MSH5_HUMAN Loading...

MutS protein homolog 5

Involved in DNA mismatch repair and meiotic recombination processes. Facilitates crossovers between homologs during meiosis (By similarity).

AlphaFold DB , UniProt , Accession O43196, Species HUMAN (Homo sapiens, Human), Gene MSH5, Length 834 aa.

						>MSH5_HUMAN|O43196|MSH5
MASLGANPRRTPQGPRPGAASSGFPSPAPVPGPREAEEEEVEEEEELAEIHLCVLWNSGYLGIAYYDTSDSTIHFMPDAPDHESLKLLQRVLDEINPQSVVTSAKQDENMTRFLGKLASQEHREPKRPEIIFLPSVDFGLEISKQRLLSGNYSFIPDAMTATEKILFLSSIIPFDCLLTVRALGGLLKFLGRRRIGVELEDYNVSVPILGFKKFMLTHLVNIDQDTYSVLQIFKSESHPSVYKVASGLKEGLSLFGILNRCHCKWGEKLLRLWFTRPTHDLGELSSRLDVIQFFLLPQNLDMAQMLHRLLGHIKNVPLILKRMKLSHTKVSDWQVLYKTVYSALGLRDACRSLPQSIQLFRDIAQEFSDDLHHIASLIGKVVDFEGSLAENRFTVLPNIDPEIDEKKRRLMGLPSFLTEVARKELENLDSRIPSCSVIYIPLIGFLLSIPRLPSMVEASDFEINGLDFMFLSEEKLHYRSARTKELDALLGDLHCEIRDQETLLMYQLQCQVLARAAVLTRVLDLASRLDVLLALASAARDYGYSRPRYSPQVLGVRIQNGRHPLMELCARTFVPNSTECGGDKGRVKVITGPNSSGKSIYLKQVGLITFMALVGSFVPAEEAEIGAVDAIFTRIHSCESISLGLSTFMIDLNQVAKAVNNATAQSLVLIDEFGKGTNTVDGLALLAAVLRHWLARGPTCPHIFVATNFLSLVQLQLLPQGPLVQYLTMETCEDGNDLVFFYQVCEGVAKASHASHTAAQAGLPDKLVARGKEVSDLIRSGKPIKPVKDLLKKNQMENCQTLVDKFMKLDLEDPNLDLNVFMSQEVLPAATSIL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.6	Very low	32.5	Very low	251 Å²	251	154.2 Å²	154.2	100%	1.236	87%	0.867	S	S	*	*				0	126.7	0	-81.5	-179.2	174.2	0	0	107.9
2	A	34.8	Very low	32.4	Very low	92 Å²	92	151.8 Å²	151.8	76%	0.76	86%	0.862	S	S	*	*			trans	-83.4	153.9	180	0	0	0	0	0	111.1
3	S	28	Very low	32	Very low	96 Å²	96	155.5 Å²	155.5	67%	0.671	87%	0.868	S	S	*	*			trans	93.1	137.5	132.7	83.6	0	0	0	0	119.9
4	L	33.4	Very low	31.8	Very low	169 Å²	169	149 Å²	149	89%	0.885	85%	0.853	S	S	*	*			trans	80.5	113.2	152	-56	153.5	0	0	0	114.5
5	G	27.6	Very low	31.9	Very low	81 Å²	81	147.8 Å²	147.8	84%	0.835	85%	0.853	S	S	*	*			cis	108.8	88.3	37.7	0	0	0	0	0	108.1
6	A	34.7	Very low	31.6	Very low	105 Å²	105	153.4 Å²	153.4	87%	0.868	86%	0.856	S	S	*	*			trans	-142.2	129.2	170.7	0	0	0	0	0	110.9
7	N	31.4	Very low	31.8	Very low	164 Å²	164	151.7 Å²	151.7	88%	0.877	85%	0.853	S	S	*	*			trans	-70.6	166.4	-165.4	-105.2	-24.9	0	0	0	115.4
8	P	33.4	Very low	31.6	Very low	112 Å²	112	147.6 Å²	147.6	73%	0.727	85%	0.85	S	S	*	*			trans	-89.8	140.4	-159.4	35.4	-34.5	0	0	0	113.3
9	R	34.1	Very low	31.5	Very low	246 Å²	246	144.7 Å²	144.7	93%	0.928	85%	0.846	S	S	*	*			trans	-89.6	113.1	164.5	-79.4	-175.6	174.5	-177.7	-1.2	109.7
