A0A087YCW4_POEFO Loading...

cyclin-dependent kinase

AlphaFold DB , UniProt , Accession A0A087YCW4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 830 aa.

						>A0A087YCW4_POEFO|A0A087YCW4
MLMGDEKETWKVKTLDEILQEKKRRRELEEKTVIKRQKNFSQGVVPQTNDREPKRDTPEEGELRDQRMEITIRNSPYVREDSTEDRGEEDESLAIKPPQQVARKDKTHHRKEEKRKDKRRHRSHSAEGAGGKHVRVKDKEKERDSDRRKRRWEEDKARRDWERQKRREQARAHSRRERRKLQEHSPPPAVPRCLAANAKDRLEQQERQRERDRKIREQQKEQREFKERERRVDDRHKERGSRREIPSHHRMLPDEYDDKSKQAHRSRSPTRGSRDRSEHSEPRKIPASKEERLDVQDLLADLQDISDVERKTSTAESSIASGSGSEEEDEEEGEDQSSSQSEGEEEEEDEGESVSASGRSEQSAEDVSEEEQSDEDVEEERENGKHIPAVPESRFDHDSEETGEEEEDDEEEEDDEEEGREGDPTPQSQTHSRSPTPEENYIPESPPVSPVELKKELPKYLPALQGCRSVEEFQCLNRIEEGTYGVVYRAKDKKTDEIVALKRLKMEKEKEGFPITSLREINTILKAQHPNIVTVREIVVGSNMDKIYIVMNYVEHDLKSLMETMKQPFLPGEIKTLMLQLLRGVRHLHDNWILHRDLKTSNLLLSHKGILKIGDFGLAREYGSPLKQYTPVVVTLWYRSPELLLGAKEYSTAVDMWSVGCIFGELLTQKPLFPGKSEIDQINKIYKDLGSPSEKIWPGYSELPAVKKMSFTEYPYNNLRKRFGALLSDQGFDLMNKFLTYCPSKRISADEALKHEYFRETPLPIDPSMFPTWPAKSEQQRVKRGTSPRPPEGGLGYSQLGDDDLKDTGFHLTTSNLGASAVGPGFSLKF
					

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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	33.3	Very low	37.7	Very low	252 Å²	252	171.7 Å²	171.7	100%	1.241	86%	0.855	S	S	*	*				0	162.4	0	-79.1	173.6	166.6	0	0	108.5
2	L	34.2	Very low	38.4	Very low	177 Å²	177	168.8 Å²	168.8	93%	0.927	85%	0.852	S	S	*	*			trans	-75.9	145.9	-157.6	-69.6	151.5	0	0	0	114
3	M	36.3	Very low	40.6	Very low	184 Å²	184	165 Å²	165	91%	0.906	83%	0.827	S	S	*	*			trans	-81.8	155.6	151.4	-60.3	-178.7	-170.8	0	0	108.8
4	G	32.9	Very low	43.1	Very low	75 Å²	75	158.8 Å²	158.8	77%	0.773	80%	0.802	S	S	*	*			trans	-127.6	109.6	166.6	0	0	0	0	0	109.9
5	D	41.1	Very low	43.9	Very low	123 Å²	123	156.3 Å²	156.3	66%	0.658	79%	0.791	S	S	*	*			trans	-83.9	113.8	170.2	-101.4	10.6	0	0	0	108.6	K7	D5-K7 WeakPolarHBondContact OD2-CE 3.21Å; D5-K7 IonicContact OD2-NZ 2.86Å; D5-K7 PolarHBondContact OD2-NZ 3.49Å
6	E	38.9	Very low	45.3	Very low	198 Å²	198	152.7 Å²	152.7	93%	0.925	77%	0.774	S	S	*	*			trans	-104.5	104.2	162	-72.2	-167.4	154.7	0	0	109.3
7	K	38.9	Very low	46.9	Very low	159 Å²	159	149.2 Å²	149.2	69%	0.691	75%	0.754	S	S	*	*			trans	-97.6	106.2	175.9	-71.9	173.1	-177.2	148.8	0	109.5	D5 T9	D5-K7 WeakPolarHBondContact OD2-CE 3.21Å; D5-K7 IonicContact OD2-NZ 2.86Å; D5-K7 PolarHBondContact OD2-NZ 3.49Å; K7-T9 PolarHBondContact O-N 3.17Å
8	E	42.8	Very low	48.6	Very low	176 Å²	176	146 Å²	146	82%	0.822	74%	0.739	S	S	*	*			trans	-62.2	105.2	169.7	-70.3	-169.3	135	0	0	110	W10	E8-W10 PolarHBondContact O-N 2.97Å
9	T	34	Very low	49.7	Very low	120 Å²	120	142.8 Å²	142.8	74%	0.736	72%	0.723	S	S	*	*			trans	-88.4	106.7	177.5	39.2	0	0	0	0	109.8	K7 K11	K7-T9 PolarHBondContact O-N 3.17Å; T9-K11 PolarHBondContact O-N 3.04Å
10	W	40.2	Very low	50.8	Low	230 Å²	230	142.6 Å²	142.6	87%	0.871	72%	0.72	S	S	*	*			trans	-66.3	96.4	173.8	-68.2	81.9	0	0	0	109.8	E8 V12	E8-W10 PolarHBondContact O-N 2.97Å; W10-V12 PolarHBondContact O-N 2.77Å; W10-V12 VanDerWaalsContact O-N 3.09Å
11	K	42.6	Very low	52.2	Low	195 Å²	195	138.7 Å²	138.7	85%	0.848	70%	0.699	S	S	*	*			trans	-66	107.7	171.6	-74.6	-167.3	173.8	-170	0	109.7	T9	T9-K11 PolarHBondContact O-N 3.04Å
12	V	45.9	Very low	54.3	Low	137 Å²	137	133.7 Å²	133.7	83%	0.83	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-67.6	129.2	165.7	-179	0	0	0	0	107.6	W10	W10-V12 PolarHBondContact O-N 2.77Å; W10-V12 VanDerWaalsContact O-N 3.09Å
13	K	67	Low	56.5	Low	119 Å²	119	132.6 Å²	132.6	52%	0.517	66%	0.658	S	S	.	*	P	Polyproline II helix	trans	-70.8	145	176.7	-69.8	-161.4	166.5	-154.1	0	111.4	E17 I18	K13-E17 WeakPolarHBondContact CA-OE2 3.41Å; K13-E17 HydrophobicContact CB-CB 4.18Å; K13-E17 VanDerWaalsContact CB-OE2 3.24Å; K13-E17 WeakPolarHBondContact CB-OE2 3.3Å; K13-E17 HydrophobicContact CD-CB 4.28Å; K13-E17 WeakPolarHBondContact CG-OE2 3.33Å; K13-I18 HydrophobicContact CB-CD1 4.25Å; K13-I18 HydrophobicContact CB-CG1 4.01Å
14	T	75.9	Confident	58.6	Low	78 Å²	78	130.4 Å²	130.4	48%	0.479	64%	0.639	S	S	.	*	P	Polyproline II helix	trans	-70.8	164.8	171.9	65	0	0	0	0	110.9	D16 E17 I18	T14-D16 PolarHBondContact O-N 2.86Å; T14-E17 PolarHBondContact N-OE2 3.02Å; T14-E17 PolarHBondContact O-N 2.91Å; T14-E17 PolarHBondContact OG1-N 2.94Å; T14-I18 WeakPolarHBondContact O-CG1 3.36Å; T14-I18 PolarHBondContact O-N 3.43Å
15	L	54.5	Low	60.6	Low	122 Å²	122	134 Å²	134	64%	0.639	63%	0.63	S	S	*	*	H	α-helix	trans	-59.9	-38.9	177.3	-171.7	61.2	0	0	0	111	I18 L19	L15-I18 WeakPolarHBondContact O-CB 3.43Å; L15-I18 PolarHBondContact O-N 2.69Å; L15-L19 HydrophobicContact CG-CD1 4.09Å; L15-L19 HydrophobicContact CG-CG 4.49Å; L15-L19 WeakPolarHBondContact O-CG 3.24Å; L15-L19 PolarHBondContact O-N 3.32Å
16	D	65.7	Low	62.2	Low	98 Å²	98	137.2 Å²	137.2	52%	0.524	63%	0.633	S	S	.	*	H	α-helix	trans	-69.9	-38.7	-179.9	-51.2	-52.2	0	0	0	112.9	T14 I18 L19 Q20	T14-D16 PolarHBondContact O-N 2.86Å; D16-I18 PolarHBondContact O-N 3.02Å; D16-L19 PolarHBondContact O-N 2.78Å; D16-Q20 WeakPolarHBondContact O-CB 3.16Å; D16-Q20 VanDerWaalsContact O-CG 3.3Å; D16-Q20 WeakPolarHBondContact O-CG 3.32Å; D16-Q20 PolarHBondContact O-N 3.17Å
17	E	73.7	Confident	64.1	Low	93 Å²	93	131.1 Å²	131.1	44%	0.435	60%	0.604	S	S	.	*	H	α-helix	trans	-60.1	-31.3	171.7	-76.7	-172.4	137.2	0	0	112.2	K13 T14 E21	K13-E17 WeakPolarHBondContact CA-OE2 3.41Å; K13-E17 HydrophobicContact CB-CB 4.18Å; K13-E17 VanDerWaalsContact CB-OE2 3.24Å; K13-E17 WeakPolarHBondContact CB-OE2 3.3Å; K13-E17 HydrophobicContact CD-CB 4.28Å; K13-E17 WeakPolarHBondContact CG-OE2 3.33Å; T14-E17 PolarHBondContact N-OE2 3.02Å; T14-E17 PolarHBondContact O-N 2.91Å; T14-E17 PolarHBondContact OG1-N 2.94Å; E17-E21 WeakPolarHBondContact O-CB 3.34Å; E17-E21 PolarHBondContact O-N 3.25Å
18	I	76.5	Confident	65.7	Low	92 Å²	92	127.8 Å²	127.8	47%	0.472	59%	0.593	S	S	.	*	H	α-helix	trans	-77.4	-41.8	176.4	-64.5	167.6	0	0	0	110.4	K13 T14 L15 D16 K22	K13-I18 HydrophobicContact CB-CD1 4.25Å; K13-I18 HydrophobicContact CB-CG1 4.01Å; T14-I18 WeakPolarHBondContact O-CG1 3.36Å; T14-I18 PolarHBondContact O-N 3.43Å; L15-I18 WeakPolarHBondContact O-CB 3.43Å; L15-I18 PolarHBondContact O-N 2.69Å; D16-I18 PolarHBondContact O-N 3.02Å; I18-K22 VanDerWaalsContact O-CB 3.3Å; I18-K22 WeakPolarHBondContact O-CB 3.08Å; I18-K22 PolarHBondContact O-N 3.27Å
19	L	70.5	Confident	67	Low	86 Å²	86	125.9 Å²	125.9	45%	0.45	58%	0.584	S	S	.	*	H	α-helix	trans	-67.2	-41.6	177.2	-70.6	171.4	0	0	0	112.1	L15 D16 K22 K23	L15-L19 HydrophobicContact CG-CD1 4.09Å; L15-L19 HydrophobicContact CG-CG 4.49Å; L15-L19 WeakPolarHBondContact O-CG 3.24Å; L15-L19 PolarHBondContact O-N 3.32Å; D16-L19 PolarHBondContact O-N 2.78Å; L19-K22 CarbonylContact O-C 3.39Å; L19-K22 WeakPolarHBondContact O-CB 3.41Å; L19-K22 PolarHBondContact O-N 3.37Å; L19-K23 PolarHBondContact O-N 3.27Å
20	Q	71.6	Confident	68.8	Low	138 Å²	138	125.4 Å²	125.4	65%	0.645	57%	0.574	S	S	*	*	H	α-helix	trans	-64.2	-46.8	176.4	-72.4	-178	7	0	0	112	D16 K22 K23 R24	D16-Q20 WeakPolarHBondContact O-CB 3.16Å; D16-Q20 VanDerWaalsContact O-CG 3.3Å; D16-Q20 WeakPolarHBondContact O-CG 3.32Å; D16-Q20 PolarHBondContact O-N 3.17Å; Q20-K22 PolarHBondContact O-N 2.88Å; Q20-K23 PolarHBondContact O-N 3.09Å; Q20-R24 VanDerWaalsContact O-CB 3.31Å; Q20-R24 WeakPolarHBondContact O-CB 3.3Å; Q20-R24 PolarHBondContact O-N 3Å
21	E	79.6	Confident	70.4	Confident	60 Å²	60	120.3 Å²	120.3	28%	0.28	56%	0.558	S	S	.	*	H	α-helix	trans	-63.2	-30	173.9	170.5	64.1	-174.8	0	0	111.7	E17 R24 R25	E17-E21 WeakPolarHBondContact O-CB 3.34Å; E17-E21 PolarHBondContact O-N 3.25Å; E21-R24 IonicContact OE2-CZ 2.71Å; E21-R24 IonicContact OE2-NE 2.76Å; E21-R24 PolarHBondContact OE2-NE 2.7Å; E21-R24 IonicContact OE2-NH2 2.77Å; E21-R25 WeakPolarHBondContact O-CB 3.31Å; E21-R25 VanDerWaalsContact O-CG 3.26Å; E21-R25 WeakPolarHBondContact O-CG 3.5Å; E21-R25 PolarHBondContact O-N 2.81Å; E21-R25 IonicContact OE1-CZ 2.74Å; E21-R25 VanDerWaalsContact OE1-CZ 3.3Å; E21-R25 IonicContact OE1-NE 3.2Å; E21-R25 PolarHBondContact OE1-NE 2.83Å; E21-R25 IonicContact OE1-NH2 3.91Å; E21-R25 PolarHBondContact OE1-NH2 3.25Å
22	K	77.3	Confident	71.6	Confident	148 Å²	148	114.8 Å²	114.8	64%	0.643	54%	0.54	S	S	*	.	H	α-helix	trans	-71.6	-42.1	174	-164.4	180	-178.5	-172	0	112.4	I18 L19 Q20 R25 R26	I18-K22 VanDerWaalsContact O-CB 3.3Å; I18-K22 WeakPolarHBondContact O-CB 3.08Å; I18-K22 PolarHBondContact O-N 3.27Å; L19-K22 CarbonylContact O-C 3.39Å; L19-K22 WeakPolarHBondContact O-CB 3.41Å; L19-K22 PolarHBondContact O-N 3.37Å; Q20-K22 PolarHBondContact O-N 2.88Å; K22-R25 PolarHBondContact O-N 3.37Å; K22-R26 PolarHBondContact O-N 3.19Å; K22-R26 VanDerWaalsContact O-N 3.11Å
23	K	80.1	Confident	72.6	Confident	154 Å²	154	112 Å²	112	67%	0.67	52%	0.523	S	S	*	.	H	α-helix	trans	-60.7	-50.3	172.3	-174.2	172	-179.3	173.1	0	110.4	L19 Q20 R25 R26 E27	L19-K23 PolarHBondContact O-N 3.27Å; Q20-K23 PolarHBondContact O-N 3.09Å; K23-R25 PolarHBondContact O-N 2.94Å; K23-R26 PolarHBondContact O-N 3.31Å; K23-E27 PolarHBondContact O-N 3.47Å
24	R	81	Confident	72.4	Confident	137 Å²	137	110.2 Å²	110.2	52%	0.517	52%	0.519	S	S	.	.	H	α-helix	trans	-61.6	-28	179.4	-152.4	-174.1	75.6	84.6	5.1	113.7	Q20 E21 L28	Q20-R24 VanDerWaalsContact O-CB 3.31Å; Q20-R24 WeakPolarHBondContact O-CB 3.3Å; Q20-R24 PolarHBondContact O-N 3Å; E21-R24 IonicContact OE2-CZ 2.71Å; E21-R24 IonicContact OE2-NE 2.76Å; E21-R24 PolarHBondContact OE2-NE 2.7Å; E21-R24 IonicContact OE2-NH2 2.77Å; R24-L28 PolarHBondContact O-N 3.33Å
25	R	74.4	Confident	71.6	Confident	151 Å²	151	113.7 Å²	113.7	57%	0.57	53%	0.528	S	S	*	.	H	α-helix	trans	-74	-45.5	170.6	-80	175.6	-175.7	-131.4	-1.9	113	E21 K22 K23 E27 L28 E29	E21-R25 WeakPolarHBondContact O-CB 3.31Å; E21-R25 VanDerWaalsContact O-CG 3.26Å; E21-R25 WeakPolarHBondContact O-CG 3.5Å; E21-R25 PolarHBondContact O-N 2.81Å; E21-R25 IonicContact OE1-CZ 2.74Å; E21-R25 VanDerWaalsContact OE1-CZ 3.3Å; E21-R25 IonicContact OE1-NE 3.2Å; E21-R25 PolarHBondContact OE1-NE 2.83Å; E21-R25 IonicContact OE1-NH2 3.91Å; E21-R25 PolarHBondContact OE1-NH2 3.25Å; K22-R25 PolarHBondContact O-N 3.37Å; K23-R25 PolarHBondContact O-N 2.94Å; R25-E27 VanDerWaalsContact C-N 3.33Å; R25-E27 PolarHBondContact O-N 2.88Å; R25-L28 WeakPolarHBondContact O-CA 3.27Å; R25-L28 WeakPolarHBondContact O-CB 3.29Å; R25-L28 PolarHBondContact O-N 3.42Å; R25-E29 PolarHBondContact O-N 2.71Å
26	R	75.3	Confident	71.4	Confident	191 Å²	191	117.4 Å²	117.4	72%	0.721	53%	0.533	S	S	*	.	H	α-helix	trans	-57.3	-47.4	177.2	-178.2	-178.3	-85.7	-177.2	-9.7	110.7	K22 K23 L28 E29 E30	K22-R26 PolarHBondContact O-N 3.19Å; K22-R26 VanDerWaalsContact O-N 3.11Å; K23-R26 PolarHBondContact O-N 3.31Å; R26-L28 VanDerWaalsContact C-N 3.27Å; R26-L28 PolarHBondContact O-N 3.05Å; R26-E29 PolarHBondContact O-N 3.19Å; R26-E30 WeakPolarHBondContact O-CB 3.31Å; R26-E30 PolarHBondContact O-N 2.76Å
27	E	78	Confident	70.6	Confident	69 Å²	69	118.7 Å²	118.7	32%	0.322	54%	0.536	S	S	.	.	H	α-helix	trans	-57.5	-37.7	173.5	-71.5	178.9	-132	0	0	113.4	K23 R25 K31	K23-E27 PolarHBondContact O-N 3.47Å; R25-E27 VanDerWaalsContact C-N 3.33Å; R25-E27 PolarHBondContact O-N 2.88Å; E27-K31 VanDerWaalsContact O-CB 3.24Å; E27-K31 WeakPolarHBondContact O-CB 3.45Å; E27-K31 VanDerWaalsContact O-CD 3.26Å; E27-K31 WeakPolarHBondContact O-CD 3.49Å; E27-K31 WeakPolarHBondContact O-CG 3.38Å; E27-K31 PolarHBondContact O-N 3.04Å; E27-K31 IonicContact OE2-NZ 3.63Å; E27-K31 PolarHBondContact OE2-NZ 3.21Å
28	L	73.4	Confident	69.5	Low	90 Å²	90	121.2 Å²	121.2	47%	0.471	55%	0.545	S	S	.	.	H	α-helix	trans	-69.2	-41.9	179.4	-106.6	162.5	0	0	0	111.4	R24 R25 R26 T32	R24-L28 PolarHBondContact O-N 3.33Å; R25-L28 WeakPolarHBondContact O-CA 3.27Å; R25-L28 WeakPolarHBondContact O-CB 3.29Å; R25-L28 PolarHBondContact O-N 3.42Å; R26-L28 VanDerWaalsContact C-N 3.27Å; R26-L28 PolarHBondContact O-N 3.05Å; L28-T32 WeakPolarHBondContact O-CG2 3.48Å; L28-T32 PolarHBondContact O-N 2.74Å; L28-T32 VanDerWaalsContact O-N 3.15Å
29	E	69.9	Low	68.1	Low	135 Å²	135	123.1 Å²	123.1	63%	0.631	56%	0.557	S	S	*	*	H	α-helix	trans	-63.7	-47.5	174.7	-69.6	-179	151.8	0	0	110.7	R25 R26 K31 T32 V33	R25-E29 PolarHBondContact O-N 2.71Å; R26-E29 PolarHBondContact O-N 3.19Å; E29-K31 PolarHBondContact O-N 2.88Å; E29-T32 CarbonylContact O-C 3.55Å; E29-T32 WeakPolarHBondContact O-CA 3.28Å; E29-T32 WeakPolarHBondContact O-CB 3.33Å; E29-T32 PolarHBondContact O-N 3.12Å; E29-T32 PolarHBondContact O-OG1 2.8Å; E29-V33 PolarHBondContact O-N 2.74Å
30	E	72.2	Confident	66.8	Low	111 Å²	111	128.3 Å²	128.3	52%	0.519	58%	0.576	S	S	.	*	H	α-helix	trans	-58.8	-45.8	176.3	-172.5	165.2	-116.3	0	0	112.9	R26 T32 V33 I34	R26-E30 WeakPolarHBondContact O-CB 3.31Å; R26-E30 PolarHBondContact O-N 2.76Å; E30-T32 PolarHBondContact O-N 3.14Å; E30-V33 PolarHBondContact O-N 2.74Å; E30-I34 HydrophobicContact CG-CD1 4.3Å; E30-I34 WeakPolarHBondContact O-CG1 3.35Å; E30-I34 PolarHBondContact O-N 2.87Å
31	K	73.7	Confident	65.3	Low	122 Å²	122	126.1 Å²	126.1	53%	0.53	58%	0.576	S	S	.	*	H	α-helix	trans	-61	-23.9	172.1	-73.2	160.7	-171.7	161.7	0	112.5	E27 E29 K35	E27-K31 VanDerWaalsContact O-CB 3.24Å; E27-K31 WeakPolarHBondContact O-CB 3.45Å; E27-K31 VanDerWaalsContact O-CD 3.26Å; E27-K31 WeakPolarHBondContact O-CD 3.49Å; E27-K31 WeakPolarHBondContact O-CG 3.38Å; E27-K31 PolarHBondContact O-N 3.04Å; E27-K31 IonicContact OE2-NZ 3.63Å; E27-K31 PolarHBondContact OE2-NZ 3.21Å; E29-K31 PolarHBondContact O-N 2.88Å; K31-K35 WeakPolarHBondContact O-CB 3.34Å
32	T	68.6	Low	63.4	Low	79 Å²	79	131.5 Å²	131.5	49%	0.485	60%	0.601	S	S	.	*	H	α-helix	trans	-84.5	-28.7	169.6	67.1	0	0	0	0	114.4	L28 E29 E30 R36	L28-T32 WeakPolarHBondContact O-CG2 3.48Å; L28-T32 PolarHBondContact O-N 2.74Å; L28-T32 VanDerWaalsContact O-N 3.15Å; E29-T32 CarbonylContact O-C 3.55Å; E29-T32 WeakPolarHBondContact O-CA 3.28Å; E29-T32 WeakPolarHBondContact O-CB 3.33Å; E29-T32 PolarHBondContact O-N 3.12Å; E29-T32 PolarHBondContact O-OG1 2.8Å; E30-T32 PolarHBondContact O-N 3.14Å; T32-R36 PolarHBondContact O-N 2.8Å
33	V	66	Low	61.3	Low	78 Å²	78	128.1 Å²	128.1	47%	0.473	61%	0.608	S	S	.	*	H	α-helix	trans	-67.9	-50	174.5	173.1	0	0	0	0	110.5	E29 E30 K35 R36 Q37	E29-V33 PolarHBondContact O-N 2.74Å; E30-V33 PolarHBondContact O-N 2.74Å; V33-K35 PolarHBondContact O-N 3.3Å; V33-R36 WeakPolarHBondContact O-CA 3.26Å; V33-R36 WeakPolarHBondContact O-CB 3.14Å; V33-R36 PolarHBondContact O-N 2.8Å; V33-Q37 PolarHBondContact O-N 3.09Å
34	I	63.1	Low	59	Low	83 Å²	83	127.5 Å²	127.5	43%	0.426	62%	0.617	S	S	.	*	H	α-helix	trans	-57.7	-39	176.2	-64.1	165.8	0	0	0	110.7	E30 R36 Q37 K38	E30-I34 HydrophobicContact CG-CD1 4.3Å; E30-I34 WeakPolarHBondContact O-CG1 3.35Å; E30-I34 PolarHBondContact O-N 2.87Å; I34-R36 VanDerWaalsContact C-N 3.31Å; I34-R36 PolarHBondContact O-N 3.12Å; I34-Q37 PolarHBondContact O-N 3.24Å; I34-K38 PolarHBondContact O-N 3.11Å
35	K	57.6	Low	56.7	Low	151 Å²	151	127.4 Å²	127.4	66%	0.657	63%	0.631	S	S	*	*	H	α-helix	trans	-72.8	-20	177.7	-160.1	168.1	-171.5	172.5	0	113.6	K31 V33 N39	K31-K35 WeakPolarHBondContact O-CB 3.34Å; V33-K35 PolarHBondContact O-N 3.3Å; K35-N39 PolarHBondContact O-OD1 3.4Å
36	R	51.8	Low	55.5	Low	199 Å²	199	125.4 Å²	125.4	75%	0.751	64%	0.638	S	S	*	*	H	α-helix	trans	-79.9	-43.5	167.4	-83.3	179.8	165.8	175	-3	111.9	T32 V33 I34 N39 F40	T32-R36 PolarHBondContact O-N 2.8Å; V33-R36 WeakPolarHBondContact O-CA 3.26Å; V33-R36 WeakPolarHBondContact O-CB 3.14Å; V33-R36 PolarHBondContact O-N 2.8Å; I34-R36 VanDerWaalsContact C-N 3.31Å; I34-R36 PolarHBondContact O-N 3.12Å; R36-N39 PolarHBondContact O-N 2.72Å; R36-F40 PolarHBondContact O-N 2.91Å
37	Q	49.2	Very low	53.3	Low	125 Å²	125	124.6 Å²	124.6	58%	0.584	64%	0.642	S	S	*	*	H	α-helix	trans	-61.7	-46.4	178.2	-76	171.6	-40.2	0	0	112.1	V33 I34 N39 F40 S41	V33-Q37 PolarHBondContact O-N 3.09Å; I34-Q37 PolarHBondContact O-N 3.24Å; Q37-N39 PolarHBondContact O-N 3.3Å; Q37-F40 WeakPolarHBondContact O-CA 3.24Å; Q37-F40 PolarHBondContact O-N 2.94Å; Q37-S41 PolarHBondContact O-N 3.06Å; Q37-S41 VanDerWaalsContact O-N 3.09Å; Q37-S41 PolarHBondContact O-OG 3.04Å
38	K	50.1	Low	50.9	Low	146 Å²	146	126.7 Å²	126.7	64%	0.635	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.8	-27.5	175.7	-75.4	-170.2	174.1	-175.9	0	114	I34 F40 S41	I34-K38 PolarHBondContact O-N 3.11Å; K38-F40 VanDerWaalsContact C-N 3.32Å; K38-S41 PolarHBondContact O-OG 3.37Å
39	N	46.2	Very low	48.7	Very low	133 Å²	133	129.1 Å²	129.1	71%	0.711	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	-6	174.5	-75.1	15.9	0	0	0	113.5	K35 R36 Q37	K35-N39 PolarHBondContact O-OD1 3.4Å; R36-N39 PolarHBondContact O-N 2.72Å; Q37-N39 PolarHBondContact O-N 3.3Å
40	F	43.8	Very low	46.7	Very low	194 Å²	194	127.4 Å²	127.4	85%	0.851	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105	-20.1	176.9	-134.3	-97.2	0	0	0	112.3	R36 Q37 K38	R36-F40 PolarHBondContact O-N 2.91Å; Q37-F40 WeakPolarHBondContact O-CA 3.24Å; Q37-F40 PolarHBondContact O-N 2.94Å; K38-F40 VanDerWaalsContact C-N 3.32Å
41	S	39.6	Very low	44.6	Very low	93 Å²	93	132.3 Å²	132.3	65%	0.65	68%	0.682	S	S	*	*	S	Bend	trans	-90.9	5.3	-178.4	64.7	0	0	0	0	115.1	Q37 K38	Q37-S41 PolarHBondContact O-N 3.06Å; Q37-S41 VanDerWaalsContact O-N 3.09Å; Q37-S41 PolarHBondContact O-OG 3.04Å; K38-S41 PolarHBondContact O-OG 3.37Å
42	Q	39.7	Very low	42.7	Very low	173 Å²	173	134.4 Å²	134.4	81%	0.808	69%	0.694	S	S	*	*	S	Bend	trans	-127.7	104.1	171.7	-75.1	-170.1	-30.2	0	0	109.4
43	G	34.4	Very low	41.6	Very low	76 Å²	76	135.9 Å²	135.9	78%	0.784	71%	0.705	S	S	*	*			trans	-174.9	2.2	-175.7	0	0	0	0	0	120.1
44	V	31.4	Very low	39.9	Very low	141 Å²	141	140.2 Å²	140.2	86%	0.855	72%	0.717	S	S	*	*			trans	-145.3	155.5	178	-161.1	0	0	0	0	111.6
45	V	31.5	Very low	38.4	Very low	135 Å²	135	146.8 Å²	146.8	82%	0.818	74%	0.737	S	S	*	*			trans	93.4	137.3	170.6	-171.9	0	0	0	0	115.4
46	P	49.9	Very low	37	Very low	109 Å²	109	146.4 Å²	146.4	71%	0.708	74%	0.742	S	S	*	*			trans	-126.7	-161.4	-158.5	40.4	-20.4	0	0	0	114.8
47	Q	28.4	Very low	36.1	Very low	175 Å²	175	143 Å²	143	82%	0.818	74%	0.743	S	S	*	*			trans	76.9	151.1	177.2	-57.8	-172.4	-8.2	0	0	115
48	T	27.5	Very low	36.1	Very low	113 Å²	113	142 Å²	142	69%	0.693	75%	0.748	S	S	*	*			cis	-162.4	156.3	-14.8	20.5	0	0	0	0	110.4
49	N	27.7	Very low	35.3	Very low	140 Å²	140	142.5 Å²	142.5	75%	0.749	75%	0.752	S	S	*	*			trans	70.3	154.2	146.3	-92.1	39	0	0	0	124.9
50	D	28.5	Very low	34.6	Very low	100 Å²	100	145 Å²	145	54%	0.535	76%	0.76	S	S	.	*			trans	82.1	115	145.5	-87.2	-75.3	0	0	0	124.2
51	R	28.9	Very low	33.9	Very low	214 Å²	214	139.1 Å²	139.1	81%	0.808	75%	0.753	S	S	*	*			trans	61	113.6	136.9	-77.9	173.5	165.4	98.4	-5.9	123.3
52	E	32.7	Very low	33.7	Very low	165 Å²	165	141.4 Å²	141.4	77%	0.771	75%	0.754	S	S	*	*				42.7	137.6	114.3	-101.6	-170.1	-127.2	0	0	121.2
53	P	45.7	Very low	33.5	Very low	111 Å²	111	139.6 Å²	139.6	72%	0.721	75%	0.749	S	S	*	*				-150.9	156.2	76.9	40.2	-22.5	0	0	0	119.2
54	K	30.6	Very low	33.4	Very low	168 Å²	168	144.4 Å²	144.4	73%	0.73	74%	0.743	S	S	*	*			trans	38.6	114	137.6	-65.4	172.6	-175.6	172.5	0	119.9
55	R	30.8	Very low	33.5	Very low	222 Å²	222	143 Å²	143	84%	0.838	73%	0.731	S	S	*	*				82.7	136.2	87.5	-80.9	-167.2	-175.5	-169.8	0.5	113.5
56	D	28.5	Very low	33.7	Very low	142 Å²	142	142.6 Å²	142.6	76%	0.759	72%	0.72	S	S	*	*				-153.3	179.1	57.5	-92.2	-44	0	0	0	115.1
57	T	32.8	Very low	32.9	Very low	127 Å²	127	146.4 Å²	146.4	78%	0.779	72%	0.721	S	S	*	*			trans	-105.9	-175.3	-176.6	44.4	0	0	0	0	112.2
58	P	50	Low	32.8	Very low	105 Å²	105	144.3 Å²	144.3	68%	0.682	71%	0.712	S	S	*	*			cis	-125.5	-155.4	10	36	-10.8	0	0	0	112.5
59	E	32.2	Very low	33	Very low	157 Å²	157	146 Å²	146	73%	0.734	71%	0.712	S	S	*	*			cis	-159.7	167.5	16.7	-157.2	144.1	-131.1	0	0	112.3
60	E	32.6	Very low	33.1	Very low	186 Å²	186	146 Å²	146	87%	0.869	71%	0.711	S	S	*	*			trans	7.8	148.7	166.6	-64.8	177	165.8	0	0	122.4
61	G	29	Very low	33.1	Very low	69 Å²	69	146.3 Å²	146.3	71%	0.711	72%	0.717	S	S	*	*			cis	179.4	163.6	1.5	0	0	0	0	0	114.2
62	E	35	Very low	33.2	Very low	142 Å²	142	142.9 Å²	142.9	66%	0.664	71%	0.713	S	S	*	*			trans	-9.6	151.5	158.1	-67.2	-162.3	140.7	0	0	120.1	R64	E62-R64 IonicContact OE1-CZ 2.82Å; E62-R64 IonicContact OE1-NE 3.63Å; E62-R64 PolarHBondContact OE1-NE 3.45Å; E62-R64 IonicContact OE1-NH2 2.82Å; E62-R64 PolarHBondContact OE1-NH2 2.96Å; E62-R64 IonicContact OE2-CZ 3.31Å; E62-R64 IonicContact OE2-NH2 3.27Å; E62-R64 PolarHBondContact OE2-NH2 2.75Å
63	L	36	Very low	32.9	Very low	135 Å²	135	145.5 Å²	145.5	71%	0.707	72%	0.716	S	S	*	*			cis	-144.2	167.8	29.5	-61.9	158.4	0	0	0	110.4
64	R	32.6	Very low	32.1	Very low	176 Å²	176	147.5 Å²	147.5	66%	0.664	72%	0.721	S	S	*	*			cis	-162.8	-148.8	-28.7	-98.5	-175.1	-166.2	157.4	10	104.5	E62	E62-R64 IonicContact OE1-CZ 2.82Å; E62-R64 IonicContact OE1-NE 3.63Å; E62-R64 PolarHBondContact OE1-NE 3.45Å; E62-R64 IonicContact OE1-NH2 2.82Å; E62-R64 PolarHBondContact OE1-NH2 2.96Å; E62-R64 IonicContact OE2-CZ 3.31Å; E62-R64 IonicContact OE2-NH2 3.27Å; E62-R64 PolarHBondContact OE2-NH2 2.75Å
65	D	33.1	Very low	32.2	Very low	113 Å²	113	144.6 Å²	144.6	60%	0.604	72%	0.721	S	S	*	*			cis	-164.8	173.2	8.3	-152	13.1	0	0	0	114.7
66	Q	35.4	Very low	33	Very low	125 Å²	125	138.9 Å²	138.9	58%	0.584	71%	0.713	S	S	*	*			trans	7	133.3	158.4	-74.3	175.2	93.2	0	0	120.8
67	R	32.6	Very low	32.9	Very low	190 Å²	190	142.1 Å²	142.1	72%	0.717	72%	0.716	S	S	*	*			cis	-166.3	179.7	15.3	-95.4	164.3	-172.8	-77.5	-9.3	107.7
68	M	27.6	Very low	32.7	Very low	130 Å²	130	141.3 Å²	141.3	64%	0.64	71%	0.711	S	S	*	*			cis	-171.7	-175.9	-8.2	-104.9	163.3	75.4	0	0	105.4
69	E	30.2	Very low	31.7	Very low	149 Å²	149	147.7 Å²	147.7	70%	0.696	72%	0.721	S	S	*	*			cis	-175	164.4	-43.9	-169.5	175.7	-132.9	0	0	107
70	I	29.6	Very low	31.5	Very low	140 Å²	140	148.5 Å²	148.5	72%	0.718	73%	0.725	S	S	*	*			trans	76	140.3	171.5	-56.8	-178.4	0	0	0	117.2
71	T	28.4	Very low	31.2	Very low	106 Å²	106	146.5 Å²	146.5	65%	0.65	72%	0.72	S	S	*	*			cis	-163.3	137.2	-35.8	43.8	0	0	0	0	112.8
72	I	31.5	Very low	31.2	Very low	143 Å²	143	147.9 Å²	147.9	73%	0.733	72%	0.719	S	S	*	*			trans	71.7	110.7	131	-62.7	171.7	0	0	0	123.3
73	R	26.9	Very low	31	Very low	219 Å²	219	147.7 Å²	147.7	83%	0.826	73%	0.728	S	S	*	*				58.8	146.2	129.5	-72.2	-174	169.3	162.5	-4.4	126.8
74	N	27.9	Very low	30.7	Very low	154 Å²	154	150.3 Å²	150.3	82%	0.824	74%	0.736	S	S	*	*			trans	109.4	140.4	131.7	-84.5	8.4	0	0	0	122.4
75	S	33.5	Very low	30.6	Very low	106 Å²	106	147.4 Å²	147.4	74%	0.741	73%	0.734	S	S	*	*			trans	-107.5	-177.1	162.5	-147.1	0	0	0	0	107.6
76	P	47.3	Very low	30.4	Very low	102 Å²	102	152.5 Å²	152.5	66%	0.662	75%	0.745	S	S	*	*			cis	-152.6	-174.4	20.7	41.8	-17.7	0	0	0	119.9
77	Y	27.8	Very low	30	Very low	211 Å²	211	149.3 Å²	149.3	83%	0.827	75%	0.745	S	S	*	*			trans	77.7	140	136.9	-102.4	-50	0	0	0	126.1
78	V	27.8	Very low	30	Very low	110 Å²	110	149 Å²	149	67%	0.667	75%	0.752	S	S	*	*			trans	48.7	123.8	157.3	-116.6	0	0	0	0	122.7
79	R	28.3	Very low	30.1	Very low	238 Å²	238	151.1 Å²	151.1	90%	0.898	76%	0.76	S	S	*	*				-176.5	172.6	99.7	-110.7	-169.7	173	90.1	2.2	115
80	E	28.5	Very low	30.2	Very low	174 Å²	174	151.2 Å²	151.2	81%	0.813	77%	0.765	S	S	*	*			trans	-107.8	-166.7	-175.7	-61.9	170.6	114.3	0	0	112.1
81	D	26.9	Very low	30.4	Very low	145 Å²	145	152.1 Å²	152.1	78%	0.775	77%	0.766	S	S	*	*			trans	83.5	100.6	159.7	-72.5	-27.7	0	0	0	122.6
82	S	28	Very low	30.6	Very low	98 Å²	98	150.7 Å²	150.7	69%	0.685	76%	0.761	S	S	*	*				86.7	169.3	112.5	83.1	0	0	0	0	122.6
83	T	30.3	Very low	30.7	Very low	138 Å²	138	151.3 Å²	151.3	85%	0.847	77%	0.765	S	S	*	*			trans	78.8	117.6	164.4	50.6	0	0	0	0	121.8
84	E	30	Very low	30.9	Very low	189 Å²	189	145.1 Å²	145.1	88%	0.883	76%	0.761	S	S	*	*			trans	-58.3	162.5	168.3	-59.1	169.3	120.1	0	0	117.7
85	D	30.8	Very low	31.2	Very low	116 Å²	116	145.4 Å²	145.4	62%	0.62	76%	0.761	S	S	*	*			trans	83	142	135	-161.7	42.6	0	0	0	123.2
86	R	29.1	Very low	31.1	Very low	220 Å²	220	149.8 Å²	149.8	83%	0.83	77%	0.766	S	S	*	*			trans	54.4	155.2	169.3	-79.9	162.9	171.3	93.6	0.6	118.8
87	G	27.4	Very low	30.4	Very low	57 Å²	57	150.4 Å²	150.4	59%	0.588	77%	0.77	S	S	*	*			cis	157.4	139.2	-7	0	0	0	0	0	111.6
88	E	31.5	Very low	30.7	Very low	184 Å²	184	146.2 Å²	146.2	86%	0.86	77%	0.769	S	S	*	*			trans	61.7	155.4	173.1	-72.5	123.8	-146.4	0	0	116.3
89	E	30.9	Very low	31	Very low	174 Å²	174	150 Å²	150	81%	0.813	78%	0.779	S	S	*	*			cis	-151.9	-175.1	2.2	-132.8	165.3	-147.5	0	0	112.7
90	D	31.4	Very low	31.3	Very low	152 Å²	152	147.6 Å²	147.6	81%	0.813	78%	0.778	S	S	*	*			trans	-52.8	170.4	-172.7	-77.1	-43.8	0	0	0	119.1
91	E	33.3	Very low	31.5	Very low	158 Å²	158	145.6 Å²	145.6	74%	0.738	78%	0.778	S	S	*	*			cis	-144.9	-162.6	0.7	-137	-128.7	-38.2	0	0	108	L93	E91-L93 PolarHBondContact OE2-N 3.07Å
92	S	33.8	Very low	32.1	Very low	76 Å²	76	142.8 Å²	142.8	53%	0.531	78%	0.775	S	S	.	*			cis	-155.6	154.9	10.3	-169.9	0	0	0	0	114.1
93	L	33.9	Very low	32.4	Very low	157 Å²	157	149.2 Å²	149.2	82%	0.822	78%	0.784	S	S	*	*			trans	136	139.1	136.5	-75.6	177.6	0	0	0	116.6	E91	E91-L93 PolarHBondContact OE2-N 3.07Å
94	A	31	Very low	33.2	Very low	89 Å²	89	152.2 Å²	152.2	74%	0.736	79%	0.785	S	S	*	*			trans	-71.4	170.5	-172.9	0	0	0	0	0	113.6
95	I	33.7	Very low	33.6	Very low	160 Å²	160	149.3 Å²	149.3	82%	0.821	78%	0.776	S	S	*	*			cis	-148	142.7	32.8	-60	166.9	0	0	0	111.7
96	K	31.4	Very low	34.1	Very low	197 Å²	197	153.2 Å²	153.2	86%	0.857	79%	0.787	S	S	*	*			trans	-131.8	134.1	160.6	-79.5	-179.4	179.5	169.3	0	111.4
97	P	31.9	Very low	34.7	Very low	115 Å²	115	148.1 Å²	148.1	75%	0.747	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-78.5	162.5	158.3	33.1	-31.8	0	0	0	111.2
98	P	34.4	Very low	35.4	Very low	123 Å²	123	152.1 Å²	152.1	80%	0.799	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-98.6	161	-145.6	36.3	-37.8	0	0	0	116.6
99	Q	35.1	Very low	36	Very low	191 Å²	191	150.2 Å²	150.2	89%	0.893	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-102.5	140.2	148.1	-72.6	-176.2	-23.2	0	0	109.1
100	Q	34.1	Very low	36.6	Very low	186 Å²	186	152 Å²	152	87%	0.869	77%	0.774	S	S	*	*			trans	-137.6	132.7	153	-84.2	-160.3	-7.6	0	0	112.1
101	V	33.1	Very low	37.2	Very low	133 Å²	133	152.4 Å²	152.4	81%	0.806	77%	0.768	S	S	*	*			trans	-1.2	113.8	163.1	-76.9	0	0	0	0	120.4
102	A	38.5	Very low	37.6	Very low	86 Å²	86	149.4 Å²	149.4	71%	0.711	75%	0.754	S	S	*	*				30.6	124.2	125.4	0	0	0	0	0	121.2
103	R	35	Very low	38.2	Very low	233 Å²	233	152.3 Å²	152.3	88%	0.879	76%	0.759	S	S	*	*				-165	135.8	118.8	-100	149	-165.7	-148	3.4	113.8	D105	R103-D105 VanDerWaalsContact C-N 3.32Å; R103-D105 PolarHBondContact O-N 2.93Å
104	K	46.2	Very low	38.9	Very low	201 Å²	201	149.2 Å²	149.2	87%	0.874	74%	0.739	S	S	*	*			trans	30.7	-5.5	147.8	-120	172.4	179.5	178.2	0	125.3	K106	K104-K106 PolarHBondContact O-N 2.65Å
105	D	38.3	Very low	39.6	Very low	128 Å²	128	154.5 Å²	154.5	68%	0.684	74%	0.74	S	S	*	*			trans	-104.4	79.4	-167.5	-76.6	-65.5	0	0	0	116.4	R103	R103-D105 VanDerWaalsContact C-N 3.32Å; R103-D105 PolarHBondContact O-N 2.93Å
106	K	41.4	Very low	40.1	Very low	197 Å²	197	153 Å²	153	86%	0.857	73%	0.728	S	S	*	*	S	Bend	trans	-135.3	-7	165.6	-75.2	-168.9	176.9	176.4	0	116.3	K104	K104-K106 PolarHBondContact O-N 2.65Å
107	T	43.3	Very low	40.7	Very low	113 Å²	113	148.3 Å²	148.3	69%	0.693	71%	0.712	S	S	*	*	S	Bend	trans	-85.3	-26.5	176.8	43.9	0	0	0	0	113.5
108	H	42.1	Very low	41.3	Very low	141 Å²	141	148.6 Å²	148.6	65%	0.653	70%	0.701	S	S	*	*	H	α-helix	trans	-72.1	-45.9	-174.6	-114.2	-112.3	0	0	0	114.1	R110 K111 E112	H108-R110 VanDerWaalsContact C-N 3.26Å; H108-R110 PolarHBondContact O-N 2.83Å; H108-R110 VanDerWaalsContact O-N 3.16Å; H108-K111 PolarHBondContact O-N 3.45Å; H108-E112 PolarHBondContact O-N 2.95Å; H108-E112 VanDerWaalsContact O-N 3.07Å
109	H	43.5	Very low	41.7	Very low	145 Å²	145	152.8 Å²	152.8	67%	0.671	70%	0.701	S	S	*	*	H	α-helix	trans	-61	-33.1	-170.5	-157.8	-27	0	0	0	113.3	E112 E113	H109-E112 PolarHBondContact O-N 3.08Å; H109-E113 PolarHBondContact O-N 2.92Å
110	R	42.8	Very low	42.2	Very low	210 Å²	210	152.8 Å²	152.8	79%	0.792	69%	0.693	S	S	*	*	H	α-helix	trans	-77	-26.4	178.3	-162	176	-177.8	-163.7	-2.5	113.3	H108	H108-R110 VanDerWaalsContact C-N 3.26Å; H108-R110 PolarHBondContact O-N 2.83Å; H108-R110 VanDerWaalsContact O-N 3.16Å
111	K	45.3	Very low	42.7	Very low	162 Å²	162	152 Å²	152	70%	0.704	69%	0.689	S	S	*	*	H	α-helix	trans	-77.1	-31.4	170.1	-84.2	-167.1	173	-173.6	0	112	H108 R115	H108-K111 PolarHBondContact O-N 3.45Å; K111-R115 PolarHBondContact O-N 2.89Å; K111-R115 VanDerWaalsContact O-N 3.14Å
112	E	41.8	Very low	43.2	Very low	94 Å²	94	156.9 Å²	156.9	44%	0.439	69%	0.693	S	S	.	*	H	α-helix	trans	-69.6	-38.4	177.4	-156.4	-164.3	133.2	0	0	112.6	H108 H109 R115 K116	H108-E112 PolarHBondContact O-N 2.95Å; H108-E112 VanDerWaalsContact O-N 3.07Å; H109-E112 PolarHBondContact O-N 3.08Å; E112-R115 PolarHBondContact O-N 2.89Å; E112-K116 PolarHBondContact O-N 3.11Å; E112-K116 WeakPolarHBondContact OE1-CE 3.38Å; E112-K116 IonicContact OE1-NZ 2.63Å; E112-K116 PolarHBondContact OE1-NZ 2.81Å
113	E	46.2	Very low	43.4	Very low	137 Å²	137	156.6 Å²	156.6	64%	0.64	69%	0.686	S	S	*	*	H	α-helix	trans	-64.2	-47.4	177.1	-163.8	169.5	-136.6	0	0	111.6	H109 R115 K116 D117	H109-E113 PolarHBondContact O-N 2.92Å; E113-R115 VanDerWaalsContact C-N 3.26Å; E113-R115 PolarHBondContact O-N 2.65Å; E113-K116 PolarHBondContact O-N 2.71Å; E113-K116 VanDerWaalsContact O-N 3.07Å; E113-D117 PolarHBondContact O-N 2.68Å
114	K	47.3	Very low	43.7	Very low	92 Å²	92	153.1 Å²	153.1	40%	0.4	68%	0.679	S	S	.	*	H	α-helix	trans	-54.4	-38.7	169.8	-93.9	-163.4	167.3	-161.7	0	112.5	K118 E327 E328	K114-K118 PolarHBondContact O-N 3.21Å; K114-E327 IonicContact NZ-OE1 2.71Å; K114-E327 PolarHBondContact NZ-OE1 2.94Å; K114-E327 IonicContact NZ-OE2 2.7Å; K114-E327 PolarHBondContact NZ-OE2 2.98Å; K114-E328 IonicContact NZ-OE1 2.62Å; K114-E328 PolarHBondContact NZ-OE1 2.88Å
115	R	45.5	Very low	43.5	Very low	201 Å²	201	149.6 Å²	149.6	76%	0.758	68%	0.68	S	S	*	*	H	α-helix	trans	-71.5	-28.5	177.2	-89.2	-176.6	162.4	154.7	-2.7	113.9	K111 E112 E113 R119	K111-R115 PolarHBondContact O-N 2.89Å; K111-R115 VanDerWaalsContact O-N 3.14Å; E112-R115 PolarHBondContact O-N 2.89Å; E113-R115 VanDerWaalsContact C-N 3.26Å; E113-R115 PolarHBondContact O-N 2.65Å; R115-R119 PolarHBondContact O-N 3.41Å
116	K	44.8	Very low	43.7	Very low	128 Å²	128	147.8 Å²	147.8	56%	0.557	68%	0.683	S	S	*	*	H	α-helix	trans	-71.3	-39	174.4	-87.9	164.7	172.6	157.4	0	112.4	E112 E113 R119 R120	E112-K116 PolarHBondContact O-N 3.11Å; E112-K116 WeakPolarHBondContact OE1-CE 3.38Å; E112-K116 IonicContact OE1-NZ 2.63Å; E112-K116 PolarHBondContact OE1-NZ 2.81Å; E113-K116 PolarHBondContact O-N 2.71Å; E113-K116 VanDerWaalsContact O-N 3.07Å; K116-R119 PolarHBondContact O-N 2.83Å; K116-R120 PolarHBondContact O-N 3.19Å
117	D	43.7	Very low	43.4	Very low	98 Å²	98	148.1 Å²	148.1	52%	0.524	69%	0.688	S	S	.	*	H	α-helix	trans	-74.5	-40.9	177.1	-96.1	-3.6	0	0	0	113.4	E113 R119 R120 H121	E113-D117 PolarHBondContact O-N 2.68Å; D117-R119 PolarHBondContact O-N 3.48Å; D117-R119 VanDerWaalsContact O-N 3.14Å; D117-R120 PolarHBondContact O-N 3.36Å; D117-H121 PolarHBondContact O-N 2.93Å
118	K	45.5	Very low	43.5	Very low	121 Å²	121	146.7 Å²	146.7	53%	0.526	70%	0.695	S	S	.	*	H	α-helix	trans	-56.5	-30.3	170.7	-89.4	-171.8	172.7	178.7	0	112.1	K114 E328	K114-K118 PolarHBondContact O-N 3.21Å; K118-E328 WeakPolarHBondContact CE-OE2 3.41Å; K118-E328 IonicContact NZ-OE2 2.7Å; K118-E328 PolarHBondContact NZ-OE2 3.38Å
119	R	43.2	Very low	43.5	Very low	212 Å²	212	145 Å²	145	80%	0.8	71%	0.705	S	S	*	*	H	α-helix	trans	-77.3	-23.8	176.1	-152.7	172.4	-168	176.1	4.3	114.1	R115 K116 D117	R115-R119 PolarHBondContact O-N 3.41Å; K116-R119 PolarHBondContact O-N 2.83Å; D117-R119 PolarHBondContact O-N 3.48Å; D117-R119 VanDerWaalsContact O-N 3.14Å
120	R	45.7	Very low	43.3	Very low	191 Å²	191	141.1 Å²	141.1	72%	0.721	71%	0.705	S	S	*	*	H	α-helix	trans	-77	-25.4	173.1	-73.4	-178.9	168.7	-153.2	-5.1	113.3	K116 D117	K116-R120 PolarHBondContact O-N 3.19Å; D117-R120 PolarHBondContact O-N 3.36Å
121	H	43.4	Very low	43.4	Very low	169 Å²	169	135.3 Å²	135.3	78%	0.782	71%	0.711	S	S	*	*	H	α-helix	trans	-82.2	-16.2	179.1	-87.4	-82.9	0	0	0	114.9	D117	D117-H121 PolarHBondContact O-N 2.93Å
122	R	44	Very low	43.6	Very low	235 Å²	235	136.7 Å²	136.7	89%	0.887	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	1.2	-178.4	-107	-178.5	179.5	174.4	1.3	115.7
123	S	42.2	Very low	43.6	Very low	81 Å²	81	139.3 Å²	139.3	57%	0.566	73%	0.729	S	S	*	*	S	Bend	trans	-112.3	26	-173	68	0	0	0	0	115.6
124	H	42.2	Very low	43.6	Very low	159 Å²	159	137.6 Å²	137.6	74%	0.736	73%	0.727	S	S	*	*	S	Bend	trans	-138.9	37.4	176.8	-81.1	-52.1	0	0	0	113.8
125	S	40.7	Very low	43.6	Very low	127 Å²	127	143.3 Å²	143.3	89%	0.888	75%	0.746	S	S	*	*			trans	-135.3	63.1	167.3	-67.7	0	0	0	0	111.2
126	A	42.5	Very low	43.9	Very low	90 Å²	90	137.8 Å²	137.8	74%	0.744	74%	0.735	S	S	*	*			trans	-141.7	150.8	159.2	0	0	0	0	0	107.4
127	E	35.9	Very low	44	Very low	205 Å²	205	138.1 Å²	138.1	96%	0.958	74%	0.736	S	S	*	*			trans	71	122.8	-170.4	-54.1	-170.6	158.9	0	0	116
128	G	45.1	Very low	44.5	Very low	83 Å²	83	137.7 Å²	137.7	86%	0.856	73%	0.734	S	S	*	*			trans	-117	118.1	176.8	0	0	0	0	0	111.9
129	A	42	Very low	45.1	Very low	104 Å²	104	138 Å²	138	86%	0.86	74%	0.735	S	S	*	*			trans	-157.9	135.9	166.4	0	0	0	0	0	112.3
130	G	39	Very low	45.8	Very low	65 Å²	65	134.3 Å²	134.3	67%	0.67	73%	0.727	S	S	*	*			trans	69.1	106.2	154.5	0	0	0	0	0	118.5	K132	G130-K132 PolarHBondContact O-N 2.78Å
131	G	45.6	Very low	46.5	Very low	88 Å²	88	132.4 Å²	132.4	91%	0.907	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	39.8	174.9	0	0	0	0	0	117.1
132	K	48.7	Very low	47.3	Very low	190 Å²	190	130.8 Å²	130.8	83%	0.826	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.8	-22.5	175.1	-72.1	-177.2	177.8	176.3	0	114	G130	G130-K132 PolarHBondContact O-N 2.78Å
133	H	42.3	Very low	48.4	Very low	150 Å²	150	128.1 Å²	128.1	69%	0.694	71%	0.707	S	S	*	*	S	Bend	trans	-79.1	-24.9	-170.2	-126	-69.3	0	0	0	115.5	R135 V136	H133-R135 VanDerWaalsContact C-N 3.33Å; H133-R135 PolarHBondContact O-N 2.67Å; H133-V136 PolarHBondContact O-N 2.98Å
134	V	46.8	Very low	49.5	Very low	101 Å²	101	127.3 Å²	127.3	61%	0.612	70%	0.696	S	S	*	*	H	α-helix	trans	-56.3	-46	-178.2	-179.1	0	0	0	0	111.6	V136 K137 D138	V134-V136 PolarHBondContact O-N 3.49Å; V134-K137 PolarHBondContact O-N 3.36Å; V134-D138 PolarHBondContact O-N 3.37Å
135	R	45.8	Very low	50.6	Low	212 Å²	212	123.5 Å²	123.5	80%	0.8	69%	0.687	S	S	*	*	H	α-helix	trans	-66.9	-9.1	-173.7	-153.5	175	-171.5	178.5	2.9	114.7	H133	H133-R135 VanDerWaalsContact C-N 3.33Å; H133-R135 PolarHBondContact O-N 2.67Å
136	V	51.9	Low	52.1	Low	85 Å²	85	120.8 Å²	120.8	52%	0.515	66%	0.663	S	S	.	*	H	α-helix	trans	-90.5	-42.3	171.6	-176.5	0	0	0	0	110.6	H133 V134 D138 K139 E140	H133-V136 PolarHBondContact O-N 2.98Å; V134-V136 PolarHBondContact O-N 3.49Å; V136-D138 VanDerWaalsContact C-N 3.31Å; V136-D138 PolarHBondContact O-N 2.9Å; V136-K139 PolarHBondContact O-N 3.27Å; V136-E140 PolarHBondContact O-N 3.12Å; V136-E140 VanDerWaalsContact O-N 3.12Å
137	K	47.8	Very low	53.4	Low	134 Å²	134	124.9 Å²	124.9	58%	0.583	66%	0.659	S	S	*	*	H	α-helix	trans	-64.3	-34.3	-176.5	-152.9	167.7	-172.2	172.1	0	112.3	V134 E140 K141	V134-K137 PolarHBondContact O-N 3.36Å; K137-E140 PolarHBondContact O-N 2.98Å; K137-K141 PolarHBondContact O-N 3.36Å
138	D	54.1	Low	54.9	Low	90 Å²	90	123.4 Å²	123.4	48%	0.481	65%	0.645	S	S	.	*	H	α-helix	trans	-71.2	-40.5	174.6	-63.8	-38.1	0	0	0	112.7	V134 V136 E140 K141 E142	V134-D138 PolarHBondContact O-N 3.37Å; V136-D138 VanDerWaalsContact C-N 3.31Å; V136-D138 PolarHBondContact O-N 2.9Å; D138-E140 PolarHBondContact O-N 2.99Å; D138-K141 PolarHBondContact O-N 3.35Å; D138-E142 WeakPolarHBondContact O-CB 3.23Å; D138-E142 PolarHBondContact O-N 2.9Å
139	K	57.5	Low	56.3	Low	126 Å²	126	124.8 Å²	124.8	55%	0.548	63%	0.627	S	S	.	*	H	α-helix	trans	-63.1	-28.6	174.3	-78.1	-173.2	171	-173.2	0	112.7	V136 R143	V136-K139 PolarHBondContact O-N 3.27Å; K139-R143 WeakPolarHBondContact O-CB 3.5Å; K139-R143 WeakPolarHBondContact O-CD 3.45Å; K139-R143 WeakPolarHBondContact O-CG 3.26Å; K139-R143 PolarHBondContact O-N 3.01Å; K139-R143 VanDerWaalsContact O-N 3.15Å
140	E	58.9	Low	57.7	Low	136 Å²	136	127 Å²	127	64%	0.636	61%	0.613	S	S	*	*	H	α-helix	trans	-75.8	-42.9	176	-168.2	159.5	-134.3	0	0	111.9	V136 K137 D138 E142 R143 D144	V136-E140 PolarHBondContact O-N 3.12Å; V136-E140 VanDerWaalsContact O-N 3.12Å; K137-E140 PolarHBondContact O-N 2.98Å; D138-E140 PolarHBondContact O-N 2.99Å; E140-E142 VanDerWaalsContact C-N 3.34Å; E140-E142 PolarHBondContact O-N 3.16Å; E140-R143 PolarHBondContact O-N 2.72Å; E140-D144 PolarHBondContact O-N 2.9Å
141	K	59.1	Low	59.2	Low	151 Å²	151	132.8 Å²	132.8	66%	0.657	62%	0.615	S	S	*	*	H	α-helix	trans	-58	-43.6	169.3	-78.6	-177.6	172.6	-179.5	0	112.5	K137 D138 D144 S145	K137-K141 PolarHBondContact O-N 3.36Å; D138-K141 PolarHBondContact O-N 3.35Å; K141-D144 PolarHBondContact O-N 2.93Å; K141-S145 WeakPolarHBondContact O-CB 3.34Å; K141-S145 PolarHBondContact O-N 2.84Å
142	E	62.2	Low	60.6	Low	135 Å²	135	136.3 Å²	136.3	63%	0.631	60%	0.601	S	S	*	*	H	α-helix	trans	-59.4	-46.4	177.3	-174.1	173.9	-136.1	0	0	111	D138 E140 D144 S145 D146	D138-E142 WeakPolarHBondContact O-CB 3.23Å; D138-E142 PolarHBondContact O-N 2.9Å; E140-E142 VanDerWaalsContact C-N 3.34Å; E140-E142 PolarHBondContact O-N 3.16Å; E142-D144 PolarHBondContact O-N 3.39Å; E142-S145 WeakPolarHBondContact O-CB 3.09Å; E142-S145 PolarHBondContact O-N 2.83Å; E142-D146 PolarHBondContact O-N 2.81Å
143	R	65.4	Low	61.8	Low	179 Å²	179	131.8 Å²	131.8	68%	0.675	58%	0.583	S	S	*	*	H	α-helix	trans	-63.7	-36.1	176.3	-75	167.2	172.6	-168.9	-5.2	113.8	K139 E140 R147	K139-R143 WeakPolarHBondContact O-CB 3.5Å; K139-R143 WeakPolarHBondContact O-CD 3.45Å; K139-R143 WeakPolarHBondContact O-CG 3.26Å; K139-R143 PolarHBondContact O-N 3.01Å; K139-R143 VanDerWaalsContact O-N 3.15Å; E140-R143 PolarHBondContact O-N 2.72Å; R143-R147 WeakPolarHBondContact O-CG 3.48Å; R143-R147 PolarHBondContact O-N 3.01Å; R143-R147 VanDerWaalsContact O-N 3.1Å
144	D	66.3	Low	63.4	Low	63 Å²	63	130.6 Å²	130.6	34%	0.337	58%	0.577	S	S	.	*	H	α-helix	trans	-74.7	-36.6	176.3	-165.3	58.1	0	0	0	112.2	E140 K141 E142 D146 R147 R148	E140-D144 PolarHBondContact O-N 2.9Å; K141-D144 PolarHBondContact O-N 2.93Å; E142-D144 PolarHBondContact O-N 3.39Å; D144-D146 VanDerWaalsContact C-N 3.3Å; D144-D146 PolarHBondContact O-N 3.25Å; D144-R147 WeakPolarHBondContact O-CB 3.48Å; D144-R147 PolarHBondContact O-N 2.93Å; D144-R148 WeakPolarHBondContact O-CG 3.25Å; D144-R148 PolarHBondContact O-N 2.93Å; D144-R148 IonicContact OD2-CZ 2.69Å; D144-R148 IonicContact OD2-NE 3.26Å; D144-R148 PolarHBondContact OD2-NE 3.09Å; D144-R148 IonicContact OD2-NH2 3.57Å; D144-R148 PolarHBondContact OD2-NH2 2.84Å
145	S	65.4	Low	64.6	Low	79 Å²	79	128.1 Å²	128.1	55%	0.552	56%	0.561	S	S	*	*	H	α-helix	trans	-56.5	-45.7	169.8	-170.4	0	0	0	0	111.4	K141 E142 R147 R148 K149	K141-S145 WeakPolarHBondContact O-CB 3.34Å; K141-S145 PolarHBondContact O-N 2.84Å; E142-S145 WeakPolarHBondContact O-CB 3.09Å; E142-S145 PolarHBondContact O-N 2.83Å; S145-R147 VanDerWaalsContact C-N 3.35Å; S145-R147 PolarHBondContact O-N 3.19Å; S145-R148 PolarHBondContact O-N 3.15Å; S145-K149 WeakPolarHBondContact O-CB 3.41Å; S145-K149 PolarHBondContact O-N 3.13Å
146	D	70.8	Confident	66	Low	71 Å²	71	122.9 Å²	122.9	38%	0.38	54%	0.544	S	S	.	.	H	α-helix	trans	-64.3	-36.6	177.6	-132.6	38.5	0	0	0	112.5	E142 D144 K149 R150	E142-D146 PolarHBondContact O-N 2.81Å; D144-D146 VanDerWaalsContact C-N 3.3Å; D144-D146 PolarHBondContact O-N 3.25Å; D146-K149 PolarHBondContact O-N 3.11Å; D146-R150 WeakPolarHBondContact O-CG 3.14Å; D146-R150 PolarHBondContact O-N 2.73Å; D146-R150 IonicContact OD2-NE 3.15Å; D146-R150 IonicContact OD2-NH2 2.77Å; D146-R150 PolarHBondContact OD2-NH2 2.98Å
147	R	70.3	Confident	67.3	Low	176 Å²	176	121.7 Å²	121.7	66%	0.664	54%	0.542	S	S	*	.	H	α-helix	trans	-66	-42.8	173	-75.5	171.2	173.5	-165.1	-2.1	112.4	R143 D144 S145 R151	R143-R147 WeakPolarHBondContact O-CG 3.48Å; R143-R147 PolarHBondContact O-N 3.01Å; R143-R147 VanDerWaalsContact O-N 3.1Å; D144-R147 WeakPolarHBondContact O-CB 3.48Å; D144-R147 PolarHBondContact O-N 2.93Å; S145-R147 VanDerWaalsContact C-N 3.35Å; S145-R147 PolarHBondContact O-N 3.19Å; R147-R151 PolarHBondContact O-N 2.8Å; R147-R151 VanDerWaalsContact O-N 3.13Å
148	R	67.3	Low	68.9	Low	174 Å²	174	121.4 Å²	121.4	66%	0.657	54%	0.538	S	S	*	.	H	α-helix	trans	-63.5	-42	175.2	-67.8	173.4	-163.9	-140.2	3.3	111.1	D144 S145 R151 W152	D144-R148 WeakPolarHBondContact O-CG 3.25Å; D144-R148 PolarHBondContact O-N 2.93Å; D144-R148 IonicContact OD2-CZ 2.69Å; D144-R148 IonicContact OD2-NE 3.26Å; D144-R148 PolarHBondContact OD2-NE 3.09Å; D144-R148 IonicContact OD2-NH2 3.57Å; D144-R148 PolarHBondContact OD2-NH2 2.84Å; S145-R148 PolarHBondContact O-N 3.15Å; R148-R151 PolarHBondContact O-N 3.46Å; R148-W152 PolarHBondContact O-N 2.66Å
149	K	74.4	Confident	69.8	Low	111 Å²	111	123.1 Å²	123.1	48%	0.483	54%	0.538	S	S	.	.	H	α-helix	trans	-60.6	-49.4	176.4	-178	-176.4	166.4	-164.9	0	112.1	S145 D146 R151 W152 E153	S145-K149 WeakPolarHBondContact O-CB 3.41Å; S145-K149 PolarHBondContact O-N 3.13Å; D146-K149 PolarHBondContact O-N 3.11Å; K149-R151 PolarHBondContact O-N 2.94Å; K149-W152 WeakPolarHBondContact O-CB 3.16Å; K149-W152 PolarHBondContact O-N 3.49Å; K149-W152 VanDerWaalsContact O-N 3.11Å; K149-E153 WeakPolarHBondContact CE-OE1 3.11Å; K149-E153 WeakPolarHBondContact O-CG 3.36Å; K149-E153 PolarHBondContact O-N 3.06Å
150	R	72.4	Confident	70.6	Confident	150 Å²	150	120.4 Å²	120.4	57%	0.566	53%	0.529	S	S	*	.	H	α-helix	trans	-59.2	-45.9	176.9	-69.8	177.3	-155.9	-153.9	3.8	112.2	D146 W152 E153 E154	D146-R150 WeakPolarHBondContact O-CG 3.14Å; D146-R150 PolarHBondContact O-N 2.73Å; D146-R150 IonicContact OD2-NE 3.15Å; D146-R150 IonicContact OD2-NH2 2.77Å; D146-R150 PolarHBondContact OD2-NH2 2.98Å; R150-W152 VanDerWaalsContact C-N 3.3Å; R150-W152 PolarHBondContact O-N 3.39Å; R150-E153 PolarHBondContact O-N 3.24Å; R150-E153 VanDerWaalsContact O-N 3.16Å; R150-E154 WeakPolarHBondContact O-CG 3.36Å; R150-E154 PolarHBondContact O-N 2.75Å
151	R	70.5	Confident	71.9	Confident	187 Å²	187	121.6 Å²	121.6	71%	0.706	53%	0.528	S	S	*	.	H	α-helix	trans	-57.2	-42.2	173.7	-78.2	-175.1	176.1	-86.5	5.7	111.9	R147 R148 K149 E154 D155	R147-R151 PolarHBondContact O-N 2.8Å; R147-R151 VanDerWaalsContact O-N 3.13Å; R148-R151 PolarHBondContact O-N 3.46Å; K149-R151 PolarHBondContact O-N 2.94Å; R151-E154 PolarHBondContact O-N 3.18Å; R151-D155 WeakPolarHBondContact O-CB 3.27Å; R151-D155 PolarHBondContact O-N 3.11Å
152	W	74.3	Confident	72.7	Confident	163 Å²	163	118 Å²	118	62%	0.617	51%	0.513	S	S	*	.	H	α-helix	trans	-66.1	-38.5	177	-175.3	92.6	0	0	0	112.7	R148 K149 R150 D155 K156	R148-W152 PolarHBondContact O-N 2.66Å; K149-W152 WeakPolarHBondContact O-CB 3.16Å; K149-W152 PolarHBondContact O-N 3.49Å; K149-W152 VanDerWaalsContact O-N 3.11Å; R150-W152 VanDerWaalsContact C-N 3.3Å; R150-W152 PolarHBondContact O-N 3.39Å; W152-D155 PolarHBondContact O-N 3.21Å; W152-K156 HydrophobicContact CH2-CD 3.97Å; W152-K156 HydrophobicContact CZ3-CD 3.97Å; W152-K156 VanDerWaalsContact O-CB 3.29Å; W152-K156 WeakPolarHBondContact O-CB 3.41Å; W152-K156 PolarHBondContact O-N 3.13Å
153	E	75.1	Confident	73.4	Confident	94 Å²	94	118.3 Å²	118.3	44%	0.439	51%	0.509	S	S	.	.	H	α-helix	trans	-66.8	-41.7	176.3	-70.8	171.7	166.8	0	0	111.7	K149 R150 K156 A157	K149-E153 WeakPolarHBondContact CE-OE1 3.11Å; K149-E153 WeakPolarHBondContact O-CG 3.36Å; K149-E153 PolarHBondContact O-N 3.06Å; R150-E153 PolarHBondContact O-N 3.24Å; R150-E153 VanDerWaalsContact O-N 3.16Å; E153-K156 PolarHBondContact O-N 2.86Å; E153-A157 WeakPolarHBondContact O-CB 3.5Å; E153-A157 PolarHBondContact O-N 3.26Å
