact O-N 3Å; G288-P290 WeakPolarHBondContact O-CD 3.36Å; G288-V348 CarbonylContact C-O 3.55Å; G288-V348 VanDerWaalsContact CA-O 3.31Å; G288-V348 WeakPolarHBondContact CA-O 3.45Å; G288-F349 WeakPolarHBondContact O-CA 3.31Å
289	V	88.7	Confident	82.7	Confident	17 Å²	17	35.6 Å²	35.6	10%	0.103	19%	0.186	C	C	.	.			trans	-104.2	97.6	177.3	180	0	0	0	0	109	L273 Q284 Y287 Y291 W297	L273-V289 HydrophobicContact CD1-CB 4.08Å; L273-V289 HydrophobicContact CD1-CG1 3.98Å; L273-V289 HydrophobicContact CD1-CG2 4.04Å; Q284-V289 HydrophobicContact CG-CB 3.94Å; Q284-V289 HydrophobicContact CG-CG1 4.31Å; Q284-V289 WeakPolarHBondContact CG-O 3.44Å; Q284-V289 PolarHBondContact NE2-O 3.32Å; Q284-V289 PolarHBondContact O-N 3.43Å; Y287-V289 HydrophobicContact CD1-CG2 3.76Å; Y287-V289 HydrophobicContact CG-CG2 4.49Å; V289-Y291 VanDerWaalsContact C-N 3.32Å; V289-Y291 WeakPolarHBondContact CG1-O 3.39Å; V289-Y291 PolarHBondContact O-N 3.12Å; V289-W297 HydrophobicContact CG2-CZ2 4.09Å
290	P	80.3	Confident	82.9	Confident	61 Å²	61	33.8 Å²	33.8	40%	0.396	17%	0.173	S	C	.	.	S	Bend	trans	-70.4	-31.1	-171.7	-23.3	38.2	0	0	0	113	Q284 G288 V348 F349	Q284-P290 PolarHBondContact NE2-O 2.82Å; G288-P290 WeakPolarHBondContact O-CD 3.36Å; P290-V348 HydrophobicContact CB-CG1 4.18Å; P290-V348 HydrophobicContact CG-CG1 3.69Å; P290-F349 HydrophobicContact CG-CD1 3.72Å; P290-F349 HydrophobicContact CG-CD2 4.44Å; P290-F349 HydrophobicContact CG-CE1 3.55Å; P290-F349 HydrophobicContact CG-CE2 4.31Å; P290-F349 HydrophobicContact CG-CG 4.19Å; P290-F349 HydrophobicContact CG-CZ 3.88Å
291	Y	80.6	Confident	82.9	Confident	137 Å²	137	35.1 Å²	35.1	54%	0.537	18%	0.177	S	C	.	.	S	Bend	trans	-135.3	138.9	173.5	70.9	-89.1	0	0	0	109.4	V289 P293	V289-Y291 VanDerWaalsContact C-N 3.32Å; V289-Y291 WeakPolarHBondContact CG1-O 3.39Å; V289-Y291 PolarHBondContact O-N 3.12Å; Y291-P293 HydrophobicContact CE2-CB 4.25Å; Y291-P293 WeakPolarHBondContact O-CD 3.37Å
292	I	75.4	Confident	82.6	Confident	79 Å²	79	35 Å²	35	41%	0.405	18%	0.175	S	C	.	.			trans	-77.3	119.8	172	-54	172.1	0	0	0	106.7	V271 L273 Q284	V271-I292 HydrophobicContact CG2-CD1 3.45Å; V271-I292 VanDerWaalsContact CG2-CD1 3.45Å; L273-I292 HydrophobicContact CD2-CD1 3.94Å; L273-I292 HydrophobicContact CD2-CG1 4.03Å; L273-I292 HydrophobicContact CD2-CG2 4.12Å; Q284-I292 HydrophobicContact CG-CG1 4.43Å
293	P	66.4	Low	82.1	Confident	17 Å²	17	37.7 Å²	37.7	11%	0.11	19%	0.19	C	C	.	.			trans	-65.9	153	177.1	27.9	-33.3	0	0	0	110.9	Y291 G295 W297 Q527	Y291-P293 HydrophobicContact CE2-CB 4.25Å; Y291-P293 WeakPolarHBondContact O-CD 3.37Å; P293-G295 PolarHBondContact O-N 3.12Å; P293-W297 HydrophobicContact CG-CB 4.3Å; P293-Q527 HydrophobicContact CB-CB 4.22Å; P293-Q527 HydrophobicContact CB-CG 4.06Å
294	E	58	Low	81.7	Confident	59 Å²	59	40.6 Å²	40.6	28%	0.276	21%	0.205	S	C	.	.	S	Bend	trans	-81.4	113.1	175.2	-63.5	-169.7	151.6	0	0	110.2	Q527 Q543	E294-Q527 CarbonylContact O-C 3.47Å; E294-Q543 VanDerWaalsContact CD-NE2 3.33Å; E294-Q543 PolarHBondContact OE1-NE2 3.25Å; E294-Q543 PolarHBondContact OE2-NE2 2.82Å; E294-Q543 PolarHBondContact OE2-OE1 3.01Å
295	G	62.2	Low	81.5	Confident	31 Å²	31	39.6 Å²	39.6	32%	0.32	20%	0.201	S	C	.	.	S	Bend	trans	113.9	-139.7	-176.4	0	0	0	0	0	111.4	P293	P293-G295 PolarHBondContact O-N 3.12Å
296	Q	65.6	Low	81	Confident	95 Å²	95	38.2 Å²	38.2	44%	0.444	20%	0.195	S	C	.	.			trans	-78.2	134.5	-175	-71.9	-179.8	-14.3	0	0	111	D276 Q526	D276-Q296 HydrophobicContact CB-CB 4.44Å; D276-Q296 HydrophobicContact CB-CG 4.36Å; D276-Q296 VanDerWaalsContact OD2-C 3.31Å; D276-Q296 WeakPolarHBondContact OD2-CA 3.5Å; D276-Q296 VanDerWaalsContact OD2-CB 3.32Å; D276-Q296 WeakPolarHBondContact OD2-CB 3.44Å; Q296-Q526 HydrophobicContact CB-CB 4.32Å; Q296-Q526 PolarHBondContact N-O 3.34Å; Q296-Q526 VanDerWaalsContact O-O 3.05Å
297	W	79.3	Confident	80.1	Confident	25 Å²	25	39.5 Å²	39.5	10%	0.095	21%	0.205	C	C	.	.			trans	-108.2	118.7	171.4	179.5	76.4	0	0	0	110.1	L273 F274 C275 D276 V282 Y287 V289 P293 C299	L273-W297 HydrophobicContact CB-CD2 4.2Å; L273-W297 HydrophobicContact CB-CE3 3.8Å; L273-W297 HydrophobicContact CB-CH2 4.25Å; L273-W297 HydrophobicContact CB-CZ3 3.81Å; L273-W297 HydrophobicContact CD1-CD2 4.28Å; L273-W297 HydrophobicContact CD1-CZ2 4.34Å; F274-W297 VanDerWaalsContact C-CE3 3.49Å; C275-W297 WeakPolarHBondContact CA-O 3.38Å; C275-W297 HydrophobicContact CB-CE3 4.1Å; C275-W297 HydrophobicContact CB-CZ3 3.74Å; C275-W297 VanDerWaalsContact N-CZ3 3.31Å; D276-W297 PolarHBondContact N-O 3.06Å; D276-W297 PolarHBondContact OD2-N 3.43Å; V282-W297 HydrophobicContact CG2-CH2 3.41Å; V282-W297 VanDerWaalsContact CG2-CH2 3.41Å; V282-W297 HydrophobicContact CG2-CZ2 4.18Å; V282-W297 HydrophobicContact CG2-CZ3 4.1Å; Y287-W297 HydrophobicContact CD1-CH2 4.22Å; Y287-W297 AromaticContact CD1-CZ2 3.61Å; Y287-W297 HydrophobicContact CD1-CZ2 3.61Å; Y287-W297 HydrophobicContact CE1-CH2 4.42Å; Y287-W297 AromaticContact CE1-CZ2 3.84Å; Y287-W297 HydrophobicContact CE1-CZ2 3.84Å; Y287-W297 HydrophobicContact CG-CZ2 4.39Å; V289-W297 HydrophobicContact CG2-CZ2 4.09Å; P293-W297 HydrophobicContact CG-CB 4.3Å; W297-C299 HydrophobicContact CH2-CB 4.18Å
298	L	82.5	Confident	79.3	Confident	15 Å²	15	43.6 Å²	43.6	8%	0.079	22%	0.224	C	C	.	.			trans	-109.2	139.1	172.7	-61.9	-156.5	0	0	0	111.3	D276 M277 C302 L303 Q526	D276-L298 HydrophobicContact CB-CD2 3.97Å; M277-L298 HydrophobicContact CB-CD1 4.26Å; M277-L298 HydrophobicContact CB-CD2 3.6Å; M277-L298 HydrophobicContact SD-CD1 4.23Å; L298-C302 HydrophobicContact CB-CB 4.15Å; L298-C302 HydrophobicContact CD1-CB 4.16Å; L298-L303 HydrophobicContact CB-CD1 4.48Å; L298-L303 HydrophobicContact CB-CD2 3.78Å; L298-L303 HydrophobicContact CB-CG 3.73Å; L298-L303 HydrophobicContact CD1-CD2 4.27Å; L298-L303 HydrophobicContact CG-CD2 4.41Å; L298-L303 WeakPolarHBondContact O-CD1 3.3Å; L298-Q526 VanDerWaalsContact CD1-CD 3.47Å; L298-Q526 VanDerWaalsContact CG-OE1 3.26Å
299	C	89.8	Confident	78.9	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.014	24%	0.24	C	C	.	.			trans	-70.7	160.5	171.6	77.1	0	0	0	0	111	C275 C278 L280 Y287 W297 R301 C302 L303	C275-C299 HydrophobicContact CB-CB 4.14Å; C275-C299 PolarHBondContact SG-N 2.87Å; C278-C299 VanDerWaalsContact SG-SG 3.64Å; L280-C299 HydrophobicContact CD2-CB 3.64Å; Y287-C299 HydrophobicContact CE1-CB 4.41Å; W297-C299 HydrophobicContact CH2-CB 4.18Å; C299-R301 VanDerWaalsContact C-N 3.26Å; C299-R301 PolarHBondContact O-N 3.3Å; C299-C302 WeakPolarHBondContact O-CA 3.28Å; C299-C302 PolarHBondContact O-N 3.34Å; C299-C302 VanDerWaalsContact SG-SG 3.69Å; C299-L303 PolarHBondContact O-N 3.28Å
300	K	89.7	Confident	79	Confident	60 Å²	60	46 Å²	46	26%	0.261	24%	0.239	S	C	.	.	H	α-helix	trans	-58.1	-36.4	-176.9	-66.6	-68.4	178.5	146.2	0	113.3	Y287 C302 L303 L304 K323 W330 E351	Y287-K300 HydrophobicContact CE1-CG 4.36Å; Y287-K300 VanDerWaalsContact OH-CB 3.31Å; Y287-K300 WeakPolarHBondContact OH-CB 3.46Å; Y287-K300 WeakPolarHBondContact OH-CG 3.47Å; Y287-K300 PolarHBondContact OH-N 3.21Å; K300-C302 VanDerWaalsContact C-N 3.35Å; K300-C302 PolarHBondContact O-N 3.44Å; K300-L303 HydrophobicContact CD-CD1 4.35Å; K300-L303 PolarHBondContact O-N 2.93Å; K300-L304 VanDerWaalsContact O-CB 3.3Å; K300-L304 WeakPolarHBondContact O-CB 3.45Å; K300-L304 WeakPolarHBondContact O-CG 3.49Å; K300-L304 PolarHBondContact O-N 3.07Å; K300-K323 HydrophobicContact CB-CD 4.17Å; K300-K323 HydrophobicContact CG-CD 3.57Å; K300-W330 HydrophobicContact CB-CH2 4.26Å; K300-W330 HydrophobicContact CB-CZ3 4.16Å; K300-E351 WeakPolarHBondContact CE-OE1 3.45Å; K300-E351 WeakPolarHBondContact CE-OE2 3.24Å; K300-E351 VanDerWaalsContact NZ-CD 3.32Å; K300-E351 IonicContact NZ-OE1 3.79Å; K300-E351 PolarHBondContact NZ-OE1 3.49Å; K300-E351 IonicContact NZ-OE2 3.77Å; K300-E351 PolarHBondContact NZ-OE2 3.31Å; K300-E351 VanDerWaalsContact NZ-OE2 3.1Å
301	R	89.3	Confident	79.6	Confident	43 Å²	43	47 Å²	47	16%	0.162	25%	0.247	C	C	.	.	H	α-helix	trans	-58.8	-47.1	173.1	179.5	-175.2	62.9	174.1	-0.3	111.1	C278 C299 L303 L304 S305 V310 W330	C278-R301 PolarHBondContact SG-NH2 3.19Å; C299-R301 VanDerWaalsContact C-N 3.26Å; C299-R301 PolarHBondContact O-N 3.3Å; R301-L303 VanDerWaalsContact C-N 3.35Å; R301-L304 PolarHBondContact O-N 3.19Å; R301-S305 CarbonylContact O-C 3.49Å; R301-S305 VanDerWaalsContact O-CA 3.26Å; R301-S305 WeakPolarHBondContact O-CA 3.5Å; R301-S305 PolarHBondContact O-N 3.07Å; R301-V310 HydrophobicContact CB-CG2 4.45Å; R301-V310 HydrophobicContact CG-CG2 3.84Å; R301-W330 HydrophobicContact CB-CH2 4.42Å; R301-W330 HydrophobicContact CB-CZ3 4.28Å
302	C	84.2	Confident	80.3	Confident	10 Å²	10	40.9 Å²	40.9	7%	0.068	22%	0.224	C	C	.	.	H	α-helix	trans	-69.8	-31.8	179.6	-72.6	0	0	0	0	113	C275 M277 C278 L298 C299 K300 P306	C275-C302 VanDerWaalsContact SG-SG 3.68Å; M277-C302 HydrophobicContact CB-CB 4.04Å; M277-C302 HydrophobicContact CG-CB 4.28Å; M277-C302 HydrophobicContact SD-CB 3.6Å; M277-C302 VanDerWaalsContact SD-CB 3.6Å; C278-C302 VanDerWaalsContact CB-SG 3.57Å; C278-C302 PolarHBondContact SG-SG 2.91Å; L298-C302 HydrophobicContact CB-CB 4.15Å; L298-C302 HydrophobicContact CD1-CB 4.16Å; C299-C302 WeakPolarHBondContact O-CA 3.28Å; C299-C302 PolarHBondContact O-N 3.34Å; C299-C302 VanDerWaalsContact SG-SG 3.69Å; K300-C302 VanDerWaalsContact C-N 3.35Å; K300-C302 PolarHBondContact O-N 3.44Å; C302-P306 WeakPolarHBondContact O-CB 3.14Å; C302-P306 WeakPolarHBondContact O-CD 3.5Å
303	L	83.4	Confident	81.3	Confident	58 Å²	58	38.2 Å²	38.2	30%	0.304	21%	0.213	S	C	.	.	H	α-helix	trans	-72.4	-34.2	176	-72.4	170	0	0	0	113.2	L298 C299 K300 R301 V516	L298-L303 HydrophobicContact CB-CD1 4.48Å; L298-L303 HydrophobicContact CB-CD2 3.78Å; L298-L303 HydrophobicContact CB-CG 3.73Å; L298-L303 HydrophobicContact CD1-CD2 4.27Å; L298-L303 HydrophobicContact CG-CD2 4.41Å; L298-L303 WeakPolarHBondContact O-CD1 3.3Å; C299-L303 PolarHBondContact O-N 3.28Å; K300-L303 HydrophobicContact CD-CD1 4.35Å; K300-L303 PolarHBondContact O-N 2.93Å; R301-L303 VanDerWaalsContact C-N 3.35Å; L303-V516 WeakPolarHBondContact O-CG2 3.23Å
304	L	84.6	Confident	82.8	Confident	65 Å²	65	37.4 Å²	37.4	34%	0.34	21%	0.207	S	C	.	.	H	α-helix	trans	-112.8	-26.3	-168.7	-60.3	177.1	0	0	0	114.2	K300 R301 Q324 W330 F514 V516	K300-L304 VanDerWaalsContact O-CB 3.3Å; K300-L304 WeakPolarHBondContact O-CB 3.45Å; K300-L304 WeakPolarHBondContact O-CG 3.49Å; K300-L304 PolarHBondContact O-N 3.07Å; R301-L304 PolarHBondContact O-N 3.19Å; L304-Q324 HydrophobicContact CD1-CG 4.23Å; L304-W330 HydrophobicContact CB-CH2 4.1Å; L304-W330 HydrophobicContact CB-CZ2 4.03Å; L304-W330 HydrophobicContact CD1-CH2 4Å; L304-W330 HydrophobicContact CD1-CZ2 4.28Å; L304-F514 WeakPolarHBondContact O-CB 3.22Å; L304-V516 WeakPolarHBondContact O-CG2 3.3Å
305	S	84.6	Confident	84.7	Confident	7 Å²	7	34.7 Å²	34.7	5%	0.049	20%	0.195	C	C	.	.			trans	-141.7	57.6	178.6	-168	0	0	0	0	111.6	R301 S307 E308 F514	R301-S305 CarbonylContact O-C 3.49Å; R301-S305 VanDerWaalsContact O-CA 3.26Å; R301-S305 WeakPolarHBondContact O-CA 3.5Å; R301-S305 PolarHBondContact O-N 3.07Å; S305-S307 VanDerWaalsContact C-N 3.26Å; S305-S307 PolarHBondContact O-N 3.24Å; S305-E308 VanDerWaalsContact O-O 3.06Å; S305-E308 PolarHBondContact OG-O 2.91Å; S305-F514 CarbonylContact C-O 3.59Å
306	P	78.2	Confident	86.2	Confident	9 Å²	9	34.5 Å²	34.5	6%	0.058	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-31.8	178.3	19.7	-31	0	0	0	114.3	F241 M277 C302 L474 F514 G515	F241-P306 HydrophobicContact CE1-CB 4.06Å; F241-P306 HydrophobicContact CZ-CB 3.77Å; F241-P306 HydrophobicContact CZ-CG 4.06Å; M277-P306 HydrophobicContact CE-CB 3.46Å; M277-P306 VanDerWaalsContact CE-CB 3.46Å; M277-P306 HydrophobicContact SD-CB 3.94Å; C302-P306 WeakPolarHBondContact O-CB 3.14Å; C302-P306 WeakPolarHBondContact O-CD 3.5Å; P306-L474 PolarHBondContact O-N 3.18Å; P306-F514 WeakPolarHBondContact CD-O 3.33Å; P306-F514 WeakPolarHBondContact CG-O 3.21Å; P306-G515 WeakPolarHBondContact CG-O 3.43Å
307	S	74.5	Confident	87.5	Confident	30 Å²	30	30.5 Å²	30.5	21%	0.21	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	4.5	-172.6	-59.2	0	0	0	0	114.2	S305 I473 L474 F514 G515	S305-S307 VanDerWaalsContact C-N 3.26Å; S305-S307 PolarHBondContact O-N 3.24Å; S307-I473 VanDerWaalsContact C-CG2 3.41Å; S307-I473 WeakPolarHBondContact O-CG2 3.45Å; S307-L474 PolarHBondContact OG-O 3.12Å; S307-F514 PolarHBondContact N-O 3.05Å; S307-G515 WeakPolarHBondContact OG-CA 3.35Å
308	E	77.4	Confident	87.9	Confident	90 Å²	90	32.8 Å²	32.8	42%	0.421	18%	0.183	S	C	.	.	S	Bend	trans	-135.7	135.6	174.9	-167.4	172.6	157.2	0	0	110.9	S305 F514	S305-E308 VanDerWaalsContact O-O 3.06Å; S305-E308 PolarHBondContact OG-O 2.91Å; E308-F514 HydrophobicContact CB-CD1 4.06Å; E308-F514 WeakPolarHBondContact OE2-CD1 3.43Å; E308-F514 VanDerWaalsContact OE2-CE1 3.3Å; E308-F514 WeakPolarHBondContact OE2-CE1 3.31Å
309	P	82.3	Confident	88.1	Confident	60 Å²	60	33 Å²	33	39%	0.39	19%	0.189	S	C	.	.			trans	-73	136.9	176.4	27.8	-28.1	0	0	0	110.4	S471 I473	P309-S471 WeakPolarHBondContact CB-OG 3.37Å; P309-I473 HydrophobicContact CG-CD1 3.99Å
310	V	90.2	Very high	88.1	Confident	13 Å²	13	34.3 Å²	34.3	8%	0.079	20%	0.203	C	C	.	.			trans	-104	141.7	176	-55.1	0	0	0	0	110	R301 M322 W330	R301-V310 HydrophobicContact CB-CG2 4.45Å; R301-V310 HydrophobicContact CG-CG2 3.84Å; V310-M322 HydrophobicContact CG2-CE 3.34Å; V310-M322 HydrophobicContact CG2-SD 3.83Å; V310-W330 HydrophobicContact CB-CB 4.12Å; V310-W330 HydrophobicContact CB-CD2 3.91Å; V310-W330 HydrophobicContact CB-CG 3.62Å; V310-W330 HydrophobicContact CG1-CD2 4.05Å; V310-W330 HydrophobicContact CG1-CG 4.08Å; V310-W330 HydrophobicContact CG1-CZ2 4.22Å; V310-W330 HydrophobicContact CG2-CB 4.2Å; V310-W330 HydrophobicContact CG2-CD2 3.75Å; V310-W330 HydrophobicContact CG2-CE3 4.03Å; V310-W330 HydrophobicContact CG2-CG 3.83Å
311	S	93.1	Very high	88.3	Confident	81 Å²	81	31.7 Å²	31.7	57%	0.566	19%	0.193	S	C	*	.	B	Isolated β-bridge	trans	-106.8	143.7	179.2	60.6	0	0	0	0	111.1	W330	S311-W330 WeakPolarHBondContact O-CB 3.3Å
312	C	96.6	Very high	88.6	Confident	9 Å²	9	29.7 Å²	29.7	6%	0.061	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-76.5	128.7	175.7	179.1	0	0	0	0	110.3	L314 W330 H332	C312-L314 PolarHBondContact O-N 3.26Å; C312-L314 PolarHBondContact SG-N 3.5Å; C312-L314 VanDerWaalsContact SG-N 3.39Å; C312-W330 CarbonylContact C-O 3.57Å; C312-W330 WeakPolarHBondContact CA-O 3.45Å; C312-H332 VanDerWaalsContact CB-CE1 3.42Å; C312-H332 WeakPolarHBondContact CB-CE1 3.31Å; C312-H332 VanDerWaalsContact CB-ND1 3.3Å; C312-H332 WeakPolarHBondContact CB-ND1 3.4Å; C312-H332 PolarHBondContact SG-N 3.23Å; C312-H332 PolarHBondContact SG-ND1 3.15Å
313	C	96.3	Very high	89.2	Confident	24 Å²	24	29.4 Å²	29.4	16%	0.162	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-4.1	176.9	68.5	0	0	0	0	113.8	R329 W330	C313-R329 HydrophobicContact CB-CB 4.43Å; C313-W330 PolarHBondContact N-O 2.95Å; C313-W330 PolarHBondContact SG-O 3.25Å; C313-W330 VanDerWaalsContact SG-O 3.38Å
314	L	97.7	Very high	89.7	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-7.8	-178	-61.5	174.8	0	0	0	113.3	C312 A331 C335 I339 V342 I356 V359 G377 A378	C312-L314 PolarHBondContact O-N 3.26Å; C312-L314 PolarHBondContact SG-N 3.5Å; C312-L314 VanDerWaalsContact SG-N 3.39Å; L314-A331 HydrophobicContact CD1-CB 3.83Å; L314-A331 HydrophobicContact CG-CB 4.21Å; L314-C335 HydrophobicContact CB-CB 3.81Å; L314-C335 HydrophobicContact CD1-CB 3.79Å; L314-C335 HydrophobicContact CG-CB 4.46Å; L314-I339 HydrophobicContact CB-CD1 3.85Å; L314-I339 HydrophobicContact CD1-CD1 3.84Å; L314-I339 HydrophobicContact CD2-CD1 4.08Å; L314-I339 HydrophobicContact CG-CD1 4.14Å; L314-V342 HydrophobicContact CD1-CG1 4.18Å; L314-V342 HydrophobicContact CD1-CG2 4.09Å; L314-V342 HydrophobicContact CD2-CG2 4.33Å; L314-I356 HydrophobicContact CD1-CD1 3.77Å; L314-I356 HydrophobicContact CD2-CD1 3.9Å; L314-I356 HydrophobicContact CD2-CG2 4.41Å; L314-I356 HydrophobicContact CG-CD1 4.01Å; L314-V359 HydrophobicContact CD2-CG2 4.39Å; L314-G377 CarbonylContact O-C 3.6Å; L314-G377 VanDerWaalsContact O-CA 3.24Å; L314-G377 WeakPolarHBondContact O-CA 3.46Å; L314-A378 HydrophobicContact CD2-CB 4.44Å; L314-A378 PolarHBondContact O-N 2.83Å
315	C	96.3	Very high	90.3	Very high	2 Å²	2	27 Å²	27	1%	0.014	17%	0.168	C	C	.	.			trans	-161.3	160.4	174	80.7	0	0	0	0	111.5	N317 H332 V376 H392 T394	C315-N317 VanDerWaalsContact C-N 3.27Å; C315-N317 PolarHBondContact O-N 3.21Å; C315-H332 PolarHBondContact SG-CE1 3.15Å; C315-H332 PolarHBondContact SG-ND1 3.13Å; C315-V376 CarbonylContact C-O 3.57Å; C315-V376 VanDerWaalsContact C-O 3.31Å; C315-V376 WeakPolarHBondContact CA-O 3.33Å; C315-H392 HydrophobicContact CB-CB 4.05Å; C315-T394 PolarHBondContact SG-OG1 3.19Å
316	P	94.4	Very high	90.7	Very high	27 Å²	27	29.9 Å²	29.9	18%	0.175	19%	0.189	C	C	.	.	S	Bend	trans	-82.1	3.3	-177.1	33.3	-39.2	0	0	0	114.6	V376 R467	P316-V376 HydrophobicContact CB-CB 4.11Å; P316-V376 HydrophobicContact CB-CG2 3.85Å; P316-V376 HydrophobicContact CG-CG2 3.82Å; P316-R467 VanDerWaalsContact CG-NH2 3.35Å; P316-R467 PolarHBondContact O-NE 3.19Å
317	N	92.3	Very high	91.3	Very high	11 Å²	11	32.9 Å²	32.9	6%	0.059	20%	0.204	C	C	.	.			trans	-85.1	140.5	-174.4	-63.2	-34.3	0	0	0	110.6	C315 H332 T394 C395 R467	C315-N317 VanDerWaalsContact C-N 3.27Å; C315-N317 PolarHBondContact O-N 3.21Å; N317-H332 PolarHBondContact O-CE1 2.71Å; N317-H332 VanDerWaalsContact O-CE1 3.25Å; N317-T394 PolarHBondContact ND2-OG1 2.97Å; N317-C395 PolarHBondContact ND2-SG 3.45Å; N317-C395 VanDerWaalsContact ND2-SG 3.38Å; N317-R467 VanDerWaalsContact OD1-CZ 3.3Å; N317-R467 PolarHBondContact OD1-NE 3.34Å; N317-R467 PolarHBondContact OD1-NH2 3.38Å
318	L	88.8	Confident	92.1	Very high	72 Å²	72	37.8 Å²	37.8	38%	0.377	23%	0.228	S	C	.	.	B	Isolated β-bridge	trans	-96.6	157.3	176.8	-61.3	176.4	0	0	0	110.9	R467	L318-R467 WeakPolarHBondContact CD1-O 3.29Å
319	G	86.3	Confident	92.9	Very high	20 Å²	20	38.1 Å²	38.1	21%	0.206	23%	0.226	C	C	.	.	S	Bend	trans	78.6	-162.1	178.2	0	0	0	0	0	113.9	H332	G319-H332 PolarHBondContact O-CD2 3.37Å; G319-H332 VanDerWaalsContact O-CD2 3.3Å; G319-H332 PolarHBondContact O-NE2 3.44Å
320	G	89.8	Confident	93.6	Very high	30 Å²	30	36.5 Å²	36.5	31%	0.309	21%	0.212	S	C	.	.	S	Bend	trans	71.6	-177.5	-177.1	0	0	0	0	0	114.7	M322	G320-M322 PolarHBondContact O-N 3Å
321	A	94.4	Very high	94	Very high	4 Å²	4	35.9 Å²	35.9	3%	0.033	21%	0.208	C	C	.	.	S	Bend	trans	-74.9	112.9	-178	0	0	0	0	0	111.6	V260 L280 V282 Y287 H332 V333	V260-A321 HydrophobicContact CG2-CB 3.5Å; L280-A321 HydrophobicContact CD1-CB 4.42Å; L280-A321 HydrophobicContact CD2-CB 4.2Å; V282-A321 HydrophobicContact CG1-CB 3.71Å; Y287-A321 HydrophobicContact CD2-CB 3.87Å; Y287-A321 HydrophobicContact CE2-CB 3.94Å; A321-H332 CarbonylContact O-C 3.38Å; A321-H332 VanDerWaalsContact O-CA 3.29Å; A321-H332 WeakPolarHBondContact O-CA 3.42Å; A321-V333 HydrophobicContact CB-CG2 4.34Å; A321-V333 PolarHBondContact O-N 2.9Å
322	M	95.7	Very high	94.2	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	151.9	-178.7	-62.5	-178.5	-77.2	0	0	111.8	Y287 V310 G320 W330 A331 H332	Y287-M322 PolarHBondContact OH-O 3.31Å; V310-M322 HydrophobicContact CG2-CE 3.34Å; V310-M322 HydrophobicContact CG2-SD 3.83Å; G320-M322 PolarHBondContact O-N 3Å; M322-W330 HydrophobicContact CB-CE3 3.85Å; M322-W330 HydrophobicContact CB-CZ3 4.41Å; M322-A331 WeakPolarHBondContact CA-O 3.3Å; M322-H332 VanDerWaalsContact CG-CD2 3.46Å; M322-H332 WeakPolarHBondContact CG-CD2 3.34Å
323	K	95.8	Very high	94.2	Very high	3 Å²	3	32 Å²	32	1%	0.013	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	158.4	173.5	-65.5	-70.5	-167.5	111.5	0	109	Y287 K300 A331 V333 F349 E351 I353	Y287-K323 HydrophobicContact CE1-CD 4.44Å; Y287-K323 VanDerWaalsContact CE1-CE 3.49Å; Y287-K323 HydrophobicContact CE2-CD 4.29Å; Y287-K323 VanDerWaalsContact CZ-CE 3.4Å; Y287-K323 WeakPolarHBondContact O-CE 3.33Å; Y287-K323 PolarHBondContact O-NZ 3.33Å; K300-K323 HydrophobicContact CB-CD 4.17Å; K300-K323 HydrophobicContact CG-CD 3.57Å; K323-A331 PolarHBondContact N-O 2.83Å; K323-A331 PolarHBondContact O-N 3.3Å; K323-A331 VanDerWaalsContact O-N 3.09Å; K323-V333 HydrophobicContact CG-CG2 3.64Å; K323-F349 PolarHBondContact NZ-O 2.79Å; K323-E351 HydrophobicContact CD-CB 4.39Å; K323-E351 IonicContact NZ-OE2 3.08Å; K323-E351 PolarHBondContact NZ-OE2 3.46Å; K323-I353 HydrophobicContact CB-CD1 3.87Å; K323-I353 HydrophobicContact CB-CG1 4.21Å
324	Q	95.4	Very high	94.2	Very high	69 Å²	69	31 Å²	31	32%	0.322	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	147	174.2	-75.5	-177.5	-59.3	0	0	111.3	L304 R329 W330 I353	L304-Q324 HydrophobicContact CD1-CG 4.23Å; Q324-R329 CarbonylContact C-O 3.39Å; Q324-R329 VanDerWaalsContact CA-O 3.29Å; Q324-R329 WeakPolarHBondContact CA-O 3.49Å; Q324-W330 HydrophobicContact CG-CD2 4.03Å; Q324-W330 HydrophobicContact CG-CE3 4.28Å; Q324-W330 HydrophobicContact CG-CH2 3.9Å; Q324-W330 HydrophobicContact CG-CZ2 3.6Å; Q324-W330 HydrophobicContact CG-CZ3 4.23Å; Q324-I353 PolarHBondContact O-N 3.07Å
325	T	96.3	Very high	94.2	Very high	3 Å²	3	31.1 Å²	31.1	2%	0.018	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-87.6	164.4	168.6	56.9	0	0	0	0	110.4	D327 N328 R329 A331 I353 I356	T325-D327 WeakPolarHBondContact CB-OD1 3.49Å; T325-D327 PolarHBondContact O-N 3.2Å; T325-D327 VanDerWaalsContact O-N 3.13Å; T325-D327 PolarHBondContact OG1-OD1 3.38Å; T325-N328 PolarHBondContact O-N 3.48Å; T325-N328 VanDerWaalsContact O-N 3.13Å; T325-R329 PolarHBondContact N-O 2.87Å; T325-R329 VanDerWaalsContact OG1-C 3.28Å; T325-R329 WeakPolarHBondContact OG1-CA 3.37Å; T325-R329 WeakPolarHBondContact OG1-CB 3.46Å; T325-R329 PolarHBondContact OG1-N 3.38Å; T325-R329 PolarHBondContact OG1-O 2.77Å; T325-R329 VanDerWaalsContact OG1-O 3.06Å; T325-A331 HydrophobicContact CG2-CB 4.06Å; T325-I353 CarbonylContact C-O 3.57Å; T325-I353 WeakPolarHBondContact CA-O 3.33Å; T325-I353 WeakPolarHBondContact CB-O 3.03Å; T325-I353 HydrophobicContact CG2-CB 3.93Å; T325-I353 HydrophobicContact CG2-CG2 4.07Å; T325-I356 HydrophobicContact CG2-CD1 3.91Å; T325-I356 HydrophobicContact CG2-CG1 3.74Å
326	S	92.7	Very high	94.2	Very high	68 Å²	68	31.1 Å²	31.1	48%	0.476	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-16	176.9	54	0	0	0	0	114.4	I353	S326-I353 PolarHBondContact N-O 3.01Å
327	D	91.7	Very high	94.3	Very high	73 Å²	73	30.7 Å²	30.7	39%	0.39	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	27	176.1	66.7	-19	0	0	0	113.4	T325 R329	T325-D327 WeakPolarHBondContact CB-OD1 3.49Å; T325-D327 PolarHBondContact O-N 3.2Å; T325-D327 VanDerWaalsContact O-N 3.13Å; T325-D327 PolarHBondContact OG1-OD1 3.38Å; D327-R329 PolarHBondContact O-N 3.19Å; D327-R329 VanDerWaalsContact O-N 3.14Å; D327-R329 IonicContact OD1-NE 3.13Å; D327-R329 IonicContact OD2-CZ 2.65Å; D327-R329 IonicContact OD2-NE 3.32Å; D327-R329 PolarHBondContact OD2-NE 3.19Å; D327-R329 IonicContact OD2-NH2 3.97Å; D327-R329 PolarHBondContact OD2-NH2 3.3Å
328	N	90.5	Very high	94.5	Very high	133 Å²	133	30.7 Å²	30.7	71%	0.711	17%	0.17	S	C	*	.	S	Bend	trans	62	16.4	175.4	-61.5	-37	0	0	0	116	T325	T325-N328 PolarHBondContact O-N 3.48Å; T325-N328 VanDerWaalsContact O-N 3.13Å
329	R	95.1	Very high	94.9	Very high	97 Å²	97	27.3 Å²	27.3	37%	0.366	15%	0.152	S	C	.	.			trans	-91.5	-179.4	168.7	-61.4	-174.8	-69.7	176.2	-9.7	110.2	C313 Q324 T325 D327 I356	C313-R329 HydrophobicContact CB-CB 4.43Å; Q324-R329 CarbonylContact C-O 3.39Å; Q324-R329 VanDerWaalsContact CA-O 3.29Å; Q324-R329 WeakPolarHBondContact CA-O 3.49Å; T325-R329 PolarHBondContact N-O 2.87Å; T325-R329 VanDerWaalsContact OG1-C 3.28Å; T325-R329 WeakPolarHBondContact OG1-CA 3.37Å; T325-R329 WeakPolarHBondContact OG1-CB 3.46Å; T325-R329 PolarHBondContact OG1-N 3.38Å; T325-R329 PolarHBondContact OG1-O 2.77Å; T325-R329 VanDerWaalsContact OG1-O 3.06Å; D327-R329 PolarHBondContact O-N 3.19Å; D327-R329 VanDerWaalsContact O-N 3.14Å; D327-R329 IonicContact OD1-NE 3.13Å; D327-R329 IonicContact OD2-CZ 2.65Å; D327-R329 IonicContact OD2-NE 3.32Å; D327-R329 PolarHBondContact OD2-NE 3.19Å; D327-R329 IonicContact OD2-NH2 3.97Å; D327-R329 PolarHBondContact OD2-NH2 3.3Å; R329-I356 VanDerWaalsContact NH2-CG2 3.26Å
330	W	96.7	Very high	95.3	Very high	25 Å²	25	30.5 Å²	30.5	10%	0.095	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	144.7	177.9	-69.5	82.4	0	0	0	110.8	K300 R301 L304 V310 S311 C312 C313 M322 Q324	K300-W330 HydrophobicContact CB-CH2 4.26Å; K300-W330 HydrophobicContact CB-CZ3 4.16Å; R301-W330 HydrophobicContact CB-CH2 4.42Å; R301-W330 HydrophobicContact CB-CZ3 4.28Å; L304-W330 HydrophobicContact CB-CH2 4.1Å; L304-W330 HydrophobicContact CB-CZ2 4.03Å; L304-W330 HydrophobicContact CD1-CH2 4Å; L304-W330 HydrophobicContact CD1-CZ2 4.28Å; V310-W330 HydrophobicContact CB-CB 4.12Å; V310-W330 HydrophobicContact CB-CD2 3.91Å; V310-W330 HydrophobicContact CB-CG 3.62Å; V310-W330 HydrophobicContact CG1-CD2 4.05Å; V310-W330 HydrophobicContact CG1-CG 4.08Å; V310-W330 HydrophobicContact CG1-CZ2 4.22Å; V310-W330 HydrophobicContact CG2-CB 4.2Å; V310-W330 HydrophobicContact CG2-CD2 3.75Å; V310-W330 HydrophobicContact CG2-CE3 4.03Å; V310-W330 HydrophobicContact CG2-CG 3.83Å; S311-W330 WeakPolarHBondContact O-CB 3.3Å; C312-W330 CarbonylContact C-O 3.57Å; C312-W330 WeakPolarHBondContact CA-O 3.45Å; C313-W330 PolarHBondContact N-O 2.95Å; C313-W330 PolarHBondContact SG-O 3.25Å; C313-W330 VanDerWaalsContact SG-O 3.38Å; M322-W330 HydrophobicContact CB-CE3 3.85Å; M322-W330 HydrophobicContact CB-CZ3 4.41Å; Q324-W330 HydrophobicContact CG-CD2 4.03Å; Q324-W330 HydrophobicContact CG-CE3 4.28Å; Q324-W330 HydrophobicContact CG-CH2 3.9Å; Q324-W330 HydrophobicContact CG-CZ2 3.6Å; Q324-W330 HydrophobicContact CG-CZ3 4.23Å
331	A	97.8	Very high	95.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	150.3	170.3	0	0	0	0	0	110.2	L314 M322 K323 T325 I353	L314-A331 HydrophobicContact CD1-CB 3.83Å; L314-A331 HydrophobicContact CG-CB 4.21Å; M322-A331 WeakPolarHBondContact CA-O 3.3Å; K323-A331 PolarHBondContact N-O 2.83Å; K323-A331 PolarHBondContact O-N 3.3Å; K323-A331 VanDerWaalsContact O-N 3.09Å; T325-A331 HydrophobicContact CG2-CB 4.06Å; A331-I353 HydrophobicContact CB-CD1 3.7Å; A331-I353 HydrophobicContact CB-CG2 4.44Å
332	H	97.4	Very high	95.7	Very high	8 Å²	8	31.4 Å²	31.4	4%	0.037	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	140.1	170.3	-66.1	109.1	0	0	0	110.2	C312 C315 N317 G319 A321 M322 A334 C335 A336 T394	C312-H332 VanDerWaalsContact CB-CE1 3.42Å; C312-H332 WeakPolarHBondContact CB-CE1 3.31Å; C312-H332 VanDerWaalsContact CB-ND1 3.3Å; C312-H332 WeakPolarHBondContact CB-ND1 3.4Å; C312-H332 PolarHBondContact SG-N 3.23Å; C312-H332 PolarHBondContact SG-ND1 3.15Å; C315-H332 PolarHBondContact SG-CE1 3.15Å; C315-H332 PolarHBondContact SG-ND1 3.13Å; N317-H332 PolarHBondContact O-CE1 2.71Å; N317-H332 VanDerWaalsContact O-CE1 3.25Å; G319-H332 PolarHBondContact O-CD2 3.37Å; G319-H332 VanDerWaalsContact O-CD2 3.3Å; G319-H332 PolarHBondContact O-NE2 3.44Å; A321-H332 CarbonylContact O-C 3.38Å; A321-H332 VanDerWaalsContact O-CA 3.29Å; A321-H332 WeakPolarHBondContact O-CA 3.42Å; M322-H332 VanDerWaalsContact CG-CD2 3.46Å; M322-H332 WeakPolarHBondContact CG-CD2 3.34Å; H332-A334 PolarHBondContact O-N 3.14Å; H332-C335 HydrophobicContact CB-CB 3.99Å; H332-C335 WeakPolarHBondContact O-CB 3.37Å; H332-C335 PolarHBondContact O-N 3.22Å; H332-A336 PolarHBondContact O-N 3.43Å; H332-T394 HydrophobicContact CB-CG2 4.2Å
333	V	97.4	Very high	95.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-56.6	-42.6	171	-179.4	0	0	0	0	109.8	V260 C286 Y287 A321 K323 C335 A336 L337 F344 L350	V260-V333 HydrophobicContact CG1-CG1 4.24Å; V260-V333 HydrophobicContact CG2-CB 4.3Å; V260-V333 HydrophobicContact CG2-CG1 4.49Å; C286-V333 WeakPolarHBondContact O-CG1 3.19Å; Y287-V333 HydrophobicContact CD2-CG2 4.15Å; Y287-V333 HydrophobicContact CE2-CG2 4.16Å; A321-V333 HydrophobicContact CB-CG2 4.34Å; A321-V333 PolarHBondContact O-N 2.9Å; K323-V333 HydrophobicContact CG-CG2 3.64Å; V333-C335 PolarHBondContact O-N 3.48Å; V333-A336 PolarHBondContact O-N 2.95Å; V333-L337 HydrophobicContact CG1-CD1 4.03Å; V333-L337 HydrophobicContact CG1-CG 4.44Å; V333-L337 WeakPolarHBondContact O-CG 3.47Å; V333-L337 PolarHBondContact O-N 2.73Å; V333-F344 HydrophobicContact CG1-CE1 4.37Å; V333-F344 HydrophobicContact CG1-CZ 3.85Å; V333-L350 HydrophobicContact CG1-CD1 4.16Å
334	A	96.5	Very high	95.6	Very high	5 Å²	5	36 Å²	36	4%	0.041	19%	0.186	C	C	.	.	H	α-helix	trans	-59.5	-43.2	174.7	0	0	0	0	0	113	H332 A336 L337 W338 V393 L397	H332-A334 PolarHBondContact O-N 3.14Å; A334-A336 PolarHBondContact O-N 2.98Å; A334-L337 PolarHBondContact O-N 3.13Å; A334-W338 VanDerWaalsContact O-CD1 3.31Å; A334-W338 PolarHBondContact O-N 3.31Å; A334-V393 HydrophobicContact CB-CG1 4.35Å; A334-L397 HydrophobicContact CB-CD1 3.77Å
335	C	97.7	Very high	95.4	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.007	19%	0.192	C	C	.	.	H	α-helix	trans	-61.4	-45.8	177.1	-74.4	0	0	0	0	111.5	L314 H332 V333 L337 W338 I339	L314-C335 HydrophobicContact CB-CB 3.81Å; L314-C335 HydrophobicContact CD1-CB 3.79Å; L314-C335 HydrophobicContact CG-CB 4.46Å; H332-C335 HydrophobicContact CB-CB 3.99Å; H332-C335 WeakPolarHBondContact O-CB 3.37Å; H332-C335 PolarHBondContact O-N 3.22Å; V333-C335 PolarHBondContact O-N 3.48Å; C335-L337 VanDerWaalsContact C-N 3.32Å; C335-L337 PolarHBondContact O-N 3.1Å; C335-W338 PolarHBondContact O-N 2.69Å; C335-I339 HydrophobicContact CB-CD1 4.22Å; C335-I339 WeakPolarHBondContact O-CB 3.47Å; C335-I339 WeakPolarHBondContact O-CD1 3.41Å; C335-I339 WeakPolarHBondContact O-CG1 3.32Å; C335-I339 PolarHBondContact O-N 3.49Å
336	A	96.9	Very high	95.1	Very high	2 Å²	2	38.2 Å²	38.2	2%	0.017	21%	0.208	C	C	.	.	H	α-helix	trans	-65.2	-33.6	178.2	0	0	0	0	0	113	H332 V333 A334 V342 F344 I353	H332-A336 PolarHBondContact O-N 3.43Å; V333-A336 PolarHBondContact O-N 2.95Å; A334-A336 PolarHBondContact O-N 2.98Å; A336-V342 HydrophobicContact CB-CG1 3.62Å; A336-F344 HydrophobicContact CB-CE1 3.81Å; A336-F344 HydrophobicContact CB-CE2 4.22Å; A336-F344 HydrophobicContact CB-CZ 3.57Å; A336-I353 HydrophobicContact CB-CD1 3.89Å; A336-I353 HydrophobicContact CB-CG1 4.02Å; A336-I353 HydrophobicContact CB-CG2 3.8Å
337	L	95.3	Very high	94.9	Very high	18 Å²	18	37.2 Å²	37.2	9%	0.094	20%	0.201	C	C	.	.	H	α-helix	trans	-67.3	-36.1	176.2	-77.1	167.1	0	0	0	113.2	V260 V333 A334 C335 F344 F405 K419 M803	V260-L337 HydrophobicContact CG1-CD1 3.73Å; V333-L337 HydrophobicContact CG1-CD1 4.03Å; V333-L337 HydrophobicContact CG1-CG 4.44Å; V333-L337 WeakPolarHBondContact O-CG 3.47Å; V333-L337 PolarHBondContact O-N 2.73Å; A334-L337 PolarHBondContact O-N 3.13Å; C335-L337 VanDerWaalsContact C-N 3.32Å; C335-L337 PolarHBondContact O-N 3.1Å; L337-F344 HydrophobicContact CD2-CE2 3.71Å; L337-F344 HydrophobicContact CD2-CZ 4.43Å; L337-F344 HydrophobicContact CG-CE2 3.87Å; L337-F344 HydrophobicContact CG-CZ 4.14Å; L337-F405 HydrophobicContact CB-CZ 4.33Å; L337-K419 WeakPolarHBondContact O-CE 3.09Å; L337-K419 PolarHBondContact O-NZ 3.36Å; L337-M803 HydrophobicContact CD2-CE 4.29Å
338	W	96.4	Very high	94.6	Very high	12 Å²	12	37.4 Å²	37.4	5%	0.045	20%	0.204	C	C	.	.	H	α-helix	trans	-101.6	-22.2	-169.3	-78.9	95.7	0	0	0	114.5	A334 C335 P340 I380 V393 L403 F405 K419	A334-W338 VanDerWaalsContact O-CD1 3.31Å; A334-W338 PolarHBondContact O-N 3.31Å; C335-W338 PolarHBondContact O-N 2.69Å; W338-P340 WeakPolarHBondContact O-CD 3.2Å; W338-I380 HydrophobicContact CB-CD1 4.45Å; W338-I380 HydrophobicContact CE3-CD1 4.32Å; W338-V393 HydrophobicContact CB-CB 4.24Å; W338-V393 HydrophobicContact CB-CG1 3.67Å; W338-V393 HydrophobicContact CB-CG2 3.5Å; W338-V393 VanDerWaalsContact CB-CG2 3.5Å; W338-V393 HydrophobicContact CG-CG1 3.67Å; W338-V393 HydrophobicContact CG-CG2 4.37Å; W338-L403 HydrophobicContact CD2-CD2 4Å; W338-L403 HydrophobicContact CD2-CG 4.48Å; W338-L403 HydrophobicContact CE3-CD2 4.4Å; W338-L403 HydrophobicContact CG-CD2 4.39Å; W338-L403 HydrophobicContact CH2-CB 3.76Å; W338-L403 HydrophobicContact CH2-CG 4.13Å; W338-L403 HydrophobicContact CZ2-CB 3.52Å; W338-L403 HydrophobicContact CZ2-CD2 4.2Å; W338-L403 HydrophobicContact CZ2-CG 4.08Å; W338-L403 HydrophobicContact CZ3-CB 4.43Å; W338-L403 HydrophobicContact CZ3-CG 4.32Å; W338-F405 HydrophobicContact CD2-CE1 4.46Å; W338-F405 AromaticContact CD2-CZ 3.97Å; W338-F405 HydrophobicContact CD2-CZ 3.97Å; W338-F405 AromaticContact CE2-CE2 3.57Å; W338-F405 AromaticContact CE2-CZ 3.32Å; W338-F405 HydrophobicContact CG-CZ 4.37Å; W338-F405 HydrophobicContact CH2-CE1 4.35Å; W338-F405 HydrophobicContact CH2-CE2 4.3Å; W338-F405 HydrophobicContact CH2-CZ 4.21Å; W338-F405 HydrophobicContact CZ2-CD1 4.49Å; W338-F405 AromaticContact CZ2-CD2 3.88Å; W338-F405 HydrophobicContact CZ2-CD2 3.88Å; W338-F405 HydrophobicContact CZ2-CE1 4.04Å; W338-F405 AromaticContact CZ2-CE2 3.37Å; W338-F405 HydrophobicContact CZ2-CE2 3.37Å; W338-F405 HydrophobicContact CZ2-CG 4.41Å; W338-F405 AromaticContact CZ2-CZ 3.45Å; W338-F405 HydrophobicContact CZ2-CZ 3.45Å; W338-F405 VanDerWaalsContact CZ2-CZ 3.45Å; W338-F405 AromaticContact NE1-CE2 3.61Å; W338-F405 AromaticContact NE1-CZ 3.43Å; W338-K419 HydrophobicContact CE3-CB 4.32Å; W338-K419 HydrophobicContact CZ3-CB 3.87Å
339	I	97	Very high	94.5	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	-81.3	118.8	176.3	-66.9	163.2	0	0	0	108.9	L314 C335 E341 V342 V359 A378 I380 V393	L314-I339 HydrophobicContact CB-CD1 3.85Å; L314-I339 HydrophobicContact CD1-CD1 3.84Å; L314-I339 HydrophobicContact CD2-CD1 4.08Å; L314-I339 HydrophobicContact CG-CD1 4.14Å; C335-I339 HydrophobicContact CB-CD1 4.22Å; C335-I339 WeakPolarHBondContact O-CB 3.47Å; C335-I339 WeakPolarHBondContact O-CD1 3.41Å; C335-I339 WeakPolarHBondContact O-CG1 3.32Å; C335-I339 PolarHBondContact O-N 3.49Å; I339-E341 VanDerWaalsContact C-N 3.28Å; I339-E341 WeakPolarHBondContact CG2-OE2 3.34Å; I339-E341 PolarHBondContact O-N 2.69Å; I339-V342 HydrophobicContact CB-CB 4.23Å; I339-V342 HydrophobicContact CB-CG2 4.07Å; I339-V342 HydrophobicContact CG2-CB 4.24Å; I339-V342 HydrophobicContact CG2-CG2 3.67Å; I339-V342 PolarHBondContact O-N 2.94Å; I339-V342 VanDerWaalsContact O-N 3.15Å; I339-V359 HydrophobicContact CG2-CG2 4.15Å; I339-A378 HydrophobicContact CD1-CB 3.9Å; I339-I380 HydrophobicContact CG1-CG2 4.26Å; I339-V393 HydrophobicContact CG1-CG2 4.35Å
340	P	94.3	Very high	94.5	Very high	88 Å²	88	30.7 Å²	30.7	57%	0.571	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-31.4	-170.5	-25.7	35.1	0	0	0	115.1	W338 V342	W338-P340 WeakPolarHBondContact O-CD 3.2Å; P340-V342 VanDerWaalsContact C-N 3.3Å
341	E	96.1	Very high	94.2	Very high	45 Å²	45	31.7 Å²	31.7	21%	0.21	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-6.1	-176.1	-51.8	84.9	-176	0	0	113.1	I339 G355 R358 V359 R363	I339-E341 VanDerWaalsContact C-N 3.28Å; I339-E341 WeakPolarHBondContact CG2-OE2 3.34Å; I339-E341 PolarHBondContact O-N 2.69Å; E341-G355 WeakPolarHBondContact O-CA 3.47Å; E341-R358 HydrophobicContact CB-CB 4.18Å; E341-V359 HydrophobicContact CB-CG2 4.35Å; E341-R363 IonicContact OE1-CZ 3.56Å; E341-R363 IonicContact OE1-NE 3.86Å; E341-R363 PolarHBondContact OE1-NE 3.38Å; E341-R363 IonicContact OE1-NH2 3.1Å; E341-R363 PolarHBondContact OE1-NH2 2.76Å; E341-R363 IonicContact OE2-CZ 2.72Å; E341-R363 IonicContact OE2-NE 3.82Å; E341-R363 PolarHBondContact OE2-NE 3.46Å; E341-R363 IonicContact OE2-NH2 2.78Å
342	V	97.3	Very high	94	Very high	7 Å²	7	34.2 Å²	34.2	4%	0.042	19%	0.194	C	C	.	.			trans	-105.4	139	-179.7	-179	0	0	0	0	108.9	L314 A336 I339 P340 I353 E354 I356 V359	L314-V342 HydrophobicContact CD1-CG1 4.18Å; L314-V342 HydrophobicContact CD1-CG2 4.09Å; L314-V342 HydrophobicContact CD2-CG2 4.33Å; A336-V342 HydrophobicContact CB-CG1 3.62Å; I339-V342 HydrophobicContact CB-CB 4.23Å; I339-V342 HydrophobicContact CB-CG2 4.07Å; I339-V342 HydrophobicContact CG2-CB 4.24Å; I339-V342 HydrophobicContact CG2-CG2 3.67Å; I339-V342 PolarHBondContact O-N 2.94Å; I339-V342 VanDerWaalsContact O-N 3.15Å; P340-V342 VanDerWaalsContact C-N 3.3Å; V342-I353 HydrophobicContact CG1-CG2 3.43Å; V342-I353 VanDerWaalsContact CG1-CG2 3.43Å; V342-E354 WeakPolarHBondContact CA-O 3.26Å; V342-E354 WeakPolarHBondContact CG1-O 3.18Å; V342-I356 HydrophobicContact CG1-CD1 4.02Å; V342-I356 HydrophobicContact CG2-CD1 4.09Å; V342-V359 HydrophobicContact CG2-CG2 3.6Å
343	H	95	Very high	94.1	Very high	74 Å²	74	33.8 Å²	33.8	34%	0.343	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	171.4	179.9	60.2	90	0	0	0	111	E354	H343-E354 VanDerWaalsContact CE1-CB 3.48Å; H343-E354 WeakPolarHBondContact CE1-CB 3.4Å; H343-E354 IonicContact CE1-OE2 2.82Å; H343-E354 PolarHBondContact CE1-OE2 2.96Å; H343-E354 PolarHBondContact N-O 3.3Å; H343-E354 PolarHBondContact O-N 3.2Å