10	R	26.9	Very low	31.4	Very low	247 Å²	247	142.6 Å²	142.6	93%	0.932	85%	0.845	S	S	*	*			trans	-64.3	125.4	165.1	-75	173.5	166.9	176	-4.3	109.6
11	T	33.7	Very low	31.2	Very low	133 Å²	133	140.7 Å²	140.7	82%	0.816	84%	0.839	S	S	*	*			trans	-131.7	146.6	158.5	36.9	0	0	0	0	109.5
12	P	31.4	Very low	30.7	Very low	125 Å²	125	133.8 Å²	133.8	81%	0.812	82%	0.816	S	S	*	*			trans	-87	157.3	-148.9	34.4	-34.1	0	0	0	114	G14	P12-G14 PolarHBondContact O-N 3.12Å
13	Q	26.8	Very low	30.4	Very low	201 Å²	201	132.6 Å²	132.6	94%	0.939	81%	0.813	S	S	*	*			trans	-59	114.5	-177.2	-65.7	169	-11.9	0	0	112.3
14	G	30.1	Very low	30.2	Very low	64 Å²	64	137.1 Å²	137.1	66%	0.66	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-86.7	150.9	158.3	0	0	0	0	0	110.6	P12	P12-G14 PolarHBondContact O-N 3.12Å
15	P	32.3	Very low	30	Very low	131 Å²	131	134.7 Å²	134.7	85%	0.851	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-71.5	141.4	-165.7	30.3	-33.4	0	0	0	111.8
16	R	28.3	Very low	29.9	Very low	238 Å²	238	135.8 Å²	135.8	90%	0.898	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-56.6	129.8	178	-71.1	174.9	172.9	176.3	-3.6	110.5	G18	R16-G18 PolarHBondContact O-N 3.03Å
17	P	33.9	Very low	29.7	Very low	124 Å²	124	136.6 Å²	136.6	81%	0.805	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-69.2	127	166.7	16.4	-8.8	0	0	0	108.3	A19	P17-A19 PolarHBondContact O-N 3.27Å; P17-A19 VanDerWaalsContact O-N 3.08Å
18	G	27.9	Very low	29.5	Very low	77 Å²	77	133 Å²	133	79%	0.794	80%	0.799	S	S	*	*			trans	-58.4	111.8	172.6	0	0	0	0	0	109.6	R16 A20	R16-G18 PolarHBondContact O-N 3.03Å; G18-A20 VanDerWaalsContact C-N 3.32Å; G18-A20 PolarHBondContact O-N 3.12Å
19	A	29.9	Very low	29.2	Very low	94 Å²	94	133.4 Å²	133.4	78%	0.777	80%	0.802	S	S	*	*			trans	-72.1	90.1	170.5	0	0	0	0	0	108.5	P17 S21	P17-A19 PolarHBondContact O-N 3.27Å; P17-A19 VanDerWaalsContact O-N 3.08Å; A19-S21 PolarHBondContact O-N 2.98Å; A19-S21 VanDerWaalsContact O-N 3.16Å
20	A	29.4	Very low	29	Very low	101 Å²	101	128.1 Å²	128.1	84%	0.835	80%	0.796	S	S	*	*			trans	-80.3	69.3	160.6	0	0	0	0	0	108.2	G18 S22	G18-A20 VanDerWaalsContact C-N 3.32Å; G18-A20 PolarHBondContact O-N 3.12Å; A20-S22 PolarHBondContact O-N 3.23Å
21	S	28.9	Very low	29.1	Very low	103 Å²	103	121.9 Å²	121.9	72%	0.72	79%	0.788	S	S	*	*			trans	-85.3	97.5	166	59.9	0	0	0	0	107.6	A19 G23	A19-S21 PolarHBondContact O-N 2.98Å; A19-S21 VanDerWaalsContact O-N 3.16Å; S21-G23 PolarHBondContact O-N 3.43Å