154	E	74.6	Confident	74	Confident	126 Å²	126	115.2 Å²	115.2	59%	0.589	50%	0.502	S	S	*	.	H	α-helix	trans	-62.1	-45.4	171.1	-71.1	166.3	-175.4	0	0	112.2	R150 R151 K156 A157 R158	R150-E154 WeakPolarHBondContact O-CG 3.36Å; R150-E154 PolarHBondContact O-N 2.75Å; R151-E154 PolarHBondContact O-N 3.18Å; E154-K156 VanDerWaalsContact C-N 3.31Å; E154-K156 PolarHBondContact O-N 3.38Å; E154-A157 PolarHBondContact O-N 3.24Å; E154-R158 PolarHBondContact O-N 3.08Å
155	D	71.6	Confident	74.7	Confident	48 Å²	48	116.7 Å²	116.7	26%	0.257	51%	0.505	S	S	.	.	H	α-helix	trans	-69.3	-30.6	-178.8	-151.5	62.6	0	0	0	111.6	R151 W152 R158 R159	R151-D155 WeakPolarHBondContact O-CB 3.27Å; R151-D155 PolarHBondContact O-N 3.11Å; W152-D155 PolarHBondContact O-N 3.21Å; D155-R158 IonicContact OD1-CZ 2.7Å; D155-R158 IonicContact OD1-NH1 2.72Å; D155-R158 PolarHBondContact OD1-NH1 3.2Å; D155-R158 IonicContact OD1-NH2 3.17Å; D155-R158 PolarHBondContact OD1-NH2 3.27Å; D155-R159 WeakPolarHBondContact O-CG 3.49Å; D155-R159 PolarHBondContact O-N 3.23Å; D155-R159 PolarHBondContact O-NH1 2.87Å; D155-R159 IonicContact OD2-CZ 2.65Å; D155-R159 IonicContact OD2-NH1 3.33Å; D155-R159 PolarHBondContact OD2-NH1 3.26Å; D155-R159 IonicContact OD2-NH2 2.83Å; D155-R159 PolarHBondContact OD2-NH2 2.82Å
156	K	75.5	Confident	75.1	Confident	103 Å²	103	120.5 Å²	120.5	45%	0.448	51%	0.508	S	S	.	.	H	α-helix	trans	-68.8	-50.1	168.5	-177.3	-176	175.6	-170.8	0	111.1	W152 E153 E154 R158 R159 D160	W152-K156 HydrophobicContact CH2-CD 3.97Å; W152-K156 HydrophobicContact CZ3-CD 3.97Å; W152-K156 VanDerWaalsContact O-CB 3.29Å; W152-K156 WeakPolarHBondContact O-CB 3.41Å; W152-K156 PolarHBondContact O-N 3.13Å; E153-K156 PolarHBondContact O-N 2.86Å; E154-K156 VanDerWaalsContact C-N 3.31Å; E154-K156 PolarHBondContact O-N 3.38Å; K156-R158 VanDerWaalsContact C-N 3.27Å; K156-R158 PolarHBondContact O-N 2.82Å; K156-R159 PolarHBondContact O-N 2.95Å; K156-R159 VanDerWaalsContact O-N 3.09Å; K156-D160 PolarHBondContact O-N 2.64Å
157	A	79.1	Confident	75.3	Confident	59 Å²	59	123.9 Å²	123.9	49%	0.488	52%	0.515	S	S	.	.	H	α-helix	trans	-56.8	-39.7	179.5	0	0	0	0	0	112.2	E153 E154 D160 W161	E153-A157 WeakPolarHBondContact O-CB 3.5Å; E153-A157 PolarHBondContact O-N 3.26Å; E154-A157 PolarHBondContact O-N 3.24Å; A157-D160 PolarHBondContact O-N 3Å; A157-W161 WeakPolarHBondContact O-CB 3.29Å; A157-W161 PolarHBondContact O-N 3.19Å
158	R	81.2	Confident	75.6	Confident	128 Å²	128	121.6 Å²	121.6	48%	0.483	51%	0.512	S	S	.	.	H	α-helix	trans	-62.3	-45.6	174.6	-167.7	176.3	71.8	-100.2	-2.3	112.7	E154 D155 K156 D160 W161 E162	E154-R158 PolarHBondContact O-N 3.08Å; D155-R158 IonicContact OD1-CZ 2.7Å; D155-R158 IonicContact OD1-NH1 2.72Å; D155-R158 PolarHBondContact OD1-NH1 3.2Å; D155-R158 IonicContact OD1-NH2 3.17Å; D155-R158 PolarHBondContact OD1-NH2 3.27Å; K156-R158 VanDerWaalsContact C-N 3.27Å; K156-R158 PolarHBondContact O-N 2.82Å; R158-D160 PolarHBondContact O-N 3.33Å; R158-W161 PolarHBondContact O-N 3.39Å; R158-E162 PolarHBondContact O-N 2.95Å
159	R	73.4	Confident	75.9	Confident	127 Å²	127	118.8 Å²	118.8	48%	0.479	51%	0.506	S	S	.	.	H	α-helix	trans	-62.9	-40.5	176.8	-71.5	-179.1	-171.9	86.9	-0.6	112.2	D155 K156 E162 R163	D155-R159 WeakPolarHBondContact O-CG 3.49Å; D155-R159 PolarHBondContact O-N 3.23Å; D155-R159 PolarHBondContact O-NH1 2.87Å; D155-R159 IonicContact OD2-CZ 2.65Å; D155-R159 IonicContact OD2-NH1 3.33Å; D155-R159 PolarHBondContact OD2-NH1 3.26Å; D155-R159 IonicContact OD2-NH2 2.83Å; D155-R159 PolarHBondContact OD2-NH2 2.82Å; K156-R159 PolarHBondContact O-N 2.95Å; K156-R159 VanDerWaalsContact O-N 3.09Å; R159-E162 PolarHBondContact O-N 2.88Å; R159-R163 WeakPolarHBondContact O-CB 3.46Å; R159-R163 PolarHBondContact O-N 2.9Å
160	D	75.9	Confident	75.8	Confident	69 Å²	69	116.4 Å²	116.4	37%	0.369	51%	0.508	S	S	.	.	H	α-helix	trans	-73.8	-33	179.8	-71.9	-30.3	0	0	0	111.9	K156 A157 R158 R163 Q164	K156-D160 PolarHBondContact O-N 2.64Å; A157-D160 PolarHBondContact O-N 3Å; R158-D160 PolarHBondContact O-N 3.33Å; D160-R163 WeakPolarHBondContact O-CB 3.38Å; D160-R163 PolarHBondContact O-N 2.87Å; D160-R163 IonicContact OD1-NE 3.54Å; D160-R163 IonicContact OD1-NH2 3.47Å; D160-Q164 WeakPolarHBondContact O-CB 3.39Å; D160-Q164 PolarHBondContact O-N 2.91Å
161	W	84.3	Confident	76	Confident	161 Å²	161	116.6 Å²	116.6	61%	0.61	51%	0.508	S	S	*	.	H	α-helix	trans	-63.9	-43.1	168.8	-177	88.7	0	0	0	112.7	A157 R158 R163 Q164 K165	A157-W161 WeakPolarHBondContact O-CB 3.29Å; A157-W161 PolarHBondContact O-N 3.19Å; R158-W161 PolarHBondContact O-N 3.39Å; W161-R163 VanDerWaalsContact C-N 3.31Å; W161-R163 PolarHBondContact O-N 2.97Å; W161-Q164 WeakPolarHBondContact O-CB 3.49Å; W161-Q164 PolarHBondContact O-N 3.4Å; W161-K165 HydrophobicContact CE3-CD 4.48Å; W161-K165 HydrophobicContact CH2-CD 3.76Å; W161-K165 HydrophobicContact CZ2-CD 4.28Å; W161-K165 HydrophobicContact CZ3-CD 3.85Å; W161-K165 WeakPolarHBondContact O-CB 3.44Å; W161-K165 PolarHBondContact O-N 3.33Å
162	E	77.1	Confident	76.1	Confident	75 Å²	75	109.9 Å²	109.9	35%	0.35	49%	0.493	S	S	.	.	H	α-helix	trans	-60.6	-40.1	171.9	-80.3	-174.8	-148.2	0	0	112.6	R158 R159 Q164 K165 R166	R158-E162 PolarHBondContact O-N 2.95Å; R159-E162 PolarHBondContact O-N 2.88Å; E162-Q164 VanDerWaalsContact C-N 3.33Å; E162-K165 PolarHBondContact O-N 2.97Å; E162-R166 WeakPolarHBondContact O-CG 3.48Å; E162-R166 PolarHBondContact O-N 3.45Å; E162-R166 IonicContact OE2-CZ 2.75Å; E162-R166 IonicContact OE2-NH2 3.37Å; E162-R166 PolarHBondContact OE2-NH2 3.14Å
163	R	76.6	Confident	76	Confident	141 Å²	141	107.8 Å²	107.8	53%	0.532	49%	0.49	S	S	.	.	H	α-helix	trans	-65.8	-38	177.6	-160.8	-167.5	-57.3	-110.3	5.4	111.2	R159 D160 W161 R167	R159-R163 WeakPolarHBondContact O-CB 3.46Å; R159-R163 PolarHBondContact O-N 2.9Å; D160-R163 WeakPolarHBondContact O-CB 3.38Å; D160-R163 PolarHBondContact O-N 2.87Å; D160-R163 IonicContact OD1-NE 3.54Å; D160-R163 IonicContact OD1-NH2 3.47Å; W161-R163 VanDerWaalsContact C-N 3.31Å; W161-R163 PolarHBondContact O-N 2.97Å; R163-R167 VanDerWaalsContact O-CG 3.31Å; R163-R167 WeakPolarHBondContact O-CG 3.32Å; R163-R167 PolarHBondContact O-N 2.87Å
164	Q	78.2	Confident	75.9	Confident	114 Å²	114	106.9 Å²	106.9	53%	0.533	49%	0.494	S	S	.	.	H	α-helix	trans	-62.2	-51.8	172	-166.4	85.9	-41.6	0	0	110.6	D160 W161 E162 R166 R167 E168	D160-Q164 WeakPolarHBondContact O-CB 3.39Å; D160-Q164 PolarHBondContact O-N 2.91Å; W161-Q164 WeakPolarHBondContact O-CB 3.49Å; W161-Q164 PolarHBondContact O-N 3.4Å; E162-Q164 VanDerWaalsContact C-N 3.33Å; Q164-R166 PolarHBondContact O-N 3.49Å; Q164-R167 WeakPolarHBondContact O-CB 3.42Å; Q164-R167 PolarHBondContact O-N 3.41Å; Q164-R167 VanDerWaalsContact O-N 3.15Å; Q164-E168 PolarHBondContact O-N 2.95Å
165	K	80.8	Confident	75.9	Confident	95 Å²	95	110.3 Å²	110.3	41%	0.413	50%	0.501	S	S	.	.	H	α-helix	trans	-59.5	-44	-179.4	-173	174.9	-178.4	179.3	0	112.6	W161 E162 R167 E168 Q169	W161-K165 HydrophobicContact CE3-CD 4.48Å; W161-K165 HydrophobicContact CH2-CD 3.76Å; W161-K165 HydrophobicContact CZ2-CD 4.28Å; W161-K165 HydrophobicContact CZ3-CD 3.85Å; W161-K165 WeakPolarHBondContact O-CB 3.44Å; W161-K165 PolarHBondContact O-N 3.33Å; E162-K165 PolarHBondContact O-N 2.97Å; K165-R167 PolarHBondContact O-N 3.09Å; K165-E168 PolarHBondContact O-N 3.27Å; K165-Q169 WeakPolarHBondContact O-CG 3.41Å; K165-Q169 PolarHBondContact O-N 3.19Å
166	R	73.8	Confident	75.8	Confident	159 Å²	159	116.8 Å²	116.8	60%	0.6	52%	0.522	S	S	*	.	H	α-helix	trans	-62.6	-40.5	174.8	-75.5	-176	-114.7	-174.3	-7	112.6	E162 Q164 E168 A170	E162-R166 WeakPolarHBondContact O-CG 3.48Å; E162-R166 PolarHBondContact O-N 3.45Å; E162-R166 IonicContact OE2-CZ 2.75Å; E162-R166 IonicContact OE2-NH2 3.37Å; E162-R166 PolarHBondContact OE2-NH2 3.14Å; Q164-R166 PolarHBondContact O-N 3.49Å; R166-E168 VanDerWaalsContact C-N 3.34Å; R166-A170 WeakPolarHBondContact O-CB 3.38Å; R166-A170 PolarHBondContact O-N 3.27Å
167	R	74.6	Confident	75.3	Confident	141 Å²	141	115 Å²	115	53%	0.532	52%	0.515	S	S	.	.	H	α-helix	trans	-64.6	-37	174.5	-75.2	169.5	167	179.2	-4	112.3	R163 Q164 K165 R171	R163-R167 VanDerWaalsContact O-CG 3.31Å; R163-R167 WeakPolarHBondContact O-CG 3.32Å; R163-R167 PolarHBondContact O-N 2.87Å; Q164-R167 WeakPolarHBondContact O-CB 3.42Å; Q164-R167 PolarHBondContact O-N 3.41Å; Q164-R167 VanDerWaalsContact O-N 3.15Å; K165-R167 PolarHBondContact O-N 3.09Å; R167-R171 WeakPolarHBondContact O-CG 3.46Å; R167-R171 PolarHBondContact O-N 3.45Å; R167-R171 VanDerWaalsContact O-N 3.12Å
168	E	76.5	Confident	74.5	Confident	128 Å²	128	121.5 Å²	121.5	60%	0.598	53%	0.527	S	S	*	.	H	α-helix	trans	-71.1	-42.6	177.4	-172.5	160.3	-129.7	0	0	112.3	Q164 K165 R166 A170 R171 A172	Q164-E168 PolarHBondContact O-N 2.95Å; K165-E168 PolarHBondContact O-N 3.27Å; R166-E168 VanDerWaalsContact C-N 3.34Å; E168-A170 VanDerWaalsContact C-N 3.34Å; E168-A170 PolarHBondContact O-N 3.12Å; E168-R171 WeakPolarHBondContact O-CB 3.39Å; E168-R171 PolarHBondContact O-N 3Å; E168-A172 PolarHBondContact O-N 2.97Å
169	Q	73.4	Confident	73.6	Confident	115 Å²	115	124.4 Å²	124.4	54%	0.537	54%	0.538	S	S	.	.	H	α-helix	trans	-59	-42.7	171.8	-72.9	172.4	-40.5	0	0	112	K165 R171 A172 H173	K165-Q169 WeakPolarHBondContact O-CG 3.41Å; K165-Q169 PolarHBondContact O-N 3.19Å; Q169-R171 PolarHBondContact O-N 3.09Å; Q169-A172 PolarHBondContact O-N 3.41Å; Q169-H173 PolarHBondContact O-N 2.92Å
170	A	72	Confident	73	Confident	62 Å²	62	123.5 Å²	123.5	51%	0.512	54%	0.538	S	S	.	.	H	α-helix	trans	-62.7	-39.6	175.1	0	0	0	0	0	112.8	R166 E168 H173 S174	R166-A170 WeakPolarHBondContact O-CB 3.38Å; R166-A170 PolarHBondContact O-N 3.27Å; E168-A170 VanDerWaalsContact C-N 3.34Å; E168-A170 PolarHBondContact O-N 3.12Å; A170-H173 PolarHBondContact O-N 3.48Å; A170-S174 WeakPolarHBondContact O-CB 3.37Å; A170-S174 PolarHBondContact O-N 3.39Å
171	R	78.1	Confident	72.1	Confident	153 Å²	153	126.6 Å²	126.6	58%	0.577	55%	0.554	S	S	*	*	H	α-helix	trans	-65.5	-40.2	173	-71.3	165.5	178.4	154.7	-5.2	112.1	R167 E168 Q169 S174 R175	R167-R171 WeakPolarHBondContact O-CG 3.46Å; R167-R171 PolarHBondContact O-N 3.45Å; R167-R171 VanDerWaalsContact O-N 3.12Å; E168-R171 WeakPolarHBondContact O-CB 3.39Å; E168-R171 PolarHBondContact O-N 3Å; Q169-R171 PolarHBondContact O-N 3.09Å; R171-S174 PolarHBondContact O-N 2.9Å; R171-R175 WeakPolarHBondContact O-CB 3.49Å; R171-R175 WeakPolarHBondContact O-CG 3.49Å; R171-R175 PolarHBondContact O-N 3.21Å
172	A	71.6	Confident	70.7	Confident	47 Å²	47	126.4 Å²	126.4	39%	0.388	56%	0.559	S	S	.	*	H	α-helix	trans	-64.8	-39.9	175.9	0	0	0	0	0	111.8	E168 Q169 R175 R176	E168-A172 PolarHBondContact O-N 2.97Å; Q169-A172 PolarHBondContact O-N 3.41Å; A172-R175 PolarHBondContact O-N 3.36Å; A172-R176 WeakPolarHBondContact O-CG 3.34Å; A172-R176 PolarHBondContact O-N 3.46Å; A172-R176 VanDerWaalsContact O-N 3.08Å
173	H	73.3	Confident	69.6	Low	119 Å²	119	130.3 Å²	130.3	55%	0.551	58%	0.578	S	S	*	*	H	α-helix	trans	-61.1	-51.5	172.5	-167.8	-79.3	0	0	0	111.4	Q169 A170 R175 R176 E177	Q169-H173 PolarHBondContact O-N 2.92Å; A170-H173 PolarHBondContact O-N 3.48Å; H173-R175 VanDerWaalsContact C-N 3.29Å; H173-R175 PolarHBondContact O-N 2.94Å; H173-R176 WeakPolarHBondContact O-CB 3.46Å; H173-R176 PolarHBondContact O-N 2.95Å; H173-E177 PolarHBondContact O-N 2.66Å
174	S	72.9	Confident	68.4	Low	75 Å²	75	131.3 Å²	131.3	52%	0.524	59%	0.588	S	S	.	*	H	α-helix	trans	-56.8	-39.9	176.6	179.5	0	0	0	0	112.7	A170 R171 R176 R178	A170-S174 WeakPolarHBondContact O-CB 3.37Å; A170-S174 PolarHBondContact O-N 3.39Å; R171-S174 PolarHBondContact O-N 2.9Å; S174-R176 VanDerWaalsContact C-N 3.35Å; S174-R176 PolarHBondContact O-N 3.04Å; S174-R178 VanDerWaalsContact O-CB 3.32Å; S174-R178 WeakPolarHBondContact O-CB 3.22Å; S174-R178 PolarHBondContact O-N 3.29Å
175	R	73.9	Confident	66.7	Low	198 Å²	198	129.9 Å²	129.9	75%	0.747	59%	0.591	S	S	*	*	H	α-helix	trans	-66.2	-30.5	174.2	-75.8	178.3	174.9	-165.6	-2	113.7	R171 A172 H173 R179	R171-R175 WeakPolarHBondContact O-CB 3.49Å; R171-R175 WeakPolarHBondContact O-CG 3.49Å; R171-R175 PolarHBondContact O-N 3.21Å; A172-R175 PolarHBondContact O-N 3.36Å; H173-R175 VanDerWaalsContact C-N 3.29Å; H173-R175 PolarHBondContact O-N 2.94Å; R175-R179 PolarHBondContact O-N 3.49Å
176	R	69.1	Low	65.4	Low	184 Å²	184	130.4 Å²	130.4	69%	0.694	60%	0.604	S	S	*	*	H	α-helix	trans	-74.3	-47.3	175.1	-74.2	175.5	176.8	-173.9	-2.2	111.5	A172 H173 S174 R178 R179 K180	A172-R176 WeakPolarHBondContact O-CG 3.34Å; A172-R176 PolarHBondContact O-N 3.46Å; A172-R176 VanDerWaalsContact O-N 3.08Å; H173-R176 WeakPolarHBondContact O-CB 3.46Å; H173-R176 PolarHBondContact O-N 2.95Å; S174-R176 VanDerWaalsContact C-N 3.35Å; S174-R176 PolarHBondContact O-N 3.04Å; R176-R178 VanDerWaalsContact C-N 3.3Å; R176-R178 PolarHBondContact O-N 3.23Å; R176-R179 WeakPolarHBondContact O-CB 3.42Å; R176-R179 PolarHBondContact O-N 3.47Å; R176-K180 PolarHBondContact O-N 2.62Å; R176-K180 VanDerWaalsContact O-N 3.08Å
177	E	65.7	Low	64.2	Low	65 Å²	65	128.8 Å²	128.8	30%	0.304	61%	0.614	S	S	.	*	H	α-helix	trans	-61.4	-40	176.3	-62.5	-48.2	104.2	0	0	111.7	H173 R179 K180 L181	H173-E177 PolarHBondContact O-N 2.66Å; E177-R179 PolarHBondContact O-N 2.57Å; E177-K180 VanDerWaalsContact CD-NZ 3.34Å; E177-K180 PolarHBondContact O-N 2.82Å; E177-K180 VanDerWaalsContact OE1-CE 3.25Å; E177-K180 WeakPolarHBondContact OE1-CE 3.48Å; E177-K180 IonicContact OE1-NZ 3.66Å; E177-K180 PolarHBondContact OE1-NZ 2.69Å; E177-K180 IonicContact OE2-NZ 2.74Å; E177-K180 PolarHBondContact OE2-NZ 2.97Å; E177-L181 WeakPolarHBondContact O-CB 3.41Å; E177-L181 WeakPolarHBondContact O-CG 3.29Å; E177-L181 PolarHBondContact O-N 3.13Å
178	R	62.4	Low	62.8	Low	196 Å²	196	127.1 Å²	127.1	74%	0.74	62%	0.622	S	S	*	*	H	α-helix	trans	-67.3	-16.1	175.5	-153.2	174.5	-160.8	-117.9	5.7	114.1	S174 R176	S174-R178 VanDerWaalsContact O-CB 3.32Å; S174-R178 WeakPolarHBondContact O-CB 3.22Å; S174-R178 PolarHBondContact O-N 3.29Å; R176-R178 VanDerWaalsContact C-N 3.3Å; R176-R178 PolarHBondContact O-N 3.23Å
179	R	62	Low	61.7	Low	188 Å²	188	126.4 Å²	126.4	71%	0.709	64%	0.637	S	S	*	*	H	α-helix	trans	-83.4	-46.4	168	-84.3	-171.7	171.2	-168.1	-3	112	R175 R176 E177 L181 Q182 E183	R175-R179 PolarHBondContact O-N 3.49Å; R176-R179 WeakPolarHBondContact O-CB 3.42Å; R176-R179 PolarHBondContact O-N 3.47Å; E177-R179 PolarHBondContact O-N 2.57Å; R179-L181 VanDerWaalsContact C-N 3.26Å; R179-L181 PolarHBondContact O-N 3.44Å; R179-Q182 WeakPolarHBondContact O-CA 3.25Å; R179-Q182 WeakPolarHBondContact O-CB 3.27Å; R179-Q182 PolarHBondContact O-N 3.27Å; R179-E183 PolarHBondContact O-N 3.02Å
180	K	61.6	Low	60.7	Low	108 Å²	108	125.8 Å²	125.8	47%	0.47	64%	0.641	S	S	.	*	H	α-helix	trans	-54.1	-44.7	175.7	-67.1	177.9	-178.7	165.5	0	112	R176 E177 Q182 E183 H184	R176-K180 PolarHBondContact O-N 2.62Å; R176-K180 VanDerWaalsContact O-N 3.08Å; E177-K180 VanDerWaalsContact CD-NZ 3.34Å; E177-K180 PolarHBondContact O-N 2.82Å; E177-K180 VanDerWaalsContact OE1-CE 3.25Å; E177-K180 WeakPolarHBondContact OE1-CE 3.48Å; E177-K180 IonicContact OE1-NZ 3.66Å; E177-K180 PolarHBondContact OE1-NZ 2.69Å; E177-K180 IonicContact OE2-NZ 2.74Å; E177-K180 PolarHBondContact OE2-NZ 2.97Å; K180-Q182 PolarHBondContact O-N 3.45Å; K180-E183 PolarHBondContact O-N 3.42Å; K180-H184 PolarHBondContact O-N 3.09Å; K180-H184 PolarHBondContact O-ND1 3.26Å
181	L	55.4	Low	59.6	Low	135 Å²	135	127 Å²	127	71%	0.707	64%	0.644	S	S	*	*	H	α-helix	trans	-64.6	-14.3	176.1	-71.3	168.7	0	0	0	113.8	E177 R179	E177-L181 WeakPolarHBondContact O-CB 3.41Å; E177-L181 WeakPolarHBondContact O-CG 3.29Å; E177-L181 PolarHBondContact O-N 3.13Å; R179-L181 VanDerWaalsContact C-N 3.26Å; R179-L181 PolarHBondContact O-N 3.44Å
182	Q	55.5	Low	58.2	Low	156 Å²	156	130.7 Å²	130.7	73%	0.729	66%	0.658	S	S	*	*	H	α-helix	trans	-98	-17.1	177.7	-166	165.8	22.5	0	0	112.8	R179 K180	R179-Q182 WeakPolarHBondContact O-CA 3.25Å; R179-Q182 WeakPolarHBondContact O-CB 3.27Å; R179-Q182 PolarHBondContact O-N 3.27Å; K180-Q182 PolarHBondContact O-N 3.45Å
183	E	53.9	Low	57.1	Low	157 Å²	157	133.1 Å²	133.1	73%	0.734	67%	0.671	S	S	*	*	H	α-helix	trans	-86.1	-19.1	174.3	-72.6	171	135	0	0	113.2	R179 K180	R179-E183 PolarHBondContact O-N 3.02Å; K180-E183 PolarHBondContact O-N 3.42Å
184	H	51.2	Low	55.9	Low	163 Å²	163	133.3 Å²	133.3	76%	0.755	68%	0.675	S	S	*	*	S	Bend	trans	-105.9	26.7	-173.7	-67.8	77.5	0	0	0	114.4	K180	K180-H184 PolarHBondContact O-N 3.09Å; K180-H184 PolarHBondContact O-ND1 3.26Å
185	S	43.7	Very low	54.8	Low	83 Å²	83	133.1 Å²	133.1	58%	0.58	68%	0.678	S	S	*	*	S	Bend	trans	-127	127.6	177.5	-174.7	0	0	0	0	111.3
186	P	52.5	Low	53.7	Low	106 Å²	106	126.2 Å²	126.2	69%	0.688	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-66.4	153	171.5	29.5	-34.3	0	0	0	110.9	P188	P186-P188 WeakPolarHBondContact O-CD 3.31Å
187	P	49.7	Very low	52.9	Low	125 Å²	125	122.7 Å²	122.7	81%	0.812	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-77.8	122.9	-175	29.6	-33.9	0	0	0	112.2
188	P	45.5	Very low	52.4	Low	107 Å²	107	122.1 Å²	122.1	70%	0.695	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-76.6	140.2	171	31.6	-33.8	0	0	0	111.1	P186 V190	P186-P188 WeakPolarHBondContact O-CD 3.31Å; P188-V190 HydrophobicContact CB-CG2 4.32Å; P188-V190 PolarHBondContact O-N 3.38Å; P188-V190 VanDerWaalsContact O-N 3.08Å
189	A	51.7	Low	52	Low	112 Å²	112	119.5 Å²	119.5	93%	0.926	66%	0.659	S	S	*	*			trans	-75.7	94.4	177.8	0	0	0	0	0	111.4
190	V	53	Low	51.9	Low	102 Å²	102	114.5 Å²	114.5	62%	0.618	65%	0.646	S	S	*	*			trans	-137.7	134.6	175.2	-160.4	0	0	0	0	109.9	P188 R192	P188-V190 HydrophobicContact CB-CG2 4.32Å; P188-V190 PolarHBondContact O-N 3.38Å; P188-V190 VanDerWaalsContact O-N 3.08Å; V190-R192 PolarHBondContact O-N 3.15Å
191	P	48.3	Very low	51.9	Low	89 Å²	89	117.9 Å²	117.9	58%	0.578	66%	0.656	S	S	*	*			trans	-58.4	128.1	-178.3	-27.6	36	0	0	0	113.7	C193 L194	P191-C193 PolarHBondContact O-N 2.95Å; P191-L194 PolarHBondContact O-N 2.92Å
192	R	50.3	Low	52.2	Low	229 Å²	229	117.3 Å²	117.3	86%	0.864	65%	0.653	S	S	*	*	H	α-helix	trans	-53.7	-24.4	-175.3	-81.3	-177.1	168.4	-177.9	-2.9	114.7	V190 L194	V190-R192 PolarHBondContact O-N 3.15Å; R192-L194 PolarHBondContact O-N 3.47Å
193	C	47.7	Very low	52.7	Low	98 Å²	98	113.9 Å²	113.9	66%	0.662	64%	0.637	S	S	*	*	H	α-helix	trans	-60.9	-41	-176.4	-48.2	0	0	0	0	113.5	P191	P191-C193 PolarHBondContact O-N 2.95Å
194	L	47.1	Very low	53.2	Low	124 Å²	124	112 Å²	112	65%	0.649	63%	0.628	S	S	*	*	H	α-helix	trans	-80.7	-31.1	-173.6	-66.5	174.2	0	0	0	112.8	P191 R192 A196 A198	P191-L194 PolarHBondContact O-N 2.92Å; R192-L194 PolarHBondContact O-N 3.47Å; L194-A196 VanDerWaalsContact C-N 3.34Å; L194-A196 PolarHBondContact O-N 2.88Å; L194-A198 PolarHBondContact O-N 3.17Å
195	A	50.7	Low	53.8	Low	70 Å²	70	109.2 Å²	109.2	58%	0.579	62%	0.615	S	S	*	*	H	α-helix	trans	-67	-32.7	-179.6	0	0	0	0	0	113.1	K199	A195-K199 PolarHBondContact O-N 2.83Å
196	A	51.8	Low	54.9	Low	53 Å²	53	112 Å²	112	44%	0.438	62%	0.619	S	S	.	*	H	α-helix	trans	-63.4	-52.5	176.9	0	0	0	0	0	111.6	L194 A198 K199 D200	L194-A196 VanDerWaalsContact C-N 3.34Å; L194-A196 PolarHBondContact O-N 2.88Å; A196-A198 VanDerWaalsContact C-N 3.27Å; A196-A198 PolarHBondContact O-N 3.15Å; A196-K199 WeakPolarHBondContact O-CB 3.49Å; A196-K199 PolarHBondContact O-N 2.96Å; A196-D200 PolarHBondContact O-N 3.48Å
197	N	51.9	Low	55.6	Low	110 Å²	110	112.7 Å²	112.7	59%	0.588	61%	0.608	S	S	*	*	H	α-helix	trans	-61.9	-33.4	-179	-68	-12.5	0	0	0	112.8	R201	N197-R201 WeakPolarHBondContact O-CG 3.38Å; N197-R201 PolarHBondContact O-N 3.39Å
198	A	54.6	Low	56.5	Low	53 Å²	53	110.6 Å²	110.6	44%	0.438	59%	0.587	S	S	.	*	H	α-helix	trans	-67.4	-41.8	174	0	0	0	0	0	112.3	L194 A196 L202	L194-A198 PolarHBondContact O-N 3.17Å; A196-A198 VanDerWaalsContact C-N 3.27Å; A196-A198 PolarHBondContact O-N 3.15Å; A198-L202 WeakPolarHBondContact O-CD1 3.46Å; A198-L202 PolarHBondContact O-N 3.02Å
199	K	54.8	Low	57.7	Low	141 Å²	141	113.6 Å²	113.6	61%	0.613	59%	0.585	S	S	*	*	H	α-helix	trans	-65.1	-46	179.1	-170.9	-171.7	173.7	-160.3	0	111.7	A195 A196 R201 L202 E203	A195-K199 PolarHBondContact O-N 2.83Å; A196-K199 WeakPolarHBondContact O-CB 3.49Å; A196-K199 PolarHBondContact O-N 2.96Å; K199-R201 PolarHBondContact O-N 3.25Å; K199-L202 PolarHBondContact O-N 2.81Å; K199-E203 PolarHBondContact O-N 3.09Å
200	D	59.5	Low	58.6	Low	84 Å²	84	112.9 Å²	112.9	45%	0.449	56%	0.563	S	S	.	*	H	α-helix	trans	-65.8	-37.9	180	-80.8	14.3	0	0	0	112	A196 L202 E203 Q204	A196-D200 PolarHBondContact O-N 3.48Å; D200-L202 VanDerWaalsContact C-N 3.34Å; D200-L202 PolarHBondContact O-N 3.43Å; D200-E203 PolarHBondContact O-N 3.2Å; D200-Q204 WeakPolarHBondContact O-CB 3.41Å; D200-Q204 VanDerWaalsContact O-CG 3.28Å; D200-Q204 WeakPolarHBondContact O-CG 3.3Å; D200-Q204 PolarHBondContact O-N 3.46Å
201	R	60.7	Low	59.5	Low	178 Å²	178	114.7 Å²	114.7	67%	0.672	56%	0.558	S	S	*	*	H	α-helix	trans	-62.4	-38	172.5	-73.2	-179	80.9	-159.4	7.5	112.5	N197 K199 Q205	N197-R201 WeakPolarHBondContact O-CG 3.38Å; N197-R201 PolarHBondContact O-N 3.39Å; K199-R201 PolarHBondContact O-N 3.25Å; R201-Q205 WeakPolarHBondContact O-CG 3.4Å; R201-Q205 PolarHBondContact O-N 3.4Å
202	L	63.3	Low	60.7	Low	124 Å²	124	113.5 Å²	113.5	65%	0.649	55%	0.547	S	S	*	.	H	α-helix	trans	-65.9	-45.6	172.9	-100.1	95.7	0	0	0	111.9	A198 K199 D200 Q204 Q205 E206	A198-L202 WeakPolarHBondContact O-CD1 3.46Å; A198-L202 PolarHBondContact O-N 3.02Å; K199-L202 PolarHBondContact O-N 2.81Å; D200-L202 VanDerWaalsContact C-N 3.34Å; D200-L202 PolarHBondContact O-N 3.43Å; L202-Q204 VanDerWaalsContact C-N 3.29Å; L202-Q204 PolarHBondContact O-N 2.86Å; L202-Q205 PolarHBondContact O-N 2.88Å; L202-Q205 VanDerWaalsContact O-N 3.13Å; L202-E206 PolarHBondContact O-N 2.66Å
203	E	65.7	Low	62.1	Low	83 Å²	83	109.6 Å²	109.6	39%	0.388	53%	0.532	S	S	.	.	H	α-helix	trans	-70.4	-26.6	-177.5	-152.4	-175.9	-101	0	0	112.4	K199 D200 R207	K199-E203 PolarHBondContact O-N 3.09Å; D200-E203 PolarHBondContact O-N 3.2Å; E203-R207 WeakPolarHBondContact O-CB 3.39Å; E203-R207 WeakPolarHBondContact O-CG 3.31Å; E203-R207 PolarHBondContact O-N 3.01Å; E203-R207 VanDerWaalsContact O-N 3.15Å; E203-R207 PolarHBondContact O-NE 3.48Å; E203-R207 IonicContact OE2-CZ 3.72Å; E203-R207 VanDerWaalsContact OE2-CZ 3.25Å; E203-R207 IonicContact OE2-NE 3.55Å; E203-R207 IonicContact OE2-NH1 2.73Å; E203-R207 IonicContact OE2-NH2 3.06Å; E203-R207 PolarHBondContact OE2-NH2 2.97Å
204	Q	64.5	Low	63.7	Low	119 Å²	119	110.3 Å²	110.3	56%	0.556	52%	0.524	S	S	*	.	H	α-helix	trans	-70.7	-42.5	166.7	-73.1	177.2	8.8	0	0	112.2	D200 L202 R207 Q208	D200-Q204 WeakPolarHBondContact O-CB 3.41Å; D200-Q204 VanDerWaalsContact O-CG 3.28Å; D200-Q204 WeakPolarHBondContact O-CG 3.3Å; D200-Q204 PolarHBondContact O-N 3.46Å; L202-Q204 VanDerWaalsContact C-N 3.29Å; L202-Q204 PolarHBondContact O-N 2.86Å; Q204-R207 CarbonylContact O-C 3.26Å; Q204-R207 PolarHBondContact O-N 3.18Å; Q204-Q208 PolarHBondContact O-N 2.89Å
205	Q	62.9	Low	65.4	Low	103 Å²	103	108.5 Å²	108.5	48%	0.481	51%	0.514	S	S	.	.	H	α-helix	trans	-63.4	-39.3	174.6	-78.3	-169.9	13	0	0	112.5	R201 L202 Q208 R209	R201-Q205 WeakPolarHBondContact O-CG 3.4Å; R201-Q205 PolarHBondContact O-N 3.4Å; L202-Q205 PolarHBondContact O-N 2.88Å; L202-Q205 VanDerWaalsContact O-N 3.13Å; Q205-Q208 PolarHBondContact O-N 2.82Å; Q205-R209 WeakPolarHBondContact O-CG 3.39Å; Q205-R209 PolarHBondContact O-N 3.02Å
206	E	66.1	Low	66.2	Low	141 Å²	141	114 Å²	114	66%	0.659	52%	0.52	S	S	*	.	H	α-helix	trans	-66.2	-43.4	176.5	-166.6	163.2	-156.9	0	0	111	L202 Q208 R209 E210	L202-E206 PolarHBondContact O-N 2.66Å; E206-Q208 VanDerWaalsContact C-N 3.25Å; E206-Q208 PolarHBondContact O-N 2.87Å; E206-R209 PolarHBondContact O-N 2.85Å; E206-E210 PolarHBondContact O-N 3.28Å
207	R	67.5	Low	67.4	Low	122 Å²	122	115.5 Å²	115.5	46%	0.46	52%	0.518	S	S	.	.	H	α-helix	trans	-65.5	-20.4	171.7	-75.7	178.8	-81.3	-165.9	-1.4	114.3	E203 Q204 R211	E203-R207 WeakPolarHBondContact O-CB 3.39Å; E203-R207 WeakPolarHBondContact O-CG 3.31Å; E203-R207 PolarHBondContact O-N 3.01Å; E203-R207 VanDerWaalsContact O-N 3.15Å; E203-R207 PolarHBondContact O-NE 3.48Å; E203-R207 IonicContact OE2-CZ 3.72Å; E203-R207 VanDerWaalsContact OE2-CZ 3.25Å; E203-R207 IonicContact OE2-NE 3.55Å; E203-R207 IonicContact OE2-NH1 2.73Å; E203-R207 IonicContact OE2-NH2 3.06Å; E203-R207 PolarHBondContact OE2-NH2 2.97Å; Q204-R207 CarbonylContact O-C 3.26Å; Q204-R207 PolarHBondContact O-N 3.18Å; R207-R211 WeakPolarHBondContact O-CG 3.41Å; R207-R211 PolarHBondContact O-NE 3.42Å
208	Q	69.6	Low	68.6	Low	80 Å²	80	116.1 Å²	116.1	37%	0.374	52%	0.517	S	S	.	.	H	α-helix	trans	-77.6	-49.5	168	-173.4	60.6	41.6	0	0	111	Q204 Q205 E206 E210 R211 D212	Q204-Q208 PolarHBondContact O-N 2.89Å; Q205-Q208 PolarHBondContact O-N 2.82Å; E206-Q208 VanDerWaalsContact C-N 3.25Å; E206-Q208 PolarHBondContact O-N 2.87Å; Q208-E210 PolarHBondContact O-N 2.85Å; Q208-R211 PolarHBondContact O-N 3.43Å; Q208-R211 VanDerWaalsContact OE1-CZ 3.3Å; Q208-D212 PolarHBondContact NE2-OD1 3.39Å; Q208-D212 PolarHBondContact O-N 2.8Å
209	R	69.8	Low	69.7	Low	170 Å²	170	118.6 Å²	118.6	64%	0.642	52%	0.52	S	S	*	.	H	α-helix	trans	-58	-35.6	178.6	-69.5	171.1	-175.1	-173.2	3.5	112.5	Q205 E206 R213	Q205-R209 WeakPolarHBondContact O-CG 3.39Å; Q205-R209 PolarHBondContact O-N 3.02Å; E206-R209 PolarHBondContact O-N 2.85Å; R209-R213 WeakPolarHBondContact O-CB 3.45Å; R209-R213 PolarHBondContact O-N 3.41Å
210	E	71.9	Confident	70.9	Confident	98 Å²	98	117.8 Å²	117.8	46%	0.458	52%	0.516	S	S	.	.	H	α-helix	trans	-69.8	-37.3	175.3	-158	-164	149.5	0	0	112.7	E206 Q208 R213 K214	E206-E210 PolarHBondContact O-N 3.28Å; Q208-E210 PolarHBondContact O-N 2.85Å; E210-R213 PolarHBondContact O-N 2.94Å; E210-K214 WeakPolarHBondContact O-CG 3.41Å; E210-K214 PolarHBondContact O-N 3.23Å; E210-K214 WeakPolarHBondContact OE1-CE 3.5Å; E210-K214 IonicContact OE1-NZ 4Å; E210-K214 PolarHBondContact OE1-NZ 2.83Å
211	R	70.9	Confident	71.9	Confident	140 Å²	140	120 Å²	120	53%	0.528	52%	0.524	S	S	.	.	H	α-helix	trans	-66.9	-47	173.9	-77.9	-179.1	-73.7	159.4	0.2	111.3	R207 Q208 R213 K214 I215	R207-R211 WeakPolarHBondContact O-CG 3.41Å; R207-R211 PolarHBondContact O-NE 3.42Å; Q208-R211 PolarHBondContact O-N 3.43Å; Q208-R211 VanDerWaalsContact OE1-CZ 3.3Å; R211-R213 PolarHBondContact O-N 2.94Å; R211-K214 PolarHBondContact O-N 2.91Å; R211-K214 VanDerWaalsContact O-N 3.14Å; R211-I215 WeakPolarHBondContact O-CG1 3.23Å; R211-I215 PolarHBondContact O-N 2.64Å
212	D	72.6	Confident	72.7	Confident	64 Å²	64	117.7 Å²	117.7	34%	0.342	52%	0.521	S	S	.	.	H	α-helix	trans	-58	-36.4	176	-63.3	-15.7	0	0	0	111.5	Q208 R216	Q208-D212 PolarHBondContact NE2-OD1 3.39Å; Q208-D212 PolarHBondContact O-N 2.8Å; D212-R216 WeakPolarHBondContact O-CG 3.49Å; D212-R216 PolarHBondContact O-N 2.96Å; D212-R216 VanDerWaalsContact O-N 3.14Å
213	R	79.6	Confident	73.3	Confident	147 Å²	147	118.7 Å²	118.7	56%	0.555	52%	0.516	S	S	*	.	H	α-helix	trans	-65.3	-50	173.8	-178.6	-176.1	177.1	128.8	16.7	112.3	R209 E210 R211 I215 R216 E217	R209-R213 WeakPolarHBondContact O-CB 3.45Å; R209-R213 PolarHBondContact O-N 3.41Å; E210-R213 PolarHBondContact O-N 2.94Å; R211-R213 PolarHBondContact O-N 2.94Å; R213-I215 VanDerWaalsContact C-N 3.28Å; R213-I215 PolarHBondContact O-N 2.66Å; R213-R216 PolarHBondContact O-N 3.49Å; R213-R216 VanDerWaalsContact O-N 3.11Å; R213-E217 IonicContact CZ-OE1 2.7Å; R213-E217 VanDerWaalsContact CZ-OE1 3.27Å; R213-E217 IonicContact NE-OE1 3.28Å; R213-E217 PolarHBondContact NE-OE1 3.18Å; R213-E217 IonicContact NE-OE2 2.65Å; R213-E217 IonicContact NH2-OE1 2.68Å; R213-E217 PolarHBondContact NH2-OE1 3.44Å; R213-E217 PolarHBondContact O-N 2.87Å
214	K	83.1	Confident	74	Confident	113 Å²	113	119.6 Å²	119.6	49%	0.491	52%	0.52	S	S	.	.	H	α-helix	trans	-60.7	-37.9	179.5	-73.9	174.2	-174.9	167	0	111.9	E210 R211 E217 Q218	E210-K214 WeakPolarHBondContact O-CG 3.41Å; E210-K214 PolarHBondContact O-N 3.23Å; E210-K214 WeakPolarHBondContact OE1-CE 3.5Å; E210-K214 IonicContact OE1-NZ 4Å; E210-K214 PolarHBondContact OE1-NZ 2.83Å; R211-K214 PolarHBondContact O-N 2.91Å; R211-K214 VanDerWaalsContact O-N 3.14Å; K214-E217 PolarHBondContact O-N 3.24Å; K214-Q218 PolarHBondContact O-N 3.27Å
215	I	81.1	Confident	74.9	Confident	85 Å²	85	120.1 Å²	120.1	44%	0.436	52%	0.521	S	S	.	.	H	α-helix	trans	-63.3	-42.8	174.2	-66.6	165.1	0	0	0	111.1	R211 R213 Q218 Q219	R211-I215 WeakPolarHBondContact O-CG1 3.23Å; R211-I215 PolarHBondContact O-N 2.64Å; R213-I215 VanDerWaalsContact C-N 3.28Å; R213-I215 PolarHBondContact O-N 2.66Å; I215-Q218 PolarHBondContact O-N 3.28Å; I215-Q219 HydrophobicContact CG2-CG 4.47Å; I215-Q219 WeakPolarHBondContact O-CB 3.49Å; I215-Q219 VanDerWaalsContact O-CG 3.31Å; I215-Q219 WeakPolarHBondContact O-CG 3.4Å; I215-Q219 PolarHBondContact O-N 2.95Å
216	R	69.1	Low	75.8	Confident	185 Å²	185	121.4 Å²	121.4	70%	0.698	53%	0.525	S	S	*	.	H	α-helix	trans	-65.6	-38.8	175.4	-71.8	175.1	-172.2	-157.3	2.9	112.8	D212 R213 K220	D212-R216 WeakPolarHBondContact O-CG 3.49Å; D212-R216 PolarHBondContact O-N 2.96Å; D212-R216 VanDerWaalsContact O-N 3.14Å; R213-R216 PolarHBondContact O-N 3.49Å; R213-R216 VanDerWaalsContact O-N 3.11Å; R216-K220 WeakPolarHBondContact O-CB 3.47Å; R216-K220 PolarHBondContact O-N 3.06Å
217	E	76.8	Confident	76.3	Confident	86 Å²	86	119.1 Å²	119.1	40%	0.402	51%	0.514	S	S	.	.	H	α-helix	trans	-66	-45.4	177	-74.4	168.1	171.7	0	0	110.3	R213 K214 Q219 K220 E221	R213-E217 IonicContact CZ-OE1 2.7Å; R213-E217 VanDerWaalsContact CZ-OE1 3.27Å; R213-E217 IonicContact NE-OE1 3.28Å; R213-E217 PolarHBondContact NE-OE1 3.18Å; R213-E217 IonicContact NE-OE2 2.65Å; R213-E217 IonicContact NH2-OE1 2.68Å; R213-E217 PolarHBondContact NH2-OE1 3.44Å; R213-E217 PolarHBondContact O-N 2.87Å; K214-E217 PolarHBondContact O-N 3.24Å; E217-Q219 PolarHBondContact O-N 2.8Å; E217-K220 WeakPolarHBondContact O-CB 3.31Å; E217-K220 PolarHBondContact O-N 3.25Å; E217-E221 WeakPolarHBondContact O-CG 3.45Å; E217-E221 PolarHBondContact O-N 3.09Å
218	Q	77.6	Confident	77	Confident	123 Å²	123	122.3 Å²	122.3	58%	0.575	53%	0.526	S	S	*	.	H	α-helix	trans	-62.5	-41.9	172.2	-76.6	-174.5	-26.9	0	0	114	K214 I215 K220 E221 Q222	K214-Q218 PolarHBondContact O-N 3.27Å; I215-Q218 PolarHBondContact O-N 3.28Å; Q218-K220 PolarHBondContact O-N 3.2Å; Q218-E221 PolarHBondContact O-N 2.88Å; Q218-Q222 PolarHBondContact O-N 3.31Å
219	Q	77.1	Confident	77.5	Confident	104 Å²	104	123.1 Å²	123.1	49%	0.486	53%	0.53	S	S	.	.	H	α-helix	trans	-63.9	-32	176	-78	-178.6	-4	0	0	112.1	I215 E217 R223	I215-Q219 HydrophobicContact CG2-CG 4.47Å; I215-Q219 WeakPolarHBondContact O-CB 3.49Å; I215-Q219 VanDerWaalsContact O-CG 3.31Å; I215-Q219 WeakPolarHBondContact O-CG 3.4Å; I215-Q219 PolarHBondContact O-N 2.95Å; E217-Q219 PolarHBondContact O-N 2.8Å; Q219-R223 VanDerWaalsContact O-CG 3.28Å; Q219-R223 WeakPolarHBondContact O-CG 3.23Å; Q219-R223 PolarHBondContact O-N 3.44Å
220	K	80.5	Confident	78	Confident	125 Å²	125	123.3 Å²	123.3	54%	0.543	53%	0.531	S	S	.	.	H	α-helix	trans	-69.1	-47.3	172.7	-178.3	178.5	166.9	179.1	0	111.1	R216 E217 Q218 Q222 R223 E224	R216-K220 WeakPolarHBondContact O-CB 3.47Å; R216-K220 PolarHBondContact O-N 3.06Å; E217-K220 WeakPolarHBondContact O-CB 3.31Å; E217-K220 PolarHBondContact O-N 3.25Å; Q218-K220 PolarHBondContact O-N 3.2Å; K220-Q222 VanDerWaalsContact C-N 3.33Å; K220-Q222 PolarHBondContact O-N 2.94Å; K220-R223 WeakPolarHBondContact O-CB 3.26Å; K220-R223 PolarHBondContact O-N 3.26Å; K220-R223 VanDerWaalsContact O-N 3.08Å; K220-E224 WeakPolarHBondContact CE-OE1 3.33Å; K220-E224 IonicContact NZ-OE1 3.06Å; K220-E224 PolarHBondContact NZ-OE1 3.11Å; K220-E224 PolarHBondContact O-N 2.65Å
221	E	80.3	Confident	78.3	Confident	130 Å²	130	124.3 Å²	124.3	61%	0.607	53%	0.53	S	S	*	.	H	α-helix	trans	-59	-41.3	177.6	-70.9	174.6	162.3	0	0	112.2	E217 Q218 R223 E224 F225	E217-E221 WeakPolarHBondContact O-CG 3.45Å; E217-E221 PolarHBondContact O-N 3.09Å; Q218-E221 PolarHBondContact O-N 2.88Å; E221-R223 VanDerWaalsContact C-N 3.35Å; E221-R223 PolarHBondContact O-N 2.96Å; E221-E224 PolarHBondContact O-N 3.11Å; E221-F225 WeakPolarHBondContact O-CB 3.32Å; E221-F225 PolarHBondContact O-N 3.42Å
222	Q	76.5	Confident	78.7	Confident	130 Å²	130	121 Å²	121	61%	0.607	53%	0.525	S	S	*	.	H	α-helix	trans	-64.6	-34.5	174	-73.7	-171.2	1	0	0	113.5	Q218 K220 K226	Q218-Q222 PolarHBondContact O-N 3.31Å; K220-Q222 VanDerWaalsContact C-N 3.33Å; K220-Q222 PolarHBondContact O-N 2.94Å; Q222-K226 WeakPolarHBondContact O-CG 3.43Å; Q222-K226 PolarHBondContact O-N 3.12Å; Q222-K226 VanDerWaalsContact O-N 3.09Å
223	R	77.1	Confident	78.8	Confident	145 Å²	145	123.2 Å²	123.2	55%	0.547	54%	0.537	S	S	.	.	H	α-helix	trans	-68.3	-47.1	174.5	-73.6	171.3	-176.6	-160.6	1.2	110.8	Q219 K220 E221 F225 K226 E227	Q219-R223 VanDerWaalsContact O-CG 3.28Å; Q219-R223 WeakPolarHBondContact O-CG 3.23Å; Q219-R223 PolarHBondContact O-N 3.44Å; K220-R223 WeakPolarHBondContact O-CB 3.26Å; K220-R223 PolarHBondContact O-N 3.26Å; K220-R223 VanDerWaalsContact O-N 3.08Å; E221-R223 VanDerWaalsContact C-N 3.35Å; E221-R223 PolarHBondContact O-N 2.96Å; R223-F225 VanDerWaalsContact C-N 3.3Å; R223-F225 PolarHBondContact O-N 3.03Å; R223-K226 PolarHBondContact O-N 2.92Å; R223-E227 WeakPolarHBondContact O-CB 3.38Å; R223-E227 PolarHBondContact O-N 3.41Å
224	E	80.3	Confident	78.5	Confident	101 Å²	101	120.9 Å²	120.9	47%	0.472	54%	0.536	S	S	.	.	H	α-helix	trans	-62.6	-35.8	176.7	-69.9	-176	175.5	0	0	111.8	K220 E221 R228	K220-E224 WeakPolarHBondContact CE-OE1 3.33Å; K220-E224 IonicContact NZ-OE1 3.06Å; K220-E224 PolarHBondContact NZ-OE1 3.11Å; K220-E224 PolarHBondContact O-N 2.65Å; E221-E224 PolarHBondContact O-N 3.11Å; E224-R228 WeakPolarHBondContact O-CB 3.47Å; E224-R228 PolarHBondContact O-N 2.85Å
225	F	83.8	Confident	78	Confident	130 Å²	130	122.3 Å²	122.3	57%	0.57	54%	0.538	S	S	*	.	H	α-helix	trans	-63.1	-54.1	173.3	-171.9	-87.1	0	0	0	112.1	E221 R223 E227 R228 E229	E221-F225 WeakPolarHBondContact O-CB 3.32Å; E221-F225 PolarHBondContact O-N 3.42Å; R223-F225 VanDerWaalsContact C-N 3.3Å; R223-F225 PolarHBondContact O-N 3.03Å; F225-E227 VanDerWaalsContact C-N 3.27Å; F225-E227 PolarHBondContact O-N 3.42Å; F225-R228 WeakPolarHBondContact O-CA 3.49Å; F225-R228 VanDerWaalsContact O-CB 3.29Å; F225-R228 WeakPolarHBondContact O-CB 3.48Å; F225-R228 PolarHBondContact O-N 3.35Å; F225-E229 HydrophobicContact CD1-CG 4.23Å; F225-E229 HydrophobicContact CE1-CG 3.93Å; F225-E229 WeakPolarHBondContact CE1-OE1 3.26Å; F225-E229 WeakPolarHBondContact CE1-OE2 3.47Å; F225-E229 PolarHBondContact O-N 2.9Å
226	K	80.9	Confident	77.7	Confident	131 Å²	131	124.2 Å²	124.2	57%	0.57	55%	0.545	S	S	*	.	H	α-helix	trans	-62.5	-32.5	178.9	-74	-176.2	175.3	-175.7	0	113	Q222 R223 R228 R230	Q222-K226 WeakPolarHBondContact O-CG 3.43Å; Q222-K226 PolarHBondContact O-N 3.12Å; Q222-K226 VanDerWaalsContact O-N 3.09Å; R223-K226 PolarHBondContact O-N 2.92Å; K226-R228 VanDerWaalsContact C-N 3.35Å; K226-R230 WeakPolarHBondContact O-CG 3.43Å; K226-R230 PolarHBondContact O-N 2.76Å
227	E	76.9	Confident	77.9	Confident	92 Å²	92	122.8 Å²	122.8	43%	0.43	54%	0.544	S	S	.	.	H	α-helix	trans	-70.5	-32.5	173.4	-159.5	-159.8	-160.8	0	0	111.8	R223 F225 R231	R223-E227 WeakPolarHBondContact O-CB 3.38Å; R223-E227 PolarHBondContact O-N 3.41Å; F225-E227 VanDerWaalsContact C-N 3.27Å; F225-E227 PolarHBondContact O-N 3.42Å; E227-R231 WeakPolarHBondContact O-CG 3.29Å; E227-R231 PolarHBondContact O-N 2.83Å; E227-R231 VanDerWaalsContact O-N 3.13Å; E227-R231 IonicContact OE1-CZ 3.9Å; E227-R231 IonicContact OE1-NH1 3.54Å; E227-R231 IonicContact OE1-NH2 2.8Å; E227-R231 PolarHBondContact OE1-NH2 3.05Å; E227-R231 IonicContact OE2-CZ 3.51Å; E227-R231 IonicContact OE2-NH1 3.67Å; E227-R231 PolarHBondContact OE2-NH1 3.44Å; E227-R231 IonicContact OE2-NH2 2.7Å; E227-R231 PolarHBondContact OE2-NH2 3.16Å
228	R	81.2	Confident	77.3	Confident	189 Å²	189	124.2 Å²	124.2	71%	0.713	55%	0.551	S	S	*	*	H	α-helix	trans	-69.9	-38.2	174.8	-158.8	177.3	-163.2	176.2	5.3	112.2	E224 F225 K226 R231 V232	E224-R228 WeakPolarHBondContact O-CB 3.47Å; E224-R228 PolarHBondContact O-N 2.85Å; F225-R228 WeakPolarHBondContact O-CA 3.49Å; F225-R228 VanDerWaalsContact O-CB 3.29Å; F225-R228 WeakPolarHBondContact O-CB 3.48Å; F225-R228 PolarHBondContact O-N 3.35Å; K226-R228 VanDerWaalsContact C-N 3.35Å; R228-R231 PolarHBondContact O-N 2.85Å; R228-V232 PolarHBondContact O-N 2.87Å
229	E	80.8	Confident	76.7	Confident	97 Å²	97	127.2 Å²	127.2	45%	0.453	56%	0.556	S	S	.	*	H	α-helix	trans	-61.6	-48.5	172.1	-69.4	179.4	121.2	0	0	111.5	F225 R231 V232 D233	F225-E229 HydrophobicContact CD1-CG 4.23Å; F225-E229 HydrophobicContact CE1-CG 3.93Å; F225-E229 WeakPolarHBondContact CE1-OE1 3.26Å; F225-E229 WeakPolarHBondContact CE1-OE2 3.47Å; F225-E229 PolarHBondContact O-N 2.9Å; E229-R231 VanDerWaalsContact C-N 3.3Å; E229-R231 PolarHBondContact O-N 3.21Å; E229-V232 WeakPolarHBondContact O-CA 3.26Å; E229-V232 WeakPolarHBondContact O-CB 3.47Å; E229-V232 PolarHBondContact O-N 3.33Å; E229-D233 PolarHBondContact O-N 3.07Å
230	R	79.6	Confident	75.9	Confident	175 Å²	175	123.6 Å²	123.6	66%	0.66	55%	0.548	S	S	*	.	H	α-helix	trans	-55.2	-44.7	175	-70	173.8	-173.5	-156.3	-0.9	112.2	K226 V232 D233 D234	K226-R230 WeakPolarHBondContact O-CG 3.43Å; K226-R230 PolarHBondContact O-N 2.76Å; R230-V232 PolarHBondContact O-N 3.38Å; R230-V232 VanDerWaalsContact O-N 3.13Å; R230-D233 PolarHBondContact O-N 2.59Å; R230-D234 WeakPolarHBondContact O-CB 3.34Å; R230-D234 VanDerWaalsContact O-CG 3.3Å; R230-D234 PolarHBondContact O-N 3.06Å
231	R	79.4	Confident	74.6	Confident	118 Å²	118	121.2 Å²	121.2	45%	0.445	55%	0.546	S	S	.	.	H	α-helix	trans	-67.3	-6	174	-69.5	-171.1	-172.3	101.6	-0.5	114.7	E227 R228 E229 R235	E227-R231 WeakPolarHBondContact O-CG 3.29Å; E227-R231 PolarHBondContact O-N 2.83Å; E227-R231 VanDerWaalsContact O-N 3.13Å; E227-R231 IonicContact OE1-CZ 3.9Å; E227-R231 IonicContact OE1-NH1 3.54Å; E227-R231 IonicContact OE1-NH2 2.8Å; E227-R231 PolarHBondContact OE1-NH2 3.05Å; E227-R231 IonicContact OE2-CZ 3.51Å; E227-R231 IonicContact OE2-NH1 3.67Å; E227-R231 PolarHBondContact OE2-NH1 3.44Å; E227-R231 IonicContact OE2-NH2 2.7Å; E227-R231 PolarHBondContact OE2-NH2 3.16Å; R228-R231 PolarHBondContact O-N 2.85Å; E229-R231 VanDerWaalsContact C-N 3.3Å; E229-R231 PolarHBondContact O-N 3.21Å; R231-R235 VanDerWaalsContact O-CZ 3.23Å; R231-R235 PolarHBondContact O-NE 3.39Å; R231-R235 PolarHBondContact O-NH2 3.5Å
232	V	79.4	Confident	73.4	Confident	71 Å²	71	124.9 Å²	124.9	43%	0.43	56%	0.555	S	S	.	*	H	α-helix	trans	-95.2	-46	168.4	172.4	0	0	0	0	109.7	R228 E229 R230 D234 R235 H236	R228-V232 PolarHBondContact O-N 2.87Å; E229-V232 WeakPolarHBondContact O-CA 3.26Å; E229-V232 WeakPolarHBondContact O-CB 3.47Å; E229-V232 PolarHBondContact O-N 3.33Å; R230-V232 PolarHBondContact O-N 3.38Å; R230-V232 VanDerWaalsContact O-N 3.13Å; V232-D234 PolarHBondContact O-N 3.05Å; V232-R235 CarbonylContact O-C 3.56Å; V232-R235 PolarHBondContact O-N 3.39Å; V232-H236 PolarHBondContact O-N 2.78Å
233	D	74.3	Confident	72.1	Confident	110 Å²	110	129.4 Å²	129.4	59%	0.588	57%	0.566	S	S	*	*	H	α-helix	trans	-57.7	-46.1	175.3	-83.6	3	0	0	0	112.6	E229 R230 R235 H236 K237	E229-D233 PolarHBondContact O-N 3.07Å; R230-D233 PolarHBondContact O-N 2.59Å; D233-R235 VanDerWaalsContact C-N 3.26Å; D233-R235 PolarHBondContact O-N 2.84Å; D233-H236 CarbonylContact O-C 3.54Å; D233-H236 WeakPolarHBondContact O-CA 3.32Å; D233-H236 WeakPolarHBondContact O-CB 3.47Å; D233-H236 PolarHBondContact O-N 2.87Å; D233-K237 PolarHBondContact O-N 3.34Å
234	D	72.5	Confident	70.5	Confident	98 Å²	98	130.2 Å²	130.2	52%	0.524	58%	0.576	S	S	.	*	H	α-helix	trans	-59.6	-38.6	178.2	-69.9	-34.7	0	0	0	111.4	R230 V232 K237 E238	R230-D234 WeakPolarHBondContact O-CB 3.34Å; R230-D234 VanDerWaalsContact O-CG 3.3Å; R230-D234 PolarHBondContact O-N 3.06Å; V232-D234 PolarHBondContact O-N 3.05Å; D234-K237 WeakPolarHBondContact O-CB 3.21Å; D234-K237 PolarHBondContact O-N 3Å; D234-E238 WeakPolarHBondContact O-CB 3.27Å; D234-E238 PolarHBondContact O-N 3.5Å
235	R	72.5	Confident	68.4	Low	143 Å²	143	131.6 Å²	131.6	54%	0.54	59%	0.586	S	S	.	*	H	α-helix	trans	-76.5	-23.7	175.3	-82.7	-178.4	-72.1	-159.1	-4.8	113.4	R231 V232 D233 R239	R231-R235 VanDerWaalsContact O-CZ 3.23Å; R231-R235 PolarHBondContact O-NE 3.39Å; R231-R235 PolarHBondContact O-NH2 3.5Å; V232-R235 CarbonylContact O-C 3.56Å; V232-R235 PolarHBondContact O-N 3.39Å; D233-R235 VanDerWaalsContact C-N 3.26Å; D233-R235 PolarHBondContact O-N 2.84Å; R235-R239 WeakPolarHBondContact O-CB 3.44Å; R235-R239 WeakPolarHBondContact O-CD 3.24Å; R235-R239 WeakPolarHBondContact O-CG 3.47Å; R235-R239 PolarHBondContact O-N 3.44Å
236	H	74.6	Confident	66.2	Low	126 Å²	126	131 Å²	131	58%	0.583	60%	0.595	S	S	*	*	H	α-helix	trans	-71.3	-41.5	167	-98.7	-101.3	0	0	0	111.2	V232 D233 R239 G240	V232-H236 PolarHBondContact O-N 2.78Å; D233-H236 CarbonylContact O-C 3.54Å; D233-H236 WeakPolarHBondContact O-CA 3.32Å; D233-H236 WeakPolarHBondContact O-CB 3.47Å; D233-H236 PolarHBondContact O-N 2.87Å; H236-R239 PolarHBondContact O-N 2.84Å; H236-G240 PolarHBondContact O-N 3.04Å
237	K	73.1	Confident	64.3	Low	154 Å²	154	130.2 Å²	130.2	67%	0.67	61%	0.605	S	S	*	*	H	α-helix	trans	-59.9	-51.7	172.6	-108.2	171.6	179.1	165.6	0	112.1	D233 D234 R239 G240 S241	D233-K237 PolarHBondContact O-N 3.34Å; D234-K237 WeakPolarHBondContact O-CB 3.21Å; D234-K237 PolarHBondContact O-N 3Å; K237-R239 VanDerWaalsContact C-N 3.27Å; K237-R239 PolarHBondContact O-N 2.75Å; K237-G240 CarbonylContact O-C 3.59Å; K237-G240 WeakPolarHBondContact O-CA 3.43Å; K237-G240 PolarHBondContact O-N 3.2Å; K237-S241 PolarHBondContact O-N 3.07Å; K237-S241 PolarHBondContact O-OG 3.11Å
238	E	65.4	Low	62.2	Low	117 Å²	117	133.4 Å²	133.4	55%	0.547	62%	0.62	S	S	.	*	H	α-helix	trans	-57.6	-39.3	178.2	-172.6	-175.2	-162.1	0	0	112.2	D234 R242	D234-E238 WeakPolarHBondContact O-CB 3.27Å; D234-E238 PolarHBondContact O-N 3.5Å; E238-R242 PolarHBondContact O-N 3.21Å; E238-R242 VanDerWaalsContact O-N 3.09Å
239	R	65.6	Low	59.9	Low	185 Å²	185	131.3 Å²	131.3	70%	0.698	62%	0.618	S	S	*	*	H	α-helix	trans	-70.6	-26.9	173.2	-76.5	174.5	169.1	-167.1	-4.6	113.9	R235 H236 K237	R235-R239 WeakPolarHBondContact O-CB 3.44Å; R235-R239 WeakPolarHBondContact O-CD 3.24Å; R235-R239 WeakPolarHBondContact O-CG 3.47Å; R235-R239 PolarHBondContact O-N 3.44Å; H236-R239 PolarHBondContact O-N 2.84Å; K237-R239 VanDerWaalsContact C-N 3.27Å; K237-R239 PolarHBondContact O-N 2.75Å
240	G	58.8	Low	57.4	Low	29 Å²	29	138.6 Å²	138.6	30%	0.299	64%	0.641	S	S	.	*	H	α-helix	trans	-69.3	-55.1	169.1	0	0	0	0	0	111.1	H236 K237 R242 R243	H236-G240 PolarHBondContact O-N 3.04Å; K237-G240 CarbonylContact O-C 3.59Å; K237-G240 WeakPolarHBondContact O-CA 3.43Å; K237-G240 PolarHBondContact O-N 3.2Å; G240-R242 PolarHBondContact O-N 2.98Å; G240-R243 WeakPolarHBondContact O-CB 3.33Å; G240-R243 PolarHBondContact O-N 2.91Å
241	S	54.5	Low	55	Low	74 Å²	74	137.2 Å²	137.2	52%	0.517	64%	0.644	S	S	.	*	H	α-helix	trans	-57.6	-33.7	180	-54.9	0	0	0	0	113.3	K237 R243 E244	K237-S241 PolarHBondContact O-N 3.07Å; K237-S241 PolarHBondContact O-OG 3.11Å; S241-R243 PolarHBondContact O-N 3.09Å; S241-E244 PolarHBondContact O-N 2.79Å
242	R	53.2	Low	52.8	Low	208 Å²	208	139.1 Å²	139.1	79%	0.785	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-7.6	172.9	-89	-170.4	174.3	-132.1	1.5	115.4	E238 G240	E238-R242 PolarHBondContact O-N 3.21Å; E238-R242 VanDerWaalsContact O-N 3.09Å; G240-R242 PolarHBondContact O-N 2.98Å
243	R	50.3	Low	50.7	Low	224 Å²	224	141.3 Å²	141.3	85%	0.845	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.9	-12.9	175.6	-71.4	176.6	169.6	-175.3	-4	113.6	G240 S241	G240-R243 WeakPolarHBondContact O-CB 3.33Å; G240-R243 PolarHBondContact O-N 2.91Å; S241-R243 PolarHBondContact O-N 3.09Å
244	E	43.2	Very low	48.6	Very low	162 Å²	162	143.9 Å²	143.9	76%	0.757	69%	0.692	S	S	*	*	S	Bend	trans	-101.8	29	-175.3	-64.4	-179.2	169.2	0	0	112.6	S241	S241-E244 PolarHBondContact O-N 2.79Å
245	I	36.5	Very low	46.6	Very low	131 Å²	131	148.4 Å²	148.4	67%	0.672	71%	0.71	S	S	*	*			trans	-112.3	101.9	173.9	-55.7	177.2	0	0	0	108.8	S247	I245-S247 PolarHBondContact O-N 2.95Å