344	F	95.2	Very high	94	Very high	29 Å²	29	36.9 Å²	36.9	13%	0.127	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	137.6	171	-57	-78.7	0	0	0	108.9	V333 A336 L337 N346 L350 P352 I353	V333-F344 HydrophobicContact CG1-CE1 4.37Å; V333-F344 HydrophobicContact CG1-CZ 3.85Å; A336-F344 HydrophobicContact CB-CE1 3.81Å; A336-F344 HydrophobicContact CB-CE2 4.22Å; A336-F344 HydrophobicContact CB-CZ 3.57Å; L337-F344 HydrophobicContact CD2-CE2 3.71Å; L337-F344 HydrophobicContact CD2-CZ 4.43Å; L337-F344 HydrophobicContact CG-CE2 3.87Å; L337-F344 HydrophobicContact CG-CZ 4.14Å; F344-N346 VanDerWaalsContact C-N 3.3Å; F344-L350 HydrophobicContact CD1-CB 3.84Å; F344-L350 WeakPolarHBondContact CD1-O 3.44Å; F344-L350 HydrophobicContact CD2-CB 4.37Å; F344-L350 HydrophobicContact CD2-CD2 3.65Å; F344-L350 HydrophobicContact CE1-CB 3.89Å; F344-L350 WeakPolarHBondContact CE1-O 3.48Å; F344-L350 HydrophobicContact CE2-CB 4.44Å; F344-L350 HydrophobicContact CE2-CD2 3.92Å; F344-L350 HydrophobicContact CG-CB 4.07Å; F344-L350 HydrophobicContact CG-CD2 4.02Å; F344-L350 HydrophobicContact CZ-CB 4.2Å; F344-L350 HydrophobicContact CZ-CD2 4.48Å; F344-P352 WeakPolarHBondContact CA-O 3.21Å; F344-I353 HydrophobicContact CD1-CG1 3.77Å; F344-I353 HydrophobicContact CE1-CD1 4.13Å; F344-I353 HydrophobicContact CE1-CG1 3.59Å
345	A	90.9	Very high	94	Very high	53 Å²	53	36.7 Å²	36.7	44%	0.438	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	-38.6	173.8	0	0	0	0	0	111	P352 E354	A345-P352 HydrophobicContact CB-CG 3.9Å; A345-P352 PolarHBondContact N-O 3.23Å; A345-E354 HydrophobicContact CB-CG 4.15Å
346	N	89.3	Confident	94	Very high	65 Å²	65	36.8 Å²	36.8	35%	0.348	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	116	172.2	-167.9	-45.6	0	0	0	110.6	F344 V348 F349 L350 E351	F344-N346 VanDerWaalsContact C-N 3.3Å; N346-V348 VanDerWaalsContact C-N 3.3Å; N346-V348 PolarHBondContact O-N 3.25Å; N346-V348 WeakPolarHBondContact OD1-CB 2.88Å; N346-V348 PolarHBondContact OD1-N 2.77Å; N346-F349 WeakPolarHBondContact ND2-CD2 3.47Å; N346-F349 PolarHBondContact OD1-N 2.98Å; N346-L350 WeakPolarHBondContact O-CA 3.41Å; N346-L350 PolarHBondContact O-N 3.29Å; N346-E351 WeakPolarHBondContact CB-O 3.5Å; N346-E351 PolarHBondContact N-O 3.11Å; N346-E351 PolarHBondContact O-N 3.43Å
347	S	88.4	Confident	93.9	Very high	47 Å²	47	43.8 Å²	43.8	33%	0.329	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-16.1	-179.5	55.1	0	0	0	0	114.4	L350	S347-L350 WeakPolarHBondContact O-CD2 3.45Å
348	V	85.7	Confident	93.9	Very high	76 Å²	76	50.4 Å²	50.4	46%	0.461	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-44.2	178.1	176.1	0	0	0	0	110.8	G288 P290 N346	G288-V348 CarbonylContact C-O 3.55Å; G288-V348 VanDerWaalsContact CA-O 3.31Å; G288-V348 WeakPolarHBondContact CA-O 3.45Å; P290-V348 HydrophobicContact CB-CG1 4.18Å; P290-V348 HydrophobicContact CG-CG1 3.69Å; N346-V348 VanDerWaalsContact C-N 3.3Å; N346-V348 PolarHBondContact O-N 3.25Å; N346-V348 WeakPolarHBondContact OD1-CB 2.88Å; N346-V348 PolarHBondContact OD1-N 2.77Å
349	F	89.5	Confident	93.9	Very high	82 Å²	82	50.1 Å²	50.1	36%	0.36	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-10.7	179.3	-66.2	-93	0	0	0	113.5	G288 P290 K323 N346 E351	G288-F349 WeakPolarHBondContact O-CA 3.31Å; P290-F349 HydrophobicContact CG-CD1 3.72Å; P290-F349 HydrophobicContact CG-CD2 4.44Å; P290-F349 HydrophobicContact CG-CE1 3.55Å; P290-F349 HydrophobicContact CG-CE2 4.31Å; P290-F349 HydrophobicContact CG-CG 4.19Å; P290-F349 HydrophobicContact CG-CZ 3.88Å; K323-F349 PolarHBondContact NZ-O 2.79Å; N346-F349 WeakPolarHBondContact ND2-CD2 3.47Å; N346-F349 PolarHBondContact OD1-N 2.98Å; F349-E351 VanDerWaalsContact C-N 3.26Å; F349-E351 HydrophobicContact CB-CG 3.82Å; F349-E351 PolarHBondContact O-N 2.81Å
350	L	93.3	Very high	93.9	Very high	7 Å²	7	52.6 Å²	52.6	4%	0.037	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	44	-172.9	-55.8	-179.5	0	0	0	112.1	C286 V333 F344 N346 S347	C286-L350 WeakPolarHBondContact O-CD1 3.36Å; V333-L350 HydrophobicContact CG1-CD1 4.16Å; F344-L350 HydrophobicContact CD1-CB 3.84Å; F344-L350 WeakPolarHBondContact CD1-O 3.44Å; F344-L350 HydrophobicContact CD2-CB 4.37Å; F344-L350 HydrophobicContact CD2-CD2 3.65Å; F344-L350 HydrophobicContact CE1-CB 3.89Å; F344-L350 WeakPolarHBondContact CE1-O 3.48Å; F344-L350 HydrophobicContact CE2-CB 4.44Å; F344-L350 HydrophobicContact CE2-CD2 3.92Å; F344-L350 HydrophobicContact CG-CB 4.07Å; F344-L350 HydrophobicContact CG-CD2 4.02Å; F344-L350 HydrophobicContact CZ-CB 4.2Å; F344-L350 HydrophobicContact CZ-CD2 4.48Å; N346-L350 WeakPolarHBondContact O-CA 3.41Å; N346-L350 PolarHBondContact O-N 3.29Å; S347-L350 WeakPolarHBondContact O-CD2 3.45Å
351	E	90.7	Very high	94	Very high	46 Å²	46	52.6 Å²	52.6	22%	0.215	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	157.4	179	66.5	-168.7	-167.9	0	0	113	K300 K323 N346 F349	K300-E351 WeakPolarHBondContact CE-OE1 3.45Å; K300-E351 WeakPolarHBondContact CE-OE2 3.24Å; K300-E351 VanDerWaalsContact NZ-CD 3.32Å; K300-E351 IonicContact NZ-OE1 3.79Å; K300-E351 PolarHBondContact NZ-OE1 3.49Å; K300-E351 IonicContact NZ-OE2 3.77Å; K300-E351 PolarHBondContact NZ-OE2 3.31Å; K300-E351 VanDerWaalsContact NZ-OE2 3.1Å; K323-E351 HydrophobicContact CD-CB 4.39Å; K323-E351 IonicContact NZ-OE2 3.08Å; K323-E351 PolarHBondContact NZ-OE2 3.46Å; N346-E351 WeakPolarHBondContact CB-O 3.5Å; N346-E351 PolarHBondContact N-O 3.11Å; N346-E351 PolarHBondContact O-N 3.43Å; F349-E351 VanDerWaalsContact C-N 3.26Å; F349-E351 HydrophobicContact CB-CG 3.82Å; F349-E351 PolarHBondContact O-N 2.81Å
352	P	95	Very high	94	Very high	53 Å²	53	53.9 Å²	53.9	34%	0.344	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	cis	-63.3	165.8	-21.3	28.6	-38	0	0	0	112.4	F344 A345	F344-P352 WeakPolarHBondContact CA-O 3.21Å; A345-P352 HydrophobicContact CB-CG 3.9Å; A345-P352 PolarHBondContact N-O 3.23Å
353	I	98	Very high	94	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	129	171.1	-63.4	170.6	0	0	0	109.3	K323 Q324 T325 S326 A331 A336 V342 F344 I356	K323-I353 HydrophobicContact CB-CD1 3.87Å; K323-I353 HydrophobicContact CB-CG1 4.21Å; Q324-I353 PolarHBondContact O-N 3.07Å; T325-I353 CarbonylContact C-O 3.57Å; T325-I353 WeakPolarHBondContact CA-O 3.33Å; T325-I353 WeakPolarHBondContact CB-O 3.03Å; T325-I353 HydrophobicContact CG2-CB 3.93Å; T325-I353 HydrophobicContact CG2-CG2 4.07Å; S326-I353 PolarHBondContact N-O 3.01Å; A331-I353 HydrophobicContact CB-CD1 3.7Å; A331-I353 HydrophobicContact CB-CG2 4.44Å; A336-I353 HydrophobicContact CB-CD1 3.89Å; A336-I353 HydrophobicContact CB-CG1 4.02Å; A336-I353 HydrophobicContact CB-CG2 3.8Å; V342-I353 HydrophobicContact CG1-CG2 3.43Å; V342-I353 VanDerWaalsContact CG1-CG2 3.43Å; F344-I353 HydrophobicContact CD1-CG1 3.77Å; F344-I353 HydrophobicContact CE1-CD1 4.13Å; F344-I353 HydrophobicContact CE1-CG1 3.59Å; I353-I356 HydrophobicContact CG2-CD1 3.88Å
354	E	96.9	Very high	94	Very high	64 Å²	64	55.3 Å²	55.3	30%	0.299	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	171	-177.3	-67.4	-169.7	166	0	0	111.9	V342 H343 A345 I356	V342-E354 WeakPolarHBondContact CA-O 3.26Å; V342-E354 WeakPolarHBondContact CG1-O 3.18Å; H343-E354 VanDerWaalsContact CE1-CB 3.48Å; H343-E354 WeakPolarHBondContact CE1-CB 3.4Å; H343-E354 IonicContact CE1-OE2 2.82Å; H343-E354 PolarHBondContact CE1-OE2 2.96Å; H343-E354 PolarHBondContact N-O 3.3Å; H343-E354 PolarHBondContact O-N 3.2Å; A345-E354 HydrophobicContact CB-CG 4.15Å; E354-I356 VanDerWaalsContact C-N 3.35Å; E354-I356 PolarHBondContact O-N 3.32Å
355	G	96	Very high	94.1	Very high	2 Å²	2	60.4 Å²	60.4	2%	0.021	32%	0.315	C	S	.	.			trans	82.5	4.7	178.5	0	0	0	0	0	115.2	E341 H357 R358	E341-G355 WeakPolarHBondContact O-CA 3.47Å; G355-H357 PolarHBondContact O-N 3.22Å; G355-R358 WeakPolarHBondContact O-CA 3.44Å; G355-R358 WeakPolarHBondContact O-CB 3.29Å; G355-R358 PolarHBondContact O-N 2.88Å
356	I	96.3	Very high	94.4	Very high	3 Å²	3	60 Å²	60	2%	0.015	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-56.6	-36.3	179.4	-52.3	-64	0	0	0	112.8	L314 T325 R329 V342 I353 E354 R358 V359 R364	L314-I356 HydrophobicContact CD1-CD1 3.77Å; L314-I356 HydrophobicContact CD2-CD1 3.9Å; L314-I356 HydrophobicContact CD2-CG2 4.41Å; L314-I356 HydrophobicContact CG-CD1 4.01Å; T325-I356 HydrophobicContact CG2-CD1 3.91Å; T325-I356 HydrophobicContact CG2-CG1 3.74Å; R329-I356 VanDerWaalsContact NH2-CG2 3.26Å; V342-I356 HydrophobicContact CG1-CD1 4.02Å; V342-I356 HydrophobicContact CG2-CD1 4.09Å; I353-I356 HydrophobicContact CG2-CD1 3.88Å; E354-I356 VanDerWaalsContact C-N 3.35Å; E354-I356 PolarHBondContact O-N 3.32Å; I356-R358 VanDerWaalsContact C-N 3.29Å; I356-R358 PolarHBondContact O-N 2.92Å; I356-V359 WeakPolarHBondContact O-CG2 3.41Å; I356-V359 PolarHBondContact O-N 3.46Å; I356-R364 PolarHBondContact O-NH2 2.72Å
357	H	94.9	Very high	94.8	Very high	148 Å²	148	61.7 Å²	61.7	69%	0.685	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-72.9	-19.2	177.4	61.9	-90.4	0	0	0	113.1	G355 V359	G355-H357 PolarHBondContact O-N 3.22Å; H357-V359 VanDerWaalsContact C-N 3.34Å
358	R	96.1	Very high	95.3	Very high	158 Å²	158	59.5 Å²	59.5	60%	0.596	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-83.9	-11.7	178.5	-57.7	-176.5	179.2	175.7	-3.4	112.9	E341 G355 I356 P360	E341-R358 HydrophobicContact CB-CB 4.18Å; G355-R358 WeakPolarHBondContact O-CA 3.44Å; G355-R358 WeakPolarHBondContact O-CB 3.29Å; G355-R358 PolarHBondContact O-N 2.88Å; I356-R358 VanDerWaalsContact C-N 3.29Å; I356-R358 PolarHBondContact O-N 2.92Å; R358-P360 WeakPolarHBondContact O-CD 3.02Å
359	V	96.9	Very high	95.7	Very high	6 Å²	6	59.6 Å²	59.6	4%	0.036	29%	0.29	C	S	.	.	S	Bend	trans	-64.3	115.3	177.5	179.4	0	0	0	0	109.9	L314 I339 E341 V342 I356 H357 R363 R364 A378	L314-V359 HydrophobicContact CD2-CG2 4.39Å; I339-V359 HydrophobicContact CG2-CG2 4.15Å; E341-V359 HydrophobicContact CB-CG2 4.35Å; V342-V359 HydrophobicContact CG2-CG2 3.6Å; I356-V359 WeakPolarHBondContact O-CG2 3.41Å; I356-V359 PolarHBondContact O-N 3.46Å; H357-V359 VanDerWaalsContact C-N 3.34Å; V359-R363 HydrophobicContact CG1-CB 4.28Å; V359-R364 HydrophobicContact CG1-CG 4.17Å; V359-A378 HydrophobicContact CG1-CB 3.65Å
360	P	96.7	Very high	96	Very high	52 Å²	52	55.7 Å²	55.7	34%	0.338	27%	0.273	S	S	.	.			trans	-63.1	146.4	-173.5	-24.6	34.8	0	0	0	112.9	R358 A362 R363 R364	R358-P360 WeakPolarHBondContact O-CD 3.02Å; P360-A362 PolarHBondContact O-N 3.23Å; P360-A362 VanDerWaalsContact O-N 3.16Å; P360-R363 WeakPolarHBondContact O-CB 3.44Å; P360-R363 PolarHBondContact O-N 2.82Å; P360-R364 PolarHBondContact O-N 3.29Å
361	P	96.5	Very high	96.1	Very high	88 Å²	88	55.8 Å²	55.8	57%	0.571	28%	0.275	S	S	*	.	H	α-helix	trans	-56.2	-33.1	175.7	-25.9	34.3	0	0	0	113.2	R363 R364 R365	P361-R363 VanDerWaalsContact C-N 3.31Å; P361-R363 PolarHBondContact O-N 3.06Å; P361-R364 PolarHBondContact O-N 3.48Å; P361-R365 WeakPolarHBondContact O-CB 3.41Å; P361-R365 VanDerWaalsContact O-CG 3.3Å; P361-R365 WeakPolarHBondContact O-CG 3.38Å; P361-R365 PolarHBondContact O-N 3.1Å
362	A	96.4	Very high	96.3	Very high	72 Å²	72	58.4 Å²	58.4	60%	0.595	29%	0.285	S	S	*	.	H	α-helix	trans	-56.3	-44.8	175.7	0	0	0	0	0	111.8	P360 R364 R365 L366	P360-A362 PolarHBondContact O-N 3.23Å; P360-A362 VanDerWaalsContact O-N 3.16Å; A362-R364 VanDerWaalsContact C-N 3.33Å; A362-R364 PolarHBondContact O-N 3.07Å; A362-R365 PolarHBondContact O-N 2.78Å; A362-L366 PolarHBondContact O-N 3.05Å
363	R	96.4	Very high	96.2	Very high	47 Å²	47	59.1 Å²	59.1	18%	0.177	28%	0.284	C	S	.	.	H	α-helix	trans	-65.5	-35.7	179.6	-164	-178.2	-68.8	-66.7	-1.5	112.3	E341 V359 P360 P361 A378 C379	E341-R363 IonicContact OE1-CZ 3.56Å; E341-R363 IonicContact OE1-NE 3.86Å; E341-R363 PolarHBondContact OE1-NE 3.38Å; E341-R363 IonicContact OE1-NH2 3.1Å; E341-R363 PolarHBondContact OE1-NH2 2.76Å; E341-R363 IonicContact OE2-CZ 2.72Å; E341-R363 IonicContact OE2-NE 3.82Å; E341-R363 PolarHBondContact OE2-NE 3.46Å; E341-R363 IonicContact OE2-NH2 2.78Å; V359-R363 HydrophobicContact CG1-CB 4.28Å; P360-R363 WeakPolarHBondContact O-CB 3.44Å; P360-R363 PolarHBondContact O-N 2.82Å; P361-R363 VanDerWaalsContact C-N 3.31Å; P361-R363 PolarHBondContact O-N 3.06Å; R363-A378 HydrophobicContact CG-CB 4.09Å; R363-C379 WeakPolarHBondContact CD-O 3.26Å; R363-C379 WeakPolarHBondContact CG-O 3.33Å; R363-C379 PolarHBondContact NH1-O 3.02Å; R363-C379 PolarHBondContact O-N 3.02Å
364	R	96.1	Very high	96.1	Very high	63 Å²	63	65.7 Å²	65.7	24%	0.238	31%	0.309	C	S	.	.	H	α-helix	trans	-71.1	-33.7	177.5	-64.4	178.1	178	-101.9	-2.2	112.8	I356 V359 P360 P361 A362 L366 D375 G377	I356-R364 PolarHBondContact O-NH2 2.72Å; V359-R364 HydrophobicContact CG1-CG 4.17Å; P360-R364 PolarHBondContact O-N 3.29Å; P361-R364 PolarHBondContact O-N 3.48Å; A362-R364 VanDerWaalsContact C-N 3.33Å; A362-R364 PolarHBondContact O-N 3.07Å; R364-L366 VanDerWaalsContact C-N 3.34Å; R364-L366 PolarHBondContact O-N 3.07Å; R364-D375 VanDerWaalsContact O-CA 3.31Å; R364-D375 WeakPolarHBondContact O-CA 3.37Å; R364-D375 PolarHBondContact O-N 3.4Å; R364-D375 VanDerWaalsContact O-N 3.12Å; R364-G377 VanDerWaalsContact CA-O 3.24Å; R364-G377 WeakPolarHBondContact CA-O 3.35Å
365	R	96.4	Very high	96	Very high	137 Å²	137	67.7 Å²	67.7	52%	0.517	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-6.8	-179.2	-69.6	179.1	-172.1	-76.1	5.9	114.5	P361 A362 R374	P361-R365 WeakPolarHBondContact O-CB 3.41Å; P361-R365 VanDerWaalsContact O-CG 3.3Å; P361-R365 WeakPolarHBondContact O-CG 3.38Å; P361-R365 PolarHBondContact O-N 3.1Å; A362-R365 PolarHBondContact O-N 2.78Å; R365-R374 VanDerWaalsContact O-CG 3.27Å; R365-R374 WeakPolarHBondContact O-CG 3.41Å; R365-R374 PolarHBondContact O-NE 2.79Å
366	L	97.5	Very high	95.9	Very high	45 Å²	45	70.4 Å²	70.4	24%	0.236	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-64.7	144.4	174.5	-70.5	173.7	0	0	0	110.9	A362 R364 C379 Q381 A390	A362-L366 PolarHBondContact O-N 3.05Å; R364-L366 VanDerWaalsContact C-N 3.34Å; R364-L366 PolarHBondContact O-N 3.07Å; L366-C379 HydrophobicContact CB-CB 3.86Å; L366-C379 HydrophobicContact CD1-CB 4.02Å; L366-Q381 HydrophobicContact CD1-CG 4.02Å; L366-A390 HydrophobicContact CB-CB 3.91Å; L366-A390 HydrophobicContact CD1-CB 3.91Å; L366-A390 HydrophobicContact CD2-CB 4.29Å; L366-A390 HydrophobicContact CG-CB 4.25Å
367	I	97.6	Very high	95.8	Very high	100 Å²	100	70.6 Å²	70.6	51%	0.513	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-93.1	120.5	176.1	-55.6	175.8	0	0	0	108.1	Y369 R374	I367-Y369 PolarHBondContact O-N 3.25Å; I367-R374 HydrophobicContact CG1-CB 4.12Å; I367-R374 HydrophobicContact CG1-CG 4.08Å
368	C	97.7	Very high	96	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-66.2	124.7	176.7	171.7	0	0	0	0	110.7	I370 C371 K372 Q373 A390 H392	C368-I370 PolarHBondContact O-N 3.5Å; C368-C371 VanDerWaalsContact CB-SG 3.55Å; C368-C371 PolarHBondContact SG-N 3.29Å; C368-K372 WeakPolarHBondContact O-CA 3.33Å; C368-K372 PolarHBondContact O-N 3.22Å; C368-Q373 PolarHBondContact N-O 3.06Å; C368-A390 CarbonylContact C-O 3.47Å; C368-A390 WeakPolarHBondContact CA-O 3.35Å; C368-H392 VanDerWaalsContact CB-ND1 3.34Å; C368-H392 WeakPolarHBondContact CB-ND1 3.34Å; C368-H392 PolarHBondContact SG-N 2.88Å
369	Y	95.8	Very high	96	Very high	78 Å²	78	56.1 Å²	56.1	31%	0.306	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-32.9	-178.7	-175.8	-108.5	0	0	0	113.2	I367 K372 T389 A390 W401 I456	I367-Y369 PolarHBondContact O-N 3.25Å; Y369-K372 WeakPolarHBondContact O-CD 3.36Å; Y369-K372 WeakPolarHBondContact O-CE 3.37Å; Y369-K372 PolarHBondContact O-NZ 3.35Å; Y369-T389 HydrophobicContact CD1-CG2 4.03Å; Y369-T389 HydrophobicContact CD2-CG2 4.22Å; Y369-T389 HydrophobicContact CG-CG2 3.74Å; Y369-A390 WeakPolarHBondContact CB-O 3.38Å; Y369-A390 PolarHBondContact N-O 2.85Å; Y369-W401 AromaticContact CD1-CH2 3.68Å; Y369-W401 HydrophobicContact CD1-CH2 3.68Å; Y369-W401 HydrophobicContact CD1-CZ2 4.12Å; Y369-W401 HydrophobicContact CE1-CH2 4.27Å; Y369-W401 HydrophobicContact CE1-CZ2 4.47Å; Y369-I456 HydrophobicContact CD1-CD1 4.05Å; Y369-I456 HydrophobicContact CE1-CD1 3.33Å; Y369-I456 HydrophobicContact CE1-CG1 4.49Å
370	I	95.3	Very high	96.1	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-60.8	-177.7	-58.4	165.7	0	0	0	110.4	C368 F391 C395 A396 A399 W401 T459 R460 L463	C368-I370 PolarHBondContact O-N 3.5Å; I370-F391 HydrophobicContact CD1-CB 4.28Å; I370-C395 HydrophobicContact CB-CB 4.07Å; I370-C395 HydrophobicContact CD1-CB 3.91Å; I370-C395 WeakPolarHBondContact CD1-O 3.24Å; I370-C395 HydrophobicContact CG2-CB 4.23Å; I370-A396 HydrophobicContact CD1-CB 4.47Å; I370-A399 HydrophobicContact CD1-CB 3.85Å; I370-W401 HydrophobicContact CD1-CD2 4.09Å; I370-W401 HydrophobicContact CD1-CE3 4.21Å; I370-W401 HydrophobicContact CD1-CH2 4.2Å; I370-W401 HydrophobicContact CD1-CZ2 4.01Å; I370-W401 HydrophobicContact CD1-CZ3 4.28Å; I370-W401 HydrophobicContact CG1-CH2 4.11Å; I370-W401 HydrophobicContact CG1-CZ2 3.92Å; I370-T459 HydrophobicContact CG2-CG2 4.08Å; I370-R460 PolarHBondContact O-NE 3.45Å; I370-R460 PolarHBondContact O-NH2 2.86Å; I370-L463 HydrophobicContact CG2-CD1 4.06Å
371	C	94.5	Very high	96	Very high	10 Å²	10	57 Å²	57	7%	0.068	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-7.8	-174.8	72.8	0	0	0	0	115.4	C368 Q373 H392	C368-C371 VanDerWaalsContact CB-SG 3.55Å; C368-C371 PolarHBondContact SG-N 3.29Å; C371-Q373 PolarHBondContact O-N 2.91Å; C371-Q373 VanDerWaalsContact O-N 3.11Å; C371-H392 PolarHBondContact SG-ND1 3.39Å
372	K	95	Very high	96	Very high	101 Å²	101	53.3 Å²	53.3	44%	0.439	26%	0.255	S	S	.	.			trans	59.6	14	179.7	-56.1	-54.7	-164.7	-160.4	0	116.1	C368 Y369 R460	C368-K372 WeakPolarHBondContact O-CA 3.33Å; C368-K372 PolarHBondContact O-N 3.22Å; Y369-K372 WeakPolarHBondContact O-CD 3.36Å; Y369-K372 WeakPolarHBondContact O-CE 3.37Å; Y369-K372 PolarHBondContact O-NZ 3.35Å; K372-R460 VanDerWaalsContact CE-NH2 3.29Å; K372-R460 VanDerWaalsContact CG-CZ 3.46Å
373	Q	93.9	Very high	96	Very high	68 Å²	68	53.6 Å²	53.6	32%	0.318	25%	0.247	S	C	.	.			trans	-90.5	152.8	175.2	-64.5	179.7	-14.5	0	0	111.5	C368 C371 V376	C368-Q373 PolarHBondContact N-O 3.06Å; C371-Q373 PolarHBondContact O-N 2.91Å; C371-Q373 VanDerWaalsContact O-N 3.11Å; Q373-V376 HydrophobicContact CB-CG2 3.56Å
374	R	95	Very high	95.9	Very high	138 Å²	138	56.5 Å²	56.5	52%	0.521	26%	0.261	S	S	.	.			trans	-127	149.1	179.9	-169.8	-173.9	179.8	-157.3	-1.2	108.5	R365 I367 V376	R365-R374 VanDerWaalsContact O-CG 3.27Å; R365-R374 WeakPolarHBondContact O-CG 3.41Å; R365-R374 PolarHBondContact O-NE 2.79Å; I367-R374 HydrophobicContact CG1-CB 4.12Å; I367-R374 HydrophobicContact CG1-CG 4.08Å; R374-V376 PolarHBondContact O-N 2.87Å
375	D	94.4	Very high	95.7	Very high	105 Å²	105	57.7 Å²	57.7	56%	0.561	28%	0.278	S	S	*	.	S	Bend	trans	62	23.7	170.4	-148.8	33.2	0	0	0	115.3	R364	R364-D375 VanDerWaalsContact O-CA 3.31Å; R364-D375 WeakPolarHBondContact O-CA 3.37Å; R364-D375 PolarHBondContact O-N 3.4Å; R364-D375 VanDerWaalsContact O-N 3.12Å
376	V	94.1	Very high	95.6	Very high	60 Å²	60	57.9 Å²	57.9	36%	0.364	29%	0.29	S	S	.	.	S	Bend	trans	-117.8	25.6	-179.7	-67.7	0	0	0	0	112.2	C315 P316 Q373 R374	C315-V376 CarbonylContact C-O 3.57Å; C315-V376 VanDerWaalsContact C-O 3.31Å; C315-V376 WeakPolarHBondContact CA-O 3.33Å; P316-V376 HydrophobicContact CB-CB 4.11Å; P316-V376 HydrophobicContact CB-CG2 3.85Å; P316-V376 HydrophobicContact CG-CG2 3.82Å; Q373-V376 HydrophobicContact CB-CG2 3.56Å; R374-V376 PolarHBondContact O-N 2.87Å
377	G	95.8	Very high	95.5	Very high	6 Å²	6	56.5 Å²	56.5	6%	0.062	28%	0.284	C	S	.	.	S	Bend	trans	149.8	-160.1	-172.7	0	0	0	0	0	112	L314 R364	L314-G377 CarbonylContact O-C 3.6Å; L314-G377 VanDerWaalsContact O-CA 3.24Å; L314-G377 WeakPolarHBondContact O-CA 3.46Å; R364-G377 VanDerWaalsContact CA-O 3.24Å; R364-G377 WeakPolarHBondContact CA-O 3.35Å
378	A	97.2	Very high	95.4	Very high	1 Å²	1	60 Å²	60	1%	0.008	29%	0.292	C	S	.	.			trans	-127.2	126.1	-179.5	0	0	0	0	0	110.5	L314 I339 V359 R363	L314-A378 HydrophobicContact CD2-CB 4.44Å; L314-A378 PolarHBondContact O-N 2.83Å; I339-A378 HydrophobicContact CD1-CB 3.9Å; V359-A378 HydrophobicContact CG1-CB 3.65Å; R363-A378 HydrophobicContact CG-CB 4.09Å
379	C	97.9	Very high	95.3	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.007	30%	0.302	C	S	.	.			trans	-90.8	147.6	178.9	-68.3	0	0	0	0	112.4	R363 L366 A390 F391	R363-C379 WeakPolarHBondContact CD-O 3.26Å; R363-C379 WeakPolarHBondContact CG-O 3.33Å; R363-C379 PolarHBondContact NH1-O 3.02Å; R363-C379 PolarHBondContact O-N 3.02Å; L366-C379 HydrophobicContact CB-CB 3.86Å; L366-C379 HydrophobicContact CD1-CB 4.02Å; C379-A390 HydrophobicContact CB-CB 4.03Å; C379-F391 CarbonylContact C-O 3.5Å; C379-F391 WeakPolarHBondContact CA-O 3.3Å
380	I	97.1	Very high	95.4	Very high	8 Å²	8	58.2 Å²	58.2	4%	0.041	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	164.1	160.7	58.6	167.6	0	0	0	109.1	W338 I339 A390 F391 V393	W338-I380 HydrophobicContact CB-CD1 4.45Å; W338-I380 HydrophobicContact CE3-CD1 4.32Å; I339-I380 HydrophobicContact CG1-CG2 4.26Å; I380-A390 CarbonylContact O-C 3.49Å; I380-A390 VanDerWaalsContact O-CA 3.3Å; I380-A390 WeakPolarHBondContact O-CA 3.37Å; I380-F391 HydrophobicContact CD1-CD2 4.23Å; I380-F391 HydrophobicContact CD1-CE2 3.67Å; I380-F391 HydrophobicContact CG1-CD2 3.8Å; I380-F391 HydrophobicContact CG1-CE2 3.62Å; I380-F391 HydrophobicContact CG1-CZ 4.41Å; I380-F391 PolarHBondContact N-O 3.12Å; I380-F391 PolarHBondContact O-N 3.22Å; I380-V393 HydrophobicContact CD1-CG2 3.95Å; I380-V393 HydrophobicContact CG1-CG2 4.1Å; I380-V393 HydrophobicContact CG2-CG2 4.18Å
381	Q	96.1	Very high	95.5	Very high	70 Å²	70	58.2 Å²	58.2	33%	0.327	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	152	-179.4	-69.7	179.4	-73.6	0	0	110.3	L366 N383 Y388 T389 A390 S421	L366-Q381 HydrophobicContact CD1-CG 4.02Å; Q381-N383 PolarHBondContact O-N 3.02Å; Q381-Y388 PolarHBondContact NE2-O 3.15Å; Q381-Y388 VanDerWaalsContact NE2-O 3.09Å; Q381-T389 WeakPolarHBondContact CA-O 3.41Å; Q381-A390 HydrophobicContact CG-CB 3.91Å; Q381-S421 PolarHBondContact O-OG 2.97Å; Q381-S421 VanDerWaalsContact O-OG 3.14Å
382	C	97	Very high	95.7	Very high	10 Å²	10	57.9 Å²	57.9	7%	0.068	29%	0.287	C	S	.	.			trans	-54.3	133	175.7	-179	0	0	0	0	111.5	K384 C387 T389 F391 S421 C423	C382-K384 VanDerWaalsContact C-N 3.27Å; C382-K384 PolarHBondContact O-N 3.33Å; C382-C387 HydrophobicContact CB-CB 4.03Å; C382-T389 PolarHBondContact N-O 3.21Å; C382-T389 VanDerWaalsContact N-O 3.07Å; C382-F391 HydrophobicContact CB-CE1 4.35Å; C382-S421 CarbonylContact C-O 3.58Å; C382-S421 WeakPolarHBondContact CA-O 3.37Å; C382-C423 HydrophobicContact CB-CB 4.34Å; C382-C423 PolarHBondContact SG-N 3.33Å
383	N	94.9	Very high	95.8	Very high	77 Å²	77	53.1 Å²	53.1	41%	0.412	27%	0.266	S	S	.	.	S	Bend	trans	-72.7	-15.7	179.5	-74	68.3	0	0	0	113.6	Q381 S385 K419 S421 L422	Q381-N383 PolarHBondContact O-N 3.02Å; N383-S385 PolarHBondContact O-N 3.09Å; N383-K419 PolarHBondContact ND2-O 2.65Å; N383-S421 PolarHBondContact N-O 3.28Å; N383-S421 WeakPolarHBondContact OD1-CA 3.48Å; N383-S421 PolarHBondContact OD1-N 3.23Å; N383-S421 PolarHBondContact OD1-O 3.04Å; N383-S421 VanDerWaalsContact OD1-O 3.07Å; N383-S421 PolarHBondContact OD1-OG 2.92Å; N383-L422 HydrophobicContact CB-CD2 4.38Å
384	K	94	Very high	95.9	Very high	109 Å²	109	50.6 Å²	50.6	47%	0.474	26%	0.256	S	S	.	.	S	Bend	trans	-61.7	129.7	176.7	-178.4	64.8	176.9	-179.9	0	109.7	C382 N386 C387 L422 H426	C382-K384 VanDerWaalsContact C-N 3.27Å; C382-K384 PolarHBondContact O-N 3.33Å; K384-N386 PolarHBondContact O-N 2.8Å; K384-C387 HydrophobicContact CB-CB 4.04Å; K384-C387 HydrophobicContact CG-CB 4.47Å; K384-C387 VanDerWaalsContact O-CB 3.29Å; K384-C387 WeakPolarHBondContact O-CB 3.48Å; K384-C387 PolarHBondContact O-N 2.92Å; K384-L422 HydrophobicContact CB-CD2 4.44Å; K384-H426 HydrophobicContact CB-CB 4.16Å; K384-H426 HydrophobicContact CG-CB 4.47Å
385	S	93.2	Very high	95.9	Very high	87 Å²	87	44 Å²	44	61%	0.608	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.3	138.5	174.9	53.1	0	0	0	0	111.4	N383 C387	N383-S385 PolarHBondContact O-N 3.09Å; S385-C387 PolarHBondContact O-N 2.85Å
386	N	93.2	Very high	95.9	Very high	141 Å²	141	39 Å²	39	75%	0.754	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.6	13.5	-176.3	-55.2	-28.5	0	0	0	115.7	K384	K384-N386 PolarHBondContact O-N 2.8Å
387	C	96.1	Very high	95.9	Very high	16 Å²	16	37.2 Å²	37.2	11%	0.108	19%	0.193	C	C	.	.			trans	-105.4	102	172.7	-169.4	0	0	0	0	111.8	C382 K384 S385 T389 H426	C382-C387 HydrophobicContact CB-CB 4.03Å; K384-C387 HydrophobicContact CB-CB 4.04Å; K384-C387 HydrophobicContact CG-CB 4.47Å; K384-C387 VanDerWaalsContact O-CB 3.29Å; K384-C387 WeakPolarHBondContact O-CB 3.48Å; K384-C387 PolarHBondContact O-N 2.92Å; S385-C387 PolarHBondContact O-N 2.85Å; C387-T389 VanDerWaalsContact C-N 3.27Å; C387-T389 PolarHBondContact O-N 3.04Å; C387-T389 PolarHBondContact SG-OG1 3.15Å; C387-H426 PolarHBondContact SG-CE1 3.41Å; C387-H426 PolarHBondContact SG-ND1 2.79Å
388	Y	95.5	Very high	95.7	Very high	174 Å²	174	39.5 Å²	39.5	68%	0.682	21%	0.207	S	C	*	.			trans	-88.9	13.9	179.6	-57.3	-75.3	0	0	0	114.1	Q381 A390	Q381-Y388 PolarHBondContact NE2-O 3.15Å; Q381-Y388 VanDerWaalsContact NE2-O 3.09Å; Y388-A390 PolarHBondContact O-N 2.82Å; Y388-A390 VanDerWaalsContact O-N 3.07Å
389	T	96.5	Very high	95.4	Very high	35 Å²	35	39.6 Å²	39.6	22%	0.215	21%	0.208	C	C	.	.			trans	-59.6	114	-179.8	-56	0	0	0	0	109.9	Y369 Q381 C382 C387 F391 W401 C423	Y369-T389 HydrophobicContact CD1-CG2 4.03Å; Y369-T389 HydrophobicContact CD2-CG2 4.22Å; Y369-T389 HydrophobicContact CG-CG2 3.74Å; Q381-T389 WeakPolarHBondContact CA-O 3.41Å; C382-T389 PolarHBondContact N-O 3.21Å; C382-T389 VanDerWaalsContact N-O 3.07Å; C387-T389 VanDerWaalsContact C-N 3.27Å; C387-T389 PolarHBondContact O-N 3.04Å; C387-T389 PolarHBondContact SG-OG1 3.15Å; T389-F391 HydrophobicContact CG2-CD1 4.36Å; T389-F391 WeakPolarHBondContact O-CE1 3.47Å; T389-W401 HydrophobicContact CG2-CH2 4.33Å; T389-W401 HydrophobicContact CG2-CZ3 4.47Å; T389-C423 HydrophobicContact CG2-CB 4.06Å
390	A	97.6	Very high	95	Very high	6 Å²	6	45.5 Å²	45.5	5%	0.05	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	144.1	-178	0	0	0	0	0	111.8	L366 C368 Y369 C379 I380 Q381 Y388	L366-A390 HydrophobicContact CB-CB 3.91Å; L366-A390 HydrophobicContact CD1-CB 3.91Å; L366-A390 HydrophobicContact CD2-CB 4.29Å; L366-A390 HydrophobicContact CG-CB 4.25Å; C368-A390 CarbonylContact C-O 3.47Å; C368-A390 WeakPolarHBondContact CA-O 3.35Å; Y369-A390 WeakPolarHBondContact CB-O 3.38Å; Y369-A390 PolarHBondContact N-O 2.85Å; C379-A390 HydrophobicContact CB-CB 4.03Å; I380-A390 CarbonylContact O-C 3.49Å; I380-A390 VanDerWaalsContact O-CA 3.3Å; I380-A390 WeakPolarHBondContact O-CA 3.37Å; Q381-A390 HydrophobicContact CG-CB 3.91Å; Y388-A390 PolarHBondContact O-N 2.82Å; Y388-A390 VanDerWaalsContact O-N 3.07Å
391	F	97.9	Very high	94.8	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	150.3	178.8	44.7	-90.9	0	0	0	112.3	I370 C379 I380 C382 T389 A396 W401 L403 C423	I370-F391 HydrophobicContact CD1-CB 4.28Å; C379-F391 CarbonylContact C-O 3.5Å; C379-F391 WeakPolarHBondContact CA-O 3.3Å; I380-F391 HydrophobicContact CD1-CD2 4.23Å; I380-F391 HydrophobicContact CD1-CE2 3.67Å; I380-F391 HydrophobicContact CG1-CD2 3.8Å; I380-F391 HydrophobicContact CG1-CE2 3.62Å; I380-F391 HydrophobicContact CG1-CZ 4.41Å; I380-F391 PolarHBondContact N-O 3.12Å; I380-F391 PolarHBondContact O-N 3.22Å; C382-F391 HydrophobicContact CB-CE1 4.35Å; T389-F391 HydrophobicContact CG2-CD1 4.36Å; T389-F391 WeakPolarHBondContact O-CE1 3.47Å; F391-A396 HydrophobicContact CD2-CB 3.45Å; F391-A396 VanDerWaalsContact CD2-CB 3.45Å; F391-A396 HydrophobicContact CE2-CB 3.72Å; F391-A396 HydrophobicContact CG-CB 4.32Å; F391-W401 HydrophobicContact CB-CZ3 4.37Å; F391-W401 AromaticContact CD1-CE3 3.89Å; F391-W401 HydrophobicContact CD1-CE3 3.89Å; F391-W401 HydrophobicContact CD1-CH2 4.37Å; F391-W401 AromaticContact CD1-CZ3 3.32Å; F391-W401 HydrophobicContact CD1-CZ3 3.32Å; F391-W401 HydrophobicContact CD2-CE3 4.32Å; F391-W401 HydrophobicContact CD2-CZ3 4.49Å; F391-W401 AromaticContact CE1-CE3 3.89Å; F391-W401 HydrophobicContact CE1-CE3 3.89Å; F391-W401 AromaticContact CE1-CZ3 3.56Å; F391-W401 HydrophobicContact CE1-CZ3 3.56Å; F391-W401 HydrophobicContact CE2-CE3 4.28Å; F391-W401 HydrophobicContact CG-CE3 4.08Å; F391-W401 AromaticContact CG-CZ3 3.81Å; F391-W401 HydrophobicContact CG-CZ3 3.81Å; F391-W401 HydrophobicContact CZ-CE3 4.07Å; F391-W401 HydrophobicContact CZ-CZ3 4.22Å; F391-L403 HydrophobicContact CE2-CD1 4.47Å; F391-C423 HydrophobicContact CE1-CB 4.49Å
392	H	97.8	Very high	94.7	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.009	24%	0.24	C	C	.	.			trans	-69.5	141.3	167.4	-59.1	112.4	0	0	0	109.5	C315 C368 C371 T394 C395 A396	C315-H392 HydrophobicContact CB-CB 4.05Å; C368-H392 VanDerWaalsContact CB-ND1 3.34Å; C368-H392 WeakPolarHBondContact CB-ND1 3.34Å; C368-H392 PolarHBondContact SG-N 2.88Å; C371-H392 PolarHBondContact SG-ND1 3.39Å; H392-T394 VanDerWaalsContact C-N 3.33Å; H392-T394 PolarHBondContact O-N 3.25Å; H392-C395 HydrophobicContact CB-CB 4.09Å; H392-C395 WeakPolarHBondContact O-CB 3.29Å; H392-C395 PolarHBondContact O-N 2.87Å; H392-A396 PolarHBondContact O-N 3.17Å
393	V	96.9	Very high	94.5	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.006	24%	0.244	C	C	.	.	H	α-helix	trans	-52.5	-50.8	179.9	-179	0	0	0	0	111.3	A334 W338 I339 I380 C395 A396 L397 L403	A334-V393 HydrophobicContact CB-CG1 4.35Å; W338-V393 HydrophobicContact CB-CB 4.24Å; W338-V393 HydrophobicContact CB-CG1 3.67Å; W338-V393 HydrophobicContact CB-CG2 3.5Å; W338-V393 VanDerWaalsContact CB-CG2 3.5Å; W338-V393 HydrophobicContact CG-CG1 3.67Å; W338-V393 HydrophobicContact CG-CG2 4.37Å; I339-V393 HydrophobicContact CG1-CG2 4.35Å; I380-V393 HydrophobicContact CD1-CG2 3.95Å; I380-V393 HydrophobicContact CG1-CG2 4.1Å; I380-V393 HydrophobicContact CG2-CG2 4.18Å; V393-C395 VanDerWaalsContact C-N 3.32Å; V393-C395 PolarHBondContact O-N 3.42Å; V393-A396 WeakPolarHBondContact O-CB 3.47Å; V393-A396 PolarHBondContact O-N 2.99Å; V393-A396 VanDerWaalsContact O-N 3.12Å; V393-L397 HydrophobicContact CG1-CD1 4.24Å; V393-L397 WeakPolarHBondContact O-CG 3.31Å; V393-L397 PolarHBondContact O-N 3.23Å; V393-L403 HydrophobicContact CG1-CD2 4.09Å
394	T	95.3	Very high	94.3	Very high	15 Å²	15	47.1 Å²	47.1	9%	0.092	24%	0.242	C	C	.	.	H	α-helix	trans	-67.6	-29.1	-179.8	48.9	0	0	0	0	113.4	C315 N317 H332 H392 S398	C315-T394 PolarHBondContact SG-OG1 3.19Å; N317-T394 PolarHBondContact ND2-OG1 2.97Å; H332-T394 HydrophobicContact CB-CG2 4.2Å; H392-T394 VanDerWaalsContact C-N 3.33Å; H392-T394 PolarHBondContact O-N 3.25Å; T394-S398 WeakPolarHBondContact O-CB 3.46Å; T394-S398 PolarHBondContact O-N 3.43Å; T394-S398 PolarHBondContact O-OG 3.12Å
395	C	95.9	Very high	94	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-67	-41.7	171.1	-69	0	0	0	0	111.1	N317 I370 H392 V393 S398 A399 L463	N317-C395 PolarHBondContact ND2-SG 3.45Å; N317-C395 VanDerWaalsContact ND2-SG 3.38Å; I370-C395 HydrophobicContact CB-CB 4.07Å; I370-C395 HydrophobicContact CD1-CB 3.91Å; I370-C395 WeakPolarHBondContact CD1-O 3.24Å; I370-C395 HydrophobicContact CG2-CB 4.23Å; H392-C395 HydrophobicContact CB-CB 4.09Å; H392-C395 WeakPolarHBondContact O-CB 3.29Å; H392-C395 PolarHBondContact O-N 2.87Å; V393-C395 VanDerWaalsContact C-N 3.32Å; V393-C395 PolarHBondContact O-N 3.42Å; C395-S398 PolarHBondContact O-N 2.87Å; C395-A399 WeakPolarHBondContact O-CB 3.11Å; C395-A399 PolarHBondContact O-N 2.9Å; C395-L463 HydrophobicContact CB-CD1 4.08Å
396	A	95.4	Very high	93.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-66.5	-43	178.9	0	0	0	0	0	111.8	I370 F391 H392 V393 S398 A399 N400 W401 L403	I370-A396 HydrophobicContact CD1-CB 4.47Å; F391-A396 HydrophobicContact CD2-CB 3.45Å; F391-A396 VanDerWaalsContact CD2-CB 3.45Å; F391-A396 HydrophobicContact CE2-CB 3.72Å; F391-A396 HydrophobicContact CG-CB 4.32Å; H392-A396 PolarHBondContact O-N 3.17Å; V393-A396 WeakPolarHBondContact O-CB 3.47Å; V393-A396 PolarHBondContact O-N 2.99Å; V393-A396 VanDerWaalsContact O-N 3.12Å; A396-S398 VanDerWaalsContact C-N 3.34Å; A396-S398 PolarHBondContact O-N 2.97Å; A396-A399 CarbonylContact O-C 3.55Å; A396-A399 PolarHBondContact O-N 3.22Å; A396-N400 PolarHBondContact O-N 2.76Å; A396-W401 HydrophobicContact CB-CB 4.13Å; A396-W401 HydrophobicContact CB-CE3 4.25Å; A396-W401 HydrophobicContact CB-CG 4.49Å; A396-W401 WeakPolarHBondContact O-CB 3.24Å; A396-W401 PolarHBondContact O-N 3.3Å; A396-L403 HydrophobicContact CB-CD1 3.71Å; A396-L403 HydrophobicContact CB-CD2 4.34Å
397	L	93.1	Very high	93	Very high	23 Å²	23	38.9 Å²	38.9	12%	0.12	19%	0.193	C	C	.	.	H	α-helix	trans	-59.1	-45.2	172.8	-68	173.2	0	0	0	111.3	A334 V393 A399 N400 L403	A334-L397 HydrophobicContact CB-CD1 3.77Å; V393-L397 HydrophobicContact CG1-CD1 4.24Å; V393-L397 WeakPolarHBondContact O-CG 3.31Å; V393-L397 PolarHBondContact O-N 3.23Å; L397-A399 PolarHBondContact O-N 3.37Å; L397-N400 PolarHBondContact O-N 3.06Å; L397-L403 HydrophobicContact CD2-CB 4.43Å; L397-L403 HydrophobicContact CD2-CD2 4Å; L397-L403 HydrophobicContact CG-CD2 4.18Å
398	S	90.9	Very high	92.3	Very high	53 Å²	53	39.6 Å²	39.6	37%	0.371	20%	0.203	S	C	.	.	H	α-helix	trans	-67.4	-24.6	178.1	-57.3	0	0	0	0	113.6	T394 C395 A396 N400	T394-S398 WeakPolarHBondContact O-CB 3.46Å; T394-S398 PolarHBondContact O-N 3.43Å; T394-S398 PolarHBondContact O-OG 3.12Å; C395-S398 PolarHBondContact O-N 2.87Å; A396-S398 VanDerWaalsContact C-N 3.34Å; A396-S398 PolarHBondContact O-N 2.97Å; S398-N400 VanDerWaalsContact C-N 3.27Å
399	A	92	Very high	91.6	Very high	4 Å²	4	40.6 Å²	40.6	3%	0.033	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	1.5	173.9	0	0	0	0	0	112.9	I370 C395 A396 L397 W401 T459	I370-A399 HydrophobicContact CD1-CB 3.85Å; C395-A399 WeakPolarHBondContact O-CB 3.11Å; C395-A399 PolarHBondContact O-N 2.9Å; A396-A399 CarbonylContact O-C 3.55Å; A396-A399 PolarHBondContact O-N 3.22Å; L397-A399 PolarHBondContact O-N 3.37Å; A399-W401 VanDerWaalsContact C-N 3.3Å; A399-W401 VanDerWaalsContact CB-CD1 3.42Å; A399-W401 HydrophobicContact CB-CD2 4.49Å; A399-W401 HydrophobicContact CB-CG 4.08Å; A399-W401 VanDerWaalsContact O-CD1 3.31Å; A399-W401 PolarHBondContact O-N 3.35Å; A399-T459 HydrophobicContact CB-CG2 3.85Å
400	N	90	Very high	90.4	Very high	124 Å²	124	43.4 Å²	43.4	66%	0.663	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	42	-173.2	-154.4	39	0	0	0	113.4	N262 A396 L397 S398	N262-N400 PolarHBondContact ND2-OD1 3.28Å; A396-N400 PolarHBondContact O-N 2.76Å; L397-N400 PolarHBondContact O-N 3.06Å; S398-N400 VanDerWaalsContact C-N 3.27Å
401	W	92.8	Very high	89.6	Confident	18 Å²	18	51.6 Å²	51.6	7%	0.068	26%	0.262	C	S	.	.			trans	-78.1	156.5	176.9	-73	12.3	0	0	0	111.7	Y369 I370 T389 F391 A396 A399 L403 C423 D424 I456	Y369-W401 AromaticContact CD1-CH2 3.68Å; Y369-W401 HydrophobicContact CD1-CH2 3.68Å; Y369-W401 HydrophobicContact CD1-CZ2 4.12Å; Y369-W401 HydrophobicContact CE1-CH2 4.27Å; Y369-W401 HydrophobicContact CE1-CZ2 4.47Å; I370-W401 HydrophobicContact CD1-CD2 4.09Å; I370-W401 HydrophobicContact CD1-CE3 4.21Å; I370-W401 HydrophobicContact CD1-CH2 4.2Å; I370-W401 HydrophobicContact CD1-CZ2 4.01Å; I370-W401 HydrophobicContact CD1-CZ3 4.28Å; I370-W401 HydrophobicContact CG1-CH2 4.11Å; I370-W401 HydrophobicContact CG1-CZ2 3.92Å; T389-W401 HydrophobicContact CG2-CH2 4.33Å; T389-W401 HydrophobicContact CG2-CZ3 4.47Å; F391-W401 HydrophobicContact CB-CZ3 4.37Å; F391-W401 AromaticContact CD1-CE3 3.89Å; F391-W401 HydrophobicContact CD1-CE3 3.89Å; F391-W401 HydrophobicContact CD1-CH2 4.37Å; F391-W401 AromaticContact CD1-CZ3 3.32Å; F391-W401 HydrophobicContact CD1-CZ3 3.32Å; F391-W401 HydrophobicContact CD2-CE3 4.32Å; F391-W401 HydrophobicContact CD2-CZ3 4.49Å; F391-W401 AromaticContact CE1-CE3 3.89Å; F391-W401 HydrophobicContact CE1-CE3 3.89Å; F391-W401 AromaticContact CE1-CZ3 3.56Å; F391-W401 HydrophobicContact CE1-CZ3 3.56Å; F391-W401 HydrophobicContact CE2-CE3 4.28Å; F391-W401 HydrophobicContact CG-CE3 4.08Å; F391-W401 AromaticContact CG-CZ3 3.81Å; F391-W401 HydrophobicContact CG-CZ3 3.81Å; F391-W401 HydrophobicContact CZ-CE3 4.07Å; F391-W401 HydrophobicContact CZ-CZ3 4.22Å; A396-W401 HydrophobicContact CB-CB 4.13Å; A396-W401 HydrophobicContact CB-CE3 4.25Å; A396-W401 HydrophobicContact CB-CG 4.49Å; A396-W401 WeakPolarHBondContact O-CB 3.24Å; A396-W401 PolarHBondContact O-N 3.3Å; A399-W401 VanDerWaalsContact C-N 3.3Å; A399-W401 VanDerWaalsContact CB-CD1 3.42Å; A399-W401 HydrophobicContact CB-CD2 4.49Å; A399-W401 HydrophobicContact CB-CG 4.08Å; A399-W401 VanDerWaalsContact O-CD1 3.31Å; A399-W401 PolarHBondContact O-N 3.35Å; W401-L403 HydrophobicContact CB-CD1 4.05Å; W401-L403 PolarHBondContact O-N 3.47Å; W401-C423 HydrophobicContact CE3-CB 4.11Å; W401-C423 HydrophobicContact CH2-CB 3.73Å; W401-C423 VanDerWaalsContact CZ3-CA 3.48Å; W401-C423 HydrophobicContact CZ3-CB 3.46Å; W401-C423 VanDerWaalsContact CZ3-CB 3.46Å; W401-D424 HydrophobicContact CZ2-CB 3.82Å; W401-I456 HydrophobicContact CZ2-CD1 4.35Å; W401-I456 HydrophobicContact CZ2-CG1 4.38Å