22	S	28.5	Very low	28.7	Very low	107 Å²	107	118.5 Å²	118.5	75%	0.748	78%	0.78	S	S	*	*			trans	-59.7	85.3	163.4	52.1	0	0	0	0	109	A20 F24	A20-S22 PolarHBondContact O-N 3.23Å; S22-F24 PolarHBondContact O-N 3.27Å
23	G	27.2	Very low	28.7	Very low	67 Å²	67	118.7 Å²	118.7	69%	0.691	78%	0.781	S	S	*	*			trans	-70.3	106.9	168.5	0	0	0	0	0	108.2	S21	S21-G23 PolarHBondContact O-N 3.43Å
24	F	24.9	Very low	28.7	Very low	191 Å²	191	120.1 Å²	120.1	84%	0.838	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-56.1	133.2	164.9	-85.9	-93.8	0	0	0	108.6	S22 S26	S22-F24 PolarHBondContact O-N 3.27Å; F24-S26 PolarHBondContact O-N 3.13Å
25	P	28.8	Very low	28.6	Very low	117 Å²	117	126.6 Å²	126.6	76%	0.76	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-65.8	121.9	-178.2	26.8	-32.3	0	0	0	109.1
26	S	26.6	Very low	28.4	Very low	105 Å²	105	124.2 Å²	124.2	73%	0.734	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-58.1	131	167.8	52.6	0	0	0	0	109	F24 A28	F24-S26 PolarHBondContact O-N 3.13Å; S26-A28 PolarHBondContact O-N 3.34Å
27	P	28.8	Very low	28.3	Very low	122 Å²	122	121.5 Å²	121.5	79%	0.792	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-60.5	135.6	178.4	25.1	-31.9	0	0	0	109.7
28	A	27.9	Very low	28.1	Very low	87 Å²	87	124.4 Å²	124.4	72%	0.719	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-56.8	139.1	179.6	0	0	0	0	0	110.5	S26 V30	S26-A28 PolarHBondContact O-N 3.34Å; A28-V30 PolarHBondContact O-N 3.41Å
29	P	27.6	Very low	28.1	Very low	122 Å²	122	129.1 Å²	129.1	79%	0.792	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-65.8	123.4	178.5	26.4	-31	0	0	0	109.3
30	V	28.6	Very low	28.2	Very low	134 Å²	134	132.9 Å²	132.9	81%	0.812	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-57.1	128.5	166.7	179.9	0	0	0	0	107.2	A28 G32	A28-V30 PolarHBondContact O-N 3.41Å; V30-G32 PolarHBondContact O-N 3.15Å
31	P	29.8	Very low	28.5	Very low	117 Å²	117	133.1 Å²	133.1	76%	0.76	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-57.2	127.3	-179.1	-18.8	29.6	0	0	0	109.6
32	G	24.9	Very low	28.9	Very low	62 Å²	62	136.8 Å²	136.8	64%	0.639	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-53.8	138.4	174.5	0	0	0	0	0	109.8	V30 R34	V30-G32 PolarHBondContact O-N 3.15Å; G32-R34 PolarHBondContact O-N 3.36Å
33	P	31.1	Very low	29.7	Very low	128 Å²	128	134.7 Å²	134.7	83%	0.831	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-60.8	119.5	-179.6	27.7	-31.9	0	0	0	106.7