246	P	37.8	Very low	44.6	Very low	118 Å²	118	152.8 Å²	152.8	77%	0.766	73%	0.728	S	S	*	*			trans	-64.6	125.8	170.7	-20.1	33.3	0	0	0	110.7	H248	P246-H248 PolarHBondContact O-N 3.18Å
247	S	40.3	Very low	42.5	Very low	113 Å²	113	153.8 Å²	153.8	79%	0.79	74%	0.738	S	S	*	*			trans	-89.5	97.2	-176.7	56.1	0	0	0	0	111.8	I245	I245-S247 PolarHBondContact O-N 2.95Å
248	H	33.2	Very low	40.3	Very low	159 Å²	159	152.7 Å²	152.7	74%	0.736	74%	0.739	S	S	*	*			trans	-131.5	142.2	169.4	-90.6	-93.9	0	0	0	112.4	P246	P246-H248 PolarHBondContact O-N 3.18Å
249	H	32.6	Very low	38.5	Very low	146 Å²	146	154.6 Å²	154.6	68%	0.676	75%	0.746	S	S	*	*			trans	49.1	90.6	172.8	-58.9	-65.8	0	0	0	118.4
250	R	29.5	Very low	36.6	Very low	249 Å²	249	150.1 Å²	150.1	94%	0.94	74%	0.743	S	S	*	*			trans	-99.8	110.2	136.4	-169.7	-179.5	-156.6	168.8	6.3	106.8
251	M	28.6	Very low	35.3	Very low	146 Å²	146	157.5 Å²	157.5	72%	0.719	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-75.5	153.9	174.1	-69.8	-55.9	-158.3	0	0	111
252	L	33.8	Very low	33.9	Very low	158 Å²	158	162.5 Å²	162.5	83%	0.827	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-92.6	152.7	168.2	-65.9	166.2	0	0	0	109.1
253	P	33.7	Very low	32.7	Very low	118 Å²	118	157.5 Å²	157.5	77%	0.766	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-69.7	153.5	157.7	-12	29.2	0	0	0	110.7
254	D	30.2	Very low	31.6	Very low	163 Å²	163	154.8 Å²	154.8	87%	0.872	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-73.1	150.6	-173.8	-54.3	-77.1	0	0	0	114.4
255	E	30.9	Very low	30.8	Very low	193 Å²	193	158.7 Å²	158.7	90%	0.902	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-93.7	152.3	164.1	-68.8	-175.8	134.5	0	0	110.5
256	Y	30.1	Very low	30.4	Very low	236 Å²	236	157.5 Å²	157.5	93%	0.925	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-94.5	144.3	170.5	-116.1	-98.7	0	0	0	110.8
257	D	30.4	Very low	29.9	Very low	146 Å²	146	163.6 Å²	163.6	78%	0.781	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-54.2	140.5	-177.1	-83.2	-72.3	0	0	0	115.6
258	D	27.5	Very low	29.6	Very low	131 Å²	131	163.4 Å²	163.4	70%	0.701	80%	0.799	S	S	*	*				-147.4	168.8	114.3	-154.6	16.5	0	0	0	113.9
259	K	27.9	Very low	30.2	Very low	157 Å²	157	160.8 Å²	160.8	68%	0.683	80%	0.796	S	S	*	*			trans	-95.7	154.7	-154.9	-55	153.9	-159.6	76.2	0	112.5
260	S	26.6	Very low	30	Very low	92 Å²	92	159.6 Å²	159.6	64%	0.643	80%	0.799	S	S	*	*				160	164	94.6	61.6	0	0	0	0	116
261	K	29.5	Very low	30	Very low	184 Å²	184	159.1 Å²	159.1	80%	0.8	80%	0.797	S	S	*	*			trans	70.7	91.4	155.7	-69.4	153.2	-171.7	161.6	0	119.2
262	Q	26.8	Very low	30	Very low	179 Å²	179	155.4 Å²	155.4	84%	0.836	80%	0.797	S	S	*	*				14.2	126	120.5	-63.6	175.7	-17.9	0	0	118.5
263	A	26.8	Very low	29.6	Very low	102 Å²	102	153.3 Å²	153.3	84%	0.843	80%	0.796	S	S	*	*			trans	-151.2	127.6	137.1	0	0	0	0	0	111.1
264	H	26.8	Very low	29.4	Very low	167 Å²	167	158.1 Å²	158.1	77%	0.773	80%	0.798	S	S	*	*			trans	-80.7	146.6	174.3	-53.1	-104.4	0	0	0	110.9
265	R	26.8	Very low	29.3	Very low	244 Å²	244	156.3 Å²	156.3	92%	0.921	79%	0.789	S	S	*	*				-177.2	122.7	110.8	-98.1	159.8	-176.6	-179.2	2.2	114.9
266	S	28.9	Very low	29.2	Very low	106 Å²	106	156.3 Å²	156.3	74%	0.741	78%	0.781	S	S	*	*			trans	-44.3	145	157.5	53	0	0	0	0	115.6
267	R	27.8	Very low	29.1	Very low	246 Å²	246	149.7 Å²	149.7	93%	0.928	77%	0.768	S	S	*	*			trans	-171.9	108.1	133	-106.9	166.9	-176	-175.3	0.5	114.1
268	S	34	Very low	29.1	Very low	110 Å²	110	149.2 Å²	149.2	77%	0.769	76%	0.762	S	S	*	*			trans	-76.3	174.8	141.6	-42.3	0	0	0	0	108.1
269	P	44.4	Very low	29.2	Very low	104 Å²	104	151.1 Å²	151.1	68%	0.675	77%	0.766	S	S	*	*			cis	-151.8	173.8	28.4	42.3	-20.5	0	0	0	119.7
270	T	29.5	Very low	29.1	Very low	121 Å²	121	148.6 Å²	148.6	74%	0.742	77%	0.768	S	S	*	*			trans	59.9	147.4	147	52.3	0	0	0	0	119.9
271	R	29.3	Very low	29.3	Very low	238 Å²	238	149.9 Å²	149.9	90%	0.898	76%	0.764	S	S	*	*			cis	-176.7	156.2	28.9	-135.3	169.5	-177.2	-172.6	0.7	110.8
272	G	28.3	Very low	29.8	Very low	69 Å²	69	146.3 Å²	146.3	71%	0.711	76%	0.76	S	S	*	*			trans	82.6	155.9	153.1	0	0	0	0	0	118.1
273	S	26.1	Very low	29.8	Very low	114 Å²	114	146.9 Å²	146.9	80%	0.797	75%	0.754	S	S	*	*			cis	179	161.5	-20.9	44.1	0	0	0	0	110.1
274	R	28.1	Very low	29.7	Very low	218 Å²	218	151.7 Å²	151.7	82%	0.823	76%	0.756	S	S	*	*			trans	83.5	126.7	157.1	-84.6	-163.5	144.1	123.6	3.5	121.3
275	D	28.5	Very low	29.7	Very low	125 Å²	125	151.4 Å²	151.4	67%	0.668	76%	0.759	S	S	*	*				53.8	131.7	126.3	-65.7	-38.5	0	0	0	118.9
276	R	28.7	Very low	30.8	Very low	194 Å²	194	145.4 Å²	145.4	73%	0.732	75%	0.751	S	S	*	*			cis	172.1	171.6	20.5	155.8	179.1	177.1	-153.2	-3.8	107.7	E278	R276-E278 IonicContact NE-OE1 3.65Å; R276-E278 IonicContact NH2-OE1 2.72Å
277	S	28.8	Very low	30.6	Very low	96 Å²	96	145 Å²	145	67%	0.671	76%	0.755	S	S	*	*			trans	69	140.5	159.2	47.5	0	0	0	0	119.1
278	E	29.3	Very low	30.7	Very low	136 Å²	136	138.7 Å²	138.7	64%	0.636	75%	0.748	S	S	*	*			cis	-164.5	162.4	-25.1	-119.9	149	-124.9	0	0	108.9	R276	R276-E278 IonicContact NE-OE1 3.65Å; R276-E278 IonicContact NH2-OE1 2.72Å
279	H	29.6	Very low	30.4	Very low	171 Å²	171	141.7 Å²	141.7	79%	0.792	75%	0.747	S	S	*	*			trans	12.7	145.5	149.1	-66.5	-35.4	0	0	0	122.6
280	S	27.6	Very low	29.7	Very low	104 Å²	104	144.4 Å²	144.4	73%	0.727	75%	0.751	S	S	*	*			cis	-165.5	161.3	0.4	50.4	0	0	0	0	115.1
281	E	30.5	Very low	29.8	Very low	120 Å²	120	147.3 Å²	147.3	56%	0.561	76%	0.756	S	S	*	*			trans	-26.6	165.9	134.8	-99.2	-161.7	-153.4	0	0	116.6	R283	E281-R283 VanDerWaalsContact CD-NE 3.35Å; E281-R283 IonicContact OE1-CZ 3.98Å; E281-R283 IonicContact OE1-NE 3.28Å; E281-R283 PolarHBondContact OE1-NE 3.41Å; E281-R283 IonicContact OE1-NH2 2.72Å; E281-R283 PolarHBondContact OE1-NH2 2.86Å; E281-R283 WeakPolarHBondContact OE2-CG 3.32Å; E281-R283 IonicContact OE2-CZ 3Å; E281-R283 IonicContact OE2-NE 3.23Å; E281-R283 PolarHBondContact OE2-NE 3.24Å; E281-R283 IonicContact OE2-NH2 2.64Å; E281-R283 PolarHBondContact OE2-NH2 2.92Å
282	P	39.7	Very low	29.6	Very low	109 Å²	109	147.2 Å²	147.2	71%	0.708	76%	0.755	S	S	*	*			cis	-145.4	158.4	37	39.7	-19.2	0	0	0	120.5
283	R	25.9	Very low	29.9	Very low	190 Å²	190	151.7 Å²	151.7	72%	0.717	76%	0.762	S	S	*	*				18.5	140.3	128.4	-44.3	179.2	-166.3	-161.5	-4.6	117.5	E281	E281-R283 VanDerWaalsContact CD-NE 3.35Å; E281-R283 IonicContact OE1-CZ 3.98Å; E281-R283 IonicContact OE1-NE 3.28Å; E281-R283 PolarHBondContact OE1-NE 3.41Å; E281-R283 IonicContact OE1-NH2 2.72Å; E281-R283 PolarHBondContact OE1-NH2 2.86Å; E281-R283 WeakPolarHBondContact OE2-CG 3.32Å; E281-R283 IonicContact OE2-CZ 3Å; E281-R283 IonicContact OE2-NE 3.23Å; E281-R283 PolarHBondContact OE2-NE 3.24Å; E281-R283 IonicContact OE2-NH2 2.64Å; E281-R283 PolarHBondContact OE2-NH2 2.92Å
284	K	26	Very low	29.9	Very low	203 Å²	203	153.7 Å²	153.7	88%	0.883	76%	0.764	S	S	*	*				-162.6	153.2	66	-86.3	178.5	-179.2	176.1	0	115.4
285	I	26.8	Very low	30.5	Very low	162 Å²	162	149.9 Å²	149.9	83%	0.831	76%	0.764	S	S	*	*			trans	-90.1	174.4	158.4	8.9	173.3	0	0	0	109.3
286	P	48.2	Very low	30.6	Very low	118 Å²	118	152 Å²	152	77%	0.766	77%	0.771	S	S	*	*			cis	-129.5	-171.6	-17.7	39.1	-22.4	0	0	0	112.1
287	A	25.6	Very low	30.7	Very low	98 Å²	98	148.3 Å²	148.3	81%	0.81	77%	0.765	S	S	*	*				172.8	144.9	125.2	0	0	0	0	0	114
288	S	29.5	Very low	31	Very low	112 Å²	112	152.2 Å²	152.2	78%	0.783	78%	0.778	S	S	*	*			trans	-62.7	153.5	172.5	50.3	0	0	0	0	116
289	K	28.6	Very low	31.4	Very low	173 Å²	173	152.9 Å²	152.9	75%	0.752	79%	0.785	S	S	*	*				-163.5	117.9	128.5	-101.9	-178.2	-178	-87.6	0	108.1
290	E	28.7	Very low	31.6	Very low	161 Å²	161	149.4 Å²	149.4	75%	0.752	79%	0.785	S	S	*	*				89.9	150	82.9	-84	-176.8	159.2	0	0	112.9
291	E	31.1	Very low	31.8	Very low	183 Å²	183	152.3 Å²	152.3	86%	0.855	79%	0.793	S	S	*	*			trans	-75.1	154.2	-161.3	-53.1	163.9	112.5	0	0	114
292	R	26.1	Very low	32	Very low	235 Å²	235	155 Å²	155	89%	0.887	81%	0.81	S	S	*	*				-158.3	143.3	108.2	-108.5	173.5	-173.9	-160.7	-1.5	112.9
293	L	34.1	Very low	31.7	Very low	163 Å²	163	159.2 Å²	159.2	85%	0.853	82%	0.82	S	S	*	*			trans	-85.6	143.1	160.7	-66.5	166	0	0	0	108.1
294	D	27.2	Very low	31.8	Very low	157 Å²	157	157.5 Å²	157.5	84%	0.84	83%	0.825	S	S	*	*			trans	-147.8	151.8	153.6	-101.9	-47.6	0	0	0	109.2
295	V	41.2	Very low	32	Very low	137 Å²	137	155 Å²	155	83%	0.83	82%	0.82	S	S	*	*			trans	-104.5	126	-170.4	177	0	0	0	0	110
296	Q	29.8	Very low	32.1	Very low	171 Å²	171	152.3 Å²	152.3	80%	0.799	82%	0.816	S	S	*	*			trans	-133.7	94.3	177.2	-157.7	77.5	71.2	0	0	112.3
297	D	30	Very low	31.2	Very low	115 Å²	115	154 Å²	154	62%	0.615	82%	0.819	S	S	*	*			trans	37	114.5	131.1	-147.9	-1.6	0	0	0	120	L299	D297-L299 PolarHBondContact O-N 2.74Å
298	L	34.9	Very low	31.5	Very low	178 Å²	178	156.2 Å²	156.2	93%	0.932	82%	0.822	S	S	*	*	S	Bend	trans	-97.8	60.4	177.5	-73.3	174.7	0	0	0	112.1
299	L	37.6	Very low	31.7	Very low	151 Å²	151	157.9 Å²	157.9	79%	0.791	82%	0.817	S	S	*	*			trans	-138.5	37.5	-174.5	-113.2	169.4	0	0	0	115.2	D297	D297-L299 PolarHBondContact O-N 2.74Å
300	A	34.2	Very low	31.7	Very low	97 Å²	97	159.6 Å²	159.6	80%	0.802	82%	0.819	S	S	*	*			trans	-141.5	68.6	178.7	0	0	0	0	0	113.4
301	D	31.4	Very low	31.8	Very low	165 Å²	165	159.9 Å²	159.9	88%	0.882	82%	0.818	S	S	*	*			trans	-152.3	32.6	171.9	-127.3	-9.3	0	0	0	113.3
302	L	36.1	Very low	31.5	Very low	176 Å²	176	156.2 Å²	156.2	92%	0.921	81%	0.808	S	S	*	*			trans	-129.3	47.4	177.7	-83.3	176.3	0	0	0	112.1
303	Q	33.2	Very low	31.7	Very low	198 Å²	198	150.3 Å²	150.3	93%	0.925	80%	0.802	S	S	*	*			trans	-152.7	52.1	178.3	-128.5	162.1	43.3	0	0	115.5
304	D	28.6	Very low	31.2	Very low	154 Å²	154	147.9 Å²	147.9	82%	0.824	79%	0.794	S	S	*	*			trans	-152.6	172.7	152.8	-147.5	-19.9	0	0	0	111.9
305	I	30.3	Very low	31.2	Very low	150 Å²	150	144.2 Å²	144.2	77%	0.769	79%	0.786	S	S	*	*			trans	70.1	51.7	178.2	-32.3	179.5	0	0	0	115.1
306	S	27.6	Very low	30.4	Very low	107 Å²	107	146.4 Å²	146.4	75%	0.748	79%	0.787	S	S	*	*			trans	-88.8	142.8	137	55.7	0	0	0	0	109.3
307	D	30.4	Very low	30.3	Very low	154 Å²	154	143 Å²	143	82%	0.824	78%	0.782	S	S	*	*			trans	70.2	85.5	-176.3	-68.3	-24.1	0	0	0	118.3
308	V	31.3	Very low	30.1	Very low	144 Å²	144	141.9 Å²	141.9	87%	0.873	78%	0.783	S	S	*	*				-152.7	87.1	109.6	-176.4	0	0	0	0	109.9
309	E	34.1	Very low	29.7	Very low	146 Å²	146	141.2 Å²	141.2	68%	0.682	78%	0.779	S	S	*	*			trans	-105.9	98.8	166.1	-122	-83.9	139	0	0	108.6	K508	E309-K508 IonicContact OE2-NZ 3.62Å; E309-K508 PolarHBondContact OE2-NZ 2.83Å
310	R	28.3	Very low	29.2	Very low	209 Å²	209	138.6 Å²	138.6	79%	0.789	78%	0.779	S	S	*	*			trans	-170.2	112.9	158.8	-107.5	154.7	-165.5	-170.9	8.5	115.1
311	K	29.6	Very low	28.8	Very low	168 Å²	168	139.1 Å²	139.1	73%	0.73	78%	0.777	S	S	*	*			trans	71.4	138.6	142.4	-60.1	170.4	178.6	178	0	117.8
312	T	26.7	Very low	28.5	Very low	106 Å²	106	134.6 Å²	134.6	65%	0.65	77%	0.769	S	S	*	*			cis	-158.6	159.9	-12.4	9.6	0	0	0	0	109.3
313	S	30.3	Very low	28	Very low	110 Å²	110	132.1 Å²	132.1	77%	0.769	77%	0.767	S	S	*	*			trans	-54.9	136.2	162.5	49.2	0	0	0	0	114.6
314	T	23.6	Very low	27.6	Very low	112 Å²	112	125.6 Å²	125.6	69%	0.687	75%	0.753	S	S	*	*			trans	-143.3	126.5	141.4	45.3	0	0	0	0	104.1
315	A	25.7	Very low	27.6	Very low	81 Å²	81	122.8 Å²	122.8	67%	0.669	75%	0.745	S	S	*	*				54.9	124.5	71.7	0	0	0	0	0	111
316	E	25.7	Very low	27.5	Very low	183 Å²	183	123.9 Å²	123.9	86%	0.855	75%	0.747	S	S	*	*			cis	-159.1	-166.6	6.1	-129.5	166.7	163.4	0	0	109.9
317	S	27	Very low	27.5	Very low	98 Å²	98	125.8 Å²	125.8	69%	0.685	74%	0.744	S	S	*	*			trans	-44.9	156.1	170.2	54.7	0	0	0	0	113.5
318	S	26.3	Very low	27.4	Very low	92 Å²	92	123 Å²	123	64%	0.643	73%	0.726	S	S	*	*				178	-178.8	66.1	-49.5	0	0	0	0	112.9
319	I	25.5	Very low	27.2	Very low	164 Å²	164	122.3 Å²	122.3	84%	0.841	72%	0.717	S	S	*	*			trans	67.6	103.8	150.1	61	165.3	0	0	0	122.8
320	A	26.7	Very low	27	Very low	96 Å²	96	123.3 Å²	123.3	79%	0.793	72%	0.722	S	S	*	*			trans	-167.1	135.5	130.2	0	0	0	0	0	107.8
321	S	25.9	Very low	27.2	Very low	109 Å²	109	121.8 Å²	121.8	76%	0.762	72%	0.724	S	S	*	*			cis	62.7	118.2	-0.9	-57.2	0	0	0	0	116.4
322	G	26.1	Very low	27.3	Very low	69 Å²	69	122 Å²	122	71%	0.711	73%	0.728	S	S	*	*			cis	-115.8	-155.3	-4.5	0	0	0	0	0	113
323	S	24.5	Very low	27.4	Very low	125 Å²	125	120.2 Å²	120.2	87%	0.874	73%	0.73	S	S	*	*			cis	62.9	135.2	19.9	-149.2	0	0	0	0	113.8
324	G	26	Very low	27.3	Very low	61 Å²	61	123.5 Å²	123.5	63%	0.629	73%	0.733	S	S	*	*			cis	-95.8	-167.6	-8.7	0	0	0	0	0	114
325	S	27.7	Very low	27.5	Very low	94 Å²	94	124.1 Å²	124.1	66%	0.657	73%	0.733	S	S	*	*			cis	76.1	142.2	23.1	71	0	0	0	0	117.2
326	E	28.5	Very low	27.7	Very low	173 Å²	173	128.7 Å²	128.7	81%	0.808	74%	0.74	S	S	*	*			trans	69.3	163.5	174.4	-51.4	123.4	-113.5	0	0	117.2
327	E	28.4	Very low	27.8	Very low	148 Å²	148	124.9 Å²	124.9	69%	0.692	73%	0.734	S	S	*	*			cis	-113.3	-168.6	-18.1	-53.1	175.5	115.9	0	0	107.8	K114	K114-E327 IonicContact NZ-OE1 2.71Å; K114-E327 PolarHBondContact NZ-OE1 2.94Å; K114-E327 IonicContact NZ-OE2 2.7Å; K114-E327 PolarHBondContact NZ-OE2 2.98Å
328	E	28.7	Very low	28	Very low	95 Å²	95	124.8 Å²	124.8	44%	0.444	73%	0.733	S	S	.	*			cis	-162.6	141	3.3	-154	-177.9	-134.4	0	0	109.6	K114 K118	K114-E328 IonicContact NZ-OE1 2.62Å; K114-E328 PolarHBondContact NZ-OE1 2.88Å; K118-E328 WeakPolarHBondContact CE-OE2 3.41Å; K118-E328 IonicContact NZ-OE2 2.7Å; K118-E328 PolarHBondContact NZ-OE2 3.38Å
329	D	26.4	Very low	28.1	Very low	129 Å²	129	125.7 Å²	125.7	69%	0.69	74%	0.739	S	S	*	*			trans	-112	-159.3	-158.4	-50.1	-88.5	0	0	0	114.5
330	E	30.3	Very low	28.3	Very low	167 Å²	167	125.5 Å²	125.5	78%	0.78	74%	0.735	S	S	*	*			cis	-172.7	174.8	20.7	-137.9	151.6	-168.7	0	0	110.2
331	E	32.4	Very low	28.4	Very low	178 Å²	178	126 Å²	126	83%	0.832	73%	0.733	S	S	*	*			trans	62.9	160.2	159.5	-70.2	177.8	168.4	0	0	121.4
332	E	30.5	Very low	28.7	Very low	172 Å²	172	128.7 Å²	128.7	80%	0.804	73%	0.733	S	S	*	*			cis	-159.5	149	-17	-91.4	-120.2	114.1	0	0	108.6
333	G	28.8	Very low	28.7	Very low	69 Å²	69	128.4 Å²	128.4	71%	0.711	73%	0.73	S	S	*	*				119.7	156.5	102.4	0	0	0	0	0	111.6
334	E	29.2	Very low	29	Very low	178 Å²	178	131.2 Å²	131.2	83%	0.832	73%	0.729	S	S	*	*			cis	-153.6	-175.1	-2.9	-71.5	-171.2	100.1	0	0	111
335	D	27.1	Very low	29.2	Very low	125 Å²	125	136.4 Å²	136.4	67%	0.668	74%	0.737	S	S	*	*			trans	97.8	98.6	154.6	-76.5	-26.1	0	0	0	124.6
336	Q	30.7	Very low	29.3	Very low	177 Å²	177	140.6 Å²	140.6	83%	0.827	75%	0.746	S	S	*	*				64.9	144.9	124.3	-64.8	-179.6	59.2	0	0	120.8
337	S	28.3	Very low	29.5	Very low	103 Å²	103	141.2 Å²	141.2	72%	0.72	75%	0.749	S	S	*	*			cis	-164.2	174.4	5.9	104.3	0	0	0	0	108.9
338	S	30.9	Very low	29.5	Very low	96 Å²	96	143.8 Å²	143.8	67%	0.671	76%	0.761	S	S	*	*			cis	179.8	-176.1	-20.3	57.4	0	0	0	0	110.1
339	S	27	Very low	29.6	Very low	111 Å²	111	146.2 Å²	146.2	78%	0.776	78%	0.777	S	S	*	*			trans	76.9	148.9	166.6	77.7	0	0	0	0	121
340	Q	31.1	Very low	29.8	Very low	161 Å²	161	149.4 Å²	149.4	75%	0.752	79%	0.788	S	S	*	*			cis	-164.1	174.8	-48.7	-138	-177.2	-54	0	0	112.1	E342	Q340-E342 PolarHBondContact NE2-OE1 3Å; Q340-E342 VanDerWaalsContact NE2-OE1 3.12Å
341	S	27.3	Very low	29.8	Very low	107 Å²	107	145 Å²	145	75%	0.748	79%	0.787	S	S	*	*			trans	77.1	150.1	165.7	72.2	0	0	0	0	119.5
342	E	33.2	Very low	29.6	Very low	165 Å²	165	145.8 Å²	145.8	77%	0.771	79%	0.791	S	S	*	*			cis	-171.4	168.9	-46	-114.3	154.2	-126.9	0	0	110.4	Q340	Q340-E342 PolarHBondContact NE2-OE1 3Å; Q340-E342 VanDerWaalsContact NE2-OE1 3.12Å
343	G	26.6	Very low	29.7	Very low	62 Å²	62	142.9 Å²	142.9	64%	0.639	79%	0.789	S	S	*	*			trans	105.7	121.8	-179.8	0	0	0	0	0	113
344	E	31	Very low	29.6	Very low	184 Å²	184	146.3 Å²	146.3	86%	0.86	80%	0.796	S	S	*	*			cis	77.8	136.7	41.5	-61.9	177.4	-179.7	0	0	114.1
345	E	30.1	Very low	29.7	Very low	170 Å²	170	143.4 Å²	143.4	79%	0.794	80%	0.796	S	S	*	*			cis	-165.1	-167.6	-26.6	-141.6	173	-142.2	0	0	109.8
346	E	28.5	Very low	29.9	Very low	183 Å²	183	142.1 Å²	142.1	86%	0.855	80%	0.802	S	S	*	*			trans	78.9	155.4	164.2	-52.4	-156.5	132.1	0	0	120.9
347	E	32.8	Very low	29.8	Very low	186 Å²	186	139.4 Å²	139.4	87%	0.869	80%	0.803	S	S	*	*			trans	-122.2	-179.9	-174.1	-53.5	-169.7	167.4	0	0	110.1
348	E	28.3	Very low	29.8	Very low	201 Å²	201	137.4 Å²	137.4	94%	0.939	80%	0.799	S	S	*	*				-166.9	155.8	120.8	-108	177.1	179.2	0	0	111.7
349	D	31.7	Very low	29.7	Very low	146 Å²	146	144.4 Å²	144.4	78%	0.781	81%	0.81	S	S	*	*			trans	-104	162.2	176.3	-175.8	23.9	0	0	0	109.6
350	E	29.8	Very low	29.9	Very low	197 Å²	197	143 Å²	143	92%	0.921	80%	0.8	S	S	*	*			trans	175.1	130.4	148.8	-87.3	-117.8	135.4	0	0	108
351	G	30.8	Very low	29.8	Very low	73 Å²	73	142.2 Å²	142.2	75%	0.753	80%	0.797	S	S	*	*			trans	-134.4	143.4	175.7	0	0	0	0	0	111.1
352	E	28.3	Very low	30	Very low	196 Å²	196	144.9 Å²	144.9	92%	0.916	80%	0.797	S	S	*	*			trans	-135.5	157.1	172.6	-139.5	-174.1	-156.4	0	0	112
353	S	31.6	Very low	29.8	Very low	110 Å²	110	142.5 Å²	142.5	77%	0.769	80%	0.799	S	S	*	*			trans	-138.7	130	-168.2	64.6	0	0	0	0	111.6
354	V	28.2	Very low	29.9	Very low	142 Å²	142	143 Å²	143	86%	0.861	80%	0.797	S	S	*	*			trans	-136.5	144.8	171.8	-158.6	0	0	0	0	109.6
355	S	31.3	Very low	29.8	Very low	117 Å²	117	143.2 Å²	143.2	82%	0.818	80%	0.798	S	S	*	*			trans	-141.5	142.9	178.5	59.5	0	0	0	0	111
356	A	29.4	Very low	29.8	Very low	97 Å²	97	141.5 Å²	141.5	80%	0.802	79%	0.794	S	S	*	*			trans	-158.4	148.1	169.9	0	0	0	0	0	112.7
357	S	29.5	Very low	29.9	Very low	121 Å²	121	138.1 Å²	138.1	85%	0.846	79%	0.786	S	S	*	*			trans	-32.3	158.1	167.8	53.3	0	0	0	0	118.2
358	G	27.8	Very low	29.8	Very low	61 Å²	61	133.8 Å²	133.8	63%	0.629	78%	0.776	S	S	*	*			cis	138.3	178.9	6.1	0	0	0	0	0	112.2
359	R	29.9	Very low	30	Very low	242 Å²	242	132.3 Å²	132.3	91%	0.913	77%	0.769	S	S	*	*			trans	71.8	150.5	-171.8	-48.5	173.1	71.3	-169.4	3.2	113.6
360	S	30.2	Very low	30	Very low	81 Å²	81	133.5 Å²	133.5	57%	0.566	77%	0.77	S	S	*	*			cis	-158.3	164.9	-20.4	-105.6	0	0	0	0	110.6
361	E	30.2	Very low	30.2	Very low	146 Å²	146	130.5 Å²	130.5	68%	0.682	76%	0.756	S	S	*	*			trans	-18.3	159.8	146.6	-60.1	125.3	133	0	0	118
362	Q	29.7	Very low	30.2	Very low	162 Å²	162	134 Å²	134	76%	0.757	75%	0.753	S	S	*	*			cis	-171.2	172.9	-4.1	-110.7	168.4	10.2	0	0	108.6
363	S	29.8	Very low	30.3	Very low	116 Å²	116	129.7 Å²	129.7	81%	0.811	74%	0.744	S	S	*	*			trans	61.2	168.2	156.3	49.3	0	0	0	0	118.3
364	A	28.7	Very low	30.3	Very low	72 Å²	72	131.1 Å²	131.1	60%	0.595	74%	0.743	S	S	*	*			cis	-174.2	160.6	-38.7	0	0	0	0	0	107.3
365	E	30.1	Very low	30.7	Very low	188 Å²	188	132.5 Å²	132.5	88%	0.879	74%	0.74	S	S	*	*			trans	64.6	158.7	162	-71.7	157	-143.9	0	0	116.7
366	D	28.7	Very low	30.9	Very low	134 Å²	134	133.8 Å²	133.8	72%	0.717	74%	0.738	S	S	*	*			cis	-166.1	172.9	-29.9	-169.2	20.4	0	0	0	109.6
367	V	31.4	Very low	30.9	Very low	112 Å²	112	135.8 Å²	135.8	68%	0.679	74%	0.74	S	S	*	*			trans	57.9	151.1	159.2	-79.5	0	0	0	0	124.2
368	S	30.9	Very low	31.4	Very low	96 Å²	96	138.2 Å²	138.2	67%	0.671	74%	0.738	S	S	*	*			trans	65.7	123.6	159.2	50	0	0	0	0	118.2
369	E	31.5	Very low	32	Very low	169 Å²	169	140.7 Å²	140.7	79%	0.79	73%	0.733	S	S	*	*			cis	101.4	121.7	37.7	-77	167.7	174.5	0	0	112.9
370	E	31.7	Very low	32.1	Very low	172 Å²	172	135.9 Å²	135.9	80%	0.804	72%	0.721	S	S	*	*			trans	70.1	152.9	140.9	-74.8	-178	-165.5	0	0	120.4
371	E	34.6	Very low	32.5	Very low	133 Å²	133	140.1 Å²	140.1	62%	0.621	73%	0.725	S	S	*	*			cis	-153.2	158.4	4.2	-100.3	-122.5	104.7	0	0	112.6
372	Q	31.6	Very low	32.9	Very low	147 Å²	147	141.2 Å²	141.2	69%	0.687	73%	0.73	S	S	*	*			trans	55.1	169.3	141.6	-72.9	-178.5	26	0	0	126.8
373	S	28.4	Very low	33.2	Very low	105 Å²	105	138.7 Å²	138.7	73%	0.734	72%	0.722	S	S	*	*			trans	76.6	122.4	177.3	61.4	0	0	0	0	117.3
374	D	33.6	Very low	33.4	Very low	140 Å²	140	136 Å²	136	75%	0.749	71%	0.712	S	S	*	*			cis	80.5	141.1	41	-54.5	-43.1	0	0	0	112.6
375	E	35.1	Very low	33.7	Very low	171 Å²	171	141.6 Å²	141.6	80%	0.799	72%	0.723	S	S	*	*			cis	-155.1	175	14.2	-141.9	169.4	-149.1	0	0	112.4
376	D	35.9	Very low	33.8	Very low	144 Å²	144	140.8 Å²	140.8	77%	0.77	72%	0.719	S	S	*	*			trans	-24.4	167.5	178.2	-71.5	-38.7	0	0	0	125.6
377	V	29.1	Very low	34	Very low	140 Å²	140	141.4 Å²	141.4	85%	0.848	72%	0.721	S	S	*	*				-172.3	150.8	117.2	147.7	0	0	0	0	114.4
378	E	39.6	Very low	34.7	Very low	172 Å²	172	141.9 Å²	141.9	80%	0.804	73%	0.726	S	S	*	*			trans	-73.3	-176.5	-167	-42.8	176.2	113.3	0	0	118
379	E	40.6	Very low	34.8	Very low	112 Å²	112	141.6 Å²	141.6	52%	0.523	73%	0.73	S	S	.	*			cis	-133.6	-130.6	-1.3	-150	-153.3	129.6	0	0	111.9	R381	E379-R381 VanDerWaalsContact CD-CZ 3.46Å; E379-R381 VanDerWaalsContact CD-NH1 3.3Å; E379-R381 IonicContact OE1-CZ 3.96Å; E379-R381 IonicContact OE1-NE 3.67Å; E379-R381 IonicContact OE1-NH1 2.8Å; E379-R381 PolarHBondContact OE1-NH1 3.18Å; E379-R381 VanDerWaalsContact OE1-NH1 3.12Å; E379-R381 IonicContact OE1-NH2 3.12Å; E379-R381 PolarHBondContact OE1-NH2 2.9Å; E379-R381 IonicContact OE2-CZ 3.42Å; E379-R381 IonicContact OE2-NH1 2.95Å; E379-R381 PolarHBondContact OE2-NH1 3.3Å; E379-R381 IonicContact OE2-NH2 3.54Å; E379-R381 PolarHBondContact OE2-NH2 2.64Å
380	E	33.1	Very low	35.2	Very low	141 Å²	141	139.9 Å²	139.9	66%	0.659	73%	0.73	S	S	*	*			cis	-155.8	-172.6	8.4	-139	-90.6	96.6	0	0	110.8
381	R	37.3	Very low	36.2	Very low	170 Å²	170	136.6 Å²	136.6	64%	0.642	72%	0.724	S	S	*	*			trans	-96.9	179.1	-163.2	-54.9	166.2	-175.8	74.9	17.2	114.7	E379	E379-R381 VanDerWaalsContact CD-CZ 3.46Å; E379-R381 VanDerWaalsContact CD-NH1 3.3Å; E379-R381 IonicContact OE1-CZ 3.96Å; E379-R381 IonicContact OE1-NE 3.67Å; E379-R381 IonicContact OE1-NH1 2.8Å; E379-R381 PolarHBondContact OE1-NH1 3.18Å; E379-R381 VanDerWaalsContact OE1-NH1 3.12Å; E379-R381 IonicContact OE1-NH2 3.12Å; E379-R381 PolarHBondContact OE1-NH2 2.9Å; E379-R381 IonicContact OE2-CZ 3.42Å; E379-R381 IonicContact OE2-NH1 2.95Å; E379-R381 PolarHBondContact OE2-NH1 3.3Å; E379-R381 IonicContact OE2-NH2 3.54Å; E379-R381 PolarHBondContact OE2-NH2 2.64Å
382	E	39.9	Very low	36.2	Very low	170 Å²	170	139 Å²	139	79%	0.794	74%	0.735	S	S	*	*			cis	-153.1	-170.4	-4.4	-143.3	-159.1	174	0	0	107.1
383	N	35.8	Very low	36.3	Very low	109 Å²	109	137.3 Å²	137.3	58%	0.583	74%	0.74	S	S	*	*			cis	-162.2	150.6	-0.1	-169.3	-50.2	0	0	0	105
384	G	34.2	Very low	36.5	Very low	59 Å²	59	141.4 Å²	141.4	61%	0.608	74%	0.739	S	S	*	*			cis	144.5	171.8	-0.6	0	0	0	0	0	111.2
385	K	34.8	Very low	36.2	Very low	189 Å²	189	142.3 Å²	142.3	82%	0.822	74%	0.736	S	S	*	*			trans	69.6	136.7	178.7	-56.9	-178.4	-178.8	176.7	0	116.8
386	H	32	Very low	36.1	Very low	172 Å²	172	139.5 Å²	139.5	80%	0.796	73%	0.727	S	S	*	*			cis	-152.8	154.8	-2	-144.5	-77.1	0	0	0	111.7
387	I	32.1	Very low	36	Very low	147 Å²	147	139.7 Å²	139.7	75%	0.754	72%	0.723	S	S	*	*			trans	-122	167.9	175.1	-19.1	178.4	0	0	0	110.7
388	P	47	Very low	36	Very low	122 Å²	122	139.6 Å²	139.6	79%	0.792	72%	0.718	S	S	*	*				-140.6	176.1	90.8	21	2.2	0	0	0	113.8
389	A	33.5	Very low	35.5	Very low	90 Å²	90	137 Å²	137	74%	0.744	72%	0.719	S	S	*	*			cis	-169	-176.7	-18.8	0	0	0	0	0	109.5
390	V	38.8	Very low	35.1	Very low	133 Å²	133	140.8 Å²	140.8	81%	0.806	74%	0.736	S	S	*	*			trans	-135.9	-177.6	173.4	-152.3	0	0	0	0	108.9
391	P	53.8	Low	35	Very low	102 Å²	102	142.1 Å²	142.1	66%	0.662	74%	0.743	S	S	*	*				-148.2	149.4	90.7	35.6	-15.3	0	0	0	115.8
392	E	35	Very low	34.6	Very low	183 Å²	183	140.3 Å²	140.3	86%	0.855	75%	0.751	S	S	*	*				66.9	164	97.4	-46.9	-175.9	120.7	0	0	115.9
393	S	32.6	Very low	34	Very low	113 Å²	113	136 Å²	136	79%	0.79	75%	0.751	S	S	*	*			cis	-161.5	-175.6	10.6	57.7	0	0	0	0	109.7
394	R	31.8	Very low	33.9	Very low	191 Å²	191	139.7 Å²	139.7	72%	0.721	77%	0.765	S	S	*	*				-174	137.3	-53.3	178.1	-174	163.2	176.7	-4.1	110.6
395	F	28.6	Very low	33.6	Very low	158 Å²	158	145.4 Å²	145.4	69%	0.693	78%	0.776	S	S	*	*			trans	67.4	159	160	-86.8	-139.3	0	0	0	118
396	D	32.8	Very low	33.6	Very low	112 Å²	112	144.8 Å²	144.8	60%	0.599	78%	0.776	S	S	*	*			cis	-164.8	173.5	-26	-136.1	-23.2	0	0	0	113.6
397	H	33.3	Very low	33.6	Very low	148 Å²	148	145.9 Å²	145.9	69%	0.685	78%	0.781	S	S	*	*			trans	66.7	125.3	150.7	-90.5	-72.2	0	0	0	125.8
398	D	28.5	Very low	33.5	Very low	138 Å²	138	146.1 Å²	146.1	74%	0.738	78%	0.784	S	S	*	*				96.4	147.1	123.5	-87.7	12.3	0	0	0	128.2
399	S	31	Very low	32.7	Very low	118 Å²	118	147.4 Å²	147.4	83%	0.825	78%	0.784	S	S	*	*			trans	95.7	143.2	160.2	-56.5	0	0	0	0	119.2
400	E	31	Very low	32.7	Very low	192 Å²	192	151.5 Å²	151.5	90%	0.897	79%	0.788	S	S	*	*			trans	-118.2	-179.2	-164.1	-56.1	-173.2	117.3	0	0	114.1
401	E	32.1	Very low	32.5	Very low	169 Å²	169	153.2 Å²	153.2	79%	0.79	79%	0.788	S	S	*	*			trans	98.9	136.4	141.8	-127.6	-167.6	-178	0	0	121.9
402	T	28.1	Very low	31.7	Very low	132 Å²	132	155 Å²	155	81%	0.81	79%	0.787	S	S	*	*			trans	70.4	151.3	160.7	70.4	0	0	0	0	121.1
403	G	28.3	Very low	31.8	Very low	78 Å²	78	153.6 Å²	153.6	80%	0.804	78%	0.781	S	S	*	*			trans	131	93.7	161	0	0	0	0	0	115.3
404	E	32.1	Very low	31.8	Very low	187 Å²	187	154.5 Å²	154.5	87%	0.874	78%	0.777	S	S	*	*			trans	-95.1	178.7	175.1	-63.9	173.6	117.5	0	0	112.3
405	E	29.3	Very low	32	Very low	179 Å²	179	151.9 Å²	151.9	84%	0.836	78%	0.777	S	S	*	*			trans	74.1	125.4	167.6	-62.7	165.3	-178.6	0	0	116
406	E	34.1	Very low	32.3	Very low	177 Å²	177	152.1 Å²	152.1	83%	0.827	78%	0.78	S	S	*	*			cis	80.6	110.7	43.5	-62.8	-98.6	-177.4	0	0	113.5
407	E	30.9	Very low	32.5	Very low	194 Å²	194	154.3 Å²	154.3	91%	0.907	79%	0.787	S	S	*	*				178	168.5	127.9	-96.2	-178.7	176.6	0	0	111.9
408	D	31	Very low	32.5	Very low	153 Å²	153	154.6 Å²	154.6	82%	0.818	79%	0.788	S	S	*	*			trans	-106.7	-147	-159.6	-84.5	-52.4	0	0	0	114.4
409	D	29.4	Very low	32.6	Very low	148 Å²	148	151.3 Å²	151.3	79%	0.791	79%	0.787	S	S	*	*			trans	75.2	108.7	175.2	-56.6	-14.6	0	0	0	116
410	E	34.4	Very low	32.7	Very low	176 Å²	176	154.9 Å²	154.9	82%	0.822	78%	0.782	S	S	*	*			cis	88.6	157.2	44.3	-64.3	-149.4	144.5	0	0	114.9
411	E	35.1	Very low	32.8	Very low	170 Å²	170	153.6 Å²	153.6	79%	0.794	78%	0.776	S	S	*	*			trans	71.7	147.4	167.7	-59.1	-159.4	166.7	0	0	120
412	E	36.5	Very low	32.7	Very low	138 Å²	138	149.6 Å²	149.6	65%	0.645	78%	0.781	S	S	*	*			cis	-157.1	147	-18.7	-90.7	-88.7	81.5	0	0	109.9
413	E	37.9	Very low	32.8	Very low	155 Å²	155	150.2 Å²	150.2	72%	0.724	78%	0.779	S	S	*	*			trans	61	171.9	134	-63.4	-161	139.8	0	0	127.6
414	D	32.7	Very low	33.6	Very low	132 Å²	132	151.9 Å²	151.9	71%	0.706	78%	0.775	S	S	*	*			trans	81.8	83.6	159.4	-68.6	-1.8	0	0	0	124.2
415	D	34.3	Very low	33.6	Very low	135 Å²	135	148.3 Å²	148.3	72%	0.722	77%	0.767	S	S	*	*				77.8	145	102	-87.4	0.5	0	0	0	127.5
416	E	35.8	Very low	34.3	Very low	163 Å²	163	144.4 Å²	144.4	76%	0.762	76%	0.757	S	S	*	*			trans	57.1	145.3	145	-73.5	-170	173	0	0	122.7
417	E	36.8	Very low	34.1	Very low	159 Å²	159	144.6 Å²	144.6	74%	0.743	76%	0.758	S	S	*	*			cis	-160.9	171.4	-20.7	-144.3	-160.7	179.6	0	0	110.4
418	E	34.4	Very low	34.1	Very low	154 Å²	154	140.5 Å²	140.5	72%	0.72	75%	0.751	S	S	*	*			trans	41.3	158.4	153.6	-77.7	-96.8	116.7	0	0	122.8
419	G	30.5	Very low	34.1	Very low	69 Å²	69	141.5 Å²	141.5	71%	0.711	75%	0.75	S	S	*	*			trans	-178.8	-29.8	165.3	0	0	0	0	0	125.3
420	R	32.7	Very low	34.1	Very low	193 Å²	193	140.1 Å²	140.1	73%	0.728	75%	0.747	S	S	*	*			trans	65.2	131.9	172	-66.7	175.4	171.1	-104.6	0.1	122.6
421	E	32	Very low	34	Very low	165 Å²	165	139.6 Å²	139.6	77%	0.771	75%	0.745	S	S	*	*				56.7	118.5	128.5	-56.9	174.3	119.2	0	0	121.9
422	G	30.2	Very low	33.7	Very low	85 Å²	85	136.1 Å²	136.1	88%	0.876	74%	0.739	S	S	*	*			trans	166	78.2	162.1	0	0	0	0	0	118.6
423	D	30.1	Very low	33.4	Very low	144 Å²	144	140.7 Å²	140.7	77%	0.77	75%	0.751	S	S	*	*			trans	-86.6	150.9	159.8	-158.1	50.6	0	0	0	107.8
424	P	45.5	Very low	33	Very low	113 Å²	113	138 Å²	138	73%	0.734	75%	0.749	S	S	*	*			cis	-143.8	171.9	41.4	41.3	-19.9	0	0	0	120.6
425	T	31.7	Very low	33.6	Very low	113 Å²	113	137.6 Å²	137.6	69%	0.693	75%	0.753	S	S	*	*			trans	-47.5	163.4	158.3	27	0	0	0	0	113.8
426	P	45.2	Very low	33.5	Very low	97 Å²	97	137.2 Å²	137.2	63%	0.63	76%	0.756	S	S	*	*			cis	-155.9	-176.6	46.7	45.8	-24.8	0	0	0	119.7
427	Q	29.2	Very low	34.1	Very low	180 Å²	180	134.2 Å²	134.2	84%	0.841	75%	0.75	S	S	*	*			trans	70.3	152.8	153.1	-78.4	162.5	19.9	0	0	117.7
428	S	30.9	Very low	34	Very low	109 Å²	109	135.5 Å²	135.5	76%	0.762	76%	0.757	S	S	*	*			cis	-152.9	172	-4.4	39.6	0	0	0	0	112.7
429	Q	30.7	Very low	33.9	Very low	173 Å²	173	136.1 Å²	136.1	81%	0.808	76%	0.76	S	S	*	*			trans	-60.7	155.5	179.6	-57.3	149.8	-15.3	0	0	113.6
430	T	29.5	Very low	34.2	Very low	119 Å²	119	139.1 Å²	139.1	73%	0.73	76%	0.759	S	S	*	*				179.1	153.3	108.7	30.3	0	0	0	0	114.9
431	H	32.6	Very low	34.3	Very low	165 Å²	165	139.4 Å²	139.4	76%	0.764	76%	0.762	S	S	*	*			trans	2.5	156.6	148.3	-53.1	-48.2	0	0	0	122.1
432	S	29.1	Very low	34.6	Very low	97 Å²	97	136.8 Å²	136.8	68%	0.678	75%	0.752	S	S	*	*			cis	-178.1	152.1	-13.4	-91.5	0	0	0	0	110.7
433	R	29.9	Very low	35.2	Very low	235 Å²	235	138.8 Å²	138.8	89%	0.887	75%	0.75	S	S	*	*			trans	61.7	113.9	150.9	-85.1	-177.9	164.6	178.7	-6	121.9
434	S	28.8	Very low	35.6	Very low	99 Å²	99	140.6 Å²	140.6	69%	0.692	75%	0.753	S	S	*	*				38.4	146.5	116.6	66.1	0	0	0	0	121.7
435	P	46.8	Very low	35.8	Very low	122 Å²	122	140.6 Å²	140.6	79%	0.792	76%	0.756	S	S	*	*			cis	-147.2	-169.2	38.8	42.9	-21.6	0	0	0	118.7
436	T	31.6	Very low	36.6	Very low	127 Å²	127	140.7 Å²	140.7	78%	0.779	76%	0.759	S	S	*	*			trans	-64.1	-176.6	178.9	56	0	0	0	0	115.9
437	P	47	Very low	36.6	Very low	100 Å²	100	142.2 Å²	142.2	65%	0.649	77%	0.769	S	S	*	*			cis	-140.1	-168.8	6.3	43.6	-23.8	0	0	0	117.5
438	E	35.1	Very low	37.2	Very low	187 Å²	187	140 Å²	140	87%	0.874	77%	0.767	S	S	*	*			trans	86.3	149.7	149.5	-86.3	161	-136.6	0	0	122.8
439	E	32.9	Very low	38	Very low	167 Å²	167	139.3 Å²	139.3	78%	0.78	76%	0.762	S	S	*	*			trans	-89.2	165.4	-160.4	-49.9	173	148.7	0	0	111.8
440	N	36.1	Very low	39	Very low	132 Å²	132	137 Å²	137	71%	0.706	76%	0.762	S	S	*	*				-173.5	163.3	52.1	-125.3	-54.4	0	0	0	114
441	Y	34.6	Very low	39.9	Very low	198 Å²	198	137.4 Å²	137.4	78%	0.776	76%	0.764	S	S	*	*			trans	77.6	112.9	152.2	-128.3	-118.8	0	0	0	123.7
442	I	39.7	Very low	40.7	Very low	111 Å²	111	137.8 Å²	137.8	57%	0.569	77%	0.766	S	S	*	*			trans	49	124	149.6	-56.4	-173.4	0	0	0	121.4	E444	I442-E444 HydrophobicContact CG2-CG 4.41Å
443	P	42.6	Very low	41.5	Very low	127 Å²	127	140.5 Å²	140.5	83%	0.825	77%	0.772	S	S	*	*			trans	-115.8	145	133.7	34.2	-24.8	0	0	0	112.6
444	E	37.6	Very low	42.5	Very low	182 Å²	182	138.9 Å²	138.9	85%	0.85	77%	0.772	S	S	*	*			trans	-82.1	126.8	175.9	-62.7	174.7	119.7	0	0	112	I442	I442-E444 HydrophobicContact CG2-CG 4.41Å
445	S	50.1	Low	43.6	Very low	113 Å²	113	143.3 Å²	143.3	79%	0.79	78%	0.778	S	S	*	*			trans	-167.7	149.1	161.1	-81.2	0	0	0	0	110.2
446	P	48.8	Very low	43.8	Very low	115 Å²	115	145.1 Å²	145.1	75%	0.747	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-67.7	153.2	-176.3	27.6	-34.9	0	0	0	112.7	V448	P446-V448 PolarHBondContact O-N 3.26Å
447	P	44.1	Very low	44.7	Very low	129 Å²	129	146.1 Å²	146.1	84%	0.838	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-69.1	132.3	-172.5	27.4	-34.8	0	0	0	112.7
448	V	42.6	Very low	45.1	Very low	133 Å²	133	146.2 Å²	146.2	81%	0.806	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-64.9	138.4	169.9	-175.1	0	0	0	0	109.2	P446	P446-V448 PolarHBondContact O-N 3.26Å
449	S	48.1	Very low	46	Very low	95 Å²	95	146.4 Å²	146.4	66%	0.664	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-57.4	148.5	174	47.4	0	0	0	0	111.4	V451	S449-V451 PolarHBondContact O-N 2.72Å
450	P	50.8	Low	46.9	Very low	125 Å²	125	147.8 Å²	147.8	81%	0.812	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-55.8	126	-178.8	-25.8	34.8	0	0	0	111.2	E452	P450-E452 PolarHBondContact O-N 3.12Å
451	V	48.3	Very low	47.6	Very low	127 Å²	127	148.6 Å²	148.6	77%	0.77	78%	0.778	S	S	*	*			trans	-58.2	111	174.7	176.1	0	0	0	0	108	S449 L453	S449-V451 PolarHBondContact O-N 2.72Å; V451-L453 PolarHBondContact O-N 2.99Å
452	E	49.1	Very low	48.4	Very low	172 Å²	172	144.3 Å²	144.3	80%	0.804	77%	0.774	S	S	*	*			trans	-55	117.7	167.7	-77.3	-157.7	113.1	0	0	108.1	P450 K454	P450-E452 PolarHBondContact O-N 3.12Å; E452-K454 PolarHBondContact O-N 2.86Å
453	L	47.5	Very low	48.8	Very low	155 Å²	155	142.7 Å²	142.7	81%	0.812	78%	0.778	S	S	*	*			trans	-57.9	111.3	164.8	-84	80.2	0	0	0	106.2	V451 K455	V451-L453 PolarHBondContact O-N 2.99Å; L453-K455 VanDerWaalsContact C-N 3.31Å; L453-K455 PolarHBondContact O-N 2.84Å
454	K	49.8	Very low	49.4	Very low	201 Å²	201	145.8 Å²	145.8	87%	0.874	79%	0.786	S	S	*	*			trans	-51.9	101.2	166.8	-72.6	-175.6	177.5	-179.1	0	106.9	E452 E456	E452-K454 PolarHBondContact O-N 2.86Å; K454-E456 PolarHBondContact O-N 2.79Å
455	K	53.1	Low	50.4	Low	191 Å²	191	145.4 Å²	145.4	83%	0.83	78%	0.784	S	S	*	*			trans	-56.7	109.8	174.3	-71.9	169.4	-178.8	160	0	105.6	L453 L457	L453-K455 VanDerWaalsContact C-N 3.31Å; L453-K455 PolarHBondContact O-N 2.84Å; K455-L457 PolarHBondContact O-N 3.12Å
456	E	51.3	Low	51.1	Low	160 Å²	160	143.2 Å²	143.2	75%	0.748	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-53.3	120.5	175.3	-75.9	-160.5	155.6	0	0	107.1	K454	K454-E456 PolarHBondContact O-N 2.79Å
457	L	50.6	Low	52.7	Low	149 Å²	149	141.3 Å²	141.3	78%	0.78	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-54.2	134.9	170.9	-71.4	170	0	0	0	107.1	K455 K459	K455-L457 PolarHBondContact O-N 3.12Å; L457-K459 PolarHBondContact O-N 3.28Å
458	P	54.1	Low	54.9	Low	101 Å²	101	137.7 Å²	137.7	66%	0.656	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-49.5	143.8	-178.8	-28.5	34.6	0	0	0	110.8	Y460	P458-Y460 PolarHBondContact O-N 3.23Å
459	K	55.3	Low	57.1	Low	191 Å²	191	133 Å²	133	83%	0.83	71%	0.712	S	S	*	*	S	Bend	trans	-64.8	17.3	-179.9	-66.1	-178.7	178.4	175	0	114.5	L457	L457-K459 PolarHBondContact O-N 3.28Å
460	Y	50.2	Low	59.2	Low	196 Å²	196	129.3 Å²	129.3	77%	0.769	69%	0.685	S	S	*	*			trans	-99	50.1	169.6	-107.7	-90.1	0	0	0	111.4	P458 P462	P458-Y460 PolarHBondContact O-N 3.23Å; Y460-P462 WeakPolarHBondContact O-CD 3.43Å
461	L	51.9	Low	61.1	Low	150 Å²	150	129 Å²	129	79%	0.785	67%	0.672	S	S	*	*			trans	-76.6	110.3	134.1	-72.4	178.1	0	0	0	105.7	A463	L461-A463 PolarHBondContact O-N 2.65Å
462	P	50	Low	63.2	Low	107 Å²	107	125.2 Å²	125.2	70%	0.695	65%	0.646	S	S	*	*			trans	-64.1	112.1	168.3	-13	29.1	0	0	0	106.8	Y460	Y460-P462 WeakPolarHBondContact O-CD 3.43Å
463	A	48.9	Very low	65.3	Low	78 Å²	78	117.4 Å²	117.4	65%	0.645	61%	0.61	S	S	*	*			trans	-53.3	155	158.2	0	0	0	0	0	108.4	L461 Q465	L461-A463 PolarHBondContact O-N 2.65Å; A463-Q465 PolarHBondContact O-N 3.42Å
464	L	55.7	Low	67.5	Low	192 Å²	192	114.9 Å²	114.9	100%	1.005	59%	0.594	S	S	*	*	S	Bend	trans	-73.2	53.4	179.3	-69.9	168.5	0	0	0	112.1
465	Q	58	Low	69.6	Low	173 Å²	173	108.5 Å²	108.5	81%	0.808	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-84.8	122.1	174.3	-173.1	164.7	3.2	0	0	108.3	A463	A463-Q465 PolarHBondContact O-N 3.42Å
466	G	65.2	Low	71.4	Confident	68 Å²	68	102.7 Å²	102.7	70%	0.701	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-61.7	147.6	-177.8	0	0	0	0	0	112.8
467	C	82.3	Confident	73.2	Confident	75 Å²	75	97.4 Å²	97.4	51%	0.507	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-50.5	138.3	174.1	-59	0	0	0	0	111.6	I538 V540	C467-I538 VanDerWaalsContact CB-O 3.31Å; C467-I538 WeakPolarHBondContact CB-O 3.13Å; C467-V540 HydrophobicContact CB-CG1 4.09Å; C467-V540 HydrophobicContact CB-CG2 4.03Å
468	R	90.4	Very high	75	Confident	52 Å²	52	95.8 Å²	95.8	20%	0.196	51%	0.512	C	S	.	.	P	Polyproline II helix	trans	-61.9	152.6	177	-69.6	172.5	55.8	-159.4	6.1	110.9	E472 D492 E537 V539 V540	R468-E472 IonicContact CZ-OE2 3.12Å; R468-E472 IonicContact NE-OE2 3.8Å; R468-E472 PolarHBondContact NE-OE2 3.42Å; R468-E472 IonicContact NH2-OE2 3.82Å; R468-E472 PolarHBondContact NH2-OE2 2.86Å; R468-D492 IonicContact CZ-OD1 2.74Å; R468-D492 IonicContact CZ-OD2 2.88Å; R468-D492 IonicContact NH1-OD1 3.59Å; R468-D492 IonicContact NH1-OD2 3.56Å; R468-D492 PolarHBondContact NH1-OD2 2.95Å; R468-D492 VanDerWaalsContact NH2-CG 3.3Å; R468-D492 IonicContact NH2-OD1 2.74Å; R468-D492 PolarHBondContact NH2-OD1 2.92Å; R468-D492 IonicContact NH2-OD2 3.38Å; R468-D492 PolarHBondContact NH2-OD2 2.75Å; R468-D492 VanDerWaalsContact NH2-OD2 3.12Å; R468-E537 WeakPolarHBondContact CD-OE1 3.45Å; R468-E537 VanDerWaalsContact CD-OE2 3.27Å; R468-E537 WeakPolarHBondContact CD-OE2 3.36Å; R468-E537 IonicContact CZ-OE1 3.83Å; R468-E537 IonicContact NE-OE1 3.25Å; R468-E537 IonicContact NH1-OE1 2.68Å; R468-E537 PolarHBondContact NH1-OE1 3.29Å; R468-V539 HydrophobicContact CB-CG1 3.99Å; R468-V539 WeakPolarHBondContact O-CA 3.45Å; R468-V539 VanDerWaalsContact O-CB 3.29Å; R468-V539 WeakPolarHBondContact O-CB 3.35Å; R468-V540 PolarHBondContact O-N 2.91Å; R468-V540 VanDerWaalsContact O-N 3.09Å
469	S	89.6	Confident	76.4	Confident	36 Å²	36	94.2 Å²	94.2	25%	0.252	50%	0.497	S	S	.	.	B	Isolated β-bridge	trans	-70.4	136.5	173.1	-179.9	0	0	0	0	110.3	E471 E472 V540	S469-E471 PolarHBondContact O-N 3.47Å; S469-E471 VanDerWaalsContact O-N 3.12Å; S469-E471 WeakPolarHBondContact OG-CB 3.43Å; S469-E471 PolarHBondContact OG-N 3.2Å; S469-E471 VanDerWaalsContact OG-N 3.16Å; S469-E471 PolarHBondContact OG-OE2 2.92Å; S469-E472 WeakPolarHBondContact O-CB 3.32Å; S469-E472 WeakPolarHBondContact O-CG 3.39Å; S469-E472 PolarHBondContact O-N 3.48Å; S469-V540 CarbonylContact C-O 3.53Å; S469-V540 VanDerWaalsContact CA-O 3.28Å; S469-V540 WeakPolarHBondContact CA-O 3.43Å
470	V	91.3	Very high	77.3	Confident	17 Å²	17	89.9 Å²	89.9	10%	0.103	48%	0.48	C	S	.	.	G	3₁₀ helix	trans	-60	-20.7	170.6	74.1	0	0	0	0	112.2	E472 F473 L501 V539 V540 Y548	V470-E472 PolarHBondContact O-N 3.49Å; V470-F473 WeakPolarHBondContact O-CB 3.2Å; V470-F473 PolarHBondContact O-N 3.14Å; V470-L501 HydrophobicContact CG2-CD1 4.37Å; V470-V539 HydrophobicContact CB-CG2 4.09Å; V470-V539 HydrophobicContact CG2-CG2 4.07Å; V470-V540 PolarHBondContact N-O 2.99Å; V470-Y548 HydrophobicContact CB-CD2 4.13Å; V470-Y548 HydrophobicContact CB-CE2 4.3Å; V470-Y548 HydrophobicContact CG1-CE2 4.27Å; V470-Y548 HydrophobicContact CG2-CD2 3.6Å; V470-Y548 HydrophobicContact CG2-CE2 3.75Å; V470-Y548 HydrophobicContact CG2-CG 4.05Å
471	E	90.4	Very high	78.3	Confident	118 Å²	118	86.8 Å²	86.8	55%	0.551	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-69.3	-14.2	176	-64.1	158.5	-178.8	0	0	112.7	S469 F473 K493	S469-E471 PolarHBondContact O-N 3.47Å; S469-E471 VanDerWaalsContact O-N 3.12Å; S469-E471 WeakPolarHBondContact OG-CB 3.43Å; S469-E471 PolarHBondContact OG-N 3.2Å; S469-E471 VanDerWaalsContact OG-N 3.16Å; S469-E471 PolarHBondContact OG-OE2 2.92Å; E471-F473 PolarHBondContact O-N 3.09Å; E471-K493 WeakPolarHBondContact O-CE 3.48Å; E471-K493 PolarHBondContact O-NZ 2.99Å
472	E	91.7	Very high	78.9	Confident	47 Å²	47	81.6 Å²	81.6	22%	0.22	46%	0.455	C	S	.	.	G	3₁₀ helix	trans	-72.1	-6.5	167.5	-59.9	-169.3	-170.5	0	0	113.2	R468 S469 V470 K493 K494	R468-E472 IonicContact CZ-OE2 3.12Å; R468-E472 IonicContact NE-OE2 3.8Å; R468-E472 PolarHBondContact NE-OE2 3.42Å; R468-E472 IonicContact NH2-OE2 3.82Å; R468-E472 PolarHBondContact NH2-OE2 2.86Å; S469-E472 WeakPolarHBondContact O-CB 3.32Å; S469-E472 WeakPolarHBondContact O-CG 3.39Å; S469-E472 PolarHBondContact O-N 3.48Å; V470-E472 PolarHBondContact O-N 3.49Å; E472-K493 WeakPolarHBondContact O-CB 3.41Å; E472-K493 WeakPolarHBondContact O-CD 3.49Å; E472-K493 WeakPolarHBondContact O-CG 3.49Å; E472-K493 PolarHBondContact O-N 3.31Å; E472-K494 IonicContact OE1-NZ 2.81Å; E472-K494 PolarHBondContact OE1-NZ 3.02Å; E472-K494 WeakPolarHBondContact OE2-CD 3.41Å; E472-K494 WeakPolarHBondContact OE2-CE 3.27Å; E472-K494 IonicContact OE2-NZ 2.7Å; E472-K494 PolarHBondContact OE2-NZ 3.38Å
473	F	94.5	Very high	79.1	Confident	8 Å²	8	81.5 Å²	81.5	4%	0.035	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	130.4	-180	-61	-99	0	0	0	110.3	V470 E471 C475 A490 K491 D492 V499 L501 V539 V550	V470-F473 WeakPolarHBondContact O-CB 3.2Å; V470-F473 PolarHBondContact O-N 3.14Å; E471-F473 PolarHBondContact O-N 3.09Å; F473-C475 PolarHBondContact O-N 3.22Å; F473-A490 HydrophobicContact CB-CB 4.41Å; F473-K491 CarbonylContact C-O 3.56Å; F473-K491 WeakPolarHBondContact CA-O 3.1Å; F473-D492 HydrophobicContact CD1-CB 3.94Å; F473-D492 HydrophobicContact CE1-CB 3.74Å; F473-V499 HydrophobicContact CD1-CG2 3.76Å; F473-V499 HydrophobicContact CE1-CG2 4.01Å; F473-L501 HydrophobicContact CB-CD1 3.96Å; F473-L501 HydrophobicContact CD1-CD2 4.26Å; F473-L501 HydrophobicContact CG-CD1 4.41Å; F473-L501 HydrophobicContact CG-CD2 4.44Å; F473-V539 HydrophobicContact CE2-CB 4.36Å; F473-V539 HydrophobicContact CE2-CG1 3.72Å; F473-V539 HydrophobicContact CE2-CG2 4.37Å; F473-V539 HydrophobicContact CZ-CG1 4.12Å; F473-V550 HydrophobicContact CE1-CG1 4.03Å; F473-V550 HydrophobicContact CE1-CG2 4.42Å; F473-V550 HydrophobicContact CZ-CG1 4.41Å; F473-V550 HydrophobicContact CZ-CG2 4.16Å
474	Q	94.2	Very high	79.6	Confident	102 Å²	102	80.6 Å²	80.6	48%	0.477	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	98.6	171.6	-173.3	-175.1	16.2	0	0	108.9	L476 A490 K491 K493	Q474-L476 HydrophobicContact CG-CD2 4.02Å; Q474-L476 PolarHBondContact O-N 2.88Å; Q474-A490 CarbonylContact O-C 3.5Å; Q474-A490 WeakPolarHBondContact O-CA 3.45Å; Q474-A490 WeakPolarHBondContact O-CB 3.19Å; Q474-K491 HydrophobicContact CB-CB 4.27Å; Q474-K491 PolarHBondContact N-O 3.46Å; Q474-K491 PolarHBondContact O-N 3.25Å; Q474-K493 HydrophobicContact CB-CG 4.47Å
475	C	92.2	Very high	80.4	Confident	67 Å²	67	71.9 Å²	71.9	45%	0.453	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	122.7	169.3	-68.2	0	0	0	0	110.2	F473	F473-C475 PolarHBondContact O-N 3.22Å
476	L	90.8	Very high	81.7	Confident	69 Å²	69	64 Å²	64	36%	0.361	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	-58.3	-176.6	-57.7	178.3	0	0	0	111	Q474 R489 K491 I498	Q474-L476 HydrophobicContact CG-CD2 4.02Å; Q474-L476 PolarHBondContact O-N 2.88Å; L476-R489 WeakPolarHBondContact CB-O 3.41Å; L476-R489 PolarHBondContact N-O 3.38Å; L476-K491 HydrophobicContact CD1-CB 4.33Å; L476-I498 HydrophobicContact CD1-CD1 3.79Å
477	N	90.3	Very high	82.8	Confident	49 Å²	49	61.7 Å²	61.7	26%	0.262	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	155.1	-179.2	59.7	-80.8	0	0	0	111.8	Y488 R489 S777	N477-Y488 CarbonylContact O-C 3.58Å; N477-Y488 WeakPolarHBondContact O-CA 3.38Å; N477-R489 PolarHBondContact N-O 3.02Å; N477-R489 PolarHBondContact O-N 2.94Å; N477-S777 PolarHBondContact ND2-O 3.16Å; N477-S777 PolarHBondContact OD1-O 3.27Å
478	R	88.4	Confident	83.3	Confident	115 Å²	115	60.5 Å²	60.5	43%	0.434	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	136.9	169.6	-157.1	-178.4	-151.7	-162.8	2.6	108.9	E481 V486 Y488	R478-E481 VanDerWaalsContact CZ-CD 3.5Å; R478-E481 IonicContact CZ-OE1 2.85Å; R478-E481 IonicContact CZ-OE2 3.32Å; R478-E481 VanDerWaalsContact NH1-CD 3.31Å; R478-E481 IonicContact NH1-OE1 3.32Å; R478-E481 IonicContact NH1-OE2 3.21Å; R478-E481 PolarHBondContact NH1-OE2 3.09Å; R478-E481 IonicContact NH2-OE1 2.67Å; R478-E481 PolarHBondContact NH2-OE1 3.4Å; R478-E481 IonicContact NH2-OE2 3.55Å; R478-E481 PolarHBondContact NH2-OE2 3.31Å; R478-V486 HydrophobicContact CG-CG1 4.04Å; R478-V486 VanDerWaalsContact NH2-CG2 3.35Å; R478-Y488 HydrophobicContact CB-CD1 4.44Å; R478-Y488 HydrophobicContact CG-CD1 4.44Å; R478-Y488 HydrophobicContact CG-CE1 4.36Å
479	I	83.3	Confident	83.4	Confident	69 Å²	69	59.7 Å²	59.7	35%	0.354	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	-58.7	169.8	-57.7	169.7	0	0	0	108.1	V487 R489 Y553	I479-V487 HydrophobicContact CB-CG1 4.5Å; I479-V487 HydrophobicContact CD1-CG1 4.22Å; I479-V487 PolarHBondContact N-O 3.45Å; I479-R489 HydrophobicContact CD1-CB 3.85Å; I479-R489 HydrophobicContact CG1-CB 3.89Å; I479-Y553 HydrophobicContact CD1-CD2 4.01Å; I479-Y553 HydrophobicContact CD1-CE2 3.78Å
480	E	74.7	Confident	83.7	Confident	99 Å²	99	58 Å²	58	46%	0.463	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	155.3	-167.2	-162.8	178.5	-171.8	0	0	112.9	V486 V487	E480-V486 WeakPolarHBondContact O-CG1 3.4Å; E480-V487 HydrophobicContact CB-CB 4.2Å; E480-V487 HydrophobicContact CB-CG2 4.31Å; E480-V487 PolarHBondContact N-O 2.96Å; E480-V487 PolarHBondContact O-N 2.78Å