402	H	92.4	Very high	88.6	Confident	65 Å²	65	56 Å²	56	30%	0.301	29%	0.293	S	S	.	.			trans	-75.5	97.9	-175.3	-168.3	76.1	0	0	0	111.5	S421 L422	H402-S421 WeakPolarHBondContact O-CA 3.46Å; H402-L422 HydrophobicContact CB-CB 4.35Å; H402-L422 PolarHBondContact O-N 3.14Å
403	L	93.6	Very high	87.6	Confident	30 Å²	30	63.4 Å²	63.4	16%	0.157	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	105.1	173.9	-88.9	73.2	0	0	0	107.8	W338 F391 V393 A396 L397 W401	W338-L403 HydrophobicContact CD2-CD2 4Å; W338-L403 HydrophobicContact CD2-CG 4.48Å; W338-L403 HydrophobicContact CE3-CD2 4.4Å; W338-L403 HydrophobicContact CG-CD2 4.39Å; W338-L403 HydrophobicContact CH2-CB 3.76Å; W338-L403 HydrophobicContact CH2-CG 4.13Å; W338-L403 HydrophobicContact CZ2-CB 3.52Å; W338-L403 HydrophobicContact CZ2-CD2 4.2Å; W338-L403 HydrophobicContact CZ2-CG 4.08Å; W338-L403 HydrophobicContact CZ3-CB 4.43Å; W338-L403 HydrophobicContact CZ3-CG 4.32Å; F391-L403 HydrophobicContact CE2-CD1 4.47Å; V393-L403 HydrophobicContact CG1-CD2 4.09Å; A396-L403 HydrophobicContact CB-CD1 3.71Å; A396-L403 HydrophobicContact CB-CD2 4.34Å; L397-L403 HydrophobicContact CD2-CB 4.43Å; L397-L403 HydrophobicContact CD2-CD2 4Å; L397-L403 HydrophobicContact CG-CD2 4.18Å; W401-L403 HydrophobicContact CB-CD1 4.05Å; W401-L403 PolarHBondContact O-N 3.47Å
404	K	89.5	Confident	86.6	Confident	87 Å²	87	68.9 Å²	68.9	38%	0.378	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	136	-176	-169	-177.9	177.7	-160.4	0	112.3	E406 T420	K404-E406 HydrophobicContact CD-CG 4.04Å; K404-E406 WeakPolarHBondContact CE-OE1 3.35Å; K404-E406 HydrophobicContact CG-CG 4.16Å; K404-E406 IonicContact NZ-OE1 2.71Å; K404-E406 PolarHBondContact NZ-OE1 3.29Å; K404-T420 PolarHBondContact N-O 3Å; K404-T420 PolarHBondContact O-N 2.85Å
405	F	87.7	Confident	85.9	Confident	20 Å²	20	71.5 Å²	71.5	9%	0.088	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	129.1	166	-62.6	-81.2	0	0	0	109.2	L337 W338 V417 K419 F800	L337-F405 HydrophobicContact CB-CZ 4.33Å; W338-F405 HydrophobicContact CD2-CE1 4.46Å; W338-F405 AromaticContact CD2-CZ 3.97Å; W338-F405 HydrophobicContact CD2-CZ 3.97Å; W338-F405 AromaticContact CE2-CE2 3.57Å; W338-F405 AromaticContact CE2-CZ 3.32Å; W338-F405 HydrophobicContact CG-CZ 4.37Å; W338-F405 HydrophobicContact CH2-CE1 4.35Å; W338-F405 HydrophobicContact CH2-CE2 4.3Å; W338-F405 HydrophobicContact CH2-CZ 4.21Å; W338-F405 HydrophobicContact CZ2-CD1 4.49Å; W338-F405 AromaticContact CZ2-CD2 3.88Å; W338-F405 HydrophobicContact CZ2-CD2 3.88Å; W338-F405 HydrophobicContact CZ2-CE1 4.04Å; W338-F405 AromaticContact CZ2-CE2 3.37Å; W338-F405 HydrophobicContact CZ2-CE2 3.37Å; W338-F405 HydrophobicContact CZ2-CG 4.41Å; W338-F405 AromaticContact CZ2-CZ 3.45Å; W338-F405 HydrophobicContact CZ2-CZ 3.45Å; W338-F405 VanDerWaalsContact CZ2-CZ 3.45Å; W338-F405 AromaticContact NE1-CE2 3.61Å; W338-F405 AromaticContact NE1-CZ 3.43Å; F405-V417 HydrophobicContact CD1-CG1 3.94Å; F405-K419 HydrophobicContact CD1-CD 4.35Å; F405-K419 HydrophobicContact CD1-CG 3.8Å; F405-K419 HydrophobicContact CE1-CD 3.81Å; F405-K419 HydrophobicContact CE1-CG 3.75Å; F405-F800 HydrophobicContact CD2-CE1 4.27Å; F405-F800 HydrophobicContact CD2-CE2 4.46Å; F405-F800 AromaticContact CD2-CZ 3.85Å; F405-F800 HydrophobicContact CD2-CZ 3.85Å; F405-F800 HydrophobicContact CE2-CE1 4.15Å; F405-F800 AromaticContact CE2-CZ 3.84Å; F405-F800 HydrophobicContact CE2-CZ 3.84Å
406	E	85.3	Confident	85.2	Confident	79 Å²	79	74.1 Å²	74.1	37%	0.369	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	142.6	173.6	-64.3	-174.9	152	0	0	109	K404 V417 H418	K404-E406 HydrophobicContact CD-CG 4.04Å; K404-E406 WeakPolarHBondContact CE-OE1 3.35Å; K404-E406 HydrophobicContact CG-CG 4.16Å; K404-E406 IonicContact NZ-OE1 2.71Å; K404-E406 PolarHBondContact NZ-OE1 3.29Å; E406-V417 CarbonylContact O-C 3.46Å; E406-H418 HydrophobicContact CB-CB 4.43Å; E406-H418 PolarHBondContact N-O 3.47Å; E406-H418 PolarHBondContact O-N 2.78Å
407	L	81.7	Confident	84.6	Confident	64 Å²	64	75.9 Å²	75.9	34%	0.335	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	116	177.8	-64.2	171.7	0	0	0	108	V415 V417 R802 M803	L407-V415 HydrophobicContact CD2-CG1 4Å; L407-V417 HydrophobicContact CD2-CB 4.47Å; L407-V417 HydrophobicContact CD2-CG2 3.8Å; L407-R802 HydrophobicContact CD1-CB 3.18Å; L407-R802 HydrophobicContact CD1-CG 4.31Å; L407-M803 HydrophobicContact CD2-CB 4.23Å; L407-M803 HydrophobicContact CD2-CG 4.48Å
408	G	80.7	Confident	84.3	Confident	31 Å²	31	79.7 Å²	79.7	32%	0.32	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	166.9	169.5	0	0	0	0	0	111.3	V416	G408-V416 PolarHBondContact N-O 3.32Å; G408-V416 PolarHBondContact O-N 3.37Å
409	R	79.9	Confident	84.4	Confident	196 Å²	196	80.6 Å²	80.6	74%	0.74	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.8	126.5	162.5	-66.1	-178.4	-179.3	-158.9	-2.7	106.5	L414	R409-L414 WeakPolarHBondContact CA-O 3.46Å
410	D	71.9	Confident	84.5	Confident	93 Å²	93	81.5 Å²	81.5	50%	0.497	42%	0.418	S	S	.	.			trans	-77.6	171.5	171.7	-77.1	8	0	0	0	110	S412 E413 L414 V416	D410-S412 PolarHBondContact O-N 2.91Å; D410-E413 WeakPolarHBondContact O-CA 3.48Å; D410-E413 PolarHBondContact O-N 2.91Å; D410-L414 PolarHBondContact N-O 2.93Å; D410-V416 HydrophobicContact CB-CG2 4.17Å; D410-V416 WeakPolarHBondContact OD1-CG2 3.41Å; D410-V416 VanDerWaalsContact OD2-CG2 3.32Å; D410-V416 WeakPolarHBondContact OD2-CG2 3.26Å
411	D	81.1	Confident	84.7	Confident	178 Å²	178	75.8 Å²	75.8	95%	0.952	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-23.5	177	-64.8	-27.6	0	0	0	113.1	E413	D411-E413 VanDerWaalsContact C-N 3.27Å; D411-E413 PolarHBondContact O-N 2.85Å
412	S	77.8	Confident	84.9	Confident	94 Å²	94	76.3 Å²	76.3	66%	0.657	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	10.5	175.8	-58.8	0	0	0	0	114.3	D410 L414	D410-S412 PolarHBondContact O-N 2.91Å; S412-L414 PolarHBondContact O-N 2.7Å
413	E	75.5	Confident	85	Confident	156 Å²	156	73.3 Å²	73.3	73%	0.729	38%	0.378	S	S	*	.			trans	57.6	6.2	-173.1	-60.7	-165.6	145.4	0	0	115.7	D410 D411	D410-E413 WeakPolarHBondContact O-CA 3.48Å; D410-E413 PolarHBondContact O-N 2.91Å; D411-E413 VanDerWaalsContact C-N 3.27Å; D411-E413 PolarHBondContact O-N 2.85Å
414	L	77.3	Confident	84.9	Confident	117 Å²	117	73.6 Å²	73.6	61%	0.613	38%	0.379	S	S	*	.			trans	-70.7	137.3	175.3	-64.4	176.6	0	0	0	110.1	R409 D410 S412 V416	R409-L414 WeakPolarHBondContact CA-O 3.46Å; D410-L414 PolarHBondContact N-O 2.93Å; S412-L414 PolarHBondContact O-N 2.7Å; L414-V416 PolarHBondContact O-N 2.94Å
415	V	79	Confident	84.9	Confident	69 Å²	69	72 Å²	72	42%	0.418	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	115.6	176.6	179.4	0	0	0	0	108.5	L407	L407-V415 HydrophobicContact CD2-CG1 4Å
416	V	81.1	Confident	85	Confident	55 Å²	55	74.5 Å²	74.5	33%	0.333	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	136.2	177	178.3	0	0	0	0	109.8	G408 D410 L414	G408-V416 PolarHBondContact N-O 3.32Å; G408-V416 PolarHBondContact O-N 3.37Å; D410-V416 HydrophobicContact CB-CG2 4.17Å; D410-V416 WeakPolarHBondContact OD1-CG2 3.41Å; D410-V416 VanDerWaalsContact OD2-CG2 3.32Å; D410-V416 WeakPolarHBondContact OD2-CG2 3.26Å; L414-V416 PolarHBondContact O-N 2.94Å
417	V	83.1	Confident	85.1	Confident	38 Å²	38	71.7 Å²	71.7	23%	0.23	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	107.5	178.6	-174.8	0	0	0	0	108.8	F405 E406 L407 K419 M803	F405-V417 HydrophobicContact CD1-CG1 3.94Å; E406-V417 CarbonylContact O-C 3.46Å; L407-V417 HydrophobicContact CD2-CB 4.47Å; L407-V417 HydrophobicContact CD2-CG2 3.8Å; V417-K419 HydrophobicContact CG1-CG 4.46Å; V417-M803 HydrophobicContact CG1-CG 4.35Å; V417-M803 HydrophobicContact CG2-CG 3.77Å
418	H	87.4	Confident	85.1	Confident	103 Å²	103	73 Å²	73	48%	0.477	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	123.3	172	-170.8	-86.2	0	0	0	110.1	E406 T420	E406-H418 HydrophobicContact CB-CB 4.43Å; E406-H418 PolarHBondContact N-O 3.47Å; E406-H418 PolarHBondContact O-N 2.78Å; H418-T420 PolarHBondContact CE1-OG1 3.28Å; H418-T420 VanDerWaalsContact CE1-OG1 3.24Å; H418-T420 PolarHBondContact ND1-OG1 3.26Å
419	K	92.6	Very high	84.8	Confident	72 Å²	72	75 Å²	75	31%	0.313	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	113.4	179.5	-58.7	-175.5	-172.7	174.6	0	109.4	L337 W338 N383 F405 V417	L337-K419 WeakPolarHBondContact O-CE 3.09Å; L337-K419 PolarHBondContact O-NZ 3.36Å; W338-K419 HydrophobicContact CE3-CB 4.32Å; W338-K419 HydrophobicContact CZ3-CB 3.87Å; N383-K419 PolarHBondContact ND2-O 2.65Å; F405-K419 HydrophobicContact CD1-CD 4.35Å; F405-K419 HydrophobicContact CD1-CG 3.8Å; F405-K419 HydrophobicContact CE1-CD 3.81Å; F405-K419 HydrophobicContact CE1-CG 3.75Å; V417-K419 HydrophobicContact CG1-CG 4.46Å
420	T	94.1	Very high	84	Confident	22 Å²	22	72.4 Å²	72.4	14%	0.135	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	115.9	179.2	-54.9	0	0	0	0	109.7	K404 H418 L422	K404-T420 PolarHBondContact N-O 3Å; K404-T420 PolarHBondContact O-N 2.85Å; H418-T420 PolarHBondContact CE1-OG1 3.28Å; H418-T420 VanDerWaalsContact CE1-OG1 3.24Å; H418-T420 PolarHBondContact ND1-OG1 3.26Å; T420-L422 HydrophobicContact CG2-CD1 4.16Å; T420-L422 HydrophobicContact CG2-CD2 4.3Å; T420-L422 HydrophobicContact CG2-CG 4Å
421	S	95.2	Very high	83.3	Confident	4 Å²	4	75.3 Å²	75.3	3%	0.028	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	120.7	173.4	69.7	0	0	0	0	109.9	Q381 C382 N383 H402	Q381-S421 PolarHBondContact O-OG 2.97Å; Q381-S421 VanDerWaalsContact O-OG 3.14Å; C382-S421 CarbonylContact C-O 3.58Å; C382-S421 WeakPolarHBondContact CA-O 3.37Å; N383-S421 PolarHBondContact N-O 3.28Å; N383-S421 WeakPolarHBondContact OD1-CA 3.48Å; N383-S421 PolarHBondContact OD1-N 3.23Å; N383-S421 PolarHBondContact OD1-O 3.04Å; N383-S421 VanDerWaalsContact OD1-O 3.07Å; N383-S421 PolarHBondContact OD1-OG 2.92Å; H402-S421 WeakPolarHBondContact O-CA 3.46Å
422	L	96.1	Very high	81.9	Confident	30 Å²	30	77.5 Å²	77.5	16%	0.157	40%	0.398	C	S	.	.			trans	-119.8	140.6	-178	-59	170.1	0	0	0	109.9	N383 K384 H402 T420 H426	N383-L422 HydrophobicContact CB-CD2 4.38Å; K384-L422 HydrophobicContact CB-CD2 4.44Å; H402-L422 HydrophobicContact CB-CB 4.35Å; H402-L422 PolarHBondContact O-N 3.14Å; T420-L422 HydrophobicContact CG2-CD1 4.16Å; T420-L422 HydrophobicContact CG2-CD2 4.3Å; T420-L422 HydrophobicContact CG2-CG 4Å; L422-H426 HydrophobicContact CB-CB 4.39Å; L422-H426 WeakPolarHBondContact CD1-O 3.49Å; L422-H426 HydrophobicContact CD2-CB 4.37Å
423	C	94.8	Very high	80.7	Confident	1 Å²	1	77 Å²	77	1%	0.007	39%	0.394	C	S	.	.			trans	-72.2	165.4	169.5	67.3	0	0	0	0	111.2	C382 T389 F391 W401 M425 H426 G427	C382-C423 HydrophobicContact CB-CB 4.34Å; C382-C423 PolarHBondContact SG-N 3.33Å; T389-C423 HydrophobicContact CG2-CB 4.06Å; F391-C423 HydrophobicContact CE1-CB 4.49Å; W401-C423 HydrophobicContact CE3-CB 4.11Å; W401-C423 HydrophobicContact CH2-CB 3.73Å; W401-C423 VanDerWaalsContact CZ3-CA 3.48Å; W401-C423 HydrophobicContact CZ3-CB 3.46Å; W401-C423 VanDerWaalsContact CZ3-CB 3.46Å; C423-M425 PolarHBondContact O-N 2.72Å; C423-M425 VanDerWaalsContact O-N 3.12Å; C423-H426 CarbonylContact O-C 3.31Å; C423-H426 PolarHBondContact O-N 2.75Å; C423-H426 PolarHBondContact SG-ND1 3.47Å; C423-G427 PolarHBondContact O-N 2.94Å
424	D	90.4	Very high	79.6	Confident	36 Å²	36	77.1 Å²	77.1	19%	0.193	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.4	-35.3	173.2	61.4	-28	0	0	0	115.1	W401 H426 S452 I456	W401-D424 HydrophobicContact CZ2-CB 3.82Å; D424-H426 VanDerWaalsContact C-N 3.32Å; D424-H426 PolarHBondContact O-N 2.82Å; D424-S452 WeakPolarHBondContact OD2-CB 3.45Å; D424-S452 PolarHBondContact OD2-OG 2.66Å; D424-I456 WeakPolarHBondContact OD2-CD1 3.02Å
425	M	89.8	Confident	78.3	Confident	53 Å²	53	73.3 Å²	73.3	26%	0.261	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-20.1	177.7	-68.5	-59.9	-52.9	0	0	114.1	C423 L445 R449	C423-M425 PolarHBondContact O-N 2.72Å; C423-M425 VanDerWaalsContact O-N 3.12Å; M425-L445 HydrophobicContact CE-CD1 3.97Å; M425-R449 HydrophobicContact CE-CG 3.67Å; M425-R449 HydrophobicContact SD-CG 3.8Å
426	H	91.5	Very high	77.1	Confident	73 Å²	73	78.8 Å²	78.8	34%	0.338	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	2.6	-175.8	-61.5	130.8	0	0	0	113.3	K384 C387 L422 C423 D424	K384-H426 HydrophobicContact CB-CB 4.16Å; K384-H426 HydrophobicContact CG-CB 4.47Å; C387-H426 PolarHBondContact SG-CE1 3.41Å; C387-H426 PolarHBondContact SG-ND1 2.79Å; L422-H426 HydrophobicContact CB-CB 4.39Å; L422-H426 WeakPolarHBondContact CD1-O 3.49Å; L422-H426 HydrophobicContact CD2-CB 4.37Å; C423-H426 CarbonylContact O-C 3.31Å; C423-H426 PolarHBondContact O-N 2.75Å; C423-H426 PolarHBondContact SG-ND1 3.47Å; D424-H426 VanDerWaalsContact C-N 3.32Å; D424-H426 PolarHBondContact O-N 2.82Å
427	G	86.2	Confident	76	Confident	20 Å²	20	81.2 Å²	81.2	21%	0.206	42%	0.419	C	S	.	.	S	Bend	trans	-62.3	160.9	173.1	0	0	0	0	0	112	C423 V429	C423-G427 PolarHBondContact O-N 2.94Å; G427-V429 PolarHBondContact O-N 2.81Å
428	P	82	Confident	75.1	Confident	93 Å²	93	83.6 Å²	83.6	60%	0.604	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-58.2	128.9	176.1	24.1	-31.6	0	0	0	110.3
429	V	73.9	Confident	74.1	Confident	73 Å²	73	82.4 Å²	82.4	44%	0.442	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-82.7	118.5	176.3	-177.4	0	0	0	0	107.6	G427 E431	G427-V429 PolarHBondContact O-N 2.81Å; V429-E431 PolarHBondContact O-N 3.33Å
430	E	64.5	Low	73.3	Confident	141 Å²	141	82.7 Å²	82.7	66%	0.659	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-59.3	126.7	174	-66	-163.3	168.4	0	0	110.3	R432 S433	E430-R432 PolarHBondContact O-N 3.39Å; E430-S433 PolarHBondContact O-N 3.09Å
431	E	56.4	Low	72.4	Confident	153 Å²	153	89.3 Å²	89.3	72%	0.715	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-58.8	-19.9	-176.5	-70.9	-172.7	143.7	0	0	113.4	V429 S433 K434	V429-E431 PolarHBondContact O-N 3.33Å; E431-S433 PolarHBondContact O-N 2.84Å; E431-S433 VanDerWaalsContact O-N 3.13Å; E431-K434 WeakPolarHBondContact O-CB 3.4Å; E431-K434 PolarHBondContact O-N 2.96Å
432	R	51.7	Low	71.7	Confident	225 Å²	225	93.7 Å²	93.7	85%	0.849	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-59.3	-20.4	172.9	-74.1	179.9	176.4	-179.1	-1.2	113.9	E430 K434	E430-R432 PolarHBondContact O-N 3.39Å; R432-K434 VanDerWaalsContact C-N 3.26Å; R432-K434 PolarHBondContact O-N 3.32Å
433	S	52.9	Low	71.1	Confident	82 Å²	82	95.1 Å²	95.1	57%	0.573	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-79.2	-3.8	173	-61.9	0	0	0	0	113.9	E430 E431 G435	E430-S433 PolarHBondContact O-N 3.09Å; E431-S433 PolarHBondContact O-N 2.84Å; E431-S433 VanDerWaalsContact O-N 3.13Å; S433-G435 PolarHBondContact O-N 3.38Å
434	K	50.9	Low	70.3	Confident	160 Å²	160	99.4 Å²	99.4	70%	0.696	54%	0.537	S	S	*	.			trans	-86.7	36.7	167.4	-63.6	-178.5	178.2	172.7	0	111.3	E431 R432	E431-K434 WeakPolarHBondContact O-CB 3.4Å; E431-K434 PolarHBondContact O-N 2.96Å; R432-K434 VanDerWaalsContact C-N 3.26Å; R432-K434 PolarHBondContact O-N 3.32Å
435	G	51	Low	69.9	Low	36 Å²	36	100.9 Å²	100.9	37%	0.371	55%	0.545	S	S	.	.			trans	-56.1	147.5	168.4	0	0	0	0	0	110.5	S433 D437	S433-G435 PolarHBondContact O-N 3.38Å; G435-D437 PolarHBondContact O-N 3.5Å
436	L	54.8	Low	69.7	Low	184 Å²	184	105 Å²	105	96%	0.963	56%	0.563	S	S	*	*	S	Bend	trans	-60.6	15.9	-176.4	-73.3	158.8	0	0	0	115.3	G438	L436-G438 PolarHBondContact O-N 2.86Å
437	D	57	Low	69.5	Low	107 Å²	107	105.7 Å²	105.7	57%	0.572	57%	0.567	S	S	*	*			trans	-85.4	112.5	-179.6	-66.7	-24.5	0	0	0	109.5	G435 Q439 R444	G435-D437 PolarHBondContact O-N 3.5Å; D437-Q439 HydrophobicContact CB-CG 4.38Å; D437-Q439 PolarHBondContact O-N 3.35Å; D437-R444 PolarHBondContact O-NH2 2.79Å
438	G	65	Low	69.3	Low	87 Å²	87	109 Å²	109	90%	0.897	57%	0.573	S	S	*	*			trans	-61.6	33.4	178.1	0	0	0	0	0	116.5	L436	L436-G438 PolarHBondContact O-N 2.86Å
439	Q	64.7	Low	69.6	Low	78 Å²	78	110.9 Å²	110.9	36%	0.364	57%	0.568	S	S	.	*			trans	-67.9	133.6	173.5	-65.5	-178.9	33.1	0	0	110.9	D437 R444	D437-Q439 HydrophobicContact CB-CG 4.38Å; D437-Q439 PolarHBondContact O-N 3.35Å; Q439-R444 HydrophobicContact CB-CG 4.21Å; Q439-R444 PolarHBondContact O-NE 3.14Å
440	C	76.4	Confident	70.3	Confident	78 Å²	78	111.2 Å²	111.2	53%	0.527	57%	0.565	S	S	.	*			trans	-55.8	140.7	174.3	-177.2	0	0	0	0	111.2	T442 V443 R444	C440-T442 PolarHBondContact O-N 3Å; C440-T442 VanDerWaalsContact O-N 3.13Å; C440-T442 PolarHBondContact SG-OG1 3.46Å; C440-V443 HydrophobicContact CB-CG2 4.41Å; C440-V443 PolarHBondContact O-N 3.42Å; C440-R444 PolarHBondContact O-N 3.47Å
441	E	76.3	Confident	71.4	Confident	162 Å²	162	110.7 Å²	110.7	76%	0.757	56%	0.562	S	S	*	*	H	α-helix	trans	-55.2	-32.5	-178.5	-173.3	171.8	-171.4	0	0	112.9	V443 R444 L445	E441-V443 PolarHBondContact O-N 2.87Å; E441-R444 PolarHBondContact O-N 3.31Å; E441-L445 WeakPolarHBondContact O-CB 3.39Å; E441-L445 PolarHBondContact O-N 2.95Å
442	T	79.5	Confident	72.9	Confident	95 Å²	95	104.1 Å²	104.1	58%	0.583	53%	0.533	S	S	*	.	H	α-helix	trans	-62	-43.5	176.7	57.8	0	0	0	0	112.3	C440 L445 Q446	C440-T442 PolarHBondContact O-N 3Å; C440-T442 VanDerWaalsContact O-N 3.13Å; C440-T442 PolarHBondContact SG-OG1 3.46Å; T442-L445 PolarHBondContact O-N 2.94Å; T442-Q446 PolarHBondContact O-N 3.44Å
443	V	83.3	Confident	74.8	Confident	60 Å²	60	100 Å²	100	36%	0.364	52%	0.517	S	S	.	.	H	α-helix	trans	-66.5	-43.9	179.1	179.2	0	0	0	0	110.1	C440 E441 L445 Q446 Q447	C440-V443 HydrophobicContact CB-CG2 4.41Å; C440-V443 PolarHBondContact O-N 3.42Å; E441-V443 PolarHBondContact O-N 2.87Å; V443-L445 VanDerWaalsContact C-N 3.34Å; V443-L445 PolarHBondContact O-N 3.42Å; V443-Q446 PolarHBondContact O-N 3.39Å; V443-Q447 WeakPolarHBondContact O-CG 3.44Å; V443-Q447 PolarHBondContact O-N 3.29Å
444	R	78.1	Confident	76.6	Confident	91 Å²	91	100.3 Å²	100.3	34%	0.343	51%	0.51	S	S	.	.	H	α-helix	trans	-61.5	-41.5	176.7	-66.4	177.2	176	169.7	-5.9	112	D437 Q439 C440 E441 R448	D437-R444 PolarHBondContact O-NH2 2.79Å; Q439-R444 HydrophobicContact CB-CG 4.21Å; Q439-R444 PolarHBondContact O-NE 3.14Å; C440-R444 PolarHBondContact O-N 3.47Å; E441-R444 PolarHBondContact O-N 3.31Å; R444-R448 WeakPolarHBondContact O-CB 3.28Å; R444-R448 PolarHBondContact O-N 3.32Å
445	L	82.9	Confident	78.5	Confident	67 Å²	67	96.1 Å²	96.1	35%	0.351	50%	0.495	S	S	.	.	H	α-helix	trans	-65.2	-39.9	176.3	-177.5	63.7	0	0	0	111.7	M425 E441 T442 V443 R448 R449	M425-L445 HydrophobicContact CE-CD1 3.97Å; E441-L445 WeakPolarHBondContact O-CB 3.39Å; E441-L445 PolarHBondContact O-N 2.95Å; T442-L445 PolarHBondContact O-N 2.94Å; V443-L445 VanDerWaalsContact C-N 3.34Å; V443-L445 PolarHBondContact O-N 3.42Å; L445-R448 PolarHBondContact O-N 2.89Å; L445-R449 WeakPolarHBondContact O-CG 3.22Å; L445-R449 PolarHBondContact O-N 3.21Å
446	Q	85.3	Confident	80.4	Confident	139 Å²	139	94.9 Å²	94.9	65%	0.65	48%	0.48	S	S	*	.	H	α-helix	trans	-66.9	-43.6	177.5	-170.9	170.9	0.8	0	0	111.9	T442 V443 R448 R449 E450	T442-Q446 PolarHBondContact O-N 3.44Å; V443-Q446 PolarHBondContact O-N 3.39Å; Q446-R448 VanDerWaalsContact C-N 3.34Å; Q446-R448 PolarHBondContact O-N 3.02Å; Q446-R449 PolarHBondContact O-N 2.89Å; Q446-E450 PolarHBondContact O-N 3.16Å
447	Q	86.2	Confident	82.2	Confident	88 Å²	88	93.5 Å²	93.5	41%	0.411	46%	0.462	S	S	.	.	H	α-helix	trans	-59.2	-44.8	173.3	-73	172.2	1.2	0	0	111.4	V443 R449 E450 Q451	V443-Q447 WeakPolarHBondContact O-CG 3.44Å; V443-Q447 PolarHBondContact O-N 3.29Å; Q447-R449 PolarHBondContact O-N 3.34Å; Q447-E450 PolarHBondContact O-N 3.5Å; Q447-Q451 WeakPolarHBondContact O-CG 3.44Å; Q447-Q451 PolarHBondContact O-N 2.88Å
448	R	83.7	Confident	83.9	Confident	90 Å²	90	95.5 Å²	95.5	34%	0.34	47%	0.466	S	S	.	.	H	α-helix	trans	-61.1	-43.1	176.7	-169.3	-176.9	-61.6	170.6	2.7	112	R444 L445 Q446 E450 Q451 S452	R444-R448 WeakPolarHBondContact O-CB 3.28Å; R444-R448 PolarHBondContact O-N 3.32Å; L445-R448 PolarHBondContact O-N 2.89Å; Q446-R448 VanDerWaalsContact C-N 3.34Å; Q446-R448 PolarHBondContact O-N 3.02Å; R448-E450 VanDerWaalsContact C-N 3.31Å; R448-E450 PolarHBondContact O-N 3.22Å; R448-Q451 PolarHBondContact O-N 2.89Å; R448-S452 VanDerWaalsContact O-CB 3.26Å; R448-S452 WeakPolarHBondContact O-CB 3.44Å; R448-S452 PolarHBondContact O-N 3.36Å
449	R	88.2	Confident	85.2	Confident	132 Å²	132	91.9 Å²	91.9	50%	0.498	43%	0.426	S	S	.	.	H	α-helix	trans	-61.1	-39.4	175.5	-77	173.4	173.2	-177.9	0.2	111.9	M425 L445 Q446 Q447 R453	M425-R449 HydrophobicContact CE-CG 3.67Å; M425-R449 HydrophobicContact SD-CG 3.8Å; L445-R449 WeakPolarHBondContact O-CG 3.22Å; L445-R449 PolarHBondContact O-N 3.21Å; Q446-R449 PolarHBondContact O-N 2.89Å; Q447-R449 PolarHBondContact O-N 3.34Å; R449-R453 VanDerWaalsContact O-CG 3.25Å; R449-R453 WeakPolarHBondContact O-CG 3.32Å; R449-R453 PolarHBondContact O-N 3.13Å
450	E	88.5	Confident	86.5	Confident	80 Å²	80	92 Å²	92	37%	0.374	42%	0.423	S	S	.	.	H	α-helix	trans	-71	-44.1	178.8	-173.5	52	-143.9	0	0	111.8	Q446 Q447 R448 S452 R453 Q454	Q446-E450 PolarHBondContact O-N 3.16Å; Q447-E450 PolarHBondContact O-N 3.5Å; R448-E450 VanDerWaalsContact C-N 3.31Å; R448-E450 PolarHBondContact O-N 3.22Å; E450-S452 VanDerWaalsContact C-N 3.31Å; E450-S452 PolarHBondContact O-N 2.78Å; E450-R453 PolarHBondContact O-N 3.24Å; E450-Q454 WeakPolarHBondContact O-CG 3.29Å; E450-Q454 PolarHBondContact O-N 3.36Å; E450-Q454 PolarHBondContact OE1-NE2 3.47Å
451	Q	87.7	Confident	87.2	Confident	130 Å²	130	94.9 Å²	94.9	61%	0.607	43%	0.427	S	S	*	.	H	α-helix	trans	-58.9	-42.6	172.8	-71.2	175	-0.8	0	0	111.9	Q447 R448 Q454 N455	Q447-Q451 WeakPolarHBondContact O-CG 3.44Å; Q447-Q451 PolarHBondContact O-N 2.88Å; R448-Q451 PolarHBondContact O-N 2.89Å; Q451-Q454 PolarHBondContact O-N 3.33Å; Q451-N455 PolarHBondContact O-N 3.37Å
452	S	87.7	Confident	87.8	Confident	15 Å²	15	90.7 Å²	90.7	11%	0.105	41%	0.409	C	S	.	.	H	α-helix	trans	-58.1	-49.9	173.8	136.8	0	0	0	0	111.4	D424 R448 E450 Q454 N455 I456	D424-S452 WeakPolarHBondContact OD2-CB 3.45Å; D424-S452 PolarHBondContact OD2-OG 2.66Å; R448-S452 VanDerWaalsContact O-CB 3.26Å; R448-S452 WeakPolarHBondContact O-CB 3.44Å; R448-S452 PolarHBondContact O-N 3.36Å; E450-S452 VanDerWaalsContact C-N 3.31Å; E450-S452 PolarHBondContact O-N 2.78Å; S452-Q454 VanDerWaalsContact C-N 3.28Å; S452-Q454 PolarHBondContact O-N 3.34Å; S452-N455 PolarHBondContact O-N 3.04Å; S452-I456 WeakPolarHBondContact O-CD1 3.39Å; S452-I456 WeakPolarHBondContact O-CG1 3.42Å; S452-I456 PolarHBondContact O-N 3.45Å
453	R	90.5	Very high	88.3	Confident	138 Å²	138	86.4 Å²	86.4	52%	0.521	38%	0.383	S	S	.	.	H	α-helix	trans	-58.3	-41.5	177.8	-76	171.3	178.6	-145	-0.3	111.7	R449 E450 R457	R449-R453 VanDerWaalsContact O-CG 3.25Å; R449-R453 WeakPolarHBondContact O-CG 3.32Å; R449-R453 PolarHBondContact O-N 3.13Å; E450-R453 PolarHBondContact O-N 3.24Å; R453-R457 WeakPolarHBondContact O-CB 3.42Å; R453-R457 VanDerWaalsContact O-CG 3.26Å; R453-R457 WeakPolarHBondContact O-CG 3.39Å; R453-R457 PolarHBondContact O-N 3.05Å
454	Q	90.7	Very high	88.4	Confident	89 Å²	89	85.8 Å²	85.8	42%	0.416	38%	0.384	S	S	.	.	H	α-helix	trans	-65.5	-45.2	176.5	-69.1	176.2	15.2	0	0	111.8	E450 Q451 S452 I456 R457 K458	E450-Q454 WeakPolarHBondContact O-CG 3.29Å; E450-Q454 PolarHBondContact O-N 3.36Å; E450-Q454 PolarHBondContact OE1-NE2 3.47Å; Q451-Q454 PolarHBondContact O-N 3.33Å; S452-Q454 VanDerWaalsContact C-N 3.28Å; S452-Q454 PolarHBondContact O-N 3.34Å; Q454-I456 PolarHBondContact O-N 3.18Å; Q454-R457 PolarHBondContact O-N 3.01Å; Q454-K458 WeakPolarHBondContact O-CG 3.26Å; Q454-K458 PolarHBondContact O-N 3Å
455	N	91	Very high	88.8	Confident	73 Å²	73	86.2 Å²	86.2	39%	0.39	39%	0.39	S	S	.	.	H	α-helix	trans	-61.9	-43	177.3	-172.4	18.2	0	0	0	112	Q451 S452 R457 K458 T459	Q451-N455 PolarHBondContact O-N 3.37Å; S452-N455 PolarHBondContact O-N 3.04Å; N455-R457 PolarHBondContact O-N 3.3Å; N455-K458 PolarHBondContact O-N 3.14Å; N455-T459 WeakPolarHBondContact O-CB 3.43Å; N455-T459 PolarHBondContact O-N 3.29Å; N455-T459 PolarHBondContact O-OG1 3.5Å
456	I	91.8	Very high	88.9	Confident	9 Å²	9	88.8 Å²	88.8	5%	0.046	40%	0.398	C	S	.	.	H	α-helix	trans	-64.9	-40	177	-69	158.6	0	0	0	111.6	Y369 W401 D424 S452 Q454 T459 R460	Y369-I456 HydrophobicContact CD1-CD1 4.05Å; Y369-I456 HydrophobicContact CE1-CD1 3.33Å; Y369-I456 HydrophobicContact CE1-CG1 4.49Å; W401-I456 HydrophobicContact CZ2-CD1 4.35Å; W401-I456 HydrophobicContact CZ2-CG1 4.38Å; D424-I456 WeakPolarHBondContact OD2-CD1 3.02Å; S452-I456 WeakPolarHBondContact O-CD1 3.39Å; S452-I456 WeakPolarHBondContact O-CG1 3.42Å; S452-I456 PolarHBondContact O-N 3.45Å; Q454-I456 PolarHBondContact O-N 3.18Å; I456-T459 PolarHBondContact O-N 2.88Å; I456-R460 VanDerWaalsContact O-CB 3.27Å; I456-R460 WeakPolarHBondContact O-CB 3.19Å; I456-R460 PolarHBondContact O-N 3.35Å
457	R	92.7	Very high	88.7	Confident	156 Å²	156	84.3 Å²	84.3	59%	0.589	38%	0.375	S	S	*	.	H	α-helix	trans	-62.8	-45.8	175.5	-75.8	172.7	-178.1	175.3	1.3	111.1	R453 Q454 N455 R460 K461	R453-R457 WeakPolarHBondContact O-CB 3.42Å; R453-R457 VanDerWaalsContact O-CG 3.26Å; R453-R457 WeakPolarHBondContact O-CG 3.39Å; R453-R457 PolarHBondContact O-N 3.05Å; Q454-R457 PolarHBondContact O-N 3.01Å; N455-R457 PolarHBondContact O-N 3.3Å; R457-R460 PolarHBondContact O-N 3.47Å; R457-K461 PolarHBondContact O-N 2.91Å
458	K	92.8	Very high	88.3	Confident	149 Å²	149	85.9 Å²	85.9	65%	0.648	39%	0.391	S	S	*	.	H	α-helix	trans	-59.7	-49.7	175.4	-71.1	176.4	-178	-178.2	0	111.5	Q454 N455 R460 K461 L462	Q454-K458 WeakPolarHBondContact O-CG 3.26Å; Q454-K458 PolarHBondContact O-N 3Å; N455-K458 PolarHBondContact O-N 3.14Å; K458-R460 PolarHBondContact O-N 3.37Å; K458-K461 PolarHBondContact O-N 3.06Å; K458-L462 PolarHBondContact O-N 2.86Å
459	T	91	Very high	87.7	Confident	10 Å²	10	84.2 Å²	84.2	6%	0.061	40%	0.397	C	S	.	.	H	α-helix	trans	-62.4	-41.8	179	-54.8	0	0	0	0	111.9	I370 A399 N455 I456 K461 L462 L463	I370-T459 HydrophobicContact CG2-CG2 4.08Å; A399-T459 HydrophobicContact CB-CG2 3.85Å; N455-T459 WeakPolarHBondContact O-CB 3.43Å; N455-T459 PolarHBondContact O-N 3.29Å; N455-T459 PolarHBondContact O-OG1 3.5Å; I456-T459 PolarHBondContact O-N 2.88Å; T459-K461 VanDerWaalsContact C-N 3.35Å; T459-K461 PolarHBondContact O-N 3.38Å; T459-L462 PolarHBondContact O-N 3.13Å; T459-L463 HydrophobicContact CG2-CD1 3.96Å; T459-L463 HydrophobicContact CG2-CG 4.28Å; T459-L463 WeakPolarHBondContact O-CB 3.38Å; T459-L463 WeakPolarHBondContact O-CG 3.4Å; T459-L463 PolarHBondContact O-N 2.85Å
460	R	92.2	Very high	86.4	Confident	81 Å²	81	83.6 Å²	83.6	31%	0.306	41%	0.412	S	S	.	.	H	α-helix	trans	-61.6	-43.7	176.6	-177.7	-176.9	-58.4	148.9	16	111.4	I370 K372 I456 R457 K458 L463 A464	I370-R460 PolarHBondContact O-NE 3.45Å; I370-R460 PolarHBondContact O-NH2 2.86Å; K372-R460 VanDerWaalsContact CE-NH2 3.29Å; K372-R460 VanDerWaalsContact CG-CZ 3.46Å; I456-R460 VanDerWaalsContact O-CB 3.27Å; I456-R460 WeakPolarHBondContact O-CB 3.19Å; I456-R460 PolarHBondContact O-N 3.35Å; R457-R460 PolarHBondContact O-N 3.47Å; K458-R460 PolarHBondContact O-N 3.37Å; R460-L463 PolarHBondContact O-N 2.95Å; R460-A464 WeakPolarHBondContact O-CB 3.25Å; R460-A464 PolarHBondContact O-N 2.94Å
461	K	92.3	Very high	85.2	Confident	138 Å²	138	81.7 Å²	81.7	60%	0.6	41%	0.408	S	S	*	.	H	α-helix	trans	-59.8	-49.2	177	-173.5	179.6	176	-174.9	0	110.5	R457 K458 T459 L463 A464 E465	R457-K461 PolarHBondContact O-N 2.91Å; K458-K461 PolarHBondContact O-N 3.06Å; T459-K461 VanDerWaalsContact C-N 3.35Å; T459-K461 PolarHBondContact O-N 3.38Å; K461-L463 PolarHBondContact O-N 2.87Å; K461-A464 PolarHBondContact O-N 3.34Å; K461-E465 WeakPolarHBondContact CE-OE1 2.96Å; K461-E465 WeakPolarHBondContact CG-OE1 3.13Å; K461-E465 WeakPolarHBondContact O-CG 3.45Å; K461-E465 PolarHBondContact O-N 2.96Å
462	L	88.7	Confident	83.9	Confident	75 Å²	75	79.5 Å²	79.5	39%	0.393	40%	0.403	S	S	.	.	H	α-helix	trans	-62.2	-40.7	178.1	-177.9	143	0	0	0	113.1	K458 T459 K466	K458-L462 PolarHBondContact O-N 2.86Å; T459-L462 PolarHBondContact O-N 3.13Å; L462-K466 HydrophobicContact CD2-CD 3.85Å; L462-K466 HydrophobicContact CD2-CG 4.49Å; L462-K466 WeakPolarHBondContact O-CB 3.46Å; L462-K466 WeakPolarHBondContact O-CG 3.23Å; L462-K466 PolarHBondContact O-N 2.69Å
463	L	88.6	Confident	82.7	Confident	5 Å²	5	82.1 Å²	82.1	3%	0.026	42%	0.416	C	S	.	.	H	α-helix	trans	-68.3	-36.2	175.4	-75.6	173.6	0	0	0	112.5	I370 C395 T459 R460 K461 R467	I370-L463 HydrophobicContact CG2-CD1 4.06Å; C395-L463 HydrophobicContact CB-CD1 4.08Å; T459-L463 HydrophobicContact CG2-CD1 3.96Å; T459-L463 HydrophobicContact CG2-CG 4.28Å; T459-L463 WeakPolarHBondContact O-CB 3.38Å; T459-L463 WeakPolarHBondContact O-CG 3.4Å; T459-L463 PolarHBondContact O-N 2.85Å; R460-L463 PolarHBondContact O-N 2.95Å; K461-L463 PolarHBondContact O-N 2.87Å; L463-R467 VanDerWaalsContact O-CG 3.23Å; L463-R467 WeakPolarHBondContact O-CG 3.04Å; L463-R467 PolarHBondContact O-N 2.76Å; L463-R467 VanDerWaalsContact O-N 3.13Å
464	A	86.9	Confident	81.5	Confident	47 Å²	47	76 Å²	76	39%	0.388	39%	0.393	S	S	.	.	H	α-helix	trans	-65.8	-45.8	175.2	0	0	0	0	0	110.8	R460 K461 K466 R467 T468	R460-A464 WeakPolarHBondContact O-CB 3.25Å; R460-A464 PolarHBondContact O-N 2.94Å; K461-A464 PolarHBondContact O-N 3.34Å; A464-K466 PolarHBondContact O-N 2.75Å; A464-R467 PolarHBondContact O-N 3.34Å; A464-R467 VanDerWaalsContact O-N 3.15Å; A464-T468 PolarHBondContact O-N 2.72Å; A464-T468 VanDerWaalsContact O-N 3.15Å; A464-T468 PolarHBondContact O-OG1 2.99Å
465	E	86.3	Confident	80.4	Confident	99 Å²	99	75.6 Å²	75.6	46%	0.463	40%	0.396	S	S	.	.	H	α-helix	trans	-59.7	-44	174.4	-72.2	166.9	-176.8	0	0	111.6	K461 R467 T468 A469	K461-E465 WeakPolarHBondContact CE-OE1 2.96Å; K461-E465 WeakPolarHBondContact CG-OE1 3.13Å; K461-E465 WeakPolarHBondContact O-CG 3.45Å; K461-E465 PolarHBondContact O-N 2.96Å; E465-R467 VanDerWaalsContact C-N 3.26Å; E465-R467 PolarHBondContact O-N 2.84Å; E465-T468 PolarHBondContact O-N 2.78Å; E465-T468 PolarHBondContact O-OG1 2.76Å; E465-A469 VanDerWaalsContact O-CB 3.24Å; E465-A469 WeakPolarHBondContact O-CB 3.45Å; E465-A469 PolarHBondContact O-N 2.94Å
466	K	83.9	Confident	79.4	Confident	121 Å²	121	72.9 Å²	72.9	53%	0.526	38%	0.383	S	S	.	.	H	α-helix	trans	-64.4	-26	176.1	-77.2	-176.6	177.5	-177.1	0	114	L462 A464	L462-K466 HydrophobicContact CD2-CD 3.85Å; L462-K466 HydrophobicContact CD2-CG 4.49Å; L462-K466 WeakPolarHBondContact O-CB 3.46Å; L462-K466 WeakPolarHBondContact O-CG 3.23Å; L462-K466 PolarHBondContact O-N 2.69Å; A464-K466 PolarHBondContact O-N 2.75Å
467	R	81.5	Confident	78.7	Confident	46 Å²	46	74.9 Å²	74.9	17%	0.174	40%	0.395	C	S	.	.	H	α-helix	trans	-80.3	-30.2	176.7	-72.9	170	-167.1	168	2.2	112.6	P316 N317 L318 L463 A464 E465	P316-R467 VanDerWaalsContact CG-NH2 3.35Å; P316-R467 PolarHBondContact O-NE 3.19Å; N317-R467 VanDerWaalsContact OD1-CZ 3.3Å; N317-R467 PolarHBondContact OD1-NE 3.34Å; N317-R467 PolarHBondContact OD1-NH2 3.38Å; L318-R467 WeakPolarHBondContact CD1-O 3.29Å; L463-R467 VanDerWaalsContact O-CG 3.23Å; L463-R467 WeakPolarHBondContact O-CG 3.04Å; L463-R467 PolarHBondContact O-N 2.76Å; L463-R467 VanDerWaalsContact O-N 3.13Å; A464-R467 PolarHBondContact O-N 3.34Å; A464-R467 VanDerWaalsContact O-N 3.15Å; E465-R467 VanDerWaalsContact C-N 3.26Å; E465-R467 PolarHBondContact O-N 2.84Å
468	T	77.3	Confident	78.1	Confident	121 Å²	121	67.7 Å²	67.7	74%	0.742	37%	0.369	S	S	*	.	H	α-helix	trans	-92	-17.8	176.2	56.6	0	0	0	0	112.6	A464 E465 S470	A464-T468 PolarHBondContact O-N 2.72Å; A464-T468 VanDerWaalsContact O-N 3.15Å; A464-T468 PolarHBondContact O-OG1 2.99Å; E465-T468 PolarHBondContact O-N 2.78Å; E465-T468 PolarHBondContact O-OG1 2.76Å; T468-S470 PolarHBondContact O-N 3.47Å
469	A	71.9	Confident	77.6	Confident	55 Å²	55	62.3 Å²	62.3	46%	0.455	35%	0.349	S	S	.	.	S	Bend	trans	-60.2	128.5	173.4	0	0	0	0	0	110	E465 S471	E465-A469 VanDerWaalsContact O-CB 3.24Å; E465-A469 WeakPolarHBondContact O-CB 3.45Å; E465-A469 PolarHBondContact O-N 2.94Å; A469-S471 PolarHBondContact O-N 2.87Å
470	S	59.7	Low	77.2	Confident	118 Å²	118	68 Å²	68	83%	0.825	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-58.4	123.9	173.3	-84	0	0	0	0	109.3	T468 T472	T468-S470 PolarHBondContact O-N 3.47Å; S470-T472 PolarHBondContact O-N 3.11Å
471	S	63.8	Low	77	Confident	40 Å²	40	71.9 Å²	71.9	28%	0.28	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-58	137.8	167.7	50.2	0	0	0	0	109.2	P309 A469 I473	P309-S471 WeakPolarHBondContact CB-OG 3.37Å; A469-S471 PolarHBondContact O-N 2.87Å; S471-I473 VanDerWaalsContact C-N 3.25Å; S471-I473 PolarHBondContact O-N 3.47Å; S471-I473 WeakPolarHBondContact OG-CD1 3.48Å; S471-I473 WeakPolarHBondContact OG-CG1 3.24Å
472	T	61.5	Low	76.7	Confident	84 Å²	84	69.6 Å²	69.6	52%	0.515	38%	0.383	S	S	.	.			trans	-62	91	167	-52.9	0	0	0	0	109	P244 S470 L474	P244-T472 HydrophobicContact CG-CG2 3.61Å; S470-T472 PolarHBondContact O-N 3.11Å; T472-L474 HydrophobicContact CG2-CD2 3.49Å; T472-L474 VanDerWaalsContact CG2-CD2 3.49Å; T472-L474 HydrophobicContact CG2-CG 4.31Å
473	I	62.5	Low	76.6	Confident	71 Å²	71	66.4 Å²	66.4	36%	0.364	37%	0.366	S	S	.	.			trans	-94.3	113.8	173	-66.3	163.7	0	0	0	105.5	S307 P309 S471	S307-I473 VanDerWaalsContact C-CG2 3.41Å; S307-I473 WeakPolarHBondContact O-CG2 3.45Å; P309-I473 HydrophobicContact CG-CD1 3.99Å; S471-I473 VanDerWaalsContact C-N 3.25Å; S471-I473 PolarHBondContact O-N 3.47Å; S471-I473 WeakPolarHBondContact OG-CD1 3.48Å; S471-I473 WeakPolarHBondContact OG-CG1 3.24Å
474	L	64.8	Low	76.6	Confident	10 Å²	10	69.6 Å²	69.6	5%	0.052	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-89.5	122.7	175.5	-50.7	-169.5	0	0	0	108.4	F241 Q242 P244 M277 P306 S307 T472	F241-L474 HydrophobicContact CB-CB 4.11Å; F241-L474 HydrophobicContact CB-CD1 3.92Å; F241-L474 HydrophobicContact CD1-CB 3.52Å; F241-L474 HydrophobicContact CE1-CB 4.3Å; F241-L474 WeakPolarHBondContact CE1-O 3.31Å; F241-L474 HydrophobicContact CG-CB 4.17Å; Q242-L474 WeakPolarHBondContact O-CD2 3.44Å; P244-L474 HydrophobicContact CG-CD2 4.36Å; M277-L474 HydrophobicContact CE-CB 3.57Å; M277-L474 HydrophobicContact CE-CD1 3.67Å; M277-L474 HydrophobicContact CE-CG 3.83Å; M277-L474 HydrophobicContact CG-CD1 3.64Å; M277-L474 HydrophobicContact CG-CG 4.48Å; P306-L474 PolarHBondContact O-N 3.18Å; S307-L474 PolarHBondContact OG-O 3.12Å; T472-L474 HydrophobicContact CG2-CD2 3.49Å; T472-L474 VanDerWaalsContact CG2-CD2 3.49Å; T472-L474 HydrophobicContact CG2-CG 4.31Å
475	V	66.6	Low	76.8	Confident	79 Å²	79	71.1 Å²	71.1	48%	0.479	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-92	130.5	170.3	-179.3	0	0	0	0	106.9	V477	V475-V477 WeakPolarHBondContact O-CG2 3.27Å; V475-V477 PolarHBondContact O-N 2.81Å
476	P	71.8	Confident	76.9	Confident	16 Å²	16	66.7 Å²	66.7	10%	0.104	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	123.1	174	24	-31	0	0	0	109.5	F241 W506	F241-P476 HydrophobicContact CD1-CB 4.49Å; F241-P476 HydrophobicContact CE1-CB 4.25Å; F241-P476 HydrophobicContact CE1-CG 4.43Å; P476-W506 HydrophobicContact CB-CH2 4.26Å; P476-W506 HydrophobicContact CG-CH2 4.31Å
477	V	75.2	Confident	77.2	Confident	52 Å²	52	62.8 Å²	62.8	32%	0.315	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	141.9	178.7	-175.7	0	0	0	0	108.6	Y240 V475	Y240-V477 PolarHBondContact N-O 3.37Å; Y240-V477 VanDerWaalsContact N-O 3.12Å; Y240-V477 PolarHBondContact O-N 3.38Å; V475-V477 WeakPolarHBondContact O-CG2 3.27Å; V475-V477 PolarHBondContact O-N 2.81Å
478	I	81.3	Confident	77.7	Confident	5 Å²	5	64.5 Å²	64.5	3%	0.026	37%	0.371	C	S	.	.			trans	-113.5	120.8	169.2	-55.6	171.4	0	0	0	106.7	L235 E238 M480 R482 L483 W506	L235-I478 HydrophobicContact CB-CD1 4.12Å; L235-I478 HydrophobicContact CD2-CD1 3.36Å; L235-I478 HydrophobicContact CG-CD1 4.35Å; L235-I478 WeakPolarHBondContact O-CD1 3.32Å; E238-I478 HydrophobicContact CB-CG2 4.29Å; I478-M480 PolarHBondContact O-N 2.98Å; I478-R482 HydrophobicContact CG2-CB 4.35Å; I478-L483 HydrophobicContact CB-CD1 4.27Å; I478-L483 HydrophobicContact CD1-CD1 4.26Å; I478-L483 HydrophobicContact CG2-CB 4.13Å; I478-L483 HydrophobicContact CG2-CD1 3.91Å; I478-W506 HydrophobicContact CD1-CH2 3.87Å; I478-W506 HydrophobicContact CD1-CZ2 4.48Å; I478-W506 HydrophobicContact CD1-CZ3 3.91Å; I478-W506 HydrophobicContact CG1-CH2 4.23Å