481	E	71.6	Confident	83.9	Confident	131 Å²	131	59.7 Å²	59.7	61%	0.612	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.1	107.7	168.4	173.4	160.1	-122.9	0	0	108.8	R478	R478-E481 VanDerWaalsContact CZ-CD 3.5Å; R478-E481 IonicContact CZ-OE1 2.85Å; R478-E481 IonicContact CZ-OE2 3.32Å; R478-E481 VanDerWaalsContact NH1-CD 3.31Å; R478-E481 IonicContact NH1-OE1 3.32Å; R478-E481 IonicContact NH1-OE2 3.21Å; R478-E481 PolarHBondContact NH1-OE2 3.09Å; R478-E481 IonicContact NH2-OE1 2.67Å; R478-E481 PolarHBondContact NH2-OE1 3.4Å; R478-E481 IonicContact NH2-OE2 3.55Å; R478-E481 PolarHBondContact NH2-OE2 3.31Å
482	G	62.6	Low	84.2	Confident	41 Å²	41	54.3 Å²	54.3	42%	0.423	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	178.8	-176.5	0	0	0	0	0	112.7	Y484 G485	G482-Y484 PolarHBondContact O-N 2.85Å; G482-G485 PolarHBondContact N-O 3.49Å; G482-G485 PolarHBondContact O-N 3.37Å; G482-G485 VanDerWaalsContact O-O 3.08Å
483	T	55.2	Low	84.3	Confident	106 Å²	106	58.3 Å²	58.3	65%	0.65	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-37.8	-178.7	-51.5	0	0	0	0	113
484	Y	59.6	Low	84.3	Confident	58 Å²	58	64.6 Å²	64.6	23%	0.227	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-8.5	-171.9	-55.2	-65.8	0	0	0	114.5	G482 D615 L618	G482-Y484 PolarHBondContact O-N 2.85Å; Y484-D615 WeakPolarHBondContact CD2-OD2 3.45Å; Y484-L618 HydrophobicContact CE1-CG 4.4Å; Y484-L618 HydrophobicContact CE2-CD1 3.79Å; Y484-L618 HydrophobicContact CE2-CG 4.07Å; Y484-L618 VanDerWaalsContact OH-CD1 3.28Å; Y484-L618 WeakPolarHBondContact OH-CD1 3.1Å; Y484-L618 WeakPolarHBondContact OH-CD2 3.35Å; Y484-L618 VanDerWaalsContact OH-CG 3.25Å; Y484-L618 WeakPolarHBondContact OH-CG 3.33Å
485	G	72.9	Confident	84.3	Confident	10 Å²	10	63.3 Å²	63.3	10%	0.103	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	157.6	-163.5	-179.3	0	0	0	0	0	114.5	G482 R503	G482-G485 PolarHBondContact N-O 3.49Å; G482-G485 PolarHBondContact O-N 3.37Å; G482-G485 VanDerWaalsContact O-O 3.08Å; G485-R503 WeakPolarHBondContact CA-O 3.38Å
486	V	84.3	Confident	84.3	Confident	6 Å²	6	65.1 Å²	65.1	4%	0.036	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	129	178.3	-176.6	0	0	0	0	108.5	R478 E480 Y488 R503	R478-V486 HydrophobicContact CG-CG1 4.04Å; R478-V486 VanDerWaalsContact NH2-CG2 3.35Å; E480-V486 WeakPolarHBondContact O-CG1 3.4Å; V486-Y488 HydrophobicContact CB-CE2 3.85Å; V486-Y488 HydrophobicContact CG1-CD2 4.16Å; V486-Y488 HydrophobicContact CG1-CE1 4.19Å; V486-Y488 HydrophobicContact CG1-CE2 3.47Å; V486-Y488 VanDerWaalsContact CG1-CE2 3.47Å; V486-Y488 VanDerWaalsContact CG1-CZ 3.5Å; V486-R503 PolarHBondContact O-N 3.33Å
487	V	89.2	Confident	84.5	Confident	21 Å²	21	66.1 Å²	66.1	13%	0.127	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	129.1	-178.9	-167.7	0	0	0	0	109.9	I479 E480 A500 L501 K502	I479-V487 HydrophobicContact CB-CG1 4.5Å; I479-V487 HydrophobicContact CD1-CG1 4.22Å; I479-V487 PolarHBondContact N-O 3.45Å; E480-V487 HydrophobicContact CB-CB 4.2Å; E480-V487 HydrophobicContact CB-CG2 4.31Å; E480-V487 PolarHBondContact N-O 2.96Å; E480-V487 PolarHBondContact O-N 2.78Å; V487-A500 HydrophobicContact CG1-CB 4.23Å; V487-L501 WeakPolarHBondContact CA-O 3.18Å; V487-K502 HydrophobicContact CG2-CB 4.33Å; V487-K502 HydrophobicContact CG2-CG 4.27Å
488	Y	91.4	Very high	84.7	Confident	50 Å²	50	66.2 Å²	66.2	20%	0.196	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	139.3	177.7	-57.8	-95.6	0	0	0	110.5	N477 R478 V486 A500 L501 R503 Y548	N477-Y488 CarbonylContact O-C 3.58Å; N477-Y488 WeakPolarHBondContact O-CA 3.38Å; R478-Y488 HydrophobicContact CB-CD1 4.44Å; R478-Y488 HydrophobicContact CG-CD1 4.44Å; R478-Y488 HydrophobicContact CG-CE1 4.36Å; V486-Y488 HydrophobicContact CB-CE2 3.85Å; V486-Y488 HydrophobicContact CG1-CD2 4.16Å; V486-Y488 HydrophobicContact CG1-CE1 4.19Å; V486-Y488 HydrophobicContact CG1-CE2 3.47Å; V486-Y488 VanDerWaalsContact CG1-CE2 3.47Å; V486-Y488 VanDerWaalsContact CG1-CZ 3.5Å; Y488-A500 WeakPolarHBondContact O-CA 3.36Å; Y488-L501 PolarHBondContact N-O 2.89Å; Y488-L501 PolarHBondContact O-N 3.19Å; Y488-R503 HydrophobicContact CE2-CB 4.41Å; Y488-Y548 HydrophobicContact CD2-CE1 4.29Å; Y488-Y548 HydrophobicContact CE2-CE1 4.22Å
489	R	93.6	Very high	85	Confident	34 Å²	34	60.7 Å²	60.7	13%	0.128	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	126.1	161.5	-168.3	171.7	174.6	-90.4	1.2	107	L476 N477 I479 I498 Y553 E778	L476-R489 WeakPolarHBondContact CB-O 3.41Å; L476-R489 PolarHBondContact N-O 3.38Å; N477-R489 PolarHBondContact N-O 3.02Å; N477-R489 PolarHBondContact O-N 2.94Å; I479-R489 HydrophobicContact CD1-CB 3.85Å; I479-R489 HydrophobicContact CG1-CB 3.89Å; R489-I498 HydrophobicContact CG-CG2 3.72Å; R489-Y553 HydrophobicContact CB-CE2 4.47Å; R489-Y553 HydrophobicContact CG-CD2 4.16Å; R489-Y553 HydrophobicContact CG-CE2 3.91Å; R489-E778 IonicContact CZ-OE1 4Å; R489-E778 VanDerWaalsContact CZ-OE1 3.26Å; R489-E778 IonicContact NE-OE1 3Å; R489-E778 PolarHBondContact NE-OE1 3.07Å; R489-E778 VanDerWaalsContact NH2-CD 3.29Å; R489-E778 IonicContact NH2-OE1 3.78Å; R489-E778 PolarHBondContact NH2-OE1 3.25Å
490	A	95.1	Very high	85.5	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	164.2	178.9	0	0	0	0	0	111	F473 Q474 I498 V499 L501	F473-A490 HydrophobicContact CB-CB 4.41Å; Q474-A490 CarbonylContact O-C 3.5Å; Q474-A490 WeakPolarHBondContact O-CA 3.45Å; Q474-A490 WeakPolarHBondContact O-CB 3.19Å; A490-I498 CarbonylContact O-C 3.14Å; A490-I498 WeakPolarHBondContact O-CA 3.33Å; A490-V499 HydrophobicContact CB-CG2 4.15Å; A490-V499 PolarHBondContact N-O 3.47Å; A490-V499 PolarHBondContact O-N 2.88Å; A490-L501 HydrophobicContact CB-CD1 3.51Å; A490-L501 HydrophobicContact CB-CG 3.78Å
491	K	96.1	Very high	86.3	Confident	54 Å²	54	53.1 Å²	53.1	24%	0.235	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	129	171	-156.2	-178.2	-159.3	-158.3	0	109.1	F473 Q474 L476 K493 D496 E497 I498	F473-K491 CarbonylContact C-O 3.56Å; F473-K491 WeakPolarHBondContact CA-O 3.1Å; Q474-K491 HydrophobicContact CB-CB 4.27Å; Q474-K491 PolarHBondContact N-O 3.46Å; Q474-K491 PolarHBondContact O-N 3.25Å; L476-K491 HydrophobicContact CD1-CB 4.33Å; K491-K493 PolarHBondContact O-N 3.5Å; K491-D496 WeakPolarHBondContact CE-O 3.3Å; K491-D496 WeakPolarHBondContact CE-OD1 3.06Å; K491-D496 VanDerWaalsContact CE-OD2 3.23Å; K491-D496 WeakPolarHBondContact CE-OD2 3.23Å; K491-D496 WeakPolarHBondContact CG-O 3.4Å; K491-D496 IonicContact NZ-OD1 3.16Å; K491-D496 PolarHBondContact NZ-OD1 3.42Å; K491-D496 IonicContact NZ-OD2 2.67Å; K491-D496 PolarHBondContact NZ-OD2 3.36Å; K491-E497 CarbonylContact C-O 3.59Å; K491-E497 WeakPolarHBondContact CA-O 3.24Å; K491-I498 HydrophobicContact CB-CD1 4.3Å; K491-I498 HydrophobicContact CG-CD1 4.07Å
492	D	96	Very high	87.1	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.021	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	122.3	170.3	-174.5	-26.6	0	0	0	108.9	R468 F473 K494 T495 D496 E497	R468-D492 IonicContact CZ-OD1 2.74Å; R468-D492 IonicContact CZ-OD2 2.88Å; R468-D492 IonicContact NH1-OD1 3.59Å; R468-D492 IonicContact NH1-OD2 3.56Å; R468-D492 PolarHBondContact NH1-OD2 2.95Å; R468-D492 VanDerWaalsContact NH2-CG 3.3Å; R468-D492 IonicContact NH2-OD1 2.74Å; R468-D492 PolarHBondContact NH2-OD1 2.92Å; R468-D492 IonicContact NH2-OD2 3.38Å; R468-D492 PolarHBondContact NH2-OD2 2.75Å; R468-D492 VanDerWaalsContact NH2-OD2 3.12Å; F473-D492 HydrophobicContact CD1-CB 3.94Å; F473-D492 HydrophobicContact CE1-CB 3.74Å; D492-K494 PolarHBondContact O-N 3.2Å; D492-K494 WeakPolarHBondContact OD1-CB 3.39Å; D492-K494 PolarHBondContact OD1-N 2.84Å; D492-T495 WeakPolarHBondContact CB-OG1 3.4Å; D492-D496 VanDerWaalsContact O-CA 3.25Å; D492-D496 WeakPolarHBondContact O-CA 3.33Å; D492-D496 PolarHBondContact O-N 3.13Å; D492-E497 PolarHBondContact N-O 3.36Å
493	K	94.8	Very high	88.2	Confident	131 Å²	131	49.7 Å²	49.7	57%	0.57	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-12.6	-177	-62.6	171	-175	174	0	113.5	E471 E472 Q474 K491	E471-K493 WeakPolarHBondContact O-CE 3.48Å; E471-K493 PolarHBondContact O-NZ 2.99Å; E472-K493 WeakPolarHBondContact O-CB 3.41Å; E472-K493 WeakPolarHBondContact O-CD 3.49Å; E472-K493 WeakPolarHBondContact O-CG 3.49Å; E472-K493 PolarHBondContact O-N 3.31Å; Q474-K493 HydrophobicContact CB-CG 4.47Å; K491-K493 PolarHBondContact O-N 3.5Å
494	K	93.6	Very high	89.3	Confident	141 Å²	141	44.8 Å²	44.8	61%	0.613	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-35.8	177.7	-73	-177.7	175.5	155.5	0	113	E472 D492	E472-K494 IonicContact OE1-NZ 2.81Å; E472-K494 PolarHBondContact OE1-NZ 3.02Å; E472-K494 WeakPolarHBondContact OE2-CD 3.41Å; E472-K494 WeakPolarHBondContact OE2-CE 3.27Å; E472-K494 IonicContact OE2-NZ 2.7Å; E472-K494 PolarHBondContact OE2-NZ 3.38Å; D492-K494 PolarHBondContact O-N 3.2Å; D492-K494 WeakPolarHBondContact OD1-CB 3.39Å; D492-K494 PolarHBondContact OD1-N 2.84Å
495	T	94.1	Very high	89.8	Confident	75 Å²	75	47 Å²	47	46%	0.46	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-9.2	-175.9	59.6	0	0	0	0	113.9	D492 E497	D492-T495 WeakPolarHBondContact CB-OG1 3.4Å; T495-E497 PolarHBondContact O-N 3.4Å; T495-E497 VanDerWaalsContact O-N 3.14Å
496	D	93.7	Very high	89.5	Confident	104 Å²	104	47.9 Å²	47.9	56%	0.556	22%	0.223	S	C	*	.			trans	63.7	4.6	-173.2	-142.4	53.6	0	0	0	114.4	K491 D492	K491-D496 WeakPolarHBondContact CE-O 3.3Å; K491-D496 WeakPolarHBondContact CE-OD1 3.06Å; K491-D496 VanDerWaalsContact CE-OD2 3.23Å; K491-D496 WeakPolarHBondContact CE-OD2 3.23Å; K491-D496 WeakPolarHBondContact CG-O 3.4Å; K491-D496 IonicContact NZ-OD1 3.16Å; K491-D496 PolarHBondContact NZ-OD1 3.42Å; K491-D496 IonicContact NZ-OD2 2.67Å; K491-D496 PolarHBondContact NZ-OD2 3.36Å; D492-D496 VanDerWaalsContact O-CA 3.25Å; D492-D496 WeakPolarHBondContact O-CA 3.33Å; D492-D496 PolarHBondContact O-N 3.13Å
497	E	94.5	Very high	88.4	Confident	91 Å²	91	52.8 Å²	52.8	43%	0.425	25%	0.246	S	C	.	.			trans	-76.2	150.8	-178.2	-67.6	-171.4	178.3	0	0	113.5	K491 D492 T495 R536	K491-E497 CarbonylContact C-O 3.59Å; K491-E497 WeakPolarHBondContact CA-O 3.24Å; D492-E497 PolarHBondContact N-O 3.36Å; T495-E497 PolarHBondContact O-N 3.4Å; T495-E497 VanDerWaalsContact O-N 3.14Å; E497-R536 IonicContact OE2-CZ 2.8Å; E497-R536 IonicContact OE2-NH1 3.12Å; E497-R536 PolarHBondContact OE2-NH1 3.33Å; E497-R536 IonicContact OE2-NH2 2.8Å; E497-R536 PolarHBondContact OE2-NH2 3.05Å
498	I	94.4	Very high	86.8	Confident	50 Å²	50	59.7 Å²	59.7	26%	0.256	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	127.8	173.3	-54.8	-65.1	0	0	0	110.1	L476 R489 A490 K491 Y553	L476-I498 HydrophobicContact CD1-CD1 3.79Å; R489-I498 HydrophobicContact CG-CG2 3.72Å; A490-I498 CarbonylContact O-C 3.14Å; A490-I498 WeakPolarHBondContact O-CA 3.33Å; K491-I498 HydrophobicContact CB-CD1 4.3Å; K491-I498 HydrophobicContact CG-CD1 4.07Å; I498-Y553 HydrophobicContact CB-CD1 4.32Å; I498-Y553 HydrophobicContact CG2-CD1 3.55Å; I498-Y553 HydrophobicContact CG2-CD2 4.36Å; I498-Y553 HydrophobicContact CG2-CE1 4.11Å; I498-Y553 HydrophobicContact CG2-CG 3.69Å; I498-Y553 WeakPolarHBondContact O-CB 3.23Å
499	V	94.6	Very high	85.1	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	158.6	-179	-62.9	0	0	0	0	111.6	F473 A490 L501 V550	F473-V499 HydrophobicContact CD1-CG2 3.76Å; F473-V499 HydrophobicContact CE1-CG2 4.01Å; A490-V499 HydrophobicContact CB-CG2 4.15Å; A490-V499 PolarHBondContact N-O 3.47Å; A490-V499 PolarHBondContact O-N 2.88Å; V499-L501 HydrophobicContact CG2-CD2 4.19Å; V499-L501 HydrophobicContact CG2-CG 4.46Å; V499-V550 HydrophobicContact CB-CG1 3.95Å; V499-V550 HydrophobicContact CG1-CG1 4.12Å; V499-V550 HydrophobicContact CG2-CG1 4.06Å
500	A	93.5	Very high	83.3	Confident	9 Å²	9	70.1 Å²	70.1	7%	0.074	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	123.5	169.6	0	0	0	0	0	109.9	V487 Y488 M551	V487-A500 HydrophobicContact CG1-CB 4.23Å; Y488-A500 WeakPolarHBondContact O-CA 3.36Å; A500-M551 HydrophobicContact CB-CB 4.34Å; A500-M551 HydrophobicContact CB-CE 4.17Å; A500-M551 PolarHBondContact N-O 3.02Å; A500-M551 PolarHBondContact O-N 2.93Å
501	L	91.6	Very high	81.5	Confident	0 Å²	0	78.7 Å²	78.7	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	104.2	175.7	-60.4	-178.8	0	0	0	109.7	V470 F473 V487 Y488 A490 V499 R503 Y548 V550	V470-L501 HydrophobicContact CG2-CD1 4.37Å; F473-L501 HydrophobicContact CB-CD1 3.96Å; F473-L501 HydrophobicContact CD1-CD2 4.26Å; F473-L501 HydrophobicContact CG-CD1 4.41Å; F473-L501 HydrophobicContact CG-CD2 4.44Å; V487-L501 WeakPolarHBondContact CA-O 3.18Å; Y488-L501 PolarHBondContact N-O 2.89Å; Y488-L501 PolarHBondContact O-N 3.19Å; A490-L501 HydrophobicContact CB-CD1 3.51Å; A490-L501 HydrophobicContact CB-CG 3.78Å; V499-L501 HydrophobicContact CG2-CD2 4.19Å; V499-L501 HydrophobicContact CG2-CG 4.46Å; L501-R503 PolarHBondContact O-N 3.11Å; L501-Y548 HydrophobicContact CB-CD1 3.99Å; L501-V550 HydrophobicContact CD2-CB 4.2Å; L501-V550 HydrophobicContact CD2-CG1 4.08Å; L501-V550 HydrophobicContact CD2-CG2 3.69Å
502	K	88.1	Confident	80.1	Confident	9 Å²	9	78.2 Å²	78.2	4%	0.039	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	105.1	171.2	-178.3	175.6	-178.9	-176.2	0	108.5	V487 L504 E520 Y548 I549 M551 D615	V487-K502 HydrophobicContact CG2-CB 4.33Å; V487-K502 HydrophobicContact CG2-CG 4.27Å; K502-L504 PolarHBondContact O-N 2.97Å; K502-E520 IonicContact NZ-OE1 3.37Å; K502-E520 PolarHBondContact NZ-OE1 2.83Å; K502-E520 IonicContact NZ-OE2 3.68Å; K502-Y548 WeakPolarHBondContact O-CA 3.31Å; K502-I549 PolarHBondContact N-O 3.01Å; K502-I549 PolarHBondContact O-N 3.2Å; K502-M551 HydrophobicContact CB-CE 3.66Å; K502-D615 IonicContact NZ-OD1 2.84Å; K502-D615 PolarHBondContact NZ-OD1 2.76Å
503	R	86.6	Confident	78.7	Confident	91 Å²	91	80.4 Å²	80.4	34%	0.343	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	118.6	174.9	-169	179.9	63.5	-178.6	-1.1	109.4	G485 V486 Y488 L501 K505 Y548	G485-R503 WeakPolarHBondContact CA-O 3.38Å; V486-R503 PolarHBondContact O-N 3.33Å; Y488-R503 HydrophobicContact CE2-CB 4.41Å; L501-R503 PolarHBondContact O-N 3.11Å; R503-K505 PolarHBondContact O-N 3.16Å; R503-Y548 HydrophobicContact CB-CD1 3.56Å; R503-Y548 HydrophobicContact CB-CE1 3.47Å; R503-Y548 VanDerWaalsContact CB-CE1 3.47Å; R503-Y548 HydrophobicContact CB-CG 4.33Å; R503-Y548 HydrophobicContact CG-CD1 3.95Å; R503-Y548 HydrophobicContact CG-CE1 3.64Å; R503-Y548 HydrophobicContact CG-CE2 4.18Å; R503-Y548 HydrophobicContact CG-CG 4.38Å
504	L	77.7	Confident	77.2	Confident	2 Å²	2	74.2 Å²	74.2	1%	0.01	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	130	172.7	-72.4	178.4	0	0	0	109.8	K502 M506 F513 I521 I547 I549	K502-L504 PolarHBondContact O-N 2.97Å; L504-M506 PolarHBondContact O-N 2.77Å; L504-F513 HydrophobicContact CD1-CE1 4.46Å; L504-F513 HydrophobicContact CD1-CE2 4.38Å; L504-F513 HydrophobicContact CD1-CZ 3.7Å; L504-I521 HydrophobicContact CD1-CD1 4.18Å; L504-I547 HydrophobicContact CD1-CG2 4.01Å; L504-I547 PolarHBondContact N-O 2.74Å; L504-I549 HydrophobicContact CD1-CD1 4.36Å; L504-I549 HydrophobicContact CD1-CG1 4.15Å; L504-I549 HydrophobicContact CD2-CD1 3.81Å; L504-I549 HydrophobicContact CD2-CG1 4.2Å; L504-I549 HydrophobicContact CG-CD1 4.24Å; L504-I549 HydrophobicContact CG-CG1 4.08Å
505	K	70.5	Confident	76	Confident	105 Å²	105	71.9 Å²	71.9	46%	0.457	35%	0.349	S	S	.	.			trans	-85.5	95.1	177	-175.6	-165.9	175.9	-154.1	0	108.6	R503 E507	R503-K505 PolarHBondContact O-N 3.16Å; K505-E507 WeakPolarHBondContact CE-OE1 3.34Å; K505-E507 IonicContact NZ-OE1 2.71Å; K505-E507 PolarHBondContact NZ-OE1 2.73Å; K505-E507 PolarHBondContact O-N 3.04Å
506	M	66	Low	74.7	Confident	28 Å²	28	72.7 Å²	72.7	14%	0.138	35%	0.354	C	S	.	.			trans	-62.2	102.7	167.2	-52.4	-54.6	-99.8	0	0	108.2	L504 F513 P514 M544 I547	L504-M506 PolarHBondContact O-N 2.77Å; M506-F513 HydrophobicContact CE-CB 4.24Å; M506-F513 HydrophobicContact CE-CD2 3.85Å; M506-F513 HydrophobicContact CE-CG 4.13Å; M506-P514 VanDerWaalsContact SD-CD 3.5Å; M506-P514 HydrophobicContact SD-CG 4.13Å; M506-M544 WeakPolarHBondContact CG-O 3.46Å; M506-I547 HydrophobicContact CE-CD1 3.93Å; M506-I547 HydrophobicContact SD-CD1 4.48Å
507	E	61.8	Low	73.6	Confident	109 Å²	109	68.1 Å²	68.1	51%	0.509	33%	0.331	S	S	.	.			trans	-67.6	156.2	165.3	-58.9	-123.3	132.9	0	0	108.1	K505 E509	K505-E507 WeakPolarHBondContact CE-OE1 3.34Å; K505-E507 IonicContact NZ-OE1 2.71Å; K505-E507 PolarHBondContact NZ-OE1 2.73Å; K505-E507 PolarHBondContact O-N 3.04Å; E507-E509 HydrophobicContact CB-CG 4.34Å; E507-E509 PolarHBondContact O-N 3.22Å
508	K	56.3	Low	72.4	Confident	166 Å²	166	68.2 Å²	68.2	72%	0.722	33%	0.333	S	S	*	.			trans	-80.8	51.9	-178	-52.5	-147.2	-175.9	-138.3	0	111.3	E309	E309-K508 IonicContact OE2-NZ 3.62Å; E309-K508 PolarHBondContact OE2-NZ 2.83Å
509	E	54.3	Low	71.2	Confident	94 Å²	94	73.7 Å²	73.7	44%	0.439	35%	0.351	S	S	.	.			trans	-62.7	145.9	167.2	-64.6	-167.9	144.8	0	0	109.3	E507 E511 P514	E507-E509 HydrophobicContact CB-CG 4.34Å; E507-E509 PolarHBondContact O-N 3.22Å; E509-E511 VanDerWaalsContact C-N 3.26Å; E509-E511 PolarHBondContact O-N 2.9Å; E509-P514 WeakPolarHBondContact OE2-CA 3.19Å
510	K	55.4	Low	70	Confident	210 Å²	210	74.3 Å²	74.3	91%	0.913	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-3.9	-176.6	-63.2	179.1	-177.8	174.6	0	113.3
511	E	57.9	Low	69.1	Low	179 Å²	179	74.6 Å²	74.6	84%	0.836	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.2	6.5	-164.5	-62.1	177.8	-177.3	0	0	112.3	E509	E509-E511 VanDerWaalsContact C-N 3.26Å; E509-E511 PolarHBondContact O-N 2.9Å
512	G	66.8	Low	68.3	Low	44 Å²	44	78.4 Å²	78.4	45%	0.454	37%	0.374	S	S	.	.	S	Bend	trans	105.3	-120.6	170.1	0	0	0	0	0	113.9
513	F	65.9	Low	67.7	Low	51 Å²	51	78.2 Å²	78.2	22%	0.224	37%	0.374	C	S	.	.	S	Bend	trans	-79.1	132.2	-175.6	-170.7	-69.7	0	0	0	110.6	L504 M506 I515 L518 I521 I547	L504-F513 HydrophobicContact CD1-CE1 4.46Å; L504-F513 HydrophobicContact CD1-CE2 4.38Å; L504-F513 HydrophobicContact CD1-CZ 3.7Å; M506-F513 HydrophobicContact CE-CB 4.24Å; M506-F513 HydrophobicContact CE-CD2 3.85Å; M506-F513 HydrophobicContact CE-CG 4.13Å; F513-I515 PolarHBondContact O-N 2.81Å; F513-L518 HydrophobicContact CD1-CD1 4.27Å; F513-L518 HydrophobicContact CD1-CD2 3.73Å; F513-L518 HydrophobicContact CD1-CG 3.58Å; F513-L518 HydrophobicContact CE1-CD2 3.51Å; F513-L518 HydrophobicContact CE1-CG 3.63Å; F513-L518 HydrophobicContact CZ-CD2 4.15Å; F513-I521 HydrophobicContact CE1-CD1 4.26Å; F513-I521 HydrophobicContact CZ-CD1 3.86Å; F513-I547 HydrophobicContact CD2-CD1 3.71Å; F513-I547 HydrophobicContact CE2-CD1 3.55Å; F513-I547 HydrophobicContact CE2-CG2 4.21Å
514	P	65.1	Low	67.1	Low	1 Å²	1	74.1 Å²	74.1	1%	0.006	36%	0.358	C	S	.	.			trans	-60.3	125.1	-175.3	-25	33.8	0	0	0	114.1	M506 E509 T516 S517 L518	M506-P514 VanDerWaalsContact SD-CD 3.5Å; M506-P514 HydrophobicContact SD-CG 4.13Å; E509-P514 WeakPolarHBondContact OE2-CA 3.19Å; P514-T516 WeakPolarHBondContact CB-OG1 3.27Å; P514-T516 PolarHBondContact O-N 2.75Å; P514-S517 PolarHBondContact O-N 3.48Å; P514-L518 PolarHBondContact O-N 2.75Å; P514-L518 VanDerWaalsContact O-N 3.09Å
515	I	68.6	Low	67.2	Low	91 Å²	91	78.1 Å²	78.1	47%	0.467	38%	0.38	S	S	.	.	H	α-helix	trans	-60.8	-28.9	176.8	-60.5	174.1	0	0	0	110.9	F513 R519	F513-I515 PolarHBondContact O-N 2.81Å; I515-R519 VanDerWaalsContact O-CG 3.31Å; I515-R519 WeakPolarHBondContact O-CG 3.35Å; I515-R519 PolarHBondContact O-N 3.37Å; I515-R519 VanDerWaalsContact O-N 3.14Å
516	T	66.6	Low	67.6	Low	92 Å²	92	77.7 Å²	77.7	56%	0.564	38%	0.378	S	S	*	.	H	α-helix	trans	-61.1	-46.6	170.7	44.6	0	0	0	0	112.2	P514 R519 E520	P514-T516 WeakPolarHBondContact CB-OG1 3.27Å; P514-T516 PolarHBondContact O-N 2.75Å; T516-R519 WeakPolarHBondContact O-CB 3.44Å; T516-R519 PolarHBondContact O-N 2.6Å; T516-E520 PolarHBondContact O-N 3.12Å
517	S	68.8	Low	68.4	Low	9 Å²	9	76.4 Å²	76.4	6%	0.063	37%	0.371	C	S	.	.	H	α-helix	trans	-69.4	-36.1	179	-60.5	0	0	0	0	112.6	P514 R519 E520 I521	P514-S517 PolarHBondContact O-N 3.48Å; S517-R519 VanDerWaalsContact C-N 3.29Å; S517-R519 PolarHBondContact O-N 2.94Å; S517-E520 PolarHBondContact O-N 2.65Å; S517-I521 WeakPolarHBondContact O-CB 3.3Å; S517-I521 WeakPolarHBondContact O-CD1 3.34Å; S517-I521 VanDerWaalsContact O-CG1 3.3Å; S517-I521 WeakPolarHBondContact O-CG1 3.31Å; S517-I521 PolarHBondContact O-N 2.85Å
518	L	70.6	Confident	69.7	Low	92 Å²	92	75 Å²	75	48%	0.482	37%	0.365	S	S	.	.	H	α-helix	trans	-62.6	-37.4	172.1	-69.4	177	0	0	0	112	F513 P514 N522	F513-L518 HydrophobicContact CD1-CD1 4.27Å; F513-L518 HydrophobicContact CD1-CD2 3.73Å; F513-L518 HydrophobicContact CD1-CG 3.58Å; F513-L518 HydrophobicContact CE1-CD2 3.51Å; F513-L518 HydrophobicContact CE1-CG 3.63Å; F513-L518 HydrophobicContact CZ-CD2 4.15Å; P514-L518 PolarHBondContact O-N 2.75Å; P514-L518 VanDerWaalsContact O-N 3.09Å; L518-N522 WeakPolarHBondContact O-CB 3.47Å; L518-N522 PolarHBondContact O-N 3.36Å
519	R	69.1	Low	71.5	Confident	165 Å²	165	68.9 Å²	68.9	62%	0.623	34%	0.339	S	S	*	.	H	α-helix	trans	-67.9	-43.7	174.5	-72.7	169.2	-179	155.6	2.6	111.9	I515 T516 S517 I521 N522 T523	I515-R519 VanDerWaalsContact O-CG 3.31Å; I515-R519 WeakPolarHBondContact O-CG 3.35Å; I515-R519 PolarHBondContact O-N 3.37Å; I515-R519 VanDerWaalsContact O-N 3.14Å; T516-R519 WeakPolarHBondContact O-CB 3.44Å; T516-R519 PolarHBondContact O-N 2.6Å; S517-R519 VanDerWaalsContact C-N 3.29Å; S517-R519 PolarHBondContact O-N 2.94Å; R519-I521 PolarHBondContact O-N 3.33Å; R519-N522 PolarHBondContact O-N 3.26Å; R519-T523 VanDerWaalsContact O-CB 3.27Å; R519-T523 WeakPolarHBondContact O-CB 3.47Å; R519-T523 PolarHBondContact O-N 2.7Å; R519-T523 PolarHBondContact O-OG1 3.18Å
520	E	69.8	Low	73.5	Confident	14 Å²	14	68.7 Å²	68.7	7%	0.065	35%	0.345	C	S	.	.	H	α-helix	trans	-57.3	-49.3	174.7	-177.4	176.5	179.6	0	0	110.8	K502 T516 S517 N522 T523 I524 F616	K502-E520 IonicContact NZ-OE1 3.37Å; K502-E520 PolarHBondContact NZ-OE1 2.83Å; K502-E520 IonicContact NZ-OE2 3.68Å; T516-E520 PolarHBondContact O-N 3.12Å; S517-E520 PolarHBondContact O-N 2.65Å; E520-N522 PolarHBondContact O-N 2.69Å; E520-T523 PolarHBondContact O-N 3.04Å; E520-I524 HydrophobicContact CG-CD1 3.74Å; E520-I524 HydrophobicContact CG-CG1 4.49Å; E520-I524 VanDerWaalsContact O-CG1 3.29Å; E520-I524 WeakPolarHBondContact O-CG1 3.48Å; E520-I524 PolarHBondContact O-N 3.27Å; E520-F616 HydrophobicContact CG-CB 4.43Å
521	I	73.9	Confident	75.4	Confident	15 Å²	15	59.1 Å²	59.1	8%	0.077	30%	0.304	C	S	.	.	H	α-helix	trans	-53.6	-56	174.6	-74.1	159.8	0	0	0	111.4	L504 F513 S517 R519 T523 I524 L525 I538 I549	L504-I521 HydrophobicContact CD1-CD1 4.18Å; F513-I521 HydrophobicContact CE1-CD1 4.26Å; F513-I521 HydrophobicContact CZ-CD1 3.86Å; S517-I521 WeakPolarHBondContact O-CB 3.3Å; S517-I521 WeakPolarHBondContact O-CD1 3.34Å; S517-I521 VanDerWaalsContact O-CG1 3.3Å; S517-I521 WeakPolarHBondContact O-CG1 3.31Å; S517-I521 PolarHBondContact O-N 2.85Å; R519-I521 PolarHBondContact O-N 3.33Å; I521-T523 VanDerWaalsContact C-N 3.3Å; I521-T523 PolarHBondContact O-N 3.02Å; I521-I524 PolarHBondContact O-N 3.42Å; I521-L525 HydrophobicContact CG2-CD1 3.73Å; I521-L525 HydrophobicContact CG2-CG 4.48Å; I521-L525 WeakPolarHBondContact O-CB 3.44Å; I521-L525 VanDerWaalsContact O-CG 3.27Å; I521-L525 WeakPolarHBondContact O-CG 3.25Å; I521-L525 PolarHBondContact O-N 3.33Å; I521-I538 HydrophobicContact CB-CD1 4.49Å; I521-I538 HydrophobicContact CD1-CD1 3.58Å; I521-I538 HydrophobicContact CD1-CG1 4.32Å; I521-I538 HydrophobicContact CG1-CD1 3.92Å; I521-I538 HydrophobicContact CG1-CG1 4.46Å; I521-I538 HydrophobicContact CG2-CD1 3.75Å; I521-I549 HydrophobicContact CG1-CD1 3.84Å; I521-I549 HydrophobicContact CG1-CG1 4.36Å
522	N	75.6	Confident	77.1	Confident	80 Å²	80	50.6 Å²	50.6	43%	0.428	27%	0.265	S	S	.	.	H	α-helix	trans	-62.8	-38	-176.9	-167.6	25.4	0	0	0	112	L518 R519 E520 K526	L518-N522 WeakPolarHBondContact O-CB 3.47Å; L518-N522 PolarHBondContact O-N 3.36Å; R519-N522 PolarHBondContact O-N 3.26Å; E520-N522 PolarHBondContact O-N 2.69Å; N522-K526 WeakPolarHBondContact O-CG 3.45Å; N522-K526 PolarHBondContact O-N 3.23Å
523	T	74.2	Confident	78.3	Confident	5 Å²	5	49 Å²	49	3%	0.031	25%	0.246	C	C	.	.	H	α-helix	trans	-65.4	-47	178.9	-54.3	0	0	0	0	111.2	R519 E520 I521 K526 A527 I593 A619	R519-T523 VanDerWaalsContact O-CB 3.27Å; R519-T523 WeakPolarHBondContact O-CB 3.47Å; R519-T523 PolarHBondContact O-N 2.7Å; R519-T523 PolarHBondContact O-OG1 3.18Å; E520-T523 PolarHBondContact O-N 3.04Å; I521-T523 VanDerWaalsContact C-N 3.3Å; I521-T523 PolarHBondContact O-N 3.02Å; T523-K526 PolarHBondContact O-N 3.48Å; T523-A527 WeakPolarHBondContact O-CB 3.49Å; T523-A527 PolarHBondContact O-N 3.08Å; T523-A527 VanDerWaalsContact O-N 3.11Å; T523-I593 HydrophobicContact CG2-CB 4.42Å; T523-I593 HydrophobicContact CG2-CD1 3.78Å; T523-I593 HydrophobicContact CG2-CG1 3.96Å; T523-I593 HydrophobicContact CG2-CG2 3.55Å; T523-A619 HydrophobicContact CG2-CB 4.02Å
524	I	74.9	Confident	79.4	Confident	4 Å²	4	48.1 Å²	48.1	2%	0.021	25%	0.245	C	C	.	.	H	α-helix	trans	-71.9	-34.3	-179.5	-52.9	160.5	0	0	0	111.5	E520 I521 K526 A527 V535 F616	E520-I524 HydrophobicContact CG-CD1 3.74Å; E520-I524 HydrophobicContact CG-CG1 4.49Å; E520-I524 VanDerWaalsContact O-CG1 3.29Å; E520-I524 WeakPolarHBondContact O-CG1 3.48Å; E520-I524 PolarHBondContact O-N 3.27Å; I521-I524 PolarHBondContact O-N 3.42Å; I524-K526 PolarHBondContact O-N 3.45Å; I524-A527 PolarHBondContact O-N 3.46Å; I524-V535 HydrophobicContact CB-CG2 3.99Å; I524-V535 HydrophobicContact CD1-CG2 4.01Å; I524-V535 HydrophobicContact CG2-CB 4.14Å; I524-V535 HydrophobicContact CG2-CG2 3.5Å; I524-V535 VanDerWaalsContact CG2-CG2 3.5Å; I524-F616 HydrophobicContact CD1-CB 4Å; I524-F616 HydrophobicContact CD1-CD2 4.22Å; I524-F616 HydrophobicContact CD1-CG 4.43Å; I524-F616 HydrophobicContact CG1-CB 3.63Å; I524-F616 HydrophobicContact CG1-CD2 3.71Å; I524-F616 HydrophobicContact CG1-CG 3.75Å
525	L	79.3	Confident	80.4	Confident	87 Å²	87	48.4 Å²	48.4	46%	0.455	25%	0.247	S	C	.	.	H	α-helix	trans	-64.4	-29	176	-73.4	174	0	0	0	112.9	I521 Q528 V535	I521-L525 HydrophobicContact CG2-CD1 3.73Å; I521-L525 HydrophobicContact CG2-CG 4.48Å; I521-L525 WeakPolarHBondContact O-CB 3.44Å; I521-L525 VanDerWaalsContact O-CG 3.27Å; I521-L525 WeakPolarHBondContact O-CG 3.25Å; I521-L525 PolarHBondContact O-N 3.33Å; L525-Q528 WeakPolarHBondContact O-CG 3.32Å; L525-V535 HydrophobicContact CD2-CG1 4.28Å
526	K	79.8	Confident	81.3	Confident	96 Å²	96	48 Å²	48	42%	0.417	24%	0.239	S	C	.	.	H	α-helix	trans	-75.7	-40	169.9	-69.1	172.7	179	-173.8	0	112.6	N522 T523 I524 Q528 I593 E621	N522-K526 WeakPolarHBondContact O-CG 3.45Å; N522-K526 PolarHBondContact O-N 3.23Å; T523-K526 PolarHBondContact O-N 3.48Å; I524-K526 PolarHBondContact O-N 3.45Å; K526-Q528 PolarHBondContact O-N 3.34Å; K526-I593 HydrophobicContact CB-CD1 4.45Å; K526-E621 IonicContact NZ-OE1 2.72Å; K526-E621 PolarHBondContact NZ-OE1 3.33Å; K526-E621 IonicContact NZ-OE2 2.75Å
527	A	83.1	Confident	82.3	Confident	0 Å²	0	46 Å²	46	0%	0	22%	0.223	C	C	.	.			trans	-79.8	45	-172.3	0	0	0	0	0	115.1	T523 I524 H529 I532 L588 I593	T523-A527 WeakPolarHBondContact O-CB 3.49Å; T523-A527 PolarHBondContact O-N 3.08Å; T523-A527 VanDerWaalsContact O-N 3.11Å; I524-A527 PolarHBondContact O-N 3.46Å; A527-H529 PolarHBondContact O-N 2.96Å; A527-I532 HydrophobicContact CB-CD1 4.1Å; A527-I532 HydrophobicContact CB-CG2 4.5Å; A527-I532 WeakPolarHBondContact O-CD1 3.31Å; A527-I532 WeakPolarHBondContact O-CG2 3.49Å; A527-L588 HydrophobicContact CB-CD2 3.61Å; A527-I593 HydrophobicContact CB-CD1 4.02Å
528	Q	87.9	Confident	83.2	Confident	80 Å²	80	47.7 Å²	47.7	37%	0.374	23%	0.231	S	C	.	.			trans	-81	102.6	-176.2	-67.8	-72.6	6.9	0	0	112	L525 K526 T534 V535	L525-Q528 WeakPolarHBondContact O-CG 3.32Å; K526-Q528 PolarHBondContact O-N 3.34Å; Q528-T534 VanDerWaalsContact OE1-CG2 3.32Å; Q528-T534 PolarHBondContact OE1-OG1 2.85Å; Q528-T534 VanDerWaalsContact OE1-OG1 3.08Å; Q528-V535 PolarHBondContact NE2-O 3.12Å
529	H	94.3	Very high	84.1	Confident	38 Å²	38	43.3 Å²	43.3	18%	0.176	21%	0.208	C	C	.	.			trans	-145.5	148.2	-176	-177.1	-105.1	0	0	0	112.4	A527 N531 I532 H587	A527-H529 PolarHBondContact O-N 2.96Å; H529-N531 PolarHBondContact ND1-N 2.84Å; H529-N531 VanDerWaalsContact ND1-N 3.13Å; H529-N531 PolarHBondContact O-N 3.16Å; H529-N531 VanDerWaalsContact O-N 3.11Å; H529-I532 HydrophobicContact CB-CB 4.2Å; H529-I532 HydrophobicContact CB-CD1 3.79Å; H529-I532 HydrophobicContact CB-CG1 3.95Å; H529-I532 PolarHBondContact O-N 2.53Å; H529-H587 HydrophobicContact CB-CB 4.28Å; H529-H587 AromaticContact CD2-CG 3.83Å; H529-H587 AromaticContact CD2-ND1 3.81Å; H529-H587 AromaticContact CG-CG 3.8Å
530	P	95.2	Very high	85.1	Confident	89 Å²	89	38 Å²	38	58%	0.578	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-33.7	177.3	-31.1	38	0	0	0	114.7	K612	P530-K612 PolarHBondContact O-NZ 3.45Å
531	N	96.7	Very high	85.9	Confident	10 Å²	10	38 Å²	38	5%	0.053	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	21.9	176.6	-57.5	115.7	0	0	0	114.9	H529 Q580 L611 K612 I613	H529-N531 PolarHBondContact ND1-N 2.84Å; H529-N531 VanDerWaalsContact ND1-N 3.13Å; H529-N531 PolarHBondContact O-N 3.16Å; H529-N531 VanDerWaalsContact O-N 3.11Å; N531-Q580 VanDerWaalsContact CB-O 3.26Å; N531-Q580 WeakPolarHBondContact CB-O 3.15Å; N531-Q580 WeakPolarHBondContact ND2-CB 3.49Å; N531-Q580 WeakPolarHBondContact ND2-CG 3.09Å; N531-Q580 PolarHBondContact ND2-OE1 3.2Å; N531-L611 WeakPolarHBondContact CA-O 3.18Å; N531-L611 PolarHBondContact ND2-O 3.36Å; N531-K612 WeakPolarHBondContact O-CA 3.39Å; N531-I613 WeakPolarHBondContact O-CG1 3.33Å; N531-I613 PolarHBondContact O-N 3.08Å
532	I	94.3	Very high	86.3	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-125.4	151.7	174.3	-62.6	178.3	0	0	0	109.8	A527 H529 T534 L588 K612 I613 F616	A527-I532 HydrophobicContact CB-CD1 4.1Å; A527-I532 HydrophobicContact CB-CG2 4.5Å; A527-I532 WeakPolarHBondContact O-CD1 3.31Å; A527-I532 WeakPolarHBondContact O-CG2 3.49Å; H529-I532 HydrophobicContact CB-CB 4.2Å; H529-I532 HydrophobicContact CB-CD1 3.79Å; H529-I532 HydrophobicContact CB-CG1 3.95Å; H529-I532 PolarHBondContact O-N 2.53Å; I532-T534 PolarHBondContact O-N 3.38Å; I532-L588 HydrophobicContact CD1-CD1 4.38Å; I532-L588 HydrophobicContact CD1-CD2 3.78Å; I532-L588 HydrophobicContact CD1-CG 3.78Å; I532-K612 WeakPolarHBondContact O-CD 3.24Å; I532-K612 PolarHBondContact O-NZ 3.08Å; I532-I613 HydrophobicContact CG1-CB 4.48Å; I532-F616 HydrophobicContact CG2-CE2 3.73Å; I532-F616 HydrophobicContact CG2-CZ 3.64Å
533	V	90.8	Very high	86.5	Confident	9 Å²	9	41.4 Å²	41.4	6%	0.055	22%	0.223	C	C	.	.			trans	-72.6	104.1	173.1	175.9	0	0	0	0	110.3	V535 M551 L604 K612 I613	V533-V535 PolarHBondContact O-N 3.21Å; V533-M551 HydrophobicContact CG1-CB 3.88Å; V533-M551 HydrophobicContact CG1-CG 4.16Å; V533-M551 HydrophobicContact CG1-SD 3.85Å; V533-L604 HydrophobicContact CG2-CD1 3.83Å; V533-K612 HydrophobicContact CG2-CB 3.95Å; V533-I613 WeakPolarHBondContact CG2-O 3.28Å; V533-I613 PolarHBondContact N-O 3.2Å
534	T	88.1	Confident	86.4	Confident	33 Å²	33	47.2 Å²	47.2	20%	0.202	25%	0.251	C	S	.	.			trans	-64.2	122.5	173.5	-64.5	0	0	0	0	111.6	Q528 I532 M551 N552	Q528-T534 VanDerWaalsContact OE1-CG2 3.32Å; Q528-T534 PolarHBondContact OE1-OG1 2.85Å; Q528-T534 VanDerWaalsContact OE1-OG1 3.08Å; I532-T534 PolarHBondContact O-N 3.38Å; T534-M551 WeakPolarHBondContact O-CA 3.34Å; T534-N552 PolarHBondContact O-N 3.49Å; T534-N552 VanDerWaalsContact O-N 3.13Å
535	V	87.4	Confident	86.4	Confident	8 Å²	8	51.6 Å²	51.6	5%	0.048	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	133.4	158.7	169.9	0	0	0	0	108.8	I524 L525 Q528 V533 I549 M551	I524-V535 HydrophobicContact CB-CG2 3.99Å; I524-V535 HydrophobicContact CD1-CG2 4.01Å; I524-V535 HydrophobicContact CG2-CB 4.14Å; I524-V535 HydrophobicContact CG2-CG2 3.5Å; I524-V535 VanDerWaalsContact CG2-CG2 3.5Å; L525-V535 HydrophobicContact CD2-CG1 4.28Å; Q528-V535 PolarHBondContact NE2-O 3.12Å; V533-V535 PolarHBondContact O-N 3.21Å; V535-I549 HydrophobicContact CB-CG2 4.23Å; V535-I549 HydrophobicContact CG1-CG2 3.73Å; V535-I549 HydrophobicContact CG2-CG2 3.48Å; V535-I549 VanDerWaalsContact CG2-CG2 3.48Å; V535-M551 HydrophobicContact CG2-CG 3.96Å
536	R	87.2	Confident	86.6	Confident	82 Å²	82	51.2 Å²	51.2	31%	0.309	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-54.1	175.4	-63.4	-179.5	173.2	-150.2	-6.9	111.2	E497 V550 N552	E497-R536 IonicContact OE2-CZ 2.8Å; E497-R536 IonicContact OE2-NH1 3.12Å; E497-R536 PolarHBondContact OE2-NH1 3.33Å; E497-R536 IonicContact OE2-NH2 2.8Å; E497-R536 PolarHBondContact OE2-NH2 3.05Å; R536-V550 HydrophobicContact CB-CB 4.47Å; R536-V550 HydrophobicContact CB-CG1 4.41Å; R536-V550 PolarHBondContact N-O 3.01Å; R536-N552 VanDerWaalsContact CZ-OD1 3.28Å; R536-N552 PolarHBondContact NE-OD1 3.37Å; R536-N552 PolarHBondContact NH2-OD1 3.49Å
537	E	86.7	Confident	86.8	Confident	49 Å²	49	47 Å²	47	23%	0.229	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	174.3	-173.5	61.5	172.5	126.8	0	0	111.2	R468 V539 V550	R468-E537 WeakPolarHBondContact CD-OE1 3.45Å; R468-E537 VanDerWaalsContact CD-OE2 3.27Å; R468-E537 WeakPolarHBondContact CD-OE2 3.36Å; R468-E537 IonicContact CZ-OE1 3.83Å; R468-E537 IonicContact NE-OE1 3.25Å; R468-E537 IonicContact NH1-OE1 2.68Å; R468-E537 PolarHBondContact NH1-OE1 3.29Å; E537-V539 HydrophobicContact CG-CG1 3.97Å; E537-V539 VanDerWaalsContact OE2-CG1 3.29Å; E537-V539 WeakPolarHBondContact OE2-CG1 3.26Å; E537-V550 HydrophobicContact CG-CB 3.79Å; E537-V550 HydrophobicContact CG-CG1 4.43Å; E537-V550 HydrophobicContact CG-CG2 3.66Å; E537-V550 PolarHBondContact O-N 2.9Å
538	I	87.7	Confident	87.1	Confident	45 Å²	45	48.3 Å²	48.3	23%	0.231	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	131	170.7	-60.4	158.9	0	0	0	107.2	C467 I521 I547 Y548	C467-I538 VanDerWaalsContact CB-O 3.31Å; C467-I538 WeakPolarHBondContact CB-O 3.13Å; I521-I538 HydrophobicContact CB-CD1 4.49Å; I521-I538 HydrophobicContact CD1-CD1 3.58Å; I521-I538 HydrophobicContact CD1-CG1 4.32Å; I521-I538 HydrophobicContact CG1-CD1 3.92Å; I521-I538 HydrophobicContact CG1-CG1 4.46Å; I521-I538 HydrophobicContact CG2-CD1 3.75Å; I538-I547 HydrophobicContact CG2-CG2 3.65Å; I538-Y548 WeakPolarHBondContact CA-O 3.02Å
539	V	90.1	Very high	87.1	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	145.6	-179.3	-58.9	0	0	0	0	111	R468 V470 F473 E537 Y548 V550	R468-V539 HydrophobicContact CB-CG1 3.99Å; R468-V539 WeakPolarHBondContact O-CA 3.45Å; R468-V539 VanDerWaalsContact O-CB 3.29Å; R468-V539 WeakPolarHBondContact O-CB 3.35Å; V470-V539 HydrophobicContact CB-CG2 4.09Å; V470-V539 HydrophobicContact CG2-CG2 4.07Å; F473-V539 HydrophobicContact CE2-CB 4.36Å; F473-V539 HydrophobicContact CE2-CG1 3.72Å; F473-V539 HydrophobicContact CE2-CG2 4.37Å; F473-V539 HydrophobicContact CZ-CG1 4.12Å; E537-V539 HydrophobicContact CG-CG1 3.97Å; E537-V539 VanDerWaalsContact OE2-CG1 3.29Å; E537-V539 WeakPolarHBondContact OE2-CG1 3.26Å; V539-Y548 PolarHBondContact N-O 2.76Å; V539-Y548 PolarHBondContact O-N 3.24Å; V539-V550 HydrophobicContact CB-CG2 4.22Å; V539-V550 HydrophobicContact CG1-CG2 3.55Å; V539-V550 HydrophobicContact CG2-CG2 3.66Å
540	V	89.3	Confident	86.9	Confident	53 Å²	53	42.8 Å²	42.8	32%	0.321	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	140.6	-173.3	-60.8	0	0	0	0	109.8	C467 R468 S469 V470 K546 I547	C467-V540 HydrophobicContact CB-CG1 4.09Å; C467-V540 HydrophobicContact CB-CG2 4.03Å; R468-V540 PolarHBondContact O-N 2.91Å; R468-V540 VanDerWaalsContact O-N 3.09Å; S469-V540 CarbonylContact C-O 3.53Å; S469-V540 VanDerWaalsContact CA-O 3.28Å; S469-V540 WeakPolarHBondContact CA-O 3.43Å; V470-V540 PolarHBondContact N-O 2.99Å; V540-K546 CarbonylContact C-O 3.57Å; V540-I547 HydrophobicContact CG1-CG1 4.21Å; V540-I547 HydrophobicContact CG1-CG2 4.38Å
541	G	87.4	Confident	86.7	Confident	15 Å²	15	39.7 Å²	39.7	16%	0.155	21%	0.209	C	C	.	.			trans	-96.4	-173.4	168.5	0	0	0	0	0	112.2	N543 K546	G541-N543 PolarHBondContact O-N 3.42Å; G541-K546 PolarHBondContact N-O 3.33Å
542	S	83.2	Confident	86.5	Confident	79 Å²	79	41.3 Å²	41.3	55%	0.552	22%	0.218	S	C	*	.	S	Bend	trans	-54.2	-6.7	178	65.7	0	0	0	0	117.2	K546	S542-K546 PolarHBondContact OG-NZ 3.15Å
543	N	79.4	Confident	86.4	Confident	87 Å²	87	42.8 Å²	42.8	47%	0.465	22%	0.223	S	C	.	.	S	Bend	trans	-145.9	151.1	-174.9	-59.6	78.5	0	0	0	109.8	G541 D545 K546	G541-N543 PolarHBondContact O-N 3.42Å; N543-D545 PolarHBondContact O-N 3.42Å; N543-D545 VanDerWaalsContact O-N 3.12Å; N543-K546 HydrophobicContact CB-CD 4.43Å; N543-K546 HydrophobicContact CB-CG 4.34Å; N543-K546 WeakPolarHBondContact O-CB 3.34Å; N543-K546 PolarHBondContact O-N 2.85Å
544	M	71.1	Confident	86.5	Confident	128 Å²	128	43 Å²	43	63%	0.631	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-21.8	176.9	-64.1	-66.3	-80	0	0	113.8	M506 K546 I547	M506-M544 WeakPolarHBondContact CG-O 3.46Å; M544-K546 PolarHBondContact O-N 3.42Å; M544-I547 WeakPolarHBondContact O-CG1 3.5Å
545	D	75	Confident	86.5	Confident	95 Å²	95	43.1 Å²	43.1	51%	0.508	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-3.1	173.9	-52.9	-82.2	0	0	0	114	N543	N543-D545 PolarHBondContact O-N 3.42Å; N543-D545 VanDerWaalsContact O-N 3.12Å
546	K	83.8	Confident	86.7	Confident	80 Å²	80	43.1 Å²	43.1	35%	0.348	22%	0.222	S	C	.	.			trans	-110.6	47.3	-177.2	-63.7	-178.1	-179	179.3	0	112	V540 G541 S542 N543 M544 Y548	V540-K546 CarbonylContact C-O 3.57Å; G541-K546 PolarHBondContact N-O 3.33Å; S542-K546 PolarHBondContact OG-NZ 3.15Å; N543-K546 HydrophobicContact CB-CD 4.43Å; N543-K546 HydrophobicContact CB-CG 4.34Å; N543-K546 WeakPolarHBondContact O-CB 3.34Å; N543-K546 PolarHBondContact O-N 2.85Å; M544-K546 PolarHBondContact O-N 3.42Å; K546-Y548 HydrophobicContact CB-CE2 4.09Å; K546-Y548 VanDerWaalsContact O-CD2 3.31Å; K546-Y548 WeakPolarHBondContact O-CD2 3.38Å; K546-Y548 WeakPolarHBondContact O-CE2 3.46Å
547	I	85.3	Confident	86.9	Confident	8 Å²	8	41.6 Å²	41.6	4%	0.041	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	133.9	176.6	-52.5	179.5	0	0	0	109.8	L504 M506 F513 I538 V540 M544	L504-I547 HydrophobicContact CD1-CG2 4.01Å; L504-I547 PolarHBondContact N-O 2.74Å; M506-I547 HydrophobicContact CE-CD1 3.93Å; M506-I547 HydrophobicContact SD-CD1 4.48Å; F513-I547 HydrophobicContact CD2-CD1 3.71Å; F513-I547 HydrophobicContact CE2-CD1 3.55Å; F513-I547 HydrophobicContact CE2-CG2 4.21Å; I538-I547 HydrophobicContact CG2-CG2 3.65Å; V540-I547 HydrophobicContact CG1-CG1 4.21Å; V540-I547 HydrophobicContact CG1-CG2 4.38Å; M544-I547 WeakPolarHBondContact O-CG1 3.5Å
548	Y	88.3	Confident	87.2	Confident	26 Å²	26	39.3 Å²	39.3	10%	0.102	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	136.3	-176.1	-58.6	-110.1	0	0	0	110.2	V470 Y488 L501 K502 R503 I538 V539 K546	V470-Y548 HydrophobicContact CB-CD2 4.13Å; V470-Y548 HydrophobicContact CB-CE2 4.3Å; V470-Y548 HydrophobicContact CG1-CE2 4.27Å; V470-Y548 HydrophobicContact CG2-CD2 3.6Å; V470-Y548 HydrophobicContact CG2-CE2 3.75Å; V470-Y548 HydrophobicContact CG2-CG 4.05Å; Y488-Y548 HydrophobicContact CD2-CE1 4.29Å; Y488-Y548 HydrophobicContact CE2-CE1 4.22Å; L501-Y548 HydrophobicContact CB-CD1 3.99Å; K502-Y548 WeakPolarHBondContact O-CA 3.31Å; R503-Y548 HydrophobicContact CB-CD1 3.56Å; R503-Y548 HydrophobicContact CB-CE1 3.47Å; R503-Y548 VanDerWaalsContact CB-CE1 3.47Å; R503-Y548 HydrophobicContact CB-CG 4.33Å; R503-Y548 HydrophobicContact CG-CD1 3.95Å; R503-Y548 HydrophobicContact CG-CE1 3.64Å; R503-Y548 HydrophobicContact CG-CE2 4.18Å; R503-Y548 HydrophobicContact CG-CG 4.38Å; I538-Y548 WeakPolarHBondContact CA-O 3.02Å; V539-Y548 PolarHBondContact N-O 2.76Å; V539-Y548 PolarHBondContact O-N 3.24Å; K546-Y548 HydrophobicContact CB-CE2 4.09Å; K546-Y548 VanDerWaalsContact O-CD2 3.31Å; K546-Y548 WeakPolarHBondContact O-CD2 3.38Å; K546-Y548 WeakPolarHBondContact O-CE2 3.46Å
549	I	88.1	Confident	87.4	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	125	166.6	-59.7	179.5	0	0	0	107.5	K502 L504 I521 V535 M551	K502-I549 PolarHBondContact N-O 3.01Å; K502-I549 PolarHBondContact O-N 3.2Å; L504-I549 HydrophobicContact CD1-CD1 4.36Å; L504-I549 HydrophobicContact CD1-CG1 4.15Å; L504-I549 HydrophobicContact CD2-CD1 3.81Å; L504-I549 HydrophobicContact CD2-CG1 4.2Å; L504-I549 HydrophobicContact CG-CD1 4.24Å; L504-I549 HydrophobicContact CG-CG1 4.08Å; I521-I549 HydrophobicContact CG1-CD1 3.84Å; I521-I549 HydrophobicContact CG1-CG1 4.36Å; V535-I549 HydrophobicContact CB-CG2 4.23Å; V535-I549 HydrophobicContact CG1-CG2 3.73Å; V535-I549 HydrophobicContact CG2-CG2 3.48Å; V535-I549 VanDerWaalsContact CG2-CG2 3.48Å; I549-M551 HydrophobicContact CG2-CG 3.96Å; I549-M551 HydrophobicContact CG2-SD 4.48Å
550	V	90.5	Very high	87.4	Confident	1 Å²	1	40 Å²	40	1%	0.006	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	123.5	175.7	-169.5	0	0	0	0	108.7	F473 V499 L501 R536 E537 V539	F473-V550 HydrophobicContact CE1-CG1 4.03Å; F473-V550 HydrophobicContact CE1-CG2 4.42Å; F473-V550 HydrophobicContact CZ-CG1 4.41Å; F473-V550 HydrophobicContact CZ-CG2 4.16Å; V499-V550 HydrophobicContact CB-CG1 3.95Å; V499-V550 HydrophobicContact CG1-CG1 4.12Å; V499-V550 HydrophobicContact CG2-CG1 4.06Å; L501-V550 HydrophobicContact CD2-CB 4.2Å; L501-V550 HydrophobicContact CD2-CG1 4.08Å; L501-V550 HydrophobicContact CD2-CG2 3.69Å; R536-V550 HydrophobicContact CB-CB 4.47Å; R536-V550 HydrophobicContact CB-CG1 4.41Å; R536-V550 PolarHBondContact N-O 3.01Å; E537-V550 HydrophobicContact CG-CB 3.79Å; E537-V550 HydrophobicContact CG-CG1 4.43Å; E537-V550 HydrophobicContact CG-CG2 3.66Å; E537-V550 PolarHBondContact O-N 2.9Å; V539-V550 HydrophobicContact CB-CG2 4.22Å; V539-V550 HydrophobicContact CG1-CG2 3.55Å; V539-V550 HydrophobicContact CG2-CG2 3.66Å
551	M	91.3	Very high	87.5	Confident	24 Å²	24	37.5 Å²	37.5	12%	0.118	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	157.5	-178.4	-60.4	175.7	-60.7	0	0	110.6	A500 K502 V533 T534 V535 I549 Y553	A500-M551 HydrophobicContact CB-CB 4.34Å; A500-M551 HydrophobicContact CB-CE 4.17Å; A500-M551 PolarHBondContact N-O 3.02Å; A500-M551 PolarHBondContact O-N 2.93Å; K502-M551 HydrophobicContact CB-CE 3.66Å; V533-M551 HydrophobicContact CG1-CB 3.88Å; V533-M551 HydrophobicContact CG1-CG 4.16Å; V533-M551 HydrophobicContact CG1-SD 3.85Å; T534-M551 WeakPolarHBondContact O-CA 3.34Å; V535-M551 HydrophobicContact CG2-CG 3.96Å; I549-M551 HydrophobicContact CG2-CG 3.96Å; I549-M551 HydrophobicContact CG2-SD 4.48Å; M551-Y553 PolarHBondContact O-N 2.93Å
552	N	91.4	Very high	87.7	Confident	45 Å²	45	37.2 Å²	37.2	24%	0.241	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	126.7	163.9	-77.5	-20.6	0	0	0	109.6	T534 R536	T534-N552 PolarHBondContact O-N 3.49Å; T534-N552 VanDerWaalsContact O-N 3.13Å; R536-N552 VanDerWaalsContact CZ-OD1 3.28Å; R536-N552 PolarHBondContact NE-OD1 3.37Å; R536-N552 PolarHBondContact NH2-OD1 3.49Å
553	Y	92.1	Very high	88.1	Confident	30 Å²	30	39.5 Å²	39.5	12%	0.118	20%	0.195	C	C	.	.			trans	-68.1	144.7	170.1	175.5	-110.9	0	0	0	110	I479 R489 I498 M551 E555 S777 E778	I479-Y553 HydrophobicContact CD1-CD2 4.01Å; I479-Y553 HydrophobicContact CD1-CE2 3.78Å; R489-Y553 HydrophobicContact CB-CE2 4.47Å; R489-Y553 HydrophobicContact CG-CD2 4.16Å; R489-Y553 HydrophobicContact CG-CE2 3.91Å; I498-Y553 HydrophobicContact CB-CD1 4.32Å; I498-Y553 HydrophobicContact CG2-CD1 3.55Å; I498-Y553 HydrophobicContact CG2-CD2 4.36Å; I498-Y553 HydrophobicContact CG2-CE1 4.11Å; I498-Y553 HydrophobicContact CG2-CG 3.69Å; I498-Y553 WeakPolarHBondContact O-CB 3.23Å; M551-Y553 PolarHBondContact O-N 2.93Å; Y553-E555 HydrophobicContact CE1-CG 4.04Å; Y553-S777 WeakPolarHBondContact OH-CB 3.35Å; Y553-S777 PolarHBondContact OH-OG 3.14Å; Y553-E778 VanDerWaalsContact CE1-OE1 3.27Å; Y553-E778 WeakPolarHBondContact CE1-OE1 3.48Å; Y553-E778 VanDerWaalsContact OH-CG 3.31Å; Y553-E778 WeakPolarHBondContact OH-CG 3.2Å; Y553-E778 PolarHBondContact OH-OE1 3.17Å
554	V	92.4	Very high	88.4	Confident	15 Å²	15	39.4 Å²	39.4	9%	0.091	20%	0.198	C	C	.	.			trans	-135.5	140.5	173.2	-172.3	0	0	0	0	107.5	L604 L605 K612	V554-L604 HydrophobicContact CB-CB 3.8Å; V554-L604 HydrophobicContact CB-CD1 3.96Å; V554-L604 HydrophobicContact CG1-CB 3.6Å; V554-L604 HydrophobicContact CG2-CB 4.3Å; V554-L604 HydrophobicContact CG2-CD1 4.16Å; V554-L605 VanDerWaalsContact CG1-C 3.49Å; V554-K612 HydrophobicContact CG2-CD 3.94Å
555	E	89.6	Confident	89.2	Confident	35 Å²	35	34.2 Å²	34.2	16%	0.164	17%	0.172	C	C	.	.	S	Bend	trans	-80.9	-24.7	-156.7	-55.5	95.6	110.2	0	0	114.3	Y553 S606 H607 A775 S777	Y553-E555 HydrophobicContact CE1-CG 4.04Å; E555-S606 WeakPolarHBondContact OE2-CA 3.46Å; E555-S606 VanDerWaalsContact OE2-CB 3.24Å; E555-S606 WeakPolarHBondContact OE2-CB 3.38Å; E555-H607 VanDerWaalsContact OE1-CB 3.29Å; E555-H607 WeakPolarHBondContact OE1-CB 3.3Å; E555-H607 IonicContact OE1-CD2 3.93Å; E555-H607 PolarHBondContact OE1-CD2 3.14Å; E555-H607 IonicContact OE1-CG 3.44Å; E555-H607 VanDerWaalsContact OE1-CG 3.26Å; E555-H607 PolarHBondContact OE1-N 2.74Å; E555-H607 IonicContact OE1-ND1 2.66Å; E555-A775 HydrophobicContact CB-CB 4.12Å; E555-A775 VanDerWaalsContact O-CB 3.27Å; E555-A775 WeakPolarHBondContact O-CB 2.97Å; E555-S777 PolarHBondContact O-OG 3.05Å
556	H	90.8	Very high	89.6	Confident	8 Å²	8	39.9 Å²	39.9	4%	0.037	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	144.4	178	-56.4	-87.4	0	0	0	112.3	L561 L604 L605 H607 W773 P774 A775	H556-L561 HydrophobicContact CB-CB 4.42Å; H556-L561 HydrophobicContact CB-CD2 4.44Å; H556-L604 CarbonylContact O-C 3.34Å; H556-L604 WeakPolarHBondContact O-CA 3.36Å; H556-L605 PolarHBondContact CD2-O 2.79Å; H556-L605 PolarHBondContact N-O 3.35Å; H556-L605 PolarHBondContact O-N 3.06Å; H556-H607 AromaticContact CD2-CE1 3.95Å; H556-H607 AromaticContact CD2-ND1 3.83Å; H556-W773 WeakPolarHBondContact NE2-CB 3.5Å; H556-W773 PolarHBondContact NE2-O 3.3Å; H556-P774 PolarHBondContact NE2-O 2.85Å; H556-A775 VanDerWaalsContact NE2-CA 3.3Å; H556-A775 WeakPolarHBondContact NE2-CA 3.33Å; H556-A775 PolarHBondContact NE2-N 3.15Å
557	D	91.5	Very high	89.8	Confident	49 Å²	49	43.5 Å²	43.5	26%	0.262	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	138.2	150.3	72.6	95.6	0	0	0	109.9	K559 S560 L561 L604	D557-K559 VanDerWaalsContact C-N 3.27Å; D557-K559 PolarHBondContact O-N 3.21Å; D557-S560 PolarHBondContact O-N 3.48Å; D557-S560 WeakPolarHBondContact OD1-CB 3.24Å; D557-S560 PolarHBondContact OD1-N 2.93Å; D557-S560 PolarHBondContact OD1-OG 2.92Å; D557-S560 WeakPolarHBondContact OD2-CB 3.32Å; D557-S560 PolarHBondContact OD2-OG 2.86Å; D557-L561 WeakPolarHBondContact O-CB 3.18Å; D557-L561 PolarHBondContact O-N 2.84Å; D557-L561 VanDerWaalsContact O-N 3.09Å; D557-L604 HydrophobicContact CB-CD2 3.9Å
558	L	92.9	Very high	90.1	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-64.8	-32.4	-172.3	-179.6	64.7	0	0	0	111.5	L561 M562 F569 L577 T600 L603 L666	L558-L561 PolarHBondContact O-N 3.48Å; L558-M562 HydrophobicContact CD1-CG 4.37Å; L558-M562 HydrophobicContact CD1-SD 4.27Å; L558-M562 HydrophobicContact CG-SD 3.98Å; L558-M562 WeakPolarHBondContact O-CB 3.2Å; L558-M562 WeakPolarHBondContact O-CG 3.31Å; L558-M562 PolarHBondContact O-N 3.1Å; L558-F569 HydrophobicContact CD1-CE2 3.64Å; L558-F569 HydrophobicContact CD1-CZ 3.66Å; L558-L577 HydrophobicContact CD1-CD1 4.41Å; L558-T600 WeakPolarHBondContact CB-O 3.23Å; L558-T600 HydrophobicContact CD2-CG2 4.29Å; L558-T600 PolarHBondContact N-O 3.43Å; L558-L603 HydrophobicContact CB-CB 4.16Å; L558-L603 VanDerWaalsContact CB-O 3.23Å; L558-L603 WeakPolarHBondContact CB-O 3.07Å; L558-L603 HydrophobicContact CD2-CB 3.99Å; L558-L603 HydrophobicContact CD2-CD1 4.04Å; L558-L603 PolarHBondContact N-O 3.24Å; L558-L666 HydrophobicContact CD1-CD2 4.44Å; L558-L666 HydrophobicContact CD2-CD2 4.28Å
559	K	91.8	Very high	90.3	Very high	37 Å²	37	45.5 Å²	45.5	16%	0.161	23%	0.226	C	C	.	.	H	α-helix	trans	-63.8	-52.8	176.1	-175.3	52.2	171	174.9	0	112.2	D557 L561 M562 E563 T600 E665	D557-K559 VanDerWaalsContact C-N 3.27Å; D557-K559 PolarHBondContact O-N 3.21Å; K559-L561 PolarHBondContact O-N 3.47Å; K559-M562 PolarHBondContact O-N 3.35Å; K559-E563 VanDerWaalsContact CE-OE1 3.24Å; K559-E563 WeakPolarHBondContact CE-OE1 3.44Å; K559-E563 IonicContact NZ-OE1 3.94Å; K559-E563 WeakPolarHBondContact O-CG 3.42Å; K559-E563 PolarHBondContact O-N 3.27Å; K559-E563 VanDerWaalsContact O-N 3.1Å; K559-T600 PolarHBondContact N-O 3.47Å; K559-E665 IonicContact NZ-OE1 3.36Å; K559-E665 PolarHBondContact NZ-OE1 2.68Å
560	S	90.1	Very high	90.6	Very high	22 Å²	22	50.8 Å²	50.8	15%	0.154	25%	0.254	C	S	.	.	H	α-helix	trans	-55.1	-40.4	174.3	-90.4	0	0	0	0	113.2	D557 E563 T564 K776	D557-S560 PolarHBondContact O-N 3.48Å; D557-S560 WeakPolarHBondContact OD1-CB 3.24Å; D557-S560 PolarHBondContact OD1-N 2.93Å; D557-S560 PolarHBondContact OD1-OG 2.92Å; D557-S560 WeakPolarHBondContact OD2-CB 3.32Å; D557-S560 PolarHBondContact OD2-OG 2.86Å; S560-E563 PolarHBondContact O-N 3.35Å; S560-T564 PolarHBondContact O-N 2.97Å; S560-T564 PolarHBondContact O-OG1 3.27Å; S560-K776 VanDerWaalsContact O-CE 3.26Å; S560-K776 WeakPolarHBondContact O-CE 3.48Å; S560-K776 PolarHBondContact O-NZ 3.37Å; S560-K776 PolarHBondContact OG-NZ 3.09Å
561	L	90.9	Very high	90.8	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-66.4	-48.3	-179.5	176.2	57.1	0	0	0	110.4	H556 D557 L558 K559 E563 T564 M565 F569 L605 W773	H556-L561 HydrophobicContact CB-CB 4.42Å; H556-L561 HydrophobicContact CB-CD2 4.44Å; D557-L561 WeakPolarHBondContact O-CB 3.18Å; D557-L561 PolarHBondContact O-N 2.84Å; D557-L561 VanDerWaalsContact O-N 3.09Å; L558-L561 PolarHBondContact O-N 3.48Å; K559-L561 PolarHBondContact O-N 3.47Å; L561-E563 PolarHBondContact O-N 3.29Å; L561-T564 CarbonylContact O-C 3.57Å; L561-T564 PolarHBondContact O-N 2.63Å; L561-T564 PolarHBondContact O-OG1 3.12Å; L561-M565 PolarHBondContact O-N 3.21Å; L561-F569 HydrophobicContact CD2-CZ 4.03Å; L561-L605 HydrophobicContact CD2-CD2 3.72Å; L561-W773 HydrophobicContact CD1-CB 3.73Å; L561-W773 HydrophobicContact CD1-CD2 3.58Å; L561-W773 HydrophobicContact CD1-CE3 4.01Å; L561-W773 HydrophobicContact CD1-CG 3.44Å; L561-W773 VanDerWaalsContact CD1-CG 3.44Å; L561-W773 HydrophobicContact CD2-CD2 4.19Å; L561-W773 HydrophobicContact CD2-CE3 3.77Å; L561-W773 HydrophobicContact CD2-CZ3 4.04Å; L561-W773 HydrophobicContact CG-CD2 4.44Å; L561-W773 HydrophobicContact CG-CE3 4.5Å
562	M	92.8	Very high	91	Very high	9 Å²	9	52.6 Å²	52.6	4%	0.044	27%	0.269	C	S	.	.	H	α-helix	trans	-60.3	-30.4	176.7	-70.1	172.3	71	0	0	113.4	L558 K559 T564 M565 F569 T600 E665 L666	L558-M562 HydrophobicContact CD1-CG 4.37Å; L558-M562 HydrophobicContact CD1-SD 4.27Å; L558-M562 HydrophobicContact CG-SD 3.98Å; L558-M562 WeakPolarHBondContact O-CB 3.2Å; L558-M562 WeakPolarHBondContact O-CG 3.31Å; L558-M562 PolarHBondContact O-N 3.1Å; K559-M562 PolarHBondContact O-N 3.35Å; M562-T564 VanDerWaalsContact C-N 3.29Å; M562-T564 PolarHBondContact O-N 2.72Å; M562-M565 HydrophobicContact CB-SD 4.41Å; M562-M565 HydrophobicContact CG-SD 4.12Å; M562-F569 HydrophobicContact CG-CD2 4.42Å; M562-F569 HydrophobicContact CG-CE2 3.76Å; M562-F569 HydrophobicContact SD-CE2 4.37Å; M562-T600 HydrophobicContact SD-CG2 4.26Å; M562-E665 HydrophobicContact CE-CG 3.87Å; M562-E665 VanDerWaalsContact CE-O 3.28Å; M562-E665 WeakPolarHBondContact CE-O 3.41Å; M562-L666 HydrophobicContact CE-CD2 4.27Å; M562-L666 HydrophobicContact SD-CD2 3.97Å
563	E	90.5	Very high	91.3	Very high	127 Å²	127	51 Å²	51	59%	0.593	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-7.7	174.1	-70.5	176	178.1	0	0	114.5	K559 S560 L561	K559-E563 VanDerWaalsContact CE-OE1 3.24Å; K559-E563 WeakPolarHBondContact CE-OE1 3.44Å; K559-E563 IonicContact NZ-OE1 3.94Å; K559-E563 WeakPolarHBondContact O-CG 3.42Å; K559-E563 PolarHBondContact O-N 3.27Å; K559-E563 VanDerWaalsContact O-N 3.1Å; S560-E563 PolarHBondContact O-N 3.35Å; L561-E563 PolarHBondContact O-N 3.29Å
564	T	87	Confident	91.5	Very high	86 Å²	86	49.8 Å²	49.8	53%	0.528	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.1	-12.3	-176.5	50.7	0	0	0	0	115.6	S560 L561 M562	S560-T564 PolarHBondContact O-N 2.97Å; S560-T564 PolarHBondContact O-OG1 3.27Å; L561-T564 CarbonylContact O-C 3.57Å; L561-T564 PolarHBondContact O-N 2.63Å; L561-T564 PolarHBondContact O-OG1 3.12Å; M562-T564 VanDerWaalsContact C-N 3.29Å; M562-T564 PolarHBondContact O-N 2.72Å
565	M	87.3	Confident	91.8	Very high	18 Å²	18	49.1 Å²	49.1	9%	0.089	25%	0.251	C	S	.	.			trans	-67.8	131.7	171	68	-167.6	-43.7	0	0	111.1	L561 M562 Q567 F569 W773	L561-M565 PolarHBondContact O-N 3.21Å; M562-M565 HydrophobicContact CB-SD 4.41Å; M562-M565 HydrophobicContact CG-SD 4.12Å; M565-Q567 VanDerWaalsContact CE-O 3.3Å; M565-Q567 WeakPolarHBondContact CE-O 3.49Å; M565-Q567 VanDerWaalsContact CG-O 3.22Å; M565-Q567 WeakPolarHBondContact CG-O 3.47Å; M565-F569 HydrophobicContact CE-CD1 3.75Å; M565-F569 HydrophobicContact CE-CD2 3.81Å; M565-F569 HydrophobicContact CE-CE1 3.78Å; M565-F569 HydrophobicContact CE-CE2 3.84Å; M565-F569 HydrophobicContact CE-CG 3.77Å; M565-F569 HydrophobicContact CE-CZ 3.81Å; M565-F569 HydrophobicContact SD-CD2 3.95Å; M565-F569 HydrophobicContact SD-CE2 3.79Å; M565-F569 HydrophobicContact SD-CG 4.5Å; M565-F569 HydrophobicContact SD-CZ 4.2Å; M565-W773 HydrophobicContact CE-CZ2 3.99Å
566	K	83.6	Confident	92.1	Very high	214 Å²	214	47.9 Å²	47.9	93%	0.93	25%	0.246	S	C	*	.	S	Bend	trans	-74.8	-25.2	-177.5	-68.4	-176.3	178.8	179.4	0	113.9
567	Q	87.3	Confident	92.5	Very high	157 Å²	157	47.6 Å²	47.6	73%	0.734	24%	0.244	S	C	*	.	S	Bend	trans	-122.3	146.4	175.7	-71.2	172.5	-40.3	0	0	107.2	M565	M565-Q567 VanDerWaalsContact CE-O 3.3Å; M565-Q567 WeakPolarHBondContact CE-O 3.49Å; M565-Q567 VanDerWaalsContact CG-O 3.22Å; M565-Q567 WeakPolarHBondContact CG-O 3.47Å
568	P	91.4	Very high	92.8	Very high	67 Å²	67	45.2 Å²	45.2	44%	0.435	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-66.9	165	172.6	31.4	-36.6	0	0	0	111.2	Q669	P568-Q669 HydrophobicContact CB-CG 4Å
569	F	93.4	Very high	93.1	Very high	8 Å²	8	46.3 Å²	46.3	4%	0.035	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-60.5	137.2	168.7	-69.6	-72.6	0	0	0	110.8	L558 L561 M562 M565 E573 I574 L577 L605 L666 F770 W773	L558-F569 HydrophobicContact CD1-CE2 3.64Å; L558-F569 HydrophobicContact CD1-CZ 3.66Å; L561-F569 HydrophobicContact CD2-CZ 4.03Å; M562-F569 HydrophobicContact CG-CD2 4.42Å; M562-F569 HydrophobicContact CG-CE2 3.76Å; M562-F569 HydrophobicContact SD-CE2 4.37Å; M565-F569 HydrophobicContact CE-CD1 3.75Å; M565-F569 HydrophobicContact CE-CD2 3.81Å; M565-F569 HydrophobicContact CE-CE1 3.78Å; M565-F569 HydrophobicContact CE-CE2 3.84Å; M565-F569 HydrophobicContact CE-CG 3.77Å; M565-F569 HydrophobicContact CE-CZ 3.81Å; M565-F569 HydrophobicContact SD-CD2 3.95Å; M565-F569 HydrophobicContact SD-CE2 3.79Å; M565-F569 HydrophobicContact SD-CG 4.5Å; M565-F569 HydrophobicContact SD-CZ 4.2Å; F569-E573 VanDerWaalsContact CA-OE2 3.23Å; F569-E573 WeakPolarHBondContact CA-OE2 3.48Å; F569-E573 HydrophobicContact CB-CB 4.2Å; F569-E573 HydrophobicContact CD1-CB 4.06Å; F569-I574 HydrophobicContact CB-CD1 4.14Å; F569-I574 HydrophobicContact CB-CG1 3.57Å; F569-L577 HydrophobicContact CD1-CD1 4.06Å; F569-L577 HydrophobicContact CD2-CD1 4.19Å; F569-L577 HydrophobicContact CE1-CD1 3.92Å; F569-L577 HydrophobicContact CE2-CD1 4.07Å; F569-L577 HydrophobicContact CG-CD1 4.19Å; F569-L577 HydrophobicContact CZ-CD1 3.93Å; F569-L605 HydrophobicContact CE1-CD2 4.38Å; F569-L605 HydrophobicContact CZ-CD2 4.3Å; F569-L666 HydrophobicContact CD2-CD2 3.7Å; F569-L666 HydrophobicContact CE2-CD2 3.89Å; F569-F770 HydrophobicContact CD1-CE1 4.45Å; F569-F770 HydrophobicContact CE1-CE1 4.25Å; F569-W773 HydrophobicContact CD1-CH2 4.34Å; F569-W773 AromaticContact CE1-CH2 3.62Å; F569-W773 HydrophobicContact CE1-CH2 3.62Å; F569-W773 HydrophobicContact CE1-CZ2 4.14Å; F569-W773 HydrophobicContact CE1-CZ3 4.31Å; F569-W773 HydrophobicContact CZ-CH2 4.47Å
570	L	94.1	Very high	93.4	Very high	113 Å²	113	45 Å²	45	59%	0.592	23%	0.232	S	C	*	.	P	Polyproline II helix	trans	-70.8	153.8	172.8	-59.5	178.3	0	0	0	110.3	G572 E573 I574	L570-G572 PolarHBondContact O-N 2.71Å; L570-G572 VanDerWaalsContact O-N 3.12Å; L570-E573 HydrophobicContact CB-CG 4.26Å; L570-E573 PolarHBondContact N-OE2 2.94Å; L570-E573 WeakPolarHBondContact O-CA 3.47Å; L570-E573 WeakPolarHBondContact O-CB 3.21Å; L570-E573 PolarHBondContact O-N 3.27Å; L570-I574 PolarHBondContact O-N 2.77Å
571	P	94.9	Very high	93.8	Very high	57 Å²	57	44 Å²	44	37%	0.37	23%	0.225	S	C	.	.	H	α-helix	trans	-58.2	-32.8	-176.5	-26.6	35.2	0	0	0	114.2	I574 K575 P762	P571-I574 PolarHBondContact O-N 3.2Å; P571-K575 WeakPolarHBondContact O-CB 3.37Å; P571-K575 WeakPolarHBondContact O-CG 3.49Å; P571-K575 PolarHBondContact O-N 3.27Å; P571-P762 HydrophobicContact CB-CG 3.85Å
572	G	96.1	Very high	94.2	Very high	5 Å²	5	44 Å²	44	5%	0.052	23%	0.225	C	C	.	.	H	α-helix	trans	-68.4	-34.7	173.2	0	0	0	0	0	113.9	L570 T576 L763 I765	L570-G572 PolarHBondContact O-N 2.71Å; L570-G572 VanDerWaalsContact O-N 3.12Å; G572-T576 PolarHBondContact O-N 2.87Å; G572-T576 VanDerWaalsContact O-N 3.12Å; G572-T576 PolarHBondContact O-OG1 2.82Å; G572-T576 VanDerWaalsContact O-OG1 3.11Å; G572-L763 VanDerWaalsContact CA-O 3.27Å; G572-L763 WeakPolarHBondContact CA-O 3.35Å; G572-I765 PolarHBondContact O-N 3.13Å
573	E	95.9	Very high	94.5	Very high	13 Å²	13	49.7 Å²	49.7	6%	0.061	25%	0.246	C	C	.	.	H	α-helix	trans	-67.1	-45.6	171.2	-64.5	175.2	137.6	0	0	110.4	F569 L570 K575 T576 L577 I765 F770 P771	F569-E573 VanDerWaalsContact CA-OE2 3.23Å; F569-E573 WeakPolarHBondContact CA-OE2 3.48Å; F569-E573 HydrophobicContact CB-CB 4.2Å; F569-E573 HydrophobicContact CD1-CB 4.06Å; L570-E573 HydrophobicContact CB-CG 4.26Å; L570-E573 PolarHBondContact N-OE2 2.94Å; L570-E573 WeakPolarHBondContact O-CA 3.47Å; L570-E573 WeakPolarHBondContact O-CB 3.21Å; L570-E573 PolarHBondContact O-N 3.27Å; E573-K575 VanDerWaalsContact C-N 3.33Å; E573-K575 PolarHBondContact O-N 3Å; E573-T576 PolarHBondContact O-N 3.19Å; E573-T576 VanDerWaalsContact O-N 3.11Å; E573-L577 WeakPolarHBondContact O-CG 3.39Å; E573-L577 PolarHBondContact O-N 2.9Å; E573-I765 HydrophobicContact CG-CD1 3.57Å; E573-I765 HydrophobicContact CG-CG1 4.26Å; E573-F770 HydrophobicContact CB-CE1 3.95Å; E573-F770 HydrophobicContact CB-CZ 3.79Å; E573-F770 HydrophobicContact CG-CE1 4.23Å; E573-F770 HydrophobicContact CG-CZ 4.16Å; E573-P771 WeakPolarHBondContact OE1-CD 3.23Å
574	I	97	Very high	94.8	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-59	-44.9	177.2	-63.4	176.8	0	0	0	110.4	F569 L570 P571 T576 L577 M578 F663 L666 L667	F569-I574 HydrophobicContact CB-CD1 4.14Å; F569-I574 HydrophobicContact CB-CG1 3.57Å; L570-I574 PolarHBondContact O-N 2.77Å; P571-I574 PolarHBondContact O-N 3.2Å; I574-T576 VanDerWaalsContact C-N 3.33Å; I574-T576 PolarHBondContact O-N 3.35Å; I574-L577 PolarHBondContact O-N 3.16Å; I574-M578 HydrophobicContact CG2-CG 4.22Å; I574-M578 VanDerWaalsContact O-CB 3.32Å; I574-M578 WeakPolarHBondContact O-CB 3.33Å; I574-M578 VanDerWaalsContact O-CG 3.24Å; I574-M578 WeakPolarHBondContact O-CG 3.43Å; I574-M578 PolarHBondContact O-N 3.08Å; I574-F663 HydrophobicContact CG2-CD2 3.95Å; I574-F663 HydrophobicContact CG2-CE2 3.87Å; I574-L666 HydrophobicContact CD1-CB 4.35Å; I574-L666 HydrophobicContact CG1-CB 4.31Å; I574-L666 HydrophobicContact CG2-CB 4.12Å; I574-L666 HydrophobicContact CG2-CD1 4.33Å; I574-L667 HydrophobicContact CD1-CD2 3.85Å; I574-L667 HydrophobicContact CD1-CG 4.32Å; I574-L667 HydrophobicContact CG2-CD2 4.44Å
575	K	98	Very high	95.3	Very high	1 Å²	1	39.6 Å²	39.6	0%	0.004	19%	0.193	C	C	.	.	H	α-helix	trans	-58.1	-43.2	174.5	-76.6	178.6	-173.5	-167.3	0	111.9	P571 E573 M578 L579 Y757 F758 E760 P762 P764	P571-K575 WeakPolarHBondContact O-CB 3.37Å; P571-K575 WeakPolarHBondContact O-CG 3.49Å; P571-K575 PolarHBondContact O-N 3.27Å; E573-K575 VanDerWaalsContact C-N 3.33Å; E573-K575 PolarHBondContact O-N 3Å; K575-M578 PolarHBondContact O-N 3.45Å; K575-L579 WeakPolarHBondContact O-CG 3.29Å; K575-L579 PolarHBondContact O-N 3.41Å; K575-Y757 HydrophobicContact CD-CE1 4.31Å; K575-Y757 WeakPolarHBondContact CD-O 3.49Å; K575-Y757 VanDerWaalsContact CE-CZ 3.42Å; K575-Y757 WeakPolarHBondContact CE-O 3.28Å; K575-Y757 HydrophobicContact CG-CD1 4.25Å; K575-Y757 HydrophobicContact CG-CE1 3.62Å; K575-Y757 PolarHBondContact NZ-O 3.22Å; K575-F758 HydrophobicContact CB-CD1 4.11Å; K575-F758 HydrophobicContact CB-CE1 4.35Å; K575-F758 HydrophobicContact CG-CD1 4.16Å; K575-F758 HydrophobicContact CG-CE1 4.38Å; K575-E760 PolarHBondContact NZ-O 3.43Å; K575-E760 IonicContact NZ-OE1 3.2Å; K575-E760 PolarHBondContact NZ-OE1 2.99Å; K575-P762 VanDerWaalsContact CD-O 3.26Å; K575-P762 WeakPolarHBondContact CD-O 3.47Å; K575-P762 WeakPolarHBondContact CE-O 3.39Å; K575-P762 PolarHBondContact NZ-O 2.71Å; K575-P764 HydrophobicContact CB-CB 4.12Å; K575-P764 HydrophobicContact CB-CG 4.05Å
576	T	98	Very high	95.8	Very high	8 Å²	8	43.1 Å²	43.1	5%	0.049	21%	0.205	C	C	.	.	H	α-helix	trans	-68.3	-39.3	177.6	-60.7	0	0	0	0	113.3	G572 E573 I574 Q580 P764 I765 P767 F770	G572-T576 PolarHBondContact O-N 2.87Å; G572-T576 VanDerWaalsContact O-N 3.12Å; G572-T576 PolarHBondContact O-OG1 2.82Å; G572-T576 VanDerWaalsContact O-OG1 3.11Å; E573-T576 PolarHBondContact O-N 3.19Å; E573-T576 VanDerWaalsContact O-N 3.11Å; I574-T576 VanDerWaalsContact C-N 3.33Å; I574-T576 PolarHBondContact O-N 3.35Å; T576-Q580 WeakPolarHBondContact O-CB 2.99Å; T576-Q580 WeakPolarHBondContact O-CG 3.47Å; T576-Q580 PolarHBondContact O-N 2.89Å; T576-Q580 VanDerWaalsContact O-N 3.15Å; T576-Q580 PolarHBondContact O-NE2 2.94Å; T576-P764 WeakPolarHBondContact OG1-CA 3.47Å; T576-P764 WeakPolarHBondContact OG1-CB 3.43Å; T576-I765 VanDerWaalsContact CG2-O 3.3Å; T576-I765 WeakPolarHBondContact CG2-O 3.43Å; T576-I765 PolarHBondContact OG1-N 2.7Å; T576-I765 PolarHBondContact OG1-O 3.46Å; T576-P767 HydrophobicContact CG2-CG 4.1Å; T576-F770 HydrophobicContact CG2-CE2 3.74Å; T576-F770 HydrophobicContact CG2-CZ 4.19Å
577	L	98.1	Very high	96.4	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.01	17%	0.17	C	C	.	.	H	α-helix	trans	-64.6	-42.7	173.3	-66.3	176	0	0	0	111.1	L558 F569 E573 I574 Q580 L581 L605 L611 L666 F770	L558-L577 HydrophobicContact CD1-CD1 4.41Å; F569-L577 HydrophobicContact CD1-CD1 4.06Å; F569-L577 HydrophobicContact CD2-CD1 4.19Å; F569-L577 HydrophobicContact CE1-CD1 3.92Å; F569-L577 HydrophobicContact CE2-CD1 4.07Å; F569-L577 HydrophobicContact CG-CD1 4.19Å; F569-L577 HydrophobicContact CZ-CD1 3.93Å; E573-L577 WeakPolarHBondContact O-CG 3.39Å; E573-L577 PolarHBondContact O-N 2.9Å; I574-L577 PolarHBondContact O-N 3.16Å; L577-Q580 PolarHBondContact O-N 2.79Å; L577-L581 WeakPolarHBondContact O-CB 3.37Å; L577-L581 PolarHBondContact O-N 3.08Å; L577-L605 HydrophobicContact CD2-CD1 3.71Å; L577-L605 HydrophobicContact CD2-CD2 4.27Å; L577-L611 HydrophobicContact CB-CD1 4.2Å; L577-L611 HydrophobicContact CD2-CB 4.22Å; L577-L611 HydrophobicContact CD2-CD1 3.92Å; L577-L666 HydrophobicContact CB-CD1 4.4Å; L577-L666 HydrophobicContact CD1-CD2 3.87Å; L577-F770 HydrophobicContact CD1-CE1 4.29Å; L577-F770 HydrophobicContact CD2-CE1 3.79Å; L577-F770 HydrophobicContact CD2-CZ 3.98Å; L577-F770 HydrophobicContact CG-CE1 3.93Å; L577-F770 HydrophobicContact CG-CZ 3.93Å
578	M	98.6	Very high	96.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.8	-43.4	178.6	-74.5	-62.2	-61.2	0	0	112.5	I574 K575 Q580 L581 L582 V659 F663 L666 F738 F758	I574-M578 HydrophobicContact CG2-CG 4.22Å; I574-M578 VanDerWaalsContact O-CB 3.32Å; I574-M578 WeakPolarHBondContact O-CB 3.33Å; I574-M578 VanDerWaalsContact O-CG 3.24Å; I574-M578 WeakPolarHBondContact O-CG 3.43Å; I574-M578 PolarHBondContact O-N 3.08Å; K575-M578 PolarHBondContact O-N 3.45Å; M578-Q580 VanDerWaalsContact C-N 3.33Å; M578-Q580 PolarHBondContact O-N 2.9Å; M578-L581 PolarHBondContact O-N 2.94Å; M578-L581 HydrophobicContact SD-CD2 4.31Å; M578-L582 WeakPolarHBondContact O-CB 3.26Å; M578-L582 VanDerWaalsContact O-CG 3.23Å; M578-L582 WeakPolarHBondContact O-CG 3.42Å; M578-L582 PolarHBondContact O-N 3.16Å; M578-V659 HydrophobicContact CE-CG1 3.59Å; M578-F663 HydrophobicContact CE-CB 3.68Å; M578-F663 HydrophobicContact CE-CD1 4.44Å; M578-F663 HydrophobicContact CE-CD2 4.26Å; M578-F663 HydrophobicContact CE-CG 3.9Å; M578-F663 HydrophobicContact CG-CD2 3.85Å; M578-F663 HydrophobicContact CG-CE2 4.38Å; M578-F663 HydrophobicContact CG-CG 4.44Å; M578-F663 HydrophobicContact SD-CB 3.73Å; M578-F663 HydrophobicContact SD-CD2 4Å; M578-F663 HydrophobicContact SD-CG 4.07Å; M578-L666 HydrophobicContact CG-CD1 4.39Å; M578-L666 HydrophobicContact SD-CD1 4.15Å; M578-F738 HydrophobicContact CE-CE2 3.75Å; M578-F738 HydrophobicContact CE-CZ 4.06Å; M578-F758 HydrophobicContact CB-CE1 3.88Å; M578-F758 HydrophobicContact CB-CZ 4.02Å
579	L	98.6	Very high	96.9	Very high	23 Å²	23	24.8 Å²	24.8	12%	0.12	12%	0.117	C	C	.	.	H	α-helix	trans	-60.9	-41.5	174.2	-76.7	173.9	0	0	0	112.1	K575 R583 L753 F758 P764	K575-L579 WeakPolarHBondContact O-CG 3.29Å; K575-L579 PolarHBondContact O-N 3.41Å; L579-R583 WeakPolarHBondContact O-CB 3.42Å; L579-R583 VanDerWaalsContact O-CG 3.23Å; L579-R583 WeakPolarHBondContact O-CG 3.25Å; L579-R583 PolarHBondContact O-N 2.68Å; L579-L753 HydrophobicContact CD2-CD2 3.91Å; L579-F758 HydrophobicContact CD1-CB 4.37Å; L579-F758 HydrophobicContact CD1-CD1 4.02Å; L579-F758 HydrophobicContact CD1-CG 4.36Å; L579-F758 HydrophobicContact CD2-CB 4.1Å; L579-F758 HydrophobicContact CD2-CD1 3.73Å; L579-F758 HydrophobicContact CD2-CD2 3.89Å; L579-F758 HydrophobicContact CD2-CE1 4.09Å; L579-F758 HydrophobicContact CD2-CE2 4.24Å; L579-F758 HydrophobicContact CD2-CG 3.62Å; L579-F758 HydrophobicContact CD2-CZ 4.34Å; L579-F758 HydrophobicContact CG-CB 4.48Å; L579-F758 HydrophobicContact CG-CD1 3.56Å; L579-F758 HydrophobicContact CG-CE1 3.86Å; L579-F758 HydrophobicContact CG-CG 3.97Å; L579-P764 HydrophobicContact CD1-CB 3.9Å; L579-P764 HydrophobicContact CD1-CG 3.59Å
580	Q	98.4	Very high	96.9	Very high	9 Å²	9	28.6 Å²	28.6	4%	0.042	14%	0.137	C	C	.	.	H	α-helix	trans	-66.9	-42.1	176.8	-76	-172.7	85.4	0	0	112.6	N531 T576 L577 M578 R583 G584 G609 I610 L611	N531-Q580 VanDerWaalsContact CB-O 3.26Å; N531-Q580 WeakPolarHBondContact CB-O 3.15Å; N531-Q580 WeakPolarHBondContact ND2-CB 3.49Å; N531-Q580 WeakPolarHBondContact ND2-CG 3.09Å; N531-Q580 PolarHBondContact ND2-OE1 3.2Å; T576-Q580 WeakPolarHBondContact O-CB 2.99Å; T576-Q580 WeakPolarHBondContact O-CG 3.47Å; T576-Q580 PolarHBondContact O-N 2.89Å; T576-Q580 VanDerWaalsContact O-N 3.15Å; T576-Q580 PolarHBondContact O-NE2 2.94Å; L577-Q580 PolarHBondContact O-N 2.79Å; M578-Q580 VanDerWaalsContact C-N 3.33Å; M578-Q580 PolarHBondContact O-N 2.9Å; Q580-R583 PolarHBondContact O-N 2.91Å; Q580-G584 PolarHBondContact O-N 3.41Å; Q580-G584 VanDerWaalsContact O-N 3.09Å; Q580-G609 PolarHBondContact NE2-O 3.22Å; Q580-I610 VanDerWaalsContact OE1-CA 3.3Å; Q580-L611 HydrophobicContact CB-CB 4.04Å; Q580-L611 HydrophobicContact CB-CD2 4.33Å
581	L	98.6	Very high	96.7	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.01	13%	0.126	C	C	.	.	H	α-helix	trans	-60.4	-49.5	174	176.5	58.8	0	0	0	110.7	L577 M578 R583 G584 V585 L598 L603 L611 I613 V659 I662	L577-L581 WeakPolarHBondContact O-CB 3.37Å; L577-L581 PolarHBondContact O-N 3.08Å; M578-L581 PolarHBondContact O-N 2.94Å; M578-L581 HydrophobicContact SD-CD2 4.31Å; L581-R583 PolarHBondContact O-N 2.87Å; L581-G584 PolarHBondContact O-N 2.86Å; L581-V585 HydrophobicContact CD1-CG2 3.99Å; L581-V585 HydrophobicContact CG-CG2 4.43Å; L581-V585 WeakPolarHBondContact O-CG2 3.26Å; L581-V585 PolarHBondContact O-N 3.25Å; L581-L598 HydrophobicContact CD1-CD2 4.48Å; L581-L603 HydrophobicContact CD1-CD1 3.95Å; L581-L603 HydrophobicContact CD1-CD2 3.7Å; L581-L603 HydrophobicContact CD2-CD1 4.01Å; L581-L611 HydrophobicContact CB-CD2 4.22Å; L581-I613 HydrophobicContact CD1-CD1 3.98Å; L581-I613 HydrophobicContact CD1-CG1 4.02Å; L581-V659 HydrophobicContact CD2-CG1 4.17Å; L581-V659 HydrophobicContact CD2-CG2 4.13Å; L581-V659 HydrophobicContact CG-CG2 4.22Å; L581-I662 HydrophobicContact CD2-CB 4.44Å; L581-I662 HydrophobicContact CD2-CD1 4.32Å; L581-I662 HydrophobicContact CD2-CG2 3.94Å
582	L	98.7	Very high	96.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-62.8	-39.1	179.3	-73.2	170.2	0	0	0	112.9	M578 V585 R586 M656 V659 F738 A752 L753 F758	M578-L582 WeakPolarHBondContact O-CB 3.26Å; M578-L582 VanDerWaalsContact O-CG 3.23Å; M578-L582 WeakPolarHBondContact O-CG 3.42Å; M578-L582 PolarHBondContact O-N 3.16Å; L582-V585 PolarHBondContact O-N 3.03Å; L582-R586 VanDerWaalsContact O-CB 3.26Å; L582-R586 WeakPolarHBondContact O-CB 3.28Å; L582-R586 PolarHBondContact O-N 3.3Å; L582-M656 HydrophobicContact CD2-CE 3.82Å; L582-V659 HydrophobicContact CD2-CG1 3.99Å; L582-F738 HydrophobicContact CD1-CZ 4.24Å; L582-F738 HydrophobicContact CD2-CE1 3.98Å; L582-F738 HydrophobicContact CD2-CZ 3.98Å; L582-A752 HydrophobicContact CD1-CB 3.88Å; L582-A752 HydrophobicContact CD2-CB 3.75Å; L582-A752 HydrophobicContact CG-CB 4.46Å; L582-L753 HydrophobicContact CB-CD2 3.54Å; L582-L753 HydrophobicContact CB-CG 3.83Å; L582-L753 HydrophobicContact CD1-CD2 4.38Å; L582-F758 HydrophobicContact CD1-CE2 3.92Å; L582-F758 HydrophobicContact CD1-CZ 3.86Å
583	R	98.5	Very high	96.1	Very high	130 Å²	130	30.5 Å²	30.5	49%	0.491	13%	0.133	S	C	.	.	H	α-helix	trans	-61.4	-43.9	173	-73.3	168.6	-175.8	175.2	0.9	111.7	L579 Q580 L581 H587 L753	L579-R583 WeakPolarHBondContact O-CB 3.42Å; L579-R583 VanDerWaalsContact O-CG 3.23Å; L579-R583 WeakPolarHBondContact O-CG 3.25Å; L579-R583 PolarHBondContact O-N 2.68Å; Q580-R583 PolarHBondContact O-N 2.91Å; L581-R583 PolarHBondContact O-N 2.87Å; R583-H587 WeakPolarHBondContact O-CB 3.49Å; R583-H587 PolarHBondContact O-N 3.13Å; R583-L753 HydrophobicContact CG-CD1 4.27Å; R583-L753 HydrophobicContact CG-CD2 3.83Å
584	G	97.6	Very high	95.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-65.2	-44.1	175.7	0	0	0	0	0	113.4	Q580 L581 H587 L588	Q580-G584 PolarHBondContact O-N 3.41Å; Q580-G584 VanDerWaalsContact O-N 3.09Å; L581-G584 PolarHBondContact O-N 2.86Å; G584-H587 PolarHBondContact O-N 3.39Å; G584-L588 WeakPolarHBondContact O-CG 3.42Å; G584-L588 PolarHBondContact O-N 3.28Å; G584-L588 VanDerWaalsContact O-N 3.11Å
585	V	97.8	Very high	95.5	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.006	13%	0.129	C	C	.	.	H	α-helix	trans	-66.5	-42.7	177.6	174	0	0	0	0	111.2	L581 L582 H587 L588 H589 L598 I613 D655 M656 V659 A749	L581-V585 HydrophobicContact CD1-CG2 3.99Å; L581-V585 HydrophobicContact CG-CG2 4.43Å; L581-V585 WeakPolarHBondContact O-CG2 3.26Å; L581-V585 PolarHBondContact O-N 3.25Å; L582-V585 PolarHBondContact O-N 3.03Å; V585-H587 PolarHBondContact O-N 3.18Å; V585-L588 WeakPolarHBondContact O-CB 3.16Å; V585-L588 PolarHBondContact O-N 2.95Å; V585-H589 WeakPolarHBondContact CG1-CE1 3.34Å; V585-H589 PolarHBondContact O-N 3.45Å; V585-L598 HydrophobicContact CG2-CD1 3.64Å; V585-L598 HydrophobicContact CG2-CD2 4.37Å; V585-I613 HydrophobicContact CG2-CD1 3.87Å; V585-D655 HydrophobicContact CG1-CB 4.41Å; V585-M656 HydrophobicContact CG1-SD 3.85Å; V585-V659 HydrophobicContact CG2-CG2 4.09Å; V585-A749 HydrophobicContact CG1-CB 4.26Å
586	R	97.8	Very high	95	Very high	92 Å²	92	30.6 Å²	30.6	35%	0.347	13%	0.132	S	C	.	.	H	α-helix	trans	-57.3	-50.1	172.6	-177.5	179.9	159.6	-172.3	-16.2	110.9	L582 L588 H589 D590 A749 D750 L753	L582-R586 VanDerWaalsContact O-CB 3.26Å; L582-R586 WeakPolarHBondContact O-CB 3.28Å; L582-R586 PolarHBondContact O-N 3.3Å; R586-L588 PolarHBondContact O-N 2.94Å; R586-H589 PolarHBondContact O-N 3.15Å; R586-D590 IonicContact CZ-OD2 3.3Å; R586-D590 IonicContact NE-OD1 2.65Å; R586-D590 IonicContact NE-OD2 2.68Å; R586-D590 PolarHBondContact NE-OD2 2.7Å; R586-D590 IonicContact NH2-OD2 2.93Å; R586-D590 PolarHBondContact NH2-OD2 2.95Å; R586-D590 VanDerWaalsContact NH2-OD2 3.09Å; R586-D590 WeakPolarHBondContact O-CB 3.46Å; R586-D590 VanDerWaalsContact O-CG 3.3Å; R586-D590 PolarHBondContact O-N 2.68Å; R586-A749 HydrophobicContact CB-CB 3.67Å; R586-A749 HydrophobicContact CG-CB 4.39Å; R586-D750 IonicContact CZ-OD1 2.7Å; R586-D750 IonicContact NE-OD1 3.66Å; R586-D750 IonicContact NH1-OD1 3.89Å; R586-D750 PolarHBondContact NH1-OD1 2.97Å; R586-L753 HydrophobicContact CB-CD1 4.19Å
587	H	96.3	Very high	94.5	Very high	40 Å²	40	30.7 Å²	30.7	19%	0.185	13%	0.133	C	C	.	.	H	α-helix	trans	-58.4	-35.9	179.1	176.5	92.8	0	0	0	112.7	H529 R583 G584 V585 N591	H529-H587 HydrophobicContact CB-CB 4.28Å; H529-H587 AromaticContact CD2-CG 3.83Å; H529-H587 AromaticContact CD2-ND1 3.81Å; H529-H587 AromaticContact CG-CG 3.8Å; R583-H587 WeakPolarHBondContact O-CB 3.49Å; R583-H587 PolarHBondContact O-N 3.13Å; G584-H587 PolarHBondContact O-N 3.39Å; V585-H587 PolarHBondContact O-N 3.18Å; H587-N591 PolarHBondContact CE1-ND2 3.28Å; H587-N591 WeakPolarHBondContact O-CB 3.21Å; H587-N591 PolarHBondContact O-N 3.06Å; H587-N591 PolarHBondContact O-ND2 3.02Å
588	L	94.3	Very high	94.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-65.5	-47	173.1	-69.8	170.1	0	0	0	111.8	A527 I532 G584 V585 R586 N591 W592 I593 H595 I613 F616	A527-L588 HydrophobicContact CB-CD2 3.61Å; I532-L588 HydrophobicContact CD1-CD1 4.38Å; I532-L588 HydrophobicContact CD1-CD2 3.78Å; I532-L588 HydrophobicContact CD1-CG 3.78Å; G584-L588 WeakPolarHBondContact O-CG 3.42Å; G584-L588 PolarHBondContact O-N 3.28Å; G584-L588 VanDerWaalsContact O-N 3.11Å; V585-L588 WeakPolarHBondContact O-CB 3.16Å; V585-L588 PolarHBondContact O-N 2.95Å; R586-L588 PolarHBondContact O-N 2.94Å; L588-N591 CarbonylContact O-C 3.56Å; L588-N591 PolarHBondContact O-N 2.99Å; L588-W592 PolarHBondContact O-N 3.05Å; L588-I593 CarbonylContact C-O 3.59Å; L588-I593 HydrophobicContact CB-CB 4.32Å; L588-I593 HydrophobicContact CD2-CB 4.13Å; L588-I593 HydrophobicContact CD2-CD1 4.24Å; L588-I593 HydrophobicContact CD2-CG2 3.92Å; L588-I593 WeakPolarHBondContact O-CA 3.28Å; L588-I593 WeakPolarHBondContact O-CB 3.28Å; L588-I593 PolarHBondContact O-N 2.81Å; L588-H595 HydrophobicContact CD1-CB 4.43Å; L588-I613 HydrophobicContact CD1-CD1 4.49Å; L588-F616 HydrophobicContact CD1-CE1 3.75Å; L588-F616 HydrophobicContact CD1-CZ 4.16Å; L588-F616 HydrophobicContact CD2-CE1 3.56Å; L588-F616 HydrophobicContact CD2-CZ 4.15Å; L588-F616 HydrophobicContact CG-CE1 4.31Å
589	H	94.6	Very high	94.1	Very high	13 Å²	13	31.7 Å²	31.7	6%	0.06	14%	0.137	C	C	.	.	H	α-helix	trans	-65.3	-44.3	-179.7	-65.5	176.3	0	0	0	112	V585 R586 N591 W592 I593 Y622 T652 D655	V585-H589 WeakPolarHBondContact CG1-CE1 3.34Å; V585-H589 PolarHBondContact O-N 3.45Å; R586-H589 PolarHBondContact O-N 3.15Å; H589-N591 PolarHBondContact O-N 2.84Å; H589-W592 PolarHBondContact O-N 3.42Å; H589-I593 PolarHBondContact CD2-O 3.19Å; H589-Y622 PolarHBondContact O-OH 3.17Å; H589-Y622 VanDerWaalsContact O-OH 3.08Å; H589-T652 HydrophobicContact CB-CG2 3.76Å; H589-T652 PolarHBondContact CE1-O 3.03Å; H589-T652 VanDerWaalsContact CG-CG2 3.43Å; H589-T652 WeakPolarHBondContact ND1-CB 3.39Å; H589-D655 IonicContact CD2-OD2 3.09Å; H589-D655 IonicContact CE1-OD2 2.62Å; H589-D655 IonicContact NE2-OD2 3.9Å; H589-D655 PolarHBondContact NE2-OD2 2.67Å
590	D	93.8	Very high	93.9	Very high	87 Å²	87	30.6 Å²	30.6	47%	0.465	13%	0.131	S	C	.	.	H	α-helix	trans	-60.2	-28.4	174.1	-67.3	6.3	0	0	0	111.8	R586	R586-D590 IonicContact CZ-OD2 3.3Å; R586-D590 IonicContact NE-OD1 2.65Å; R586-D590 IonicContact NE-OD2 2.68Å; R586-D590 PolarHBondContact NE-OD2 2.7Å; R586-D590 IonicContact NH2-OD2 2.93Å; R586-D590 PolarHBondContact NH2-OD2 2.95Å; R586-D590 VanDerWaalsContact NH2-OD2 3.09Å; R586-D590 WeakPolarHBondContact O-CB 3.46Å; R586-D590 VanDerWaalsContact O-CG 3.3Å; R586-D590 PolarHBondContact O-N 2.68Å
591	N	90.4	Very high	93.5	Very high	65 Å²	65	31.8 Å²	31.8	35%	0.348	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	15.9	174	-77.6	-88.5	0	0	0	114.1	H587 L588 H589 I593	H587-N591 PolarHBondContact CE1-ND2 3.28Å; H587-N591 WeakPolarHBondContact O-CB 3.21Å; H587-N591 PolarHBondContact O-N 3.06Å; H587-N591 PolarHBondContact O-ND2 3.02Å; L588-N591 CarbonylContact O-C 3.56Å; L588-N591 PolarHBondContact O-N 2.99Å; H589-N591 PolarHBondContact O-N 2.84Å; N591-I593 VanDerWaalsContact C-N 3.31Å; N591-I593 HydrophobicContact CB-CD1 4.22Å; N591-I593 PolarHBondContact O-N 3.28Å
592	W	89.5	Confident	93.3	Very high	151 Å²	151	32 Å²	32	57%	0.572	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.8	26.5	178.7	-55.2	84.7	0	0	0	115.1	L588 H589 E621 Y622	L588-W592 PolarHBondContact O-N 3.05Å; H589-W592 PolarHBondContact O-N 3.42Å; W592-E621 CarbonylContact O-C 3.59Å; W592-E621 VanDerWaalsContact O-CA 3.25Å; W592-E621 WeakPolarHBondContact O-CA 3.44Å; W592-Y622 VanDerWaalsContact CA-CE1 3.48Å; W592-Y622 HydrophobicContact CB-CE1 4.4Å; W592-Y622 HydrophobicContact CD2-CE2 4.45Å; W592-Y622 AromaticContact CE3-CD2 3.86Å; W592-Y622 HydrophobicContact CE3-CD2 3.86Å; W592-Y622 AromaticContact CE3-CE2 3.42Å; W592-Y622 HydrophobicContact CE3-CE2 3.42Å; W592-Y622 VanDerWaalsContact CE3-CE2 3.42Å; W592-Y622 AromaticContact CE3-CZ 3.86Å; W592-Y622 HydrophobicContact CZ3-CD2 4.31Å; W592-Y622 AromaticContact CZ3-CE2 3.72Å; W592-Y622 HydrophobicContact CZ3-CE2 3.72Å; W592-Y622 WeakPolarHBondContact O-CD1 3.32Å; W592-Y622 PolarHBondContact O-N 3.24Å
593	I	88.4	Confident	93.1	Very high	0 Å²	0	32 Å²	32	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	123.2	-178.3	-60.2	163	0	0	0	110.7	T523 K526 A527 L588 H589 N591 A619	T523-I593 HydrophobicContact CG2-CB 4.42Å; T523-I593 HydrophobicContact CG2-CD1 3.78Å; T523-I593 HydrophobicContact CG2-CG1 3.96Å; T523-I593 HydrophobicContact CG2-CG2 3.55Å; K526-I593 HydrophobicContact CB-CD1 4.45Å; A527-I593 HydrophobicContact CB-CD1 4.02Å; L588-I593 CarbonylContact C-O 3.59Å; L588-I593 HydrophobicContact CB-CB 4.32Å; L588-I593 HydrophobicContact CD2-CB 4.13Å; L588-I593 HydrophobicContact CD2-CD1 4.24Å; L588-I593 HydrophobicContact CD2-CG2 3.92Å; L588-I593 WeakPolarHBondContact O-CA 3.28Å; L588-I593 WeakPolarHBondContact O-CB 3.28Å; L588-I593 PolarHBondContact O-N 2.81Å; H589-I593 PolarHBondContact CD2-O 3.19Å; N591-I593 VanDerWaalsContact C-N 3.31Å; N591-I593 HydrophobicContact CB-CD1 4.22Å; N591-I593 PolarHBondContact O-N 3.28Å; I593-A619 HydrophobicContact CG2-CB 4.2Å
594	L	89.3	Confident	92.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	135.8	164.5	-55	-176	0	0	0	110	R596 A619 R620 Y622 Y650 T652	L594-R596 HydrophobicContact CB-CG 3.68Å; L594-A619 CarbonylContact O-C 3.32Å; L594-A619 WeakPolarHBondContact O-CA 3.24Å; L594-A619 WeakPolarHBondContact O-CB 3.49Å; L594-R620 PolarHBondContact N-O 3.33Å; L594-R620 PolarHBondContact O-N 3.49Å; L594-Y622 HydrophobicContact CD1-CD1 4.45Å; L594-Y622 HydrophobicContact CD2-CD1 3.49Å; L594-Y622 VanDerWaalsContact CD2-CD1 3.49Å; L594-Y622 HydrophobicContact CD2-CE1 3.74Å; L594-Y622 HydrophobicContact CD2-CG 4.2Å; L594-Y622 HydrophobicContact CG-CD1 3.58Å; L594-Y622 HydrophobicContact CG-CE1 4.33Å; L594-Y622 HydrophobicContact CG-CG 4.11Å; L594-Y650 HydrophobicContact CD1-CD2 4.23Å; L594-Y650 HydrophobicContact CD1-CE2 4.29Å; L594-T652 HydrophobicContact CD2-CG2 3.92Å
595	H	89.9	Confident	92.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.129	C	C	.	.			trans	-82.8	-45.6	177.5	-168.6	-39.2	0	0	0	112.2	L588 D597 L598 I613 G614 D615 D655	L588-H595 HydrophobicContact CD1-CB 4.43Å; H595-D597 PolarHBondContact O-N 3.08Å; H595-D597 VanDerWaalsContact O-N 3.11Å; H595-L598 HydrophobicContact CB-CD2 4.28Å; H595-L598 HydrophobicContact CB-CG 4.05Å; H595-L598 WeakPolarHBondContact CD2-CD2 3.3Å; H595-I613 WeakPolarHBondContact CD2-CG2 3.37Å; H595-I613 VanDerWaalsContact NE2-CG2 3.33Å; H595-I613 WeakPolarHBondContact NE2-CG2 3.26Å; H595-G614 PolarHBondContact NE2-O 3Å; H595-D615 PolarHBondContact CE1-O 2.76Å; H595-D655 PolarHBondContact N-OD2 2.89Å
596	R	88.1	Confident	92.6	Very high	19 Å²	19	28.8 Å²	28.8	7%	0.072	14%	0.135	C	C	.	.	S	Bend	trans	61.6	12.2	176.3	-39.8	-174.6	-54.8	130.4	15.7	115.9	L594 L618 V632 Y650 D655	L594-R596 HydrophobicContact CB-CG 3.68Å; R596-L618 VanDerWaalsContact CZ-O 3.25Å; R596-L618 PolarHBondContact NE-O 3.11Å; R596-L618 PolarHBondContact NH2-O 3.14Å; R596-V632 VanDerWaalsContact NH1-CG2 3.28Å; R596-Y650 PolarHBondContact NH1-OH 2.63Å; R596-D655 WeakPolarHBondContact CA-OD1 3.48Å; R596-D655 PolarHBondContact N-OD1 2.99Å
597	D	87.9	Confident	92.1	Very high	10 Å²	10	27.2 Å²	27.2	5%	0.053	13%	0.132	C	C	.	.			trans	-156.2	42.8	178.6	-168.4	22.4	0	0	0	111.9	H595 K599 N602 L618 V634	H595-D597 PolarHBondContact O-N 3.08Å; H595-D597 VanDerWaalsContact O-N 3.11Å; D597-K599 PolarHBondContact O-N 2.85Å; D597-K599 IonicContact OD1-NZ 2.66Å; D597-K599 PolarHBondContact OD1-NZ 3.47Å; D597-K599 IonicContact OD2-NZ 3.26Å; D597-K599 PolarHBondContact OD2-NZ 2.76Å; D597-N602 PolarHBondContact O-ND2 2.95Å; D597-N602 PolarHBondContact OD2-ND2 3.07Å; D597-L618 HydrophobicContact CB-CB 4.27Å; D597-L618 HydrophobicContact CB-CD1 3.7Å; D597-L618 VanDerWaalsContact OD2-CD1 3.28Å; D597-L618 WeakPolarHBondContact OD2-CD1 3.36Å; D597-V634 HydrophobicContact CB-CG1 4.28Å; D597-V634 VanDerWaalsContact CG-CG1 3.43Å; D597-V634 WeakPolarHBondContact OD1-CG1 3.24Å
598	L	94.1	Very high	91.7	Very high	1 Å²	1	33 Å²	33	1%	0.005	16%	0.157	C	C	.	.			trans	-72.7	116.2	170.5	-70.7	174	0	0	0	109.2	L581 V585 H595 I613 Y638 D655 V659 I662	L581-L598 HydrophobicContact CD1-CD2 4.48Å; V585-L598 HydrophobicContact CG2-CD1 3.64Å; V585-L598 HydrophobicContact CG2-CD2 4.37Å; H595-L598 HydrophobicContact CB-CD2 4.28Å; H595-L598 HydrophobicContact CB-CG 4.05Å; H595-L598 WeakPolarHBondContact CD2-CD2 3.3Å; L598-I613 HydrophobicContact CD2-CG2 3.88Å; L598-Y638 WeakPolarHBondContact O-CB 3.11Å; L598-D655 HydrophobicContact CD1-CB 3.7Å; L598-V659 HydrophobicContact CD1-CG2 3.96Å; L598-I662 HydrophobicContact CB-CD1 4.02Å
599	K	93.7	Very high	91.6	Very high	22 Å²	22	33.1 Å²	33.1	10%	0.096	16%	0.157	C	C	.	.			trans	-152.5	157.7	177.6	59.7	179.9	-175.8	-63.8	0	109.6	D597 S601 N602 L603 T635 Y638	D597-K599 PolarHBondContact O-N 2.85Å; D597-K599 IonicContact OD1-NZ 2.66Å; D597-K599 PolarHBondContact OD1-NZ 3.47Å; D597-K599 IonicContact OD2-NZ 3.26Å; D597-K599 PolarHBondContact OD2-NZ 2.76Å; K599-S601 WeakPolarHBondContact CD-OG 3.36Å; K599-S601 WeakPolarHBondContact CE-OG 3.31Å; K599-S601 PolarHBondContact O-N 2.9Å; K599-S601 VanDerWaalsContact O-N 3.11Å; K599-N602 VanDerWaalsContact CE-OD1 3.25Å; K599-N602 WeakPolarHBondContact CE-OD1 3.41Å; K599-N602 HydrophobicContact CG-CB 3.99Å; K599-N602 PolarHBondContact NZ-ND2 3.16Å; K599-N602 PolarHBondContact NZ-OD1 3.14Å; K599-N602 WeakPolarHBondContact O-CA 3.5Å; K599-N602 PolarHBondContact O-N 3.47Å; K599-L603 PolarHBondContact O-N 3.28Å; K599-T635 HydrophobicContact CD-CG2 3.83Å; K599-T635 VanDerWaalsContact CD-OG1 3.26Å; K599-T635 WeakPolarHBondContact CD-OG1 3.3Å; K599-T635 VanDerWaalsContact CE-OG1 3.28Å; K599-T635 WeakPolarHBondContact CE-OG1 3.22Å; K599-Y638 HydrophobicContact CB-CD1 4.38Å; K599-Y638 HydrophobicContact CB-CD2 3.51Å; K599-Y638 HydrophobicContact CB-CE1 4.34Å; K599-Y638 HydrophobicContact CB-CE2 3.47Å; K599-Y638 VanDerWaalsContact CB-CE2 3.47Å; K599-Y638 HydrophobicContact CB-CG 4.02Å
600	T	94	Very high	91.6	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.006	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-19.3	-175.7	43.5	0	0	0	0	114.6	L558 K559 M562 Y638 I662 E665	L558-T600 WeakPolarHBondContact CB-O 3.23Å; L558-T600 HydrophobicContact CD2-CG2 4.29Å; L558-T600 PolarHBondContact N-O 3.43Å; K559-T600 PolarHBondContact N-O 3.47Å; M562-T600 HydrophobicContact SD-CG2 4.26Å; T600-Y638 PolarHBondContact OG1-OH 3.22Å; T600-I662 HydrophobicContact CG2-CG1 4.39Å; T600-I662 HydrophobicContact CG2-CG2 4.14Å; T600-E665 HydrophobicContact CG2-CG 4.29Å; T600-E665 WeakPolarHBondContact CG2-OE2 3.42Å; T600-E665 PolarHBondContact OG1-OE2 2.73Å
601	S	90.9	Very high	91.8	Very high	33 Å²	33	31.2 Å²	31.2	23%	0.231	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-23.3	170.3	67.3	0	0	0	0	113.7	K599 L603	K599-S601 WeakPolarHBondContact CD-OG 3.36Å; K599-S601 WeakPolarHBondContact CE-OG 3.31Å; K599-S601 PolarHBondContact O-N 2.9Å; K599-S601 VanDerWaalsContact O-N 3.11Å; S601-L603 VanDerWaalsContact C-N 3.34Å
602	N	93	Very high	92.1	Very high	7 Å²	7	29.6 Å²	29.6	4%	0.037	14%	0.137	C	C	.	.	S	Bend	trans	-91.3	-0	178.6	-71.6	23.9	0	0	0	112.1	D597 K599 G614	D597-N602 PolarHBondContact O-ND2 2.95Å; D597-N602 PolarHBondContact OD2-ND2 3.07Å; K599-N602 VanDerWaalsContact CE-OD1 3.25Å; K599-N602 WeakPolarHBondContact CE-OD1 3.41Å; K599-N602 HydrophobicContact CG-CB 3.99Å; K599-N602 PolarHBondContact NZ-ND2 3.16Å; K599-N602 PolarHBondContact NZ-OD1 3.14Å; K599-N602 WeakPolarHBondContact O-CA 3.5Å; K599-N602 PolarHBondContact O-N 3.47Å; N602-G614 PolarHBondContact O-N 3.38Å
603	L	95.6	Very high	92.3	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	121.1	171.7	-58.8	-174.6	0	0	0	108.7	L558 L581 K599 S601 L611 I613 I662	L558-L603 HydrophobicContact CB-CB 4.16Å; L558-L603 VanDerWaalsContact CB-O 3.23Å; L558-L603 WeakPolarHBondContact CB-O 3.07Å; L558-L603 HydrophobicContact CD2-CB 3.99Å; L558-L603 HydrophobicContact CD2-CD1 4.04Å; L558-L603 PolarHBondContact N-O 3.24Å; L581-L603 HydrophobicContact CD1-CD1 3.95Å; L581-L603 HydrophobicContact CD1-CD2 3.7Å; L581-L603 HydrophobicContact CD2-CD1 4.01Å; K599-L603 PolarHBondContact O-N 3.28Å; S601-L603 VanDerWaalsContact C-N 3.34Å; L603-L611 HydrophobicContact CD1-CD1 4.38Å; L603-I613 HydrophobicContact CD2-CB 4.33Å; L603-I613 HydrophobicContact CD2-CG1 3.86Å; L603-I613 HydrophobicContact CD2-CG2 4.45Å; L603-I662 HydrophobicContact CD1-CD1 4.11Å; L603-I662 HydrophobicContact CD1-CG2 3.94Å
604	L	94.8	Very high	92.3	Very high	42 Å²	42	22.7 Å²	22.7	22%	0.22	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	145.1	178.3	-50.4	-177.1	0	0	0	110	V533 V554 H556 D557 L611 K612	V533-L604 HydrophobicContact CG2-CD1 3.83Å; V554-L604 HydrophobicContact CB-CB 3.8Å; V554-L604 HydrophobicContact CB-CD1 3.96Å; V554-L604 HydrophobicContact CG1-CB 3.6Å; V554-L604 HydrophobicContact CG2-CB 4.3Å; V554-L604 HydrophobicContact CG2-CD1 4.16Å; H556-L604 CarbonylContact O-C 3.34Å; H556-L604 WeakPolarHBondContact O-CA 3.36Å; D557-L604 HydrophobicContact CB-CD2 3.9Å; L604-L611 CarbonylContact O-C 3.58Å; L604-L611 WeakPolarHBondContact O-CA 3.38Å; L604-K612 PolarHBondContact N-O 3.23Å; L604-K612 PolarHBondContact O-N 3.05Å
605	L	94.6	Very high	91.9	Very high	1 Å²	1	25 Å²	25	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	125.6	178.6	-173	63.9	0	0	0	110.2	V554 H556 L561 F569 L577 L611 F770 W773	V554-L605 VanDerWaalsContact CG1-C 3.49Å; H556-L605 PolarHBondContact CD2-O 2.79Å; H556-L605 PolarHBondContact N-O 3.35Å; H556-L605 PolarHBondContact O-N 3.06Å; L561-L605 HydrophobicContact CD2-CD2 3.72Å; F569-L605 HydrophobicContact CE1-CD2 4.38Å; F569-L605 HydrophobicContact CZ-CD2 4.3Å; L577-L605 HydrophobicContact CD2-CD1 3.71Å; L577-L605 HydrophobicContact CD2-CD2 4.27Å; L605-L611 HydrophobicContact CD1-CB 4.2Å; L605-F770 HydrophobicContact CD2-CD1 4.42Å; L605-W773 HydrophobicContact CD2-CZ3 3.98Å
606	S	92.6	Very high	91.1	Very high	19 Å²	19	25.3 Å²	25.3	13%	0.133	13%	0.126	C	C	.	.			trans	-84	163.6	175.9	61.1	0	0	0	0	112.7	E555 K608 G609 I610	E555-S606 WeakPolarHBondContact OE2-CA 3.46Å; E555-S606 VanDerWaalsContact OE2-CB 3.24Å; E555-S606 WeakPolarHBondContact OE2-CB 3.38Å; S606-K608 PolarHBondContact O-N 3.36Å; S606-G609 PolarHBondContact O-N 2.9Å; S606-G609 VanDerWaalsContact O-N 3.15Å; S606-I610 PolarHBondContact N-O 3.12Å; S606-I610 WeakPolarHBondContact OG-CB 3.37Å; S606-I610 PolarHBondContact OG-N 3.09Å; S606-I610 VanDerWaalsContact OG-N 3.17Å; S606-I610 PolarHBondContact OG-O 3.11Å