479	P	82.3	Confident	78.3	Confident	36 Å²	36	64.8 Å²	64.8	23%	0.234	36%	0.362	C	S	.	.			trans	-55.8	137.6	176.6	-24.3	32.1	0	0	0	111	Y240 K481 R482 L483	Y240-P479 HydrophobicContact CD1-CG 4.43Å; Y240-P479 HydrophobicContact CE1-CG 3.32Å; Y240-P479 WeakPolarHBondContact OH-CG 3.35Å; P479-K481 PolarHBondContact O-N 3.14Å; P479-R482 HydrophobicContact CB-CB 4.36Å; P479-R482 HydrophobicContact CB-CG 4.33Å; P479-R482 HydrophobicContact CG-CG 4.26Å; P479-R482 PolarHBondContact O-N 3.13Å; P479-L483 WeakPolarHBondContact O-CB 3.36Å; P479-L483 PolarHBondContact O-N 3.06Å
480	M	83.2	Confident	79.2	Confident	129 Å²	129	62.9 Å²	62.9	64%	0.635	34%	0.344	S	S	*	.	H	α-helix	trans	-55.9	-31.2	179.4	-67.3	-59.1	-65.8	0	0	113	I478 L483 S484	I478-M480 PolarHBondContact O-N 2.98Å; M480-L483 HydrophobicContact CE-CD2 4.29Å; M480-L483 HydrophobicContact SD-CD2 3.99Å; M480-S484 WeakPolarHBondContact O-CB 3.5Å; M480-S484 PolarHBondContact O-N 3.01Å; M480-S484 PolarHBondContact O-OG 3.48Å
481	K	86.6	Confident	80.7	Confident	162 Å²	162	67 Å²	67	70%	0.704	35%	0.348	S	S	*	.	H	α-helix	trans	-64	-49.8	174.3	-173.5	179.5	179.1	-178	0	112.2	P479 S484 Q485	P479-K481 PolarHBondContact O-N 3.14Å; K481-S484 PolarHBondContact O-N 3.13Å; K481-Q485 WeakPolarHBondContact O-CG 3.43Å; K481-Q485 PolarHBondContact O-N 2.48Å
482	R	85.5	Confident	82	Confident	90 Å²	90	66.5 Å²	66.5	34%	0.34	34%	0.342	S	S	.	.	H	α-helix	trans	-65.3	-42.1	176.6	-70.5	-63.4	-170	154.9	-9.1	110.9	E192 E238 I478 P479 S484 Q485 I486	E192-R482 IonicContact OE1-CZ 3.03Å; E192-R482 IonicContact OE1-NH1 2.73Å; E192-R482 PolarHBondContact OE1-NH1 2.83Å; E192-R482 IonicContact OE1-NH2 3.2Å; E238-R482 IonicContact OE1-CZ 2.73Å; E238-R482 IonicContact OE1-NH1 3.02Å; E238-R482 PolarHBondContact OE1-NH1 2.64Å; E238-R482 WeakPolarHBondContact OE2-CD 3.3Å; E238-R482 WeakPolarHBondContact OE2-CG 3.43Å; E238-R482 IonicContact OE2-CZ 2.87Å; E238-R482 IonicContact OE2-NE 2.87Å; E238-R482 IonicContact OE2-NH1 3.33Å; I478-R482 HydrophobicContact CG2-CB 4.35Å; P479-R482 HydrophobicContact CB-CB 4.36Å; P479-R482 HydrophobicContact CB-CG 4.33Å; P479-R482 HydrophobicContact CG-CG 4.26Å; P479-R482 PolarHBondContact O-N 3.13Å; R482-S484 VanDerWaalsContact C-N 3.29Å; R482-S484 PolarHBondContact O-N 3.29Å; R482-Q485 VanDerWaalsContact CD-OE1 3.3Å; R482-Q485 WeakPolarHBondContact O-CB 3.35Å; R482-Q485 PolarHBondContact O-N 3.02Å; R482-I486 WeakPolarHBondContact O-CG1 3.16Å; R482-I486 PolarHBondContact O-N 3.22Å
483	L	87	Confident	83.5	Confident	9 Å²	9	64.6 Å²	64.6	5%	0.047	33%	0.334	C	S	.	.	H	α-helix	trans	-55.6	-44.3	175.5	-162.2	73.2	0	0	0	112.1	L235 I478 P479 M480 Q485 I486 I487 F499	L235-L483 HydrophobicContact CD2-CD1 3.96Å; I478-L483 HydrophobicContact CB-CD1 4.27Å; I478-L483 HydrophobicContact CD1-CD1 4.26Å; I478-L483 HydrophobicContact CG2-CB 4.13Å; I478-L483 HydrophobicContact CG2-CD1 3.91Å; P479-L483 WeakPolarHBondContact O-CB 3.36Å; P479-L483 PolarHBondContact O-N 3.06Å; M480-L483 HydrophobicContact CE-CD2 4.29Å; M480-L483 HydrophobicContact SD-CD2 3.99Å; L483-Q485 VanDerWaalsContact C-N 3.33Å; L483-Q485 PolarHBondContact O-N 3.5Å; L483-I486 PolarHBondContact O-N 3.47Å; L483-I487 HydrophobicContact CG-CD1 4.33Å; L483-I487 VanDerWaalsContact O-CG1 3.29Å; L483-I487 WeakPolarHBondContact O-CG1 3.5Å; L483-I487 PolarHBondContact O-N 2.81Å; L483-I487 VanDerWaalsContact O-N 3.14Å; L483-F499 HydrophobicContact CD1-CE1 3.57Å; L483-F499 HydrophobicContact CD1-CZ 3.49Å; L483-F499 VanDerWaalsContact CD1-CZ 3.49Å; L483-F499 HydrophobicContact CD2-CE1 4.1Å; L483-F499 HydrophobicContact CG-CE1 3.75Å; L483-F499 HydrophobicContact CG-CZ 4.01Å
484	S	90.1	Very high	84.9	Confident	71 Å²	71	67 Å²	67	50%	0.497	34%	0.339	S	S	.	.	H	α-helix	trans	-64.9	-36.1	177.9	-57.8	0	0	0	0	112.3	M480 K481 R482 S488	M480-S484 WeakPolarHBondContact O-CB 3.5Å; M480-S484 PolarHBondContact O-N 3.01Å; M480-S484 PolarHBondContact O-OG 3.48Å; K481-S484 PolarHBondContact O-N 3.13Å; R482-S484 VanDerWaalsContact C-N 3.29Å; R482-S484 PolarHBondContact O-N 3.29Å; S484-S488 WeakPolarHBondContact O-CB 3.37Å; S484-S488 PolarHBondContact O-N 3.17Å
485	Q	89.6	Confident	86.2	Confident	80 Å²	80	70.9 Å²	70.9	37%	0.374	36%	0.355	S	S	.	.	H	α-helix	trans	-66.1	-43.7	176.2	-69.5	169.9	-16.4	0	0	111.7	K481 R482 L483 I487 S488 K489	K481-Q485 WeakPolarHBondContact O-CG 3.43Å; K481-Q485 PolarHBondContact O-N 2.48Å; R482-Q485 VanDerWaalsContact CD-OE1 3.3Å; R482-Q485 WeakPolarHBondContact O-CB 3.35Å; R482-Q485 PolarHBondContact O-N 3.02Å; L483-Q485 VanDerWaalsContact C-N 3.33Å; L483-Q485 PolarHBondContact O-N 3.5Å; Q485-I487 PolarHBondContact O-N 3.49Å; Q485-S488 PolarHBondContact O-N 3.16Å; Q485-S488 PolarHBondContact O-OG 2.9Å; Q485-K489 PolarHBondContact O-N 2.85Å
486	I	89.2	Confident	87.4	Confident	5 Å²	5	74.3 Å²	74.3	3%	0.026	36%	0.364	C	S	.	.	H	α-helix	trans	-58.2	-50	175.5	-59.8	167.8	0	0	0	110.4	L231 R234 E238 R482 L483 S488 K489 F499	L231-I486 HydrophobicContact CD2-CG2 3.88Å; R234-I486 HydrophobicContact CB-CD1 4.08Å; R234-I486 HydrophobicContact CB-CG1 4.04Å; R234-I486 HydrophobicContact CB-CG2 3.72Å; R234-I486 HydrophobicContact CG-CG2 4.37Å; E238-I486 HydrophobicContact CB-CD1 4.02Å; E238-I486 HydrophobicContact CG-CD1 3.98Å; E238-I486 HydrophobicContact CG-CG1 4.44Å; R482-I486 WeakPolarHBondContact O-CG1 3.16Å; R482-I486 PolarHBondContact O-N 3.22Å; L483-I486 PolarHBondContact O-N 3.47Å; I486-S488 PolarHBondContact O-N 3.31Å; I486-K489 PolarHBondContact O-N 3.48Å; I486-F499 HydrophobicContact CG2-CE2 4.47Å
487	I	89.9	Confident	88.3	Confident	40 Å²	40	77.7 Å²	77.7	21%	0.205	38%	0.378	C	S	.	.	H	α-helix	trans	-62.8	-31.5	-179.8	-62.3	165.1	0	0	0	111.5	L483 Q485 K489 V490 K495 F499	L483-I487 HydrophobicContact CG-CD1 4.33Å; L483-I487 VanDerWaalsContact O-CG1 3.29Å; L483-I487 WeakPolarHBondContact O-CG1 3.5Å; L483-I487 PolarHBondContact O-N 2.81Å; L483-I487 VanDerWaalsContact O-N 3.14Å; Q485-I487 PolarHBondContact O-N 3.49Å; I487-K489 VanDerWaalsContact C-N 3.31Å; I487-K489 PolarHBondContact O-N 3.4Å; I487-V490 PolarHBondContact O-N 2.97Å; I487-K495 HydrophobicContact CG2-CD 4.02Å; I487-K495 HydrophobicContact CG2-CG 4.47Å; I487-F499 HydrophobicContact CD1-CD1 3.51Å; I487-F499 HydrophobicContact CD1-CD2 4.47Å; I487-F499 HydrophobicContact CD1-CE1 3.51Å; I487-F499 HydrophobicContact CD1-CE2 4.46Å; I487-F499 HydrophobicContact CD1-CG 4Å; I487-F499 HydrophobicContact CD1-CZ 3.99Å; I487-F499 HydrophobicContact CG1-CD1 3.77Å; I487-F499 HydrophobicContact CG1-CD2 3.8Å; I487-F499 HydrophobicContact CG1-CE1 3.72Å; I487-F499 HydrophobicContact CG1-CE2 3.74Å; I487-F499 HydrophobicContact CG1-CG 3.8Å; I487-F499 HydrophobicContact CG1-CZ 3.68Å
488	S	91.3	Very high	89.2	Confident	82 Å²	82	75.3 Å²	75.3	57%	0.573	36%	0.363	S	S	*	.	H	α-helix	trans	-68.8	-28.3	179.4	77.9	0	0	0	0	113.3	S484 Q485 I486 V490	S484-S488 WeakPolarHBondContact O-CB 3.37Å; S484-S488 PolarHBondContact O-N 3.17Å; Q485-S488 PolarHBondContact O-N 3.16Å; Q485-S488 PolarHBondContact O-OG 2.9Å; I486-S488 PolarHBondContact O-N 3.31Å; S488-V490 VanDerWaalsContact C-N 3.28Å; S488-V490 PolarHBondContact O-N 2.92Å
489	K	90	Very high	89.8	Confident	127 Å²	127	75.7 Å²	75.7	55%	0.552	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-8.9	-179.5	-69	-175.9	174.9	-172.7	0	113.6	Y230 Q485 I486 I487	Y230-K489 HydrophobicContact CE1-CB 4.32Å; Y230-K489 WeakPolarHBondContact OH-CB 3.08Å; Y230-K489 WeakPolarHBondContact OH-CD 3.13Å; Q485-K489 PolarHBondContact O-N 2.85Å; I486-K489 PolarHBondContact O-N 3.48Å; I487-K489 VanDerWaalsContact C-N 3.31Å; I487-K489 PolarHBondContact O-N 3.4Å
490	V	91.3	Very high	90.3	Very high	14 Å²	14	79.1 Å²	79.1	9%	0.085	38%	0.378	C	S	.	.			trans	-113.7	132.4	-175.7	178.3	0	0	0	0	112.9	I227 Y230 L231 I487 S488 I492	I227-V490 HydrophobicContact CG2-CG1 3.6Å; Y230-V490 HydrophobicContact CD1-CG2 3.7Å; Y230-V490 HydrophobicContact CE1-CG2 3.65Å; L231-V490 HydrophobicContact CD2-CB 4.45Å; L231-V490 HydrophobicContact CD2-CG2 3.65Å; L231-V490 HydrophobicContact CG-CG2 4.12Å; I487-V490 PolarHBondContact O-N 2.97Å; S488-V490 VanDerWaalsContact C-N 3.28Å; S488-V490 PolarHBondContact O-N 2.92Å; V490-I492 HydrophobicContact CG1-CD1 4.43Å; V490-I492 HydrophobicContact CG1-CG1 4.29Å; V490-I492 HydrophobicContact CG1-CG2 3.86Å
491	K	90.5	Very high	90.8	Very high	206 Å²	206	79.7 Å²	79.7	90%	0.896	37%	0.373	S	S	*	.			trans	-105.3	90.4	178.9	-64.1	-179	-178	178.1	0	111.3
492	I	92.8	Very high	91.3	Very high	29 Å²	29	72 Å²	72	15%	0.149	34%	0.339	C	S	.	.			trans	-132.9	146.8	174.4	63.4	178.8	0	0	0	111.7	V223 I227 V490 K495 F498	V223-I492 HydrophobicContact CG2-CD1 4.42Å; V223-I492 HydrophobicContact CG2-CG2 4.34Å; I227-I492 HydrophobicContact CD1-CG2 3.95Å; I227-I492 HydrophobicContact CG2-CG2 4.3Å; V490-I492 HydrophobicContact CG1-CD1 4.43Å; V490-I492 HydrophobicContact CG1-CG1 4.29Å; V490-I492 HydrophobicContact CG1-CG2 3.86Å; I492-K495 HydrophobicContact CD1-CB 4Å; I492-K495 HydrophobicContact CG1-CB 3.44Å; I492-K495 VanDerWaalsContact CG1-CB 3.44Å; I492-F498 HydrophobicContact CD1-CB 4.05Å; I492-F498 HydrophobicContact CD1-CD1 3.42Å; I492-F498 VanDerWaalsContact CD1-CD1 3.42Å; I492-F498 HydrophobicContact CD1-CE1 4.14Å; I492-F498 HydrophobicContact CD1-CG 3.91Å
493	A	92.5	Very high	91.6	Very high	44 Å²	44	71.8 Å²	71.8	36%	0.364	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	140.2	173.8	0	0	0	0	0	111.4	R215 L220 K495	R215-A493 PolarHBondContact NH1-O 3.31Å; R215-A493 VanDerWaalsContact NH1-O 3.11Å; R215-A493 PolarHBondContact NH2-O 2.69Å; L220-A493 HydrophobicContact CD2-CB 4.19Å; A493-K495 VanDerWaalsContact C-N 3.29Å; A493-K495 PolarHBondContact O-N 2.84Å
494	R	91.8	Very high	91.8	Very high	121 Å²	121	73.7 Å²	73.7	46%	0.457	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.6	47.7	-173.5	-69	-178.9	73.2	173.5	5.9	112.8	L220 K496 E497 F498	L220-R494 HydrophobicContact CD1-CB 4.41Å; L220-R494 HydrophobicContact CD1-CG 4.42Å; L220-R494 HydrophobicContact CD2-CG 4.13Å; R494-K496 VanDerWaalsContact C-N 3.3Å; R494-K496 PolarHBondContact O-N 2.79Å; R494-E497 IonicContact CZ-OE1 3.8Å; R494-E497 VanDerWaalsContact CZ-OE1 3.29Å; R494-E497 IonicContact CZ-OE2 3.87Å; R494-E497 IonicContact NE-OE1 2.81Å; R494-E497 PolarHBondContact NE-OE1 3.46Å; R494-E497 VanDerWaalsContact NE-OE1 3.11Å; R494-E497 IonicContact NE-OE2 3.74Å; R494-E497 PolarHBondContact NE-OE2 3.24Å; R494-E497 IonicContact NH2-OE1 3.94Å; R494-E497 PolarHBondContact NH2-OE1 3.08Å; R494-E497 IonicContact NH2-OE2 2.85Å; R494-E497 PolarHBondContact NH2-OE2 3.12Å; R494-F498 PolarHBondContact O-N 3Å
495	K	91.9	Very high	92.1	Very high	92 Å²	92	71 Å²	71	40%	0.4	34%	0.335	S	S	.	.	H	α-helix	trans	-57.2	-35.1	-174.8	66.1	-176.8	-178	176.2	0	115.2	I487 I492 A493 F498 F499	I487-K495 HydrophobicContact CG2-CD 4.02Å; I487-K495 HydrophobicContact CG2-CG 4.47Å; I492-K495 HydrophobicContact CD1-CB 4Å; I492-K495 HydrophobicContact CG1-CB 3.44Å; I492-K495 VanDerWaalsContact CG1-CB 3.44Å; A493-K495 VanDerWaalsContact C-N 3.29Å; A493-K495 PolarHBondContact O-N 2.84Å; K495-F498 PolarHBondContact O-N 2.79Å; K495-F499 VanDerWaalsContact O-CB 3.25Å; K495-F499 WeakPolarHBondContact O-CB 3.25Å; K495-F499 PolarHBondContact O-N 2.85Å
496	K	91.2	Very high	92.3	Very high	151 Å²	151	67.3 Å²	67.3	66%	0.657	32%	0.318	S	S	*	.	H	α-helix	trans	-60.2	-51.7	-176	-173.1	179.6	176.1	-175.2	0	111.8	R494 F499 E500	R494-K496 VanDerWaalsContact C-N 3.3Å; R494-K496 PolarHBondContact O-N 2.79Å; K496-F499 PolarHBondContact O-N 2.9Å; K496-E500 WeakPolarHBondContact CE-OE1 3.46Å; K496-E500 WeakPolarHBondContact O-CG 3.38Å; K496-E500 PolarHBondContact O-N 3.08Å
497	E	91.1	Very high	92.2	Very high	87 Å²	87	70.8 Å²	70.8	41%	0.407	34%	0.335	S	S	.	.	H	α-helix	trans	-66.7	-40.1	-179.5	-67.1	166.8	-155.6	0	0	112.6	R494 F499 R501	R494-E497 IonicContact CZ-OE1 3.8Å; R494-E497 VanDerWaalsContact CZ-OE1 3.29Å; R494-E497 IonicContact CZ-OE2 3.87Å; R494-E497 IonicContact NE-OE1 2.81Å; R494-E497 PolarHBondContact NE-OE1 3.46Å; R494-E497 VanDerWaalsContact NE-OE1 3.11Å; R494-E497 IonicContact NE-OE2 3.74Å; R494-E497 PolarHBondContact NE-OE2 3.24Å; R494-E497 IonicContact NH2-OE1 3.94Å; R494-E497 PolarHBondContact NH2-OE1 3.08Å; R494-E497 IonicContact NH2-OE2 2.85Å; R494-E497 PolarHBondContact NH2-OE2 3.12Å; E497-F499 VanDerWaalsContact C-N 3.34Å; E497-R501 PolarHBondContact O-N 2.84Å
498	F	94.6	Very high	92.2	Very high	1 Å²	1	74 Å²	74	0%	0.004	35%	0.352	C	S	.	.	H	α-helix	trans	-61.4	-46.9	175.8	178.2	-95.1	0	0	0	110.7	W207 L208 M211 V223 L231 I492 R494 K495 R501 L502	W207-F498 HydrophobicContact CH2-CE2 4.34Å; W207-F498 HydrophobicContact CZ3-CE2 4.17Å; W207-F498 HydrophobicContact CZ3-CZ 4.27Å; L208-F498 HydrophobicContact CD1-CE2 4.14Å; L208-F498 HydrophobicContact CD1-CZ 4.14Å; M211-F498 HydrophobicContact CE-CB 4.23Å; M211-F498 HydrophobicContact CE-CD2 3.71Å; M211-F498 HydrophobicContact CE-CG 4.41Å; M211-F498 HydrophobicContact CG-CD2 3.72Å; M211-F498 HydrophobicContact CG-CE2 3.73Å; V223-F498 HydrophobicContact CB-CE2 4.08Å; V223-F498 HydrophobicContact CB-CZ 4.01Å; V223-F498 HydrophobicContact CG1-CE1 4.05Å; V223-F498 HydrophobicContact CG1-CE2 4.29Å; V223-F498 HydrophobicContact CG1-CZ 3.7Å; V223-F498 HydrophobicContact CG2-CD1 4.47Å; V223-F498 HydrophobicContact CG2-CD2 3.93Å; V223-F498 HydrophobicContact CG2-CE1 4.28Å; V223-F498 HydrophobicContact CG2-CE2 3.72Å; V223-F498 HydrophobicContact CG2-CG 4.31Å; V223-F498 HydrophobicContact CG2-CZ 3.91Å; L231-F498 HydrophobicContact CD1-CE1 3.97Å; I492-F498 HydrophobicContact CD1-CB 4.05Å; I492-F498 HydrophobicContact CD1-CD1 3.42Å; I492-F498 VanDerWaalsContact CD1-CD1 3.42Å; I492-F498 HydrophobicContact CD1-CE1 4.14Å; I492-F498 HydrophobicContact CD1-CG 3.91Å; R494-F498 PolarHBondContact O-N 3Å; K495-F498 PolarHBondContact O-N 2.79Å; F498-R501 PolarHBondContact O-N 3.19Å; F498-L502 HydrophobicContact CE1-CB 4.39Å; F498-L502 HydrophobicContact CE1-CD1 4.11Å; F498-L502 HydrophobicContact CE1-CD2 4.31Å; F498-L502 HydrophobicContact CZ-CD1 4.07Å; F498-L502 WeakPolarHBondContact O-CB 3.22Å; F498-L502 PolarHBondContact O-N 3.48Å
499	F	93.9	Very high	92.2	Very high	13 Å²	13	70.5 Å²	70.5	6%	0.057	33%	0.326	C	S	.	.	H	α-helix	trans	-68.6	-36.1	-178.5	-170.8	-92.9	0	0	0	112.9	L231 L235 L483 I486 I487 K495 K496 E497 R501 L502 R503	L231-F499 HydrophobicContact CD2-CD2 4.21Å; L231-F499 HydrophobicContact CD2-CE2 4.07Å; L235-F499 HydrophobicContact CD2-CE2 4.26Å; L235-F499 HydrophobicContact CD2-CZ 3.76Å; L483-F499 HydrophobicContact CD1-CE1 3.57Å; L483-F499 HydrophobicContact CD1-CZ 3.49Å; L483-F499 VanDerWaalsContact CD1-CZ 3.49Å; L483-F499 HydrophobicContact CD2-CE1 4.1Å; L483-F499 HydrophobicContact CG-CE1 3.75Å; L483-F499 HydrophobicContact CG-CZ 4.01Å; I486-F499 HydrophobicContact CG2-CE2 4.47Å; I487-F499 HydrophobicContact CD1-CD1 3.51Å; I487-F499 HydrophobicContact CD1-CD2 4.47Å; I487-F499 HydrophobicContact CD1-CE1 3.51Å; I487-F499 HydrophobicContact CD1-CE2 4.46Å; I487-F499 HydrophobicContact CD1-CG 4Å; I487-F499 HydrophobicContact CD1-CZ 3.99Å; I487-F499 HydrophobicContact CG1-CD1 3.77Å; I487-F499 HydrophobicContact CG1-CD2 3.8Å; I487-F499 HydrophobicContact CG1-CE1 3.72Å; I487-F499 HydrophobicContact CG1-CE2 3.74Å; I487-F499 HydrophobicContact CG1-CG 3.8Å; I487-F499 HydrophobicContact CG1-CZ 3.68Å; K495-F499 VanDerWaalsContact O-CB 3.25Å; K495-F499 WeakPolarHBondContact O-CB 3.25Å; K495-F499 PolarHBondContact O-N 2.85Å; K496-F499 PolarHBondContact O-N 2.9Å; E497-F499 VanDerWaalsContact C-N 3.34Å; F499-R501 PolarHBondContact O-N 2.97Å; F499-L502 HydrophobicContact CD2-CD2 4.31Å; F499-L502 PolarHBondContact O-N 3.48Å; F499-R503 HydrophobicContact CE1-CB 4.47Å; F499-R503 VanDerWaalsContact O-CB 3.29Å; F499-R503 WeakPolarHBondContact O-CB 3.3Å; F499-R503 PolarHBondContact O-N 3.18Å
500	E	92	Very high	92	Very high	108 Å²	108	64.7 Å²	64.7	51%	0.505	30%	0.301	S	S	.	.	H	α-helix	trans	-59.7	-45.2	173.3	-77.9	169.2	-176.3	0	0	111.5	K496 A504	K496-E500 WeakPolarHBondContact CE-OE1 3.46Å; K496-E500 WeakPolarHBondContact O-CG 3.38Å; K496-E500 PolarHBondContact O-N 3.08Å; E500-A504 WeakPolarHBondContact O-CB 3.25Å; E500-A504 PolarHBondContact O-N 2.91Å; E500-A504 VanDerWaalsContact O-N 3.1Å
501	R	94.9	Very high	91.5	Very high	141 Å²	141	72.7 Å²	72.7	53%	0.532	33%	0.33	S	S	.	.	H	α-helix	trans	-68.3	-41.1	174.8	-70	-170	178.9	-177.7	-1.8	112.5	W207 M211 E497 F498 F499 A504 F505	W207-R501 HydrophobicContact CH2-CB 4.47Å; W207-R501 HydrophobicContact CZ2-CB 4.05Å; M211-R501 HydrophobicContact CE-CB 4.46Å; E497-R501 PolarHBondContact O-N 2.84Å; F498-R501 PolarHBondContact O-N 3.19Å; F499-R501 PolarHBondContact O-N 2.97Å; R501-A504 PolarHBondContact O-N 3.06Å; R501-F505 WeakPolarHBondContact O-CB 3.49Å; R501-F505 PolarHBondContact O-N 3.39Å
502	L	95.7	Very high	91.1	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-60.8	-46	177.4	-171.9	85.5	0	0	0	111.3	W207 F228 L231 F232 L235 F498 F499 A504 F505 W506	W207-L502 HydrophobicContact CH2-CB 4.12Å; W207-L502 HydrophobicContact CH2-CD1 3.86Å; W207-L502 HydrophobicContact CZ3-CD1 3.73Å; F228-L502 HydrophobicContact CD2-CD1 3.48Å; F228-L502 VanDerWaalsContact CD2-CD1 3.48Å; F228-L502 HydrophobicContact CE2-CD1 3.44Å; F228-L502 VanDerWaalsContact CE2-CD1 3.44Å; F228-L502 HydrophobicContact CG-CD1 4.48Å; F228-L502 HydrophobicContact CZ-CD1 4.42Å; L231-L502 HydrophobicContact CB-CD2 3.42Å; L231-L502 VanDerWaalsContact CB-CD2 3.42Å; L231-L502 HydrophobicContact CD1-CD2 3.62Å; L231-L502 HydrophobicContact CG-CD2 4.08Å; F232-L502 HydrophobicContact CD2-CD1 3.94Å; F232-L502 HydrophobicContact CD2-CG 4.24Å; F232-L502 HydrophobicContact CE2-CD1 3.61Å; F232-L502 HydrophobicContact CE2-CG 3.94Å; L235-L502 HydrophobicContact CD1-CD2 4.21Å; F498-L502 HydrophobicContact CE1-CB 4.39Å; F498-L502 HydrophobicContact CE1-CD1 4.11Å; F498-L502 HydrophobicContact CE1-CD2 4.31Å; F498-L502 HydrophobicContact CZ-CD1 4.07Å; F498-L502 WeakPolarHBondContact O-CB 3.22Å; F498-L502 PolarHBondContact O-N 3.48Å; F499-L502 HydrophobicContact CD2-CD2 4.31Å; F499-L502 PolarHBondContact O-N 3.48Å; L502-A504 PolarHBondContact O-N 3.44Å; L502-F505 PolarHBondContact O-N 2.91Å; L502-W506 PolarHBondContact O-N 3.17Å
503	R	91.8	Very high	90.4	Very high	86 Å²	86	70.9 Å²	70.9	33%	0.325	33%	0.327	S	S	.	.	H	α-helix	trans	-62.4	-43.4	177.1	-177.3	-176.5	175.8	-144.1	-0.7	111	F499 F505 W506 M507	F499-R503 HydrophobicContact CE1-CB 4.47Å; F499-R503 VanDerWaalsContact O-CB 3.29Å; F499-R503 WeakPolarHBondContact O-CB 3.3Å; F499-R503 PolarHBondContact O-N 3.18Å; R503-F505 VanDerWaalsContact C-N 3.3Å; R503-F505 PolarHBondContact O-N 3.27Å; R503-W506 PolarHBondContact O-N 3.44Å; R503-M507 HydrophobicContact CG-SD 4.47Å; R503-M507 WeakPolarHBondContact O-CB 3.45Å; R503-M507 VanDerWaalsContact O-CG 3.3Å; R503-M507 WeakPolarHBondContact O-CG 3.29Å; R503-M507 PolarHBondContact O-N 3.48Å
504	A	91.3	Very high	89.7	Confident	50 Å²	50	73.5 Å²	73.5	41%	0.413	33%	0.33	S	S	.	.	H	α-helix	trans	-61	-41.8	175.2	0	0	0	0	0	111.4	E500 R501 L502 M507 L508	E500-A504 WeakPolarHBondContact O-CB 3.25Å; E500-A504 PolarHBondContact O-N 2.91Å; E500-A504 VanDerWaalsContact O-N 3.1Å; R501-A504 PolarHBondContact O-N 3.06Å; L502-A504 PolarHBondContact O-N 3.44Å; A504-M507 PolarHBondContact O-N 3.35Å; A504-L508 VanDerWaalsContact O-CG 3.31Å; A504-L508 WeakPolarHBondContact O-CG 3.19Å; A504-L508 PolarHBondContact O-N 3.46Å
505	F	95.9	Very high	88.9	Confident	14 Å²	14	67.7 Å²	67.7	6%	0.061	31%	0.308	C	S	.	.	H	α-helix	trans	-65.4	-47.1	176.2	-177.7	-124.1	0	0	0	112.6	E203 D204 W207 F228 F232 R501 L502 R503 M507 L508 K509	E203-F505 HydrophobicContact CG-CE2 4.42Å; E203-F505 HydrophobicContact CG-CZ 4.14Å; D204-F505 VanDerWaalsContact OD1-CE1 3.32Å; D204-F505 WeakPolarHBondContact OD1-CE1 3.4Å; W207-F505 HydrophobicContact CB-CD1 4.38Å; W207-F505 HydrophobicContact CB-CE1 3.82Å; W207-F505 HydrophobicContact CB-CE2 4.19Å; W207-F505 HydrophobicContact CB-CZ 3.71Å; W207-F505 AromaticContact CD1-CD1 3.95Å; W207-F505 AromaticContact CD1-CD2 3.43Å; W207-F505 VanDerWaalsContact CD1-CD2 3.43Å; W207-F505 AromaticContact CD1-CE2 3.62Å; W207-F505 AromaticContact CD1-CG 3.62Å; W207-F505 AromaticContact CD1-CZ 3.96Å; W207-F505 HydrophobicContact CD2-CB 4.39Å; W207-F505 AromaticContact CD2-CD1 3.61Å; W207-F505 HydrophobicContact CD2-CD1 3.61Å; W207-F505 HydrophobicContact CD2-CD2 4.46Å; W207-F505 AromaticContact CD2-CE1 3.95Å; W207-F505 HydrophobicContact CD2-CE1 3.95Å; W207-F505 AromaticContact CD2-CG 3.9Å; W207-F505 HydrophobicContact CD2-CG 3.9Å; W207-F505 AromaticContact CE2-CD1 3.8Å; W207-F505 AromaticContact CE2-CG 3.64Å; W207-F505 HydrophobicContact CE3-CD1 4.05Å; W207-F505 HydrophobicContact CE3-CE1 4.38Å; W207-F505 AromaticContact CG-CD1 3.74Å; W207-F505 HydrophobicContact CG-CD1 3.74Å; W207-F505 AromaticContact CG-CD2 4Å; W207-F505 HydrophobicContact CG-CD2 4Å; W207-F505 AromaticContact CG-CE1 3.68Å; W207-F505 HydrophobicContact CG-CE1 3.68Å; W207-F505 AromaticContact CG-CE2 3.95Å; W207-F505 HydrophobicContact CG-CE2 3.95Å; W207-F505 AromaticContact CG-CG 3.91Å; W207-F505 HydrophobicContact CG-CG 3.91Å; W207-F505 AromaticContact CG-CZ 3.79Å; W207-F505 HydrophobicContact CG-CZ 3.79Å; W207-F505 HydrophobicContact CZ2-CB 3.81Å; W207-F505 HydrophobicContact CZ2-CD1 4.39Å; W207-F505 HydrophobicContact CZ2-CG 4.24Å; W207-F505 AromaticContact NE1-CD1 3.98Å; W207-F505 AromaticContact NE1-CD2 3.59Å; W207-F505 AromaticContact NE1-CG 3.44Å; F228-F505 HydrophobicContact CE2-CD1 4.34Å; F228-F505 HydrophobicContact CE2-CE1 4.37Å; F228-F505 HydrophobicContact CZ-CD1 4.25Å; F228-F505 AromaticContact CZ-CE1 3.97Å; F228-F505 HydrophobicContact CZ-CE1 3.97Å; F232-F505 AromaticContact CE2-CD1 3.97Å; F232-F505 HydrophobicContact CE2-CD1 3.97Å; F232-F505 HydrophobicContact CE2-CE1 4.46Å; F232-F505 AromaticContact CZ-CD1 3.55Å; F232-F505 HydrophobicContact CZ-CD1 3.55Å; F232-F505 AromaticContact CZ-CE1 3.92Å; F232-F505 HydrophobicContact CZ-CE1 3.92Å; F232-F505 HydrophobicContact CZ-CG 4.46Å; R501-F505 WeakPolarHBondContact O-CB 3.49Å; R501-F505 PolarHBondContact O-N 3.39Å; L502-F505 PolarHBondContact O-N 2.91Å; R503-F505 VanDerWaalsContact C-N 3.3Å; R503-F505 PolarHBondContact O-N 3.27Å; F505-M507 VanDerWaalsContact C-N 3.3Å; F505-M507 PolarHBondContact O-N 3.39Å; F505-L508 CarbonylContact O-C 3.02Å; F505-L508 WeakPolarHBondContact O-CA 3.36Å; F505-L508 WeakPolarHBondContact O-CB 3.42Å; F505-L508 PolarHBondContact O-N 3.05Å; F505-K509 HydrophobicContact CE1-CD 3.9Å; F505-K509 HydrophobicContact CE1-CG 4.39Å; F505-K509 HydrophobicContact CE2-CD 4.32Å; F505-K509 HydrophobicContact CE2-CG 4.07Å; F505-K509 HydrophobicContact CZ-CD 3.74Å; F505-K509 HydrophobicContact CZ-CG 4.01Å; F505-K509 PolarHBondContact O-N 3.35Å
506	W	93.7	Very high	88.3	Confident	3 Å²	3	64.3 Å²	64.3	1%	0.011	30%	0.296	C	S	.	.	H	α-helix	trans	-56.1	-43.3	172.6	169.6	80.3	0	0	0	111.8	F232 L235 E236 P476 I478 L502 R503 L508 K509 R510	F232-W506 HydrophobicContact CD1-CB 4.45Å; F232-W506 AromaticContact CD1-CD1 3.8Å; F232-W506 HydrophobicContact CE1-CB 3.84Å; F232-W506 AromaticContact CE1-CD1 3.8Å; F232-W506 HydrophobicContact CE1-CG 4.24Å; F232-W506 HydrophobicContact CE2-CB 4.25Å; F232-W506 HydrophobicContact CZ-CB 3.72Å; L235-W506 HydrophobicContact CB-CD2 4.06Å; L235-W506 HydrophobicContact CB-CG 4.19Å; L235-W506 HydrophobicContact CD1-CB 3.9Å; L235-W506 HydrophobicContact CD1-CD2 4.29Å; L235-W506 HydrophobicContact CD1-CG 3.95Å; E236-W506 PolarHBondContact OE2-NE1 2.94Å; P476-W506 HydrophobicContact CB-CH2 4.26Å; P476-W506 HydrophobicContact CG-CH2 4.31Å; I478-W506 HydrophobicContact CD1-CH2 3.87Å; I478-W506 HydrophobicContact CD1-CZ2 4.48Å; I478-W506 HydrophobicContact CD1-CZ3 3.91Å; I478-W506 HydrophobicContact CG1-CH2 4.23Å; L502-W506 PolarHBondContact O-N 3.17Å; R503-W506 PolarHBondContact O-N 3.44Å; W506-L508 VanDerWaalsContact C-N 3.34Å; W506-L508 PolarHBondContact O-N 2.99Å; W506-K509 PolarHBondContact O-N 3.41Å; W506-R510 HydrophobicContact CD2-CG 4.29Å; W506-R510 HydrophobicContact CZ2-CG 3.96Å; W506-R510 WeakPolarHBondContact O-CG 3.2Å; W506-R510 PolarHBondContact O-N 3.46Å
507	M	88	Confident	87.9	Confident	77 Å²	77	58 Å²	58	38%	0.379	27%	0.27	S	S	.	.	H	α-helix	trans	-63.5	-38.1	174.8	-73.9	-177.8	67.5	0	0	112.5	R503 A504 F505 R510 R511	R503-M507 HydrophobicContact CG-SD 4.47Å; R503-M507 WeakPolarHBondContact O-CB 3.45Å; R503-M507 VanDerWaalsContact O-CG 3.3Å; R503-M507 WeakPolarHBondContact O-CG 3.29Å; R503-M507 PolarHBondContact O-N 3.48Å; A504-M507 PolarHBondContact O-N 3.35Å; F505-M507 VanDerWaalsContact C-N 3.3Å; F505-M507 PolarHBondContact O-N 3.39Å; M507-R510 PolarHBondContact O-N 3.31Å; M507-R511 WeakPolarHBondContact O-CB 3.42Å; M507-R511 PolarHBondContact O-N 2.85Å
508	L	90.7	Very high	87.7	Confident	107 Å²	107	55.2 Å²	55.2	56%	0.56	26%	0.257	S	S	*	.	H	α-helix	trans	-66.6	-41.8	174.7	-73.1	170.5	0	0	0	111.7	A504 F505 W506 R511 S512	A504-L508 VanDerWaalsContact O-CG 3.31Å; A504-L508 WeakPolarHBondContact O-CG 3.19Å; A504-L508 PolarHBondContact O-N 3.46Å; F505-L508 CarbonylContact O-C 3.02Å; F505-L508 WeakPolarHBondContact O-CA 3.36Å; F505-L508 WeakPolarHBondContact O-CB 3.42Å; F505-L508 PolarHBondContact O-N 3.05Å; W506-L508 VanDerWaalsContact C-N 3.34Å; W506-L508 PolarHBondContact O-N 2.99Å; L508-R511 CarbonylContact O-C 3.42Å; L508-R511 WeakPolarHBondContact O-CB 3.34Å; L508-R511 PolarHBondContact O-N 3.19Å; L508-S512 PolarHBondContact O-N 3.19Å
509	K	91.4	Very high	87.2	Confident	9 Å²	9	55.4 Å²	55.4	4%	0.039	26%	0.258	C	S	.	.	H	α-helix	trans	-64.9	-41.1	173.6	-70.6	-163.5	82.3	176.2	0	112.3	Y198 D201 D204 F232 F505 W506 R511 S512 R513 L518	Y198-K509 PolarHBondContact OH-NZ 2.91Å; D201-K509 IonicContact OD1-NZ 2.95Å; D201-K509 PolarHBondContact OD1-NZ 3.5Å; D201-K509 IonicContact OD2-NZ 2.85Å; D201-K509 PolarHBondContact OD2-NZ 2.86Å; D204-K509 VanDerWaalsContact OD1-CD 3.31Å; D204-K509 WeakPolarHBondContact OD1-CD 3.26Å; D204-K509 IonicContact OD1-NZ 3.09Å; D204-K509 PolarHBondContact OD1-NZ 3.32Å; D204-K509 IonicContact OD2-NZ 2.7Å; D204-K509 PolarHBondContact OD2-NZ 2.84Å; F232-K509 HydrophobicContact CE1-CD 3.99Å; F232-K509 HydrophobicContact CZ-CD 4.32Å; F505-K509 HydrophobicContact CE1-CD 3.9Å; F505-K509 HydrophobicContact CE1-CG 4.39Å; F505-K509 HydrophobicContact CE2-CD 4.32Å; F505-K509 HydrophobicContact CE2-CG 4.07Å; F505-K509 HydrophobicContact CZ-CD 3.74Å; F505-K509 HydrophobicContact CZ-CG 4.01Å; F505-K509 PolarHBondContact O-N 3.35Å; W506-K509 PolarHBondContact O-N 3.41Å; K509-R511 VanDerWaalsContact C-N 3.29Å; K509-R511 PolarHBondContact O-N 3.35Å; K509-S512 PolarHBondContact O-N 3.41Å; K509-S512 PolarHBondContact O-OG 2.93Å; K509-R513 PolarHBondContact O-N 2.89Å; K509-L518 HydrophobicContact CB-CD1 4.39Å; K509-L518 HydrophobicContact CB-CD2 4.44Å
510	R	85.3	Confident	86.4	Confident	6 Å²	6	64.7 Å²	64.7	2%	0.023	29%	0.293	C	S	.	.	H	α-helix	trans	-58.4	-45.6	171	-74.1	-65.3	-65.5	-109.8	-0.5	110.1	E236 S239 W506 M507 R513 F514 G515 V516 L518	E236-R510 IonicContact OE1-CZ 3.18Å; E236-R510 IonicContact OE1-NH1 3.94Å; E236-R510 PolarHBondContact OE1-NH1 2.91Å; E236-R510 WeakPolarHBondContact OE2-CD 3.32Å; E236-R510 IonicContact OE2-CZ 2.68Å; E236-R510 IonicContact OE2-NH1 3.11Å; E236-R510 PolarHBondContact OE2-NH1 3.15Å; S239-R510 PolarHBondContact OG-NH1 3.14Å; W506-R510 HydrophobicContact CD2-CG 4.29Å; W506-R510 HydrophobicContact CZ2-CG 3.96Å; W506-R510 WeakPolarHBondContact O-CG 3.2Å; W506-R510 PolarHBondContact O-N 3.46Å; M507-R510 PolarHBondContact O-N 3.31Å; R510-R513 CarbonylContact O-C 3.54Å; R510-R513 PolarHBondContact O-N 3.38Å; R510-F514 PolarHBondContact O-N 2.79Å; R510-G515 PolarHBondContact NE-O 2.92Å; R510-G515 PolarHBondContact NH2-O 3.44Å; R510-G515 VanDerWaalsContact O-CA 3.23Å; R510-G515 WeakPolarHBondContact O-CA 3.5Å; R510-G515 PolarHBondContact O-N 2.84Å; R510-V516 PolarHBondContact NE-O 3.25Å; R510-L518 HydrophobicContact CG-CG 4.49Å
511	R	79.5	Confident	85.3	Confident	182 Å²	182	63.5 Å²	63.5	69%	0.687	28%	0.284	S	S	*	.	H	α-helix	trans	-64.3	-41.7	178.5	-175.1	177.4	179.4	-178.4	-0.4	113	M507 L508 K509 R513 F514	M507-R511 WeakPolarHBondContact O-CB 3.42Å; M507-R511 PolarHBondContact O-N 2.85Å; L508-R511 CarbonylContact O-C 3.42Å; L508-R511 WeakPolarHBondContact O-CB 3.34Å; L508-R511 PolarHBondContact O-N 3.19Å; K509-R511 VanDerWaalsContact C-N 3.29Å; K509-R511 PolarHBondContact O-N 3.35Å; R511-R513 PolarHBondContact O-N 3.25Å; R511-F514 WeakPolarHBondContact O-CA 3.23Å; R511-F514 PolarHBondContact O-N 2.92Å
512	S	82.4	Confident	84.2	Confident	76 Å²	76	58.8 Å²	58.8	53%	0.531	27%	0.269	S	S	.	.	H	α-helix	trans	-64	-24.6	177.9	70.5	0	0	0	0	112.3	L508 K509	L508-S512 PolarHBondContact O-N 3.19Å; K509-S512 PolarHBondContact O-N 3.41Å; K509-S512 PolarHBondContact O-OG 2.93Å
513	R	79	Confident	82.9	Confident	120 Å²	120	61.9 Å²	61.9	45%	0.453	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	23	170.3	-59.6	-177.2	71.3	95.2	0.9	113.6	K509 R510 R511 G515 V516	K509-R513 PolarHBondContact O-N 2.89Å; R510-R513 CarbonylContact O-C 3.54Å; R510-R513 PolarHBondContact O-N 3.38Å; R511-R513 PolarHBondContact O-N 3.25Å; R513-G515 PolarHBondContact O-N 3Å; R513-V516 HydrophobicContact CB-CB 4.31Å; R513-V516 WeakPolarHBondContact O-CB 3.46Å; R513-V516 VanDerWaalsContact O-CG2 3.24Å; R513-V516 WeakPolarHBondContact O-CG2 3.18Å; R513-V516 PolarHBondContact O-N 3.35Å
514	F	76.8	Confident	81.2	Confident	99 Å²	99	61.5 Å²	61.5	43%	0.434	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	23.6	-179.7	-51.9	-74.8	0	0	0	114.8	L304 S305 P306 S307 E308 R510 R511	L304-F514 WeakPolarHBondContact O-CB 3.22Å; S305-F514 CarbonylContact C-O 3.59Å; P306-F514 WeakPolarHBondContact CD-O 3.33Å; P306-F514 WeakPolarHBondContact CG-O 3.21Å; S307-F514 PolarHBondContact N-O 3.05Å; E308-F514 HydrophobicContact CB-CD1 4.06Å; E308-F514 WeakPolarHBondContact OE2-CD1 3.43Å; E308-F514 VanDerWaalsContact OE2-CE1 3.3Å; E308-F514 WeakPolarHBondContact OE2-CE1 3.31Å; R510-F514 PolarHBondContact O-N 2.79Å; R511-F514 WeakPolarHBondContact O-CA 3.23Å; R511-F514 PolarHBondContact O-N 2.92Å
515	G	76.2	Confident	79.3	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.2	1.5	-178.6	0	0	0	0	0	115.1	P306 S307 R510 R513	P306-G515 WeakPolarHBondContact CG-O 3.43Å; S307-G515 WeakPolarHBondContact OG-CA 3.35Å; R510-G515 PolarHBondContact NE-O 2.92Å; R510-G515 PolarHBondContact NH2-O 3.44Å; R510-G515 VanDerWaalsContact O-CA 3.23Å; R510-G515 WeakPolarHBondContact O-CA 3.5Å; R510-G515 PolarHBondContact O-N 2.84Å; R513-G515 PolarHBondContact O-N 3Å
516	V	79.5	Confident	77.1	Confident	21 Å²	21	61.7 Å²	61.7	13%	0.127	29%	0.286	C	S	.	.			trans	-58.7	136.6	175.6	178.4	0	0	0	0	110	L303 L304 R510 R513 Q523	L303-V516 WeakPolarHBondContact O-CG2 3.23Å; L304-V516 WeakPolarHBondContact O-CG2 3.3Å; R510-V516 PolarHBondContact NE-O 3.25Å; R513-V516 HydrophobicContact CB-CB 4.31Å; R513-V516 WeakPolarHBondContact O-CB 3.46Å; R513-V516 VanDerWaalsContact O-CG2 3.24Å; R513-V516 WeakPolarHBondContact O-CG2 3.18Å; R513-V516 PolarHBondContact O-N 3.35Å; V516-Q523 HydrophobicContact CG1-CG 3.95Å
517	P	82.4	Confident	74.6	Confident	18 Å²	18	65.7 Å²	65.7	12%	0.117	31%	0.305	C	S	.	.			trans	-53	143.8	176.2	-28.7	36.4	0	0	0	113.2	E236 L522 Q523	E236-P517 VanDerWaalsContact OE1-C 3.29Å; E236-P517 WeakPolarHBondContact OE1-CA 3.29Å; E236-P517 WeakPolarHBondContact OE1-CB 3.13Å; P517-L522 HydrophobicContact CB-CB 3.77Å; P517-L522 HydrophobicContact CG-CB 4.3Å; P517-Q523 HydrophobicContact CB-CG 4.18Å; P517-Q523 WeakPolarHBondContact O-CG 3.4Å; P517-Q523 PolarHBondContact O-NE2 3.01Å
518	L	86.6	Confident	72.4	Confident	28 Å²	28	65 Å²	65	15%	0.147	31%	0.305	C	S	.	.	S	Bend	trans	-77.7	-33.4	178.5	-54.7	-177.2	0	0	0	111.7	Y198 F232 E236 K509 R510	Y198-L518 HydrophobicContact CD2-CB 4.29Å; Y198-L518 HydrophobicContact CE2-CB 3.88Å; Y198-L518 HydrophobicContact CE2-CD1 3.85Å; Y198-L518 HydrophobicContact CE2-CG 4.49Å; F232-L518 HydrophobicContact CD1-CD1 3.86Å; F232-L518 HydrophobicContact CE1-CD1 3.89Å; E236-L518 VanDerWaalsContact CD-N 3.33Å; E236-L518 HydrophobicContact CG-CB 4.23Å; E236-L518 PolarHBondContact OE1-N 3.45Å; K509-L518 HydrophobicContact CB-CD1 4.39Å; K509-L518 HydrophobicContact CB-CD2 4.44Å; R510-L518 HydrophobicContact CG-CG 4.49Å
519	L	85	Confident	70.1	Confident	5 Å²	5	63 Å²	63	3%	0.026	31%	0.305	C	S	.	.	S	Bend	trans	-78.8	125.9	176.9	-70.2	177	0	0	0	111.2	E197 Y198 E236 K237 R521 L522 Q523	E197-L519 HydrophobicContact CB-CD2 3.69Å; Y198-L519 HydrophobicContact CD2-CD2 4.41Å; E236-L519 HydrophobicContact CB-CD1 4.2Å; E236-L519 HydrophobicContact CB-CG 4.29Å; E236-L519 HydrophobicContact CG-CB 4.14Å; E236-L519 HydrophobicContact CG-CD1 3.92Å; E236-L519 HydrophobicContact CG-CG 3.7Å; K237-L519 HydrophobicContact CD-CD1 4.32Å; K237-L519 HydrophobicContact CG-CD1 3.71Å; L519-R521 VanDerWaalsContact C-N 3.28Å; L519-R521 PolarHBondContact O-N 2.73Å; L519-L522 HydrophobicContact CB-CB 4.33Å; L519-L522 HydrophobicContact CB-CD1 4.09Å; L519-L522 HydrophobicContact CB-CG 4.02Å; L519-L522 HydrophobicContact CD1-CD1 4.04Å; L519-L522 HydrophobicContact CD1-CG 4.43Å; L519-L522 PolarHBondContact O-N 2.88Å; L519-Q523 PolarHBondContact O-N 3.28Å
520	R	75.8	Confident	67.3	Low	208 Å²	208	70.6 Å²	70.6	79%	0.785	33%	0.333	S	S	*	.	H	α-helix	trans	-57.5	-38.3	-179.1	-169.5	177.1	-176.4	-177.7	1.6	112.8	Q523 V524	R520-Q523 WeakPolarHBondContact O-CB 3.37Å; R520-Q523 PolarHBondContact O-N 2.98Å; R520-V524 WeakPolarHBondContact O-CG2 3.4Å; R520-V524 PolarHBondContact O-N 3.19Å
521	R	70.2	Confident	65.2	Low	83 Å²	83	71.4 Å²	71.4	31%	0.313	34%	0.337	S	S	.	.	H	α-helix	trans	-62.9	-43.3	176.4	-174.3	-179.1	62.6	-120	-17.9	111.1	E197 L519 Q523 V524 S525	E197-R521 VanDerWaalsContact CD-CZ 3.45Å; E197-R521 IonicContact OE1-CZ 3.71Å; E197-R521 IonicContact OE1-NH1 3.52Å; E197-R521 PolarHBondContact OE1-NH1 3.48Å; E197-R521 IonicContact OE1-NH2 2.97Å; E197-R521 PolarHBondContact OE1-NH2 3.26Å; E197-R521 IonicContact OE2-CZ 2.82Å; E197-R521 IonicContact OE2-NE 2.7Å; E197-R521 IonicContact OE2-NH1 3.76Å; E197-R521 PolarHBondContact OE2-NH1 3.25Å; E197-R521 IonicContact OE2-NH2 3.73Å; E197-R521 PolarHBondContact OE2-NH2 3.45Å; L519-R521 VanDerWaalsContact C-N 3.28Å; L519-R521 PolarHBondContact O-N 2.73Å; R521-Q523 PolarHBondContact O-N 3.28Å; R521-V524 CarbonylContact O-C 3.59Å; R521-V524 PolarHBondContact O-N 3.03Å; R521-S525 VanDerWaalsContact O-CB 3.22Å; R521-S525 WeakPolarHBondContact O-CB 3.25Å; R521-S525 PolarHBondContact O-N 3.25Å; R521-S525 PolarHBondContact O-OG 3.34Å
522	L	70.6	Confident	63.5	Low	42 Å²	42	67.7 Å²	67.7	22%	0.22	34%	0.335	C	S	.	.	H	α-helix	trans	-67.3	-22.8	179.8	-61.8	-177.9	0	0	0	113.1	E236 P517 L519 V524	E236-L522 HydrophobicContact CG-CD1 3.95Å; P517-L522 HydrophobicContact CB-CB 3.77Å; P517-L522 HydrophobicContact CG-CB 4.3Å; L519-L522 HydrophobicContact CB-CB 4.33Å; L519-L522 HydrophobicContact CB-CD1 4.09Å; L519-L522 HydrophobicContact CB-CG 4.02Å; L519-L522 HydrophobicContact CD1-CD1 4.04Å; L519-L522 HydrophobicContact CD1-CG 4.43Å; L519-L522 PolarHBondContact O-N 2.88Å; L522-V524 VanDerWaalsContact C-N 3.3Å
523	Q	68	Low	61.6	Low	66 Å²	66	67.9 Å²	67.9	31%	0.308	34%	0.336	S	S	.	.	H	α-helix	trans	-70.4	-27	170.6	-60.7	168.9	-2.5	0	0	112.5	V516 P517 L519 R520 R521	V516-Q523 HydrophobicContact CG1-CG 3.95Å; P517-Q523 HydrophobicContact CB-CG 4.18Å; P517-Q523 WeakPolarHBondContact O-CG 3.4Å; P517-Q523 PolarHBondContact O-NE2 3.01Å; L519-Q523 PolarHBondContact O-N 3.28Å; R520-Q523 WeakPolarHBondContact O-CB 3.37Å; R520-Q523 PolarHBondContact O-N 2.98Å; R521-Q523 PolarHBondContact O-N 3.28Å
524	V	56.4	Low	59.6	Low	77 Å²	77	67.2 Å²	67.2	47%	0.467	34%	0.335	S	S	.	.	H	α-helix	trans	-106.1	-35.1	-174.3	-177.5	0	0	0	0	112.4	R520 R521 L522 Q526 Q527	R520-V524 WeakPolarHBondContact O-CG2 3.4Å; R520-V524 PolarHBondContact O-N 3.19Å; R521-V524 CarbonylContact O-C 3.59Å; R521-V524 PolarHBondContact O-N 3.03Å; L522-V524 VanDerWaalsContact C-N 3.3Å; V524-Q526 PolarHBondContact O-N 2.82Å; V524-Q526 VanDerWaalsContact O-N 3.13Å; V524-Q527 WeakPolarHBondContact O-CB 3.35Å; V524-Q527 WeakPolarHBondContact O-CG 3.44Å; V524-Q527 PolarHBondContact O-N 2.84Å
525	S	51.9	Low	58.2	Low	29 Å²	29	72.3 Å²	72.3	20%	0.203	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-73.8	-4.3	-167	76.1	0	0	0	0	115	R521 Q527 T528 A529	R521-S525 VanDerWaalsContact O-CB 3.22Å; R521-S525 WeakPolarHBondContact O-CB 3.25Å; R521-S525 PolarHBondContact O-N 3.25Å; R521-S525 PolarHBondContact O-OG 3.34Å; S525-Q527 PolarHBondContact O-N 3.45Å; S525-T528 WeakPolarHBondContact CA-OG1 3.17Å; S525-T528 PolarHBondContact O-N 2.92Å; S525-T528 VanDerWaalsContact O-N 3.1Å; S525-T528 PolarHBondContact O-OG1 2.93Å; S525-A529 PolarHBondContact O-N 3.5Å
526	Q	48.8	Very low	56.8	Low	39 Å²	39	77.5 Å²	77.5	18%	0.182	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-60.2	-22.8	163.5	-72.5	172.1	-11.6	0	0	111.1	Q296 L298 V524	Q296-Q526 HydrophobicContact CB-CB 4.32Å; Q296-Q526 PolarHBondContact N-O 3.34Å; Q296-Q526 VanDerWaalsContact O-O 3.05Å; L298-Q526 VanDerWaalsContact CD1-CD 3.47Å; L298-Q526 VanDerWaalsContact CG-OE1 3.26Å; V524-Q526 PolarHBondContact O-N 2.82Å; V524-Q526 VanDerWaalsContact O-N 3.13Å
527	Q	41.8	Very low	56.1	Low	87 Å²	87	81.4 Å²	81.4	41%	0.407	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-82.7	-2.2	173.9	-60.2	-179	-4.3	0	0	115.6	P293 E294 V524 S525	P293-Q527 HydrophobicContact CB-CB 4.22Å; P293-Q527 HydrophobicContact CB-CG 4.06Å; E294-Q527 CarbonylContact O-C 3.47Å; V524-Q527 WeakPolarHBondContact O-CB 3.35Å; V524-Q527 WeakPolarHBondContact O-CG 3.44Å; V524-Q527 PolarHBondContact O-N 2.84Å; S525-Q527 PolarHBondContact O-N 3.45Å
528	T	42	Very low	55.3	Low	63 Å²	63	84.6 Å²	84.6	39%	0.387	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131	-5.6	-172.4	55.1	0	0	0	0	115.4	S525 R530 I531	S525-T528 WeakPolarHBondContact CA-OG1 3.17Å; S525-T528 PolarHBondContact O-N 2.92Å; S525-T528 VanDerWaalsContact O-N 3.1Å; S525-T528 PolarHBondContact O-OG1 2.93Å; T528-R530 PolarHBondContact O-N 3.35Å; T528-I531 HydrophobicContact CG2-CD1 4.02Å; T528-I531 PolarHBondContact O-N 3.32Å; T528-I531 VanDerWaalsContact O-N 3.11Å
529	A	41.6	Very low	54.1	Low	66 Å²	66	86.4 Å²	86.4	55%	0.545	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-4.9	-171.4	0	0	0	0	0	116.1	S525	S525-A529 PolarHBondContact O-N 3.5Å
530	R	33.1	Very low	52.8	Low	167 Å²	167	87.1 Å²	87.1	63%	0.63	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.1	-0.9	173.3	-82.5	-169.1	178.8	167.4	1.4	116	T528 T532 S533	T528-R530 PolarHBondContact O-N 3.35Å; R530-T532 PolarHBondContact O-N 3.1Å; R530-S533 PolarHBondContact O-N 3.49Å; R530-S533 VanDerWaalsContact O-N 3.08Å; R530-S533 PolarHBondContact O-OG 3.03Å; R530-S533 VanDerWaalsContact O-OG 3.04Å
531	I	41.3	Very low	52.5	Low	23 Å²	23	82.4 Å²	82.4	12%	0.118	43%	0.43	C	S	.	.	G	3₁₀ helix	trans	-59.7	-32.7	176.7	-68.6	179.4	0	0	0	110.3	T528 S533 Y534 M540	T528-I531 HydrophobicContact CG2-CD1 4.02Å; T528-I531 PolarHBondContact O-N 3.32Å; T528-I531 VanDerWaalsContact O-N 3.11Å; I531-S533 PolarHBondContact O-N 2.89Å; I531-S533 VanDerWaalsContact O-N 3.17Å; I531-Y534 PolarHBondContact O-N 3.04Å; I531-M540 HydrophobicContact CB-CE 4.44Å; I531-M540 HydrophobicContact CG2-CE 3.17Å; I531-M540 HydrophobicContact CG2-SD 3.71Å; I531-M540 VanDerWaalsContact O-CE 3.22Å; I531-M540 WeakPolarHBondContact O-CE 3.34Å; I531-M540 VanDerWaalsContact O-SD 3.39Å
532	T	43.2	Very low	52.5	Low	105 Å²	105	87.2 Å²	87.2	64%	0.644	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-68.5	-10.1	177.6	45.6	0	0	0	0	115.6	R530	R530-T532 PolarHBondContact O-N 3.1Å
533	S	42.4	Very low	52.1	Low	79 Å²	79	87.1 Å²	87.1	55%	0.552	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-91.8	-10.9	179	76.1	0	0	0	0	114.6	R530 I531 R535	R530-S533 PolarHBondContact O-N 3.49Å; R530-S533 VanDerWaalsContact O-N 3.08Å; R530-S533 PolarHBondContact O-OG 3.03Å; R530-S533 VanDerWaalsContact O-OG 3.04Å; I531-S533 PolarHBondContact O-N 2.89Å; I531-S533 VanDerWaalsContact O-N 3.17Å; S533-R535 PolarHBondContact O-N 3.16Å
534	Y	38.5	Very low	52.1	Low	106 Å²	106	86.9 Å²	86.9	42%	0.416	44%	0.444	S	S	.	.			trans	-77	97.5	-179.2	-73.3	-70.8	0	0	0	110.9	I531 N536 M540	I531-Y534 PolarHBondContact O-N 3.04Å; Y534-N536 PolarHBondContact O-N 3.21Å; Y534-M540 HydrophobicContact CD2-SD 4.01Å; Y534-M540 HydrophobicContact CG-SD 4.25Å
535	R	46.5	Very low	52.8	Low	207 Å²	207	85.9 Å²	85.9	78%	0.781	44%	0.444	S	S	*	.			trans	-58.7	-8.6	165.7	-70.8	-178.2	176	152.7	-1.7	113.7	S533 T537 E783	S533-R535 PolarHBondContact O-N 3.16Å; R535-T537 PolarHBondContact O-N 2.98Å; R535-E783 IonicContact NH1-OE1 2.99Å; R535-E783 PolarHBondContact NH1-OE1 3.09Å
536	N	47.9	Very low	53.9	Low	108 Å²	108	90.7 Å²	90.7	58%	0.578	46%	0.461	S	S	*	.			trans	-90.1	91.9	178.5	-94.7	-32.2	0	0	0	112.2	Y534 S538 V539 M540	Y534-N536 PolarHBondContact O-N 3.21Å; N536-S538 PolarHBondContact O-N 2.81Å; N536-S538 VanDerWaalsContact O-N 3.11Å; N536-V539 HydrophobicContact CB-CG2 4.45Å; N536-V539 PolarHBondContact O-N 2.86Å; N536-M540 WeakPolarHBondContact O-CG 3.32Å; N536-M540 PolarHBondContact O-N 3.21Å
537	T	63.9	Low	55.1	Low	103 Å²	103	93.1 Å²	93.1	63%	0.632	47%	0.474	S	S	*	.	H	α-helix	trans	-52.6	-33.9	-179.1	-31	0	0	0	0	113.4	R535 I541	R535-T537 PolarHBondContact O-N 2.98Å; T537-I541 HydrophobicContact CG2-CD1 4.05Å; T537-I541 WeakPolarHBondContact O-CB 3.49Å; T537-I541 WeakPolarHBondContact O-CD1 3.32Å; T537-I541 WeakPolarHBondContact O-CG1 3.44Å; T537-I541 PolarHBondContact O-N 2.86Å
538	S	65.5	Low	56.7	Low	85 Å²	85	95.4 Å²	95.4	59%	0.594	48%	0.48	S	S	*	.	H	α-helix	trans	-72.4	-40.8	-176.5	61.9	0	0	0	0	114.1	N536 M540 R542	N536-S538 PolarHBondContact O-N 2.81Å; N536-S538 VanDerWaalsContact O-N 3.11Å; S538-M540 VanDerWaalsContact C-N 3.35Å; S538-R542 PolarHBondContact O-N 2.58Å; S538-R542 VanDerWaalsContact O-N 3.12Å
539	V	61.3	Low	58.3	Low	66 Å²	66	98.1 Å²	98.1	40%	0.4	49%	0.488	S	S	.	.	H	α-helix	trans	-67.7	-42.2	176.3	178.4	0	0	0	0	109.5	N536 R542 Q543	N536-V539 HydrophobicContact CB-CG2 4.45Å; N536-V539 PolarHBondContact O-N 2.86Å; V539-R542 PolarHBondContact O-N 3.44Å; V539-Q543 WeakPolarHBondContact O-CG 3.43Å; V539-Q543 PolarHBondContact O-N 2.73Å
540	M	57.3	Low	60.1	Low	21 Å²	21	99.4 Å²	99.4	10%	0.103	49%	0.485	C	S	.	.	H	α-helix	trans	-56.9	-52.5	173.7	-69.7	-65.1	-71.6	0	0	111.6	I531 Y534 N536 S538 R542 Q543 Y544	I531-M540 HydrophobicContact CB-CE 4.44Å; I531-M540 HydrophobicContact CG2-CE 3.17Å; I531-M540 HydrophobicContact CG2-SD 3.71Å; I531-M540 VanDerWaalsContact O-CE 3.22Å; I531-M540 WeakPolarHBondContact O-CE 3.34Å; I531-M540 VanDerWaalsContact O-SD 3.39Å; Y534-M540 HydrophobicContact CD2-SD 4.01Å; Y534-M540 HydrophobicContact CG-SD 4.25Å; N536-M540 WeakPolarHBondContact O-CG 3.32Å; N536-M540 PolarHBondContact O-N 3.21Å; S538-M540 VanDerWaalsContact C-N 3.35Å; M540-R542 PolarHBondContact O-N 2.71Å; M540-Q543 PolarHBondContact O-N 3.03Å; M540-Q543 VanDerWaalsContact O-N 3.11Å; M540-Y544 HydrophobicContact CB-CD2 4.28Å; M540-Y544 HydrophobicContact CB-CE2 4.14Å; M540-Y544 HydrophobicContact CE-CD2 4.43Å; M540-Y544 HydrophobicContact CE-CE2 3.39Å; M540-Y544 WeakPolarHBondContact CE-OH 3.48Å; M540-Y544 WeakPolarHBondContact O-CD2 3.44Å; M540-Y544 PolarHBondContact O-N 2.99Å
541	I	70.5	Confident	62.1	Low	109 Å²	109	93.6 Å²	93.6	56%	0.559	47%	0.473	S	S	*	.	H	α-helix	trans	-55.2	-41.8	176.9	-71.8	162.4	0	0	0	111	T537 A545	T537-I541 HydrophobicContact CG2-CD1 4.05Å; T537-I541 WeakPolarHBondContact O-CB 3.49Å; T537-I541 WeakPolarHBondContact O-CD1 3.32Å; T537-I541 WeakPolarHBondContact O-CG1 3.44Å; T537-I541 PolarHBondContact O-N 2.86Å; I541-A545 VanDerWaalsContact O-CB 3.31Å; I541-A545 WeakPolarHBondContact O-CB 3.31Å; I541-A545 PolarHBondContact O-N 3.19Å
542	R	70.4	Confident	64.2	Low	183 Å²	183	101.7 Å²	101.7	69%	0.691	50%	0.502	S	S	*	.	H	α-helix	trans	-68.4	-37.7	179.3	-169.5	176.7	-175.5	178.1	1.8	112.8	S538 V539 M540 K546	S538-R542 PolarHBondContact O-N 2.58Å; S538-R542 VanDerWaalsContact O-N 3.12Å; V539-R542 PolarHBondContact O-N 3.44Å; M540-R542 PolarHBondContact O-N 2.71Å; R542-K546 PolarHBondContact O-N 2.96Å
543	Q	62	Low	66.2	Low	41 Å²	41	99.5 Å²	99.5	19%	0.192	49%	0.488	C	S	.	.	H	α-helix	trans	-69.7	-44.2	175.6	-73.9	175.3	-15.2	0	0	111.3	E294 V539 M540 A545 K546 L547	E294-Q543 VanDerWaalsContact CD-NE2 3.33Å; E294-Q543 PolarHBondContact OE1-NE2 3.25Å; E294-Q543 PolarHBondContact OE2-NE2 2.82Å; E294-Q543 PolarHBondContact OE2-OE1 3.01Å; V539-Q543 WeakPolarHBondContact O-CG 3.43Å; V539-Q543 PolarHBondContact O-N 2.73Å; M540-Q543 PolarHBondContact O-N 3.03Å; M540-Q543 VanDerWaalsContact O-N 3.11Å; Q543-A545 VanDerWaalsContact C-N 3.33Å; Q543-A545 PolarHBondContact O-N 3.23Å; Q543-K546 WeakPolarHBondContact O-CB 3.42Å; Q543-K546 PolarHBondContact O-N 3.4Å; Q543-K546 VanDerWaalsContact O-N 3.12Å; Q543-L547 PolarHBondContact O-N 3.2Å
544	Y	67.8	Low	68	Low	61 Å²	61	99.6 Å²	99.6	24%	0.239	49%	0.489	C	S	.	.	H	α-helix	trans	-58.8	-44.5	172.4	-74.3	-60.1	0	0	0	111.4	L185 M540 K546 L547 W548	L185-Y544 HydrophobicContact CD1-CE1 4.02Å; L185-Y544 HydrophobicContact CD2-CD1 3.98Å; L185-Y544 HydrophobicContact CD2-CE1 3.66Å; L185-Y544 HydrophobicContact CG-CE1 3.92Å; M540-Y544 HydrophobicContact CB-CD2 4.28Å; M540-Y544 HydrophobicContact CB-CE2 4.14Å; M540-Y544 HydrophobicContact CE-CD2 4.43Å; M540-Y544 HydrophobicContact CE-CE2 3.39Å; M540-Y544 WeakPolarHBondContact CE-OH 3.48Å; M540-Y544 WeakPolarHBondContact O-CD2 3.44Å; M540-Y544 PolarHBondContact O-N 2.99Å; Y544-K546 PolarHBondContact O-N 3.44Å; Y544-L547 HydrophobicContact CD1-CD1 4.34Å; Y544-L547 PolarHBondContact O-N 3.18Å; Y544-W548 WeakPolarHBondContact O-CB 3.34Å; Y544-W548 PolarHBondContact O-N 2.96Å
545	A	71.5	Confident	70.4	Confident	56 Å²	56	100.9 Å²	100.9	46%	0.463	50%	0.502	S	S	.	.	H	α-helix	trans	-57	-37	176.3	0	0	0	0	0	112.6	I541 Q543 H549	I541-A545 VanDerWaalsContact O-CB 3.31Å; I541-A545 WeakPolarHBondContact O-CB 3.31Å; I541-A545 PolarHBondContact O-N 3.19Å; Q543-A545 VanDerWaalsContact C-N 3.33Å; Q543-A545 PolarHBondContact O-N 3.23Å; A545-H549 WeakPolarHBondContact O-CB 3.31Å; A545-H549 PolarHBondContact O-N 3.38Å
546	K	74.9	Confident	72.4	Confident	130 Å²	130	94.9 Å²	94.9	57%	0.565	48%	0.483	S	S	*	.	H	α-helix	trans	-67.7	-44.5	173.2	-71	178	179.4	-178.5	0	112.2	R542 Q543 Y544 W548 H549 N550	R542-K546 PolarHBondContact O-N 2.96Å; Q543-K546 WeakPolarHBondContact O-CB 3.42Å; Q543-K546 PolarHBondContact O-N 3.4Å; Q543-K546 VanDerWaalsContact O-N 3.12Å; Y544-K546 PolarHBondContact O-N 3.44Å; K546-W548 VanDerWaalsContact C-N 3.34Å; K546-W548 PolarHBondContact O-N 3Å; K546-H549 PolarHBondContact O-N 3.34Å; K546-N550 VanDerWaalsContact O-CG 3.27Å; K546-N550 PolarHBondContact O-N 2.94Å
547	L	73.1	Confident	74.3	Confident	89 Å²	89	95.2 Å²	95.2	47%	0.466	48%	0.483	S	S	.	.	H	α-helix	trans	-61.2	-44	177	-68.3	174	0	0	0	111.3	Q543 Y544 N550 A551	Q543-L547 PolarHBondContact O-N 3.2Å; Y544-L547 HydrophobicContact CD1-CD1 4.34Å; Y544-L547 PolarHBondContact O-N 3.18Å; L547-N550 PolarHBondContact O-N 3.28Å; L547-A551 WeakPolarHBondContact O-CB 3.42Å; L547-A551 PolarHBondContact O-N 2.68Å
548	W	76.2	Confident	75.5	Confident	136 Å²	136	92 Å²	92	52%	0.515	47%	0.47	S	S	.	.	H	α-helix	trans	-62.2	-41.3	174.3	-78.9	111.4	0	0	0	112.6	L180 Y544 K546 A551 R552	L180-W548 HydrophobicContact CD2-CH2 3.9Å; Y544-W548 WeakPolarHBondContact O-CB 3.34Å; Y544-W548 PolarHBondContact O-N 2.96Å; K546-W548 VanDerWaalsContact C-N 3.34Å; K546-W548 PolarHBondContact O-N 3Å; W548-A551 PolarHBondContact O-N 3.11Å; W548-R552 VanDerWaalsContact O-CB 3.31Å; W548-R552 WeakPolarHBondContact O-CB 3.32Å; W548-R552 PolarHBondContact O-N 2.85Å
549	H	76.5	Confident	76.7	Confident	120 Å²	120	93.1 Å²	93.1	56%	0.556	46%	0.461	S	S	*	.	H	α-helix	trans	-63.4	-42.6	175.1	-175.4	74.1	0	0	0	111.9	A545 K546 R552 T553	A545-H549 WeakPolarHBondContact O-CB 3.31Å; A545-H549 PolarHBondContact O-N 3.38Å; K546-H549 PolarHBondContact O-N 3.34Å; H549-R552 PolarHBondContact O-N 2.88Å; H549-T553 WeakPolarHBondContact O-CB 3.42Å; H549-T553 PolarHBondContact O-N 3.28Å; H549-T553 PolarHBondContact O-OG1 2.95Å
550	N	77.7	Confident	78.1	Confident	93 Å²	93	93.8 Å²	93.8	50%	0.497	46%	0.462	S	S	.	.	H	α-helix	trans	-65.2	-47.4	176.9	-70.1	-9.9	0	0	0	111.3	K546 L547 R552 T553 S554	K546-N550 VanDerWaalsContact O-CG 3.27Å; K546-N550 PolarHBondContact O-N 2.94Å; L547-N550 PolarHBondContact O-N 3.28Å; N550-R552 VanDerWaalsContact C-N 3.34Å; N550-R552 PolarHBondContact O-N 3.19Å; N550-T553 WeakPolarHBondContact O-CB 3.37Å; N550-T553 PolarHBondContact O-N 2.82Å; N550-T553 VanDerWaalsContact O-N 3.15Å; N550-S554 PolarHBondContact O-N 3.03Å; N550-S554 PolarHBondContact O-OG 2.85Å
551	A	76.9	Confident	79.7	Confident	45 Å²	45	96.7 Å²	96.7	37%	0.372	48%	0.481	S	S	.	.	H	α-helix	trans	-59.1	-44.3	176.6	0	0	0	0	0	111.6	L547 W548 T553 S554 L555	L547-A551 WeakPolarHBondContact O-CB 3.42Å; L547-A551 PolarHBondContact O-N 2.68Å; W548-A551 PolarHBondContact O-N 3.11Å; A551-T553 PolarHBondContact O-N 3.38Å; A551-S554 PolarHBondContact O-N 3.49Å; A551-L555 WeakPolarHBondContact O-CB 3.44Å; A551-L555 VanDerWaalsContact O-CG 3.31Å; A551-L555 WeakPolarHBondContact O-CG 3.36Å; A551-L555 PolarHBondContact O-N 3.11Å
552	R	84.5	Confident	80.7	Confident	193 Å²	193	96.2 Å²	96.2	73%	0.728	48%	0.479	S	S	*	.	H	α-helix	trans	-60	-44.7	174.1	-178.6	176.3	-178.4	167.5	1.1	111.9	W548 H549 N550 S554 L555 E556	W548-R552 VanDerWaalsContact O-CB 3.31Å; W548-R552 WeakPolarHBondContact O-CB 3.32Å; W548-R552 PolarHBondContact O-N 2.85Å; H549-R552 PolarHBondContact O-N 2.88Å; N550-R552 VanDerWaalsContact C-N 3.34Å; N550-R552 PolarHBondContact O-N 3.19Å; R552-S554 VanDerWaalsContact C-N 3.34Å; R552-L555 PolarHBondContact O-N 3.42Å; R552-E556 WeakPolarHBondContact O-CB 3.3Å; R552-E556 PolarHBondContact O-N 3.1Å
553	T	84.6	Confident	81.8	Confident	58 Å²	58	91.3 Å²	91.3	36%	0.356	46%	0.464	S	S	.	.	H	α-helix	trans	-61.8	-45	177.9	-57.6	0	0	0	0	110.6	H549 N550 A551 L555 E556 M557	H549-T553 WeakPolarHBondContact O-CB 3.42Å; H549-T553 PolarHBondContact O-N 3.28Å; H549-T553 PolarHBondContact O-OG1 2.95Å; N550-T553 WeakPolarHBondContact O-CB 3.37Å; N550-T553 PolarHBondContact O-N 2.82Å; N550-T553 VanDerWaalsContact O-N 3.15Å; A551-T553 PolarHBondContact O-N 3.38Å; T553-L555 PolarHBondContact O-N 2.96Å; T553-E556 PolarHBondContact O-N 2.91Å; T553-M557 VanDerWaalsContact O-CG 3.26Å; T553-M557 WeakPolarHBondContact O-CG 3.39Å; T553-M557 PolarHBondContact O-N 3.35Å
554	S	81	Confident	83.2	Confident	82 Å²	82	95 Å²	95	57%	0.573	48%	0.484	S	S	*	.	H	α-helix	trans	-63.6	-40.5	176.7	-62	0	0	0	0	112.8	N550 A551 R552 M557 G558	N550-S554 PolarHBondContact O-N 3.03Å; N550-S554 PolarHBondContact O-OG 2.85Å; A551-S554 PolarHBondContact O-N 3.49Å; R552-S554 VanDerWaalsContact C-N 3.34Å; S554-M557 PolarHBondContact O-N 3.44Å; S554-G558 PolarHBondContact O-N 3.05Å
555	L	89.3	Confident	84.4	Confident	132 Å²	132	95.6 Å²	95.6	69%	0.691	49%	0.491	S	S	*	.	H	α-helix	trans	-66.4	-38	175.5	-72.7	172.3	0	0	0	111.9	A551 R552 T553 G558 R559	A551-L555 WeakPolarHBondContact O-CB 3.44Å; A551-L555 VanDerWaalsContact O-CG 3.31Å; A551-L555 WeakPolarHBondContact O-CG 3.36Å; A551-L555 PolarHBondContact O-N 3.11Å; R552-L555 PolarHBondContact O-N 3.42Å; T553-L555 PolarHBondContact O-N 2.96Å; L555-G558 PolarHBondContact O-N 3.34Å; L555-R559 WeakPolarHBondContact O-CB 3.37Å; L555-R559 PolarHBondContact O-N 3.07Å
556	E	88.7	Confident	85.3	Confident	82 Å²	82	100.3 Å²	100.3	38%	0.383	50%	0.497	S	S	.	.	H	α-helix	trans	-67.7	-40.2	175.1	-172.7	59.2	-160	0	0	111.6	R552 T553 G558 R559 L560	R552-E556 WeakPolarHBondContact O-CB 3.3Å; R552-E556 PolarHBondContact O-N 3.1Å; T553-E556 PolarHBondContact O-N 2.91Å; E556-G558 VanDerWaalsContact C-N 3.33Å; E556-G558 PolarHBondContact O-N 2.92Å; E556-R559 WeakPolarHBondContact O-CB 3.42Å; E556-R559 PolarHBondContact O-N 3.24Å; E556-R559 IonicContact OE1-CZ 3.74Å; E556-R559 VanDerWaalsContact OE1-CZ 3.25Å; E556-R559 IonicContact OE1-NE 3.37Å; E556-R559 PolarHBondContact OE1-NE 2.77Å; E556-R559 IonicContact OE1-NH2 2.77Å; E556-R559 PolarHBondContact OE1-NH2 2.92Å; E556-R559 IonicContact OE2-NE 3.03Å; E556-R559 PolarHBondContact OE2-NE 3.43Å; E556-R559 VanDerWaalsContact OE2-NE 3.13Å; E556-L560 WeakPolarHBondContact O-CG 3.38Å; E556-L560 PolarHBondContact O-N 2.89Å
557	M	87.6	Confident	86.1	Confident	115 Å²	115	98.7 Å²	98.7	57%	0.567	49%	0.49	S	S	*	.	H	α-helix	trans	-60	-44.2	171	-69	-61.7	-165.1	0	0	111.3	T553 S554 R559 L560 V561	T553-M557 VanDerWaalsContact O-CG 3.26Å; T553-M557 WeakPolarHBondContact O-CG 3.39Å; T553-M557 PolarHBondContact O-N 3.35Å; S554-M557 PolarHBondContact O-N 3.44Å; M557-R559 VanDerWaalsContact C-N 3.35Å; M557-R559 PolarHBondContact O-N 2.77Å; M557-L560 PolarHBondContact O-N 3.09Å; M557-L560 HydrophobicContact SD-CD1 4.46Å; M557-V561 WeakPolarHBondContact O-CG2 3.41Å; M557-V561 PolarHBondContact O-N 3.26Å
558	G	88.1	Confident	87.2	Confident	34 Å²	34	100.8 Å²	100.8	35%	0.351	49%	0.491	S	S	.	.	H	α-helix	trans	-59.6	-43.1	174	0	0	0	0	0	112.6	S554 L555 E556 V561 L562	S554-G558 PolarHBondContact O-N 3.05Å; L555-G558 PolarHBondContact O-N 3.34Å; E556-G558 VanDerWaalsContact C-N 3.33Å; E556-G558 PolarHBondContact O-N 2.92Å; G558-V561 PolarHBondContact O-N 3.14Å; G558-L562 WeakPolarHBondContact O-CG 3.46Å; G558-L562 PolarHBondContact O-N 2.88Å
559	R	90.7	Very high	88	Confident	110 Å²	110	99 Å²	99	42%	0.415	49%	0.489	S	S	.	.	H	α-helix	trans	-60.2	-45.7	175.5	-167.7	-168.6	72.4	74.5	0.1	111.6	L555 E556 M557 L562 E563	L555-R559 WeakPolarHBondContact O-CB 3.37Å; L555-R559 PolarHBondContact O-N 3.07Å; E556-R559 WeakPolarHBondContact O-CB 3.42Å; E556-R559 PolarHBondContact O-N 3.24Å; E556-R559 IonicContact OE1-CZ 3.74Å; E556-R559 VanDerWaalsContact OE1-CZ 3.25Å; E556-R559 IonicContact OE1-NE 3.37Å; E556-R559 PolarHBondContact OE1-NE 2.77Å; E556-R559 IonicContact OE1-NH2 2.77Å; E556-R559 PolarHBondContact OE1-NH2 2.92Å; E556-R559 IonicContact OE2-NE 3.03Å; E556-R559 PolarHBondContact OE2-NE 3.43Å; E556-R559 VanDerWaalsContact OE2-NE 3.13Å; M557-R559 VanDerWaalsContact C-N 3.35Å; M557-R559 PolarHBondContact O-N 2.77Å; R559-L562 PolarHBondContact O-N 3.02Å; R559-E563 PolarHBondContact O-N 2.98Å
560	L	91.8	Very high	88.8	Confident	80 Å²	80	99.6 Å²	99.6	42%	0.419	49%	0.49	S	S	.	.	H	α-helix	trans	-61.9	-43.5	177.6	-71	169.7	0	0	0	111.8	E556 M557 L562 E563 L564	E556-L560 WeakPolarHBondContact O-CG 3.38Å; E556-L560 PolarHBondContact O-N 2.89Å; M557-L560 PolarHBondContact O-N 3.09Å; M557-L560 HydrophobicContact SD-CD1 4.46Å; L560-L562 VanDerWaalsContact C-N 3.33Å; L560-L562 PolarHBondContact O-N 3.1Å; L560-E563 PolarHBondContact O-N 3.41Å; L560-L564 WeakPolarHBondContact O-CG 3.47Å; L560-L564 PolarHBondContact O-N 3.04Å
561	V	90.9	Very high	89.6	Confident	82 Å²	82	97.7 Å²	97.7	50%	0.497	48%	0.478	S	S	.	.	H	α-helix	trans	-61.2	-41.6	175.5	171.9	0	0	0	0	111.2	M557 G558 E563 L564 L565	M557-V561 WeakPolarHBondContact O-CG2 3.41Å; M557-V561 PolarHBondContact O-N 3.26Å; G558-V561 PolarHBondContact O-N 3.14Å; V561-E563 PolarHBondContact O-N 2.82Å; V561-L564 PolarHBondContact O-N 3.3Å; V561-L565 HydrophobicContact CG1-CD1 4.17Å; V561-L565 HydrophobicContact CG1-CG 4.5Å; V561-L565 WeakPolarHBondContact O-CG 3.1Å; V561-L565 PolarHBondContact O-N 3.43Å
562	L	90.5	Very high	90.4	Very high	99 Å²	99	99.4 Å²	99.4	52%	0.518	48%	0.478	S	S	.	.	H	α-helix	trans	-64.6	-37.2	176.6	-71.5	171.9	0	0	0	112.7	G558 R559 L560 L565 R566	G558-L562 WeakPolarHBondContact O-CG 3.46Å; G558-L562 PolarHBondContact O-N 2.88Å; R559-L562 PolarHBondContact O-N 3.02Å; L560-L562 VanDerWaalsContact C-N 3.33Å; L560-L562 PolarHBondContact O-N 3.1Å; L562-L565 HydrophobicContact CD2-CD1 4.37Å; L562-L565 PolarHBondContact O-N 2.87Å; L562-R566 WeakPolarHBondContact O-CG 3.25Å; L562-R566 PolarHBondContact O-N 3.49Å
563	E	92.5	Very high	90.9	Very high	80 Å²	80	97.6 Å²	97.6	37%	0.374	47%	0.472	S	S	.	.	H	α-helix	trans	-67.8	-39.1	173.8	-65.9	-54.5	158.8	0	0	112.2	R559 L560 V561 L565 R566 K567	R559-E563 PolarHBondContact O-N 2.98Å; L560-E563 PolarHBondContact O-N 3.41Å; V561-E563 PolarHBondContact O-N 2.82Å; E563-L565 VanDerWaalsContact C-N 3.35Å; E563-R566 VanDerWaalsContact CD-NH1 3.27Å; E563-R566 PolarHBondContact O-N 3.44Å; E563-R566 IonicContact OE1-CZ 2.77Å; E563-R566 IonicContact OE1-NH1 3.38Å; E563-R566 PolarHBondContact OE1-NH1 2.98Å; E563-R566 IonicContact OE2-NH1 3.83Å; E563-R566 PolarHBondContact OE2-NH1 3.2Å; E563-K567 PolarHBondContact O-N 2.82Å
564	L	91.4	Very high	91.3	Very high	117 Å²	117	99.6 Å²	99.6	61%	0.613	48%	0.477	S	S	*	.	H	α-helix	trans	-63.4	-40.9	173.7	-69.7	174.9	0	0	0	111.7	L560 V561 K567 R568	L560-L564 WeakPolarHBondContact O-CG 3.47Å; L560-L564 PolarHBondContact O-N 3.04Å; V561-L564 PolarHBondContact O-N 3.3Å; L564-K567 PolarHBondContact O-N 3.38Å; L564-R568 PolarHBondContact O-N 2.83Å
565	L	93.1	Very high	92	Very high	75 Å²	75	99.9 Å²	99.9	39%	0.393	47%	0.471	S	S	.	.	H	α-helix	trans	-61.1	-50.2	173.6	-76.1	170.2	0	0	0	111.1	V561 L562 E563 K567 R568 E569	V561-L565 HydrophobicContact CG1-CD1 4.17Å; V561-L565 HydrophobicContact CG1-CG 4.5Å; V561-L565 WeakPolarHBondContact O-CG 3.1Å; V561-L565 PolarHBondContact O-N 3.43Å; L562-L565 HydrophobicContact CD2-CD1 4.37Å; L562-L565 PolarHBondContact O-N 2.87Å; E563-L565 VanDerWaalsContact C-N 3.35Å; L565-K567 PolarHBondContact O-N 2.93Å; L565-R568 WeakPolarHBondContact O-CB 3.36Å; L565-R568 PolarHBondContact O-N 2.9Å; L565-R568 VanDerWaalsContact O-N 3.07Å; L565-E569 WeakPolarHBondContact O-CG 3.18Å; L565-E569 PolarHBondContact O-N 3.28Å
566	R	91.8	Very high	92.2	Very high	154 Å²	154	96.4 Å²	96.4	58%	0.581	46%	0.461	S	S	*	.	H	α-helix	trans	-55.9	-40.3	176.4	-75	179.4	-172.8	148.8	3.2	112.7	L562 E563 K570	L562-R566 WeakPolarHBondContact O-CG 3.25Å; L562-R566 PolarHBondContact O-N 3.49Å; E563-R566 VanDerWaalsContact CD-NH1 3.27Å; E563-R566 PolarHBondContact O-N 3.44Å; E563-R566 IonicContact OE1-CZ 2.77Å; E563-R566 IonicContact OE1-NH1 3.38Å; E563-R566 PolarHBondContact OE1-NH1 2.98Å; E563-R566 IonicContact OE2-NH1 3.83Å; E563-R566 PolarHBondContact OE2-NH1 3.2Å; R566-K570 WeakPolarHBondContact O-CB 3.33Å; R566-K570 PolarHBondContact O-N 3.32Å
567	K	92.1	Very high	92.5	Very high	97 Å²	97	96.7 Å²	96.7	42%	0.422	46%	0.464	S	S	.	.	H	α-helix	trans	-65.2	-43.8	177	-172.4	178.2	172.3	-169.1	0	111.4	E563 L564 L565 K570 Q571 N831	E563-K567 PolarHBondContact O-N 2.82Å; L564-K567 PolarHBondContact O-N 3.38Å; L565-K567 PolarHBondContact O-N 2.93Å; K567-K570 PolarHBondContact O-N 2.98Å; K567-Q571 WeakPolarHBondContact O-CG 3.3Å; K567-Q571 PolarHBondContact O-N 2.93Å; K567-Q571 VanDerWaalsContact O-N 3.1Å; K567-N831 WeakPolarHBondContact CE-OD1 3.32Å; K567-N831 PolarHBondContact NZ-OD1 2.8Å
568	R	95.6	Very high	92.7	Very high	132 Å²	132	96.6 Å²	96.6	50%	0.498	46%	0.462	S	S	.	.	H	α-helix	trans	-58.8	-52.5	174.1	179.7	-165.6	170	-161.2	-8.5	111.4	L564 L565 K570 Q571 E572	L564-R568 PolarHBondContact O-N 2.83Å; L565-R568 WeakPolarHBondContact O-CB 3.36Å; L565-R568 PolarHBondContact O-N 2.9Å; L565-R568 VanDerWaalsContact O-N 3.07Å; R568-K570 VanDerWaalsContact C-N 3.27Å; R568-K570 PolarHBondContact O-N 3.44Å; R568-Q571 WeakPolarHBondContact O-CB 3.48Å; R568-Q571 PolarHBondContact O-N 3.5Å; R568-E572 HydrophobicContact CG-CG 4.43Å; R568-E572 IonicContact CZ-OE1 2.84Å; R568-E572 IonicContact NE-OE1 3.1Å; R568-E572 PolarHBondContact NE-OE1 2.97Å; R568-E572 IonicContact NH2-OE1 2.75Å; R568-E572 PolarHBondContact NH2-OE1 3.42Å; R568-E572 IonicContact NH2-OE2 3.67Å; R568-E572 PolarHBondContact O-N 3.35Å
569	E	92.9	Very high	93	Very high	100 Å²	100	99.7 Å²	99.7	47%	0.467	47%	0.47	S	S	.	.	H	α-helix	trans	-59.8	-37.8	-179	-63.5	-53.1	135	0	0	111.9	L565 R573	L565-E569 WeakPolarHBondContact O-CG 3.18Å; L565-E569 PolarHBondContact O-N 3.28Å; E569-R573 WeakPolarHBondContact O-CB 3.36Å; E569-R573 PolarHBondContact O-N 2.84Å
570	K	93.7	Very high	92.9	Very high	132 Å²	132	102 Å²	102	57%	0.574	48%	0.479	S	S	*	.	H	α-helix	trans	-62	-44.1	173.6	-177	-178.8	174.2	-174	0	111.7	R566 K567 R568 R573 E574	R566-K570 WeakPolarHBondContact O-CB 3.33Å; R566-K570 PolarHBondContact O-N 3.32Å; K567-K570 PolarHBondContact O-N 2.98Å; R568-K570 VanDerWaalsContact C-N 3.27Å; R568-K570 PolarHBondContact O-N 3.44Å; K570-R573 PolarHBondContact O-N 2.84Å; K570-E574 WeakPolarHBondContact CE-OE1 3.39Å; K570-E574 WeakPolarHBondContact O-CG 3.47Å; K570-E574 PolarHBondContact O-N 3.47Å
571	Q	93.9	Very high	92.8	Very high	52 Å²	52	104.7 Å²	104.7	24%	0.243	49%	0.487	C	S	.	.	H	α-helix	trans	-68.3	-42.9	179.2	-72.6	176.8	-32.7	0	0	112.2	K567 R568 R573 E574 I575	K567-Q571 WeakPolarHBondContact O-CG 3.3Å; K567-Q571 PolarHBondContact O-N 2.93Å; K567-Q571 VanDerWaalsContact O-N 3.1Å; R568-Q571 WeakPolarHBondContact O-CB 3.48Å; R568-Q571 PolarHBondContact O-N 3.5Å; Q571-R573 VanDerWaalsContact C-N 3.29Å; Q571-R573 PolarHBondContact O-N 2.75Å; Q571-E574 PolarHBondContact O-N 3.46Å; Q571-E574 VanDerWaalsContact O-N 3.15Å; Q571-I575 WeakPolarHBondContact O-CG1 3.4Å; Q571-I575 PolarHBondContact O-N 3.03Å
572	E	94.3	Very high	92.7	Very high	82 Å²	82	104.1 Å²	104.1	38%	0.383	48%	0.483	S	S	.	.	H	α-helix	trans	-60.1	-41.2	175.4	-73.1	-173.7	-179.2	0	0	111.2	R568 I575 A576	R568-E572 HydrophobicContact CG-CG 4.43Å; R568-E572 IonicContact CZ-OE1 2.84Å; R568-E572 IonicContact NE-OE1 3.1Å; R568-E572 PolarHBondContact NE-OE1 2.97Å; R568-E572 IonicContact NH2-OE1 2.75Å; R568-E572 PolarHBondContact NH2-OE1 3.42Å; R568-E572 IonicContact NH2-OE2 3.67Å; R568-E572 PolarHBondContact O-N 3.35Å; E572-I575 PolarHBondContact O-N 3Å; E572-A576 WeakPolarHBondContact O-CB 3.38Å; E572-A576 PolarHBondContact O-N 2.97Å
573	R	93.4	Very high	92.5	Very high	155 Å²	155	103.2 Å²	103.2	59%	0.585	48%	0.479	S	S	*	.	H	α-helix	trans	-60.9	-45	172.3	177.2	-179.7	170.5	168.7	1.8	112.6	E569 K570 Q571 A576 M577	E569-R573 WeakPolarHBondContact O-CB 3.36Å; E569-R573 PolarHBondContact O-N 2.84Å; K570-R573 PolarHBondContact O-N 2.84Å; Q571-R573 VanDerWaalsContact C-N 3.29Å; Q571-R573 PolarHBondContact O-N 2.75Å; R573-A576 PolarHBondContact O-N 3.45Å; R573-M577 HydrophobicContact CG-CE 4.12Å; R573-M577 HydrophobicContact CG-SD 4.27Å; R573-M577 VanDerWaalsContact NE-CE 3.26Å; R573-M577 VanDerWaalsContact O-CG 3.31Å; R573-M577 WeakPolarHBondContact O-CG 3.48Å; R573-M577 PolarHBondContact O-N 3.01Å
574	E	94.8	Very high	92.2	Very high	99 Å²	99	102.5 Å²	102.5	46%	0.463	48%	0.478	S	S	.	.	H	α-helix	trans	-62.1	-43.4	178.2	-76.6	171.2	-172.1	0	0	111.4	K570 Q571 M577 Q578	K570-E574 WeakPolarHBondContact CE-OE1 3.39Å; K570-E574 WeakPolarHBondContact O-CG 3.47Å; K570-E574 PolarHBondContact O-N 3.47Å; Q571-E574 PolarHBondContact O-N 3.46Å; Q571-E574 VanDerWaalsContact O-N 3.15Å; E574-M577 PolarHBondContact O-N 2.91Å; E574-Q578 WeakPolarHBondContact O-CG 3.39Å; E574-Q578 PolarHBondContact O-N 2.91Å; E574-Q578 VanDerWaalsContact O-N 3.07Å
575	I	94.6	Very high	91.9	Very high	89 Å²	89	101.2 Å²	101.2	46%	0.456	47%	0.468	S	S	.	.	H	α-helix	trans	-61.4	-48.4	175.1	-67.9	167.2	0	0	0	110.6	Q571 E572 M577 Q578 L579	Q571-I575 WeakPolarHBondContact O-CG1 3.4Å; Q571-I575 PolarHBondContact O-N 3.03Å; E572-I575 PolarHBondContact O-N 3Å; I575-M577 VanDerWaalsContact C-N 3.28Å; I575-M577 PolarHBondContact O-N 3.4Å; I575-Q578 PolarHBondContact O-N 3.15Å; I575-Q578 VanDerWaalsContact O-N 3.12Å; I575-L579 HydrophobicContact CG2-CD1 3.94Å; I575-L579 HydrophobicContact CG2-CG 4.32Å; I575-L579 WeakPolarHBondContact O-CG 3.36Å; I575-L579 PolarHBondContact O-N 3.41Å
576	A	93.9	Very high	91.5	Very high	58 Å²	58	105 Å²	105	48%	0.479	48%	0.482	S	S	.	.	H	α-helix	trans	-60.1	-38.1	178.5	0	0	0	0	0	112.3	E572 R573 R580	E572-A576 WeakPolarHBondContact O-CB 3.38Å; E572-A576 PolarHBondContact O-N 2.97Å; R573-A576 PolarHBondContact O-N 3.45Å; A576-R580 WeakPolarHBondContact O-CB 3.41Å; A576-R580 PolarHBondContact O-N 2.89Å
577	M	94.5	Very high	91.3	Very high	89 Å²	89	103.3 Å²	103.3	44%	0.438	48%	0.483	S	S	.	.	H	α-helix	trans	-64.6	-39.7	174.5	-76	178.6	166	0	0	112.7	R573 E574 I575 K581	R573-M577 HydrophobicContact CG-CE 4.12Å; R573-M577 HydrophobicContact CG-SD 4.27Å; R573-M577 VanDerWaalsContact NE-CE 3.26Å; R573-M577 VanDerWaalsContact O-CG 3.31Å; R573-M577 WeakPolarHBondContact O-CG 3.48Å; R573-M577 PolarHBondContact O-N 3.01Å; E574-M577 PolarHBondContact O-N 2.91Å; I575-M577 VanDerWaalsContact C-N 3.28Å; I575-M577 PolarHBondContact O-N 3.4Å; M577-K581 WeakPolarHBondContact O-CG 3.31Å; M577-K581 PolarHBondContact O-N 3.24Å
578	Q	92.5	Very high	91.1	Very high	112 Å²	112	104.6 Å²	104.6	52%	0.523	49%	0.486	S	S	.	.	H	α-helix	trans	-70.9	-42.8	177.3	-65	-60.2	-13.1	0	0	112	E574 I575 R580 K581 V582	E574-Q578 WeakPolarHBondContact O-CG 3.39Å; E574-Q578 PolarHBondContact O-N 2.91Å; E574-Q578 VanDerWaalsContact O-N 3.07Å; I575-Q578 PolarHBondContact O-N 3.15Å; I575-Q578 VanDerWaalsContact O-N 3.12Å; Q578-R580 VanDerWaalsContact C-N 3.31Å; Q578-R580 PolarHBondContact O-N 3.05Å; Q578-K581 WeakPolarHBondContact O-CB 3.43Å; Q578-K581 PolarHBondContact O-N 3.23Å; Q578-K581 VanDerWaalsContact O-N 3.11Å; Q578-V582 WeakPolarHBondContact O-CG2 3.45Å; Q578-V582 PolarHBondContact O-N 3.47Å
579	L	93.5	Very high	90.8	Very high	100 Å²	100	99.7 Å²	99.7	52%	0.524	47%	0.471	S	S	.	.	H	α-helix	trans	-57.7	-45.4	174.8	-71.7	174.2	0	0	0	111	I575 K581 V582 D583	I575-L579 HydrophobicContact CG2-CD1 3.94Å; I575-L579 HydrophobicContact CG2-CG 4.32Å; I575-L579 WeakPolarHBondContact O-CG 3.36Å; I575-L579 PolarHBondContact O-N 3.41Å; L579-K581 VanDerWaalsContact C-N 3.3Å; L579-K581 PolarHBondContact O-N 3.06Å; L579-V582 PolarHBondContact O-N 3.26Å; L579-V582 VanDerWaalsContact O-N 3.13Å; L579-D583 VanDerWaalsContact O-CG 3.3Å; L579-D583 PolarHBondContact O-N 3.22Å
580	R	90.1	Very high	90.7	Very high	159 Å²	159	95.6 Å²	95.6	60%	0.6	45%	0.452	S	S	*	.	H	α-helix	trans	-58.7	-38.3	175.3	-175.9	179.7	177.4	-172.9	-0.2	113.2	A576 Q578 N584	A576-R580 WeakPolarHBondContact O-CB 3.41Å; A576-R580 PolarHBondContact O-N 2.89Å; Q578-R580 VanDerWaalsContact C-N 3.31Å; Q578-R580 PolarHBondContact O-N 3.05Å; R580-N584 WeakPolarHBondContact O-CB 3.46Å; R580-N584 VanDerWaalsContact O-CG 3.28Å; R580-N584 PolarHBondContact O-N 2.86Å
581	K	87.9	Confident	90.6	Very high	135 Å²	135	92.2 Å²	92.2	59%	0.587	44%	0.437	S	S	*	.	H	α-helix	trans	-65.2	-44.5	175.8	-74.4	-178.1	177.2	-170.1	0	111.4	M577 Q578 L579 N584 H585	M577-K581 WeakPolarHBondContact O-CG 3.31Å; M577-K581 PolarHBondContact O-N 3.24Å; Q578-K581 WeakPolarHBondContact O-CB 3.43Å; Q578-K581 PolarHBondContact O-N 3.23Å; Q578-K581 VanDerWaalsContact O-N 3.11Å; L579-K581 VanDerWaalsContact C-N 3.3Å; L579-K581 PolarHBondContact O-N 3.06Å; K581-N584 PolarHBondContact O-N 3.25Å; K581-H585 WeakPolarHBondContact O-CB 3.46Å; K581-H585 PolarHBondContact O-N 3.39Å
582	V	89.1	Confident	90.5	Very high	71 Å²	71	92.9 Å²	92.9	43%	0.43	44%	0.443	S	S	.	.	H	α-helix	trans	-61.9	-44.8	176.4	174.4	0	0	0	0	110.9	Q578 L579 H585 K586	Q578-V582 WeakPolarHBondContact O-CG2 3.45Å; Q578-V582 PolarHBondContact O-N 3.47Å; L579-V582 PolarHBondContact O-N 3.26Å; L579-V582 VanDerWaalsContact O-N 3.13Å; V582-H585 PolarHBondContact O-N 3.1Å; V582-K586 HydrophobicContact CG1-CD 4.17Å; V582-K586 WeakPolarHBondContact O-CG 3.26Å; V582-K586 PolarHBondContact O-N 3.46Å
583	D	87.7	Confident	90.4	Very high	79 Å²	79	90.2 Å²	90.2	42%	0.422	43%	0.43	S	S	.	.	H	α-helix	trans	-65.9	-42.7	179.3	-67.2	-22.2	0	0	0	111.6	L579 H585 K586 L587	L579-D583 VanDerWaalsContact O-CG 3.3Å; L579-D583 PolarHBondContact O-N 3.22Å; D583-H585 VanDerWaalsContact C-N 3.33Å; D583-H585 PolarHBondContact O-N 3.11Å; D583-K586 PolarHBondContact O-N 2.94Å; D583-L587 VanDerWaalsContact O-CB 3.32Å; D583-L587 WeakPolarHBondContact O-CB 3.42Å; D583-L587 VanDerWaalsContact O-CG 3.26Å; D583-L587 WeakPolarHBondContact O-CG 3.49Å; D583-L587 PolarHBondContact O-N 2.77Å
584	N	84.6	Confident	90.5	Very high	65 Å²	65	82.9 Å²	82.9	35%	0.348	40%	0.402	S	S	.	.	H	α-helix	trans	-59.8	-43.5	174.1	-80.7	-11.8	0	0	0	112.1	R580 K581 K586 L587 W588	R580-N584 WeakPolarHBondContact O-CB 3.46Å; R580-N584 VanDerWaalsContact O-CG 3.28Å; R580-N584 PolarHBondContact O-N 2.86Å; K581-N584 PolarHBondContact O-N 3.25Å; N584-K586 VanDerWaalsContact C-N 3.33Å; N584-K586 PolarHBondContact O-N 3.44Å; N584-L587 PolarHBondContact O-N 3.3Å; N584-W588 CarbonylContact O-C 3.55Å; N584-W588 WeakPolarHBondContact O-CA 3.32Å; N584-W588 PolarHBondContact O-N 2.98Å
585	H	85.4	Confident	90.6	Very high	90 Å²	90	79.8 Å²	79.8	42%	0.417	39%	0.389	S	S	.	.	H	α-helix	trans	-66.1	-35.7	178.7	-167.9	79.6	0	0	0	112	K581 V582 D583 P589 D592	K581-H585 WeakPolarHBondContact O-CB 3.46Å; K581-H585 PolarHBondContact O-N 3.39Å; V582-H585 PolarHBondContact O-N 3.1Å; D583-H585 VanDerWaalsContact C-N 3.33Å; D583-H585 PolarHBondContact O-N 3.11Å; H585-P589 WeakPolarHBondContact O-CA 3.43Å; H585-P589 WeakPolarHBondContact O-CB 3.34Å; H585-D592 IonicContact CE1-OD2 3.38Å; H585-D592 IonicContact CG-OD2 3.22Å; H585-D592 IonicContact ND1-OD2 2.7Å; H585-D592 PolarHBondContact ND1-OD2 3.07Å
586	K	84.9	Confident	90.6	Very high	155 Å²	155	79.4 Å²	79.4	67%	0.674	39%	0.388	S	S	*	.	H	α-helix	trans	-72.3	-43	175.7	-75.2	178.2	177.9	-179.1	0	113.2	V582 D583 N584	V582-K586 HydrophobicContact CG1-CD 4.17Å; V582-K586 WeakPolarHBondContact O-CG 3.26Å; V582-K586 PolarHBondContact O-N 3.46Å; D583-K586 PolarHBondContact O-N 2.94Å; N584-K586 VanDerWaalsContact C-N 3.33Å; N584-K586 PolarHBondContact O-N 3.44Å
587	L	87.6	Confident	90.8	Very high	118 Å²	118	76.8 Å²	76.8	62%	0.618	37%	0.366	S	S	*	.	H	α-helix	trans	-79.8	-35.1	-175.5	-68.1	172.1	0	0	0	112.1	D583 N584 P589	D583-L587 VanDerWaalsContact O-CB 3.32Å; D583-L587 WeakPolarHBondContact O-CB 3.42Å; D583-L587 VanDerWaalsContact O-CG 3.26Å; D583-L587 WeakPolarHBondContact O-CG 3.49Å; D583-L587 PolarHBondContact O-N 2.77Å; N584-L587 PolarHBondContact O-N 3.3Å; L587-P589 VanDerWaalsContact C-CD 3.5Å
588	W	89.2	Confident	91	Very high	125 Å²	125	72.5 Å²	72.5	47%	0.473	35%	0.345	S	S	.	.			trans	-135.7	58.9	-173.3	-48.6	105.2	0	0	0	112.2	N584 I590 K591 D592 L642	N584-W588 CarbonylContact O-C 3.55Å; N584-W588 WeakPolarHBondContact O-CA 3.32Å; N584-W588 PolarHBondContact O-N 2.98Å; W588-I590 PolarHBondContact O-N 3.07Å; W588-K591 HydrophobicContact CB-CB 3.93Å; W588-K591 HydrophobicContact CB-CD 4.28Å; W588-K591 PolarHBondContact O-N 2.95Å; W588-D592 PolarHBondContact O-N 3.12Å; W588-L642 HydrophobicContact CE3-CD1 3.84Å; W588-L642 HydrophobicContact CE3-CD2 4.06Å; W588-L642 HydrophobicContact CH2-CD1 4.11Å; W588-L642 HydrophobicContact CZ3-CD1 3.52Å
589	P	88.8	Confident	91.2	Very high	29 Å²	29	70.5 Å²	70.5	19%	0.188	34%	0.337	C	S	.	.	H	α-helix	trans	-56	-45.2	-173.8	19.3	-31.5	0	0	0	113.1	H585 L587 F593 M698	H585-P589 WeakPolarHBondContact O-CA 3.43Å; H585-P589 WeakPolarHBondContact O-CB 3.34Å; L587-P589 VanDerWaalsContact C-CD 3.5Å; P589-F593 WeakPolarHBondContact O-CB 3.44Å; P589-F593 PolarHBondContact O-N 3.34Å; P589-M698 HydrophobicContact CB-CE 3.3Å; P589-M698 HydrophobicContact CB-SD 3.87Å
590	I	90.6	Very high	91.5	Very high	13 Å²	13	68 Å²	68	7%	0.067	32%	0.323	C	S	.	.	H	α-helix	trans	-64.5	-43.9	179.3	-57	-161	0	0	0	111.6	W588 F593 L594 L645 F693 M698 P700	W588-I590 PolarHBondContact O-N 3.07Å; I590-F593 PolarHBondContact O-N 3.33Å; I590-L594 HydrophobicContact CG2-CD1 3.68Å; I590-L594 HydrophobicContact CG2-CG 4.03Å; I590-L594 WeakPolarHBondContact O-CB 3.42Å; I590-L594 VanDerWaalsContact O-CG 3.31Å; I590-L594 WeakPolarHBondContact O-CG 3.33Å; I590-L594 PolarHBondContact O-N 2.9Å; I590-L645 WeakPolarHBondContact CD1-O 3.39Å; I590-F693 HydrophobicContact CD1-CE2 3.63Å; I590-F693 HydrophobicContact CD1-CZ 3.62Å; I590-F693 HydrophobicContact CG1-CE2 3.81Å; I590-F693 HydrophobicContact CG1-CZ 4.28Å; I590-F693 HydrophobicContact CG2-CE2 4.37Å; I590-M698 WeakPolarHBondContact CD1-O 3.34Å; I590-M698 WeakPolarHBondContact CG1-O 3.23Å; I590-P700 VanDerWaalsContact CD1-CD 3.5Å; I590-P700 HydrophobicContact CD1-CG 3.63Å; I590-P700 HydrophobicContact CG1-CG 4.28Å
591	K	92.1	Very high	91.9	Very high	61 Å²	61	60.4 Å²	60.4	27%	0.265	29%	0.294	S	S	.	.	H	α-helix	trans	-62.1	-48.3	179.8	175.8	-180	170	172.3	0	111.2	W588 F593 L595 V639 L642	W588-K591 HydrophobicContact CB-CB 3.93Å; W588-K591 HydrophobicContact CB-CD 4.28Å; W588-K591 PolarHBondContact O-N 2.95Å; K591-F593 VanDerWaalsContact C-N 3.34Å; K591-L595 HydrophobicContact CG-CD1 4.18Å; K591-L595 WeakPolarHBondContact O-CB 3.47Å; K591-L595 VanDerWaalsContact O-CG 3.23Å; K591-L595 WeakPolarHBondContact O-CG 3.49Å; K591-L595 PolarHBondContact O-N 3.39Å; K591-V639 HydrophobicContact CB-CG1 4.46Å; K591-V639 HydrophobicContact CG-CG1 4.04Å; K591-V639 WeakPolarHBondContact O-CG1 3.35Å; K591-L642 HydrophobicContact CB-CD2 4Å; K591-L642 HydrophobicContact CD-CD2 3.87Å; K591-L642 HydrophobicContact CG-CD2 4.39Å