607	H	87.3	Confident	89.9	Confident	60 Å²	60	25.5 Å²	25.5	28%	0.278	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-6	172.9	-64.9	-22	0	0	0	114	E555 H556 T772 W773	E555-H607 VanDerWaalsContact OE1-CB 3.29Å; E555-H607 WeakPolarHBondContact OE1-CB 3.3Å; E555-H607 IonicContact OE1-CD2 3.93Å; E555-H607 PolarHBondContact OE1-CD2 3.14Å; E555-H607 IonicContact OE1-CG 3.44Å; E555-H607 VanDerWaalsContact OE1-CG 3.26Å; E555-H607 PolarHBondContact OE1-N 2.74Å; E555-H607 IonicContact OE1-ND1 2.66Å; H556-H607 AromaticContact CD2-CE1 3.95Å; H556-H607 AromaticContact CD2-ND1 3.83Å; H607-T772 HydrophobicContact CB-CG2 4.41Å; H607-W773 PolarHBondContact CE1-O 3.02Å
608	K	89	Confident	88.7	Confident	162 Å²	162	26 Å²	26	70%	0.704	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.3	18.9	176.4	-58.5	-176.4	-179.3	-178.4	0	113	S606 I610 P767	S606-K608 PolarHBondContact O-N 3.36Å; K608-I610 HydrophobicContact CB-CG1 4.28Å; K608-I610 PolarHBondContact O-N 2.58Å; K608-P767 CarbonylContact C-O 3.53Å; K608-P767 CarbonylContact O-C 3.41Å; K608-P767 VanDerWaalsContact O-CB 3.31Å; K608-P767 WeakPolarHBondContact O-CB 3.38Å; K608-P767 VanDerWaalsContact O-O 3.12Å
609	G	91.6	Very high	87.3	Confident	1 Å²	1	26.6 Å²	26.6	1%	0.01	14%	0.142	C	C	.	.	S	Bend	trans	65.8	4	-176.4	0	0	0	0	0	115.1	Q580 S606 L611 P767	Q580-G609 PolarHBondContact NE2-O 3.22Å; S606-G609 PolarHBondContact O-N 2.9Å; S606-G609 VanDerWaalsContact O-N 3.15Å; G609-L611 PolarHBondContact O-N 2.97Å; G609-P767 WeakPolarHBondContact CA-O 3.45Å; G609-P767 PolarHBondContact N-O 3.02Å
610	I	95.8	Very high	85.9	Confident	59 Å²	59	29.2 Å²	29.2	30%	0.303	15%	0.151	S	C	.	.			trans	-79.5	117.8	179.2	-50.1	-59.2	0	0	0	109.2	Q580 S606 K608 P767	Q580-I610 VanDerWaalsContact OE1-CA 3.3Å; S606-I610 PolarHBondContact N-O 3.12Å; S606-I610 WeakPolarHBondContact OG-CB 3.37Å; S606-I610 PolarHBondContact OG-N 3.09Å; S606-I610 VanDerWaalsContact OG-N 3.17Å; S606-I610 PolarHBondContact OG-O 3.11Å; K608-I610 HydrophobicContact CB-CG1 4.28Å; K608-I610 PolarHBondContact O-N 2.58Å; I610-P767 HydrophobicContact CD1-CB 3.76Å; I610-P767 HydrophobicContact CD1-CG 4.1Å
611	L	97.1	Very high	84.2	Confident	2 Å²	2	33.5 Å²	33.5	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	137.7	174.6	175.6	151	0	0	0	110	N531 L577 Q580 L581 L603 L604 L605 G609 I613	N531-L611 WeakPolarHBondContact CA-O 3.18Å; N531-L611 PolarHBondContact ND2-O 3.36Å; L577-L611 HydrophobicContact CB-CD1 4.2Å; L577-L611 HydrophobicContact CD2-CB 4.22Å; L577-L611 HydrophobicContact CD2-CD1 3.92Å; Q580-L611 HydrophobicContact CB-CB 4.04Å; Q580-L611 HydrophobicContact CB-CD2 4.33Å; L581-L611 HydrophobicContact CB-CD2 4.22Å; L603-L611 HydrophobicContact CD1-CD1 4.38Å; L604-L611 CarbonylContact O-C 3.58Å; L604-L611 WeakPolarHBondContact O-CA 3.38Å; L605-L611 HydrophobicContact CD1-CB 4.2Å; G609-L611 PolarHBondContact O-N 2.97Å; L611-I613 HydrophobicContact CD2-CG1 4.48Å
612	K	96	Very high	82.7	Confident	31 Å²	31	34 Å²	34	14%	0.135	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	130.1	176.3	-75.1	-177.4	169.2	-63.1	0	112	P530 N531 I532 V533 V554 L604	P530-K612 PolarHBondContact O-NZ 3.45Å; N531-K612 WeakPolarHBondContact O-CA 3.39Å; I532-K612 WeakPolarHBondContact O-CD 3.24Å; I532-K612 PolarHBondContact O-NZ 3.08Å; V533-K612 HydrophobicContact CG2-CB 3.95Å; V554-K612 HydrophobicContact CG2-CD 3.94Å; L604-K612 PolarHBondContact N-O 3.23Å; L604-K612 PolarHBondContact O-N 3.05Å
613	I	95.3	Very high	80.3	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	132.4	172.7	-57.3	171.7	0	0	0	109.7	N531 I532 V533 L581 V585 L588 H595 L598 L603 L611 F616	N531-I613 WeakPolarHBondContact O-CG1 3.33Å; N531-I613 PolarHBondContact O-N 3.08Å; I532-I613 HydrophobicContact CG1-CB 4.48Å; V533-I613 WeakPolarHBondContact CG2-O 3.28Å; V533-I613 PolarHBondContact N-O 3.2Å; L581-I613 HydrophobicContact CD1-CD1 3.98Å; L581-I613 HydrophobicContact CD1-CG1 4.02Å; V585-I613 HydrophobicContact CG2-CD1 3.87Å; L588-I613 HydrophobicContact CD1-CD1 4.49Å; H595-I613 WeakPolarHBondContact CD2-CG2 3.37Å; H595-I613 VanDerWaalsContact NE2-CG2 3.33Å; H595-I613 WeakPolarHBondContact NE2-CG2 3.26Å; L598-I613 HydrophobicContact CD2-CG2 3.88Å; L603-I613 HydrophobicContact CD2-CB 4.33Å; L603-I613 HydrophobicContact CD2-CG1 3.86Å; L603-I613 HydrophobicContact CD2-CG2 4.45Å; L611-I613 HydrophobicContact CD2-CG1 4.48Å; I613-F616 HydrophobicContact CG2-CZ 4.04Å
614	G	88.6	Confident	77.3	Confident	5 Å²	5	41 Å²	41	5%	0.052	22%	0.222	C	C	.	.			trans	-139.7	179.8	-177.9	0	0	0	0	0	114.8	H595 N602	H595-G614 PolarHBondContact NE2-O 3Å; N602-G614 PolarHBondContact O-N 3.38Å
615	D	79.4	Confident	75	Confident	50 Å²	50	43.4 Å²	43.4	27%	0.267	24%	0.241	S	C	.	.			trans	54	73.6	-172.3	-161.9	30.1	0	0	0	116	Y484 K502 H595 G617	Y484-D615 WeakPolarHBondContact CD2-OD2 3.45Å; K502-D615 IonicContact NZ-OD1 2.84Å; K502-D615 PolarHBondContact NZ-OD1 2.76Å; H595-D615 PolarHBondContact CE1-O 2.76Å; D615-G617 PolarHBondContact O-N 2.92Å
616	F	72.8	Confident	73.1	Confident	5 Å²	5	46.9 Å²	46.9	2%	0.022	26%	0.259	C	S	.	.			trans	-79.7	14.3	175.7	-66.9	-91.9	0	0	0	114.1	E520 I524 I532 L588 I613 L618 A619	E520-F616 HydrophobicContact CG-CB 4.43Å; I524-F616 HydrophobicContact CD1-CB 4Å; I524-F616 HydrophobicContact CD1-CD2 4.22Å; I524-F616 HydrophobicContact CD1-CG 4.43Å; I524-F616 HydrophobicContact CG1-CB 3.63Å; I524-F616 HydrophobicContact CG1-CD2 3.71Å; I524-F616 HydrophobicContact CG1-CG 3.75Å; I532-F616 HydrophobicContact CG2-CE2 3.73Å; I532-F616 HydrophobicContact CG2-CZ 3.64Å; L588-F616 HydrophobicContact CD1-CE1 3.75Å; L588-F616 HydrophobicContact CD1-CZ 4.16Å; L588-F616 HydrophobicContact CD2-CE1 3.56Å; L588-F616 HydrophobicContact CD2-CZ 4.15Å; L588-F616 HydrophobicContact CG-CE1 4.31Å; I613-F616 HydrophobicContact CG2-CZ 4.04Å; F616-L618 PolarHBondContact O-N 3.35Å; F616-A619 HydrophobicContact CB-CB 3.94Å; F616-A619 HydrophobicContact CD1-CB 3.75Å; F616-A619 HydrophobicContact CG-CB 4.36Å; F616-A619 WeakPolarHBondContact O-CB 3.43Å; F616-A619 PolarHBondContact O-N 2.9Å
617	G	63.6	Low	71.1	Confident	23 Å²	23	53 Å²	53	24%	0.237	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-8.7	-179.6	0	0	0	0	0	115.3	D615	D615-G617 PolarHBondContact O-N 2.92Å
618	L	62.9	Low	69.2	Low	20 Å²	20	56.3 Å²	56.3	11%	0.105	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.7	-3.7	176.1	-76.3	151.8	0	0	0	114	Y484 R596 D597 F616 V634	Y484-L618 HydrophobicContact CE1-CG 4.4Å; Y484-L618 HydrophobicContact CE2-CD1 3.79Å; Y484-L618 HydrophobicContact CE2-CG 4.07Å; Y484-L618 VanDerWaalsContact OH-CD1 3.28Å; Y484-L618 WeakPolarHBondContact OH-CD1 3.1Å; Y484-L618 WeakPolarHBondContact OH-CD2 3.35Å; Y484-L618 VanDerWaalsContact OH-CG 3.25Å; Y484-L618 WeakPolarHBondContact OH-CG 3.33Å; R596-L618 VanDerWaalsContact CZ-O 3.25Å; R596-L618 PolarHBondContact NE-O 3.11Å; R596-L618 PolarHBondContact NH2-O 3.14Å; D597-L618 HydrophobicContact CB-CB 4.27Å; D597-L618 HydrophobicContact CB-CD1 3.7Å; D597-L618 VanDerWaalsContact OD2-CD1 3.28Å; D597-L618 WeakPolarHBondContact OD2-CD1 3.36Å; F616-L618 PolarHBondContact O-N 3.35Å; L618-V634 HydrophobicContact CD1-CB 4.17Å; L618-V634 HydrophobicContact CD1-CG1 3.62Å; L618-V634 HydrophobicContact CD1-CG2 3.4Å; L618-V634 VanDerWaalsContact CD1-CG2 3.4Å; L618-V634 HydrophobicContact CD2-CG2 3.57Å; L618-V634 HydrophobicContact CG-CG2 4.11Å
619	A	64.1	Low	67.6	Low	15 Å²	15	50.4 Å²	50.4	12%	0.124	27%	0.272	C	S	.	.			trans	-65	151.7	-177.6	0	0	0	0	0	111.1	T523 I593 L594 F616	T523-A619 HydrophobicContact CG2-CB 4.02Å; I593-A619 HydrophobicContact CG2-CB 4.2Å; L594-A619 CarbonylContact O-C 3.32Å; L594-A619 WeakPolarHBondContact O-CA 3.24Å; L594-A619 WeakPolarHBondContact O-CB 3.49Å; F616-A619 HydrophobicContact CB-CB 3.94Å; F616-A619 HydrophobicContact CD1-CB 3.75Å; F616-A619 HydrophobicContact CG-CB 4.36Å; F616-A619 WeakPolarHBondContact O-CB 3.43Å; F616-A619 PolarHBondContact O-N 2.9Å
620	R	65.9	Low	65.8	Low	76 Å²	76	54.2 Å²	54.2	29%	0.287	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	136.6	177.6	-73.6	-170.6	170.1	151.3	-1.6	110.6	L594 Y622 Y629 T630	L594-R620 PolarHBondContact N-O 3.33Å; L594-R620 PolarHBondContact O-N 3.49Å; R620-Y622 PolarHBondContact O-N 3.04Å; R620-Y629 HydrophobicContact CB-CE1 4.39Å; R620-T630 PolarHBondContact NH1-OG1 3.5Å; R620-T630 PolarHBondContact NH2-OG1 3.14Å
621	E	57.1	Low	63.8	Low	91 Å²	91	57 Å²	57	43%	0.425	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	130	158.8	-65.5	173.9	-178.7	0	0	109	K526 W592 Y629	K526-E621 IonicContact NZ-OE1 2.72Å; K526-E621 PolarHBondContact NZ-OE1 3.33Å; K526-E621 IonicContact NZ-OE2 2.75Å; W592-E621 CarbonylContact O-C 3.59Å; W592-E621 VanDerWaalsContact O-CA 3.25Å; W592-E621 WeakPolarHBondContact O-CA 3.44Å; E621-Y629 PolarHBondContact O-OH 2.99Å
622	Y	60.1	Low	61.8	Low	44 Å²	44	57.6 Å²	57.6	17%	0.173	32%	0.321	C	S	.	.			trans	-103.9	161.6	165	75.6	-85.9	0	0	0	109.7	H589 W592 L594 R620 Y629 T652	H589-Y622 PolarHBondContact O-OH 3.17Å; H589-Y622 VanDerWaalsContact O-OH 3.08Å; W592-Y622 VanDerWaalsContact CA-CE1 3.48Å; W592-Y622 HydrophobicContact CB-CE1 4.4Å; W592-Y622 HydrophobicContact CD2-CE2 4.45Å; W592-Y622 AromaticContact CE3-CD2 3.86Å; W592-Y622 HydrophobicContact CE3-CD2 3.86Å; W592-Y622 AromaticContact CE3-CE2 3.42Å; W592-Y622 HydrophobicContact CE3-CE2 3.42Å; W592-Y622 VanDerWaalsContact CE3-CE2 3.42Å; W592-Y622 AromaticContact CE3-CZ 3.86Å; W592-Y622 HydrophobicContact CZ3-CD2 4.31Å; W592-Y622 AromaticContact CZ3-CE2 3.72Å; W592-Y622 HydrophobicContact CZ3-CE2 3.72Å; W592-Y622 WeakPolarHBondContact O-CD1 3.32Å; W592-Y622 PolarHBondContact O-N 3.24Å; L594-Y622 HydrophobicContact CD1-CD1 4.45Å; L594-Y622 HydrophobicContact CD2-CD1 3.49Å; L594-Y622 VanDerWaalsContact CD2-CD1 3.49Å; L594-Y622 HydrophobicContact CD2-CE1 3.74Å; L594-Y622 HydrophobicContact CD2-CG 4.2Å; L594-Y622 HydrophobicContact CG-CD1 3.58Å; L594-Y622 HydrophobicContact CG-CE1 4.33Å; L594-Y622 HydrophobicContact CG-CG 4.11Å; R620-Y622 PolarHBondContact O-N 3.04Å; Y622-Y629 VanDerWaalsContact CA-OH 3.32Å; Y622-Y629 WeakPolarHBondContact CA-OH 3.27Å; Y622-Y629 WeakPolarHBondContact CB-OH 3.49Å; Y622-T652 HydrophobicContact CE1-CG2 3.88Å; Y622-T652 WeakPolarHBondContact OH-CG2 3.28Å
623	G	42	Very low	59.8	Low	31 Å²	31	62.7 Å²	62.7	32%	0.32	36%	0.355	S	S	.	.			trans	-172.9	171.5	-179	0	0	0	0	0	110.4	P625 L626	G623-P625 CarbonylContact O-C 3.42Å; G623-P625 VanDerWaalsContact O-O 3.11Å; G623-L626 PolarHBondContact O-N 3.44Å
624	S	33	Very low	58.1	Low	123 Å²	123	63.9 Å²	63.9	86%	0.86	36%	0.362	S	S	*	.	S	Bend	trans	-84.6	136.1	173.5	-165.4	0	0	0	0	110.6
625	P	47	Very low	57.4	Low	93 Å²	93	66.2 Å²	66.2	60%	0.604	38%	0.375	S	S	*	.	S	Bend	cis	-74.7	153.8	-13.5	32.5	-35.4	0	0	0	111.9	G623 K627	G623-P625 CarbonylContact O-C 3.42Å; G623-P625 VanDerWaalsContact O-O 3.11Å; P625-K627 PolarHBondContact O-N 3.26Å
626	L	53.6	Low	57.9	Low	75 Å²	75	65.1 Å²	65.1	39%	0.393	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-58.7	121.7	175.2	-69.4	173.5	0	0	0	110.6	G623 E649	G623-L626 PolarHBondContact O-N 3.44Å; L626-E649 HydrophobicContact CB-CG 4.23Å; L626-E649 HydrophobicContact CD1-CB 4.5Å
627	K	51.1	Low	59	Low	146 Å²	146	69.2 Å²	69.2	64%	0.635	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-94.3	139	-177.2	-71.5	167.7	-173	167.4	0	110.6	P625 Y629	P625-K627 PolarHBondContact O-N 3.26Å; K627-Y629 VanDerWaalsContact O-CD2 3.32Å; K627-Y629 WeakPolarHBondContact O-CD2 3.33Å; K627-Y629 PolarHBondContact O-N 3.37Å
628	Q	47.5	Very low	60.5	Low	131 Å²	131	68.8 Å²	68.8	61%	0.612	38%	0.376	S	S	*	.			trans	-59	109.2	176.1	-64.6	-176.6	14.3	0	0	110.3	K648	Q628-K648 HydrophobicContact CG-CB 4.25Å; Q628-K648 HydrophobicContact CG-CD 4.5Å
629	Y	55.7	Low	61.9	Low	37 Å²	37	69.1 Å²	69.1	15%	0.145	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-87.8	142.1	-176.5	-69.1	-62.1	0	0	0	111.7	R620 E621 Y622 K627 Y650	R620-Y629 HydrophobicContact CB-CE1 4.39Å; E621-Y629 PolarHBondContact O-OH 2.99Å; Y622-Y629 VanDerWaalsContact CA-OH 3.32Å; Y622-Y629 WeakPolarHBondContact CA-OH 3.27Å; Y622-Y629 WeakPolarHBondContact CB-OH 3.49Å; K627-Y629 VanDerWaalsContact O-CD2 3.32Å; K627-Y629 WeakPolarHBondContact O-CD2 3.33Å; K627-Y629 PolarHBondContact O-N 3.37Å; Y629-Y650 WeakPolarHBondContact CB-OH 3.32Å; Y629-Y650 HydrophobicContact CD2-CD1 4.44Å; Y629-Y650 HydrophobicContact CD2-CD2 4.3Å; Y629-Y650 AromaticContact CD2-CE1 3.92Å; Y629-Y650 HydrophobicContact CD2-CE1 3.92Å; Y629-Y650 AromaticContact CD2-CE2 3.75Å; Y629-Y650 HydrophobicContact CD2-CE2 3.75Å; Y629-Y650 AromaticContact CD2-CZ 3.57Å; Y629-Y650 HydrophobicContact CE2-CE2 4.34Å; Y629-Y650 HydrophobicContact CG-CE1 4.35Å; Y629-Y650 HydrophobicContact CG-CE2 4.45Å; Y629-Y650 AromaticContact CG-CZ 3.94Å
630	T	53.8	Low	63.4	Low	82 Å²	82	68.5 Å²	68.5	50%	0.503	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-51.8	135.4	170.3	56.6	0	0	0	0	111.6	R620	R620-T630 PolarHBondContact NH1-OG1 3.5Å; R620-T630 PolarHBondContact NH2-OG1 3.14Å
631	P	52.6	Low	64.8	Low	116 Å²	116	65 Å²	65	75%	0.753	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-57.8	142.6	177.7	24	-33.7	0	0	0	111.2	V633	P631-V633 PolarHBondContact O-N 2.94Å
632	V	55.1	Low	66.6	Low	16 Å²	16	60.9 Å²	60.9	10%	0.097	34%	0.338	C	S	.	.			trans	-93.6	96.1	-164	179.2	0	0	0	0	109.9	R596 V634 R639	R596-V632 VanDerWaalsContact NH1-CG2 3.28Å; V632-V634 HydrophobicContact CG1-CB 3.81Å; V632-V634 HydrophobicContact CG1-CG2 3.36Å; V632-V634 PolarHBondContact O-N 3.05Å; V632-R639 VanDerWaalsContact O-CZ 3.32Å; V632-R639 PolarHBondContact O-NH2 3.05Å; V632-R639 VanDerWaalsContact O-NH2 3.08Å
633	V	54	Low	68.1	Low	138 Å²	138	60.4 Å²	60.4	84%	0.836	34%	0.339	S	S	*	.			trans	-77.8	67.6	-179.5	-170	0	0	0	0	110.6	P631	P631-V633 PolarHBondContact O-N 2.94Å
634	V	60.7	Low	70.4	Confident	24 Å²	24	59.5 Å²	59.5	15%	0.145	33%	0.326	C	S	.	.	S	Bend	trans	-145.2	165.3	-169.5	-163.3	0	0	0	0	110.9	D597 L618 V632 L636 R639	D597-V634 HydrophobicContact CB-CG1 4.28Å; D597-V634 VanDerWaalsContact CG-CG1 3.43Å; D597-V634 WeakPolarHBondContact OD1-CG1 3.24Å; L618-V634 HydrophobicContact CD1-CB 4.17Å; L618-V634 HydrophobicContact CD1-CG1 3.62Å; L618-V634 HydrophobicContact CD1-CG2 3.4Å; L618-V634 VanDerWaalsContact CD1-CG2 3.4Å; L618-V634 HydrophobicContact CD2-CG2 3.57Å; L618-V634 HydrophobicContact CG-CG2 4.11Å; V632-V634 HydrophobicContact CG1-CB 3.81Å; V632-V634 HydrophobicContact CG1-CG2 3.36Å; V632-V634 PolarHBondContact O-N 3.05Å; V634-L636 PolarHBondContact O-N 3Å; V634-L636 VanDerWaalsContact O-N 3.16Å; V634-R639 PolarHBondContact O-NH2 3.32Å
635	T	74.3	Confident	73.3	Confident	55 Å²	55	53.7 Å²	53.7	34%	0.337	29%	0.286	S	S	.	.			trans	-26.1	107.7	178.9	-44.9	0	0	0	0	113.9	K599 W637 Y638	K599-T635 HydrophobicContact CD-CG2 3.83Å; K599-T635 VanDerWaalsContact CD-OG1 3.26Å; K599-T635 WeakPolarHBondContact CD-OG1 3.3Å; K599-T635 VanDerWaalsContact CE-OG1 3.28Å; K599-T635 WeakPolarHBondContact CE-OG1 3.22Å; T635-W637 VanDerWaalsContact C-N 3.34Å; T635-W637 PolarHBondContact O-N 2.71Å; T635-Y638 HydrophobicContact CG2-CD2 3.81Å; T635-Y638 HydrophobicContact CG2-CE2 3.82Å
636	L	89.1	Confident	75.2	Confident	26 Å²	26	50.9 Å²	50.9	14%	0.136	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-68.4	-30.1	-168	-177.4	60.9	0	0	0	114	V634 Y638 R639 L644 S677 E678 Q681	V634-L636 PolarHBondContact O-N 3Å; V634-L636 VanDerWaalsContact O-N 3.16Å; L636-Y638 VanDerWaalsContact C-N 3.32Å; L636-Y638 PolarHBondContact O-N 2.87Å; L636-R639 WeakPolarHBondContact O-CB 3.23Å; L636-R639 PolarHBondContact O-N 2.84Å; L636-L644 HydrophobicContact CD1-CD2 3.65Å; L636-S677 VanDerWaalsContact CD2-C 3.48Å; L636-S677 WeakPolarHBondContact CD2-O 3.3Å; L636-E678 HydrophobicContact CD1-CG 3.84Å; L636-Q681 HydrophobicContact CD1-CB 3.93Å; L636-Q681 HydrophobicContact CD1-CG 3.96Å; L636-Q681 HydrophobicContact CD2-CB 4.06Å; L636-Q681 HydrophobicContact CG-CB 3.84Å; L636-Q681 HydrophobicContact CG-CG 3.89Å; L636-Q681 VanDerWaalsContact O-CD 3.26Å; L636-Q681 PolarHBondContact O-NE2 2.95Å
637	W	95.2	Very high	76.8	Confident	92 Å²	92	48.4 Å²	48.4	35%	0.348	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-69.4	-23.2	-164.6	-59.1	-14.3	0	0	0	115.5	T635 P671 F673 P674 G675 Q681	T635-W637 VanDerWaalsContact C-N 3.34Å; T635-W637 PolarHBondContact O-N 2.71Å; W637-P671 HydrophobicContact CD2-CB 4.3Å; W637-P671 HydrophobicContact CE3-CB 3.65Å; W637-P671 HydrophobicContact CE3-CG 3.6Å; W637-P671 HydrophobicContact CH2-CG 4.47Å; W637-P671 HydrophobicContact CZ3-CB 4.11Å; W637-P671 HydrophobicContact CZ3-CG 3.53Å; W637-F673 WeakPolarHBondContact CA-O 3.37Å; W637-F673 WeakPolarHBondContact CB-O 3.33Å; W637-P674 HydrophobicContact CD2-CB 4.37Å; W637-P674 HydrophobicContact CZ2-CB 4.38Å; W637-G675 VanDerWaalsContact CD1-N 3.3Å; W637-G675 PolarHBondContact NE1-O 3.2Å; W637-Q681 PolarHBondContact O-NE2 2.88Å; W637-Q681 VanDerWaalsContact O-NE2 3.16Å
638	Y	95.3	Very high	78.1	Confident	14 Å²	14	47.3 Å²	47.3	6%	0.055	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-105.5	0.8	-179.1	-48.3	-92.1	0	0	0	111.7	L598 K599 T600 T635 L636 W657 S658 C661 I662 E665	L598-Y638 WeakPolarHBondContact O-CB 3.11Å; K599-Y638 HydrophobicContact CB-CD1 4.38Å; K599-Y638 HydrophobicContact CB-CD2 3.51Å; K599-Y638 HydrophobicContact CB-CE1 4.34Å; K599-Y638 HydrophobicContact CB-CE2 3.47Å; K599-Y638 VanDerWaalsContact CB-CE2 3.47Å; K599-Y638 HydrophobicContact CB-CG 4.02Å; T600-Y638 PolarHBondContact OG1-OH 3.22Å; T635-Y638 HydrophobicContact CG2-CD2 3.81Å; T635-Y638 HydrophobicContact CG2-CE2 3.82Å; L636-Y638 VanDerWaalsContact C-N 3.32Å; L636-Y638 PolarHBondContact O-N 2.87Å; Y638-W657 VanDerWaalsContact O-CD1 3.31Å; Y638-S658 PolarHBondContact O-OG 3.02Å; Y638-S658 VanDerWaalsContact O-OG 3.12Å; Y638-C661 HydrophobicContact CD1-CB 3.74Å; Y638-C661 HydrophobicContact CG-CB 4.49Å; Y638-I662 HydrophobicContact CD1-CG1 4.03Å; Y638-I662 HydrophobicContact CE1-CG1 4.08Å; Y638-E665 PolarHBondContact OH-OE2 3.13Å
639	R	93.9	Very high	79.7	Confident	27 Å²	27	46.4 Å²	46.4	10%	0.102	26%	0.255	C	S	.	.			trans	-74.5	137.1	-175.3	-158.8	-173.3	-58	171.8	6.7	111.2	V632 V634 L636 L643 L644 W657 E678	V632-R639 VanDerWaalsContact O-CZ 3.32Å; V632-R639 PolarHBondContact O-NH2 3.05Å; V632-R639 VanDerWaalsContact O-NH2 3.08Å; V634-R639 PolarHBondContact O-NH2 3.32Å; L636-R639 WeakPolarHBondContact O-CB 3.23Å; L636-R639 PolarHBondContact O-N 2.84Å; R639-L643 HydrophobicContact CG-CB 3.74Å; R639-L643 HydrophobicContact CG-CD1 3.92Å; R639-L644 HydrophobicContact CB-CD2 4.35Å; R639-L644 HydrophobicContact CB-CG 4.32Å; R639-L644 HydrophobicContact CG-CD2 4.45Å; R639-L644 HydrophobicContact CG-CG 4.29Å; R639-L644 WeakPolarHBondContact O-CD1 3.38Å; R639-W657 PolarHBondContact O-NE1 2.92Å; R639-E678 IonicContact CZ-OE1 3.93Å; R639-E678 IonicContact NH1-OE1 2.66Å; R639-E678 PolarHBondContact NH1-OE1 3Å; R639-E678 IonicContact NH2-OE1 2.64Å
640	S	94.9	Very high	81.1	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.007	25%	0.251	C	S	.	.			trans	-77.7	157.9	-176.9	62.9	0	0	0	0	114.2	E642 L643 L644 W657	S640-E642 VanDerWaalsContact C-N 3.34Å; S640-E642 WeakPolarHBondContact CB-OE1 3.34Å; S640-E642 PolarHBondContact O-N 2.79Å; S640-E642 PolarHBondContact OG-OE1 3.27Å; S640-L643 PolarHBondContact O-N 2.7Å; S640-L644 WeakPolarHBondContact O-CG 3.36Å; S640-L644 PolarHBondContact O-N 2.83Å; S640-L644 VanDerWaalsContact O-N 3.08Å; S640-W657 VanDerWaalsContact CA-CD1 3.45Å
641	P	95.1	Very high	82.8	Confident	3 Å²	3	43.4 Å²	43.4	2%	0.019	24%	0.24	C	C	.	.	H	α-helix	trans	-58.7	-41.1	-176.6	-25.9	36.3	0	0	0	113.1	L643 L644 L645 W657 W697 Y741	P641-L643 VanDerWaalsContact C-N 3.34Å; P641-L643 PolarHBondContact O-N 3.21Å; P641-L644 PolarHBondContact O-N 3.05Å; P641-L644 VanDerWaalsContact O-N 3.16Å; P641-L645 HydrophobicContact CB-CD1 4.43Å; P641-L645 VanDerWaalsContact O-CB 3.3Å; P641-L645 WeakPolarHBondContact O-CB 3.31Å; P641-L645 VanDerWaalsContact O-CG 3.23Å; P641-L645 WeakPolarHBondContact O-CG 3.37Å; P641-L645 PolarHBondContact O-N 3.25Å; P641-W657 HydrophobicContact CG-CD2 4.44Å; P641-W657 HydrophobicContact CG-CE3 4.11Å; P641-W657 HydrophobicContact CG-CH2 3.39Å; P641-W657 HydrophobicContact CG-CZ2 3.8Å; P641-W657 HydrophobicContact CG-CZ3 3.56Å; P641-W697 HydrophobicContact CB-CH2 4.14Å; P641-W697 HydrophobicContact CB-CZ3 3.85Å; P641-Y741 HydrophobicContact CB-CD1 3.94Å; P641-Y741 HydrophobicContact CB-CE1 4.18Å; P641-Y741 HydrophobicContact CG-CD1 3.72Å; P641-Y741 HydrophobicContact CG-CE1 3.88Å
642	E	93.8	Very high	84.7	Confident	5 Å²	5	39.6 Å²	39.6	2%	0.023	22%	0.215	C	C	.	.	H	α-helix	trans	-62.9	-38.1	179.3	65.4	-76.8	177	0	0	112.6	S640 G646 A647 W697 P743 R746	S640-E642 VanDerWaalsContact C-N 3.34Å; S640-E642 WeakPolarHBondContact CB-OE1 3.34Å; S640-E642 PolarHBondContact O-N 2.79Å; S640-E642 PolarHBondContact OG-OE1 3.27Å; E642-G646 PolarHBondContact O-N 2.89Å; E642-A647 HydrophobicContact CB-CB 3.91Å; E642-A647 VanDerWaalsContact O-CB 3.24Å; E642-A647 WeakPolarHBondContact O-CB 3.38Å; E642-A647 PolarHBondContact O-N 3.44Å; E642-W697 HydrophobicContact CB-CH2 3.85Å; E642-W697 HydrophobicContact CB-CZ2 3.84Å; E642-P743 HydrophobicContact CB-CG 3.98Å; E642-P743 HydrophobicContact CG-CG 3.79Å; E642-R746 IonicContact OE1-CZ 3.87Å; E642-R746 IonicContact OE1-NH1 3.48Å; E642-R746 PolarHBondContact OE1-NH1 3.11Å; E642-R746 IonicContact OE1-NH2 3.96Å; E642-R746 IonicContact OE2-CZ 2.69Å; E642-R746 IonicContact OE2-NH1 3.26Å; E642-R746 PolarHBondContact OE2-NH1 3.5Å; E642-R746 IonicContact OE2-NH2 3.18Å; E642-R746 PolarHBondContact OE2-NH2 2.91Å
643	L	91.5	Very high	86.7	Confident	34 Å²	34	39.1 Å²	39.1	18%	0.178	21%	0.213	C	C	.	.	H	α-helix	trans	-70.8	-33.8	174.4	-69.8	178.5	0	0	0	112.5	R639 S640 P641 Y650 V654	R639-L643 HydrophobicContact CG-CB 3.74Å; R639-L643 HydrophobicContact CG-CD1 3.92Å; S640-L643 PolarHBondContact O-N 2.7Å; P641-L643 VanDerWaalsContact C-N 3.34Å; P641-L643 PolarHBondContact O-N 3.21Å; L643-Y650 HydrophobicContact CD2-CD1 3.39Å; L643-Y650 HydrophobicContact CD2-CD2 4.18Å; L643-Y650 HydrophobicContact CD2-CE1 3.42Å; L643-Y650 VanDerWaalsContact CD2-CE1 3.42Å; L643-Y650 HydrophobicContact CD2-CE2 4.22Å; L643-Y650 HydrophobicContact CD2-CG 3.77Å; L643-V654 HydrophobicContact CD1-CB 3.93Å; L643-V654 HydrophobicContact CD1-CG1 3.86Å; L643-V654 HydrophobicContact CD2-CG1 4.35Å; L643-V654 HydrophobicContact CG-CG1 3.97Å
644	L	92.3	Very high	88.6	Confident	12 Å²	12	32.7 Å²	32.7	6%	0.063	17%	0.174	C	C	.	.	H	α-helix	trans	-74.7	-33.5	177.1	-68.9	164.2	0	0	0	112.5	L636 R639 S640 P641 G646 E678 Q681 I682 I685	L636-L644 HydrophobicContact CD1-CD2 3.65Å; R639-L644 HydrophobicContact CB-CD2 4.35Å; R639-L644 HydrophobicContact CB-CG 4.32Å; R639-L644 HydrophobicContact CG-CD2 4.45Å; R639-L644 HydrophobicContact CG-CG 4.29Å; R639-L644 WeakPolarHBondContact O-CD1 3.38Å; S640-L644 WeakPolarHBondContact O-CG 3.36Å; S640-L644 PolarHBondContact O-N 2.83Å; S640-L644 VanDerWaalsContact O-N 3.08Å; P641-L644 PolarHBondContact O-N 3.05Å; P641-L644 VanDerWaalsContact O-N 3.16Å; L644-G646 VanDerWaalsContact C-N 3.32Å; L644-E678 HydrophobicContact CD2-CB 4.1Å; L644-E678 HydrophobicContact CD2-CG 4.12Å; L644-Q681 HydrophobicContact CD1-CB 4.32Å; L644-Q681 HydrophobicContact CD1-CG 3.6Å; L644-Q681 HydrophobicContact CD2-CB 4.24Å; L644-Q681 HydrophobicContact CD2-CG 4.03Å; L644-Q681 HydrophobicContact CG-CG 4.5Å; L644-I682 HydrophobicContact CB-CD1 3.92Å; L644-I682 HydrophobicContact CB-CG1 3.77Å; L644-I682 HydrophobicContact CD1-CG1 4.17Å; L644-I682 HydrophobicContact CG-CG1 4.48Å; L644-I685 HydrophobicContact CD1-CD1 3.63Å
645	L	92.1	Very high	90.3	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-0.5	179.8	-64.4	167.3	0	0	0	113.3	P641 I682 W697 Y700 L703 A705 V706 F711	P641-L645 HydrophobicContact CB-CD1 4.43Å; P641-L645 VanDerWaalsContact O-CB 3.3Å; P641-L645 WeakPolarHBondContact O-CB 3.31Å; P641-L645 VanDerWaalsContact O-CG 3.23Å; P641-L645 WeakPolarHBondContact O-CG 3.37Å; P641-L645 PolarHBondContact O-N 3.25Å; L645-I682 HydrophobicContact CD2-CD1 3.71Å; L645-I682 HydrophobicContact CG-CD1 4.28Å; L645-W697 HydrophobicContact CD1-CH2 3.89Å; L645-W697 HydrophobicContact CD1-CZ3 3.7Å; L645-Y700 HydrophobicContact CD1-CD2 4.18Å; L645-Y700 HydrophobicContact CD1-CE2 3.76Å; L645-L703 HydrophobicContact CB-CB 4.21Å; L645-L703 HydrophobicContact CB-CD1 3.91Å; L645-L703 HydrophobicContact CD1-CD1 3.74Å; L645-L703 HydrophobicContact CG-CD1 4.47Å; L645-A705 HydrophobicContact CB-CB 4.27Å; L645-A705 HydrophobicContact CD2-CB 3.97Å; L645-A705 VanDerWaalsContact O-CB 3.28Å; L645-A705 WeakPolarHBondContact O-CB 3.24Å; L645-A705 PolarHBondContact O-N 3.47Å; L645-V706 HydrophobicContact CD1-CG2 4.43Å; L645-V706 HydrophobicContact CD2-CG2 3.91Å; L645-F711 HydrophobicContact CD2-CE2 3.95Å; L645-F711 HydrophobicContact CD2-CZ 3.81Å
646	G	88.3	Confident	91.5	Very high	33 Å²	33	29 Å²	29	34%	0.34	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	26.5	170.2	0	0	0	0	0	115.5	E642 L644 K648 P704	E642-G646 PolarHBondContact O-N 2.89Å; L644-G646 VanDerWaalsContact C-N 3.32Å; G646-K648 PolarHBondContact O-N 2.8Å; G646-P704 WeakPolarHBondContact O-CG 3.49Å
647	A	87	Confident	91.9	Very high	24 Å²	24	27.8 Å²	27.8	20%	0.198	15%	0.145	C	C	.	.			trans	-57.7	131.5	168.8	0	0	0	0	0	110.3	E642 L703	E642-A647 HydrophobicContact CB-CB 3.91Å; E642-A647 VanDerWaalsContact O-CB 3.24Å; E642-A647 WeakPolarHBondContact O-CB 3.38Å; E642-A647 PolarHBondContact O-N 3.44Å; A647-L703 HydrophobicContact CB-CD2 4.21Å
648	K	77.9	Confident	92	Very high	123 Å²	123	23.9 Å²	23.9	54%	0.535	13%	0.131	S	C	.	.	S	Bend	trans	-83.4	-28.8	-176.8	-63.5	-175.9	-179.7	-179.8	0	113.4	Q628 G646	Q628-K648 HydrophobicContact CG-CB 4.25Å; Q628-K648 HydrophobicContact CG-CD 4.5Å; G646-K648 PolarHBondContact O-N 2.8Å
649	E	81.1	Confident	92.2	Very high	112 Å²	112	23.2 Å²	23.2	52%	0.523	13%	0.129	S	C	.	.			trans	-114.4	135.3	-178.6	-74.8	145.2	-133.9	0	0	108.1	L626	L626-E649 HydrophobicContact CB-CG 4.23Å; L626-E649 HydrophobicContact CD1-CB 4.5Å
650	Y	84.7	Confident	92.4	Very high	15 Å²	15	21.9 Å²	21.9	6%	0.059	12%	0.124	C	C	.	.			trans	-160.1	157.6	-179	57.9	-98.8	0	0	0	110.1	L594 R596 Y629 L643 V654	L594-Y650 HydrophobicContact CD1-CD2 4.23Å; L594-Y650 HydrophobicContact CD1-CE2 4.29Å; R596-Y650 PolarHBondContact NH1-OH 2.63Å; Y629-Y650 WeakPolarHBondContact CB-OH 3.32Å; Y629-Y650 HydrophobicContact CD2-CD1 4.44Å; Y629-Y650 HydrophobicContact CD2-CD2 4.3Å; Y629-Y650 AromaticContact CD2-CE1 3.92Å; Y629-Y650 HydrophobicContact CD2-CE1 3.92Å; Y629-Y650 AromaticContact CD2-CE2 3.75Å; Y629-Y650 HydrophobicContact CD2-CE2 3.75Å; Y629-Y650 AromaticContact CD2-CZ 3.57Å; Y629-Y650 HydrophobicContact CE2-CE2 4.34Å; Y629-Y650 HydrophobicContact CG-CE1 4.35Å; Y629-Y650 HydrophobicContact CG-CE2 4.45Å; Y629-Y650 AromaticContact CG-CZ 3.94Å; L643-Y650 HydrophobicContact CD2-CD1 3.39Å; L643-Y650 HydrophobicContact CD2-CD2 4.18Å; L643-Y650 HydrophobicContact CD2-CE1 3.42Å; L643-Y650 VanDerWaalsContact CD2-CE1 3.42Å; L643-Y650 HydrophobicContact CD2-CE2 4.22Å; L643-Y650 HydrophobicContact CD2-CG 3.77Å; Y650-V654 HydrophobicContact CD2-CG1 3.74Å; Y650-V654 HydrophobicContact CD2-CG2 4.26Å; Y650-V654 HydrophobicContact CG-CG1 3.98Å
651	S	89.1	Confident	92.6	Very high	41 Å²	41	21.9 Å²	21.9	29%	0.287	12%	0.123	S	C	.	.			trans	-132.9	-160.9	-171.1	64.1	0	0	0	0	111.2	A653 V654	S651-A653 PolarHBondContact O-N 3.23Å; S651-V654 WeakPolarHBondContact O-CG2 3.38Å; S651-V654 PolarHBondContact O-N 2.86Å
652	T	94.3	Very high	92.7	Very high	35 Å²	35	21.7 Å²	21.7	22%	0.215	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45	-31.6	174.9	51.7	0	0	0	0	114.6	H589 L594 Y622 V654 D655 M656	H589-T652 HydrophobicContact CB-CG2 3.76Å; H589-T652 PolarHBondContact CE1-O 3.03Å; H589-T652 VanDerWaalsContact CG-CG2 3.43Å; H589-T652 WeakPolarHBondContact ND1-CB 3.39Å; L594-T652 HydrophobicContact CD2-CG2 3.92Å; Y622-T652 HydrophobicContact CE1-CG2 3.88Å; Y622-T652 WeakPolarHBondContact OH-CG2 3.28Å; T652-V654 PolarHBondContact O-N 2.85Å; T652-V654 VanDerWaalsContact O-N 3.09Å; T652-D655 PolarHBondContact O-N 3.41Å; T652-D655 VanDerWaalsContact O-N 3.07Å; T652-M656 PolarHBondContact O-N 2.83Å
653	A	95.8	Very high	92.9	Very high	6 Å²	6	21.5 Å²	21.5	5%	0.05	12%	0.121	C	C	.	.	H	α-helix	trans	-56.1	-26.3	179.8	0	0	0	0	0	114.7	S651 D655 M656 W657 P743 R746	S651-A653 PolarHBondContact O-N 3.23Å; A653-D655 VanDerWaalsContact C-N 3.34Å; A653-M656 PolarHBondContact O-N 3.11Å; A653-W657 PolarHBondContact O-N 3.27Å; A653-W657 VanDerWaalsContact O-N 3.13Å; A653-P743 HydrophobicContact CB-CB 3.96Å; A653-P743 WeakPolarHBondContact CB-O 3.42Å; A653-R746 WeakPolarHBondContact O-CD 3.32Å; A653-R746 PolarHBondContact O-NH1 3.16Å
654	V	94.9	Very high	93.2	Very high	3 Å²	3	19.9 Å²	19.9	2%	0.018	11%	0.113	C	C	.	.	H	α-helix	trans	-67.4	-35.6	177.9	-52.8	0	0	0	0	112.2	L643 Y650 S651 T652 S658	L643-V654 HydrophobicContact CD1-CB 3.93Å; L643-V654 HydrophobicContact CD1-CG1 3.86Å; L643-V654 HydrophobicContact CD2-CG1 4.35Å; L643-V654 HydrophobicContact CG-CG1 3.97Å; Y650-V654 HydrophobicContact CD2-CG1 3.74Å; Y650-V654 HydrophobicContact CD2-CG2 4.26Å; Y650-V654 HydrophobicContact CG-CG1 3.98Å; S651-V654 WeakPolarHBondContact O-CG2 3.38Å; S651-V654 PolarHBondContact O-N 2.86Å; T652-V654 PolarHBondContact O-N 2.85Å; T652-V654 VanDerWaalsContact O-N 3.09Å; V654-S658 PolarHBondContact O-N 3.21Å; V654-S658 PolarHBondContact O-OG 3.28Å
655	D	96.4	Very high	93.4	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	11%	0.11	C	C	.	.	H	α-helix	trans	-72.9	-38.8	176.3	-70.9	-26.8	0	0	0	109.7	V585 H589 H595 R596 L598 T652 A653 W657 S658 V659	V585-D655 HydrophobicContact CG1-CB 4.41Å; H589-D655 IonicContact CD2-OD2 3.09Å; H589-D655 IonicContact CE1-OD2 2.62Å; H589-D655 IonicContact NE2-OD2 3.9Å; H589-D655 PolarHBondContact NE2-OD2 2.67Å; H595-D655 PolarHBondContact N-OD2 2.89Å; R596-D655 WeakPolarHBondContact CA-OD1 3.48Å; R596-D655 PolarHBondContact N-OD1 2.99Å; L598-D655 HydrophobicContact CD1-CB 3.7Å; T652-D655 PolarHBondContact O-N 3.41Å; T652-D655 VanDerWaalsContact O-N 3.07Å; A653-D655 VanDerWaalsContact C-N 3.34Å; D655-W657 VanDerWaalsContact C-N 3.35Å; D655-W657 PolarHBondContact O-N 3.23Å; D655-S658 CarbonylContact O-C 3.51Å; D655-S658 WeakPolarHBondContact O-CA 3.42Å; D655-S658 VanDerWaalsContact O-CB 3.26Å; D655-S658 WeakPolarHBondContact O-CB 3.37Å; D655-S658 PolarHBondContact O-N 2.85Å; D655-V659 WeakPolarHBondContact O-CG2 3.39Å; D655-V659 PolarHBondContact O-N 3.4Å
656	M	98.4	Very high	93.7	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.01	11%	0.11	C	C	.	.	H	α-helix	trans	-64	-35.6	178.8	-59	-49.2	-57.1	0	0	113.4	L582 V585 T652 A653 S658 V659 G660 F738 R746 I747 A749 A752	L582-M656 HydrophobicContact CD2-CE 3.82Å; V585-M656 HydrophobicContact CG1-SD 3.85Å; T652-M656 PolarHBondContact O-N 2.83Å; A653-M656 PolarHBondContact O-N 3.11Å; M656-S658 VanDerWaalsContact C-N 3.34Å; M656-V659 WeakPolarHBondContact O-CB 3.44Å; M656-V659 PolarHBondContact O-N 3.02Å; M656-G660 PolarHBondContact O-N 2.74Å; M656-G660 VanDerWaalsContact O-N 3.09Å; M656-F738 HydrophobicContact CE-CD1 3.98Å; M656-F738 HydrophobicContact CE-CE1 3.61Å; M656-R746 HydrophobicContact CB-CG 4.5Å; M656-I747 WeakPolarHBondContact CG-O 3.49Å; M656-A749 HydrophobicContact CE-CB 4.12Å; M656-A749 HydrophobicContact SD-CB 3.82Å; M656-A752 HydrophobicContact CE-CB 4.44Å
657	W	98.2	Very high	94	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-63.7	-41.4	169.7	175.5	-82.5	0	0	0	112	Y638 R639 S640 P641 A653 D655 V659 G660 C661 F673 I685 L689 L739	Y638-W657 VanDerWaalsContact O-CD1 3.31Å; R639-W657 PolarHBondContact O-NE1 2.92Å; S640-W657 VanDerWaalsContact CA-CD1 3.45Å; P641-W657 HydrophobicContact CG-CD2 4.44Å; P641-W657 HydrophobicContact CG-CE3 4.11Å; P641-W657 HydrophobicContact CG-CH2 3.39Å; P641-W657 HydrophobicContact CG-CZ2 3.8Å; P641-W657 HydrophobicContact CG-CZ3 3.56Å; A653-W657 PolarHBondContact O-N 3.27Å; A653-W657 VanDerWaalsContact O-N 3.13Å; D655-W657 VanDerWaalsContact C-N 3.35Å; D655-W657 PolarHBondContact O-N 3.23Å; W657-V659 VanDerWaalsContact C-N 3.31Å; W657-V659 PolarHBondContact O-N 3.38Å; W657-G660 PolarHBondContact O-N 3.02Å; W657-G660 VanDerWaalsContact O-N 3.14Å; W657-C661 PolarHBondContact NE1-SG 2.79Å; W657-C661 PolarHBondContact O-N 3.01Å; W657-C661 PolarHBondContact O-SG 3.46Å; W657-F673 HydrophobicContact CH2-CE2 4.46Å; W657-F673 HydrophobicContact CZ2-CD2 4.31Å; W657-F673 AromaticContact CZ2-CE2 3.73Å; W657-F673 HydrophobicContact CZ2-CE2 3.73Å; W657-I685 HydrophobicContact CH2-CG2 3.67Å; W657-I685 HydrophobicContact CZ2-CD1 3.89Å; W657-I685 HydrophobicContact CZ2-CG1 4.1Å; W657-I685 HydrophobicContact CZ2-CG2 3.87Å; W657-L689 HydrophobicContact CH2-CD1 3.52Å; W657-L689 HydrophobicContact CZ3-CD1 4.09Å; W657-L739 HydrophobicContact CD2-CD2 4.13Å; W657-L739 HydrophobicContact CE3-CD2 4.17Å; W657-L739 HydrophobicContact CH2-CD2 4.37Å; W657-L739 HydrophobicContact CZ2-CD2 4.29Å; W657-L739 HydrophobicContact CZ3-CB 4.26Å; W657-L739 HydrophobicContact CZ3-CD2 4.31Å; W657-L739 WeakPolarHBondContact CZ3-O 3.42Å
658	S	97.8	Very high	94.3	Very high	9 Å²	9	19 Å²	19	6%	0.063	10%	0.098	C	C	.	.	H	α-helix	trans	-63.8	-39.1	178.3	-52.9	0	0	0	0	110.9	Y638 V654 D655 M656 C661 I662	Y638-S658 PolarHBondContact O-OG 3.02Å; Y638-S658 VanDerWaalsContact O-OG 3.12Å; V654-S658 PolarHBondContact O-N 3.21Å; V654-S658 PolarHBondContact O-OG 3.28Å; D655-S658 CarbonylContact O-C 3.51Å; D655-S658 WeakPolarHBondContact O-CA 3.42Å; D655-S658 VanDerWaalsContact O-CB 3.26Å; D655-S658 WeakPolarHBondContact O-CB 3.37Å; D655-S658 PolarHBondContact O-N 2.85Å; M656-S658 VanDerWaalsContact C-N 3.34Å; S658-C661 WeakPolarHBondContact O-CB 3.12Å; S658-C661 PolarHBondContact O-N 3.4Å; S658-I662 WeakPolarHBondContact O-CD1 3.28Å; S658-I662 VanDerWaalsContact O-CG1 3.29Å; S658-I662 WeakPolarHBondContact O-CG1 3.05Å; S658-I662 PolarHBondContact O-N 2.67Å
659	V	98.6	Very high	95	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-59	-43.8	170.6	171.3	0	0	0	0	111.6	M578 L581 L582 V585 L598 D655 M656 W657 C661 I662 F663 F738	M578-V659 HydrophobicContact CE-CG1 3.59Å; L581-V659 HydrophobicContact CD2-CG1 4.17Å; L581-V659 HydrophobicContact CD2-CG2 4.13Å; L581-V659 HydrophobicContact CG-CG2 4.22Å; L582-V659 HydrophobicContact CD2-CG1 3.99Å; V585-V659 HydrophobicContact CG2-CG2 4.09Å; L598-V659 HydrophobicContact CD1-CG2 3.96Å; D655-V659 WeakPolarHBondContact O-CG2 3.39Å; D655-V659 PolarHBondContact O-N 3.4Å; M656-V659 WeakPolarHBondContact O-CB 3.44Å; M656-V659 PolarHBondContact O-N 3.02Å; W657-V659 VanDerWaalsContact C-N 3.31Å; W657-V659 PolarHBondContact O-N 3.38Å; V659-C661 VanDerWaalsContact C-N 3.34Å; V659-C661 PolarHBondContact O-N 3.48Å; V659-I662 PolarHBondContact O-N 3.18Å; V659-F663 PolarHBondContact O-N 2.8Å; V659-F738 HydrophobicContact CG1-CD1 4.37Å; V659-F738 HydrophobicContact CG1-CE1 3.97Å; V659-F738 HydrophobicContact CG1-CE2 4.3Å; V659-F738 HydrophobicContact CG1-CZ 3.93Å
660	G	98.3	Very high	95.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-60.2	-40.3	172.5	0	0	0	0	0	113.5	M656 W657 I662 F663 G664	M656-G660 PolarHBondContact O-N 2.74Å; M656-G660 VanDerWaalsContact O-N 3.09Å; W657-G660 PolarHBondContact O-N 3.02Å; W657-G660 VanDerWaalsContact O-N 3.14Å; G660-I662 VanDerWaalsContact C-N 3.35Å; G660-I662 PolarHBondContact O-N 3.32Å; G660-F663 PolarHBondContact O-N 2.92Å; G660-G664 PolarHBondContact O-N 3.47Å
661	C	98.3	Very high	96.1	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-65.2	-37.1	175.1	-64	0	0	0	0	112.8	Y638 W657 S658 V659 E665 L672	Y638-C661 HydrophobicContact CD1-CB 3.74Å; Y638-C661 HydrophobicContact CG-CB 4.49Å; W657-C661 PolarHBondContact NE1-SG 2.79Å; W657-C661 PolarHBondContact O-N 3.01Å; W657-C661 PolarHBondContact O-SG 3.46Å; S658-C661 WeakPolarHBondContact O-CB 3.12Å; S658-C661 PolarHBondContact O-N 3.4Å; V659-C661 VanDerWaalsContact C-N 3.34Å; V659-C661 PolarHBondContact O-N 3.48Å; C661-E665 PolarHBondContact O-N 3.32Å; C661-L672 HydrophobicContact CB-CB 4.45Å; C661-L672 HydrophobicContact CB-CD2 4.4Å
662	I	98.4	Very high	96.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-69.2	-41.3	175.1	-68.8	158.4	0	0	0	111	L581 L598 T600 L603 Y638 S658 V659 G660 G664 E665 L666	L581-I662 HydrophobicContact CD2-CB 4.44Å; L581-I662 HydrophobicContact CD2-CD1 4.32Å; L581-I662 HydrophobicContact CD2-CG2 3.94Å; L598-I662 HydrophobicContact CB-CD1 4.02Å; T600-I662 HydrophobicContact CG2-CG1 4.39Å; T600-I662 HydrophobicContact CG2-CG2 4.14Å; L603-I662 HydrophobicContact CD1-CD1 4.11Å; L603-I662 HydrophobicContact CD1-CG2 3.94Å; Y638-I662 HydrophobicContact CD1-CG1 4.03Å; Y638-I662 HydrophobicContact CE1-CG1 4.08Å; S658-I662 WeakPolarHBondContact O-CD1 3.28Å; S658-I662 VanDerWaalsContact O-CG1 3.29Å; S658-I662 WeakPolarHBondContact O-CG1 3.05Å; S658-I662 PolarHBondContact O-N 2.67Å; V659-I662 PolarHBondContact O-N 3.18Å; G660-I662 VanDerWaalsContact C-N 3.35Å; G660-I662 PolarHBondContact O-N 3.32Å; I662-G664 PolarHBondContact O-N 2.86Å; I662-E665 PolarHBondContact O-N 3.2Å; I662-L666 HydrophobicContact CG2-CD1 4.18Å; I662-L666 WeakPolarHBondContact O-CG 3.42Å; I662-L666 PolarHBondContact O-N 3.42Å
663	F	98.4	Very high	96.5	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-59.5	-46.5	174.7	-173.7	-151.3	0	0	0	111.2	I574 M578 V659 G660 E665 L666 L667 L727 L734 M735 F738 Y757	I574-F663 HydrophobicContact CG2-CD2 3.95Å; I574-F663 HydrophobicContact CG2-CE2 3.87Å; M578-F663 HydrophobicContact CE-CB 3.68Å; M578-F663 HydrophobicContact CE-CD1 4.44Å; M578-F663 HydrophobicContact CE-CD2 4.26Å; M578-F663 HydrophobicContact CE-CG 3.9Å; M578-F663 HydrophobicContact CG-CD2 3.85Å; M578-F663 HydrophobicContact CG-CE2 4.38Å; M578-F663 HydrophobicContact CG-CG 4.44Å; M578-F663 HydrophobicContact SD-CB 3.73Å; M578-F663 HydrophobicContact SD-CD2 4Å; M578-F663 HydrophobicContact SD-CG 4.07Å; V659-F663 PolarHBondContact O-N 2.8Å; G660-F663 PolarHBondContact O-N 2.92Å; F663-E665 VanDerWaalsContact C-N 3.33Å; F663-E665 PolarHBondContact O-N 3.42Å; F663-L666 PolarHBondContact O-N 3.06Å; F663-L667 HydrophobicContact CD2-CD1 3.91Å; F663-L667 HydrophobicContact CD2-CG 4.22Å; F663-L667 HydrophobicContact CE2-CD1 3.78Å; F663-L667 HydrophobicContact CE2-CD2 4.28Å; F663-L667 HydrophobicContact CE2-CG 4.13Å; F663-L667 HydrophobicContact CG-CD1 4.34Å; F663-L667 HydrophobicContact CZ-CD1 4.1Å; F663-L667 WeakPolarHBondContact O-CD1 3.46Å; F663-L667 VanDerWaalsContact O-CG 3.3Å; F663-L667 WeakPolarHBondContact O-CG 3.13Å; F663-L667 PolarHBondContact O-N 2.96Å; F663-L667 VanDerWaalsContact O-N 3.15Å; F663-L727 HydrophobicContact CE1-CD1 4.47Å; F663-L727 HydrophobicContact CE2-CD2 4.32Å; F663-L727 HydrophobicContact CZ-CD1 4.42Å; F663-L727 HydrophobicContact CZ-CD2 3.79Å; F663-L734 HydrophobicContact CE1-CD2 4.33Å; F663-L734 HydrophobicContact CE1-CG 4.45Å; F663-M735 HydrophobicContact CB-CE 4.15Å; F663-M735 HydrophobicContact CD1-CB 4.48Å; F663-M735 HydrophobicContact CD1-CE 3.31Å; F663-M735 HydrophobicContact CD1-SD 3.85Å; F663-M735 HydrophobicContact CD2-CE 4.48Å; F663-M735 HydrophobicContact CE1-CB 4.3Å; F663-M735 HydrophobicContact CE1-CE 3.72Å; F663-M735 HydrophobicContact CE1-SD 4.49Å; F663-M735 HydrophobicContact CG-CE 3.73Å; F663-M735 HydrophobicContact CZ-CE 4.46Å; F663-F738 HydrophobicContact CD1-CD2 4.18Å; F663-F738 HydrophobicContact CD1-CE2 4.18Å; F663-Y757 HydrophobicContact CE1-CE1 4.48Å; F663-Y757 AromaticContact CE2-CE1 3.83Å; F663-Y757 HydrophobicContact CE2-CE1 3.83Å; F663-Y757 HydrophobicContact CZ-CD1 4.2Å; F663-Y757 AromaticContact CZ-CE1 3.46Å; F663-Y757 HydrophobicContact CZ-CE1 3.46Å; F663-Y757 VanDerWaalsContact CZ-CE1 3.46Å; F663-Y757 AromaticContact CZ-CZ 3.71Å
664	G	97.2	Very high	96.5	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-63.2	-34.4	175.5	0	0	0	0	0	113.9	G660 I662 T668	G660-G664 PolarHBondContact O-N 3.47Å; I662-G664 PolarHBondContact O-N 2.86Å; G664-T668 PolarHBondContact O-N 3.13Å; G664-T668 PolarHBondContact O-OG1 2.83Å
665	E	96.9	Very high	96.5	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-71.9	-42.3	174.4	-179.1	167.1	-142.5	0	0	111.9	K559 M562 T600 Y638 C661 I662 F663 L667 T668 Q669 K670 P671	K559-E665 IonicContact NZ-OE1 3.36Å; K559-E665 PolarHBondContact NZ-OE1 2.68Å; M562-E665 HydrophobicContact CE-CG 3.87Å; M562-E665 VanDerWaalsContact CE-O 3.28Å; M562-E665 WeakPolarHBondContact CE-O 3.41Å; T600-E665 HydrophobicContact CG2-CG 4.29Å; T600-E665 WeakPolarHBondContact CG2-OE2 3.42Å; T600-E665 PolarHBondContact OG1-OE2 2.73Å; Y638-E665 PolarHBondContact OH-OE2 3.13Å; C661-E665 PolarHBondContact O-N 3.32Å; I662-E665 PolarHBondContact O-N 3.2Å; F663-E665 VanDerWaalsContact C-N 3.33Å; F663-E665 PolarHBondContact O-N 3.42Å; E665-L667 VanDerWaalsContact C-N 3.34Å; E665-L667 PolarHBondContact O-N 3.2Å; E665-T668 PolarHBondContact O-N 3.19Å; E665-Q669 VanDerWaalsContact O-CA 3.24Å; E665-Q669 WeakPolarHBondContact O-CA 3.18Å; E665-Q669 PolarHBondContact O-N 3.42Å; E665-K670 WeakPolarHBondContact CA-O 3.39Å; E665-P671 WeakPolarHBondContact OE1-CD 3.38Å; E665-P671 WeakPolarHBondContact OE1-CG 3.32Å
666	L	96.9	Very high	96.4	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.016	13%	0.125	C	C	.	.	H	α-helix	trans	-56.6	-45.7	175.5	-81.5	169.6	0	0	0	112.2	L558 M562 F569 I574 L577 M578 I662 F663 T668	L558-L666 HydrophobicContact CD1-CD2 4.44Å; L558-L666 HydrophobicContact CD2-CD2 4.28Å; M562-L666 HydrophobicContact CE-CD2 4.27Å; M562-L666 HydrophobicContact SD-CD2 3.97Å; F569-L666 HydrophobicContact CD2-CD2 3.7Å; F569-L666 HydrophobicContact CE2-CD2 3.89Å; I574-L666 HydrophobicContact CD1-CB 4.35Å; I574-L666 HydrophobicContact CG1-CB 4.31Å; I574-L666 HydrophobicContact CG2-CB 4.12Å; I574-L666 HydrophobicContact CG2-CD1 4.33Å; L577-L666 HydrophobicContact CB-CD1 4.4Å; L577-L666 HydrophobicContact CD1-CD2 3.87Å; M578-L666 HydrophobicContact CG-CD1 4.39Å; M578-L666 HydrophobicContact SD-CD1 4.15Å; I662-L666 HydrophobicContact CG2-CD1 4.18Å; I662-L666 WeakPolarHBondContact O-CG 3.42Å; I662-L666 PolarHBondContact O-N 3.42Å; F663-L666 PolarHBondContact O-N 3.06Å; L666-T668 VanDerWaalsContact C-N 3.33Å; L666-T668 PolarHBondContact O-N 3.31Å
667	L	95.6	Very high	96.1	Very high	18 Å²	18	28.2 Å²	28.2	9%	0.094	15%	0.145	C	C	.	.	H	α-helix	trans	-67.9	-26.2	179.9	-67.1	161.3	0	0	0	114.1	I574 F663 E665 F723 L727 M735	I574-L667 HydrophobicContact CD1-CD2 3.85Å; I574-L667 HydrophobicContact CD1-CG 4.32Å; I574-L667 HydrophobicContact CG2-CD2 4.44Å; F663-L667 HydrophobicContact CD2-CD1 3.91Å; F663-L667 HydrophobicContact CD2-CG 4.22Å; F663-L667 HydrophobicContact CE2-CD1 3.78Å; F663-L667 HydrophobicContact CE2-CD2 4.28Å; F663-L667 HydrophobicContact CE2-CG 4.13Å; F663-L667 HydrophobicContact CG-CD1 4.34Å; F663-L667 HydrophobicContact CZ-CD1 4.1Å; F663-L667 WeakPolarHBondContact O-CD1 3.46Å; F663-L667 VanDerWaalsContact O-CG 3.3Å; F663-L667 WeakPolarHBondContact O-CG 3.13Å; F663-L667 PolarHBondContact O-N 2.96Å; F663-L667 VanDerWaalsContact O-N 3.15Å; E665-L667 VanDerWaalsContact C-N 3.34Å; E665-L667 PolarHBondContact O-N 3.2Å; L667-F723 HydrophobicContact CB-CD1 4.4Å; L667-F723 HydrophobicContact CB-CE1 4.1Å; L667-F723 HydrophobicContact CD1-CD1 3.95Å; L667-F723 HydrophobicContact CD1-CE1 3.96Å; L667-L727 HydrophobicContact CD1-CD1 3.77Å; L667-L727 HydrophobicContact CD1-CD2 3.75Å; L667-L727 HydrophobicContact CD1-CG 3.89Å; L667-L727 HydrophobicContact CD2-CD2 3.71Å; L667-L727 HydrophobicContact CD2-CG 4.36Å; L667-L727 HydrophobicContact CG-CD2 4.4Å; L667-M735 HydrophobicContact CD1-CE 3.51Å