592	D	91	Very high	92.3	Very high	66 Å²	66	57 Å²	57	35%	0.353	28%	0.282	S	S	.	.	H	α-helix	trans	-62.1	-44.3	178.9	-167.3	63.2	0	0	0	110.9	H585 W588 L595 D596	H585-D592 IonicContact CE1-OD2 3.38Å; H585-D592 IonicContact CG-OD2 3.22Å; H585-D592 IonicContact ND1-OD2 2.7Å; H585-D592 PolarHBondContact ND1-OD2 3.07Å; W588-D592 PolarHBondContact O-N 3.12Å; D592-L595 PolarHBondContact O-N 3.12Å; D592-D596 PolarHBondContact O-N 3.05Å
593	F	92.9	Very high	92.8	Very high	26 Å²	26	60.9 Å²	60.9	11%	0.114	29%	0.294	C	S	.	.	H	α-helix	trans	-61.8	-50.4	176.8	179	-107.9	0	0	0	113.2	P589 I590 K591 L595 D596 V597 V647 A689 Q692 F693	P589-F593 WeakPolarHBondContact O-CB 3.44Å; P589-F593 PolarHBondContact O-N 3.34Å; I590-F593 PolarHBondContact O-N 3.33Å; K591-F593 VanDerWaalsContact C-N 3.34Å; F593-L595 VanDerWaalsContact C-N 3.32Å; F593-L595 PolarHBondContact O-N 3.1Å; F593-D596 WeakPolarHBondContact O-CB 3.34Å; F593-D596 PolarHBondContact O-N 3.09Å; F593-V597 HydrophobicContact CE1-CG2 4.28Å; F593-V597 HydrophobicContact CZ-CG2 4.34Å; F593-V597 WeakPolarHBondContact O-CG2 3.5Å; F593-V597 PolarHBondContact O-N 2.82Å; F593-V597 VanDerWaalsContact O-N 3.1Å; F593-V647 HydrophobicContact CE1-CG2 4.4Å; F593-A689 HydrophobicContact CE1-CB 4.18Å; F593-A689 HydrophobicContact CZ-CB 3.97Å; F593-A689 WeakPolarHBondContact CZ-O 3.23Å; F593-Q692 HydrophobicContact CE2-CB 4.1Å; F593-Q692 HydrophobicContact CZ-CB 4Å; F593-F693 HydrophobicContact CD1-CD2 4.1Å; F593-F693 HydrophobicContact CE1-CB 4.04Å; F593-F693 HydrophobicContact CE1-CD2 4.06Å; F593-F693 HydrophobicContact CZ-CB 4.4Å
594	L	95.7	Very high	93.2	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-69.7	-28.1	-178.9	-66.2	-178.7	0	0	0	112.7	I590 V597 L598 V639 Y644 V647 F650	I590-L594 HydrophobicContact CG2-CD1 3.68Å; I590-L594 HydrophobicContact CG2-CG 4.03Å; I590-L594 WeakPolarHBondContact O-CB 3.42Å; I590-L594 VanDerWaalsContact O-CG 3.31Å; I590-L594 WeakPolarHBondContact O-CG 3.33Å; I590-L594 PolarHBondContact O-N 2.9Å; L594-V597 PolarHBondContact O-N 3.12Å; L594-L598 WeakPolarHBondContact O-CG 3.49Å; L594-L598 PolarHBondContact O-N 3.11Å; L594-V639 HydrophobicContact CB-CG1 3.92Å; L594-V639 HydrophobicContact CB-CG2 3.7Å; L594-V639 HydrophobicContact CD1-CG2 4.14Å; L594-Y644 HydrophobicContact CD1-CD2 4.15Å; L594-Y644 HydrophobicContact CD1-CG 4.33Å; L594-V647 HydrophobicContact CD2-CG2 4.26Å; L594-F650 HydrophobicContact CB-CD2 4.35Å; L594-F650 HydrophobicContact CB-CE2 4.42Å; L594-F650 HydrophobicContact CD1-CB 4.14Å; L594-F650 HydrophobicContact CD1-CD2 4.06Å; L594-F650 HydrophobicContact CD1-CG 4.29Å; L594-F650 HydrophobicContact CD2-CB 4.05Å; L594-F650 HydrophobicContact CD2-CD1 4.11Å; L594-F650 HydrophobicContact CD2-CD2 4.07Å; L594-F650 HydrophobicContact CD2-CG 3.82Å; L594-F650 HydrophobicContact CG-CD2 4.39Å
595	L	96	Very high	93.8	Very high	34 Å²	34	55.5 Å²	55.5	18%	0.178	27%	0.265	C	S	.	.	H	α-helix	trans	-65.2	-39.2	170.8	-75.1	174.4	0	0	0	111.7	K591 D592 F593 V597 L598 D599 R636 V639 L640	K591-L595 HydrophobicContact CG-CD1 4.18Å; K591-L595 WeakPolarHBondContact O-CB 3.47Å; K591-L595 VanDerWaalsContact O-CG 3.23Å; K591-L595 WeakPolarHBondContact O-CG 3.49Å; K591-L595 PolarHBondContact O-N 3.39Å; D592-L595 PolarHBondContact O-N 3.12Å; F593-L595 VanDerWaalsContact C-N 3.32Å; F593-L595 PolarHBondContact O-N 3.1Å; L595-V597 VanDerWaalsContact C-N 3.35Å; L595-L598 HydrophobicContact CD2-CD1 4.42Å; L595-L598 PolarHBondContact O-N 3.3Å; L595-D599 VanDerWaalsContact O-CG 3.29Å; L595-D599 PolarHBondContact O-N 3.41Å; L595-R636 HydrophobicContact CD2-CG 4.01Å; L595-V639 HydrophobicContact CD2-CB 4.46Å; L595-V639 HydrophobicContact CD2-CG1 3.96Å; L595-V639 HydrophobicContact CG-CG1 3.76Å; L595-L640 HydrophobicContact CD1-CD2 4.1Å; L595-L640 HydrophobicContact CD2-CD2 4.23Å; L595-L640 HydrophobicContact CD2-CG 4.44Å
596	D	95	Very high	94.3	Very high	82 Å²	82	58.1 Å²	58.1	44%	0.439	28%	0.278	S	S	.	.	H	α-helix	trans	-65.3	-38.7	173.5	-176.3	73	0	0	0	111.7	D592 F593 D599 Q600	D592-D596 PolarHBondContact O-N 3.05Å; F593-D596 WeakPolarHBondContact O-CB 3.34Å; F593-D596 PolarHBondContact O-N 3.09Å; D596-D599 PolarHBondContact O-N 2.84Å; D596-Q600 WeakPolarHBondContact O-CG 3.25Å; D596-Q600 PolarHBondContact O-N 3.18Å; D596-Q600 PolarHBondContact OD2-NE2 3.43Å
597	V	97.6	Very high	94.8	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.012	27%	0.27	C	S	.	.	H	α-helix	trans	-61.4	-44.1	173.6	177.3	0	0	0	0	111	F593 L594 L595 Q600 L601 F650 I685 I686 A689	F593-V597 HydrophobicContact CE1-CG2 4.28Å; F593-V597 HydrophobicContact CZ-CG2 4.34Å; F593-V597 WeakPolarHBondContact O-CG2 3.5Å; F593-V597 PolarHBondContact O-N 2.82Å; F593-V597 VanDerWaalsContact O-N 3.1Å; L594-V597 PolarHBondContact O-N 3.12Å; L595-V597 VanDerWaalsContact C-N 3.35Å; V597-Q600 WeakPolarHBondContact O-CB 3.44Å; V597-Q600 PolarHBondContact O-N 2.71Å; V597-L601 HydrophobicContact CG1-CD1 4.41Å; V597-L601 WeakPolarHBondContact O-CG 3.41Å; V597-L601 PolarHBondContact O-N 3.21Å; V597-F650 HydrophobicContact CB-CE1 4.39Å; V597-F650 HydrophobicContact CB-CZ 4.43Å; V597-F650 HydrophobicContact CG1-CD1 4.49Å; V597-F650 HydrophobicContact CG1-CE1 3.54Å; V597-F650 HydrophobicContact CG1-CZ 3.92Å; V597-I685 HydrophobicContact CG1-CG2 4.03Å; V597-I686 HydrophobicContact CG1-CD1 4.17Å; V597-A689 HydrophobicContact CG1-CB 4.26Å; V597-A689 HydrophobicContact CG2-CB 3.64Å
598	L	98.4	Very high	95.2	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.7	-43	174.4	-76.3	167.1	0	0	0	112.3	L594 L595 Q600 L601 D602 L632 M635 R636 V639 F650	L594-L598 WeakPolarHBondContact O-CG 3.49Å; L594-L598 PolarHBondContact O-N 3.11Å; L595-L598 HydrophobicContact CD2-CD1 4.42Å; L595-L598 PolarHBondContact O-N 3.3Å; L598-Q600 PolarHBondContact O-N 3.22Å; L598-L601 HydrophobicContact CD2-CD1 4.47Å; L598-L601 PolarHBondContact O-N 3.02Å; L598-D602 PolarHBondContact O-N 2.92Å; L598-L632 HydrophobicContact CD2-CD2 4.01Å; L598-M635 HydrophobicContact CD2-CB 3.91Å; L598-R636 VanDerWaalsContact CD1-CA 3.43Å; L598-R636 HydrophobicContact CD1-CB 3.77Å; L598-R636 HydrophobicContact CD1-CG 4.11Å; L598-V639 HydrophobicContact CD1-CB 4.36Å; L598-V639 HydrophobicContact CD1-CG2 3.81Å; L598-F650 HydrophobicContact CD1-CE2 4.08Å; L598-F650 HydrophobicContact CD2-CE2 3.83Å; L598-F650 HydrophobicContact CD2-CZ 3.72Å; L598-F650 HydrophobicContact CG-CE2 3.71Å; L598-F650 HydrophobicContact CG-CZ 3.73Å
599	D	98.1	Very high	95.5	Very high	69 Å²	69	47 Å²	47	37%	0.369	25%	0.246	S	C	.	.	H	α-helix	trans	-62.8	-27.4	176.2	-71	-7.2	0	0	0	112.2	L595 D596 K603 R636	L595-D599 VanDerWaalsContact O-CG 3.29Å; L595-D599 PolarHBondContact O-N 3.41Å; D596-D599 PolarHBondContact O-N 2.84Å; D599-K603 WeakPolarHBondContact O-CG 3.46Å; D599-R636 IonicContact OD1-CZ 3.78Å; D599-R636 IonicContact OD1-NH1 3.26Å; D599-R636 PolarHBondContact OD1-NH1 3.13Å; D599-R636 VanDerWaalsContact OD1-NH1 3.09Å; D599-R636 IonicContact OD1-NH2 2.68Å; D599-R636 PolarHBondContact OD1-NH2 3.03Å
600	Q	98.4	Very high	96	Very high	48 Å²	48	46.1 Å²	46.1	22%	0.224	24%	0.239	C	C	.	.	H	α-helix	trans	-75.4	-38.1	171	-69.6	179.5	57.5	0	0	112.2	D596 V597 L598 K603 I685	D596-Q600 WeakPolarHBondContact O-CG 3.25Å; D596-Q600 PolarHBondContact O-N 3.18Å; D596-Q600 PolarHBondContact OD2-NE2 3.43Å; V597-Q600 WeakPolarHBondContact O-CB 3.44Å; V597-Q600 PolarHBondContact O-N 2.71Å; L598-Q600 PolarHBondContact O-N 3.22Å; Q600-K603 PolarHBondContact O-N 3.44Å; Q600-I685 HydrophobicContact CB-CD1 3.98Å; Q600-I685 HydrophobicContact CB-CG1 4.44Å; Q600-I685 HydrophobicContact CB-CG2 3.88Å
601	L	98.5	Very high	96.3	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-68.6	-38.7	176.4	-68.3	172.3	0	0	0	112.2	V597 L598 K603 V604 D605 L632 F650 F654 M678 I685 I686	V597-L601 HydrophobicContact CG1-CD1 4.41Å; V597-L601 WeakPolarHBondContact O-CG 3.41Å; V597-L601 PolarHBondContact O-N 3.21Å; L598-L601 HydrophobicContact CD2-CD1 4.47Å; L598-L601 PolarHBondContact O-N 3.02Å; L601-K603 PolarHBondContact O-N 2.85Å; L601-V604 WeakPolarHBondContact O-CA 3.46Å; L601-V604 WeakPolarHBondContact O-CB 3.45Å; L601-V604 PolarHBondContact O-N 3.27Å; L601-D605 PolarHBondContact O-N 3.44Å; L601-L632 HydrophobicContact CB-CD2 4Å; L601-L632 HydrophobicContact CD1-CD2 4.09Å; L601-F650 HydrophobicContact CD1-CE1 4.27Å; L601-F650 HydrophobicContact CD1-CZ 4.17Å; L601-F654 HydrophobicContact CD1-CD2 4.04Å; L601-F654 HydrophobicContact CD1-CE2 4.45Å; L601-F654 HydrophobicContact CD2-CD2 4.18Å; L601-F654 HydrophobicContact CD2-CE2 3.77Å; L601-M678 HydrophobicContact CD2-SD 4.37Å; L601-I685 HydrophobicContact CD2-CB 4.23Å; L601-I685 HydrophobicContact CD2-CD1 4.05Å; L601-I685 HydrophobicContact CD2-CG2 4.33Å; L601-I685 HydrophobicContact CG-CG2 4.46Å; L601-I686 HydrophobicContact CD1-CD1 4.12Å
602	D	97.8	Very high	96.6	Very high	62 Å²	62	50.3 Å²	50.3	33%	0.332	27%	0.265	S	S	.	.	H	α-helix	trans	-58.1	-30.5	174.6	-75.9	-19.3	0	0	0	111.9	L598 L632 R636	L598-D602 PolarHBondContact O-N 2.92Å; D602-L632 WeakPolarHBondContact OD1-CD1 3.38Å; D602-R636 IonicContact OD2-CZ 2.64Å; D602-R636 IonicContact OD2-NH2 2.81Å; D602-R636 PolarHBondContact OD2-NH2 2.91Å
603	K	97.7	Very high	96.9	Very high	154 Å²	154	50.1 Å²	50.1	67%	0.67	27%	0.267	S	S	*	.	H	α-helix	trans	-75.3	-23.8	175	-67.2	168.9	-171.4	164.3	0	113.3	D599 Q600 L601	D599-K603 WeakPolarHBondContact O-CG 3.46Å; Q600-K603 PolarHBondContact O-N 3.44Å; L601-K603 PolarHBondContact O-N 2.85Å
604	V	97.4	Very high	97	Very high	21 Å²	21	51.2 Å²	51.2	13%	0.127	28%	0.276	C	S	.	.	H	α-helix	trans	-78.4	-36.2	173.2	179.5	0	0	0	0	109.8	L601 E606 R677 M678 E681 I685	L601-V604 WeakPolarHBondContact O-CA 3.46Å; L601-V604 WeakPolarHBondContact O-CB 3.45Å; L601-V604 PolarHBondContact O-N 3.27Å; V604-E606 PolarHBondContact O-N 2.7Å; V604-R677 VanDerWaalsContact O-CZ 3.32Å; V604-R677 PolarHBondContact O-NH2 2.79Å; V604-M678 HydrophobicContact CB-CE 4.15Å; V604-M678 HydrophobicContact CB-SD 4.29Å; V604-M678 HydrophobicContact CG1-CE 3.99Å; V604-M678 HydrophobicContact CG1-SD 3.91Å; V604-E681 HydrophobicContact CG1-CB 3.92Å; V604-E681 HydrophobicContact CG2-CB 4.45Å; V604-I685 HydrophobicContact CG2-CD1 3.52Å
605	D	97.7	Very high	96.8	Very high	9 Å²	9	54.1 Å²	54.1	5%	0.048	29%	0.291	C	S	.	.			trans	-78.4	58	177.4	-167.7	25.8	0	0	0	113.1	L601 D607 G608 V609 F610 A611 L632 M678	L601-D605 PolarHBondContact O-N 3.44Å; D605-D607 PolarHBondContact O-N 2.85Å; D605-D607 VanDerWaalsContact O-N 3.15Å; D605-G608 PolarHBondContact O-N 3.33Å; D605-G608 PolarHBondContact OD1-N 2.97Å; D605-G608 VanDerWaalsContact OD2-C 3.26Å; D605-G608 VanDerWaalsContact OD2-CA 3.25Å; D605-G608 WeakPolarHBondContact OD2-CA 3.4Å; D605-V609 PolarHBondContact OD1-N 3.5Å; D605-V609 PolarHBondContact OD2-N 2.81Å; D605-F610 HydrophobicContact CB-CD2 4.48Å; D605-F610 PolarHBondContact OD1-N 2.85Å; D605-F610 WeakPolarHBondContact OD2-CA 3.46Å; D605-F610 PolarHBondContact OD2-N 3.4Å; D605-A611 PolarHBondContact OD2-N 2.86Å; D605-L632 HydrophobicContact CB-CD1 4.11Å; D605-M678 HydrophobicContact CB-CE 3.66Å
606	E	94.4	Very high	96.5	Very high	145 Å²	145	54.1 Å²	54.1	68%	0.678	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-34.6	-176.5	-67.7	175.5	149	0	0	113.9	V604 R677	V604-E606 PolarHBondContact O-N 2.7Å; E606-R677 IonicContact OE2-CZ 2.73Å; E606-R677 IonicContact OE2-NH1 2.85Å; E606-R677 PolarHBondContact OE2-NH1 3.09Å; E606-R677 IonicContact OE2-NH2 2.74Å
607	D	95.2	Very high	96.2	Very high	96 Å²	96	57.6 Å²	57.6	51%	0.513	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-1.5	-178.1	-71.5	-22.5	0	0	0	113.1	D605 V609 Y670	D605-D607 PolarHBondContact O-N 2.85Å; D605-D607 VanDerWaalsContact O-N 3.15Å; D607-V609 VanDerWaalsContact C-N 3.32Å; D607-V609 HydrophobicContact CB-CG2 4.08Å; D607-V609 PolarHBondContact O-N 2.99Å; D607-Y670 WeakPolarHBondContact CB-OH 3.19Å; D607-Y670 PolarHBondContact OD2-OH 2.97Å
608	G	96.2	Very high	95.8	Very high	39 Å²	39	67.6 Å²	67.6	40%	0.402	35%	0.353	S	S	.	.			trans	66	30.3	179.5	0	0	0	0	0	114.1	D605 F610	D605-G608 PolarHBondContact O-N 3.33Å; D605-G608 PolarHBondContact OD1-N 2.97Å; D605-G608 VanDerWaalsContact OD2-C 3.26Å; D605-G608 VanDerWaalsContact OD2-CA 3.25Å; D605-G608 WeakPolarHBondContact OD2-CA 3.4Å; G608-F610 VanDerWaalsContact C-N 3.3Å
609	V	96.1	Very high	95.4	Very high	31 Å²	31	69.9 Å²	69.9	19%	0.188	37%	0.366	C	S	.	.	S	Bend	trans	-69.4	-30	-178.8	170.5	0	0	0	0	111.7	D605 D607 Y670 F671 E674	D605-V609 PolarHBondContact OD1-N 3.5Å; D605-V609 PolarHBondContact OD2-N 2.81Å; D607-V609 VanDerWaalsContact C-N 3.32Å; D607-V609 HydrophobicContact CB-CG2 4.08Å; D607-V609 PolarHBondContact O-N 2.99Å; V609-Y670 HydrophobicContact CG2-CE1 4.35Å; V609-F671 HydrophobicContact CG1-CD1 3.75Å; V609-F671 HydrophobicContact CG1-CE1 4.22Å; V609-F671 HydrophobicContact CG2-CD1 4.14Å; V609-F671 HydrophobicContact CG2-CE1 4.1Å; V609-E674 HydrophobicContact CB-CG 3.93Å; V609-E674 HydrophobicContact CG1-CG 4.11Å; V609-E674 HydrophobicContact CG2-CG 3.83Å
610	F	98.4	Very high	95.1	Very high	9 Å²	9	78.1 Å²	78.1	4%	0.039	39%	0.392	C	S	.	.	S	Bend	trans	-109.7	-4.7	-178.3	-56.4	-82.2	0	0	0	113.3	D605 G608 E612 D631 L632 M657 C661 E674 M678	D605-F610 HydrophobicContact CB-CD2 4.48Å; D605-F610 PolarHBondContact OD1-N 2.85Å; D605-F610 WeakPolarHBondContact OD2-CA 3.46Å; D605-F610 PolarHBondContact OD2-N 3.4Å; G608-F610 VanDerWaalsContact C-N 3.3Å; F610-E612 PolarHBondContact O-N 3.31Å; F610-D631 WeakPolarHBondContact O-CB 3.42Å; F610-L632 HydrophobicContact CB-CD1 4.02Å; F610-L632 HydrophobicContact CB-CG 4.08Å; F610-L632 PolarHBondContact O-N 3.37Å; F610-M657 HydrophobicContact CB-CE 4.29Å; F610-M657 HydrophobicContact CB-SD 3.8Å; F610-M657 HydrophobicContact CD1-CE 4.15Å; F610-M657 HydrophobicContact CD1-CG 3.66Å; F610-M657 HydrophobicContact CD1-SD 3.95Å; F610-M657 HydrophobicContact CE1-CG 4.38Å; F610-M657 HydrophobicContact CG-CE 4.29Å; F610-M657 HydrophobicContact CG-CG 4.47Å; F610-M657 HydrophobicContact CG-SD 4.19Å; F610-C661 HydrophobicContact CE1-CB 3.7Å; F610-C661 HydrophobicContact CZ-CB 4.26Å; F610-E674 HydrophobicContact CE2-CG 3.95Å; F610-M678 HydrophobicContact CD2-CB 4.24Å; F610-M678 HydrophobicContact CD2-CE 3.49Å; F610-M678 VanDerWaalsContact CD2-CE 3.49Å; F610-M678 HydrophobicContact CD2-CG 4.08Å; F610-M678 HydrophobicContact CE2-CB 3.5Å; F610-M678 VanDerWaalsContact CE2-CB 3.5Å; F610-M678 HydrophobicContact CE2-CE 3.92Å; F610-M678 HydrophobicContact CE2-CG 3.8Å; F610-M678 HydrophobicContact CG-CE 4.24Å; F610-M678 HydrophobicContact CZ-CB 3.73Å; F610-M678 HydrophobicContact CZ-CG 4.05Å
611	A	97.7	Very high	94.8	Very high	32 Å²	32	76.9 Å²	76.9	26%	0.264	39%	0.393	S	S	.	.	S	Bend	trans	-57.7	-43.6	-173.7	0	0	0	0	0	113.4	D605 S633	D605-A611 PolarHBondContact OD2-N 2.86Å; A611-S633 VanDerWaalsContact O-CB 3.24Å; A611-S633 WeakPolarHBondContact O-CB 3.31Å; A611-S633 PolarHBondContact O-N 3.19Å
612	E	97.7	Very high	94.6	Very high	131 Å²	131	77.5 Å²	77.5	61%	0.612	40%	0.395	S	S	*	.	S	Bend	trans	-128.1	158.9	-173.1	-66.8	-69.7	158.8	0	0	111.6	F610 V614	F610-E612 PolarHBondContact O-N 3.31Å; E612-V614 PolarHBondContact O-N 2.68Å
613	P	97.6	Very high	94.4	Very high	61 Å²	61	80.8 Å²	80.8	40%	0.396	40%	0.403	S	S	.	.			trans	-61.8	136.1	178.8	-15.1	26.1	0	0	0	111.1	D615 D631 S633	P613-D615 PolarHBondContact O-N 3.03Å; P613-D615 VanDerWaalsContact O-N 3.15Å; P613-D631 WeakPolarHBondContact CA-OD2 3.17Å; P613-D631 WeakPolarHBondContact CB-OD2 3.33Å; P613-D631 WeakPolarHBondContact CD-OD1 3.5Å; P613-D631 VanDerWaalsContact CG-OD2 3.28Å; P613-D631 WeakPolarHBondContact CG-OD2 3.43Å; P613-S633 WeakPolarHBondContact CD-OG 3.43Å
614	V	95.1	Very high	94.2	Very high	49 Å²	49	79.4 Å²	79.4	30%	0.297	40%	0.403	S	S	.	.			trans	-58.7	121.2	176	180	0	0	0	0	110.4	E612 A616 V619 Y622	E612-V614 PolarHBondContact O-N 2.68Å; V614-A616 PolarHBondContact O-N 3.32Å; V614-V619 HydrophobicContact CG1-CB 3.93Å; V614-V619 HydrophobicContact CG1-CG1 4.39Å; V614-V619 HydrophobicContact CG1-CG2 3.61Å; V614-Y622 HydrophobicContact CB-CD1 4.17Å; V614-Y622 HydrophobicContact CB-CE1 3.75Å; V614-Y622 HydrophobicContact CB-CE2 4.15Å; V614-Y622 HydrophobicContact CG1-CD1 4.01Å; V614-Y622 HydrophobicContact CG1-CD2 3.92Å; V614-Y622 HydrophobicContact CG1-CE1 4.06Å; V614-Y622 HydrophobicContact CG1-CE2 3.97Å; V614-Y622 HydrophobicContact CG1-CG 3.94Å; V614-Y622 HydrophobicContact CG2-CE1 4.27Å; V614-Y622 HydrophobicContact CG2-CE2 4.05Å
615	D	92.8	Very high	94.1	Very high	62 Å²	62	81.9 Å²	81.9	33%	0.332	42%	0.415	S	S	.	.			trans	-69	97.1	175.6	-176	-3.8	0	0	0	110.1	P613 N617 R618 V619	P613-D615 PolarHBondContact O-N 3.03Å; P613-D615 VanDerWaalsContact O-N 3.15Å; D615-N617 PolarHBondContact O-N 3.18Å; D615-N617 VanDerWaalsContact O-N 3.09Å; D615-N617 WeakPolarHBondContact OD1-CB 3.29Å; D615-N617 PolarHBondContact OD1-N 2.86Å; D615-N617 PolarHBondContact OD1-ND2 3.5Å; D615-R618 HydrophobicContact CB-CB 4.28Å; D615-R618 HydrophobicContact CB-CG 4.26Å; D615-R618 PolarHBondContact O-N 3.44Å; D615-R618 VanDerWaalsContact OD2-CD 3.28Å; D615-R618 WeakPolarHBondContact OD2-CD 3.35Å; D615-R618 VanDerWaalsContact OD2-CG 3.3Å; D615-R618 WeakPolarHBondContact OD2-CG 3.46Å; D615-R618 IonicContact OD2-NE 2.73Å; D615-R618 PolarHBondContact OD2-NE 3.02Å; D615-V619 PolarHBondContact O-N 3.03Å
616	A	88.4	Confident	94.1	Very high	34 Å²	34	81.5 Å²	81.5	28%	0.281	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-17.9	-179.3	0	0	0	0	0	113.8	V614 R623	V614-A616 PolarHBondContact O-N 3.32Å; A616-R623 HydrophobicContact CB-CG 3.56Å
617	N	88.7	Confident	94.2	Very high	155 Å²	155	81.1 Å²	81.1	83%	0.829	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-28.9	174.7	-58.6	-45.7	0	0	0	111.8	D615	D615-N617 PolarHBondContact O-N 3.18Å; D615-N617 VanDerWaalsContact O-N 3.09Å; D615-N617 WeakPolarHBondContact OD1-CB 3.29Å; D615-N617 PolarHBondContact OD1-N 2.86Å; D615-N617 PolarHBondContact OD1-ND2 3.5Å
618	R	90	Very high	94.3	Very high	213 Å²	213	83 Å²	83	80%	0.804	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-36.7	176.2	-67.8	178.2	-168.6	-153.1	-3.6	111.9	D615 R620	D615-R618 HydrophobicContact CB-CB 4.28Å; D615-R618 HydrophobicContact CB-CG 4.26Å; D615-R618 PolarHBondContact O-N 3.44Å; D615-R618 VanDerWaalsContact OD2-CD 3.28Å; D615-R618 WeakPolarHBondContact OD2-CD 3.35Å; D615-R618 VanDerWaalsContact OD2-CG 3.3Å; D615-R618 WeakPolarHBondContact OD2-CG 3.46Å; D615-R618 IonicContact OD2-NE 2.73Å; D615-R618 PolarHBondContact OD2-NE 3.02Å; R618-R620 PolarHBondContact O-N 3.2Å
619	V	90.1	Very high	94.3	Very high	48 Å²	48	82.5 Å²	82.5	29%	0.291	40%	0.404	S	S	.	.	S	Bend	trans	-98.1	91.6	-177.5	-171.3	0	0	0	0	109.6	V614 D615 G621 Y622 F664	V614-V619 HydrophobicContact CG1-CB 3.93Å; V614-V619 HydrophobicContact CG1-CG1 4.39Å; V614-V619 HydrophobicContact CG1-CG2 3.61Å; D615-V619 PolarHBondContact O-N 3.03Å; V619-G621 PolarHBondContact O-N 3.32Å; V619-Y622 HydrophobicContact CG1-CD2 4.18Å; V619-Y622 HydrophobicContact CG1-CG 4.39Å; V619-Y622 VanDerWaalsContact O-CB 3.29Å; V619-Y622 WeakPolarHBondContact O-CB 3.46Å; V619-Y622 PolarHBondContact O-N 3.15Å; V619-F664 HydrophobicContact CG1-CD1 4.38Å; V619-F664 HydrophobicContact CG1-CE1 3.33Å; V619-F664 HydrophobicContact CG1-CE2 4.5Å; V619-F664 HydrophobicContact CG1-CZ 3.41Å; V619-F664 VanDerWaalsContact CG1-CZ 3.41Å
620	R	91.1	Very high	94.4	Very high	241 Å²	241	82.2 Å²	82.2	91%	0.909	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	132.9	-178.7	-172.8	179.2	-176.3	-174.6	1.2	111.2	R618 Y622	R618-R620 PolarHBondContact O-N 3.2Å; R620-Y622 PolarHBondContact O-N 3.37Å
621	G	91.6	Very high	94.4	Very high	23 Å²	23	82 Å²	82	24%	0.237	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.1	-0.3	176.3	0	0	0	0	0	115	V619 R623 D624 I625	V619-G621 PolarHBondContact O-N 3.32Å; G621-R623 PolarHBondContact O-N 2.91Å; G621-D624 WeakPolarHBondContact CA-OD2 3.49Å; G621-D624 WeakPolarHBondContact O-CB 3.36Å; G621-D624 PolarHBondContact O-N 2.85Å; G621-D624 VanDerWaalsContact O-N 3.11Å; G621-I625 PolarHBondContact O-N 3.26Å
622	Y	94.6	Very high	94.5	Very high	12 Å²	12	80.6 Å²	80.6	5%	0.047	39%	0.388	C	S	.	.	H	α-helix	trans	-57.9	-48.1	-176.7	-173	-100.4	0	0	0	112.7	V614 V619 R620 D624 I625 I626 P629 F664	V614-Y622 HydrophobicContact CB-CD1 4.17Å; V614-Y622 HydrophobicContact CB-CE1 3.75Å; V614-Y622 HydrophobicContact CB-CE2 4.15Å; V614-Y622 HydrophobicContact CG1-CD1 4.01Å; V614-Y622 HydrophobicContact CG1-CD2 3.92Å; V614-Y622 HydrophobicContact CG1-CE1 4.06Å; V614-Y622 HydrophobicContact CG1-CE2 3.97Å; V614-Y622 HydrophobicContact CG1-CG 3.94Å; V614-Y622 HydrophobicContact CG2-CE1 4.27Å; V614-Y622 HydrophobicContact CG2-CE2 4.05Å; V619-Y622 HydrophobicContact CG1-CD2 4.18Å; V619-Y622 HydrophobicContact CG1-CG 4.39Å; V619-Y622 VanDerWaalsContact O-CB 3.29Å; V619-Y622 WeakPolarHBondContact O-CB 3.46Å; V619-Y622 PolarHBondContact O-N 3.15Å; R620-Y622 PolarHBondContact O-N 3.37Å; Y622-D624 VanDerWaalsContact C-N 3.27Å; Y622-D624 PolarHBondContact O-N 3.22Å; Y622-I625 PolarHBondContact O-N 2.99Å; Y622-I626 HydrophobicContact CD1-CB 4.43Å; Y622-I626 HydrophobicContact CD2-CG1 4.19Å; Y622-I626 HydrophobicContact CE1-CB 4.06Å; Y622-I626 HydrophobicContact CE1-CG1 4.43Å; Y622-I626 HydrophobicContact CE1-CG2 4.13Å; Y622-I626 HydrophobicContact CE2-CB 4.33Å; Y622-I626 HydrophobicContact CE2-CG1 3.8Å; Y622-I626 WeakPolarHBondContact O-CB 3.47Å; Y622-I626 PolarHBondContact O-N 3.3Å; Y622-P629 HydrophobicContact CE1-CB 4.16Å; Y622-P629 HydrophobicContact CE1-CG 3.9Å; Y622-F664 VanDerWaalsContact CA-CE2 3.44Å; Y622-F664 HydrophobicContact CD2-CB 4.37Å; Y622-F664 AromaticContact CD2-CD1 3.85Å; Y622-F664 HydrophobicContact CD2-CD1 3.85Å; Y622-F664 AromaticContact CD2-CD2 3.71Å; Y622-F664 HydrophobicContact CD2-CD2 3.71Å; Y622-F664 HydrophobicContact CD2-CE1 4.05Å; Y622-F664 AromaticContact CD2-CE2 3.93Å; Y622-F664 HydrophobicContact CD2-CE2 3.93Å; Y622-F664 AromaticContact CD2-CG 3.68Å; Y622-F664 HydrophobicContact CD2-CG 3.68Å; Y622-F664 HydrophobicContact CD2-CZ 4.09Å; Y622-F664 HydrophobicContact CE2-CB 4.24Å; Y622-F664 HydrophobicContact CE2-CD1 4.26Å; Y622-F664 HydrophobicContact CE2-CD2 4.39Å; Y622-F664 HydrophobicContact CE2-CG 4.02Å; Y622-F664 HydrophobicContact CG-CE2 4.47Å
623	R	93.6	Very high	94.5	Very high	131 Å²	131	76.1 Å²	76.1	49%	0.494	37%	0.371	S	S	.	.	H	α-helix	trans	-72.9	-17.8	178.8	-67.2	-70.8	-175.5	159.6	-2.7	113.8	A616 G621 K627 P629	A616-R623 HydrophobicContact CB-CG 3.56Å; G621-R623 PolarHBondContact O-N 2.91Å; R623-K627 PolarHBondContact O-NZ 3.32Å; R623-K627 VanDerWaalsContact O-NZ 3.16Å; R623-P629 VanDerWaalsContact CZ-CG 3.47Å; R623-P629 VanDerWaalsContact NH1-CD 3.35Å; R623-P629 VanDerWaalsContact NH1-CG 3.33Å
624	D	94.9	Very high	94.5	Very high	125 Å²	125	75.3 Å²	75.3	67%	0.668	37%	0.365	S	S	*	.	H	α-helix	trans	-71.9	-36.8	174.3	-59.4	-37.2	0	0	0	110.3	G621 Y622 K627	G621-D624 WeakPolarHBondContact CA-OD2 3.49Å; G621-D624 WeakPolarHBondContact O-CB 3.36Å; G621-D624 PolarHBondContact O-N 2.85Å; G621-D624 VanDerWaalsContact O-N 3.11Å; Y622-D624 VanDerWaalsContact C-N 3.27Å; Y622-D624 PolarHBondContact O-N 3.22Å; D624-K627 VanDerWaalsContact O-CE 3.32Å; D624-K627 WeakPolarHBondContact O-CE 3.37Å; D624-K627 PolarHBondContact O-NZ 3.04Å
625	I	94.3	Very high	94.7	Very high	74 Å²	74	73 Å²	73	38%	0.379	35%	0.351	S	S	.	.	H	α-helix	trans	-93.4	-41.3	-177.2	-59.7	175.5	0	0	0	112.5	G621 Y622 K663 F664	G621-I625 PolarHBondContact O-N 3.26Å; Y622-I625 PolarHBondContact O-N 2.99Å; I625-K663 HydrophobicContact CG2-CD 4.35Å; I625-K663 HydrophobicContact CG2-CG 4.26Å; I625-K663 PolarHBondContact O-NZ 3.02Å; I625-K663 VanDerWaalsContact O-NZ 3.12Å; I625-F664 HydrophobicContact CB-CD2 4.11Å; I625-F664 HydrophobicContact CD1-CD2 3.86Å; I625-F664 HydrophobicContact CD1-CE2 3.87Å; I625-F664 HydrophobicContact CG1-CD2 4.5Å; I625-F664 HydrophobicContact CG2-CD2 4.31Å
626	I	97	Very high	95	Very high	1 Å²	1	73.3 Å²	73.3	1%	0.005	35%	0.347	C	S	.	.			trans	-106.9	108.9	-175.4	-54.7	-55.4	0	0	0	110.2	Y622 P629 N660 K663 F664	Y622-I626 HydrophobicContact CD1-CB 4.43Å; Y622-I626 HydrophobicContact CD2-CG1 4.19Å; Y622-I626 HydrophobicContact CE1-CB 4.06Å; Y622-I626 HydrophobicContact CE1-CG1 4.43Å; Y622-I626 HydrophobicContact CE1-CG2 4.13Å; Y622-I626 HydrophobicContact CE2-CB 4.33Å; Y622-I626 HydrophobicContact CE2-CG1 3.8Å; Y622-I626 WeakPolarHBondContact O-CB 3.47Å; Y622-I626 PolarHBondContact O-N 3.3Å; I626-P629 HydrophobicContact CG2-CG 4.05Å; I626-N660 HydrophobicContact CD1-CB 4.08Å; I626-N660 HydrophobicContact CG2-CB 3.99Å; I626-N660 VanDerWaalsContact CG2-CG 3.45Å; I626-N660 WeakPolarHBondContact CG2-OD1 3.24Å; I626-K663 HydrophobicContact CD1-CB 4.26Å; I626-K663 HydrophobicContact CD1-CD 4.03Å; I626-K663 HydrophobicContact CD1-CG 4.34Å; I626-F664 HydrophobicContact CD1-CB 4.23Å; I626-F664 HydrophobicContact CG1-CB 4.12Å; I626-F664 HydrophobicContact CG1-CD2 4.43Å
627	K	96.5	Very high	95.5	Very high	136 Å²	136	74.1 Å²	74.1	59%	0.591	35%	0.351	S	S	*	.	S	Bend	trans	-84.8	-33.5	-176.3	-58.3	-57.2	173.9	-163.1	0	113.8	R623 D624	R623-K627 PolarHBondContact O-NZ 3.32Å; R623-K627 VanDerWaalsContact O-NZ 3.16Å; D624-K627 VanDerWaalsContact O-CE 3.32Å; D624-K627 WeakPolarHBondContact O-CE 3.37Å; D624-K627 PolarHBondContact O-NZ 3.04Å
628	H	97.2	Very high	95.9	Very high	137 Å²	137	67.2 Å²	67.2	63%	0.634	31%	0.314	S	S	*	.	S	Bend	trans	-125.4	83.4	-179.9	-56.1	-73.1	0	0	0	109.6	L656 N660	H628-L656 HydrophobicContact CB-CD1 4.4Å; H628-L656 HydrophobicContact CB-CD2 4.07Å; H628-N660 PolarHBondContact O-ND2 3.41Å
629	P	97.5	Very high	96.2	Very high	28 Å²	28	57.2 Å²	57.2	18%	0.182	28%	0.277	C	S	.	.			trans	-63.3	149.9	175.3	-26.3	39.7	0	0	0	111.9	Y622 R623 I626	Y622-P629 HydrophobicContact CE1-CB 4.16Å; Y622-P629 HydrophobicContact CE1-CG 3.9Å; R623-P629 VanDerWaalsContact CZ-CG 3.47Å; R623-P629 VanDerWaalsContact NH1-CD 3.35Å; R623-P629 VanDerWaalsContact NH1-CG 3.33Å; I626-P629 HydrophobicContact CG2-CG 4.05Å
630	M	98.2	Very high	96.5	Very high	24 Å²	24	59.2 Å²	59.2	12%	0.118	29%	0.285	C	S	.	.			trans	-150.3	147.1	176.8	-171.6	53.9	60.9	0	0	108.8	T634 M635 D653 L656 M657	M630-T634 HydrophobicContact CE-CG2 4.11Å; M630-T634 HydrophobicContact SD-CG2 3.69Å; M630-M635 HydrophobicContact CG-CG 4Å; M630-M635 HydrophobicContact CG-SD 4.36Å; M630-M635 HydrophobicContact SD-CG 3.63Å; M630-D653 HydrophobicContact CE-CB 4.24Å; M630-D653 WeakPolarHBondContact CE-OD2 3.35Å; M630-D653 HydrophobicContact CG-CB 3.98Å; M630-D653 VanDerWaalsContact CG-O 3.31Å; M630-D653 WeakPolarHBondContact CG-O 3.26Å; M630-D653 HydrophobicContact SD-CB 4.17Å; M630-L656 HydrophobicContact CB-CB 4.5Å; M630-L656 HydrophobicContact CB-CD2 4.02Å; M630-L656 HydrophobicContact CB-CG 4.06Å; M630-L656 HydrophobicContact CE-CD2 4.47Å; M630-M657 HydrophobicContact CB-CB 4.05Å; M630-M657 HydrophobicContact CG-CB 4.09Å; M630-M657 WeakPolarHBondContact O-CG 3.48Å
631	D	98.5	Very high	96.7	Very high	6 Å²	6	51 Å²	51	3%	0.032	27%	0.265	C	S	.	.			trans	-158	165.4	-174.7	65	90.9	0	0	0	109.4	F610 P613 S633 T634 M635	F610-D631 WeakPolarHBondContact O-CB 3.42Å; P613-D631 WeakPolarHBondContact CA-OD2 3.17Å; P613-D631 WeakPolarHBondContact CB-OD2 3.33Å; P613-D631 WeakPolarHBondContact CD-OD1 3.5Å; P613-D631 VanDerWaalsContact CG-OD2 3.28Å; P613-D631 WeakPolarHBondContact CG-OD2 3.43Å; D631-S633 PolarHBondContact O-N 3.22Å; D631-S633 WeakPolarHBondContact OD1-CA 3.43Å; D631-S633 WeakPolarHBondContact OD1-CB 3.41Å; D631-S633 PolarHBondContact OD1-N 3.43Å; D631-S633 PolarHBondContact OD1-OG 2.85Å; D631-T634 PolarHBondContact O-N 3.4Å; D631-T634 PolarHBondContact OD1-N 2.96Å; D631-T634 PolarHBondContact OD1-OG1 2.58Å; D631-T634 VanDerWaalsContact OD2-CB 3.28Å; D631-T634 WeakPolarHBondContact OD2-CB 3.46Å; D631-T634 PolarHBondContact OD2-OG1 2.94Å; D631-M635 WeakPolarHBondContact O-CG 3.43Å; D631-M635 PolarHBondContact O-N 2.94Å
632	L	98.6	Very high	96.8	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-65.8	-35	-174.6	-65.5	174.4	0	0	0	112.7	L598 L601 D602 D605 F610 M635 R636 M657	L598-L632 HydrophobicContact CD2-CD2 4.01Å; L601-L632 HydrophobicContact CB-CD2 4Å; L601-L632 HydrophobicContact CD1-CD2 4.09Å; D602-L632 WeakPolarHBondContact OD1-CD1 3.38Å; D605-L632 HydrophobicContact CB-CD1 4.11Å; F610-L632 HydrophobicContact CB-CD1 4.02Å; F610-L632 HydrophobicContact CB-CG 4.08Å; F610-L632 PolarHBondContact O-N 3.37Å; L632-M635 HydrophobicContact CD2-SD 4.34Å; L632-M635 PolarHBondContact O-N 3.1Å; L632-R636 VanDerWaalsContact O-CB 3.31Å; L632-R636 WeakPolarHBondContact O-CB 3.4Å; L632-R636 PolarHBondContact O-N 3.22Å; L632-M657 HydrophobicContact CD2-CE 3.96Å; L632-M657 HydrophobicContact CD2-SD 3.96Å; L632-M657 HydrophobicContact CG-CE 4.39Å; L632-M657 HydrophobicContact CG-SD 3.97Å
633	S	98.4	Very high	96.8	Very high	36 Å²	36	60.2 Å²	60.2	25%	0.252	30%	0.298	S	S	.	.	H	α-helix	trans	-66.1	-40.3	175.4	81.6	0	0	0	0	111.9	A611 P613 D631 R636 S637	A611-S633 VanDerWaalsContact O-CB 3.24Å; A611-S633 WeakPolarHBondContact O-CB 3.31Å; A611-S633 PolarHBondContact O-N 3.19Å; P613-S633 WeakPolarHBondContact CD-OG 3.43Å; D631-S633 PolarHBondContact O-N 3.22Å; D631-S633 WeakPolarHBondContact OD1-CA 3.43Å; D631-S633 WeakPolarHBondContact OD1-CB 3.41Å; D631-S633 PolarHBondContact OD1-N 3.43Å; D631-S633 PolarHBondContact OD1-OG 2.85Å; S633-R636 PolarHBondContact O-N 3.47Å; S633-S637 PolarHBondContact O-N 3.37Å
634	T	98.5	Very high	96.8	Very high	44 Å²	44	54.8 Å²	54.8	27%	0.27	28%	0.278	S	S	.	.	H	α-helix	trans	-65.7	-45.3	176.1	-64.5	0	0	0	0	110.4	M630 D631 R636 S637 N638	M630-T634 HydrophobicContact CE-CG2 4.11Å; M630-T634 HydrophobicContact SD-CG2 3.69Å; D631-T634 PolarHBondContact O-N 3.4Å; D631-T634 PolarHBondContact OD1-N 2.96Å; D631-T634 PolarHBondContact OD1-OG1 2.58Å; D631-T634 VanDerWaalsContact OD2-CB 3.28Å; D631-T634 WeakPolarHBondContact OD2-CB 3.46Å; D631-T634 PolarHBondContact OD2-OG1 2.94Å; T634-R636 VanDerWaalsContact C-N 3.33Å; T634-R636 PolarHBondContact O-N 2.95Å; T634-S637 WeakPolarHBondContact O-CB 3.11Å; T634-S637 PolarHBondContact O-N 3.45Å; T634-N638 VanDerWaalsContact O-CG 3.26Å; T634-N638 PolarHBondContact O-N 3.07Å; T634-N638 PolarHBondContact O-OD1 3.43Å
635	M	98.7	Very high	96.5	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-59.7	-42.5	173.5	-67.1	177.8	72.5	0	0	111.6	L598 M630 D631 L632 S637 N638 V639 F650 D653 F654 M657	L598-M635 HydrophobicContact CD2-CB 3.91Å; M630-M635 HydrophobicContact CG-CG 4Å; M630-M635 HydrophobicContact CG-SD 4.36Å; M630-M635 HydrophobicContact SD-CG 3.63Å; D631-M635 WeakPolarHBondContact O-CG 3.43Å; D631-M635 PolarHBondContact O-N 2.94Å; L632-M635 HydrophobicContact CD2-SD 4.34Å; L632-M635 PolarHBondContact O-N 3.1Å; M635-S637 VanDerWaalsContact C-N 3.35Å; M635-S637 PolarHBondContact O-N 3.29Å; M635-N638 WeakPolarHBondContact O-CB 3.4Å; M635-N638 PolarHBondContact O-N 2.73Å; M635-N638 VanDerWaalsContact O-N 3.16Å; M635-V639 WeakPolarHBondContact O-CG2 3.35Å; M635-V639 PolarHBondContact O-N 2.7Å; M635-F650 HydrophobicContact CE-CD1 4.14Å; M635-F650 HydrophobicContact CE-CD2 3.86Å; M635-F650 HydrophobicContact CE-CE1 3.85Å; M635-F650 HydrophobicContact CE-CE2 3.56Å; M635-F650 HydrophobicContact CE-CG 4.14Å; M635-F650 HydrophobicContact CE-CZ 3.54Å; M635-F650 WeakPolarHBondContact CE-O 3.31Å; M635-D653 HydrophobicContact CE-CB 4.21Å; M635-D653 HydrophobicContact CG-CB 4.23Å; M635-D653 HydrophobicContact SD-CB 4.44Å; M635-F654 HydrophobicContact CE-CB 3.95Å; M635-M657 HydrophobicContact SD-SD 4.33Å
636	R	98.5	Very high	96.2	Very high	69 Å²	69	53 Å²	53	26%	0.26	27%	0.268	S	S	.	.	H	α-helix	trans	-61.8	-41.5	174.7	-168	178.6	-76.2	-94.4	7	111.8	L595 L598 D599 D602 L632 S633 T634 N638 V639 L640	L595-R636 HydrophobicContact CD2-CG 4.01Å; L598-R636 VanDerWaalsContact CD1-CA 3.43Å; L598-R636 HydrophobicContact CD1-CB 3.77Å; L598-R636 HydrophobicContact CD1-CG 4.11Å; D599-R636 IonicContact OD1-CZ 3.78Å; D599-R636 IonicContact OD1-NH1 3.26Å; D599-R636 PolarHBondContact OD1-NH1 3.13Å; D599-R636 VanDerWaalsContact OD1-NH1 3.09Å; D599-R636 IonicContact OD1-NH2 2.68Å; D599-R636 PolarHBondContact OD1-NH2 3.03Å; D602-R636 IonicContact OD2-CZ 2.64Å; D602-R636 IonicContact OD2-NH2 2.81Å; D602-R636 PolarHBondContact OD2-NH2 2.91Å; L632-R636 VanDerWaalsContact O-CB 3.31Å; L632-R636 WeakPolarHBondContact O-CB 3.4Å; L632-R636 PolarHBondContact O-N 3.22Å; S633-R636 PolarHBondContact O-N 3.47Å; T634-R636 VanDerWaalsContact C-N 3.33Å; T634-R636 PolarHBondContact O-N 2.95Å; R636-N638 VanDerWaalsContact C-N 3.34Å; R636-V639 PolarHBondContact O-N 3.04Å; R636-L640 HydrophobicContact CG-CD1 4.34Å; R636-L640 WeakPolarHBondContact O-CB 3.49Å; R636-L640 VanDerWaalsContact O-CG 3.26Å; R636-L640 WeakPolarHBondContact O-CG 3.41Å; R636-L640 PolarHBondContact O-N 2.85Å
637	S	98.3	Very high	96.1	Very high	51 Å²	51	53 Å²	53	36%	0.357	27%	0.268	S	S	.	.	H	α-helix	trans	-62.3	-40.7	173.3	176.8	0	0	0	0	112	S633 T634 M635 L640 S641	S633-S637 PolarHBondContact O-N 3.37Å; T634-S637 WeakPolarHBondContact O-CB 3.11Å; T634-S637 PolarHBondContact O-N 3.45Å; M635-S637 VanDerWaalsContact C-N 3.35Å; M635-S637 PolarHBondContact O-N 3.29Å; S637-L640 PolarHBondContact O-N 3.18Å; S637-S641 VanDerWaalsContact O-CB 3.28Å; S637-S641 WeakPolarHBondContact O-CB 3.41Å; S637-S641 PolarHBondContact O-N 3.46Å; S637-S641 PolarHBondContact O-OG 2.95Å
638	N	98.1	Very high	96	Very high	11 Å²	11	49.4 Å²	49.4	6%	0.059	26%	0.255	C	S	.	.	H	α-helix	trans	-63	-45.8	176.5	-69.5	-13	0	0	0	111.3	T634 M635 R636 S641 L642 R643 Y644	T634-N638 VanDerWaalsContact O-CG 3.26Å; T634-N638 PolarHBondContact O-N 3.07Å; T634-N638 PolarHBondContact O-OD1 3.43Å; M635-N638 WeakPolarHBondContact O-CB 3.4Å; M635-N638 PolarHBondContact O-N 2.73Å; M635-N638 VanDerWaalsContact O-N 3.16Å; R636-N638 VanDerWaalsContact C-N 3.34Å; N638-S641 CarbonylContact O-C 3.51Å; N638-S641 PolarHBondContact O-N 3.31Å; N638-L642 PolarHBondContact O-N 2.74Å; N638-R643 HydrophobicContact CB-CB 4.12Å; N638-R643 PolarHBondContact O-N 3.37Å; N638-R643 PolarHBondContact OD1-NE 2.94Å; N638-R643 VanDerWaalsContact OD1-NE 3.12Å; N638-R643 PolarHBondContact OD1-NH1 2.98Å; N638-R643 PolarHBondContact OD1-NH2 2.93Å; N638-Y644 HydrophobicContact CB-CD2 4.01Å; N638-Y644 HydrophobicContact CB-CE1 4.38Å; N638-Y644 HydrophobicContact CB-CE2 3.34Å; N638-Y644 PolarHBondContact ND2-OH 3.16Å
639	V	96.6	Very high	95.9	Very high	3 Å²	3	46 Å²	46	2%	0.018	24%	0.24	C	C	.	.	H	α-helix	trans	-59.8	-48.6	173.9	175.5	0	0	0	0	111.4	K591 L594 L595 L598 M635 R636 S641 L642 Y644 F650	K591-V639 HydrophobicContact CB-CG1 4.46Å; K591-V639 HydrophobicContact CG-CG1 4.04Å; K591-V639 WeakPolarHBondContact O-CG1 3.35Å; L594-V639 HydrophobicContact CB-CG1 3.92Å; L594-V639 HydrophobicContact CB-CG2 3.7Å; L594-V639 HydrophobicContact CD1-CG2 4.14Å; L595-V639 HydrophobicContact CD2-CB 4.46Å; L595-V639 HydrophobicContact CD2-CG1 3.96Å; L595-V639 HydrophobicContact CG-CG1 3.76Å; L598-V639 HydrophobicContact CD1-CB 4.36Å; L598-V639 HydrophobicContact CD1-CG2 3.81Å; M635-V639 WeakPolarHBondContact O-CG2 3.35Å; M635-V639 PolarHBondContact O-N 2.7Å; R636-V639 PolarHBondContact O-N 3.04Å; V639-S641 PolarHBondContact O-N 3.3Å; V639-L642 PolarHBondContact O-N 2.56Å; V639-L642 VanDerWaalsContact O-N 3.08Å; V639-Y644 HydrophobicContact CB-CD2 4.49Å; V639-Y644 HydrophobicContact CG2-CD2 3.59Å; V639-Y644 HydrophobicContact CG2-CE2 3.83Å; V639-F650 HydrophobicContact CG2-CD2 4.03Å; V639-F650 HydrophobicContact CG2-CE2 3.98Å
640	L	95.5	Very high	95.9	Very high	89 Å²	89	44.6 Å²	44.6	47%	0.466	23%	0.231	S	C	.	.	H	α-helix	trans	-63	-31.2	-179.5	-72.4	175	0	0	0	112.9	L595 R636 S637 L642	L595-L640 HydrophobicContact CD1-CD2 4.1Å; L595-L640 HydrophobicContact CD2-CD2 4.23Å; L595-L640 HydrophobicContact CD2-CG 4.44Å; R636-L640 HydrophobicContact CG-CD1 4.34Å; R636-L640 WeakPolarHBondContact O-CB 3.49Å; R636-L640 VanDerWaalsContact O-CG 3.26Å; R636-L640 WeakPolarHBondContact O-CG 3.41Å; R636-L640 PolarHBondContact O-N 2.85Å; S637-L640 PolarHBondContact O-N 3.18Å; L640-L642 VanDerWaalsContact C-N 3.32Å
641	S	95.3	Very high	95.9	Very high	68 Å²	68	44.4 Å²	44.4	48%	0.476	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	6.5	178.3	-49.2	0	0	0	0	113.4	S637 N638 V639 R643	S637-S641 VanDerWaalsContact O-CB 3.28Å; S637-S641 WeakPolarHBondContact O-CB 3.41Å; S637-S641 PolarHBondContact O-N 3.46Å; S637-S641 PolarHBondContact O-OG 2.95Å; N638-S641 CarbonylContact O-C 3.51Å; N638-S641 PolarHBondContact O-N 3.31Å; V639-S641 PolarHBondContact O-N 3.3Å; S641-R643 VanDerWaalsContact C-N 3.29Å; S641-R643 PolarHBondContact O-N 3.29Å
642	L	93.3	Very high	95.9	Very high	81 Å²	81	50.6 Å²	50.6	42%	0.424	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	36	-179.2	-52	175.8	0	0	0	113.5	W588 K591 N638 V639 L640	W588-L642 HydrophobicContact CE3-CD1 3.84Å; W588-L642 HydrophobicContact CE3-CD2 4.06Å; W588-L642 HydrophobicContact CH2-CD1 4.11Å; W588-L642 HydrophobicContact CZ3-CD1 3.52Å; K591-L642 HydrophobicContact CB-CD2 4Å; K591-L642 HydrophobicContact CD-CD2 3.87Å; K591-L642 HydrophobicContact CG-CD2 4.39Å; N638-L642 PolarHBondContact O-N 2.74Å; V639-L642 PolarHBondContact O-N 2.56Å; V639-L642 VanDerWaalsContact O-N 3.08Å; L640-L642 VanDerWaalsContact C-N 3.32Å
643	R	94.6	Very high	95.9	Very high	148 Å²	148	52.1 Å²	52.1	56%	0.558	27%	0.268	S	S	*	.			trans	-84.6	-18.6	-179	-76	-164.1	-96.9	175.1	-2.6	114.8	N638 S641	N638-R643 HydrophobicContact CB-CB 4.12Å; N638-R643 PolarHBondContact O-N 3.37Å; N638-R643 PolarHBondContact OD1-NE 2.94Å; N638-R643 VanDerWaalsContact OD1-NE 3.12Å; N638-R643 PolarHBondContact OD1-NH1 2.98Å; N638-R643 PolarHBondContact OD1-NH2 2.93Å; S641-R643 VanDerWaalsContact C-N 3.29Å; S641-R643 PolarHBondContact O-N 3.29Å
644	Y	94.4	Very high	95.9	Very high	17 Å²	17	51 Å²	51	7%	0.067	26%	0.258	C	S	.	.			trans	-94.8	116.7	172.5	-60.2	-57.7	0	0	0	109.1	L594 N638 V639 E649 F650 D653	L594-Y644 HydrophobicContact CD1-CD2 4.15Å; L594-Y644 HydrophobicContact CD1-CG 4.33Å; N638-Y644 HydrophobicContact CB-CD2 4.01Å; N638-Y644 HydrophobicContact CB-CE1 4.38Å; N638-Y644 HydrophobicContact CB-CE2 3.34Å; N638-Y644 PolarHBondContact ND2-OH 3.16Å; V639-Y644 HydrophobicContact CB-CD2 4.49Å; V639-Y644 HydrophobicContact CG2-CD2 3.59Å; V639-Y644 HydrophobicContact CG2-CE2 3.83Å; Y644-E649 WeakPolarHBondContact CA-OE2 3.34Å; Y644-E649 HydrophobicContact CD1-CB 3.79Å; Y644-F650 HydrophobicContact CD1-CB 4.29Å; Y644-F650 HydrophobicContact CD2-CB 4.28Å; Y644-F650 AromaticContact CD2-CD2 3.79Å; Y644-F650 HydrophobicContact CD2-CD2 3.79Å; Y644-F650 AromaticContact CE2-CD2 3.65Å; Y644-F650 HydrophobicContact CE2-CD2 3.65Å; Y644-F650 HydrophobicContact CE2-CE2 4.4Å; Y644-F650 HydrophobicContact CG-CB 4.14Å; Y644-F650 HydrophobicContact CG-CD2 4.48Å; Y644-D653 HydrophobicContact CE1-CB 4.32Å; Y644-D653 VanDerWaalsContact CE1-OD2 3.25Å; Y644-D653 WeakPolarHBondContact CE1-OD2 3.49Å; Y644-D653 VanDerWaalsContact CZ-OD2 3.29Å; Y644-D653 WeakPolarHBondContact OH-CB 3.18Å; Y644-D653 PolarHBondContact OH-OD2 3.41Å
645	L	88	Confident	95.9	Very high	106 Å²	106	54.2 Å²	54.2	56%	0.555	27%	0.27	S	S	*	.	S	Bend	trans	-82.8	-26.6	176.4	-64.1	177.3	0	0	0	111.8	I590 E649	I590-L645 WeakPolarHBondContact CD1-O 3.39Å; L645-E649 PolarHBondContact N-OE2 3.41Å
646	D	89.3	Confident	95.9	Very high	55 Å²	55	56.6 Å²	56.6	29%	0.294	28%	0.283	S	S	.	.	S	Bend	trans	-143.1	174.7	176.1	67.8	33.8	0	0	0	112.2	D648 E649 F693	D646-D648 VanDerWaalsContact C-N 3.29Å; D646-D648 WeakPolarHBondContact OD1-CA 3.13Å; D646-D648 WeakPolarHBondContact OD1-CB 3.39Å; D646-D648 PolarHBondContact OD1-N 3.08Å; D646-E649 PolarHBondContact OD1-N 3.38Å; D646-F693 HydrophobicContact CB-CE1 4.32Å; D646-F693 HydrophobicContact CB-CZ 4.31Å
647	V	93.5	Very high	95.9	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.006	27%	0.271	C	S	.	.	H	α-helix	trans	-72.1	-21.3	177.8	68.4	0	0	0	0	113.2	F593 L594 F650 A651 A689 V690 F693	F593-V647 HydrophobicContact CE1-CG2 4.4Å; L594-V647 HydrophobicContact CD2-CG2 4.26Å; V647-F650 PolarHBondContact O-N 3.05Å; V647-A651 WeakPolarHBondContact O-CB 3.33Å; V647-A651 PolarHBondContact O-N 2.83Å; V647-A689 HydrophobicContact CG2-CB 4.17Å; V647-V690 HydrophobicContact CG1-CB 4.4Å; V647-V690 HydrophobicContact CG1-CG2 4.1Å; V647-V690 HydrophobicContact CG2-CG2 4Å; V647-F693 HydrophobicContact CB-CB 4.04Å; V647-F693 HydrophobicContact CB-CD1 4.29Å; V647-F693 HydrophobicContact CB-CD2 4.06Å; V647-F693 HydrophobicContact CB-CG 3.87Å; V647-F693 HydrophobicContact CG1-CB 3.74Å; V647-F693 HydrophobicContact CG1-CD1 3.73Å; V647-F693 HydrophobicContact CG1-CD2 4.37Å; V647-F693 HydrophobicContact CG1-CE1 4.44Å; V647-F693 HydrophobicContact CG1-CG 3.69Å; V647-F693 HydrophobicContact CG2-CB 4.48Å
648	D	94.4	Very high	95.9	Very high	61 Å²	61	51.1 Å²	51.1	33%	0.326	26%	0.255	S	S	.	.	H	α-helix	trans	-77.3	-35.6	-176.9	-69.6	-43	0	0	0	110.6	D646 A651 K652	D646-D648 VanDerWaalsContact C-N 3.29Å; D646-D648 WeakPolarHBondContact OD1-CA 3.13Å; D646-D648 WeakPolarHBondContact OD1-CB 3.39Å; D646-D648 PolarHBondContact OD1-N 3.08Å; D648-A651 PolarHBondContact O-N 3.43Å; D648-K652 WeakPolarHBondContact O-CG 3.4Å; D648-K652 PolarHBondContact O-N 3.45Å
649	E	96	Very high	95.9	Very high	65 Å²	65	53.4 Å²	53.4	30%	0.304	27%	0.267	S	S	.	.	H	α-helix	trans	-62.1	-43.7	168.7	-67.7	-177.3	155.1	0	0	111.9	Y644 L645 D646 A651 K652 D653	Y644-E649 WeakPolarHBondContact CA-OE2 3.34Å; Y644-E649 HydrophobicContact CD1-CB 3.79Å; L645-E649 PolarHBondContact N-OE2 3.41Å; D646-E649 PolarHBondContact OD1-N 3.38Å; E649-A651 VanDerWaalsContact C-N 3.34Å; E649-A651 PolarHBondContact O-N 2.92Å; E649-K652 PolarHBondContact O-N 3.03Å; E649-D653 PolarHBondContact O-N 2.92Å
650	F	97.5	Very high	96	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.3	-42.6	174	179.5	-87.6	0	0	0	111.7	L594 V597 L598 L601 M635 V639 Y644 V647 K652 D653 F654 I686	L594-F650 HydrophobicContact CB-CD2 4.35Å; L594-F650 HydrophobicContact CB-CE2 4.42Å; L594-F650 HydrophobicContact CD1-CB 4.14Å; L594-F650 HydrophobicContact CD1-CD2 4.06Å; L594-F650 HydrophobicContact CD1-CG 4.29Å; L594-F650 HydrophobicContact CD2-CB 4.05Å; L594-F650 HydrophobicContact CD2-CD1 4.11Å; L594-F650 HydrophobicContact CD2-CD2 4.07Å; L594-F650 HydrophobicContact CD2-CG 3.82Å; L594-F650 HydrophobicContact CG-CD2 4.39Å; V597-F650 HydrophobicContact CB-CE1 4.39Å; V597-F650 HydrophobicContact CB-CZ 4.43Å; V597-F650 HydrophobicContact CG1-CD1 4.49Å; V597-F650 HydrophobicContact CG1-CE1 3.54Å; V597-F650 HydrophobicContact CG1-CZ 3.92Å; L598-F650 HydrophobicContact CD1-CE2 4.08Å; L598-F650 HydrophobicContact CD2-CE2 3.83Å; L598-F650 HydrophobicContact CD2-CZ 3.72Å; L598-F650 HydrophobicContact CG-CE2 3.71Å; L598-F650 HydrophobicContact CG-CZ 3.73Å; L601-F650 HydrophobicContact CD1-CE1 4.27Å; L601-F650 HydrophobicContact CD1-CZ 4.17Å; M635-F650 HydrophobicContact CE-CD1 4.14Å; M635-F650 HydrophobicContact CE-CD2 3.86Å; M635-F650 HydrophobicContact CE-CE1 3.85Å; M635-F650 HydrophobicContact CE-CE2 3.56Å; M635-F650 HydrophobicContact CE-CG 4.14Å; M635-F650 HydrophobicContact CE-CZ 3.54Å; M635-F650 WeakPolarHBondContact CE-O 3.31Å; V639-F650 HydrophobicContact CG2-CD2 4.03Å; V639-F650 HydrophobicContact CG2-CE2 3.98Å; Y644-F650 HydrophobicContact CD1-CB 4.29Å; Y644-F650 HydrophobicContact CD2-CB 4.28Å; Y644-F650 AromaticContact CD2-CD2 3.79Å; Y644-F650 HydrophobicContact CD2-CD2 3.79Å; Y644-F650 AromaticContact CE2-CD2 3.65Å; Y644-F650 HydrophobicContact CE2-CD2 3.65Å; Y644-F650 HydrophobicContact CE2-CE2 4.4Å; Y644-F650 HydrophobicContact CG-CB 4.14Å; Y644-F650 HydrophobicContact CG-CD2 4.48Å; V647-F650 PolarHBondContact O-N 3.05Å; F650-K652 VanDerWaalsContact C-N 3.35Å; F650-K652 PolarHBondContact O-N 3.43Å; F650-D653 PolarHBondContact O-N 2.84Å; F650-F654 PolarHBondContact O-N 3.4Å; F650-F654 VanDerWaalsContact O-N 3.09Å; F650-I686 HydrophobicContact CD1-CD1 3.96Å; F650-I686 HydrophobicContact CE1-CD1 3.52Å
651	A	97.8	Very high	96.1	Very high	19 Å²	19	50.3 Å²	50.3	16%	0.157	25%	0.251	C	S	.	.	H	α-helix	trans	-64.8	-35.7	178.1	0	0	0	0	0	112.9	V647 D648 E649 F654 E655 I686	V647-A651 WeakPolarHBondContact O-CB 3.33Å; V647-A651 PolarHBondContact O-N 2.83Å; D648-A651 PolarHBondContact O-N 3.43Å; E649-A651 VanDerWaalsContact C-N 3.34Å; E649-A651 PolarHBondContact O-N 2.92Å; A651-F654 WeakPolarHBondContact O-CB 3.4Å; A651-F654 PolarHBondContact O-N 3.25Å; A651-E655 WeakPolarHBondContact O-CB 3.37Å; A651-E655 PolarHBondContact O-N 2.79Å; A651-I686 HydrophobicContact CB-CG2 3.6Å
652	K	98.2	Very high	96.2	Very high	137 Å²	137	48 Å²	48	60%	0.596	23%	0.234	S	C	*	.	H	α-helix	trans	-62.5	-41.7	174.4	-74.1	168.3	-172.1	165.8	0	112	D648 E649 F650 E655 L656	D648-K652 WeakPolarHBondContact O-CG 3.4Å; D648-K652 PolarHBondContact O-N 3.45Å; E649-K652 PolarHBondContact O-N 3.03Å; F650-K652 VanDerWaalsContact C-N 3.35Å; F650-K652 PolarHBondContact O-N 3.43Å; K652-E655 PolarHBondContact O-N 3.2Å; K652-L656 WeakPolarHBondContact O-CB 3.28Å; K652-L656 PolarHBondContact O-N 2.85Å
653	D	98.5	Very high	96.4	Very high	33 Å²	33	50.3 Å²	50.3	18%	0.176	24%	0.24	C	C	.	.	H	α-helix	trans	-70	-36.2	177.6	-85.1	-2.8	0	0	0	112.2	M630 M635 Y644 E649 F650 L656 M657	M630-D653 HydrophobicContact CE-CB 4.24Å; M630-D653 WeakPolarHBondContact CE-OD2 3.35Å; M630-D653 HydrophobicContact CG-CB 3.98Å; M630-D653 VanDerWaalsContact CG-O 3.31Å; M630-D653 WeakPolarHBondContact CG-O 3.26Å; M630-D653 HydrophobicContact SD-CB 4.17Å; M635-D653 HydrophobicContact CE-CB 4.21Å; M635-D653 HydrophobicContact CG-CB 4.23Å; M635-D653 HydrophobicContact SD-CB 4.44Å; Y644-D653 HydrophobicContact CE1-CB 4.32Å; Y644-D653 VanDerWaalsContact CE1-OD2 3.25Å; Y644-D653 WeakPolarHBondContact CE1-OD2 3.49Å; Y644-D653 VanDerWaalsContact CZ-OD2 3.29Å; Y644-D653 WeakPolarHBondContact OH-CB 3.18Å; Y644-D653 PolarHBondContact OH-OD2 3.41Å; E649-D653 PolarHBondContact O-N 2.92Å; F650-D653 PolarHBondContact O-N 2.84Å; D653-L656 PolarHBondContact O-N 2.85Å; D653-M657 WeakPolarHBondContact O-CB 3.3Å; D653-M657 PolarHBondContact O-N 2.98Å
654	F	98.7	Very high	96.5	Very high	13 Å²	13	45.5 Å²	45.5	6%	0.057	22%	0.223	C	C	.	.	H	α-helix	trans	-59.5	-46.4	169.3	171.2	-94.8	0	0	0	111.7	L601 M635 F650 A651 M657 V658 M678 I686	L601-F654 HydrophobicContact CD1-CD2 4.04Å; L601-F654 HydrophobicContact CD1-CE2 4.45Å; L601-F654 HydrophobicContact CD2-CD2 4.18Å; L601-F654 HydrophobicContact CD2-CE2 3.77Å; M635-F654 HydrophobicContact CE-CB 3.95Å; F650-F654 PolarHBondContact O-N 3.4Å; F650-F654 VanDerWaalsContact O-N 3.09Å; A651-F654 WeakPolarHBondContact O-CB 3.4Å; A651-F654 PolarHBondContact O-N 3.25Å; F654-M657 HydrophobicContact CD2-CE 3.7Å; F654-M657 HydrophobicContact CE2-CE 3.97Å; F654-M657 WeakPolarHBondContact O-CB 3.44Å; F654-M657 PolarHBondContact O-N 3.44Å; F654-V658 HydrophobicContact CE1-CG2 4.07Å; F654-V658 HydrophobicContact CE2-CG2 4.08Å; F654-V658 HydrophobicContact CZ-CG2 3.81Å; F654-V658 WeakPolarHBondContact O-CG2 3.44Å; F654-V658 PolarHBondContact O-N 3.24Å; F654-M678 HydrophobicContact CE2-CG 4.01Å; F654-M678 HydrophobicContact CE2-SD 3.92Å; F654-M678 HydrophobicContact CZ-CG 4.3Å; F654-M678 HydrophobicContact CZ-SD 4.48Å; F654-I686 HydrophobicContact CB-CD1 4.05Å; F654-I686 HydrophobicContact CB-CG1 4.23Å; F654-I686 HydrophobicContact CD1-CD1 4.34Å; F654-I686 HydrophobicContact CD1-CG1 3.6Å; F654-I686 HydrophobicContact CD2-CD1 4.19Å; F654-I686 HydrophobicContact CD2-CG1 4.04Å; F654-I686 HydrophobicContact CE1-CG1 3.89Å; F654-I686 HydrophobicContact CE2-CG1 4.32Å; F654-I686 HydrophobicContact CG-CD1 3.92Å; F654-I686 HydrophobicContact CG-CG1 3.67Å; F654-I686 HydrophobicContact CZ-CG1 4.24Å
655	E	98.5	Very high	96.5	Very high	111 Å²	111	45.6 Å²	45.6	52%	0.519	23%	0.225	S	C	.	.	H	α-helix	trans	-64.7	-40.4	178.3	178.4	168.6	-159.9	0	0	111.6	A651 K652 V658 N659	A651-E655 WeakPolarHBondContact O-CB 3.37Å; A651-E655 PolarHBondContact O-N 2.79Å; K652-E655 PolarHBondContact O-N 3.2Å; E655-V658 PolarHBondContact O-N 3.24Å; E655-N659 WeakPolarHBondContact CG-ND2 3.28Å; E655-N659 VanDerWaalsContact O-CB 3.23Å; E655-N659 WeakPolarHBondContact O-CB 3.28Å; E655-N659 VanDerWaalsContact O-CG 3.23Å; E655-N659 PolarHBondContact O-N 3.39Å; E655-N659 PolarHBondContact O-ND2 2.86Å
656	L	98.7	Very high	96.7	Very high	50 Å²	50	48.4 Å²	48.4	26%	0.262	24%	0.236	S	C	.	.	H	α-helix	trans	-58.5	-47.6	173.5	176.4	61	0	0	0	111.3	H628 M630 K652 D653 V658 N659 N660	H628-L656 HydrophobicContact CB-CD1 4.4Å; H628-L656 HydrophobicContact CB-CD2 4.07Å; M630-L656 HydrophobicContact CB-CB 4.5Å; M630-L656 HydrophobicContact CB-CD2 4.02Å; M630-L656 HydrophobicContact CB-CG 4.06Å; M630-L656 HydrophobicContact CE-CD2 4.47Å; K652-L656 WeakPolarHBondContact O-CB 3.28Å; K652-L656 PolarHBondContact O-N 2.85Å; D653-L656 PolarHBondContact O-N 2.85Å; L656-V658 PolarHBondContact O-N 3.36Å; L656-N659 PolarHBondContact O-N 3.23Å; L656-N660 VanDerWaalsContact O-CB 3.23Å; L656-N660 WeakPolarHBondContact O-CB 3.34Å; L656-N660 PolarHBondContact O-N 2.94Å; L656-N660 PolarHBondContact O-ND2 3.12Å
657	M	98.6	Very high	96.7	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.015	26%	0.263	C	S	.	.	H	α-helix	trans	-56.7	-50.3	177.2	176.5	-176.1	76.6	0	0	111.7	F610 M630 L632 M635 D653 F654 C661 M678	F610-M657 HydrophobicContact CB-CE 4.29Å; F610-M657 HydrophobicContact CB-SD 3.8Å; F610-M657 HydrophobicContact CD1-CE 4.15Å; F610-M657 HydrophobicContact CD1-CG 3.66Å; F610-M657 HydrophobicContact CD1-SD 3.95Å; F610-M657 HydrophobicContact CE1-CG 4.38Å; F610-M657 HydrophobicContact CG-CE 4.29Å; F610-M657 HydrophobicContact CG-CG 4.47Å; F610-M657 HydrophobicContact CG-SD 4.19Å; M630-M657 HydrophobicContact CB-CB 4.05Å; M630-M657 HydrophobicContact CG-CB 4.09Å; M630-M657 WeakPolarHBondContact O-CG 3.48Å; L632-M657 HydrophobicContact CD2-CE 3.96Å; L632-M657 HydrophobicContact CD2-SD 3.96Å; L632-M657 HydrophobicContact CG-CE 4.39Å; L632-M657 HydrophobicContact CG-SD 3.97Å; M635-M657 HydrophobicContact SD-SD 4.33Å; D653-M657 WeakPolarHBondContact O-CB 3.3Å; D653-M657 PolarHBondContact O-N 2.98Å; F654-M657 HydrophobicContact CD2-CE 3.7Å; F654-M657 HydrophobicContact CE2-CE 3.97Å; F654-M657 WeakPolarHBondContact O-CB 3.44Å; F654-M657 PolarHBondContact O-N 3.44Å; M657-C661 PolarHBondContact O-N 2.85Å; M657-M678 HydrophobicContact CE-CG 4.27Å
658	V	98.5	Very high	96.8	Very high	2 Å²	2	53 Å²	53	1%	0.012	28%	0.28	C	S	.	.	H	α-helix	trans	-65.4	-46.9	179.5	169.2	0	0	0	0	111.7	F654 E655 L656 N660 C661 L662 M678 K679	F654-V658 HydrophobicContact CE1-CG2 4.07Å; F654-V658 HydrophobicContact CE2-CG2 4.08Å; F654-V658 HydrophobicContact CZ-CG2 3.81Å; F654-V658 WeakPolarHBondContact O-CG2 3.44Å; F654-V658 PolarHBondContact O-N 3.24Å; E655-V658 PolarHBondContact O-N 3.24Å; L656-V658 PolarHBondContact O-N 3.36Å; V658-N660 VanDerWaalsContact C-N 3.32Å; V658-N660 PolarHBondContact O-N 3.4Å; V658-C661 WeakPolarHBondContact O-CB 3.46Å; V658-C661 PolarHBondContact O-N 3.28Å; V658-C661 VanDerWaalsContact O-N 3.17Å; V658-L662 HydrophobicContact CG1-CD1 4.11Å; V658-L662 WeakPolarHBondContact O-CG 3.28Å; V658-L662 PolarHBondContact O-N 3.43Å; V658-M678 HydrophobicContact CG2-CB 4.41Å; V658-M678 HydrophobicContact CG2-CG 3.84Å; V658-K679 HydrophobicContact CG1-CB 3.58Å; V658-K679 HydrophobicContact CG1-CD 4Å; V658-K679 HydrophobicContact CG1-CG 3.9Å
659	N	98.4	Very high	96.8	Very high	60 Å²	60	57.6 Å²	57.6	32%	0.321	30%	0.299	S	S	.	.	H	α-helix	trans	-66.7	-34.6	-178.5	-72.9	-23.3	0	0	0	111.7	E655 L656 C661 L662 K663	E655-N659 WeakPolarHBondContact CG-ND2 3.28Å; E655-N659 VanDerWaalsContact O-CB 3.23Å; E655-N659 WeakPolarHBondContact O-CB 3.28Å; E655-N659 VanDerWaalsContact O-CG 3.23Å; E655-N659 PolarHBondContact O-N 3.39Å; E655-N659 PolarHBondContact O-ND2 2.86Å; L656-N659 PolarHBondContact O-N 3.23Å; N659-C661 VanDerWaalsContact C-N 3.34Å; N659-L662 PolarHBondContact O-N 2.68Å; N659-K663 WeakPolarHBondContact O-CB 3.47Å; N659-K663 PolarHBondContact O-N 3.26Å
660	N	98	Very high	96.8	Very high	15 Å²	15	59.8 Å²	59.8	8%	0.08	31%	0.305	C	S	.	.	H	α-helix	trans	-61.4	-43.4	172	-74.9	-21.4	0	0	0	111.7	I626 H628 L656 V658 F664	I626-N660 HydrophobicContact CD1-CB 4.08Å; I626-N660 HydrophobicContact CG2-CB 3.99Å; I626-N660 VanDerWaalsContact CG2-CG 3.45Å; I626-N660 WeakPolarHBondContact CG2-OD1 3.24Å; H628-N660 PolarHBondContact O-ND2 3.41Å; L656-N660 VanDerWaalsContact O-CB 3.23Å; L656-N660 WeakPolarHBondContact O-CB 3.34Å; L656-N660 PolarHBondContact O-N 2.94Å; L656-N660 PolarHBondContact O-ND2 3.12Å; V658-N660 VanDerWaalsContact C-N 3.32Å; V658-N660 PolarHBondContact O-N 3.4Å; N660-F664 WeakPolarHBondContact O-CB 3.42Å; N660-F664 PolarHBondContact O-N 2.86Å; N660-F664 VanDerWaalsContact O-N 3.07Å
661	C	97.6	Very high	96.7	Very high	11 Å²	11	63.4 Å²	63.4	7%	0.074	32%	0.322	C	S	.	.	H	α-helix	trans	-62	-49.6	176.8	-178.2	0	0	0	0	111.6	F610 M657 V658 N659 K663 N665 F671	F610-C661 HydrophobicContact CE1-CB 3.7Å; F610-C661 HydrophobicContact CZ-CB 4.26Å; M657-C661 PolarHBondContact O-N 2.85Å; V658-C661 WeakPolarHBondContact O-CB 3.46Å; V658-C661 PolarHBondContact O-N 3.28Å; V658-C661 VanDerWaalsContact O-N 3.17Å; N659-C661 VanDerWaalsContact C-N 3.34Å; C661-K663 PolarHBondContact O-N 3.38Å; C661-N665 VanDerWaalsContact O-CB 3.24Å; C661-N665 WeakPolarHBondContact O-CB 3.22Å; C661-N665 PolarHBondContact O-N 3.48Å; C661-N665 PolarHBondContact O-ND2 2.83Å; C661-F671 PolarHBondContact SG-O 2.9Å
662	L	98.1	Very high	96.7	Very high	20 Å²	20	66.4 Å²	66.4	11%	0.105	33%	0.329	C	S	.	.	H	α-helix	trans	-63.3	-42.5	179.5	-65.2	175.5	0	0	0	112.2	V658 N659 E666 Y672 L676 K679	V658-L662 HydrophobicContact CG1-CD1 4.11Å; V658-L662 WeakPolarHBondContact O-CG 3.28Å; V658-L662 PolarHBondContact O-N 3.43Å; N659-L662 PolarHBondContact O-N 2.68Å; L662-E666 PolarHBondContact O-N 2.84Å; L662-Y672 HydrophobicContact CB-CE2 4.09Å; L662-Y672 HydrophobicContact CD2-CD1 4.5Å; L662-Y672 HydrophobicContact CD2-CD2 3.94Å; L662-Y672 HydrophobicContact CD2-CE1 4.42Å; L662-Y672 HydrophobicContact CD2-CE2 3.84Å; L662-Y672 HydrophobicContact CD2-CG 4.27Å; L662-Y672 WeakPolarHBondContact O-CE2 3.25Å; L662-L676 HydrophobicContact CD1-CD2 4.41Å; L662-L676 HydrophobicContact CD2-CD2 3.92Å; L662-L676 HydrophobicContact CD2-CG 3.93Å; L662-K679 HydrophobicContact CD1-CD 4.06Å
663	K	96.9	Very high	96.7	Very high	129 Å²	129	62 Å²	62	56%	0.561	32%	0.316	S	S	*	.	H	α-helix	trans	-65.3	-43	-179.2	-177.1	-177.7	179.8	-165.4	0	112.7	I625 I626 N659 C661	I625-K663 HydrophobicContact CG2-CD 4.35Å; I625-K663 HydrophobicContact CG2-CG 4.26Å; I625-K663 PolarHBondContact O-NZ 3.02Å; I625-K663 VanDerWaalsContact O-NZ 3.12Å; I626-K663 HydrophobicContact CD1-CB 4.26Å; I626-K663 HydrophobicContact CD1-CD 4.03Å; I626-K663 HydrophobicContact CD1-CG 4.34Å; N659-K663 WeakPolarHBondContact O-CB 3.47Å; N659-K663 PolarHBondContact O-N 3.26Å; C661-K663 PolarHBondContact O-N 3.38Å
664	F	96.6	Very high	96.6	Very high	47 Å²	47	61 Å²	61	21%	0.206	31%	0.31	C	S	.	.	H	α-helix	trans	-76.4	-32.4	-178.5	-173.6	-98.3	0	0	0	112.3	V619 Y622 I625 I626 N660	V619-F664 HydrophobicContact CG1-CD1 4.38Å; V619-F664 HydrophobicContact CG1-CE1 3.33Å; V619-F664 HydrophobicContact CG1-CE2 4.5Å; V619-F664 HydrophobicContact CG1-CZ 3.41Å; V619-F664 VanDerWaalsContact CG1-CZ 3.41Å; Y622-F664 VanDerWaalsContact CA-CE2 3.44Å; Y622-F664 HydrophobicContact CD2-CB 4.37Å; Y622-F664 AromaticContact CD2-CD1 3.85Å; Y622-F664 HydrophobicContact CD2-CD1 3.85Å; Y622-F664 AromaticContact CD2-CD2 3.71Å; Y622-F664 HydrophobicContact CD2-CD2 3.71Å; Y622-F664 HydrophobicContact CD2-CE1 4.05Å; Y622-F664 AromaticContact CD2-CE2 3.93Å; Y622-F664 HydrophobicContact CD2-CE2 3.93Å; Y622-F664 AromaticContact CD2-CG 3.68Å; Y622-F664 HydrophobicContact CD2-CG 3.68Å; Y622-F664 HydrophobicContact CD2-CZ 4.09Å; Y622-F664 HydrophobicContact CE2-CB 4.24Å; Y622-F664 HydrophobicContact CE2-CD1 4.26Å; Y622-F664 HydrophobicContact CE2-CD2 4.39Å; Y622-F664 HydrophobicContact CE2-CG 4.02Å; Y622-F664 HydrophobicContact CG-CE2 4.47Å; I625-F664 HydrophobicContact CB-CD2 4.11Å; I625-F664 HydrophobicContact CD1-CD2 3.86Å; I625-F664 HydrophobicContact CD1-CE2 3.87Å; I625-F664 HydrophobicContact CG1-CD2 4.5Å; I625-F664 HydrophobicContact CG2-CD2 4.31Å; I626-F664 HydrophobicContact CD1-CB 4.23Å; I626-F664 HydrophobicContact CG1-CB 4.12Å; I626-F664 HydrophobicContact CG1-CD2 4.43Å; N660-F664 WeakPolarHBondContact O-CB 3.42Å; N660-F664 PolarHBondContact O-N 2.86Å; N660-F664 VanDerWaalsContact O-N 3.07Å
665	N	95.2	Very high	96.6	Very high	19 Å²	19	60.4 Å²	60.4	10%	0.102	31%	0.308	C	S	.	.			trans	-101.3	20.3	-170.3	-63.8	-64.3	0	0	0	114.6	C661 G667 N668 F671 Y672	C661-N665 VanDerWaalsContact O-CB 3.24Å; C661-N665 WeakPolarHBondContact O-CB 3.22Å; C661-N665 PolarHBondContact O-N 3.48Å; C661-N665 PolarHBondContact O-ND2 2.83Å; N665-G667 PolarHBondContact O-N 3.02Å; N665-N668 HydrophobicContact CB-CB 4.14Å; N665-N668 CarbonylContact O-C 3.59Å; N665-N668 PolarHBondContact O-N 3.32Å; N665-F671 HydrophobicContact CB-CB 3.87Å; N665-F671 WeakPolarHBondContact ND2-CB 3.45Å; N665-Y672 WeakPolarHBondContact O-CB 3.3Å
666	E	91.8	Very high	96.6	Very high	166 Å²	166	59.1 Å²	59.1	78%	0.776	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-31.6	-179.7	-170.2	175.4	-173.8	0	0	113.4	L662	L662-E666 PolarHBondContact O-N 2.84Å
667	G	90.2	Very high	96.6	Very high	85 Å²	85	60 Å²	60	88%	0.876	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-4	174	0	0	0	0	0	116.2	N665	N665-G667 PolarHBondContact O-N 3.02Å
668	N	94.3	Very high	96.5	Very high	67 Å²	67	59.9 Å²	59.9	36%	0.358	30%	0.303	S	S	.	.			trans	-109.6	94.6	-179.6	-171.8	-35.7	0	0	0	110.3	N665 Y670 F671 Y672	N665-N668 HydrophobicContact CB-CB 4.14Å; N665-N668 CarbonylContact O-C 3.59Å; N665-N668 PolarHBondContact O-N 3.32Å; N668-Y670 VanDerWaalsContact C-N 3.26Å; N668-Y670 PolarHBondContact O-N 2.93Å; N668-Y670 VanDerWaalsContact O-N 3.15Å; N668-Y670 PolarHBondContact OD1-N 3.26Å; N668-F671 HydrophobicContact CB-CD2 4.46Å; N668-F671 VanDerWaalsContact ND2-CD2 3.3Å; N668-F671 WeakPolarHBondContact ND2-CD2 3.4Å; N668-F671 PolarHBondContact O-N 3.08Å; N668-Y672 VanDerWaalsContact O-CB 3.25Å; N668-Y672 WeakPolarHBondContact O-CB 3.46Å; N668-Y672 PolarHBondContact O-N 3.17Å
669	H	94.2	Very high	96.5	Very high	157 Å²	157	64.7 Å²	64.7	73%	0.727	32%	0.324	S	S	*	.	H	α-helix	trans	-55.1	-36.9	-172.1	-171.4	-80.8	0	0	0	114	S673	H669-S673 PolarHBondContact CE1-OG 3.48Å; H669-S673 VanDerWaalsContact CE1-OG 3.28Å; H669-S673 PolarHBondContact ND1-OG 3.47Å; H669-S673 WeakPolarHBondContact O-CB 3.31Å; H669-S673 PolarHBondContact O-N 3.4Å; H669-S673 PolarHBondContact O-OG 2.92Å
670	Y	96.3	Very high	96.5	Very high	111 Å²	111	68.4 Å²	68.4	44%	0.435	34%	0.337	S	S	.	.	H	α-helix	trans	-66.9	-58.3	-178.3	173.4	-101.9	0	0	0	111.3	D607 V609 N668 Y672 S673 E674	D607-Y670 WeakPolarHBondContact CB-OH 3.19Å; D607-Y670 PolarHBondContact OD2-OH 2.97Å; V609-Y670 HydrophobicContact CG2-CE1 4.35Å; N668-Y670 VanDerWaalsContact C-N 3.26Å; N668-Y670 PolarHBondContact O-N 2.93Å; N668-Y670 VanDerWaalsContact O-N 3.15Å; N668-Y670 PolarHBondContact OD1-N 3.26Å; Y670-Y672 VanDerWaalsContact C-N 3.29Å; Y670-Y672 PolarHBondContact O-N 2.9Å; Y670-S673 PolarHBondContact O-N 3.42Å; Y670-E674 WeakPolarHBondContact O-CB 3.25Å; Y670-E674 PolarHBondContact O-N 3.19Å
671	F	96.3	Very high	96.5	Very high	77 Å²	77	70.9 Å²	70.9	34%	0.338	35%	0.348	S	S	.	.	H	α-helix	trans	-66.6	-32.1	179.6	-65.3	-62.5	0	0	0	112.4	V609 C661 N665 N668 E674 G675	V609-F671 HydrophobicContact CG1-CD1 3.75Å; V609-F671 HydrophobicContact CG1-CE1 4.22Å; V609-F671 HydrophobicContact CG2-CD1 4.14Å; V609-F671 HydrophobicContact CG2-CE1 4.1Å; C661-F671 PolarHBondContact SG-O 2.9Å; N665-F671 HydrophobicContact CB-CB 3.87Å; N665-F671 WeakPolarHBondContact ND2-CB 3.45Å; N668-F671 HydrophobicContact CB-CD2 4.46Å; N668-F671 VanDerWaalsContact ND2-CD2 3.3Å; N668-F671 WeakPolarHBondContact ND2-CD2 3.4Å; N668-F671 PolarHBondContact O-N 3.08Å; F671-E674 PolarHBondContact O-N 3.36Å; F671-G675 PolarHBondContact O-N 3.24Å
672	Y	97.6	Very high	96.6	Very high	81 Å²	81	70.4 Å²	70.4	32%	0.318	35%	0.345	S	S	.	.	H	α-helix	trans	-65.3	-44.9	174.1	-165.1	-94.8	0	0	0	112	L662 N665 N668 Y670 E674 G675 L676	L662-Y672 HydrophobicContact CB-CE2 4.09Å; L662-Y672 HydrophobicContact CD2-CD1 4.5Å; L662-Y672 HydrophobicContact CD2-CD2 3.94Å; L662-Y672 HydrophobicContact CD2-CE1 4.42Å; L662-Y672 HydrophobicContact CD2-CE2 3.84Å; L662-Y672 HydrophobicContact CD2-CG 4.27Å; L662-Y672 WeakPolarHBondContact O-CE2 3.25Å; N665-Y672 WeakPolarHBondContact O-CB 3.3Å; N668-Y672 VanDerWaalsContact O-CB 3.25Å; N668-Y672 WeakPolarHBondContact O-CB 3.46Å; N668-Y672 PolarHBondContact O-N 3.17Å; Y670-Y672 VanDerWaalsContact C-N 3.29Å; Y670-Y672 PolarHBondContact O-N 2.9Å; Y672-E674 VanDerWaalsContact C-N 3.27Å; Y672-E674 PolarHBondContact O-N 3.37Å; Y672-G675 PolarHBondContact O-N 3.42Å; Y672-L676 HydrophobicContact CD1-CD1 3.91Å; Y672-L676 HydrophobicContact CD1-CG 4.24Å; Y672-L676 HydrophobicContact CE1-CD1 3.73Å; Y672-L676 HydrophobicContact CE1-CD2 4.46Å; Y672-L676 HydrophobicContact CE1-CG 4.09Å; Y672-L676 WeakPolarHBondContact O-CG 3.43Å; Y672-L676 PolarHBondContact O-N 3.24Å
673	S	97.4	Very high	96.6	Very high	45 Å²	45	70.5 Å²	70.5	32%	0.315	35%	0.35	S	S	.	.	H	α-helix	trans	-61.9	-38.4	175	-61.8	0	0	0	0	111.3	H669 Y670 L676 R677	H669-S673 PolarHBondContact CE1-OG 3.48Å; H669-S673 VanDerWaalsContact CE1-OG 3.28Å; H669-S673 PolarHBondContact ND1-OG 3.47Å; H669-S673 WeakPolarHBondContact O-CB 3.31Å; H669-S673 PolarHBondContact O-N 3.4Å; H669-S673 PolarHBondContact O-OG 2.92Å; Y670-S673 PolarHBondContact O-N 3.42Å; S673-L676 PolarHBondContact O-N 3.44Å; S673-R677 WeakPolarHBondContact O-CB 3.15Å; S673-R677 PolarHBondContact O-N 2.88Å
674	E	97.6	Very high	96.7	Very high	13 Å²	13	68.7 Å²	68.7	6%	0.061	34%	0.343	C	S	.	.	H	α-helix	trans	-69.1	-39.2	176.9	-167.5	48.1	-140.2	0	0	112.1	V609 F610 Y670 F671 Y672 L676 R677 M678	V609-E674 HydrophobicContact CB-CG 3.93Å; V609-E674 HydrophobicContact CG1-CG 4.11Å; V609-E674 HydrophobicContact CG2-CG 3.83Å; F610-E674 HydrophobicContact CE2-CG 3.95Å; Y670-E674 WeakPolarHBondContact O-CB 3.25Å; Y670-E674 PolarHBondContact O-N 3.19Å; F671-E674 PolarHBondContact O-N 3.36Å; Y672-E674 VanDerWaalsContact C-N 3.27Å; Y672-E674 PolarHBondContact O-N 3.37Å; E674-L676 VanDerWaalsContact C-N 3.34Å; E674-L676 PolarHBondContact O-N 3.15Å; E674-R677 VanDerWaalsContact CD-NE 3.31Å; E674-R677 VanDerWaalsContact CD-NH2 3.26Å; E674-R677 PolarHBondContact O-N 3.23Å; E674-R677 IonicContact OE1-CZ 3.5Å; E674-R677 VanDerWaalsContact OE1-CZ 3.26Å; E674-R677 IonicContact OE1-NE 3.03Å; E674-R677 PolarHBondContact OE1-NE 3.11Å; E674-R677 IonicContact OE1-NH2 2.97Å; E674-R677 PolarHBondContact OE1-NH2 2.94Å; E674-R677 IonicContact OE2-CZ 3.25Å; E674-R677 IonicContact OE2-NE 2.98Å; E674-R677 PolarHBondContact OE2-NE 3.07Å; E674-R677 IonicContact OE2-NH2 2.69Å; E674-R677 PolarHBondContact OE2-NH2 3.22Å; E674-M678 WeakPolarHBondContact O-CB 3.49Å; E674-M678 PolarHBondContact O-N 3.47Å
675	G	98	Very high	96.7	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-54.2	-46.1	166.4	0	0	0	0	0	113.1	F671 Y672 K679	F671-G675 PolarHBondContact O-N 3.24Å; Y672-G675 PolarHBondContact O-N 3.42Å; G675-K679 VanDerWaalsContact O-CB 3.31Å; G675-K679 WeakPolarHBondContact O-CB 3.41Å; G675-K679 PolarHBondContact O-N 3.03Å
676	L	98.1	Very high	96.9	Very high	83 Å²	83	66.8 Å²	66.8	44%	0.435	33%	0.334	S	S	.	.	H	α-helix	trans	-67.3	-38.9	177	-70.1	177.2	0	0	0	112.3	L662 Y672 S673 E674 K679 K680	L662-L676 HydrophobicContact CD1-CD2 4.41Å; L662-L676 HydrophobicContact CD2-CD2 3.92Å; L662-L676 HydrophobicContact CD2-CG 3.93Å; Y672-L676 HydrophobicContact CD1-CD1 3.91Å; Y672-L676 HydrophobicContact CD1-CG 4.24Å; Y672-L676 HydrophobicContact CE1-CD1 3.73Å; Y672-L676 HydrophobicContact CE1-CD2 4.46Å; Y672-L676 HydrophobicContact CE1-CG 4.09Å; Y672-L676 WeakPolarHBondContact O-CG 3.43Å; Y672-L676 PolarHBondContact O-N 3.24Å; S673-L676 PolarHBondContact O-N 3.44Å; E674-L676 VanDerWaalsContact C-N 3.34Å; E674-L676 PolarHBondContact O-N 3.15Å; L676-K679 PolarHBondContact O-N 2.98Å; L676-K680 WeakPolarHBondContact O-CB 3.47Å; L676-K680 PolarHBondContact O-N 3.35Å
677	R	97.9	Very high	97.1	Very high	70 Å²	70	65.4 Å²	65.4	26%	0.264	33%	0.328	S	S	.	.	H	α-helix	trans	-63.4	-50.1	176.3	-172.1	177.3	76.1	132.7	-4.7	110.9	V604 E606 S673 E674 K679 K680 E681	V604-R677 VanDerWaalsContact O-CZ 3.32Å; V604-R677 PolarHBondContact O-NH2 2.79Å; E606-R677 IonicContact OE2-CZ 2.73Å; E606-R677 IonicContact OE2-NH1 2.85Å; E606-R677 PolarHBondContact OE2-NH1 3.09Å; E606-R677 IonicContact OE2-NH2 2.74Å; S673-R677 WeakPolarHBondContact O-CB 3.15Å; S673-R677 PolarHBondContact O-N 2.88Å; E674-R677 VanDerWaalsContact CD-NE 3.31Å; E674-R677 VanDerWaalsContact CD-NH2 3.26Å; E674-R677 PolarHBondContact O-N 3.23Å; E674-R677 IonicContact OE1-CZ 3.5Å; E674-R677 VanDerWaalsContact OE1-CZ 3.26Å; E674-R677 IonicContact OE1-NE 3.03Å; E674-R677 PolarHBondContact OE1-NE 3.11Å; E674-R677 IonicContact OE1-NH2 2.97Å; E674-R677 PolarHBondContact OE1-NH2 2.94Å; E674-R677 IonicContact OE2-CZ 3.25Å; E674-R677 IonicContact OE2-NE 2.98Å; E674-R677 PolarHBondContact OE2-NE 3.07Å; E674-R677 IonicContact OE2-NH2 2.69Å; E674-R677 PolarHBondContact OE2-NH2 3.22Å; R677-K679 PolarHBondContact O-N 3Å; R677-K680 PolarHBondContact O-N 3.03Å; R677-K680 VanDerWaalsContact O-N 3.17Å; R677-E681 PolarHBondContact O-N 2.62Å
678	M	98.4	Very high	97.5	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	31%	0.309	C	S	.	.	I	π-helix	trans	-60.5	-43.9	176.4	-176.7	56.9	76.4	0	0	111.3	L601 V604 D605 F610 F654 M657 V658 E674 K680 G682 G683	L601-M678 HydrophobicContact CD2-SD 4.37Å; V604-M678 HydrophobicContact CB-CE 4.15Å; V604-M678 HydrophobicContact CB-SD 4.29Å; V604-M678 HydrophobicContact CG1-CE 3.99Å; V604-M678 HydrophobicContact CG1-SD 3.91Å; D605-M678 HydrophobicContact CB-CE 3.66Å; F610-M678 HydrophobicContact CD2-CB 4.24Å; F610-M678 HydrophobicContact CD2-CE 3.49Å; F610-M678 VanDerWaalsContact CD2-CE 3.49Å; F610-M678 HydrophobicContact CD2-CG 4.08Å; F610-M678 HydrophobicContact CE2-CB 3.5Å; F610-M678 VanDerWaalsContact CE2-CB 3.5Å; F610-M678 HydrophobicContact CE2-CE 3.92Å; F610-M678 HydrophobicContact CE2-CG 3.8Å; F610-M678 HydrophobicContact CG-CE 4.24Å; F610-M678 HydrophobicContact CZ-CB 3.73Å; F610-M678 HydrophobicContact CZ-CG 4.05Å; F654-M678 HydrophobicContact CE2-CG 4.01Å; F654-M678 HydrophobicContact CE2-SD 3.92Å; F654-M678 HydrophobicContact CZ-CG 4.3Å; F654-M678 HydrophobicContact CZ-SD 4.48Å; M657-M678 HydrophobicContact CE-CG 4.27Å; V658-M678 HydrophobicContact CG2-CB 4.41Å; V658-M678 HydrophobicContact CG2-CG 3.84Å; E674-M678 WeakPolarHBondContact O-CB 3.49Å; E674-M678 PolarHBondContact O-N 3.47Å; M678-K680 VanDerWaalsContact C-N 3.29Å; M678-K680 PolarHBondContact O-N 3.15Å; M678-G682 WeakPolarHBondContact O-CA 3.49Å; M678-G682 PolarHBondContact O-N 2.72Å; M678-G683 PolarHBondContact O-N 3.47Å
679	K	98.5	Very high	97.5	Very high	103 Å²	103	64.4 Å²	64.4	45%	0.448	29%	0.293	S	S	.	.	I	π-helix	trans	-55.3	-44.5	174.3	-168.8	166.4	-179.3	163.7	0	112.2	V658 L662 G675 L676 R677 G683	V658-K679 HydrophobicContact CG1-CB 3.58Å; V658-K679 HydrophobicContact CG1-CD 4Å; V658-K679 HydrophobicContact CG1-CG 3.9Å; L662-K679 HydrophobicContact CD1-CD 4.06Å; G675-K679 VanDerWaalsContact O-CB 3.31Å; G675-K679 WeakPolarHBondContact O-CB 3.41Å; G675-K679 PolarHBondContact O-N 3.03Å; L676-K679 PolarHBondContact O-N 2.98Å; R677-K679 PolarHBondContact O-N 3Å; K679-G683 WeakPolarHBondContact O-CA 3.45Å; K679-G683 PolarHBondContact O-N 3.12Å
680	K	98.2	Very high	97.6	Very high	137 Å²	137	58.2 Å²	58.2	60%	0.596	27%	0.266	S	S	*	.	I	π-helix	trans	-76.1	-54	-176.1	-177.3	-177.7	174.8	-176.7	0	112.5	L676 R677 M678 K684	L676-K680 WeakPolarHBondContact O-CB 3.47Å; L676-K680 PolarHBondContact O-N 3.35Å; R677-K680 PolarHBondContact O-N 3.03Å; R677-K680 VanDerWaalsContact O-N 3.17Å; M678-K680 VanDerWaalsContact C-N 3.29Å; M678-K680 PolarHBondContact O-N 3.15Å; K680-K684 WeakPolarHBondContact O-CG 3.49Å
681	E	98.1	Very high	97.4	Very high	68 Å²	68	57.4 Å²	57.4	32%	0.318	27%	0.272	S	S	.	.	I	π-helix	trans	-83.2	-43.4	-174.1	-62.2	-53.9	137.6	0	0	111.8	V604 R677 G683 K684 I685	V604-E681 HydrophobicContact CG1-CB 3.92Å; V604-E681 HydrophobicContact CG2-CB 4.45Å; R677-E681 PolarHBondContact O-N 2.62Å; E681-G683 VanDerWaalsContact C-N 3.35Å; E681-K684 WeakPolarHBondContact O-CB 3.37Å; E681-K684 PolarHBondContact O-N 3.38Å; E681-K684 IonicContact OE1-NZ 3.9Å; E681-K684 PolarHBondContact OE1-NZ 3.16Å; E681-K684 IonicContact OE2-NZ 3.93Å; E681-K684 PolarHBondContact OE2-NZ 2.88Å; E681-I685 PolarHBondContact O-N 2.94Å
682	G	98.5	Very high	97.2	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.275	C	S	.	.	I	π-helix	trans	-63	-39.3	171.5	0	0	0	0	0	112.3	M678 K684 I685 I686	M678-G682 WeakPolarHBondContact O-CA 3.49Å; M678-G682 PolarHBondContact O-N 2.72Å; G682-K684 VanDerWaalsContact C-N 3.27Å; G682-K684 PolarHBondContact O-N 3.18Å; G682-I685 WeakPolarHBondContact O-CA 3.33Å; G682-I685 WeakPolarHBondContact O-CB 3.29Å; G682-I685 PolarHBondContact O-N 3.37Å; G682-I686 PolarHBondContact O-N 3.35Å
683	G	98.2	Very high	96.9	Very high	22 Å²	22	54.5 Å²	54.5	23%	0.227	26%	0.263	C	S	.	.	H	α-helix	trans	-58	-35.6	175.2	0	0	0	0	0	113.7	M678 K679 E681 I685 I686 Q687	M678-G683 PolarHBondContact O-N 3.47Å; K679-G683 WeakPolarHBondContact O-CA 3.45Å; K679-G683 PolarHBondContact O-N 3.12Å; E681-G683 VanDerWaalsContact C-N 3.35Å; G683-I685 VanDerWaalsContact C-N 3.32Å; G683-I685 PolarHBondContact O-N 3.42Å; G683-I686 PolarHBondContact O-N 3.47Å; G683-Q687 WeakPolarHBondContact O-CB 3.31Å; G683-Q687 PolarHBondContact O-N 2.89Å
684	K	98.5	Very high	96.4	Very high	91 Å²	91	59 Å²	59	40%	0.396	28%	0.277	S	S	.	.	H	α-helix	trans	-67.4	-31.6	173.2	-65.7	170.9	-160	164.7	0	112.6	K680 E681 G682 R688	K680-K684 WeakPolarHBondContact O-CG 3.49Å; E681-K684 WeakPolarHBondContact O-CB 3.37Å; E681-K684 PolarHBondContact O-N 3.38Å; E681-K684 IonicContact OE1-NZ 3.9Å; E681-K684 PolarHBondContact OE1-NZ 3.16Å; E681-K684 IonicContact OE2-NZ 3.93Å; E681-K684 PolarHBondContact OE2-NZ 2.88Å; G682-K684 VanDerWaalsContact C-N 3.27Å; G682-K684 PolarHBondContact O-N 3.18Å; K684-R688 WeakPolarHBondContact O-CB 3.23Å; K684-R688 VanDerWaalsContact O-CG 3.29Å; K684-R688 WeakPolarHBondContact O-CG 3.37Å; K684-R688 PolarHBondContact O-N 2.96Å; K684-R688 PolarHBondContact O-NE 2.84Å
685	I	98.4	Very high	95.9	Very high	10 Å²	10	65.7 Å²	65.7	5%	0.051	31%	0.305	C	S	.	.	H	α-helix	trans	-69.2	-49.4	174.9	-65.1	164	0	0	0	109	V597 Q600 L601 V604 E681 G682 G683 Q687 R688 A689	V597-I685 HydrophobicContact CG1-CG2 4.03Å; Q600-I685 HydrophobicContact CB-CD1 3.98Å; Q600-I685 HydrophobicContact CB-CG1 4.44Å; Q600-I685 HydrophobicContact CB-CG2 3.88Å; L601-I685 HydrophobicContact CD2-CB 4.23Å; L601-I685 HydrophobicContact CD2-CD1 4.05Å; L601-I685 HydrophobicContact CD2-CG2 4.33Å; L601-I685 HydrophobicContact CG-CG2 4.46Å; V604-I685 HydrophobicContact CG2-CD1 3.52Å; E681-I685 PolarHBondContact O-N 2.94Å; G682-I685 WeakPolarHBondContact O-CA 3.33Å; G682-I685 WeakPolarHBondContact O-CB 3.29Å; G682-I685 PolarHBondContact O-N 3.37Å; G683-I685 VanDerWaalsContact C-N 3.32Å; G683-I685 PolarHBondContact O-N 3.42Å; I685-Q687 PolarHBondContact O-N 3.26Å; I685-R688 VanDerWaalsContact CG1-NH2 3.27Å; I685-R688 PolarHBondContact O-N 3.04Å; I685-A689 PolarHBondContact O-N 3.28Å
686	I	98.1	Very high	95.1	Very high	16 Å²	16	72.7 Å²	72.7	8%	0.082	33%	0.333	C	S	.	.	H	α-helix	trans	-58.6	-47.7	177.8	-61.7	-59.4	0	0	0	111.4	V597 L601 F650 A651 F654 G682 G683 R688 A689 V690	V597-I686 HydrophobicContact CG1-CD1 4.17Å; L601-I686 HydrophobicContact CD1-CD1 4.12Å; F650-I686 HydrophobicContact CD1-CD1 3.96Å; F650-I686 HydrophobicContact CE1-CD1 3.52Å; A651-I686 HydrophobicContact CB-CG2 3.6Å; F654-I686 HydrophobicContact CB-CD1 4.05Å; F654-I686 HydrophobicContact CB-CG1 4.23Å; F654-I686 HydrophobicContact CD1-CD1 4.34Å; F654-I686 HydrophobicContact CD1-CG1 3.6Å; F654-I686 HydrophobicContact CD2-CD1 4.19Å; F654-I686 HydrophobicContact CD2-CG1 4.04Å; F654-I686 HydrophobicContact CE1-CG1 3.89Å; F654-I686 HydrophobicContact CE2-CG1 4.32Å; F654-I686 HydrophobicContact CG-CD1 3.92Å; F654-I686 HydrophobicContact CG-CG1 3.67Å; F654-I686 HydrophobicContact CZ-CG1 4.24Å; G682-I686 PolarHBondContact O-N 3.35Å; G683-I686 PolarHBondContact O-N 3.47Å; I686-R688 VanDerWaalsContact C-N 3.31Å; I686-R688 PolarHBondContact O-N 2.52Å; I686-A689 WeakPolarHBondContact O-CB 3.45Å; I686-A689 PolarHBondContact O-N 2.73Å; I686-A689 VanDerWaalsContact O-N 3.08Å; I686-V690 HydrophobicContact CG2-CG2 4.34Å; I686-V690 WeakPolarHBondContact O-CG2 3.42Å; I686-V690 PolarHBondContact O-N 2.9Å
687	Q	97	Very high	94	Very high	138 Å²	138	74.5 Å²	74.5	65%	0.645	34%	0.343	S	S	*	.	H	α-helix	trans	-61.1	-41	179.6	-170.8	178.9	18.2	0	0	112	G683 I685 A689 V690 V691	G683-Q687 WeakPolarHBondContact O-CB 3.31Å; G683-Q687 PolarHBondContact O-N 2.89Å; I685-Q687 PolarHBondContact O-N 3.26Å; Q687-A689 VanDerWaalsContact C-N 3.35Å; Q687-V690 PolarHBondContact O-N 3.25Å; Q687-V691 WeakPolarHBondContact O-CG2 3.45Å; Q687-V691 PolarHBondContact O-N 3.09Å; Q687-V691 VanDerWaalsContact O-N 3.15Å