668	T	93.7	Very high	95.8	Very high	30 Å²	30	33 Å²	33	18%	0.184	17%	0.167	C	C	.	.	H	α-helix	trans	-121.2	-0.5	-170.5	62.7	0	0	0	0	114.8	G664 E665 L666 K670 F723 L726	G664-T668 PolarHBondContact O-N 3.13Å; G664-T668 PolarHBondContact O-OG1 2.83Å; E665-T668 PolarHBondContact O-N 3.19Å; L666-T668 VanDerWaalsContact C-N 3.33Å; L666-T668 PolarHBondContact O-N 3.31Å; T668-K670 WeakPolarHBondContact O-CG 3.46Å; T668-K670 PolarHBondContact O-N 2.96Å; T668-K670 PolarHBondContact OG1-O 2.94Å; T668-F723 HydrophobicContact CG2-CD1 4.38Å; T668-F723 HydrophobicContact CG2-CE1 3.66Å; T668-F723 HydrophobicContact CG2-CZ 4.23Å; T668-L726 HydrophobicContact CG2-CD1 3.81Å
669	Q	92.8	Very high	95.5	Very high	64 Å²	64	36.5 Å²	36.5	30%	0.299	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	17	-168.9	-60.8	-176.5	-66	0	0	114.8	P568 E665	P568-Q669 HydrophobicContact CB-CG 4Å; E665-Q669 VanDerWaalsContact O-CA 3.24Å; E665-Q669 WeakPolarHBondContact O-CA 3.18Å; E665-Q669 PolarHBondContact O-N 3.42Å
670	K	93.2	Very high	95.2	Very high	145 Å²	145	38.8 Å²	38.8	63%	0.63	20%	0.197	S	C	*	.	S	Bend	trans	-136.6	135.5	-170.9	-71.1	165.6	-173.3	166.1	0	109.8	E665 T668 L672	E665-K670 WeakPolarHBondContact CA-O 3.39Å; T668-K670 WeakPolarHBondContact O-CG 3.46Å; T668-K670 PolarHBondContact O-N 2.96Å; T668-K670 PolarHBondContact OG1-O 2.94Å; K670-L672 PolarHBondContact O-N 3.37Å
671	P	95	Very high	95.1	Very high	21 Å²	21	38.8 Å²	38.8	14%	0.136	20%	0.197	C	C	.	.			trans	-51.8	134.2	178.8	-24.2	29.7	0	0	0	111.4	W637 E665 F673 P674	W637-P671 HydrophobicContact CD2-CB 4.3Å; W637-P671 HydrophobicContact CE3-CB 3.65Å; W637-P671 HydrophobicContact CE3-CG 3.6Å; W637-P671 HydrophobicContact CH2-CG 4.47Å; W637-P671 HydrophobicContact CZ3-CB 4.11Å; W637-P671 HydrophobicContact CZ3-CG 3.53Å; E665-P671 WeakPolarHBondContact OE1-CD 3.38Å; E665-P671 WeakPolarHBondContact OE1-CG 3.32Å; P671-F673 PolarHBondContact O-N 3Å; P671-P674 HydrophobicContact CB-CB 4.3Å
672	L	95.7	Very high	94.9	Very high	3 Å²	3	39.1 Å²	39.1	2%	0.016	20%	0.198	C	C	.	.	S	Bend	trans	-59.3	-52.1	-173.4	-175.8	61.1	0	0	0	111.5	C661 K670 R722 F723 L739	C661-L672 HydrophobicContact CB-CB 4.45Å; C661-L672 HydrophobicContact CB-CD2 4.4Å; K670-L672 PolarHBondContact O-N 3.37Å; L672-R722 PolarHBondContact O-NH1 3.01Å; L672-R722 PolarHBondContact O-NH2 3.39Å; L672-F723 HydrophobicContact CD1-CE2 3.86Å; L672-F723 HydrophobicContact CD1-CZ 3.66Å; L672-L739 HydrophobicContact CD2-CD1 3.7Å; L672-L739 HydrophobicContact CD2-CD2 4.09Å
673	F	96.6	Very high	94.7	Very high	2 Å²	2	41 Å²	41	1%	0.009	21%	0.208	C	C	.	.	S	Bend	trans	-126	84.5	-178.1	-52.9	-56.9	0	0	0	110.8	W637 W657 P671 G675 Q681 I685 D688 L689 L739	W637-F673 WeakPolarHBondContact CA-O 3.37Å; W637-F673 WeakPolarHBondContact CB-O 3.33Å; W657-F673 HydrophobicContact CH2-CE2 4.46Å; W657-F673 HydrophobicContact CZ2-CD2 4.31Å; W657-F673 AromaticContact CZ2-CE2 3.73Å; W657-F673 HydrophobicContact CZ2-CE2 3.73Å; P671-F673 PolarHBondContact O-N 3Å; F673-G675 PolarHBondContact O-N 2.97Å; F673-Q681 VanDerWaalsContact CB-NE2 3.28Å; F673-Q681 PolarHBondContact O-NE2 3Å; F673-Q681 PolarHBondContact O-OE1 3.26Å; F673-I685 HydrophobicContact CB-CG1 4.23Å; F673-I685 HydrophobicContact CD1-CG1 4.1Å; F673-I685 HydrophobicContact CD2-CD1 4.5Å; F673-I685 HydrophobicContact CD2-CG1 3.73Å; F673-I685 HydrophobicContact CE1-CG1 4.39Å; F673-I685 HydrophobicContact CE2-CG1 4.03Å; F673-I685 HydrophobicContact CG-CG1 3.76Å; F673-I685 HydrophobicContact CZ-CG1 4.35Å; F673-D688 HydrophobicContact CE1-CB 3.85Å; F673-L689 HydrophobicContact CZ-CD1 4.44Å; F673-L689 HydrophobicContact CZ-CD2 4.19Å; F673-L689 HydrophobicContact CZ-CG 4.24Å; F673-L739 HydrophobicContact CE2-CD2 4.22Å; F673-L739 HydrophobicContact CZ-CD1 4.48Å
674	P	95.6	Very high	94.6	Very high	53 Å²	53	43.9 Å²	43.9	34%	0.344	22%	0.221	S	C	.	.			trans	-85.1	75.4	-175.9	31.5	-32.5	0	0	0	111.9	W637 P671 K684	W637-P674 HydrophobicContact CD2-CB 4.37Å; W637-P674 HydrophobicContact CZ2-CB 4.38Å; P671-P674 HydrophobicContact CB-CB 4.3Å; P674-K684 WeakPolarHBondContact O-CD 3.28Å; P674-K684 WeakPolarHBondContact O-CE 3.28Å; P674-K684 PolarHBondContact O-NZ 3.21Å
675	G	95	Very high	94.6	Very high	5 Å²	5	43.9 Å²	43.9	5%	0.052	22%	0.221	C	C	.	.			trans	-79.1	155.2	177	0	0	0	0	0	115.3	W637 F673 D680	W637-G675 VanDerWaalsContact CD1-N 3.3Å; W637-G675 PolarHBondContact NE1-O 3.2Å; F673-G675 PolarHBondContact O-N 2.97Å; G675-D680 WeakPolarHBondContact CA-OD2 3.47Å
676	K	92.9	Very high	94.5	Very high	179 Å²	179	44 Å²	44	78%	0.778	22%	0.221	S	C	*	.	S	Bend	trans	-107.4	-17.2	178.5	-62.5	178.9	179.9	178.1	0	113.7	D680	K676-D680 WeakPolarHBondContact CB-OD2 3.38Å; K676-D680 PolarHBondContact N-OD2 2.94Å
677	S	92.5	Very high	94.3	Very high	60 Å²	60	49.6 Å²	49.6	42%	0.42	25%	0.246	S	C	.	.	S	Bend	trans	-152.5	162.4	175	68.2	0	0	0	0	108.9	L636 I679 D680 Q681	L636-S677 VanDerWaalsContact CD2-C 3.48Å; L636-S677 WeakPolarHBondContact CD2-O 3.3Å; S677-I679 PolarHBondContact O-N 2.99Å; S677-D680 CarbonylContact O-C 3.56Å; S677-D680 PolarHBondContact O-N 3.31Å; S677-D680 WeakPolarHBondContact OG-CB 3.49Å; S677-D680 PolarHBondContact OG-N 3.39Å; S677-Q681 WeakPolarHBondContact O-CB 3.35Å; S677-Q681 PolarHBondContact O-N 3.39Å
678	E	91.4	Very high	94.2	Very high	100 Å²	100	50.1 Å²	50.1	47%	0.467	25%	0.249	S	C	.	.	H	α-helix	trans	-58.4	-34	-176.1	-65.6	170.9	160.3	0	0	112.6	L636 R639 L644 I682	L636-E678 HydrophobicContact CD1-CG 3.84Å; R639-E678 IonicContact CZ-OE1 3.93Å; R639-E678 IonicContact NH1-OE1 2.66Å; R639-E678 PolarHBondContact NH1-OE1 3Å; R639-E678 IonicContact NH2-OE1 2.64Å; L644-E678 HydrophobicContact CD2-CB 4.1Å; L644-E678 HydrophobicContact CD2-CG 4.12Å; E678-I682 WeakPolarHBondContact O-CG1 3.29Å; E678-I682 PolarHBondContact O-N 2.82Å
679	I	91.8	Very high	94.3	Very high	84 Å²	84	49.4 Å²	49.4	43%	0.431	24%	0.243	S	C	.	.	H	α-helix	trans	-71.2	-42.5	174.2	-57.3	172.4	0	0	0	111.5	S677 Q681 I682 N683 M709	S677-I679 PolarHBondContact O-N 2.99Å; I679-Q681 VanDerWaalsContact C-N 3.31Å; I679-Q681 PolarHBondContact O-N 3.31Å; I679-I682 PolarHBondContact O-N 2.82Å; I679-N683 WeakPolarHBondContact O-CB 3.28Å; I679-N683 VanDerWaalsContact O-CG 3.24Å; I679-N683 PolarHBondContact O-N 2.94Å; I679-N683 PolarHBondContact O-ND2 3.09Å; I679-M709 HydrophobicContact CD1-SD 4.1Å; I679-M709 HydrophobicContact CG1-SD 4.4Å
680	D	93.8	Very high	94.4	Very high	48 Å²	48	46.6 Å²	46.6	26%	0.257	23%	0.232	S	C	.	.	H	α-helix	trans	-66.8	-33.2	175.6	179.4	52.8	0	0	0	111.7	G675 K676 S677 K684	G675-D680 WeakPolarHBondContact CA-OD2 3.47Å; K676-D680 WeakPolarHBondContact CB-OD2 3.38Å; K676-D680 PolarHBondContact N-OD2 2.94Å; S677-D680 CarbonylContact O-C 3.56Å; S677-D680 PolarHBondContact O-N 3.31Å; S677-D680 WeakPolarHBondContact OG-CB 3.49Å; S677-D680 PolarHBondContact OG-N 3.39Å; D680-K684 WeakPolarHBondContact O-CB 3.34Å; D680-K684 VanDerWaalsContact O-CD 3.26Å; D680-K684 WeakPolarHBondContact O-CD 3.49Å; D680-K684 VanDerWaalsContact O-CG 3.24Å; D680-K684 WeakPolarHBondContact O-CG 3.17Å; D680-K684 PolarHBondContact O-N 2.86Å; D680-K684 WeakPolarHBondContact OD1-CE 3.46Å; D680-K684 WeakPolarHBondContact OD2-CE 3.34Å
681	Q	95.5	Very high	94.4	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.9	-51.1	172.4	-172.3	68.2	22.1	0	0	111.2	L636 W637 L644 F673 S677 I679 N683 K684 I685	L636-Q681 HydrophobicContact CD1-CB 3.93Å; L636-Q681 HydrophobicContact CD1-CG 3.96Å; L636-Q681 HydrophobicContact CD2-CB 4.06Å; L636-Q681 HydrophobicContact CG-CB 3.84Å; L636-Q681 HydrophobicContact CG-CG 3.89Å; L636-Q681 VanDerWaalsContact O-CD 3.26Å; L636-Q681 PolarHBondContact O-NE2 2.95Å; W637-Q681 PolarHBondContact O-NE2 2.88Å; W637-Q681 VanDerWaalsContact O-NE2 3.16Å; L644-Q681 HydrophobicContact CD1-CB 4.32Å; L644-Q681 HydrophobicContact CD1-CG 3.6Å; L644-Q681 HydrophobicContact CD2-CB 4.24Å; L644-Q681 HydrophobicContact CD2-CG 4.03Å; L644-Q681 HydrophobicContact CG-CG 4.5Å; F673-Q681 VanDerWaalsContact CB-NE2 3.28Å; F673-Q681 PolarHBondContact O-NE2 3Å; F673-Q681 PolarHBondContact O-OE1 3.26Å; S677-Q681 WeakPolarHBondContact O-CB 3.35Å; S677-Q681 PolarHBondContact O-N 3.39Å; I679-Q681 VanDerWaalsContact C-N 3.31Å; I679-Q681 PolarHBondContact O-N 3.31Å; Q681-N683 PolarHBondContact O-N 2.64Å; Q681-K684 PolarHBondContact O-N 3.2Å; Q681-I685 HydrophobicContact CG-CD1 4.15Å; Q681-I685 VanDerWaalsContact O-CG1 3.32Å; Q681-I685 WeakPolarHBondContact O-CG1 3.38Å; Q681-I685 PolarHBondContact O-N 3.29Å
682	I	94.9	Very high	94.3	Very high	6 Å²	6	40.4 Å²	40.4	3%	0.031	21%	0.207	C	C	.	.	H	α-helix	trans	-56.9	-48.8	174.7	-70.4	164.6	0	0	0	110.6	L644 L645 E678 I679 K684 I685 Y686 F711	L644-I682 HydrophobicContact CB-CD1 3.92Å; L644-I682 HydrophobicContact CB-CG1 3.77Å; L644-I682 HydrophobicContact CD1-CG1 4.17Å; L644-I682 HydrophobicContact CG-CG1 4.48Å; L645-I682 HydrophobicContact CD2-CD1 3.71Å; L645-I682 HydrophobicContact CG-CD1 4.28Å; E678-I682 WeakPolarHBondContact O-CG1 3.29Å; E678-I682 PolarHBondContact O-N 2.82Å; I679-I682 PolarHBondContact O-N 2.82Å; I682-K684 VanDerWaalsContact C-N 3.27Å; I682-K684 PolarHBondContact O-N 3.29Å; I682-I685 PolarHBondContact O-N 3.29Å; I682-I685 VanDerWaalsContact O-N 3.11Å; I682-Y686 HydrophobicContact CG2-CD1 3.93Å; I682-Y686 HydrophobicContact CG2-CD2 3.98Å; I682-Y686 HydrophobicContact CG2-CE1 3.6Å; I682-Y686 HydrophobicContact CG2-CE2 3.67Å; I682-Y686 HydrophobicContact CG2-CG 4.13Å; I682-Y686 VanDerWaalsContact CG2-CZ 3.47Å; I682-Y686 WeakPolarHBondContact O-CD1 3.47Å; I682-Y686 PolarHBondContact O-N 2.93Å; I682-F711 HydrophobicContact CB-CE1 4.24Å; I682-F711 HydrophobicContact CD1-CE1 3.73Å; I682-F711 HydrophobicContact CD1-CZ 3.97Å; I682-F711 HydrophobicContact CG2-CD1 3.7Å; I682-F711 HydrophobicContact CG2-CE1 3.74Å; I682-F711 HydrophobicContact CG2-CG 4.48Å
683	N	93.9	Very high	94.1	Very high	40 Å²	40	42.9 Å²	42.9	21%	0.214	23%	0.225	C	C	.	.	H	α-helix	trans	-61.5	-33.3	-179.7	-72.4	-19.8	0	0	0	112.9	I679 Q681 K687	I679-N683 WeakPolarHBondContact O-CB 3.28Å; I679-N683 VanDerWaalsContact O-CG 3.24Å; I679-N683 PolarHBondContact O-N 2.94Å; I679-N683 PolarHBondContact O-ND2 3.09Å; Q681-N683 PolarHBondContact O-N 2.64Å; N683-K687 VanDerWaalsContact O-CB 3.24Å; N683-K687 WeakPolarHBondContact O-CB 3.41Å; N683-K687 PolarHBondContact O-N 3.46Å
684	K	95.6	Very high	93.9	Very high	60 Å²	60	46.5 Å²	46.5	26%	0.261	24%	0.242	S	C	.	.	H	α-helix	trans	-70.4	-40.9	173.6	-75.3	158.1	-176	-93.9	0	112.4	P674 D680 Q681 I682 D688	P674-K684 WeakPolarHBondContact O-CD 3.28Å; P674-K684 WeakPolarHBondContact O-CE 3.28Å; P674-K684 PolarHBondContact O-NZ 3.21Å; D680-K684 WeakPolarHBondContact O-CB 3.34Å; D680-K684 VanDerWaalsContact O-CD 3.26Å; D680-K684 WeakPolarHBondContact O-CD 3.49Å; D680-K684 VanDerWaalsContact O-CG 3.24Å; D680-K684 WeakPolarHBondContact O-CG 3.17Å; D680-K684 PolarHBondContact O-N 2.86Å; D680-K684 WeakPolarHBondContact OD1-CE 3.46Å; D680-K684 WeakPolarHBondContact OD2-CE 3.34Å; Q681-K684 PolarHBondContact O-N 3.2Å; I682-K684 VanDerWaalsContact C-N 3.27Å; I682-K684 PolarHBondContact O-N 3.29Å; K684-D688 PolarHBondContact O-N 3.18Å
685	I	96.5	Very high	93.7	Very high	1 Å²	1	53 Å²	53	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-62.4	-49.4	174.5	-65.1	164	0	0	0	109.4	L644 W657 F673 Q681 I682 K687 D688 L689 Y741	L644-I685 HydrophobicContact CD1-CD1 3.63Å; W657-I685 HydrophobicContact CH2-CG2 3.67Å; W657-I685 HydrophobicContact CZ2-CD1 3.89Å; W657-I685 HydrophobicContact CZ2-CG1 4.1Å; W657-I685 HydrophobicContact CZ2-CG2 3.87Å; F673-I685 HydrophobicContact CB-CG1 4.23Å; F673-I685 HydrophobicContact CD1-CG1 4.1Å; F673-I685 HydrophobicContact CD2-CD1 4.5Å; F673-I685 HydrophobicContact CD2-CG1 3.73Å; F673-I685 HydrophobicContact CE1-CG1 4.39Å; F673-I685 HydrophobicContact CE2-CG1 4.03Å; F673-I685 HydrophobicContact CG-CG1 3.76Å; F673-I685 HydrophobicContact CZ-CG1 4.35Å; Q681-I685 HydrophobicContact CG-CD1 4.15Å; Q681-I685 VanDerWaalsContact O-CG1 3.32Å; Q681-I685 WeakPolarHBondContact O-CG1 3.38Å; Q681-I685 PolarHBondContact O-N 3.29Å; I682-I685 PolarHBondContact O-N 3.29Å; I682-I685 VanDerWaalsContact O-N 3.11Å; I685-K687 PolarHBondContact O-N 3.09Å; I685-D688 PolarHBondContact O-N 3.25Å; I685-L689 HydrophobicContact CG2-CD1 3.7Å; I685-L689 HydrophobicContact CG2-CG 4.11Å; I685-L689 WeakPolarHBondContact O-CB 3.27Å; I685-L689 WeakPolarHBondContact O-CG 3.4Å; I685-L689 PolarHBondContact O-N 3.42Å; I685-Y741 HydrophobicContact CG2-CE1 4.01Å
686	Y	95.4	Very high	93.5	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.008	28%	0.282	C	S	.	.	H	α-helix	trans	-64.6	-37.4	-178.8	-70.1	9.5	0	0	0	112.3	I682 D688 G690 S691 P692 Y700 F711 Y714 Y741	I682-Y686 HydrophobicContact CG2-CD1 3.93Å; I682-Y686 HydrophobicContact CG2-CD2 3.98Å; I682-Y686 HydrophobicContact CG2-CE1 3.6Å; I682-Y686 HydrophobicContact CG2-CE2 3.67Å; I682-Y686 HydrophobicContact CG2-CG 4.13Å; I682-Y686 VanDerWaalsContact CG2-CZ 3.47Å; I682-Y686 WeakPolarHBondContact O-CD1 3.47Å; I682-Y686 PolarHBondContact O-N 2.93Å; Y686-D688 VanDerWaalsContact C-N 3.31Å; Y686-D688 PolarHBondContact O-N 3.31Å; Y686-G690 CarbonylContact O-C 3.58Å; Y686-G690 VanDerWaalsContact O-C 3.26Å; Y686-G690 WeakPolarHBondContact O-CA 3.4Å; Y686-G690 PolarHBondContact O-N 2.84Å; Y686-S691 WeakPolarHBondContact CD2-OG 3.49Å; Y686-P692 HydrophobicContact CE1-CG 3.86Å; Y686-P692 VanDerWaalsContact CZ-CD 3.49Å; Y686-Y700 VanDerWaalsContact OH-CE2 3.31Å; Y686-Y700 WeakPolarHBondContact OH-CE2 3.32Å; Y686-Y700 PolarHBondContact OH-OH 2.94Å; Y686-F711 HydrophobicContact CD2-CB 4.31Å; Y686-F711 HydrophobicContact CE2-CB 3.86Å; Y686-F711 HydrophobicContact CE2-CD1 4.46Å; Y686-F711 HydrophobicContact CE2-CG 4.06Å; Y686-Y714 VanDerWaalsContact O-CB 3.28Å; Y686-Y714 WeakPolarHBondContact O-CB 3.37Å; Y686-Y741 HydrophobicContact CD1-CE1 4.23Å; Y686-Y741 WeakPolarHBondContact CD1-OH 3.43Å; Y686-Y741 AromaticContact CE1-CE1 3.99Å; Y686-Y741 HydrophobicContact CE1-CE1 3.99Å
687	K	94	Very high	93.6	Very high	120 Å²	120	48.8 Å²	48.8	52%	0.522	25%	0.247	S	C	.	.	H	α-helix	trans	-63.2	-35.7	176.6	-176.8	174.7	179.1	178.7	0	113.1	N683 I685 Y714 N718	N683-K687 VanDerWaalsContact O-CB 3.24Å; N683-K687 WeakPolarHBondContact O-CB 3.41Å; N683-K687 PolarHBondContact O-N 3.46Å; I685-K687 PolarHBondContact O-N 3.09Å; K687-Y714 HydrophobicContact CB-CD1 4.21Å; K687-Y714 HydrophobicContact CB-CE1 4.03Å; K687-Y714 HydrophobicContact CB-CE2 4.45Å; K687-Y714 HydrophobicContact CG-CD1 4.3Å; K687-Y714 HydrophobicContact CG-CE1 4.05Å; K687-N718 PolarHBondContact O-ND2 3.41Å
688	D	93.1	Very high	93.7	Very high	30 Å²	30	49.5 Å²	49.5	16%	0.16	25%	0.251	C	S	.	.	H	α-helix	trans	-92.4	-30.6	-176.6	-86.2	35.2	0	0	0	113.1	F673 K684 I685 Y686 N717 N718 L719 R722	F673-D688 HydrophobicContact CE1-CB 3.85Å; K684-D688 PolarHBondContact O-N 3.18Å; I685-D688 PolarHBondContact O-N 3.25Å; Y686-D688 VanDerWaalsContact C-N 3.31Å; Y686-D688 PolarHBondContact O-N 3.31Å; D688-N717 PolarHBondContact O-OD1 2.99Å; D688-N718 CarbonylContact O-C 3.46Å; D688-N718 WeakPolarHBondContact O-CA 3.34Å; D688-N718 PolarHBondContact O-N 3.29Å; D688-L719 PolarHBondContact O-N 3.43Å; D688-R722 WeakPolarHBondContact OD2-CD 3.41Å; D688-R722 IonicContact OD2-CZ 2.64Å; D688-R722 IonicContact OD2-NE 3.78Å; D688-R722 IonicContact OD2-NH1 3.19Å; D688-R722 PolarHBondContact OD2-NH1 3.3Å
689	L	95	Very high	93.6	Very high	14 Å²	14	46 Å²	46	7%	0.073	24%	0.241	C	C	.	.	H	α-helix	trans	-102.3	-12.3	-178.6	-56.1	-166.6	0	0	0	114.7	W657 F673 I685 N717 L719 L739 Y741	W657-L689 HydrophobicContact CH2-CD1 3.52Å; W657-L689 HydrophobicContact CZ3-CD1 4.09Å; F673-L689 HydrophobicContact CZ-CD1 4.44Å; F673-L689 HydrophobicContact CZ-CD2 4.19Å; F673-L689 HydrophobicContact CZ-CG 4.24Å; I685-L689 HydrophobicContact CG2-CD1 3.7Å; I685-L689 HydrophobicContact CG2-CG 4.11Å; I685-L689 WeakPolarHBondContact O-CB 3.27Å; I685-L689 WeakPolarHBondContact O-CG 3.4Å; I685-L689 PolarHBondContact O-N 3.42Å; L689-N717 WeakPolarHBondContact O-CA 3.39Å; L689-N717 VanDerWaalsContact O-CB 3.27Å; L689-N717 WeakPolarHBondContact O-CB 3.4Å; L689-L719 HydrophobicContact CD2-CD1 3.43Å; L689-L719 VanDerWaalsContact CD2-CD1 3.43Å; L689-L719 HydrophobicContact CD2-CD2 3.65Å; L689-L719 HydrophobicContact CD2-CG 3.44Å; L689-L719 VanDerWaalsContact CD2-CG 3.44Å; L689-L739 HydrophobicContact CD1-CB 4.3Å; L689-L739 HydrophobicContact CD2-CB 4.48Å; L689-L739 HydrophobicContact CD2-CD1 4.38Å; L689-Y741 HydrophobicContact CB-CE2 3.91Å; L689-Y741 HydrophobicContact CD1-CE2 4.18Å
690	G	94.6	Very high	93.7	Very high	5 Å²	5	43.2 Å²	43.2	5%	0.052	23%	0.225	C	C	.	.			trans	79.3	160.2	-159.4	0	0	0	0	0	111.7	Y686 Y714 Y716 Y741	Y686-G690 CarbonylContact O-C 3.58Å; Y686-G690 VanDerWaalsContact O-C 3.26Å; Y686-G690 WeakPolarHBondContact O-CA 3.4Å; Y686-G690 PolarHBondContact O-N 2.84Å; G690-Y714 CarbonylContact C-O 3.56Å; G690-Y714 WeakPolarHBondContact CA-O 3.21Å; G690-Y716 WeakPolarHBondContact CA-O 3.43Å; G690-Y716 PolarHBondContact N-O 3.47Å; G690-Y741 WeakPolarHBondContact O-CE2 3.34Å; G690-Y741 PolarHBondContact O-OH 2.86Å
691	S	93.2	Very high	93.5	Very high	27 Å²	27	44 Å²	44	19%	0.189	23%	0.234	C	C	.	.			trans	-76.6	138.6	176.2	-66.7	0	0	0	0	111.5	Y686 T712 E713 Y714	Y686-S691 WeakPolarHBondContact CD2-OG 3.49Å; S691-T712 PolarHBondContact OG-O 2.86Å; S691-E713 WeakPolarHBondContact OG-CA 3.48Å; S691-Y714 PolarHBondContact N-O 2.88Å; S691-Y714 PolarHBondContact OG-N 3.23Å
692	P	93.7	Very high	93.3	Very high	10 Å²	10	50.5 Å²	50.5	7%	0.065	27%	0.265	C	S	.	.			trans	-70.7	156.3	174.4	30.9	-35.1	0	0	0	111.8	Y686 W697 Y700 Y741	Y686-P692 HydrophobicContact CE1-CG 3.86Å; Y686-P692 VanDerWaalsContact CZ-CD 3.49Å; P692-W697 HydrophobicContact CB-CE3 4.29Å; P692-Y700 HydrophobicContact CB-CD2 4.18Å; P692-Y700 HydrophobicContact CB-CE2 4.3Å; P692-Y700 HydrophobicContact CB-CG 4.43Å; P692-Y700 HydrophobicContact CG-CD2 3.76Å; P692-Y700 HydrophobicContact CG-CE1 4.29Å; P692-Y700 HydrophobicContact CG-CE2 3.4Å; P692-Y700 VanDerWaalsContact CG-CE2 3.4Å; P692-Y700 HydrophobicContact CG-CG 4.35Å; P692-Y741 HydrophobicContact CB-CD1 4.06Å; P692-Y741 HydrophobicContact CB-CD2 3.98Å; P692-Y741 HydrophobicContact CB-CE1 4.3Å; P692-Y741 HydrophobicContact CB-CE2 4.19Å; P692-Y741 HydrophobicContact CB-CG 3.91Å; P692-Y741 HydrophobicContact CG-CD1 4.15Å; P692-Y741 HydrophobicContact CG-CE1 4.03Å; P692-Y741 HydrophobicContact CG-CG 4.49Å
693	S	90.9	Very high	93.1	Very high	55 Å²	55	51.1 Å²	51.1	39%	0.385	27%	0.268	S	S	.	.			trans	-143.3	167.2	175	63	0	0	0	0	109.5	K695 I696 W697	S693-K695 PolarHBondContact O-N 3.3Å; S693-K695 VanDerWaalsContact O-N 3.08Å; S693-I696 PolarHBondContact O-N 3.4Å; S693-W697 PolarHBondContact O-N 3.31Å
694	E	92.1	Very high	92.9	Very high	78 Å²	78	51.6 Å²	51.6	36%	0.364	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-33	-179.9	-65.3	-53.6	135.1	0	0	113.9	I696 W697 P698 G699 Y700 S701	E694-I696 VanDerWaalsContact C-N 3.33Å; E694-I696 PolarHBondContact O-N 3.22Å; E694-W697 CarbonylContact O-C 3.58Å; E694-P698 WeakPolarHBondContact O-CA 3.1Å; E694-P698 WeakPolarHBondContact O-CD 3.36Å; E694-P698 WeakPolarHBondContact O-CG 3.2Å; E694-P698 VanDerWaalsContact O-N 3.13Å; E694-G699 PolarHBondContact OE2-N 2.94Å; E694-Y700 PolarHBondContact OE1-N 2.9Å; E694-S701 WeakPolarHBondContact OE1-CB 3.09Å; E694-S701 PolarHBondContact OE1-N 2.82Å; E694-S701 PolarHBondContact OE1-OG 2.93Å
695	K	91.6	Very high	92.6	Very high	189 Å²	189	49.5 Å²	49.5	82%	0.822	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-36.6	176.5	-174.9	174.5	-179.4	177	0	112.4	S693	S693-K695 PolarHBondContact O-N 3.3Å; S693-K695 VanDerWaalsContact O-N 3.08Å
696	I	91.8	Very high	92.3	Very high	80 Å²	80	50.9 Å²	50.9	41%	0.41	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-45.6	179.8	-60.2	173.2	0	0	0	109.6	S693 E694 Y741	S693-I696 PolarHBondContact O-N 3.4Å; E694-I696 VanDerWaalsContact C-N 3.33Å; E694-I696 PolarHBondContact O-N 3.22Å; I696-Y741 HydrophobicContact CG2-CD2 4.16Å
697	W	94.5	Very high	92	Very high	15 Å²	15	57.3 Å²	57.3	6%	0.057	30%	0.304	C	S	.	.	S	Bend	trans	-137.2	94.8	-176.7	-177.2	-0.7	0	0	0	110	P641 E642 L645 P692 S693 E694 G699 Y700 L703 Y741 C742 P743	P641-W697 HydrophobicContact CB-CH2 4.14Å; P641-W697 HydrophobicContact CB-CZ3 3.85Å; E642-W697 HydrophobicContact CB-CH2 3.85Å; E642-W697 HydrophobicContact CB-CZ2 3.84Å; L645-W697 HydrophobicContact CD1-CH2 3.89Å; L645-W697 HydrophobicContact CD1-CZ3 3.7Å; P692-W697 HydrophobicContact CB-CE3 4.29Å; S693-W697 PolarHBondContact O-N 3.31Å; E694-W697 CarbonylContact O-C 3.58Å; W697-G699 PolarHBondContact O-N 3.19Å; W697-Y700 HydrophobicContact CD2-CD2 4.46Å; W697-Y700 AromaticContact CE3-CD2 3.87Å; W697-Y700 HydrophobicContact CE3-CD2 3.87Å; W697-Y700 HydrophobicContact CZ3-CD2 4.12Å; W697-Y700 WeakPolarHBondContact O-CB 3.31Å; W697-Y700 PolarHBondContact O-N 3.36Å; W697-Y700 VanDerWaalsContact O-N 3.14Å; W697-L703 HydrophobicContact CH2-CD1 3.49Å; W697-L703 VanDerWaalsContact CH2-CD1 3.49Å; W697-L703 HydrophobicContact CZ2-CD1 3.55Å; W697-L703 HydrophobicContact CZ2-CD2 4.34Å; W697-L703 HydrophobicContact CZ3-CD1 4.01Å; W697-Y741 HydrophobicContact CE3-CD1 4.21Å; W697-Y741 HydrophobicContact CE3-CG 4.44Å; W697-Y741 HydrophobicContact CZ3-CD1 4.25Å; W697-C742 HydrophobicContact CB-CB 4.02Å; W697-C742 HydrophobicContact CG-CB 4Å; W697-P743 HydrophobicContact CZ2-CG 4.37Å
698	P	93.8	Very high	91.7	Very high	76 Å²	76	59.5 Å²	59.5	49%	0.494	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	134.7	173.3	-24.6	34.7	0	0	0	111.2	E694	E694-P698 WeakPolarHBondContact O-CA 3.1Å; E694-P698 WeakPolarHBondContact O-CD 3.36Å; E694-P698 WeakPolarHBondContact O-CG 3.2Å; E694-P698 VanDerWaalsContact O-N 3.13Å
699	G	90.4	Very high	91.4	Very high	26 Å²	26	62.5 Å²	62.5	27%	0.268	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	8	-174.7	0	0	0	0	0	114.4	E694 W697 S701 E702	E694-G699 PolarHBondContact OE2-N 2.94Å; W697-G699 PolarHBondContact O-N 3.19Å; G699-S701 PolarHBondContact O-N 2.82Å; G699-E702 WeakPolarHBondContact O-CB 3.28Å; G699-E702 PolarHBondContact O-N 3.03Å
700	Y	92.8	Very high	90.9	Very high	25 Å²	25	67.9 Å²	67.9	10%	0.098	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-58.8	-45.6	178.1	165.5	-106.1	0	0	0	112.3	L645 Y686 P692 E694 W697 E702 L703 V706	L645-Y700 HydrophobicContact CD1-CD2 4.18Å; L645-Y700 HydrophobicContact CD1-CE2 3.76Å; Y686-Y700 VanDerWaalsContact OH-CE2 3.31Å; Y686-Y700 WeakPolarHBondContact OH-CE2 3.32Å; Y686-Y700 PolarHBondContact OH-OH 2.94Å; P692-Y700 HydrophobicContact CB-CD2 4.18Å; P692-Y700 HydrophobicContact CB-CE2 4.3Å; P692-Y700 HydrophobicContact CB-CG 4.43Å; P692-Y700 HydrophobicContact CG-CD2 3.76Å; P692-Y700 HydrophobicContact CG-CE1 4.29Å; P692-Y700 HydrophobicContact CG-CE2 3.4Å; P692-Y700 VanDerWaalsContact CG-CE2 3.4Å; P692-Y700 HydrophobicContact CG-CG 4.35Å; E694-Y700 PolarHBondContact OE1-N 2.9Å; W697-Y700 HydrophobicContact CD2-CD2 4.46Å; W697-Y700 AromaticContact CE3-CD2 3.87Å; W697-Y700 HydrophobicContact CE3-CD2 3.87Å; W697-Y700 HydrophobicContact CZ3-CD2 4.12Å; W697-Y700 WeakPolarHBondContact O-CB 3.31Å; W697-Y700 PolarHBondContact O-N 3.36Å; W697-Y700 VanDerWaalsContact O-N 3.14Å; Y700-E702 PolarHBondContact O-N 3.42Å; Y700-E702 VanDerWaalsContact O-N 3.11Å; Y700-L703 HydrophobicContact CD2-CD1 3.89Å; Y700-L703 WeakPolarHBondContact O-CB 3.47Å; Y700-L703 WeakPolarHBondContact O-CD1 3.43Å; Y700-L703 WeakPolarHBondContact O-CG 3.17Å; Y700-L703 PolarHBondContact O-N 3.27Å; Y700-L703 VanDerWaalsContact O-N 3.14Å; Y700-V706 HydrophobicContact CD1-CG1 4.45Å; Y700-V706 HydrophobicContact CD2-CG2 4.05Å; Y700-V706 HydrophobicContact CE1-CG1 3.93Å; Y700-V706 HydrophobicContact CE1-CG2 4.31Å; Y700-V706 HydrophobicContact CE2-CG2 3.48Å; Y700-V706 VanDerWaalsContact CE2-CG2 3.48Å; Y700-V706 WeakPolarHBondContact O-CG2 3.14Å
701	S	90.7	Very high	90.6	Very high	64 Å²	64	68.9 Å²	68.9	45%	0.448	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-64.8	-12.9	175.9	-52.6	0	0	0	0	112.6	E694 G699 K707	E694-S701 WeakPolarHBondContact OE1-CB 3.09Å; E694-S701 PolarHBondContact OE1-N 2.82Å; E694-S701 PolarHBondContact OE1-OG 2.93Å; G699-S701 PolarHBondContact O-N 2.82Å; S701-K707 VanDerWaalsContact O-CG 3.29Å; S701-K707 WeakPolarHBondContact O-CG 3.48Å
702	E	90.8	Very high	90.4	Very high	138 Å²	138	71.3 Å²	71.3	65%	0.645	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-82.4	-17.3	176.7	-60.9	-155.1	177.4	0	0	114.4	G699 Y700 K707	G699-E702 WeakPolarHBondContact O-CB 3.28Å; G699-E702 PolarHBondContact O-N 3.03Å; Y700-E702 PolarHBondContact O-N 3.42Å; Y700-E702 VanDerWaalsContact O-N 3.11Å; E702-K707 VanDerWaalsContact CA-NZ 3.26Å; E702-K707 WeakPolarHBondContact O-CD 3.4Å; E702-K707 WeakPolarHBondContact O-CE 3.49Å; E702-K707 PolarHBondContact O-NZ 3.23Å
703	L	90.8	Very high	90.1	Very high	19 Å²	19	79 Å²	79	10%	0.099	42%	0.418	C	S	.	.	S	Bend	trans	-66.8	143	-169.4	-65.3	167.7	0	0	0	112.8	L645 A647 W697 Y700 A705 V706 K707	L645-L703 HydrophobicContact CB-CB 4.21Å; L645-L703 HydrophobicContact CB-CD1 3.91Å; L645-L703 HydrophobicContact CD1-CD1 3.74Å; L645-L703 HydrophobicContact CG-CD1 4.47Å; A647-L703 HydrophobicContact CB-CD2 4.21Å; W697-L703 HydrophobicContact CH2-CD1 3.49Å; W697-L703 VanDerWaalsContact CH2-CD1 3.49Å; W697-L703 HydrophobicContact CZ2-CD1 3.55Å; W697-L703 HydrophobicContact CZ2-CD2 4.34Å; W697-L703 HydrophobicContact CZ3-CD1 4.01Å; Y700-L703 HydrophobicContact CD2-CD1 3.89Å; Y700-L703 WeakPolarHBondContact O-CB 3.47Å; Y700-L703 WeakPolarHBondContact O-CD1 3.43Å; Y700-L703 WeakPolarHBondContact O-CG 3.17Å; Y700-L703 PolarHBondContact O-N 3.27Å; Y700-L703 VanDerWaalsContact O-N 3.14Å; L703-A705 VanDerWaalsContact C-N 3.27Å; L703-A705 PolarHBondContact O-N 3.19Å; L703-A705 VanDerWaalsContact O-N 3.12Å; L703-V706 HydrophobicContact CB-CB 4.39Å; L703-V706 HydrophobicContact CB-CG2 3.95Å; L703-V706 HydrophobicContact CD1-CG2 4.43Å; L703-V706 PolarHBondContact O-N 3.38Å; L703-V706 VanDerWaalsContact O-N 3.09Å; L703-K707 PolarHBondContact O-N 2.96Å
704	P	90.8	Very high	90.1	Very high	50 Å²	50	79.6 Å²	79.6	33%	0.325	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-23.8	-172.2	-29.5	39.1	0	0	0	116.7	G646 K708	G646-P704 WeakPolarHBondContact O-CG 3.49Å; P704-K708 WeakPolarHBondContact O-CD 3.5Å; P704-K708 WeakPolarHBondContact O-CE 3.42Å; P704-K708 VanDerWaalsContact O-CG 3.28Å; P704-K708 WeakPolarHBondContact O-CG 3.26Å
705	A	88.6	Confident	89.8	Confident	16 Å²	16	81 Å²	81	13%	0.132	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-43.7	172	0	0	0	0	0	112.2	L645 L703 K707 K708 M709 F711	L645-A705 HydrophobicContact CB-CB 4.27Å; L645-A705 HydrophobicContact CD2-CB 3.97Å; L645-A705 VanDerWaalsContact O-CB 3.28Å; L645-A705 WeakPolarHBondContact O-CB 3.24Å; L645-A705 PolarHBondContact O-N 3.47Å; L703-A705 VanDerWaalsContact C-N 3.27Å; L703-A705 PolarHBondContact O-N 3.19Å; L703-A705 VanDerWaalsContact O-N 3.12Å; A705-K707 VanDerWaalsContact C-N 3.34Å; A705-K707 PolarHBondContact O-N 3.19Å; A705-K708 CarbonylContact O-C 3.39Å; A705-K708 PolarHBondContact O-N 3.12Å; A705-M709 PolarHBondContact O-N 3.03Å; A705-F711 HydrophobicContact CB-CZ 4.29Å
706	V	89.6	Confident	89.6	Confident	30 Å²	30	80.1 Å²	80.1	18%	0.182	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-41.2	-178.6	-173.4	0	0	0	0	110.8	L645 Y700 L703 K708 F711	L645-V706 HydrophobicContact CD1-CG2 4.43Å; L645-V706 HydrophobicContact CD2-CG2 3.91Å; Y700-V706 HydrophobicContact CD1-CG1 4.45Å; Y700-V706 HydrophobicContact CD2-CG2 4.05Å; Y700-V706 HydrophobicContact CE1-CG1 3.93Å; Y700-V706 HydrophobicContact CE1-CG2 4.31Å; Y700-V706 HydrophobicContact CE2-CG2 3.48Å; Y700-V706 VanDerWaalsContact CE2-CG2 3.48Å; Y700-V706 WeakPolarHBondContact O-CG2 3.14Å; L703-V706 HydrophobicContact CB-CB 4.39Å; L703-V706 HydrophobicContact CB-CG2 3.95Å; L703-V706 HydrophobicContact CD1-CG2 4.43Å; L703-V706 PolarHBondContact O-N 3.38Å; L703-V706 VanDerWaalsContact O-N 3.09Å; V706-K708 PolarHBondContact O-N 2.99Å; V706-F711 HydrophobicContact CG2-CE2 4.43Å
707	K	89.4	Confident	89.5	Confident	136 Å²	136	79.9 Å²	79.9	59%	0.591	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-5.9	172.6	-73.7	-178.5	168.6	143.3	0	115.2	S701 E702 L703 A705	S701-K707 VanDerWaalsContact O-CG 3.29Å; S701-K707 WeakPolarHBondContact O-CG 3.48Å; E702-K707 VanDerWaalsContact CA-NZ 3.26Å; E702-K707 WeakPolarHBondContact O-CD 3.4Å; E702-K707 WeakPolarHBondContact O-CE 3.49Å; E702-K707 PolarHBondContact O-NZ 3.23Å; L703-K707 PolarHBondContact O-N 2.96Å; A705-K707 VanDerWaalsContact C-N 3.34Å; A705-K707 PolarHBondContact O-N 3.19Å
708	K	88.3	Confident	89.3	Confident	166 Å²	166	82.1 Å²	82.1	72%	0.722	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.6	-13.4	-171.8	-64.5	-179.3	-166.2	167.2	0	114.9	P704 A705 V706	P704-K708 WeakPolarHBondContact O-CD 3.5Å; P704-K708 WeakPolarHBondContact O-CE 3.42Å; P704-K708 VanDerWaalsContact O-CG 3.28Å; P704-K708 WeakPolarHBondContact O-CG 3.26Å; A705-K708 CarbonylContact O-C 3.39Å; A705-K708 PolarHBondContact O-N 3.12Å; V706-K708 PolarHBondContact O-N 2.99Å
709	M	87.1	Confident	89.1	Confident	94 Å²	94	78.5 Å²	78.5	46%	0.463	41%	0.41	S	S	.	.			trans	-141.3	133.8	-172.4	-59.6	-173.2	-175.7	0	0	109.8	I679 A705 F711	I679-M709 HydrophobicContact CD1-SD 4.1Å; I679-M709 HydrophobicContact CG1-SD 4.4Å; A705-M709 PolarHBondContact O-N 3.03Å; M709-F711 HydrophobicContact CB-CE2 4.13Å; M709-F711 HydrophobicContact CB-CZ 4.15Å
710	S	84.6	Confident	89.1	Confident	126 Å²	126	83.4 Å²	83.4	88%	0.881	42%	0.42	S	S	*	.			trans	-79.8	133.5	164.2	179	0	0	0	0	108.8
711	F	87.1	Confident	89	Confident	27 Å²	27	91.1 Å²	91.1	12%	0.118	45%	0.454	C	S	.	.			trans	-106.3	158.2	172.9	-65.4	-82	0	0	0	109.6	L645 I682 Y686 A705 V706 M709	L645-F711 HydrophobicContact CD2-CE2 3.95Å; L645-F711 HydrophobicContact CD2-CZ 3.81Å; I682-F711 HydrophobicContact CB-CE1 4.24Å; I682-F711 HydrophobicContact CD1-CE1 3.73Å; I682-F711 HydrophobicContact CD1-CZ 3.97Å; I682-F711 HydrophobicContact CG2-CD1 3.7Å; I682-F711 HydrophobicContact CG2-CE1 3.74Å; I682-F711 HydrophobicContact CG2-CG 4.48Å; Y686-F711 HydrophobicContact CD2-CB 4.31Å; Y686-F711 HydrophobicContact CE2-CB 3.86Å; Y686-F711 HydrophobicContact CE2-CD1 4.46Å; Y686-F711 HydrophobicContact CE2-CG 4.06Å; A705-F711 HydrophobicContact CB-CZ 4.29Å; V706-F711 HydrophobicContact CG2-CE2 4.43Å; M709-F711 HydrophobicContact CB-CE2 4.13Å; M709-F711 HydrophobicContact CB-CZ 4.15Å
712	T	88.4	Confident	89	Confident	77 Å²	77	92 Å²	92	47%	0.472	45%	0.448	S	S	.	.			trans	-73.1	129.8	170	-55.1	0	0	0	0	109.4	S691 Y714	S691-T712 PolarHBondContact OG-O 2.86Å; T712-Y714 HydrophobicContact CG2-CD2 4.42Å; T712-Y714 HydrophobicContact CG2-CE1 4.46Å; T712-Y714 HydrophobicContact CG2-CE2 3.76Å; T712-Y714 VanDerWaalsContact O-CD2 3.28Å; T712-Y714 WeakPolarHBondContact O-CD2 3.47Å; T712-Y714 WeakPolarHBondContact O-CE2 3.39Å
713	E	88.2	Confident	89.2	Confident	171 Å²	171	85.5 Å²	85.5	80%	0.799	42%	0.417	S	S	*	.			trans	-81.7	137.5	176.2	-66.3	-174.4	173	0	0	111.7	S691	S691-E713 WeakPolarHBondContact OG-CA 3.48Å
714	Y	91.2	Very high	89	Confident	68 Å²	68	86.8 Å²	86.8	27%	0.267	44%	0.436	S	S	.	.			trans	-128.9	109.3	176.6	-66.6	-85.9	0	0	0	108.5	Y686 K687 G690 S691 T712 Y716	Y686-Y714 VanDerWaalsContact O-CB 3.28Å; Y686-Y714 WeakPolarHBondContact O-CB 3.37Å; K687-Y714 HydrophobicContact CB-CD1 4.21Å; K687-Y714 HydrophobicContact CB-CE1 4.03Å; K687-Y714 HydrophobicContact CB-CE2 4.45Å; K687-Y714 HydrophobicContact CG-CD1 4.3Å; K687-Y714 HydrophobicContact CG-CE1 4.05Å; G690-Y714 CarbonylContact C-O 3.56Å; G690-Y714 WeakPolarHBondContact CA-O 3.21Å; S691-Y714 PolarHBondContact N-O 2.88Å; S691-Y714 PolarHBondContact OG-N 3.23Å; T712-Y714 HydrophobicContact CG2-CD2 4.42Å; T712-Y714 HydrophobicContact CG2-CE1 4.46Å; T712-Y714 HydrophobicContact CG2-CE2 3.76Å; T712-Y714 VanDerWaalsContact O-CD2 3.28Å; T712-Y714 WeakPolarHBondContact O-CD2 3.47Å; T712-Y714 WeakPolarHBondContact O-CE2 3.39Å; Y714-Y716 VanDerWaalsContact C-N 3.31Å; Y714-Y716 PolarHBondContact O-N 2.99Å
715	P	85.1	Confident	89	Confident	107 Å²	107	89.3 Å²	89.3	70%	0.695	46%	0.461	S	S	*	.			trans	-77.3	-8.2	-168.3	27.3	-34.6	0	0	0	115.5
716	Y	87.9	Confident	89.2	Confident	172 Å²	172	92.4 Å²	92.4	68%	0.675	48%	0.475	S	S	*	.	S	Bend	trans	-131.5	137.3	-169.1	-52.8	-53.8	0	0	0	113.4	G690 Y714 N718	G690-Y716 WeakPolarHBondContact CA-O 3.43Å; G690-Y716 PolarHBondContact N-O 3.47Å; Y714-Y716 VanDerWaalsContact C-N 3.31Å; Y714-Y716 PolarHBondContact O-N 2.99Å; Y716-N718 PolarHBondContact O-ND2 2.94Å
717	N	89.4	Confident	89.4	Confident	75 Å²	75	91.9 Å²	91.9	40%	0.401	47%	0.471	S	S	.	.			trans	-76.5	119.7	168.2	-177.6	-20	0	0	0	109.9	D688 L689 L719 N736	D688-N717 PolarHBondContact O-OD1 2.99Å; L689-N717 WeakPolarHBondContact O-CA 3.39Å; L689-N717 VanDerWaalsContact O-CB 3.27Å; L689-N717 WeakPolarHBondContact O-CB 3.4Å; N717-L719 VanDerWaalsContact OD1-CB 3.28Å; N717-L719 WeakPolarHBondContact OD1-CB 3.43Å; N717-L719 WeakPolarHBondContact OD1-CG 3.35Å; N717-L719 PolarHBondContact OD1-N 3.08Å; N717-N736 PolarHBondContact ND2-OD1 3.28Å
718	N	90.4	Very high	89.7	Confident	62 Å²	62	87.5 Å²	87.5	33%	0.332	46%	0.457	S	S	.	.			trans	-99.3	0.4	-177.8	-71.6	-72.3	0	0	0	113.4	K687 D688 Y716 R720 K721 R722	K687-N718 PolarHBondContact O-ND2 3.41Å; D688-N718 CarbonylContact O-C 3.46Å; D688-N718 WeakPolarHBondContact O-CA 3.34Å; D688-N718 PolarHBondContact O-N 3.29Å; Y716-N718 PolarHBondContact O-ND2 2.94Å; N718-R720 VanDerWaalsContact C-N 3.3Å; N718-R720 PolarHBondContact O-N 2.98Å; N718-K721 WeakPolarHBondContact O-CB 3.29Å; N718-K721 PolarHBondContact O-N 3.49Å; N718-R722 PolarHBondContact O-N 3.08Å
719	L	89.1	Confident	90	Very high	0 Å²	0	84.4 Å²	84.4	0%	0	45%	0.448	C	S	.	.	H	α-helix	trans	-55.7	-41.3	-179.1	-70.8	-178.2	0	0	0	112.5	D688 L689 N717 K721 R722 F723 F732 M735 L739	D688-L719 PolarHBondContact O-N 3.43Å; L689-L719 HydrophobicContact CD2-CD1 3.43Å; L689-L719 VanDerWaalsContact CD2-CD1 3.43Å; L689-L719 HydrophobicContact CD2-CD2 3.65Å; L689-L719 HydrophobicContact CD2-CG 3.44Å; L689-L719 VanDerWaalsContact CD2-CG 3.44Å; N717-L719 VanDerWaalsContact OD1-CB 3.28Å; N717-L719 WeakPolarHBondContact OD1-CB 3.43Å; N717-L719 WeakPolarHBondContact OD1-CG 3.35Å; N717-L719 PolarHBondContact OD1-N 3.08Å; L719-K721 VanDerWaalsContact C-N 3.25Å; L719-K721 PolarHBondContact O-N 3.2Å; L719-R722 CarbonylContact O-C 3.35Å; L719-R722 PolarHBondContact O-N 3.21Å; L719-F723 HydrophobicContact CD2-CD2 4.08Å; L719-F723 HydrophobicContact CD2-CE2 3.9Å; L719-F723 PolarHBondContact O-N 3.39Å; L719-F732 HydrophobicContact CB-CE2 3.65Å; L719-F732 HydrophobicContact CB-CZ 4.22Å; L719-M735 HydrophobicContact CD1-CG 4.36Å; L719-L739 HydrophobicContact CD1-CD1 3.96Å; L719-L739 HydrophobicContact CD2-CD1 4.26Å
720	R	91.1	Very high	90.5	Very high	128 Å²	128	83.5 Å²	83.5	48%	0.483	44%	0.443	S	S	.	.	H	α-helix	trans	-63.5	-34.6	-179.6	-170.9	170.6	-81.7	-92.2	8.2	111.5	N718 G724 D729 F732	N718-R720 VanDerWaalsContact C-N 3.3Å; N718-R720 PolarHBondContact O-N 2.98Å; R720-G724 WeakPolarHBondContact O-CA 3.49Å; R720-G724 PolarHBondContact O-N 2.8Å; R720-D729 IonicContact CZ-OD1 3.2Å; R720-D729 IonicContact NH1-OD1 3.44Å; R720-D729 PolarHBondContact NH1-OD1 3.43Å; R720-D729 IonicContact NH2-OD1 2.68Å; R720-D729 PolarHBondContact NH2-OD1 2.95Å; R720-F732 VanDerWaalsContact CA-CE2 3.45Å; R720-F732 HydrophobicContact CB-CD2 4.48Å; R720-F732 HydrophobicContact CB-CE1 4.2Å; R720-F732 HydrophobicContact CB-CE2 3.75Å; R720-F732 HydrophobicContact CB-CZ 3.58Å; R720-F732 HydrophobicContact CG-CE2 4.49Å; R720-F732 HydrophobicContact CG-CZ 4.38Å; R720-F732 VanDerWaalsContact N-CE2 3.28Å; R720-F732 VanDerWaalsContact NH2-CD1 3.29Å
721	K	90.9	Very high	91.1	Very high	187 Å²	187	77.5 Å²	77.5	81%	0.813	40%	0.401	S	S	*	.	H	α-helix	trans	-70.8	-29.3	173.3	-175.1	172.9	-179.1	171.6	0	112.7	N718 L719	N718-K721 WeakPolarHBondContact O-CB 3.29Å; N718-K721 PolarHBondContact O-N 3.49Å; L719-K721 VanDerWaalsContact C-N 3.25Å; L719-K721 PolarHBondContact O-N 3.2Å
722	R	90.8	Very high	91.5	Very high	84 Å²	84	77.3 Å²	77.3	32%	0.317	40%	0.4	S	S	.	.	H	α-helix	trans	-83.5	-30.2	178.2	-174.5	171.3	174	173.1	-4	113.6	L672 D688 N718 L719	L672-R722 PolarHBondContact O-NH1 3.01Å; L672-R722 PolarHBondContact O-NH2 3.39Å; D688-R722 WeakPolarHBondContact OD2-CD 3.41Å; D688-R722 IonicContact OD2-CZ 2.64Å; D688-R722 IonicContact OD2-NE 3.78Å; D688-R722 IonicContact OD2-NH1 3.19Å; D688-R722 PolarHBondContact OD2-NH1 3.3Å; N718-R722 PolarHBondContact O-N 3.08Å; L719-R722 CarbonylContact O-C 3.35Å; L719-R722 PolarHBondContact O-N 3.21Å
723	F	93.4	Very high	91.9	Very high	0 Å²	0	76.2 Å²	76.2	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-123	-9.2	-170.5	-70.2	-79.5	0	0	0	115.9	L667 T668 L672 L719 A725 L726 L727 M735	L667-F723 HydrophobicContact CB-CD1 4.4Å; L667-F723 HydrophobicContact CB-CE1 4.1Å; L667-F723 HydrophobicContact CD1-CD1 3.95Å; L667-F723 HydrophobicContact CD1-CE1 3.96Å; T668-F723 HydrophobicContact CG2-CD1 4.38Å; T668-F723 HydrophobicContact CG2-CE1 3.66Å; T668-F723 HydrophobicContact CG2-CZ 4.23Å; L672-F723 HydrophobicContact CD1-CE2 3.86Å; L672-F723 HydrophobicContact CD1-CZ 3.66Å; L719-F723 HydrophobicContact CD2-CD2 4.08Å; L719-F723 HydrophobicContact CD2-CE2 3.9Å; L719-F723 PolarHBondContact O-N 3.39Å; F723-A725 PolarHBondContact O-N 3.41Å; F723-L726 HydrophobicContact CD1-CD1 4.35Å; F723-L726 WeakPolarHBondContact O-CA 3.46Å; F723-L726 PolarHBondContact O-N 3.49Å; F723-L727 HydrophobicContact CB-CD1 4.04Å; F723-L727 HydrophobicContact CB-CG 4.47Å; F723-L727 HydrophobicContact CD1-CD1 4.33Å; F723-L727 HydrophobicContact CG-CD1 4.38Å; F723-L727 PolarHBondContact O-N 3.15Å; F723-M735 HydrophobicContact CD1-CE 4.44Å; F723-M735 HydrophobicContact CE1-CE 4.21Å; F723-M735 HydrophobicContact CZ-CE 4.38Å
724	G	88.5	Confident	92.4	Very high	47 Å²	47	68.1 Å²	68.1	49%	0.485	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-8	-174.2	0	0	0	0	0	116.4	R720	R720-G724 WeakPolarHBondContact O-CA 3.49Å; R720-G724 PolarHBondContact O-N 2.8Å
725	A	90.7	Very high	92.7	Very high	103 Å²	103	64.9 Å²	64.9	85%	0.851	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	-0.3	170.3	0	0	0	0	0	113.4	F723	F723-A725 PolarHBondContact O-N 3.41Å
726	L	91.6	Very high	93.2	Very high	81 Å²	81	61.5 Å²	61.5	42%	0.424	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.4	-18.4	-175.8	-59.8	175.6	0	0	0	113	T668 F723	T668-L726 HydrophobicContact CG2-CD1 3.81Å; F723-L726 HydrophobicContact CD1-CD1 4.35Å; F723-L726 WeakPolarHBondContact O-CA 3.46Å; F723-L726 PolarHBondContact O-N 3.49Å
727	L	94.4	Very high	93.7	Very high	18 Å²	18	56.9 Å²	56.9	9%	0.094	30%	0.301	C	S	.	.			trans	-131.6	142.2	-178.1	-67.7	177.8	0	0	0	110.7	F663 L667 F723 M735 Y757	F663-L727 HydrophobicContact CE1-CD1 4.47Å; F663-L727 HydrophobicContact CE2-CD2 4.32Å; F663-L727 HydrophobicContact CZ-CD1 4.42Å; F663-L727 HydrophobicContact CZ-CD2 3.79Å; L667-L727 HydrophobicContact CD1-CD1 3.77Å; L667-L727 HydrophobicContact CD1-CD2 3.75Å; L667-L727 HydrophobicContact CD1-CG 3.89Å; L667-L727 HydrophobicContact CD2-CD2 3.71Å; L667-L727 HydrophobicContact CD2-CG 4.36Å; L667-L727 HydrophobicContact CG-CD2 4.4Å; F723-L727 HydrophobicContact CB-CD1 4.04Å; F723-L727 HydrophobicContact CB-CG 4.47Å; F723-L727 HydrophobicContact CD1-CD1 4.33Å; F723-L727 HydrophobicContact CG-CD1 4.38Å; F723-L727 PolarHBondContact O-N 3.15Å; L727-M735 HydrophobicContact CD1-CB 4.27Å; L727-M735 HydrophobicContact CD1-CE 4Å; L727-Y757 HydrophobicContact CD2-CE2 4.13Å
728	S	95.3	Very high	94.1	Very high	44 Å²	44	53.3 Å²	53.3	31%	0.308	28%	0.282	S	S	.	.			trans	-65.8	172.5	160	61.2	0	0	0	0	111.4	Q730 G731 F732 E760	S728-Q730 VanDerWaalsContact C-N 3.28Å; S728-Q730 PolarHBondContact O-N 3.27Å; S728-G731 PolarHBondContact O-N 3.44Å; S728-G731 PolarHBondContact OG-N 3.22Å; S728-G731 VanDerWaalsContact OG-N 3.16Å; S728-F732 WeakPolarHBondContact O-CB 2.74Å; S728-F732 PolarHBondContact O-N 3.23Å; S728-E760 WeakPolarHBondContact CB-OE2 3.38Å; S728-E760 VanDerWaalsContact OG-CD 3.23Å; S728-E760 PolarHBondContact OG-OE1 3.46Å; S728-E760 PolarHBondContact OG-OE2 2.7Å
729	D	95.9	Very high	94.4	Very high	101 Å²	101	50.7 Å²	50.7	54%	0.54	27%	0.267	S	S	.	.	H	α-helix	trans	-60.2	-35.2	172.6	-71.3	-64.2	0	0	0	113.2	R720 F732 D733	R720-D729 IonicContact CZ-OD1 3.2Å; R720-D729 IonicContact NH1-OD1 3.44Å; R720-D729 PolarHBondContact NH1-OD1 3.43Å; R720-D729 IonicContact NH2-OD1 2.68Å; R720-D729 PolarHBondContact NH2-OD1 2.95Å; D729-F732 PolarHBondContact O-N 3.02Å; D729-D733 VanDerWaalsContact O-CB 3.3Å; D729-D733 WeakPolarHBondContact O-CB 3.48Å; D729-D733 PolarHBondContact O-N 2.87Å
730	Q	96.9	Very high	94.8	Very high	76 Å²	76	52.5 Å²	52.5	36%	0.355	28%	0.279	S	S	.	.	H	α-helix	trans	-67.7	-39.3	175.2	-65.1	-66.1	-8.8	0	0	112.4	S728 L734 E756 E760	S728-Q730 VanDerWaalsContact C-N 3.28Å; S728-Q730 PolarHBondContact O-N 3.27Å; Q730-L734 WeakPolarHBondContact O-CB 3.44Å; Q730-L734 PolarHBondContact O-N 2.87Å; Q730-L734 VanDerWaalsContact O-N 3.08Å; Q730-E756 HydrophobicContact CG-CB 4.36Å; Q730-E760 HydrophobicContact CB-CG 4.33Å
731	G	96.4	Very high	95	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-68.8	-37.5	174.3	0	0	0	0	0	112.3	S728 M735 Y757	S728-G731 PolarHBondContact O-N 3.44Å; S728-G731 PolarHBondContact OG-N 3.22Å; S728-G731 VanDerWaalsContact OG-N 3.16Å; G731-M735 WeakPolarHBondContact O-CB 3.32Å; G731-M735 PolarHBondContact O-N 3.46Å; G731-Y757 VanDerWaalsContact N-CD2 3.34Å
732	F	96.1	Very high	95.3	Very high	22 Å²	22	38.4 Å²	38.4	10%	0.096	22%	0.221	C	C	.	.	H	α-helix	trans	-66.7	-43.3	175.6	-177.3	-106.6	0	0	0	112	L719 R720 S728 D729 M735 N736	L719-F732 HydrophobicContact CB-CE2 3.65Å; L719-F732 HydrophobicContact CB-CZ 4.22Å; R720-F732 VanDerWaalsContact CA-CE2 3.45Å; R720-F732 HydrophobicContact CB-CD2 4.48Å; R720-F732 HydrophobicContact CB-CE1 4.2Å; R720-F732 HydrophobicContact CB-CE2 3.75Å; R720-F732 HydrophobicContact CB-CZ 3.58Å; R720-F732 HydrophobicContact CG-CE2 4.49Å; R720-F732 HydrophobicContact CG-CZ 4.38Å; R720-F732 VanDerWaalsContact N-CE2 3.28Å; R720-F732 VanDerWaalsContact NH2-CD1 3.29Å; S728-F732 WeakPolarHBondContact O-CB 2.74Å; S728-F732 PolarHBondContact O-N 3.23Å; D729-F732 PolarHBondContact O-N 3.02Å; F732-M735 WeakPolarHBondContact O-CB 3.45Å; F732-M735 PolarHBondContact O-N 2.88Å; F732-N736 WeakPolarHBondContact CD1-ND2 3.39Å; F732-N736 WeakPolarHBondContact CE1-ND2 3.44Å; F732-N736 WeakPolarHBondContact CZ-ND2 3.24Å; F732-N736 PolarHBondContact O-N 3.01Å; F732-N736 PolarHBondContact O-ND2 2.9Å
733	D	97	Very high	95.5	Very high	55 Å²	55	36 Å²	36	29%	0.294	22%	0.217	S	C	.	.	H	α-helix	trans	-59.7	-48.8	174	177.2	41.7	0	0	0	111.4	D729 M735 N736 K737 H755	D729-D733 VanDerWaalsContact O-CB 3.3Å; D729-D733 WeakPolarHBondContact O-CB 3.48Å; D729-D733 PolarHBondContact O-N 2.87Å; D733-M735 VanDerWaalsContact C-N 3.29Å; D733-M735 PolarHBondContact O-N 3.24Å; D733-N736 PolarHBondContact O-N 2.9Å; D733-N736 VanDerWaalsContact O-N 3.12Å; D733-K737 WeakPolarHBondContact O-CB 3.43Å; D733-K737 WeakPolarHBondContact O-CG 3.47Å; D733-K737 PolarHBondContact O-N 2.7Å; D733-K737 WeakPolarHBondContact OD1-CE 3.28Å; D733-K737 IonicContact OD1-NZ 3.5Å; D733-K737 PolarHBondContact OD1-NZ 3.26Å; D733-K737 WeakPolarHBondContact OD2-CE 3.14Å; D733-K737 IonicContact OD2-NZ 2.7Å; D733-K737 PolarHBondContact OD2-NZ 2.8Å; D733-H755 IonicContact OD2-CE1 3.63Å; D733-H755 PolarHBondContact OD2-CE1 2.97Å; D733-H755 VanDerWaalsContact OD2-CE1 3.23Å; D733-H755 IonicContact OD2-NE2 3.7Å; D733-H755 PolarHBondContact OD2-NE2 3.41Å