688	R	96.9	Very high	92.7	Very high	129 Å²	129	72.7 Å²	72.7	49%	0.487	34%	0.338	S	S	.	.	H	α-helix	trans	-63.5	-41.2	173.8	-77.4	-177.6	-70.5	144.7	-5.7	111.6	K684 I685 I686 V691 Q692	K684-R688 WeakPolarHBondContact O-CB 3.23Å; K684-R688 VanDerWaalsContact O-CG 3.29Å; K684-R688 WeakPolarHBondContact O-CG 3.37Å; K684-R688 PolarHBondContact O-N 2.96Å; K684-R688 PolarHBondContact O-NE 2.84Å; I685-R688 VanDerWaalsContact CG1-NH2 3.27Å; I685-R688 PolarHBondContact O-N 3.04Å; I686-R688 VanDerWaalsContact C-N 3.31Å; I686-R688 PolarHBondContact O-N 2.52Å; R688-V691 PolarHBondContact O-N 3.48Å; R688-Q692 WeakPolarHBondContact O-CB 3.24Å; R688-Q692 WeakPolarHBondContact O-CG 3.39Å; R688-Q692 PolarHBondContact O-N 3.32Å
689	A	95.9	Very high	91.2	Very high	2 Å²	2	76.5 Å²	76.5	2%	0.017	36%	0.361	C	S	.	.	H	α-helix	trans	-62.7	-45.1	177.7	0	0	0	0	0	111.8	F593 V597 V647 I685 I686 Q687 V691 Q692 F693	F593-A689 HydrophobicContact CE1-CB 4.18Å; F593-A689 HydrophobicContact CZ-CB 3.97Å; F593-A689 WeakPolarHBondContact CZ-O 3.23Å; V597-A689 HydrophobicContact CG1-CB 4.26Å; V597-A689 HydrophobicContact CG2-CB 3.64Å; V647-A689 HydrophobicContact CG2-CB 4.17Å; I685-A689 PolarHBondContact O-N 3.28Å; I686-A689 WeakPolarHBondContact O-CB 3.45Å; I686-A689 PolarHBondContact O-N 2.73Å; I686-A689 VanDerWaalsContact O-N 3.08Å; Q687-A689 VanDerWaalsContact C-N 3.35Å; A689-V691 VanDerWaalsContact C-N 3.32Å; A689-V691 PolarHBondContact O-N 3.24Å; A689-Q692 PolarHBondContact O-N 2.89Å; A689-F693 WeakPolarHBondContact O-CB 3.38Å; A689-F693 PolarHBondContact O-N 2.63Å
690	V	94.7	Very high	89.4	Confident	27 Å²	27	74.2 Å²	74.2	16%	0.164	36%	0.357	C	S	.	.	H	α-helix	trans	-59.1	-43.5	176.6	173.4	0	0	0	0	111.3	V647 I686 Q687 K694	V647-V690 HydrophobicContact CG1-CB 4.4Å; V647-V690 HydrophobicContact CG1-CG2 4.1Å; V647-V690 HydrophobicContact CG2-CG2 4Å; I686-V690 HydrophobicContact CG2-CG2 4.34Å; I686-V690 WeakPolarHBondContact O-CG2 3.42Å; I686-V690 PolarHBondContact O-N 2.9Å; Q687-V690 PolarHBondContact O-N 3.25Å; V690-K694 HydrophobicContact CG1-CD 4.32Å; V690-K694 WeakPolarHBondContact O-CG 3.44Å; V690-K694 PolarHBondContact O-N 3.38Å
691	V	93.7	Very high	87.4	Confident	93 Å²	93	76.4 Å²	76.4	56%	0.564	37%	0.374	S	S	*	.	H	α-helix	trans	-66.6	-43.4	177.3	173.1	0	0	0	0	111.7	Q687 R688 A689 K695	Q687-V691 WeakPolarHBondContact O-CG2 3.45Å; Q687-V691 PolarHBondContact O-N 3.09Å; Q687-V691 VanDerWaalsContact O-N 3.15Å; R688-V691 PolarHBondContact O-N 3.48Å; A689-V691 VanDerWaalsContact C-N 3.32Å; A689-V691 PolarHBondContact O-N 3.24Å; V691-K695 WeakPolarHBondContact O-CB 3.19Å; V691-K695 PolarHBondContact O-N 3.38Å; V691-K695 VanDerWaalsContact O-N 3.07Å
692	Q	92.5	Very high	85.3	Confident	84 Å²	84	79.8 Å²	79.8	39%	0.393	39%	0.394	S	S	.	.	H	α-helix	trans	-64.9	-45.1	178.8	-76.8	177.7	-8.4	0	0	111.8	F593 R688 A689 K694 K695 Y696	F593-Q692 HydrophobicContact CE2-CB 4.1Å; F593-Q692 HydrophobicContact CZ-CB 4Å; R688-Q692 WeakPolarHBondContact O-CB 3.24Å; R688-Q692 WeakPolarHBondContact O-CG 3.39Å; R688-Q692 PolarHBondContact O-N 3.32Å; A689-Q692 PolarHBondContact O-N 2.89Å; Q692-K694 PolarHBondContact O-N 2.92Å; Q692-K695 WeakPolarHBondContact O-CB 3.46Å; Q692-K695 PolarHBondContact O-N 2.82Å; Q692-K695 VanDerWaalsContact O-N 3.11Å; Q692-Y696 HydrophobicContact CB-CD2 4.44Å; Q692-Y696 WeakPolarHBondContact O-CD2 3.19Å; Q692-Y696 PolarHBondContact O-N 3.49Å
693	F	90.1	Very high	82.7	Confident	14 Å²	14	86 Å²	86	6%	0.061	43%	0.427	C	S	.	.	H	α-helix	trans	-57.5	-47.6	178.9	-172.5	-88.7	0	0	0	111.7	I590 F593 D646 V647 A689 K695 Y696 D697 M698	I590-F693 HydrophobicContact CD1-CE2 3.63Å; I590-F693 HydrophobicContact CD1-CZ 3.62Å; I590-F693 HydrophobicContact CG1-CE2 3.81Å; I590-F693 HydrophobicContact CG1-CZ 4.28Å; I590-F693 HydrophobicContact CG2-CE2 4.37Å; F593-F693 HydrophobicContact CD1-CD2 4.1Å; F593-F693 HydrophobicContact CE1-CB 4.04Å; F593-F693 HydrophobicContact CE1-CD2 4.06Å; F593-F693 HydrophobicContact CZ-CB 4.4Å; D646-F693 HydrophobicContact CB-CE1 4.32Å; D646-F693 HydrophobicContact CB-CZ 4.31Å; V647-F693 HydrophobicContact CB-CB 4.04Å; V647-F693 HydrophobicContact CB-CD1 4.29Å; V647-F693 HydrophobicContact CB-CD2 4.06Å; V647-F693 HydrophobicContact CB-CG 3.87Å; V647-F693 HydrophobicContact CG1-CB 3.74Å; V647-F693 HydrophobicContact CG1-CD1 3.73Å; V647-F693 HydrophobicContact CG1-CD2 4.37Å; V647-F693 HydrophobicContact CG1-CE1 4.44Å; V647-F693 HydrophobicContact CG1-CG 3.69Å; V647-F693 HydrophobicContact CG2-CB 4.48Å; A689-F693 WeakPolarHBondContact O-CB 3.38Å; A689-F693 PolarHBondContact O-N 2.63Å; F693-K695 VanDerWaalsContact C-N 3.3Å; F693-K695 PolarHBondContact O-N 3.39Å; F693-Y696 PolarHBondContact O-N 3.38Å; F693-D697 PolarHBondContact O-N 3.15Å; F693-D697 VanDerWaalsContact O-N 3.12Å; F693-M698 HydrophobicContact CD2-CB 3.95Å; F693-M698 HydrophobicContact CE2-CB 3.79Å; F693-M698 HydrophobicContact CZ-CB 4.37Å
694	K	87.7	Confident	80.1	Confident	139 Å²	139	90.5 Å²	90.5	60%	0.604	46%	0.455	S	S	*	.	H	α-helix	trans	-65.2	-31.9	176.9	-70.3	178.2	-178.4	177.4	0	113	V690 Q692	V690-K694 HydrophobicContact CG1-CD 4.32Å; V690-K694 WeakPolarHBondContact O-CG 3.44Å; V690-K694 PolarHBondContact O-N 3.38Å; Q692-K694 PolarHBondContact O-N 2.92Å
695	K	87	Confident	77.4	Confident	153 Å²	153	89.7 Å²	89.7	67%	0.665	46%	0.461	S	S	*	.	H	α-helix	trans	-72.2	-37.9	178.9	-178	-178.9	177.4	-174.2	0	112.8	V691 Q692 F693	V691-K695 WeakPolarHBondContact O-CB 3.19Å; V691-K695 PolarHBondContact O-N 3.38Å; V691-K695 VanDerWaalsContact O-N 3.07Å; Q692-K695 WeakPolarHBondContact O-CB 3.46Å; Q692-K695 PolarHBondContact O-N 2.82Å; Q692-K695 VanDerWaalsContact O-N 3.11Å; F693-K695 VanDerWaalsContact C-N 3.3Å; F693-K695 PolarHBondContact O-N 3.39Å
696	Y	81.6	Confident	74.5	Confident	148 Å²	148	96.6 Å²	96.6	58%	0.58	50%	0.498	S	S	*	.	H	α-helix	trans	-97	-1.6	-174.8	-67.4	-68	0	0	0	114	Q692 F693 M698	Q692-Y696 HydrophobicContact CB-CD2 4.44Å; Q692-Y696 WeakPolarHBondContact O-CD2 3.19Å; Q692-Y696 PolarHBondContact O-N 3.49Å; F693-Y696 PolarHBondContact O-N 3.38Å; Y696-M698 PolarHBondContact O-N 3.29Å
697	D	73.6	Confident	71.7	Confident	121 Å²	121	105.1 Å²	105.1	65%	0.647	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.8	60.2	-177	-165.6	13.6	0	0	0	112.1	F693 T699	F693-D697 PolarHBondContact O-N 3.15Å; F693-D697 VanDerWaalsContact O-N 3.12Å; D697-T699 PolarHBondContact O-N 3.27Å; D697-T699 PolarHBondContact OD1-OG1 3.06Å
698	M	72	Confident	68.8	Low	32 Å²	32	103 Å²	103	16%	0.158	54%	0.538	C	S	.	.			trans	-79.5	11	-177.8	-64.6	-72.9	-91.5	0	0	112.5	P589 I590 F693 Y696	P589-M698 HydrophobicContact CB-CE 3.3Å; P589-M698 HydrophobicContact CB-SD 3.87Å; I590-M698 WeakPolarHBondContact CD1-O 3.34Å; I590-M698 WeakPolarHBondContact CG1-O 3.23Å; F693-M698 HydrophobicContact CD2-CB 3.95Å; F693-M698 HydrophobicContact CE2-CB 3.79Å; F693-M698 HydrophobicContact CZ-CB 4.37Å; Y696-M698 PolarHBondContact O-N 3.29Å
699	T	66.6	Low	65.8	Low	79 Å²	79	104.2 Å²	104.2	49%	0.485	55%	0.554	S	S	.	*			trans	-56	129.4	176.9	-37.5	0	0	0	0	108.5	D697 L701	D697-T699 PolarHBondContact O-N 3.27Å; D697-T699 PolarHBondContact OD1-OG1 3.06Å; T699-L701 PolarHBondContact O-N 2.93Å
700	P	60.4	Low	63.1	Low	56 Å²	56	111.3 Å²	111.3	36%	0.364	60%	0.597	S	S	.	*			trans	-62.9	133.2	-179.5	-16	33.3	0	0	0	107.7	I590 L702	I590-P700 VanDerWaalsContact CD1-CD 3.5Å; I590-P700 HydrophobicContact CD1-CG 3.63Å; I590-P700 HydrophobicContact CG1-CG 4.28Å; P700-L702 HydrophobicContact CB-CG 4.44Å; P700-L702 PolarHBondContact O-N 3.4Å
701	L	55.5	Low	60.1	Low	182 Å²	182	117 Å²	117	95%	0.953	63%	0.626	S	S	*	*			trans	-66.7	75.2	165.3	-72.6	168.6	0	0	0	107.9	T699 D703	T699-L701 PolarHBondContact O-N 2.93Å; L701-D703 PolarHBondContact O-N 3.35Å
702	L	54.2	Low	57	Low	139 Å²	139	117.5 Å²	117.5	73%	0.728	63%	0.634	S	S	*	*			trans	-72.6	103.5	158.4	-71.6	167.7	0	0	0	104.5	P700 S704	P700-L702 HydrophobicContact CB-CG 4.44Å; P700-L702 PolarHBondContact O-N 3.4Å; L702-S704 PolarHBondContact O-N 3.32Å
703	D	43.5	Very low	54.1	Low	132 Å²	132	118.4 Å²	118.4	71%	0.706	65%	0.65	S	S	*	*			trans	-56.4	102	170.7	-168.6	1.7	0	0	0	107.9	L701 S705	L701-D703 PolarHBondContact O-N 3.35Å; D703-S705 PolarHBondContact O-N 2.92Å; D703-S705 VanDerWaalsContact OD1-CB 3.22Å; D703-S705 WeakPolarHBondContact OD1-CB 3.45Å; D703-S705 PolarHBondContact OD1-N 2.72Å; D703-S705 PolarHBondContact OD1-OG 2.92Å
704	S	43.8	Very low	51.2	Low	115 Å²	115	127 Å²	127	80%	0.804	69%	0.69	S	S	*	*			trans	-85.6	24.4	176.9	63.2	0	0	0	0	111.5	L702	L702-S704 PolarHBondContact O-N 3.32Å
705	S	42.7	Very low	48.2	Very low	75 Å²	75	123.7 Å²	123.7	52%	0.524	70%	0.695	S	S	.	*			trans	-114.6	70.6	-176.7	-19	0	0	0	0	109.6	D703	D703-S705 PolarHBondContact O-N 2.92Å; D703-S705 VanDerWaalsContact OD1-CB 3.22Å; D703-S705 WeakPolarHBondContact OD1-CB 3.45Å; D703-S705 PolarHBondContact OD1-N 2.72Å; D703-S705 PolarHBondContact OD1-OG 2.92Å
706	D	37.7	Very low	45.2	Very low	154 Å²	154	126.3 Å²	126.3	82%	0.824	71%	0.707	S	S	*	*			trans	-175.6	53.1	151.5	-90.9	-16.4	0	0	0	109.1
707	E	37.9	Very low	42.5	Very low	195 Å²	195	128.3 Å²	128.3	91%	0.911	72%	0.724	S	S	*	*			trans	-124.6	60.3	165.4	-75.4	-82.3	170.7	0	0	107.6
708	S	37.8	Very low	40.3	Very low	95 Å²	95	130 Å²	130	66%	0.664	73%	0.733	S	S	*	*			trans	-135.4	128.6	159.5	57.2	0	0	0	0	108
709	D	32.7	Very low	38	Very low	154 Å²	154	137.2 Å²	137.2	82%	0.824	76%	0.764	S	S	*	*			trans	99.5	62	172.2	-50	-19.8	0	0	0	116.5
710	V	39.6	Very low	35.9	Very low	151 Å²	151	141.2 Å²	141.2	92%	0.915	78%	0.781	S	S	*	*			trans	-133.3	88.5	140.9	-159.4	0	0	0	0	109.3
711	D	32.3	Very low	34.2	Very low	145 Å²	145	146 Å²	146	78%	0.775	80%	0.799	S	S	*	*			trans	-62.8	147.1	168.8	-171.6	16.4	0	0	0	110.9	S713	D711-S713 PolarHBondContact O-N 2.94Å
712	S	28.8	Very low	32.7	Very low	104 Å²	104	149 Å²	149	73%	0.727	80%	0.797	S	S	*	*			trans	-73.7	112.2	-174.6	-64.4	0	0	0	0	111.3
713	S	31.3	Very low	31	Very low	104 Å²	104	151.9 Å²	151.9	73%	0.727	80%	0.804	S	S	*	*			trans	-166.4	128	145.6	0.2	0	0	0	0	113.8	D711	D711-S713 PolarHBondContact O-N 2.94Å
714	E	27.9	Very low	30	Very low	195 Å²	195	151.2 Å²	151.2	91%	0.911	81%	0.808	S	S	*	*			trans	75.8	112.5	148.6	-58.4	-166.2	158.1	0	0	120.5
715	G	25.5	Very low	29	Very low	69 Å²	69	150.7 Å²	150.7	71%	0.711	81%	0.805	S	S	*	*				117.1	87.6	106.4	0	0	0	0	0	117.4
716	K	24.4	Very low	28	Very low	208 Å²	208	152.6 Å²	152.6	90%	0.904	82%	0.818	S	S	*	*			trans	48.1	111.1	136.8	-63.8	175.2	179.2	171.1	0	117.9
717	M	25.1	Very low	27.3	Very low	190 Å²	190	155 Å²	155	94%	0.936	82%	0.824	S	S	*	*				-148.9	97.6	127.1	-138.8	170.1	67.4	0	0	110.9
718	N	26	Very low	26.7	Very low	157 Å²	157	149.7 Å²	149.7	84%	0.84	82%	0.822	S	S	*	*			trans	-70.1	133.1	171.9	-86.5	-15.1	0	0	0	110.6	L720	N718-L720 PolarHBondContact O-N 2.92Å
719	F	23.5	Very low	25.9	Very low	183 Å²	183	153 Å²	153	80%	0.803	83%	0.832	S	S	*	*			trans	-52.7	114.5	168.1	-172.6	-102.3	0	0	0	111	E721	F719-E721 HydrophobicContact CD1-CG 4.35Å; F719-E721 HydrophobicContact CE1-CG 3.87Å
720	L	24.4	Very low	25.6	Very low	162 Å²	162	150.4 Å²	150.4	85%	0.848	83%	0.826	S	S	*	*			trans	-115.5	115.2	163.4	-123.4	93.4	0	0	0	109.3	N718 R722	N718-L720 PolarHBondContact O-N 2.92Å; L720-R722 PolarHBondContact O-N 3.48Å
721	E	23.4	Very low	25.5	Very low	157 Å²	157	148 Å²	148	73%	0.734	81%	0.813	S	S	*	*			trans	-52.2	124.9	173.9	-63.8	175.1	141.9	0	0	111.8	F719	F719-E721 HydrophobicContact CD1-CG 4.35Å; F719-E721 HydrophobicContact CE1-CG 3.87Å
722	R	24	Very low	25.2	Very low	246 Å²	246	152.8 Å²	152.8	93%	0.928	82%	0.822	S	S	*	*			trans	-99.7	102.8	160.1	-85.1	-175.5	-163.8	160.1	7.4	109.8	L720	L720-R722 PolarHBondContact O-N 3.48Å
723	K	19.3	Very low	25	Very low	198 Å²	198	151.7 Å²	151.7	86%	0.861	82%	0.82	S	S	*	*			trans	-53.4	128.1	149.9	-77.6	173.2	173.3	172.3	0	110
724	C	21.7	Very low	24.5	Very low	118 Å²	118	152.9 Å²	152.9	80%	0.797	82%	0.823	S	S	*	*			trans	-150	96.9	148.2	-120.6	0	0	0	0	105.7
725	S	23.1	Very low	24.3	Very low	105 Å²	105	155.2 Å²	155.2	73%	0.734	82%	0.823	S	S	*	*				89.9	97.4	88.9	-66.8	0	0	0	0	110.3
726	S	20.8	Very low	24.1	Very low	115 Å²	115	156.9 Å²	156.9	80%	0.804	82%	0.824	S	S	*	*			trans	-38.9	129.9	155.7	49.3	0	0	0	0	113.6
727	E	24.7	Very low	24	Very low	203 Å²	203	155.6 Å²	155.6	95%	0.949	82%	0.823	S	S	*	*			trans	-148.8	135.7	148.6	-95.4	-173.1	-177.2	0	0	109.2
728	G	24.6	Very low	23.7	Very low	84 Å²	84	153.4 Å²	153.4	87%	0.866	82%	0.816	S	S	*	*			trans	120.2	72.3	160.4	0	0	0	0	0	115.1
729	N	21.1	Very low	23.6	Very low	164 Å²	164	151.3 Å²	151.3	88%	0.877	81%	0.813	S	S	*	*			trans	-77.6	158.9	174.7	-149.1	12.8	0	0	0	112.3
730	S	25.8	Very low	23.5	Very low	101 Å²	101	147.1 Å²	147.1	71%	0.706	81%	0.812	S	S	*	*			trans	95.5	155.6	148.6	-127.6	0	0	0	0	119.8
731	P	37.8	Very low	23.5	Very low	99 Å²	99	148.6 Å²	148.6	64%	0.643	82%	0.815	S	S	*	*				-137.1	148	-86.7	37.8	-19.9	0	0	0	112.8
732	Y	26.1	Very low	23.3	Very low	246 Å²	246	150.3 Å²	150.3	97%	0.965	82%	0.82	S	S	*	*			trans	-148.2	128.8	146.8	-107.6	-80.8	0	0	0	109.6
733	A	23.8	Very low	23.2	Very low	81 Å²	81	144.9 Å²	144.9	67%	0.669	82%	0.818	S	S	*	*			trans	-82.4	148.7	-164.1	0	0	0	0	0	112.6
734	T	21.3	Very low	23.3	Very low	129 Å²	129	142.5 Å²	142.5	79%	0.791	82%	0.815	S	S	*	*			trans	43.8	110.5	138.9	51.8	0	0	0	0	118.9
735	R	23.7	Very low	23.2	Very low	245 Å²	245	142.1 Å²	142.1	93%	0.925	81%	0.814	S	S	*	*				-144.4	107.2	127.6	-117.6	175.7	177.9	-175.5	-1.7	110.6
736	S	21.1	Very low	23.2	Very low	104 Å²	104	143.1 Å²	143.1	73%	0.727	82%	0.82	S	S	*	*			trans	-69.1	128	162.8	177.9	0	0	0	0	108.7
737	M	23.1	Very low	23.2	Very low	180 Å²	180	142.6 Å²	142.6	89%	0.887	82%	0.817	S	S	*	*			trans	-138.8	96.7	151.9	-70.5	-158	86.7	0	0	107.9
738	N	19.4	Very low	23	Very low	145 Å²	145	137.7 Å²	137.7	78%	0.775	81%	0.805	S	S	*	*			trans	-81.9	160.8	155.6	-94	-12.9	0	0	0	109.7
739	S	23	Very low	22.9	Very low	112 Å²	112	140.5 Å²	140.5	78%	0.783	81%	0.806	S	S	*	*			trans	88.3	97.6	167.8	-51.2	0	0	0	0	113.9
740	A	20.7	Very low	22.8	Very low	95 Å²	95	138.9 Å²	138.9	79%	0.785	80%	0.802	S	S	*	*				64.9	97.2	73.9	0	0	0	0	0	112.5
741	E	24.4	Very low	22.7	Very low	194 Å²	194	139.8 Å²	139.8	91%	0.907	81%	0.805	S	S	*	*			trans	-134.9	123.4	151.9	-85.8	-173.6	166.9	0	0	110.8
742	K	19.6	Very low	21.9	Very low	192 Å²	192	140.2 Å²	140.2	84%	0.835	81%	0.811	S	S	*	*			trans	-61	142.4	171.8	-72.4	163.6	170.2	171.6	0	110
743	C	22.9	Very low	21.7	Very low	133 Å²	133	139.8 Å²	139.8	90%	0.899	81%	0.809	S	S	*	*			trans	-130.6	110.2	152.1	-72.9	0	0	0	0	107.6
744	N	20.8	Very low	21.6	Very low	147 Å²	147	141.1 Å²	141.1	79%	0.786	81%	0.814	S	S	*	*			trans	-74.5	150.4	176.1	-92.6	-13.2	0	0	0	111.4
745	S	19	Very low	21.6	Very low	111 Å²	111	139.7 Å²	139.7	78%	0.776	82%	0.815	S	S	*	*			trans	-36.3	139.8	155.2	33.8	0	0	0	0	115.8
746	S	23.9	Very low	21.5	Very low	125 Å²	125	136.1 Å²	136.1	87%	0.874	81%	0.812	S	S	*	*			trans	-145.7	144	143.2	48.9	0	0	0	0	109.7
747	S	21.3	Very low	21.5	Very low	105 Å²	105	136 Å²	136	73%	0.734	81%	0.812	S	S	*	*			trans	-101.2	157.8	-157.6	43.5	0	0	0	0	113.3
748	S	19.4	Very low	21.4	Very low	100 Å²	100	132.4 Å²	132.4	70%	0.699	80%	0.804	S	S	*	*			trans	58.1	114.2	142	55.8	0	0	0	0	120
749	T	22.7	Very low	21.7	Very low	143 Å²	143	135 Å²	135	88%	0.877	81%	0.811	S	S	*	*				-151.4	116.4	126.5	-31.3	0	0	0	0	110.8
750	T	19.1	Very low	21.5	Very low	130 Å²	130	138.2 Å²	138.2	80%	0.798	82%	0.816	S	S	*	*			trans	-86	145.2	162.6	42.8	0	0	0	0	109.3
751	P	24	Very low	21.6	Very low	119 Å²	119	141 Å²	141	77%	0.773	82%	0.818	S	S	*	*			trans	-107.6	132.2	153.5	3.1	17.2	0	0	0	110.7
752	S	19.9	Very low	21.6	Very low	109 Å²	109	141.1 Å²	141.1	76%	0.762	82%	0.816	S	S	*	*			trans	-60.6	141.1	170.7	51.8	0	0	0	0	113.3
753	Y	22	Very low	21.6	Very low	237 Å²	237	138 Å²	138	93%	0.929	81%	0.812	S	S	*	*			trans	-129.8	113.7	155.7	-105.6	-89.1	0	0	0	109
754	S	22.8	Very low	21.7	Very low	109 Å²	109	138.2 Å²	138.2	76%	0.762	81%	0.809	S	S	*	*			trans	-95.7	151.8	173.7	36.2	0	0	0	0	111.4
755	A	21	Very low	21.7	Very low	99 Å²	99	135.7 Å²	135.7	82%	0.818	80%	0.803	S	S	*	*			trans	-26.3	134.3	176.4	0	0	0	0	0	119.2
756	I	22.1	Very low	21.7	Very low	170 Å²	170	135.1 Å²	135.1	87%	0.872	80%	0.799	S	S	*	*			trans	-134.9	125	139.4	-64.9	-176.7	0	0	0	108.9
757	S	19.8	Very low	21.7	Very low	102 Å²	102	135.1 Å²	135.1	71%	0.713	80%	0.796	S	S	*	*			trans	-91.4	159.7	170.1	178.8	0	0	0	0	110.3
758	S	22.5	Very low	21.7	Very low	104 Å²	104	137 Å²	137	73%	0.727	80%	0.798	S	S	*	*			trans	76.7	108.1	162.5	73.9	0	0	0	0	118.9
759	Q	26	Very low	21.9	Very low	199 Å²	199	140.3 Å²	140.3	93%	0.93	81%	0.807	S	S	*	*				-164.6	97.3	126.7	-110.1	165.9	9.2	0	0	111
760	M	17.8	Very low	21.8	Very low	180 Å²	180	138.1 Å²	138.1	89%	0.887	80%	0.797	S	S	*	*			trans	-80.6	133.1	148.7	-81.4	-179.2	157.5	0	0	108.1
761	N	22.2	Very low	21.9	Very low	152 Å²	152	139.4 Å²	139.4	81%	0.813	80%	0.799	S	S	*	*			trans	142.7	111.8	147.8	-80.2	-21.2	0	0	0	111.1
762	K	24.1	Very low	21.7	Very low	198 Å²	198	139.5 Å²	139.5	86%	0.861	80%	0.801	S	S	*	*				-170.7	102.9	119.3	-103.7	170.3	-177	178.3	0	110.4
763	V	20.7	Very low	21.8	Very low	125 Å²	125	140.3 Å²	140.3	76%	0.758	80%	0.801	S	S	*	*			trans	-60.9	129.4	153.3	173.2	0	0	0	0	107.7
764	V	24.9	Very low	21.6	Very low	139 Å²	139	134.5 Å²	134.5	84%	0.842	80%	0.796	S	S	*	*			trans	-116.9	115	158	176.2	0	0	0	0	106.8
765	S	21.5	Very low	21.5	Very low	94 Å²	94	135.7 Å²	135.7	66%	0.657	80%	0.798	S	S	*	*			trans	-76.8	155.4	-176.9	-53.9	0	0	0	0	112.4
766	S	19.2	Very low	21.4	Very low	99 Å²	99	140 Å²	140	69%	0.692	80%	0.802	S	S	*	*			trans	-27	160.8	166.9	-45.4	0	0	0	0	118.4
767	P	24	Very low	21.3	Very low	124 Å²	124	139.5 Å²	139.5	81%	0.805	80%	0.799	S	S	*	*			trans	-107.2	119.6	131.2	26.8	-13.1	0	0	0	110.4
768	N	20.2	Very low	21.4	Very low	145 Å²	145	141.2 Å²	141.2	78%	0.775	81%	0.805	S	S	*	*			trans	-67	131.4	159.8	-78.3	-38.7	0	0	0	109.2
769	L	24.3	Very low	21.3	Very low	169 Å²	169	145.3 Å²	145.3	89%	0.885	81%	0.81	S	S	*	*			trans	-136.1	92.9	150.9	-102.4	109	0	0	0	109.6
770	S	19.1	Very low	21.2	Very low	97 Å²	97	144.9 Å²	144.9	68%	0.678	81%	0.805	S	S	*	*			trans	-73	125.1	146.3	49.8	0	0	0	0	108.6
771	N	23	Very low	21.5	Very low	158 Å²	158	143.3 Å²	143.3	85%	0.845	80%	0.8	S	S	*	*			trans	-166.9	126.4	131.9	-98.2	-12.8	0	0	0	111.3
772	C	18.4	Very low	21.5	Very low	120 Å²	120	140 Å²	140	81%	0.811	80%	0.802	S	S	*	*			trans	-63.5	135.1	167.1	-56.4	0	0	0	0	110.1
773	V	21.8	Very low	21.7	Very low	126 Å²	126	137.6 Å²	137.6	76%	0.764	79%	0.794	S	S	*	*			trans	-138.4	110.2	148.4	177	0	0	0	0	107.5	T775	V773-T775 HydrophobicContact CG1-CG2 4.47Å
774	S	17.7	Very low	22	Very low	116 Å²	116	137.8 Å²	137.8	81%	0.811	80%	0.798	S	S	*	*			trans	-61.6	129.3	162.8	-54.4	0	0	0	0	109.1
775	T	22	Very low	22	Very low	134 Å²	134	139.9 Å²	139.9	82%	0.822	80%	0.799	S	S	*	*			trans	-139.5	144.8	159	30.1	0	0	0	0	110.1	V773	V773-T775 HydrophobicContact CG1-CG2 4.47Å
776	E	19.1	Very low	22.3	Very low	189 Å²	189	139.9 Å²	139.9	88%	0.883	80%	0.804	S	S	*	*			trans	-81.8	156.7	-153.7	-65	169.7	145.1	0	0	113.6	T778	E776-T778 PolarHBondContact O-N 2.95Å
777	I	20.2	Very low	22.5	Very low	160 Å²	160	145.4 Å²	145.4	82%	0.821	82%	0.816	S	S	*	*			trans	-73.1	111.7	179.2	-63.3	163.1	0	0	0	109.2
778	T	21.3	Very low	22.7	Very low	138 Å²	138	150.5 Å²	150.5	85%	0.847	82%	0.819	S	S	*	*			trans	-100.7	115.5	158.2	51.8	0	0	0	0	110	E776	E776-T778 PolarHBondContact O-N 2.95Å
779	K	20.5	Very low	23.1	Very low	190 Å²	190	147.9 Å²	147.9	83%	0.826	81%	0.812	S	S	*	*			trans	-66	126.8	174.6	-61.5	169.8	179.2	173.6	0	110.2
780	K	23	Very low	23	Very low	189 Å²	189	151.4 Å²	151.4	82%	0.822	81%	0.813	S	S	*	*			trans	-145.7	117.3	151.6	-82.7	-161.4	175.6	-179.6	0	111.3
781	D	23.9	Very low	23.4	Very low	148 Å²	148	153.7 Å²	153.7	79%	0.791	82%	0.816	S	S	*	*			trans	61.1	97.5	136	-48.8	-33.7	0	0	0	120.8
782	G	24	Very low	23.5	Very low	83 Å²	83	152 Å²	152	86%	0.856	81%	0.814	S	S	*	*				69	81.9	121.5	0	0	0	0	0	119.4
783	E	26.6	Very low	23.9	Very low	146 Å²	146	152 Å²	152	68%	0.682	82%	0.815	S	S	*	*			trans	-117.8	146.2	160.5	-100.9	180	168.8	0	0	110.7	R535 Q785	R535-E783 IonicContact NH1-OE1 2.99Å; R535-E783 PolarHBondContact NH1-OE1 3.09Å; E783-Q785 PolarHBondContact O-N 3.02Å
784	P	27.3	Very low	24.3	Very low	130 Å²	130	150.2 Å²	150.2	84%	0.844	81%	0.809	S	S	*	*			trans	-73.5	114.6	-164.7	28.7	-32.7	0	0	0	111.6	A786	P784-A786 PolarHBondContact O-N 2.97Å
785	Q	24.5	Very low	24.8	Very low	183 Å²	183	151.1 Å²	151.1	86%	0.855	82%	0.815	S	S	*	*			trans	-70.9	119.7	173.1	-70.3	-177.2	-12.5	0	0	110	E783 K787	E783-Q785 PolarHBondContact O-N 3.02Å; Q785-K787 PolarHBondContact O-N 2.96Å; Q785-K787 VanDerWaalsContact O-N 3.12Å
786	A	27.9	Very low	25.3	Very low	93 Å²	93	148 Å²	148	77%	0.769	80%	0.803	S	S	*	*			trans	-51.7	118.6	162	0	0	0	0	0	108.7	P784 R788	P784-A786 PolarHBondContact O-N 2.97Å; A786-R788 PolarHBondContact O-N 3.48Å
787	K	24.9	Very low	25.9	Very low	215 Å²	215	141.3 Å²	141.3	94%	0.935	78%	0.777	S	S	*	*			trans	-61.2	104.7	-174.5	-68.8	178.2	179.2	176.6	0	109.5	Q785	Q785-K787 PolarHBondContact O-N 2.96Å; Q785-K787 VanDerWaalsContact O-N 3.12Å
788	R	27	Very low	26.9	Very low	232 Å²	232	134.8 Å²	134.8	88%	0.875	75%	0.745	S	S	*	*			trans	-79.5	118	164.1	-71.6	178.9	174.7	-171.8	-2.4	107.2	A786 R790	A786-R788 PolarHBondContact O-N 3.48Å; R788-R790 PolarHBondContact O-N 3.42Å
789	S	29.9	Very low	27.9	Very low	89 Å²	89	131.3 Å²	131.3	62%	0.622	73%	0.725	S	S	*	*			trans	-61.9	121.7	169.8	68.1	0	0	0	0	108
790	R	21.7	Very low	29.1	Very low	244 Å²	244	123.6 Å²	123.6	92%	0.921	69%	0.692	S	S	*	*			trans	-113.8	86.7	-179.1	-163.8	-172.5	-133.9	-171.5	4.9	106.7	R788	R788-R790 PolarHBondContact O-N 3.42Å
791	I	27.4	Very low	30.1	Very low	145 Å²	145	117.9 Å²	117.9	74%	0.744	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-96.6	136.3	170.5	-57.5	179	0	0	0	108.1	S793	I791-S793 PolarHBondContact O-N 3.22Å
792	P	25.5	Very low	31.1	Very low	121 Å²	121	118.1 Å²	118.1	79%	0.786	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-63.8	132.9	-174.6	-20.7	32.7	0	0	0	113.2	S794	P792-S794 PolarHBondContact O-N 3.32Å
793	S	25.7	Very low	32.2	Very low	120 Å²	120	115.2 Å²	115.2	84%	0.839	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-64.1	117.4	179.5	53.2	0	0	0	0	112.6	I791	I791-S793 PolarHBondContact O-N 3.22Å
794	S	29.6	Very low	32.9	Very low	90 Å²	90	110.1 Å²	110.1	63%	0.629	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-84.3	143.8	155.1	78.5	0	0	0	0	108.8	P792 A796	P792-S794 PolarHBondContact O-N 3.32Å; S794-A796 VanDerWaalsContact C-N 3.26Å; S794-A796 PolarHBondContact O-N 3.18Å
795	S	29.5	Very low	33.7	Very low	134 Å²	134	107.3 Å²	107.3	94%	0.937	58%	0.582	S	S	*	*	S	Bend	trans	-83.5	32.9	-162.6	58.6	0	0	0	0	115.6
796	A	32.2	Very low	34.4	Very low	70 Å²	70	101 Å²	101	58%	0.579	56%	0.558	S	S	*	*			trans	-108.5	104.5	178	0	0	0	0	0	110.2	S794 S798	S794-A796 VanDerWaalsContact C-N 3.26Å; S794-A796 PolarHBondContact O-N 3.18Å; A796-S798 PolarHBondContact O-N 2.78Å
797	S	32.5	Very low	34.9	Very low	48 Å²	48	102.5 Å²	102.5	34%	0.336	55%	0.547	S	S	.	.			trans	-63	131.4	171.8	60	0	0	0	0	110.6	E267 R802	E267-S797 WeakPolarHBondContact OE1-CA 3.41Å; S797-R802 PolarHBondContact OG-NH2 2.81Å
798	S	40.3	Very low	35.1	Very low	22 Å²	22	95.7 Å²	95.7	15%	0.154	53%	0.527	C	S	.	.			trans	-51.8	135.9	178.3	177.4	0	0	0	0	111.7	E267 A796 F800 K801	E267-S798 PolarHBondContact OE1-N 2.6Å; A796-S798 PolarHBondContact O-N 2.78Å; S798-F800 PolarHBondContact O-N 3.17Å; S798-F800 VanDerWaalsContact O-N 3.09Å; S798-K801 PolarHBondContact O-N 3.32Å
799	P	43	Very low	35.1	Very low	66 Å²	66	90 Å²	90	43%	0.429	52%	0.52	S	S	.	.	H	α-helix	trans	-54.6	-28.3	178.1	-25.1	33	0	0	0	114	K801 R802 M803	P799-K801 PolarHBondContact O-N 3.45Å; P799-R802 PolarHBondContact O-N 3.33Å; P799-M803 PolarHBondContact O-N 3Å
800	F	45.7	Very low	35	Very low	28 Å²	28	90.5 Å²	90.5	12%	0.123	53%	0.529	C	S	.	.	H	α-helix	trans	-62.9	-39.2	-178.8	-81.3	-85.2	0	0	0	113.1	C261 F405 S798 R802 M803 L804	C261-F800 HydrophobicContact CB-CD2 4.4Å; C261-F800 HydrophobicContact CB-CE2 3.51Å; C261-F800 HydrophobicContact CB-CZ 3.69Å; F405-F800 HydrophobicContact CD2-CE1 4.27Å; F405-F800 HydrophobicContact CD2-CE2 4.46Å; F405-F800 AromaticContact CD2-CZ 3.85Å; F405-F800 HydrophobicContact CD2-CZ 3.85Å; F405-F800 HydrophobicContact CE2-CE1 4.15Å; F405-F800 AromaticContact CE2-CZ 3.84Å; F405-F800 HydrophobicContact CE2-CZ 3.84Å; S798-F800 PolarHBondContact O-N 3.17Å; S798-F800 VanDerWaalsContact O-N 3.09Å; F800-R802 VanDerWaalsContact C-N 3.33Å; F800-R802 PolarHBondContact O-N 3.49Å; F800-M803 PolarHBondContact O-N 3.42Å; F800-L804 PolarHBondContact O-N 2.92Å; F800-L804 VanDerWaalsContact O-N 3.11Å
801	K	42.2	Very low	35.3	Very low	68 Å²	68	83.6 Å²	83.6	30%	0.296	52%	0.518	S	S	.	.	H	α-helix	trans	-63.7	-37.7	178.2	-173.7	168.6	178.9	167.4	0	112.5	E267 T269 E285 S798 P799 S805	E267-K801 WeakPolarHBondContact OE2-CD 3.34Å; E267-K801 IonicContact OE2-NZ 2.89Å; E267-K801 PolarHBondContact OE2-NZ 3.38Å; T269-K801 PolarHBondContact OG1-NZ 3.28Å; E285-K801 WeakPolarHBondContact OE2-CA 3.5Å; S798-K801 PolarHBondContact O-N 3.32Å; P799-K801 PolarHBondContact O-N 3.45Å; K801-S805 WeakPolarHBondContact O-CB 3.38Å; K801-S805 PolarHBondContact O-N 3.49Å; K801-S805 VanDerWaalsContact O-N 3.1Å; K801-S805 PolarHBondContact O-OG 2.87Å
802	R	45.6	Very low	35.4	Very low	153 Å²	153	81.6 Å²	81.6	58%	0.577	52%	0.524	S	S	*	.	H	α-helix	trans	-73.7	-30.7	177	-71.5	-172.5	-160.1	170.3	8.9	112.6	L407 S797 P799 F800 S805 S806	L407-R802 HydrophobicContact CD1-CB 3.18Å; L407-R802 HydrophobicContact CD1-CG 4.31Å; S797-R802 PolarHBondContact OG-NH2 2.81Å; P799-R802 PolarHBondContact O-N 3.33Å; F800-R802 VanDerWaalsContact C-N 3.33Å; F800-R802 PolarHBondContact O-N 3.49Å; R802-S805 WeakPolarHBondContact CA-OG 3.42Å; R802-S805 PolarHBondContact O-OG 2.88Å; R802-S806 PolarHBondContact O-N 2.8Å; R802-S806 PolarHBondContact O-OG 2.86Å
803	M	47.6	Very low	35.5	Very low	22 Å²	22	79.2 Å²	79.2	11%	0.108	51%	0.514	C	S	.	.	H	α-helix	trans	-71.2	-42.1	177.9	-172.1	-98.4	-119.8	0	0	112.7	L337 L407 V417 P799 F800 S806 F807	L337-M803 HydrophobicContact CD2-CE 4.29Å; L407-M803 HydrophobicContact CD2-CB 4.23Å; L407-M803 HydrophobicContact CD2-CG 4.48Å; V417-M803 HydrophobicContact CG1-CG 4.35Å; V417-M803 HydrophobicContact CG2-CG 3.77Å; P799-M803 PolarHBondContact O-N 3Å; F800-M803 PolarHBondContact O-N 3.42Å; M803-S806 PolarHBondContact O-OG 3.07Å; M803-F807 WeakPolarHBondContact O-CD2 3.47Å; M803-F807 HydrophobicContact SD-CE2 4.37Å
804	L	41.7	Very low	35.5	Very low	40 Å²	40	81 Å²	81	21%	0.209	52%	0.515	C	S	.	.	H	α-helix	trans	-81.4	-33.6	179	-67.1	174.9	0	0	0	112.9	E285 F800 S806 F807 S808	E285-L804 HydrophobicContact CB-CD1 3.98Å; F800-L804 PolarHBondContact O-N 2.92Å; F800-L804 VanDerWaalsContact O-N 3.11Å; L804-S806 PolarHBondContact O-N 3.07Å; L804-F807 PolarHBondContact O-N 3.48Å; L804-F807 VanDerWaalsContact O-N 3.1Å; L804-S808 PolarHBondContact O-N 3.47Å
805	S	43	Very low	35.5	Very low	70 Å²	70	82.2 Å²	82.2	49%	0.49	52%	0.518	S	S	.	.	H	α-helix	trans	-65.9	-23.6	174.8	62	0	0	0	0	113.7	K801 R802 F807 S808	K801-S805 WeakPolarHBondContact O-CB 3.38Å; K801-S805 PolarHBondContact O-N 3.49Å; K801-S805 VanDerWaalsContact O-N 3.1Å; K801-S805 PolarHBondContact O-OG 2.87Å; R802-S805 WeakPolarHBondContact CA-OG 3.42Å; R802-S805 PolarHBondContact O-OG 2.88Å; S805-F807 VanDerWaalsContact C-N 3.29Å; S805-F807 PolarHBondContact O-N 2.91Å; S805-S808 PolarHBondContact O-N 3Å
806	S	40.2	Very low	35.5	Very low	52 Å²	52	83.7 Å²	83.7	36%	0.364	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-16.9	172.4	51.9	0	0	0	0	114.2	R802 M803 L804	R802-S806 PolarHBondContact O-N 2.8Å; R802-S806 PolarHBondContact O-OG 2.86Å; M803-S806 PolarHBondContact O-OG 3.07Å; L804-S806 PolarHBondContact O-N 3.07Å
807	F	37.8	Very low	35.2	Very low	123 Å²	123	89.7 Å²	89.7	54%	0.539	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-3	171	-65.6	-69.5	0	0	0	112.9	M803 L804 S805	M803-F807 WeakPolarHBondContact O-CD2 3.47Å; M803-F807 HydrophobicContact SD-CE2 4.37Å; L804-F807 PolarHBondContact O-N 3.48Å; L804-F807 VanDerWaalsContact O-N 3.1Å; S805-F807 VanDerWaalsContact C-N 3.29Å; S805-F807 PolarHBondContact O-N 2.91Å
808	S	28.4	Very low	35.1	Very low	72 Å²	72	94.9 Å²	94.9	50%	0.503	55%	0.55	S	S	.	*	S	Bend	trans	-88.5	124.9	-179.8	-155	0	0	0	0	109.6	L804 S805 A810	L804-S808 PolarHBondContact O-N 3.47Å; S805-S808 PolarHBondContact O-N 3Å; S808-A810 PolarHBondContact O-N 3.17Å
809	P	27.4	Very low	34.5	Very low	114 Å²	114	96.7 Å²	96.7	74%	0.74	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-59.6	136.5	177.3	20.7	-28.9	0	0	0	110.6	S811	P809-S811 PolarHBondContact O-N 3.43Å
810	A	27.7	Very low	33.7	Very low	98 Å²	98	102.1 Å²	102.1	81%	0.81	60%	0.598	S	S	*	*	S	Bend	trans	-53	122.7	-176.9	0	0	0	0	0	111.6	S808	S808-A810 PolarHBondContact O-N 3.17Å
811	S	28.8	Very low	32.8	Very low	99 Å²	99	105.1 Å²	105.1	69%	0.692	62%	0.622	S	S	*	*			trans	12	107.2	167.2	64.2	0	0	0	0	117	P809 A813	P809-S811 PolarHBondContact O-N 3.43Å; S811-A813 PolarHBondContact O-N 3.32Å
812	A	28.3	Very low	32	Very low	104 Å²	104	109.1 Å²	109.1	86%	0.86	65%	0.653	S	S	*	*			trans	-66.2	71.4	153.1	0	0	0	0	0	109.6
813	A	28	Very low	31	Very low	71 Å²	71	107.2 Å²	107.2	59%	0.587	66%	0.658	S	S	*	*			trans	-115.7	58.6	172.1	0	0	0	0	0	108.5	S811	S811-A813 PolarHBondContact O-N 3.32Å
814	D	25.9	Very low	29.9	Very low	158 Å²	158	110.7 Å²	110.7	85%	0.845	69%	0.69	S	S	*	*			trans	-166.5	59.3	164.5	-94.2	-27.4	0	0	0	110.4
815	V	30.7	Very low	29.2	Very low	114 Å²	114	114.9 Å²	114.9	69%	0.691	72%	0.717	S	S	*	*			trans	-118.7	-3.8	168.4	-173.6	0	0	0	0	112.8	K817	V815-K817 VanDerWaalsContact C-N 3.31Å; V815-K817 PolarHBondContact O-N 2.85Å
816	N	29.1	Very low	28.3	Very low	166 Å²	166	119.3 Å²	119.3	89%	0.888	73%	0.73	S	S	*	*	S	Bend	trans	-93.5	45.8	174.7	-77	-14.6	0	0	0	113.2
817	K	26.4	Very low	28	Very low	196 Å²	196	123.7 Å²	123.7	85%	0.852	75%	0.75	S	S	*	*			trans	-151.7	58.4	163.7	-75.5	-163.6	-179.5	178.9	0	111.7	V815	V815-K817 VanDerWaalsContact C-N 3.31Å; V815-K817 PolarHBondContact O-N 2.85Å
818	I	29	Very low	27.4	Very low	156 Å²	156	126.6 Å²	126.6	80%	0.8	76%	0.762	S	S	*	*			trans	-130.6	92.8	156.3	-55.8	179.3	0	0	0	106.4
819	G	27.2	Very low	27.3	Very low	61 Å²	61	128.5 Å²	128.5	63%	0.629	77%	0.766	S	S	*	*			trans	-64.1	149.9	167.2	0	0	0	0	0	109.9	S821	G819-S821 PolarHBondContact O-N 2.85Å
820	N	26.2	Very low	27.3	Very low	180 Å²	180	127.5 Å²	127.5	96%	0.963	76%	0.76	S	S	*	*			trans	-47.1	101	177.4	-66.7	-13.2	0	0	0	111.5
821	S	27.3	Very low	27.5	Very low	90 Å²	90	127.2 Å²	127.2	63%	0.629	74%	0.744	S	S	*	*			trans	-135.9	96.8	164.1	171.3	0	0	0	0	106.9	G819 V823	G819-S821 PolarHBondContact O-N 2.85Å; S821-V823 PolarHBondContact O-N 3Å
822	T	25.4	Very low	27.6	Very low	152 Å²	152	127.5 Å²	127.5	93%	0.933	74%	0.737	S	S	*	*			trans	-60.8	96.4	167.3	41.4	0	0	0	0	108.8
823	V	25	Very low	27.7	Very low	114 Å²	114	130.1 Å²	130.1	69%	0.691	73%	0.73	S	S	*	*			trans	-107.2	124.2	165.2	-176.6	0	0	0	0	107.5	S821 V825	S821-V823 PolarHBondContact O-N 3Å; V823-V825 PolarHBondContact O-N 3.31Å
824	A	24.5	Very low	27.8	Very low	94 Å²	94	135.2 Å²	135.2	78%	0.777	74%	0.735	S	S	*	*			trans	-63.2	116.6	177.8	0	0	0	0	0	109.7	E826	A824-E826 PolarHBondContact O-N 3.38Å
825	V	27.5	Very low	27.8	Very low	128 Å²	128	136.1 Å²	136.1	78%	0.776	73%	0.734	S	S	*	*			trans	-80.9	106.3	171.7	179.5	0	0	0	0	107.4	V823 N827	V823-V825 PolarHBondContact O-N 3.31Å; V825-N827 PolarHBondContact O-N 3.38Å
826	E	24.4	Very low	27.7	Very low	163 Å²	163	139.9 Å²	139.9	76%	0.762	74%	0.742	S	S	*	*			trans	-66.8	119.4	169	-78.8	-173	156.6	0	0	109.9	A824 K828	A824-E826 PolarHBondContact O-N 3.38Å; E826-K828 PolarHBondContact O-N 3.29Å; E826-K828 VanDerWaalsContact O-N 3.08Å
827	N	31.9	Very low	27.4	Very low	145 Å²	145	143.1 Å²	143.1	78%	0.775	74%	0.741	S	S	*	*			trans	-68.1	100.5	179.3	-81.1	-33.2	0	0	0	111.5	V825	V825-N827 PolarHBondContact O-N 3.38Å
828	K	25.8	Very low	27.5	Very low	183 Å²	183	137.2 Å²	137.2	80%	0.796	74%	0.736	S	S	*	*			trans	-118.8	73.4	162.4	-67.4	-172.6	-178	178.4	0	110.1	E826	E826-K828 PolarHBondContact O-N 3.29Å; E826-K828 VanDerWaalsContact O-N 3.08Å
829	L	26.9	Very low	27.4	Very low	112 Å²	112	132.6 Å²	132.6	59%	0.586	73%	0.727	S	S	*	*			trans	-112.5	110.5	172	-71.2	160.2	0	0	0	109.3	W92	W92-L829 HydrophobicContact CE3-CD2 4.34Å; W92-L829 HydrophobicContact CH2-CD2 3.11Å; W92-L829 HydrophobicContact CH2-CG 4.36Å; W92-L829 HydrophobicContact CZ2-CD2 3.61Å; W92-L829 HydrophobicContact CZ3-CB 4.41Å; W92-L829 HydrophobicContact CZ3-CD2 3.51Å
830	P	27.5	Very low	27.5	Very low	94 Å²	94	139.7 Å²	139.7	61%	0.61	74%	0.741	S	S	*	*			trans	-73.8	155.3	174.1	-12.3	28.4	0	0	0	112.7
831	N	32	Very low	27.8	Very low	92 Å²	92	142 Å²	142	49%	0.492	74%	0.737	S	S	.	*			trans	-66.9	128.5	-167.5	-61.1	-47.7	0	0	0	113.9	K567	K567-N831 WeakPolarHBondContact CE-OD1 3.32Å; K567-N831 PolarHBondContact NZ-OD1 2.8Å
832	L	30.7	Very low	27.9	Very low	104 Å²	104	142.4 Å²	142.4	55%	0.545	74%	0.74	S	S	.	*			trans	-103.2	108.1	172.5	-79.6	158.1	0	0	0	110.8	I91 W92	I91-L832 HydrophobicContact CG2-CD1 3.42Å; I91-L832 VanDerWaalsContact CG2-CD1 3.42Å; I91-L832 HydrophobicContact CG2-CD2 3.25Å; I91-L832 HydrophobicContact CG2-CG 3.91Å; W92-L832 HydrophobicContact CH2-CD1 4.27Å; W92-L832 HydrophobicContact CZ3-CD1 4.36Å
833	F	31	Very low	28	Very low	159 Å²	159	139.5 Å²	139.5	70%	0.697	73%	0.726	S	S	*	*			trans	-89.9	110.9	171.1	-89.8	-92.3	0	0	0	109.8
834	Y	29.4	Very low	28.1	Very low	179 Å²	179	141.3 Å²	141.3	70%	0.702	73%	0.732	S	S	*	*			trans	-86.5	103.9	159.9	-93.9	-88.6	0	0	0	108.6	F836	Y834-F836 PolarHBondContact O-N 3.11Å
835	Q	26.3	Very low	28.3	Very low	177 Å²	177	145.5 Å²	145.5	83%	0.827	74%	0.741	S	S	*	*			trans	-78.5	95.7	170.8	-150.1	177.5	28.2	0	0	108	R837	Q835-R837 PolarHBondContact O-N 3.26Å
836	F	27.4	Very low	28.3	Very low	193 Å²	193	145.2 Å²	145.2	85%	0.846	74%	0.739	S	S	*	*			trans	-61.3	104	163.5	-86.7	-91.4	0	0	0	107.5	Y834 G838	Y834-F836 PolarHBondContact O-N 3.11Å; F836-G838 VanDerWaalsContact C-N 3.25Å; F836-G838 PolarHBondContact O-N 3.16Å
837	R	24.5	Very low	28.3	Very low	234 Å²	234	147.9 Å²	147.9	88%	0.883	74%	0.744	S	S	*	*			trans	-64.4	94.7	162	-88.1	-175.2	168.8	168.5	-2.2	107.1	Q835 G839	Q835-R837 PolarHBondContact O-N 3.26Å; R837-G839 PolarHBondContact O-N 2.81Å; R837-G839 VanDerWaalsContact O-N 3.09Å
838	G	27.7	Very low	28.4	Very low	72 Å²	72	154.5 Å²	154.5	74%	0.742	77%	0.766	S	S	*	*			trans	-51.7	114.3	164.2	0	0	0	0	0	108.3	F836 K840	F836-G838 VanDerWaalsContact C-N 3.25Å; F836-G838 PolarHBondContact O-N 3.16Å; G838-K840 PolarHBondContact O-N 3.12Å
839	G	27.8	Very low	28.5	Very low	59 Å²	59	153.1 Å²	153.1	61%	0.608	77%	0.765	S	S	*	*			trans	-54.8	135.8	170.4	0	0	0	0	0	109.1	R837 Y841	R837-G839 PolarHBondContact O-N 2.81Å; R837-G839 VanDerWaalsContact O-N 3.09Å; G839-Y841 PolarHBondContact O-N 3.45Å
840	K	28.2	Very low	28.6	Very low	210 Å²	210	155.3 Å²	155.3	91%	0.913	77%	0.774	S	S	*	*			trans	-52.4	94.1	174.3	-65.3	177.7	175.8	-177.8	0	110.2	G838	G838-K840 PolarHBondContact O-N 3.12Å
841	Y	33.1	Very low	28.7	Very low	227 Å²	227	158.7 Å²	158.7	89%	0.89	78%	0.783	S	S	*	*			trans	-99.5	94.6	154.5	-74.6	-76.7	0	0	0	106.6	G839 S843	G839-Y841 PolarHBondContact O-N 3.45Å; Y841-S843 PolarHBondContact O-N 3.46Å
842	S	29	Very low	28.5	Very low	99 Å²	99	162.6 Å²	162.6	69%	0.692	80%	0.8	S	S	*	*			trans	-57.2	127.3	171.5	134.4	0	0	0	0	109.4	N844	S842-N844 PolarHBondContact O-N 3.38Å
843	S	28.4	Very low	28.3	Very low	92 Å²	92	166.3 Å²	166.3	64%	0.643	82%	0.816	S	S	*	*			trans	16.1	100.7	141.8	58.9	0	0	0	0	116.6	Y841	Y841-S843 PolarHBondContact O-N 3.46Å
844	N	26.6	Very low	28.2	Very low	152 Å²	152	166.7 Å²	166.7	81%	0.813	82%	0.824	S	S	*	*			trans	-171.6	79.8	146.4	-90.4	-23.8	0	0	0	109.3	S842	S842-N844 PolarHBondContact O-N 3.38Å
845	L	28.3	Very low	28.1	Very low	182 Å²	182	165.9 Å²	165.9	95%	0.953	83%	0.833	S	S	*	*			trans	-119.4	85.7	161.1	-98.8	152.8	0	0	0	106.6
846	T	26.6	Very low	28.2	Very low	122 Å²	122	165 Å²	165	75%	0.748	83%	0.834	S	S	*	*			trans	-78.8	130.3	173.3	-7.5	0	0	0	0	109.3
847	Y	24.6	Very low	28.3	Very low	219 Å²	219	162.7 Å²	162.7	86%	0.859	83%	0.833	S	S	*	*			trans	-7.8	124.2	165.6	-77.8	-95.1	0	0	0	118.6
848	F	34.8	Very low	28.6	Very low	284 Å²	284	156.2 Å²	156.2	100%	1.246	83%	0.828	S	S	*	*			trans	-145.8	0	136.7	-104.6	-75.7	0	0	0	110.4

Retrieved 848 of 848 residues in 677 ms (Link to these results)

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