734	L	98.1	Very high	95.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-56.6	-40.7	173.7	-178	60.5	0	0	0	112.5	F663 Q730 K737 F738 I747 A752 H755 Y757 F758	F663-L734 HydrophobicContact CE1-CD2 4.33Å; F663-L734 HydrophobicContact CE1-CG 4.45Å; Q730-L734 WeakPolarHBondContact O-CB 3.44Å; Q730-L734 PolarHBondContact O-N 2.87Å; Q730-L734 VanDerWaalsContact O-N 3.08Å; L734-K737 PolarHBondContact O-N 2.97Å; L734-F738 HydrophobicContact CD1-CD2 4.25Å; L734-F738 HydrophobicContact CD1-CE1 4.3Å; L734-F738 HydrophobicContact CD1-CE2 3.65Å; L734-F738 HydrophobicContact CD1-CZ 3.66Å; L734-F738 HydrophobicContact CD2-CE2 3.98Å; L734-F738 HydrophobicContact CD2-CZ 4.39Å; L734-F738 HydrophobicContact CG-CD2 4.09Å; L734-F738 HydrophobicContact CG-CE2 3.53Å; L734-F738 HydrophobicContact CG-CZ 4.06Å; L734-F738 VanDerWaalsContact O-CD2 3.31Å; L734-F738 WeakPolarHBondContact O-CD2 3.36Å; L734-F738 PolarHBondContact O-N 3.49Å; L734-I747 HydrophobicContact CD1-CD1 4.25Å; L734-A752 HydrophobicContact CD1-CB 4.4Å; L734-H755 HydrophobicContact CD1-CB 4.1Å; L734-Y757 HydrophobicContact CD2-CD1 3.56Å; L734-Y757 HydrophobicContact CD2-CE1 4.43Å; L734-Y757 HydrophobicContact CD2-CG 4.1Å; L734-F758 HydrophobicContact CD2-CE2 3.66Å; L734-F758 HydrophobicContact CD2-CZ 3.75Å
735	M	97.5	Very high	95.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61.7	-44.5	176	-174.6	67.6	75.4	0	0	112.1	F663 L667 L719 F723 L727 G731 F732 D733 F738 L739	F663-M735 HydrophobicContact CB-CE 4.15Å; F663-M735 HydrophobicContact CD1-CB 4.48Å; F663-M735 HydrophobicContact CD1-CE 3.31Å; F663-M735 HydrophobicContact CD1-SD 3.85Å; F663-M735 HydrophobicContact CD2-CE 4.48Å; F663-M735 HydrophobicContact CE1-CB 4.3Å; F663-M735 HydrophobicContact CE1-CE 3.72Å; F663-M735 HydrophobicContact CE1-SD 4.49Å; F663-M735 HydrophobicContact CG-CE 3.73Å; F663-M735 HydrophobicContact CZ-CE 4.46Å; L667-M735 HydrophobicContact CD1-CE 3.51Å; L719-M735 HydrophobicContact CD1-CG 4.36Å; F723-M735 HydrophobicContact CD1-CE 4.44Å; F723-M735 HydrophobicContact CE1-CE 4.21Å; F723-M735 HydrophobicContact CZ-CE 4.38Å; L727-M735 HydrophobicContact CD1-CB 4.27Å; L727-M735 HydrophobicContact CD1-CE 4Å; G731-M735 WeakPolarHBondContact O-CB 3.32Å; G731-M735 PolarHBondContact O-N 3.46Å; F732-M735 WeakPolarHBondContact O-CB 3.45Å; F732-M735 PolarHBondContact O-N 2.88Å; D733-M735 VanDerWaalsContact C-N 3.29Å; D733-M735 PolarHBondContact O-N 3.24Å; M735-F738 PolarHBondContact O-N 2.93Å; M735-L739 HydrophobicContact CG-CD1 3.97Å; M735-L739 WeakPolarHBondContact O-CB 3.42Å; M735-L739 WeakPolarHBondContact O-CG 3.4Å; M735-L739 PolarHBondContact O-N 2.87Å; M735-L739 HydrophobicContact SD-CD1 3.75Å; M735-L739 HydrophobicContact SD-CG 4.4Å
736	N	95.6	Very high	96.2	Very high	37 Å²	37	40.5 Å²	40.5	20%	0.198	22%	0.217	C	C	.	.	H	α-helix	trans	-66.8	-37.8	176.1	-70.4	-77.8	0	0	0	111.8	N717 F732 D733 F738 L739 T740	N717-N736 PolarHBondContact ND2-OD1 3.28Å; F732-N736 WeakPolarHBondContact CD1-ND2 3.39Å; F732-N736 WeakPolarHBondContact CE1-ND2 3.44Å; F732-N736 WeakPolarHBondContact CZ-ND2 3.24Å; F732-N736 PolarHBondContact O-N 3.01Å; F732-N736 PolarHBondContact O-ND2 2.9Å; D733-N736 PolarHBondContact O-N 2.9Å; D733-N736 VanDerWaalsContact O-N 3.12Å; N736-F738 PolarHBondContact O-N 3.38Å; N736-L739 CarbonylContact O-C 3.51Å; N736-L739 PolarHBondContact O-N 3.42Å; N736-T740 PolarHBondContact O-N 3.09Å; N736-T740 PolarHBondContact O-OG1 3.48Å
737	K	97.9	Very high	96.5	Very high	74 Å²	74	37.4 Å²	37.4	32%	0.322	20%	0.201	S	C	.	.	H	α-helix	trans	-62.5	-38.1	177.4	-80.1	166.3	169	172.2	0	112.8	D733 L734 I747 H755	D733-K737 WeakPolarHBondContact O-CB 3.43Å; D733-K737 WeakPolarHBondContact O-CG 3.47Å; D733-K737 PolarHBondContact O-N 2.7Å; D733-K737 WeakPolarHBondContact OD1-CE 3.28Å; D733-K737 IonicContact OD1-NZ 3.5Å; D733-K737 PolarHBondContact OD1-NZ 3.26Å; D733-K737 WeakPolarHBondContact OD2-CE 3.14Å; D733-K737 IonicContact OD2-NZ 2.7Å; D733-K737 PolarHBondContact OD2-NZ 2.8Å; L734-K737 PolarHBondContact O-N 2.97Å; K737-I747 HydrophobicContact CB-CB 3.99Å; K737-I747 HydrophobicContact CB-CD1 4.22Å; K737-I747 HydrophobicContact CB-CG2 3.92Å; K737-I747 HydrophobicContact CD-CD1 4.29Å; K737-I747 WeakPolarHBondContact O-CG2 3.47Å; K737-I747 PolarHBondContact O-N 2.9Å; K737-H755 VanDerWaalsContact CD-NE2 3.31Å; K737-H755 WeakPolarHBondContact CD-NE2 3.44Å; K737-H755 PolarHBondContact NZ-NE2 2.91Å
738	F	98.4	Very high	96.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-71	-41.3	169	-66.8	-49.8	0	0	0	113.2	M578 L582 M656 V659 F663 L734 M735 N736 T740 R746 I747 A752	M578-F738 HydrophobicContact CE-CE2 3.75Å; M578-F738 HydrophobicContact CE-CZ 4.06Å; L582-F738 HydrophobicContact CD1-CZ 4.24Å; L582-F738 HydrophobicContact CD2-CE1 3.98Å; L582-F738 HydrophobicContact CD2-CZ 3.98Å; M656-F738 HydrophobicContact CE-CD1 3.98Å; M656-F738 HydrophobicContact CE-CE1 3.61Å; V659-F738 HydrophobicContact CG1-CD1 4.37Å; V659-F738 HydrophobicContact CG1-CE1 3.97Å; V659-F738 HydrophobicContact CG1-CE2 4.3Å; V659-F738 HydrophobicContact CG1-CZ 3.93Å; F663-F738 HydrophobicContact CD1-CD2 4.18Å; F663-F738 HydrophobicContact CD1-CE2 4.18Å; L734-F738 HydrophobicContact CD1-CD2 4.25Å; L734-F738 HydrophobicContact CD1-CE1 4.3Å; L734-F738 HydrophobicContact CD1-CE2 3.65Å; L734-F738 HydrophobicContact CD1-CZ 3.66Å; L734-F738 HydrophobicContact CD2-CE2 3.98Å; L734-F738 HydrophobicContact CD2-CZ 4.39Å; L734-F738 HydrophobicContact CG-CD2 4.09Å; L734-F738 HydrophobicContact CG-CE2 3.53Å; L734-F738 HydrophobicContact CG-CZ 4.06Å; L734-F738 VanDerWaalsContact O-CD2 3.31Å; L734-F738 WeakPolarHBondContact O-CD2 3.36Å; L734-F738 PolarHBondContact O-N 3.49Å; M735-F738 PolarHBondContact O-N 2.93Å; N736-F738 PolarHBondContact O-N 3.38Å; F738-T740 VanDerWaalsContact C-N 3.25Å; F738-T740 PolarHBondContact O-N 3.29Å; F738-R746 VanDerWaalsContact O-CD 3.28Å; F738-R746 WeakPolarHBondContact O-CD 3.49Å; F738-R746 WeakPolarHBondContact O-CG 3.5Å; F738-I747 HydrophobicContact CD1-CG2 3.42Å; F738-I747 VanDerWaalsContact CD1-CG2 3.42Å; F738-I747 HydrophobicContact CE1-CG2 3.75Å; F738-I747 HydrophobicContact CG-CG2 4.22Å; F738-A752 HydrophobicContact CE1-CB 3.68Å; F738-A752 HydrophobicContact CZ-CB 3.89Å
739	L	97.6	Very high	96.9	Very high	7 Å²	7	36.6 Å²	36.6	4%	0.037	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	21.6	-176	-60.3	176.9	0	0	0	113.3	W657 L672 F673 L689 L719 M735 N736 Y741	W657-L739 HydrophobicContact CD2-CD2 4.13Å; W657-L739 HydrophobicContact CE3-CD2 4.17Å; W657-L739 HydrophobicContact CH2-CD2 4.37Å; W657-L739 HydrophobicContact CZ2-CD2 4.29Å; W657-L739 HydrophobicContact CZ3-CB 4.26Å; W657-L739 HydrophobicContact CZ3-CD2 4.31Å; W657-L739 WeakPolarHBondContact CZ3-O 3.42Å; L672-L739 HydrophobicContact CD2-CD1 3.7Å; L672-L739 HydrophobicContact CD2-CD2 4.09Å; F673-L739 HydrophobicContact CE2-CD2 4.22Å; F673-L739 HydrophobicContact CZ-CD1 4.48Å; L689-L739 HydrophobicContact CD1-CB 4.3Å; L689-L739 HydrophobicContact CD2-CB 4.48Å; L689-L739 HydrophobicContact CD2-CD1 4.38Å; L719-L739 HydrophobicContact CD1-CD1 3.96Å; L719-L739 HydrophobicContact CD2-CD1 4.26Å; M735-L739 HydrophobicContact CG-CD1 3.97Å; M735-L739 WeakPolarHBondContact O-CB 3.42Å; M735-L739 WeakPolarHBondContact O-CG 3.4Å; M735-L739 PolarHBondContact O-N 2.87Å; M735-L739 HydrophobicContact SD-CD1 3.75Å; M735-L739 HydrophobicContact SD-CG 4.4Å; N736-L739 CarbonylContact O-C 3.51Å; N736-L739 PolarHBondContact O-N 3.42Å; L739-Y741 PolarHBondContact O-N 2.7Å
740	T	96.8	Very high	97	Very high	38 Å²	38	33.9 Å²	33.9	23%	0.233	18%	0.183	C	C	.	.			trans	-71.6	127.2	177.1	-75	0	0	0	0	110.4	N736 F738 K745 R746	N736-T740 PolarHBondContact O-N 3.09Å; N736-T740 PolarHBondContact O-OG1 3.48Å; F738-T740 VanDerWaalsContact C-N 3.25Å; F738-T740 PolarHBondContact O-N 3.29Å; T740-K745 HydrophobicContact CG2-CB 3.91Å; T740-R746 PolarHBondContact O-NE 3.36Å; T740-R746 PolarHBondContact O-NH2 2.9Å; T740-R746 VanDerWaalsContact O-NH2 3.12Å
741	Y	96.2	Very high	97	Very high	13 Å²	13	35.4 Å²	35.4	5%	0.051	19%	0.19	C	C	.	.	S	Bend	trans	-58.2	-55.2	-177	-84.8	-68.1	0	0	0	113.3	P641 I685 Y686 L689 G690 P692 I696 W697 L739 P743 R746	P641-Y741 HydrophobicContact CB-CD1 3.94Å; P641-Y741 HydrophobicContact CB-CE1 4.18Å; P641-Y741 HydrophobicContact CG-CD1 3.72Å; P641-Y741 HydrophobicContact CG-CE1 3.88Å; I685-Y741 HydrophobicContact CG2-CE1 4.01Å; Y686-Y741 HydrophobicContact CD1-CE1 4.23Å; Y686-Y741 WeakPolarHBondContact CD1-OH 3.43Å; Y686-Y741 AromaticContact CE1-CE1 3.99Å; Y686-Y741 HydrophobicContact CE1-CE1 3.99Å; L689-Y741 HydrophobicContact CB-CE2 3.91Å; L689-Y741 HydrophobicContact CD1-CE2 4.18Å; G690-Y741 WeakPolarHBondContact O-CE2 3.34Å; G690-Y741 PolarHBondContact O-OH 2.86Å; P692-Y741 HydrophobicContact CB-CD1 4.06Å; P692-Y741 HydrophobicContact CB-CD2 3.98Å; P692-Y741 HydrophobicContact CB-CE1 4.3Å; P692-Y741 HydrophobicContact CB-CE2 4.19Å; P692-Y741 HydrophobicContact CB-CG 3.91Å; P692-Y741 HydrophobicContact CG-CD1 4.15Å; P692-Y741 HydrophobicContact CG-CE1 4.03Å; P692-Y741 HydrophobicContact CG-CG 4.49Å; I696-Y741 HydrophobicContact CG2-CD2 4.16Å; W697-Y741 HydrophobicContact CE3-CD1 4.21Å; W697-Y741 HydrophobicContact CE3-CG 4.44Å; W697-Y741 HydrophobicContact CZ3-CD1 4.25Å; L739-Y741 PolarHBondContact O-N 2.7Å; Y741-P743 VanDerWaalsContact O-CD 3.27Å; Y741-P743 WeakPolarHBondContact O-CD 3.46Å; Y741-R746 PolarHBondContact O-NH2 2.68Å
742	C	95.3	Very high	97.1	Very high	6 Å²	6	35.4 Å²	35.4	4%	0.041	19%	0.19	C	C	.	.	S	Bend	trans	-68.4	115.3	-176.2	-169.6	0	0	0	0	110.5	W697 S744 K745 R746	W697-C742 HydrophobicContact CB-CB 4.02Å; W697-C742 HydrophobicContact CG-CB 4Å; C742-S744 VanDerWaalsContact C-N 3.27Å; C742-S744 PolarHBondContact O-N 3.41Å; C742-S744 PolarHBondContact SG-OG 2.86Å; C742-K745 HydrophobicContact CB-CB 4.2Å; C742-K745 HydrophobicContact CB-CD 4.07Å; C742-K745 HydrophobicContact CB-CG 4.13Å; C742-K745 PolarHBondContact O-N 3.45Å; C742-R746 PolarHBondContact O-N 3.42Å
743	P	95.2	Very high	97.2	Very high	34 Å²	34	36.3 Å²	36.3	22%	0.221	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-62.6	-29.9	-170.7	-26.1	36.1	0	0	0	114.4	E642 A653 W697 Y741 K745 R746	E642-P743 HydrophobicContact CB-CG 3.98Å; E642-P743 HydrophobicContact CG-CG 3.79Å; A653-P743 HydrophobicContact CB-CB 3.96Å; A653-P743 WeakPolarHBondContact CB-O 3.42Å; W697-P743 HydrophobicContact CZ2-CG 4.37Å; Y741-P743 VanDerWaalsContact O-CD 3.27Å; Y741-P743 WeakPolarHBondContact O-CD 3.46Å; P743-K745 VanDerWaalsContact C-N 3.3Å; P743-K745 PolarHBondContact O-N 3.46Å; P743-R746 PolarHBondContact O-N 2.91Å
744	S	94.3	Very high	97.3	Very high	111 Å²	111	39.5 Å²	39.5	78%	0.776	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-78.7	-7.8	176.5	51.2	0	0	0	0	114.5	C742	C742-S744 VanDerWaalsContact C-N 3.27Å; C742-S744 PolarHBondContact O-N 3.41Å; C742-S744 PolarHBondContact SG-OG 2.86Å
745	K	96.3	Very high	97.3	Very high	120 Å²	120	40.3 Å²	40.3	52%	0.522	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-108.5	1.8	172.8	-58.2	-178.4	-176.5	175.2	0	112.5	T740 C742 P743	T740-K745 HydrophobicContact CG2-CB 3.91Å; C742-K745 HydrophobicContact CB-CB 4.2Å; C742-K745 HydrophobicContact CB-CD 4.07Å; C742-K745 HydrophobicContact CB-CG 4.13Å; C742-K745 PolarHBondContact O-N 3.45Å; P743-K745 VanDerWaalsContact C-N 3.3Å; P743-K745 PolarHBondContact O-N 3.46Å
746	R	97.9	Very high	97.3	Very high	14 Å²	14	44.2 Å²	44.2	5%	0.053	23%	0.228	C	C	.	.	S	Bend	trans	-86	132	-178.3	-167.9	-177.7	-60.4	149.8	5.9	109.1	E642 A653 M656 F738 T740 Y741 C742 P743	E642-R746 IonicContact OE1-CZ 3.87Å; E642-R746 IonicContact OE1-NH1 3.48Å; E642-R746 PolarHBondContact OE1-NH1 3.11Å; E642-R746 IonicContact OE1-NH2 3.96Å; E642-R746 IonicContact OE2-CZ 2.69Å; E642-R746 IonicContact OE2-NH1 3.26Å; E642-R746 PolarHBondContact OE2-NH1 3.5Å; E642-R746 IonicContact OE2-NH2 3.18Å; E642-R746 PolarHBondContact OE2-NH2 2.91Å; A653-R746 WeakPolarHBondContact O-CD 3.32Å; A653-R746 PolarHBondContact O-NH1 3.16Å; M656-R746 HydrophobicContact CB-CG 4.5Å; F738-R746 VanDerWaalsContact O-CD 3.28Å; F738-R746 WeakPolarHBondContact O-CD 3.49Å; F738-R746 WeakPolarHBondContact O-CG 3.5Å; T740-R746 PolarHBondContact O-NE 3.36Å; T740-R746 PolarHBondContact O-NH2 2.9Å; T740-R746 VanDerWaalsContact O-NH2 3.12Å; Y741-R746 PolarHBondContact O-NH2 2.68Å; C742-R746 PolarHBondContact O-N 3.42Å; P743-R746 PolarHBondContact O-N 2.91Å
747	I	98.5	Very high	97.4	Very high	16 Å²	16	42.7 Å²	42.7	8%	0.082	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-58	135.8	-172.9	-164.6	172.4	0	0	0	112.5	M656 L734 K737 F738 E751 A752	M656-I747 WeakPolarHBondContact CG-O 3.49Å; L734-I747 HydrophobicContact CD1-CD1 4.25Å; K737-I747 HydrophobicContact CB-CB 3.99Å; K737-I747 HydrophobicContact CB-CD1 4.22Å; K737-I747 HydrophobicContact CB-CG2 3.92Å; K737-I747 HydrophobicContact CD-CD1 4.29Å; K737-I747 WeakPolarHBondContact O-CG2 3.47Å; K737-I747 PolarHBondContact O-N 2.9Å; F738-I747 HydrophobicContact CD1-CG2 3.42Å; F738-I747 VanDerWaalsContact CD1-CG2 3.42Å; F738-I747 HydrophobicContact CE1-CG2 3.75Å; F738-I747 HydrophobicContact CG-CG2 4.22Å; I747-E751 HydrophobicContact CD1-CB 3.97Å; I747-E751 HydrophobicContact CG1-CB 3.51Å; I747-A752 HydrophobicContact CD1-CB 3.97Å; I747-A752 HydrophobicContact CG1-CB 4.23Å; I747-A752 HydrophobicContact CG2-CB 4.44Å
748	S	98.5	Very high	97.4	Very high	41 Å²	41	40 Å²	40	29%	0.287	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-74.1	166.7	172.9	69.7	0	0	0	0	112.2	D750 E751 A752	S748-D750 VanDerWaalsContact C-N 3.27Å; S748-D750 PolarHBondContact O-N 3.03Å; S748-E751 WeakPolarHBondContact CB-OE2 3.48Å; S748-E751 PolarHBondContact N-OE2 2.74Å; S748-E751 VanDerWaalsContact OG-CD 3.31Å; S748-E751 VanDerWaalsContact OG-CG 3.31Å; S748-E751 WeakPolarHBondContact OG-CG 3.36Å; S748-E751 PolarHBondContact OG-N 3.39Å; S748-E751 PolarHBondContact OG-OE2 2.72Å; S748-A752 VanDerWaalsContact O-CB 3.24Å; S748-A752 WeakPolarHBondContact O-CB 3.36Å; S748-A752 PolarHBondContact O-N 2.77Å
749	A	98.1	Very high	97.3	Very high	4 Å²	4	47.5 Å²	47.5	3%	0.033	24%	0.237	C	C	.	.	H	α-helix	trans	-64.8	-31.4	176.4	0	0	0	0	0	112.8	V585 R586 M656 L753	V585-A749 HydrophobicContact CG1-CB 4.26Å; R586-A749 HydrophobicContact CB-CB 3.67Å; R586-A749 HydrophobicContact CG-CB 4.39Å; M656-A749 HydrophobicContact CE-CB 4.12Å; M656-A749 HydrophobicContact SD-CB 3.82Å; A749-L753 VanDerWaalsContact O-CG 3.26Å; A749-L753 WeakPolarHBondContact O-CG 3.4Å; A749-L753 PolarHBondContact O-N 2.94Å; A749-L753 VanDerWaalsContact O-N 3.16Å
750	D	97.8	Very high	97.2	Very high	44 Å²	44	49.4 Å²	49.4	24%	0.235	25%	0.245	C	C	.	.	H	α-helix	trans	-75.1	-45.5	179.3	-178	59.6	0	0	0	112.9	R586 S748 A752 L753 K754	R586-D750 IonicContact CZ-OD1 2.7Å; R586-D750 IonicContact NE-OD1 3.66Å; R586-D750 IonicContact NH1-OD1 3.89Å; R586-D750 PolarHBondContact NH1-OD1 2.97Å; S748-D750 VanDerWaalsContact C-N 3.27Å; S748-D750 PolarHBondContact O-N 3.03Å; D750-A752 VanDerWaalsContact C-N 3.3Å; D750-A752 PolarHBondContact O-N 3.45Å; D750-L753 PolarHBondContact O-N 3.28Å; D750-K754 WeakPolarHBondContact O-CG 3.45Å; D750-K754 PolarHBondContact O-N 3.34Å; D750-K754 IonicContact OD1-NZ 2.67Å; D750-K754 WeakPolarHBondContact OD2-CE 3.21Å; D750-K754 IonicContact OD2-NZ 2.65Å; D750-K754 PolarHBondContact OD2-NZ 3.46Å
751	E	98.3	Very high	97	Very high	108 Å²	108	53.3 Å²	53.3	51%	0.505	27%	0.269	S	S	.	.	H	α-helix	trans	-61.6	-40.2	173.5	-66.9	161.8	121.1	0	0	111.2	I747 S748 L753 K754 H755	I747-E751 HydrophobicContact CD1-CB 3.97Å; I747-E751 HydrophobicContact CG1-CB 3.51Å; S748-E751 WeakPolarHBondContact CB-OE2 3.48Å; S748-E751 PolarHBondContact N-OE2 2.74Å; S748-E751 VanDerWaalsContact OG-CD 3.31Å; S748-E751 VanDerWaalsContact OG-CG 3.31Å; S748-E751 WeakPolarHBondContact OG-CG 3.36Å; S748-E751 PolarHBondContact OG-N 3.39Å; S748-E751 PolarHBondContact OG-OE2 2.72Å; E751-L753 VanDerWaalsContact C-N 3.34Å; E751-L753 PolarHBondContact O-N 2.95Å; E751-K754 PolarHBondContact O-N 3.31Å; E751-K754 VanDerWaalsContact O-N 3.09Å; E751-H755 PolarHBondContact O-N 3.28Å
752	A	98.5	Very high	97	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63.6	-37.2	177.5	0	0	0	0	0	112.4	L582 M656 L734 F738 I747 S748 D750 K754 H755 F758	L582-A752 HydrophobicContact CD1-CB 3.88Å; L582-A752 HydrophobicContact CD2-CB 3.75Å; L582-A752 HydrophobicContact CG-CB 4.46Å; M656-A752 HydrophobicContact CE-CB 4.44Å; L734-A752 HydrophobicContact CD1-CB 4.4Å; F738-A752 HydrophobicContact CE1-CB 3.68Å; F738-A752 HydrophobicContact CZ-CB 3.89Å; I747-A752 HydrophobicContact CD1-CB 3.97Å; I747-A752 HydrophobicContact CG1-CB 4.23Å; I747-A752 HydrophobicContact CG2-CB 4.44Å; S748-A752 VanDerWaalsContact O-CB 3.24Å; S748-A752 WeakPolarHBondContact O-CB 3.36Å; S748-A752 PolarHBondContact O-N 2.77Å; D750-A752 VanDerWaalsContact C-N 3.3Å; D750-A752 PolarHBondContact O-N 3.45Å; A752-K754 PolarHBondContact O-N 2.9Å; A752-H755 WeakPolarHBondContact O-CB 3.35Å; A752-H755 PolarHBondContact O-N 3.3Å; A752-F758 VanDerWaalsContact O-CE2 3.23Å; A752-F758 WeakPolarHBondContact O-CE2 3.31Å
753	L	98.3	Very high	97	Very high	40 Å²	40	60.4 Å²	60.4	21%	0.209	31%	0.311	C	S	.	.	H	α-helix	trans	-64.8	-20.5	174.5	-76	167.4	0	0	0	113.6	L579 L582 R583 R586 A749 D750 E751	L579-L753 HydrophobicContact CD2-CD2 3.91Å; L582-L753 HydrophobicContact CB-CD2 3.54Å; L582-L753 HydrophobicContact CB-CG 3.83Å; L582-L753 HydrophobicContact CD1-CD2 4.38Å; R583-L753 HydrophobicContact CG-CD1 4.27Å; R583-L753 HydrophobicContact CG-CD2 3.83Å; R586-L753 HydrophobicContact CB-CD1 4.19Å; A749-L753 VanDerWaalsContact O-CG 3.26Å; A749-L753 WeakPolarHBondContact O-CG 3.4Å; A749-L753 PolarHBondContact O-N 2.94Å; A749-L753 VanDerWaalsContact O-N 3.16Å; D750-L753 PolarHBondContact O-N 3.28Å; E751-L753 VanDerWaalsContact C-N 3.34Å; E751-L753 PolarHBondContact O-N 2.95Å
754	K	98.2	Very high	97.1	Very high	123 Å²	123	60.7 Å²	60.7	54%	0.535	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-1	-179.8	-64.8	163.9	178.9	173.8	0	113.2	D750 E751 A752	D750-K754 WeakPolarHBondContact O-CG 3.45Å; D750-K754 PolarHBondContact O-N 3.34Å; D750-K754 IonicContact OD1-NZ 2.67Å; D750-K754 WeakPolarHBondContact OD2-CE 3.21Å; D750-K754 IonicContact OD2-NZ 2.65Å; D750-K754 PolarHBondContact OD2-NZ 3.46Å; E751-K754 PolarHBondContact O-N 3.31Å; E751-K754 VanDerWaalsContact O-N 3.09Å; A752-K754 PolarHBondContact O-N 2.9Å
755	H	98.6	Very high	97.1	Very high	17 Å²	17	57.7 Å²	57.7	8%	0.079	29%	0.288	C	S	.	.			trans	-69.6	138.7	-171.4	-147.3	-90.5	0	0	0	113.8	D733 L734 K737 E751 A752 Y757 F758	D733-H755 IonicContact OD2-CE1 3.63Å; D733-H755 PolarHBondContact OD2-CE1 2.97Å; D733-H755 VanDerWaalsContact OD2-CE1 3.23Å; D733-H755 IonicContact OD2-NE2 3.7Å; D733-H755 PolarHBondContact OD2-NE2 3.41Å; L734-H755 HydrophobicContact CD1-CB 4.1Å; K737-H755 VanDerWaalsContact CD-NE2 3.31Å; K737-H755 WeakPolarHBondContact CD-NE2 3.44Å; K737-H755 PolarHBondContact NZ-NE2 2.91Å; E751-H755 PolarHBondContact O-N 3.28Å; A752-H755 WeakPolarHBondContact O-CB 3.35Å; A752-H755 PolarHBondContact O-N 3.3Å; H755-Y757 PolarHBondContact O-N 3.43Å; H755-F758 HydrophobicContact CB-CD2 4.16Å; H755-F758 HydrophobicContact CB-CE2 4.36Å; H755-F758 PolarHBondContact O-N 2.93Å
756	E	97.8	Very high	97	Very high	81 Å²	81	56.1 Å²	56.1	38%	0.379	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-59	-21	-179.9	-68.5	-53	133.3	0	0	114.4	Q730 F758 R759 E760	Q730-E756 HydrophobicContact CG-CB 4.36Å; E756-F758 PolarHBondContact O-N 3.25Å; E756-F758 VanDerWaalsContact O-N 3.12Å; E756-R759 WeakPolarHBondContact O-CA 3.43Å; E756-R759 WeakPolarHBondContact O-CB 3.37Å; E756-R759 PolarHBondContact O-N 3.43Å; E756-R759 WeakPolarHBondContact OE1-CD 3.25Å; E756-R759 IonicContact OE1-CZ 3.14Å; E756-R759 IonicContact OE1-NE 2.68Å; E756-R759 IonicContact OE1-NH1 2.71Å; E756-R759 PolarHBondContact OE1-NH1 3.21Å; E756-R759 WeakPolarHBondContact OE2-CD 3.42Å; E756-E760 WeakPolarHBondContact O-CG 3.01Å; E756-E760 PolarHBondContact O-N 3.1Å
757	Y	97.9	Very high	96.7	Very high	5 Å²	5	56.9 Å²	56.9	2%	0.02	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-55.1	-29.2	171.3	-179.9	-115.7	0	0	0	113	K575 F663 L727 G731 L734 H755 R759 E760	K575-Y757 HydrophobicContact CD-CE1 4.31Å; K575-Y757 WeakPolarHBondContact CD-O 3.49Å; K575-Y757 VanDerWaalsContact CE-CZ 3.42Å; K575-Y757 WeakPolarHBondContact CE-O 3.28Å; K575-Y757 HydrophobicContact CG-CD1 4.25Å; K575-Y757 HydrophobicContact CG-CE1 3.62Å; K575-Y757 PolarHBondContact NZ-O 3.22Å; F663-Y757 HydrophobicContact CE1-CE1 4.48Å; F663-Y757 AromaticContact CE2-CE1 3.83Å; F663-Y757 HydrophobicContact CE2-CE1 3.83Å; F663-Y757 HydrophobicContact CZ-CD1 4.2Å; F663-Y757 AromaticContact CZ-CE1 3.46Å; F663-Y757 HydrophobicContact CZ-CE1 3.46Å; F663-Y757 VanDerWaalsContact CZ-CE1 3.46Å; F663-Y757 AromaticContact CZ-CZ 3.71Å; L727-Y757 HydrophobicContact CD2-CE2 4.13Å; G731-Y757 VanDerWaalsContact N-CD2 3.34Å; L734-Y757 HydrophobicContact CD2-CD1 3.56Å; L734-Y757 HydrophobicContact CD2-CE1 4.43Å; L734-Y757 HydrophobicContact CD2-CG 4.1Å; H755-Y757 PolarHBondContact O-N 3.43Å; Y757-R759 VanDerWaalsContact C-N 3.33Å; Y757-E760 HydrophobicContact CD2-CG 4.43Å; Y757-E760 VanDerWaalsContact CD2-OE1 3.31Å; Y757-E760 WeakPolarHBondContact CD2-OE1 3.43Å; Y757-E760 WeakPolarHBondContact CE2-OE1 3.37Å; Y757-E760 WeakPolarHBondContact O-CG 3.29Å
758	F	97.9	Very high	96.2	Very high	17 Å²	17	60.6 Å²	60.6	8%	0.075	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-86.7	-3	177.3	-59.9	-66.7	0	0	0	113.7	K575 M578 L579 L582 L734 A752 H755 E756 P764	K575-F758 HydrophobicContact CB-CD1 4.11Å; K575-F758 HydrophobicContact CB-CE1 4.35Å; K575-F758 HydrophobicContact CG-CD1 4.16Å; K575-F758 HydrophobicContact CG-CE1 4.38Å; M578-F758 HydrophobicContact CB-CE1 3.88Å; M578-F758 HydrophobicContact CB-CZ 4.02Å; L579-F758 HydrophobicContact CD1-CB 4.37Å; L579-F758 HydrophobicContact CD1-CD1 4.02Å; L579-F758 HydrophobicContact CD1-CG 4.36Å; L579-F758 HydrophobicContact CD2-CB 4.1Å; L579-F758 HydrophobicContact CD2-CD1 3.73Å; L579-F758 HydrophobicContact CD2-CD2 3.89Å; L579-F758 HydrophobicContact CD2-CE1 4.09Å; L579-F758 HydrophobicContact CD2-CE2 4.24Å; L579-F758 HydrophobicContact CD2-CG 3.62Å; L579-F758 HydrophobicContact CD2-CZ 4.34Å; L579-F758 HydrophobicContact CG-CB 4.48Å; L579-F758 HydrophobicContact CG-CD1 3.56Å; L579-F758 HydrophobicContact CG-CE1 3.86Å; L579-F758 HydrophobicContact CG-CG 3.97Å; L582-F758 HydrophobicContact CD1-CE2 3.92Å; L582-F758 HydrophobicContact CD1-CZ 3.86Å; L734-F758 HydrophobicContact CD2-CE2 3.66Å; L734-F758 HydrophobicContact CD2-CZ 3.75Å; A752-F758 VanDerWaalsContact O-CE2 3.23Å; A752-F758 WeakPolarHBondContact O-CE2 3.31Å; H755-F758 HydrophobicContact CB-CD2 4.16Å; H755-F758 HydrophobicContact CB-CE2 4.36Å; H755-F758 PolarHBondContact O-N 2.93Å; E756-F758 PolarHBondContact O-N 3.25Å; E756-F758 VanDerWaalsContact O-N 3.12Å; F758-P764 WeakPolarHBondContact O-CD 3.49Å
759	R	96.3	Very high	95.7	Very high	159 Å²	159	64.6 Å²	64.6	60%	0.6	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110	-29.8	-179.8	-66.6	170.1	169.7	178.4	-4	113.1	E756 Y757 L763	E756-R759 WeakPolarHBondContact O-CA 3.43Å; E756-R759 WeakPolarHBondContact O-CB 3.37Å; E756-R759 PolarHBondContact O-N 3.43Å; E756-R759 WeakPolarHBondContact OE1-CD 3.25Å; E756-R759 IonicContact OE1-CZ 3.14Å; E756-R759 IonicContact OE1-NE 2.68Å; E756-R759 IonicContact OE1-NH1 2.71Å; E756-R759 PolarHBondContact OE1-NH1 3.21Å; E756-R759 WeakPolarHBondContact OE2-CD 3.42Å; Y757-R759 VanDerWaalsContact C-N 3.33Å; R759-L763 WeakPolarHBondContact O-CD2 3.42Å
760	E	95	Very high	95.2	Very high	47 Å²	47	65 Å²	65	22%	0.22	34%	0.336	C	S	.	.	S	Bend	trans	-70	153.5	172.7	50.6	133.9	-117.6	0	0	113.9	K575 S728 Q730 E756 Y757 P762	K575-E760 PolarHBondContact NZ-O 3.43Å; K575-E760 IonicContact NZ-OE1 3.2Å; K575-E760 PolarHBondContact NZ-OE1 2.99Å; S728-E760 WeakPolarHBondContact CB-OE2 3.38Å; S728-E760 VanDerWaalsContact OG-CD 3.23Å; S728-E760 PolarHBondContact OG-OE1 3.46Å; S728-E760 PolarHBondContact OG-OE2 2.7Å; Q730-E760 HydrophobicContact CB-CG 4.33Å; E756-E760 WeakPolarHBondContact O-CG 3.01Å; E756-E760 PolarHBondContact O-N 3.1Å; Y757-E760 HydrophobicContact CD2-CG 4.43Å; Y757-E760 VanDerWaalsContact CD2-OE1 3.31Å; Y757-E760 WeakPolarHBondContact CD2-OE1 3.43Å; Y757-E760 WeakPolarHBondContact CE2-OE1 3.37Å; Y757-E760 WeakPolarHBondContact O-CG 3.29Å; E760-P762 CarbonylContact O-C 3.6Å; E760-P762 VanDerWaalsContact O-O 3.08Å
761	T	93.1	Very high	94.5	Very high	120 Å²	120	65.8 Å²	65.8	74%	0.736	34%	0.343	S	S	*	.	S	Bend	trans	-74.7	142.6	176.5	50.8	0	0	0	0	112.8
762	P	94.8	Very high	93.6	Very high	71 Å²	71	65.8 Å²	65.8	46%	0.461	35%	0.351	S	S	.	.	S	Bend	cis	-70.3	141.6	-5.1	30.6	-35.8	0	0	0	111	P571 K575 E760	P571-P762 HydrophobicContact CB-CG 3.85Å; K575-P762 VanDerWaalsContact CD-O 3.26Å; K575-P762 WeakPolarHBondContact CD-O 3.47Å; K575-P762 WeakPolarHBondContact CE-O 3.39Å; K575-P762 PolarHBondContact NZ-O 2.71Å; E760-P762 CarbonylContact O-C 3.6Å; E760-P762 VanDerWaalsContact O-O 3.08Å
763	L	96.4	Very high	92.8	Very high	97 Å²	97	68 Å²	68	51%	0.508	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-70.7	161.9	179.6	-70.2	175	0	0	0	111.7	G572 R759 I765	G572-L763 VanDerWaalsContact CA-O 3.27Å; G572-L763 WeakPolarHBondContact CA-O 3.35Å; R759-L763 WeakPolarHBondContact O-CD2 3.42Å; L763-I765 PolarHBondContact O-N 3.17Å
764	P	96.5	Very high	91.9	Very high	40 Å²	40	70.6 Å²	70.6	26%	0.26	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-55.3	132.2	164	-14.6	25.8	0	0	0	110.2	K575 T576 L579 F758	K575-P764 HydrophobicContact CB-CB 4.12Å; K575-P764 HydrophobicContact CB-CG 4.05Å; T576-P764 WeakPolarHBondContact OG1-CA 3.47Å; T576-P764 WeakPolarHBondContact OG1-CB 3.43Å; L579-P764 HydrophobicContact CD1-CB 3.9Å; L579-P764 HydrophobicContact CD1-CG 3.59Å; F758-P764 WeakPolarHBondContact O-CD 3.49Å
765	I	95.2	Very high	90.8	Very high	48 Å²	48	65 Å²	65	25%	0.246	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-81.4	155.8	174.4	71.8	166.1	0	0	0	111.3	G572 E573 T576 L763 M769 F770	G572-I765 PolarHBondContact O-N 3.13Å; E573-I765 HydrophobicContact CG-CD1 3.57Å; E573-I765 HydrophobicContact CG-CG1 4.26Å; T576-I765 VanDerWaalsContact CG2-O 3.3Å; T576-I765 WeakPolarHBondContact CG2-O 3.43Å; T576-I765 PolarHBondContact OG1-N 2.7Å; T576-I765 PolarHBondContact OG1-O 3.46Å; L763-I765 PolarHBondContact O-N 3.17Å; I765-M769 HydrophobicContact CB-CE 4.17Å; I765-M769 HydrophobicContact CD1-CB 4.13Å; I765-F770 HydrophobicContact CD1-CD2 3.8Å; I765-F770 HydrophobicContact CD1-CE2 3.84Å; I765-F770 HydrophobicContact CG1-CD2 4.1Å; I765-F770 HydrophobicContact CG1-CE2 3.72Å
766	D	93.1	Very high	89.7	Confident	87 Å²	87	67.9 Å²	67.9	47%	0.465	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-63.1	138.5	169.4	-172.1	-89.9	0	0	0	111	S768 M769	D766-S768 PolarHBondContact O-N 3.32Å; D766-S768 VanDerWaalsContact O-N 3.13Å; D766-S768 VanDerWaalsContact OD1-CB 3.23Å; D766-S768 WeakPolarHBondContact OD1-CB 3.38Å; D766-S768 PolarHBondContact OD1-N 3Å; D766-S768 PolarHBondContact OD1-OG 3.35Å; D766-M769 HydrophobicContact CB-CE 3.79Å; D766-M769 WeakPolarHBondContact O-CB 3.18Å; D766-M769 PolarHBondContact O-N 3.37Å
767	P	91.9	Very high	88.4	Confident	29 Å²	29	65 Å²	65	19%	0.188	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-54	-30.2	177.9	-28.7	36.6	0	0	0	115	T576 K608 G609 I610 M769 F770	T576-P767 HydrophobicContact CG2-CG 4.1Å; K608-P767 CarbonylContact C-O 3.53Å; K608-P767 CarbonylContact O-C 3.41Å; K608-P767 VanDerWaalsContact O-CB 3.31Å; K608-P767 WeakPolarHBondContact O-CB 3.38Å; K608-P767 VanDerWaalsContact O-O 3.12Å; G609-P767 WeakPolarHBondContact CA-O 3.45Å; G609-P767 PolarHBondContact N-O 3.02Å; I610-P767 HydrophobicContact CD1-CB 3.76Å; I610-P767 HydrophobicContact CD1-CG 4.1Å; P767-M769 PolarHBondContact O-N 2.72Å; P767-F770 WeakPolarHBondContact O-CB 3.42Å; P767-F770 WeakPolarHBondContact O-CD2 3.42Å; P767-F770 PolarHBondContact O-N 3.29Å
768	S	88	Confident	87.3	Confident	94 Å²	94	68.5 Å²	68.5	66%	0.657	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-69.1	-15.2	176.9	66.6	0	0	0	0	114.3	D766	D766-S768 PolarHBondContact O-N 3.32Å; D766-S768 VanDerWaalsContact O-N 3.13Å; D766-S768 VanDerWaalsContact OD1-CB 3.23Å; D766-S768 WeakPolarHBondContact OD1-CB 3.38Å; D766-S768 PolarHBondContact OD1-N 3Å; D766-S768 PolarHBondContact OD1-OG 3.35Å
769	M	88.3	Confident	85.9	Confident	126 Å²	126	73.1 Å²	73.1	62%	0.621	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-89.5	1.5	175.1	-65.7	-167.7	-76.9	0	0	113.5	I765 D766 P767	I765-M769 HydrophobicContact CB-CE 4.17Å; I765-M769 HydrophobicContact CD1-CB 4.13Å; D766-M769 HydrophobicContact CB-CE 3.79Å; D766-M769 WeakPolarHBondContact O-CB 3.18Å; D766-M769 PolarHBondContact O-N 3.37Å; P767-M769 PolarHBondContact O-N 2.72Å
770	F	87.5	Confident	83.8	Confident	12 Å²	12	73.2 Å²	73.2	5%	0.053	40%	0.402	C	S	.	.	S	Bend	trans	-66.3	141.4	173.2	-87.8	-112	0	0	0	111.5	F569 E573 T576 L577 L605 I765 P767 W773	F569-F770 HydrophobicContact CD1-CE1 4.45Å; F569-F770 HydrophobicContact CE1-CE1 4.25Å; E573-F770 HydrophobicContact CB-CE1 3.95Å; E573-F770 HydrophobicContact CB-CZ 3.79Å; E573-F770 HydrophobicContact CG-CE1 4.23Å; E573-F770 HydrophobicContact CG-CZ 4.16Å; T576-F770 HydrophobicContact CG2-CE2 3.74Å; T576-F770 HydrophobicContact CG2-CZ 4.19Å; L577-F770 HydrophobicContact CD1-CE1 4.29Å; L577-F770 HydrophobicContact CD2-CE1 3.79Å; L577-F770 HydrophobicContact CD2-CZ 3.98Å; L577-F770 HydrophobicContact CG-CE1 3.93Å; L577-F770 HydrophobicContact CG-CZ 3.93Å; L605-F770 HydrophobicContact CD2-CD1 4.42Å; I765-F770 HydrophobicContact CD1-CD2 3.8Å; I765-F770 HydrophobicContact CD1-CE2 3.84Å; I765-F770 HydrophobicContact CG1-CD2 4.1Å; I765-F770 HydrophobicContact CG1-CE2 3.72Å; P767-F770 WeakPolarHBondContact O-CB 3.42Å; P767-F770 WeakPolarHBondContact O-CD2 3.42Å; P767-F770 PolarHBondContact O-N 3.29Å; F770-W773 HydrophobicContact CD1-CH2 4.14Å; F770-W773 HydrophobicContact CD1-CZ3 4.26Å
771	P	81.9	Confident	81.6	Confident	60 Å²	60	82.7 Å²	82.7	39%	0.39	44%	0.436	S	S	.	.			trans	-58	144.7	169.7	-22.4	31.6	0	0	0	112.6	E573 W773	E573-P771 WeakPolarHBondContact OE1-CD 3.23Å; P771-W773 HydrophobicContact CB-CD2 4.42Å; P771-W773 HydrophobicContact CB-CH2 3.99Å; P771-W773 HydrophobicContact CB-CZ2 3.71Å; P771-W773 HydrophobicContact CB-CZ3 4.48Å; P771-W773 HydrophobicContact CG-CH2 4.02Å; P771-W773 HydrophobicContact CG-CZ2 3.8Å; P771-W773 WeakPolarHBondContact O-CZ3 3.35Å
772	T	79.8	Confident	79.2	Confident	108 Å²	108	81.9 Å²	81.9	66%	0.663	43%	0.43	S	S	*	.			trans	-89.8	112.9	169.8	54.4	0	0	0	0	110.6	H607	H607-T772 HydrophobicContact CB-CG2 4.41Å
773	W	82.1	Confident	76.9	Confident	46 Å²	46	87.9 Å²	87.9	17%	0.174	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-93.2	148.5	173.5	-59.7	-85.6	0	0	0	111.3	H556 L561 M565 F569 L605 H607 F770 P771 A775	H556-W773 WeakPolarHBondContact NE2-CB 3.5Å; H556-W773 PolarHBondContact NE2-O 3.3Å; L561-W773 HydrophobicContact CD1-CB 3.73Å; L561-W773 HydrophobicContact CD1-CD2 3.58Å; L561-W773 HydrophobicContact CD1-CE3 4.01Å; L561-W773 HydrophobicContact CD1-CG 3.44Å; L561-W773 VanDerWaalsContact CD1-CG 3.44Å; L561-W773 HydrophobicContact CD2-CD2 4.19Å; L561-W773 HydrophobicContact CD2-CE3 3.77Å; L561-W773 HydrophobicContact CD2-CZ3 4.04Å; L561-W773 HydrophobicContact CG-CD2 4.44Å; L561-W773 HydrophobicContact CG-CE3 4.5Å; M565-W773 HydrophobicContact CE-CZ2 3.99Å; F569-W773 HydrophobicContact CD1-CH2 4.34Å; F569-W773 AromaticContact CE1-CH2 3.62Å; F569-W773 HydrophobicContact CE1-CH2 3.62Å; F569-W773 HydrophobicContact CE1-CZ2 4.14Å; F569-W773 HydrophobicContact CE1-CZ3 4.31Å; F569-W773 HydrophobicContact CZ-CH2 4.47Å; L605-W773 HydrophobicContact CD2-CZ3 3.98Å; H607-W773 PolarHBondContact CE1-O 3.02Å; F770-W773 HydrophobicContact CD1-CH2 4.14Å; F770-W773 HydrophobicContact CD1-CZ3 4.26Å; P771-W773 HydrophobicContact CB-CD2 4.42Å; P771-W773 HydrophobicContact CB-CH2 3.99Å; P771-W773 HydrophobicContact CB-CZ2 3.71Å; P771-W773 HydrophobicContact CB-CZ3 4.48Å; P771-W773 HydrophobicContact CG-CH2 4.02Å; P771-W773 HydrophobicContact CG-CZ2 3.8Å; P771-W773 WeakPolarHBondContact O-CZ3 3.35Å; W773-A775 PolarHBondContact O-N 3.12Å
774	P	78.8	Confident	74.4	Confident	96 Å²	96	94.7 Å²	94.7	62%	0.623	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-75.3	120	178.2	29.2	-33.8	0	0	0	111.4	H556 K776 Q779	H556-P774 PolarHBondContact NE2-O 2.85Å; P774-K776 PolarHBondContact O-N 3.03Å; P774-Q779 PolarHBondContact O-NE2 2.99Å
775	A	76.3	Confident	72	Confident	4 Å²	4	95.7 Å²	95.7	3%	0.033	49%	0.486	C	S	.	.	P	Polyproline II helix	trans	-62.1	123.7	-175.6	0	0	0	0	0	113.9	E555 H556 W773 S777 E778 Q779	E555-A775 HydrophobicContact CB-CB 4.12Å; E555-A775 VanDerWaalsContact O-CB 3.27Å; E555-A775 WeakPolarHBondContact O-CB 2.97Å; H556-A775 VanDerWaalsContact NE2-CA 3.3Å; H556-A775 WeakPolarHBondContact NE2-CA 3.33Å; H556-A775 PolarHBondContact NE2-N 3.15Å; W773-A775 PolarHBondContact O-N 3.12Å; A775-S777 PolarHBondContact O-N 3.19Å; A775-E778 HydrophobicContact CB-CB 4.02Å; A775-E778 HydrophobicContact CB-CG 3.7Å; A775-E778 PolarHBondContact O-N 2.62Å; A775-Q779 WeakPolarHBondContact O-CG 3.41Å; A775-Q779 PolarHBondContact O-N 3.27Å
776	K	74.3	Confident	69.8	Low	78 Å²	78	100 Å²	100	34%	0.339	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-34.8	177.8	-67.9	-174.2	-174.2	175.6	0	112.4	S560 P774 E778	S560-K776 VanDerWaalsContact O-CE 3.26Å; S560-K776 WeakPolarHBondContact O-CE 3.48Å; S560-K776 PolarHBondContact O-NZ 3.37Å; S560-K776 PolarHBondContact OG-NZ 3.09Å; P774-K776 PolarHBondContact O-N 3.03Å; K776-E778 VanDerWaalsContact C-N 3.3Å; K776-E778 PolarHBondContact O-N 3.17Å
777	S	70.5	Confident	67.4	Low	22 Å²	22	100.7 Å²	100.7	15%	0.154	53%	0.526	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-14.6	177.8	37	0	0	0	0	114.1	N477 Y553 E555 A775	N477-S777 PolarHBondContact ND2-O 3.16Å; N477-S777 PolarHBondContact OD1-O 3.27Å; Y553-S777 WeakPolarHBondContact OH-CB 3.35Å; Y553-S777 PolarHBondContact OH-OG 3.14Å; E555-S777 PolarHBondContact O-OG 3.05Å; A775-S777 PolarHBondContact O-N 3.19Å
778	E	75.7	Confident	65.7	Low	78 Å²	78	104.9 Å²	104.9	36%	0.364	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-106.5	-19.4	177.3	-54.8	-158.9	152.5	0	0	112.9	R489 Y553 A775 K776 Q780	R489-E778 IonicContact CZ-OE1 4Å; R489-E778 VanDerWaalsContact CZ-OE1 3.26Å; R489-E778 IonicContact NE-OE1 3Å; R489-E778 PolarHBondContact NE-OE1 3.07Å; R489-E778 VanDerWaalsContact NH2-CD 3.29Å; R489-E778 IonicContact NH2-OE1 3.78Å; R489-E778 PolarHBondContact NH2-OE1 3.25Å; Y553-E778 VanDerWaalsContact CE1-OE1 3.27Å; Y553-E778 WeakPolarHBondContact CE1-OE1 3.48Å; Y553-E778 VanDerWaalsContact OH-CG 3.31Å; Y553-E778 WeakPolarHBondContact OH-CG 3.2Å; Y553-E778 PolarHBondContact OH-OE1 3.17Å; A775-E778 HydrophobicContact CB-CB 4.02Å; A775-E778 HydrophobicContact CB-CG 3.7Å; A775-E778 PolarHBondContact O-N 2.62Å; K776-E778 VanDerWaalsContact C-N 3.3Å; K776-E778 PolarHBondContact O-N 3.17Å; E778-Q780 PolarHBondContact O-N 2.75Å
779	Q	68.6	Low	64.1	Low	113 Å²	113	111.2 Å²	111.2	53%	0.528	56%	0.563	S	S	.	*	S	Bend	trans	-62.6	82.1	165.1	-68.1	167.2	36.3	0	0	109.7	P774 A775 R781	P774-Q779 PolarHBondContact O-NE2 2.99Å; A775-Q779 WeakPolarHBondContact O-CG 3.41Å; A775-Q779 PolarHBondContact O-N 3.27Å; Q779-R781 PolarHBondContact O-N 3.39Å
780	Q	52.3	Low	62.4	Low	161 Å²	161	110.6 Å²	110.6	75%	0.752	57%	0.568	S	S	*	*			trans	-48.9	131.5	165.4	-75.7	-169.6	-10	0	0	108.2	E778 V782	E778-Q780 PolarHBondContact O-N 2.75Å; Q780-V782 HydrophobicContact CB-CG2 4.21Å; Q780-V782 PolarHBondContact O-N 3.12Å
781	R	48.2	Very low	61	Low	247 Å²	247	115.9 Å²	115.9	93%	0.932	60%	0.604	S	S	*	*			trans	-65.2	78	154	-96	-178	154.5	-169.5	-4.8	107.6	Q779 K783	Q779-R781 PolarHBondContact O-N 3.39Å; R781-K783 PolarHBondContact O-N 3.14Å
782	V	42.4	Very low	59.9	Low	103 Å²	103	122.6 Å²	122.6	62%	0.624	63%	0.63	S	S	*	*			trans	-54.6	100	157.1	179.7	0	0	0	0	104.5	Q780 R784	Q780-V782 HydrophobicContact CB-CG2 4.21Å; Q780-V782 PolarHBondContact O-N 3.12Å; V782-R784 VanDerWaalsContact C-N 3.31Å; V782-R784 PolarHBondContact O-N 3.35Å
783	K	47.5	Very low	58.7	Low	196 Å²	196	120.6 Å²	120.6	85%	0.852	63%	0.631	S	S	*	*			trans	-50.2	110.2	156	-69	177	-178.8	174	0	103	R781 G785	R781-K783 PolarHBondContact O-N 3.14Å; K783-G785 VanDerWaalsContact C-N 3.31Å; K783-G785 PolarHBondContact O-N 2.79Å
784	R	44	Very low	57	Low	240 Å²	240	121.8 Å²	121.8	91%	0.906	66%	0.657	S	S	*	*			trans	-54.2	106.1	176.9	-79.2	-175	175.5	-178.6	-2.2	105.4	V782 T786	V782-R784 VanDerWaalsContact C-N 3.31Å; V782-R784 PolarHBondContact O-N 3.35Å; R784-T786 PolarHBondContact O-N 3.49Å
785	G	44.8	Very low	55.5	Low	62 Å²	62	125.3 Å²	125.3	64%	0.639	67%	0.67	S	S	*	*			trans	-52.9	133.1	174.1	0	0	0	0	0	105.7	K783 S787	K783-G785 VanDerWaalsContact C-N 3.31Å; K783-G785 PolarHBondContact O-N 2.79Å; G785-S787 PolarHBondContact O-N 3.07Å
786	T	49.1	Very low	54.2	Low	139 Å²	139	128.1 Å²	128.1	85%	0.853	70%	0.699	S	S	*	*			trans	-49.6	114.6	173.5	42.3	0	0	0	0	106.9	R784	R784-T786 PolarHBondContact O-N 3.49Å
787	S	43.7	Very low	52.9	Low	101 Å²	101	133.4 Å²	133.4	71%	0.706	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-47.8	134.4	-179	-174.7	0	0	0	0	107.9	G785 R789	G785-S787 PolarHBondContact O-N 3.07Å; S787-R789 PolarHBondContact O-N 3.48Å; S787-R789 VanDerWaalsContact O-N 3.09Å
788	P	56.6	Low	51.7	Low	116 Å²	116	138 Å²	138	75%	0.753	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-46.8	125.4	178.5	-28.4	35.1	0	0	0	109
789	R	54.3	Low	50.4	Low	228 Å²	228	143 Å²	143	86%	0.86	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-58.4	131.1	179.7	-74.3	-173.8	176.4	-171.2	-0.4	107.3	S787	S787-R789 PolarHBondContact O-N 3.48Å; S787-R789 VanDerWaalsContact O-N 3.09Å
790	P	51.8	Low	49.1	Very low	112 Å²	112	143.8 Å²	143.8	73%	0.727	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-59	147.1	173.4	26.5	-33.9	0	0	0	109.2
791	P	59.1	Low	48.3	Very low	124 Å²	124	139.6 Å²	139.6	81%	0.805	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-56.7	142.9	-178.1	-26	34.9	0	0	0	112.9	G793	P791-G793 PolarHBondContact O-N 2.97Å
792	E	57.6	Low	48.2	Very low	201 Å²	201	135.9 Å²	135.9	94%	0.939	78%	0.779	S	S	*	*	S	Bend	trans	-73.2	76.9	174.6	-67.9	-175.6	142.2	0	0	110.6
793	G	54.6	Low	48.3	Very low	66 Å²	66	138 Å²	138	68%	0.68	79%	0.787	S	S	*	*			trans	-130.9	7.4	-177.6	0	0	0	0	0	115.3	P791 L795	P791-G793 PolarHBondContact O-N 2.97Å; G793-L795 PolarHBondContact O-N 3.28Å
794	G	47.6	Very low	47.9	Very low	70 Å²	70	135.7 Å²	135.7	72%	0.722	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	6.4	-167.9	0	0	0	0	0	117.6
795	L	47.4	Very low	47.7	Very low	171 Å²	171	131.4 Å²	131.4	90%	0.895	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	0.4	-172.3	-69.4	175.2	0	0	0	115.1	G793	G793-L795 PolarHBondContact O-N 3.28Å
796	G	47.3	Very low	47.6	Very low	62 Å²	62	137.9 Å²	137.9	64%	0.639	79%	0.789	S	S	*	*	S	Bend	trans	-86.1	-17	-176.9	0	0	0	0	0	116.2
797	Y	47.2	Very low	47.3	Very low	190 Å²	190	138.5 Å²	138.5	75%	0.745	79%	0.787	S	S	*	*	S	Bend	trans	-92.7	-1.2	-165.3	-128.5	-88	0	0	0	115.7	Q799 L800	Y797-Q799 PolarHBondContact O-N 3.3Å; Y797-L800 HydrophobicContact CE1-CD1 4.48Å
798	S	46.1	Very low	46.9	Very low	117 Å²	117	139.6 Å²	139.6	82%	0.818	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	17.9	178.8	-48.9	0	0	0	0	114
799	Q	47.2	Very low	45.7	Very low	184 Å²	184	137.8 Å²	137.8	86%	0.86	79%	0.792	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.5	13.2	-169.3	-126.1	175.3	22.3	0	0	115.1	Y797	Y797-Q799 PolarHBondContact O-N 3.3Å
800	L	41.3	Very low	44.5	Very low	129 Å²	129	137 Å²	137	68%	0.675	80%	0.795	S	S	*	*	S	Bend	trans	-103.9	131	161.2	-69.4	172.1	0	0	0	108	Y797	Y797-L800 HydrophobicContact CE1-CD1 4.48Å
801	G	36.2	Very low	43.6	Very low	73 Å²	73	139.5 Å²	139.5	75%	0.753	80%	0.797	S	S	*	*			trans	-74.7	154.7	-175.7	0	0	0	0	0	112.9	D803	G801-D803 PolarHBondContact O-N 2.63Å
802	D	46.2	Very low	42.2	Very low	169 Å²	169	141 Å²	141	90%	0.904	80%	0.797	S	S	*	*	S	Bend	trans	-83.7	80.7	171.9	-172.7	29.6	0	0	0	109.3
803	D	44.2	Very low	41	Very low	149 Å²	149	137.2 Å²	137.2	80%	0.797	79%	0.788	S	S	*	*			trans	-153.6	138.9	168.8	-97.3	-42.2	0	0	0	109.8	G801	G801-D803 PolarHBondContact O-N 2.63Å
804	D	40.3	Very low	40	Very low	146 Å²	146	140.1 Å²	140.1	78%	0.781	79%	0.792	S	S	*	*			trans	42.1	98.5	169.8	-73.6	-30.1	0	0	0	119.7
805	L	40.1	Very low	39.3	Very low	151 Å²	151	142.3 Å²	142.3	79%	0.791	80%	0.797	S	S	*	*				-163.3	127.1	104.3	-126.6	74.1	0	0	0	112.7
806	K	41.1	Very low	38.8	Very low	197 Å²	197	141.2 Å²	141.2	86%	0.857	79%	0.792	S	S	*	*			trans	-95.7	157.1	155.5	-70.8	177.9	-178.8	172.7	0	108.7
807	D	42.8	Very low	38.2	Very low	152 Å²	152	146.9 Å²	146.9	81%	0.813	81%	0.807	S	S	*	*			trans	53.9	93.4	-178.7	-74.2	-36	0	0	0	116.2
808	T	37	Very low	37.5	Very low	124 Å²	124	141.2 Å²	141.2	76%	0.761	81%	0.806	S	S	*	*				-171	112.3	120.4	17.1	0	0	0	0	110.5
809	G	30.9	Very low	36.8	Very low	78 Å²	78	140.2 Å²	140.2	80%	0.804	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-77.4	130.2	172.3	0	0	0	0	0	111.1
810	F	28.8	Very low	36.3	Very low	211 Å²	211	137.4 Å²	137.4	93%	0.925	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-82.2	120.8	176.2	-118.6	-91.6	0	0	0	111.5
811	H	32.1	Very low	36	Very low	166 Å²	166	135.2 Å²	135.2	77%	0.769	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-70.1	136.2	-179.7	-117	-77.8	0	0	0	111.7
812	L	30.2	Very low	36.1	Very low	154 Å²	154	138.9 Å²	138.9	81%	0.806	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-91.4	131.3	151.7	-149.4	78	0	0	0	108
813	T	31.5	Very low	35.4	Very low	123 Å²	123	133.8 Å²	133.8	76%	0.755	80%	0.801	S	S	*	*			trans	-92	112.3	-177.3	40.3	0	0	0	0	111.3
814	T	34	Very low	35.1	Very low	126 Å²	126	133.1 Å²	133.1	77%	0.773	81%	0.805	S	S	*	*			trans	-110.3	113.7	169.7	44	0	0	0	0	110.4	N816	T814-N816 PolarHBondContact O-N 3.47Å; T814-N816 VanDerWaalsContact O-N 3.09Å
815	S	34	Very low	34.6	Very low	117 Å²	117	129.7 Å²	129.7	82%	0.818	80%	0.804	S	S	*	*			trans	-84.4	83.3	-173.3	-60	0	0	0	0	113.3
816	N	36.2	Very low	34.2	Very low	148 Å²	148	133 Å²	133	79%	0.791	81%	0.812	S	S	*	*			trans	54.7	154.8	146.3	-74	-19.1	0	0	0	122.8	T814	T814-N816 PolarHBondContact O-N 3.47Å; T814-N816 VanDerWaalsContact O-N 3.09Å
817	L	34.5	Very low	33.7	Very low	180 Å²	180	129.2 Å²	129.2	94%	0.942	81%	0.81	S	S	*	*			trans	79.3	106.6	166.6	-59.2	137.8	0	0	0	116.4
818	G	32.4	Very low	33.2	Very low	72 Å²	72	129.5 Å²	129.5	74%	0.742	81%	0.811	S	S	*	*			cis	172.2	160.2	-8.1	0	0	0	0	0	113.7
819	A	32.5	Very low	33	Very low	95 Å²	95	133.1 Å²	133.1	79%	0.785	82%	0.816	S	S	*	*			trans	52.8	102.9	168.8	0	0	0	0	0	117.9
820	S	35.8	Very low	33.2	Very low	125 Å²	125	142.9 Å²	142.9	87%	0.874	84%	0.837	S	S	*	*				79.2	134.1	93.6	-79.2	0	0	0	0	115.8
821	A	36.1	Very low	33.4	Very low	84 Å²	84	139.5 Å²	139.5	69%	0.694	83%	0.833	S	S	*	*			cis	-162.7	173	-4.1	0	0	0	0	0	112.7
822	V	36.7	Very low	33.5	Very low	149 Å²	149	138.1 Å²	138.1	90%	0.903	84%	0.836	S	S	*	*			trans	75.4	127.3	167	-164.5	0	0	0	0	116.9
823	G	32.2	Very low	33.7	Very low	62 Å²	62	137.2 Å²	137.2	64%	0.639	84%	0.838	S	S	*	*			trans	-105.1	-140.3	173.6	0	0	0	0	0	112.7
824	P	38.1	Very low	33.8	Very low	136 Å²	136	138 Å²	138	88%	0.883	84%	0.843	S	S	*	*			cis	-120.2	139.8	32.6	37.3	-26.2	0	0	0	115.3
825	G	29.5	Very low	33.8	Very low	73 Å²	73	138.8 Å²	138.8	75%	0.753	85%	0.847	S	S	*	*			trans	-109.5	147	166.7	0	0	0	0	0	111.3
826	F	31.9	Very low	33.8	Very low	221 Å²	221	140.2 Å²	140.2	97%	0.969	85%	0.849	S	S	*	*			trans	-70.4	147.6	178.4	-79.2	-109	0	0	0	111.9
827	S	30.3	Very low	33.6	Very low	117 Å²	117	139.6 Å²	139.6	82%	0.818	85%	0.853	S	S	*	*			trans	-127.2	127.5	166.6	-175	0	0	0	0	109.6
828	L	32.5	Very low	33.5	Very low	158 Å²	158	136.5 Å²	136.5	83%	0.827	85%	0.846	S	S	*	*			trans	-83.8	139.3	170.4	-75.8	112.3	0	0	0	109.7
829	K	33.1	Very low	33.6	Very low	201 Å²	201	141.9 Å²	141.9	87%	0.874	86%	0.855	S	S	*	*			trans	-86.6	143.5	157.6	-71	-174.8	175.3	-177.5	0	109
830	F	34.9	Very low	33.7	Very low	282 Å²	282	146.2 Å²	146.2	100%	1.237	86%	0.861	S	S	*	*			trans	-77.8	0	166.7	-73.5	-93	0	0	0	110.3

Retrieved 830 of 830 residues in 362.3 ms (Link to these results)

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