34	R	27.4	Very low	30.6	Very low	232 Å²	232	137.6 Å²	137.6	88%	0.875	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-51.2	143	155.3	-72.7	178.3	174.4	177.6	-1.5	106	G32 A36	G32-R34 PolarHBondContact O-N 3.36Å; R34-A36 PolarHBondContact O-N 3.45Å
35	E	28	Very low	31.7	Very low	200 Å²	200	135.2 Å²	135.2	94%	0.935	75%	0.747	S	S	*	*			trans	-58.3	65.3	174.1	-62	170.2	166.7	0	0	110.1	E37	E35-E37 PolarHBondContact O-N 2.81Å
36	A	27.7	Very low	33	Very low	80 Å²	80	134.6 Å²	134.6	66%	0.661	73%	0.734	S	S	*	*			trans	-70.2	112	160.7	0	0	0	0	0	103.1	R34 E38	R34-A36 PolarHBondContact O-N 3.45Å; A36-E38 PolarHBondContact O-N 3.26Å
37	E	27.1	Very low	34.6	Very low	182 Å²	182	136.6 Å²	136.6	85%	0.85	74%	0.736	S	S	*	*			trans	-28.5	111.5	159.9	-64.4	172.8	163.9	0	0	107.1	E35 E39	E35-E37 PolarHBondContact O-N 2.81Å; E37-E39 PolarHBondContact O-N 3.2Å
38	E	29	Very low	36.6	Very low	184 Å²	184	134 Å²	134	86%	0.86	72%	0.724	S	S	*	*			trans	-59.5	96.1	172.7	-71.3	-177.7	159.3	0	0	104.2	A36 E40	A36-E38 PolarHBondContact O-N 3.26Å; E38-E40 PolarHBondContact O-N 3.18Å
39	E	28.3	Very low	39.3	Very low	176 Å²	176	132.5 Å²	132.5	82%	0.822	70%	0.703	S	S	*	*			trans	-54.2	101.8	162.4	-77.5	-174.2	164.4	0	0	103.3	E37 V41	E37-E39 PolarHBondContact O-N 3.2Å; E39-V41 PolarHBondContact O-N 3.41Å
40	E	31.9	Very low	42.3	Very low	174 Å²	174	128.4 Å²	128.4	81%	0.813	67%	0.674	S	S	*	*			trans	-54.2	97.2	165.5	-75.2	-174.8	157.9	0	0	103.6	E38 E42	E38-E40 PolarHBondContact O-N 3.18Å; E40-E42 PolarHBondContact O-N 2.9Å
41	V	36.3	Very low	45.3	Very low	106 Å²	106	122.5 Å²	122.5	64%	0.642	64%	0.637	S	S	*	*			trans	-58.7	99.3	169.5	177.4	0	0	0	0	102.8	E39 E43	E39-V41 PolarHBondContact O-N 3.41Å; V41-E43 PolarHBondContact O-N 3.32Å
42	E	36.8	Very low	48.4	Very low	180 Å²	180	117 Å²	117	84%	0.841	60%	0.601	S	S	*	*			trans	-58	92.6	171.6	-74.3	-172.1	161.4	0	0	104.5	E40 E44	E40-E42 PolarHBondContact O-N 2.9Å; E42-E44 PolarHBondContact O-N 2.95Å
43	E	45.8	Very low	51.7	Low	63 Å²	63	114 Å²	114	29%	0.294	57%	0.571	S	S	.	*			trans	-57	113.4	172.8	-73.6	-178.4	169.8	0	0	104.4	V41 E45 K264	V41-E43 PolarHBondContact O-N 3.32Å; E43-E45 PolarHBondContact O-N 2.67Å; E43-K264 WeakPolarHBondContact OE2-CD 3.24Å; E43-K264 VanDerWaalsContact OE2-CE 3.24Å; E43-K264 WeakPolarHBondContact OE2-CE 3.2Å; E43-K264 IonicContact OE2-NZ 2.83Å; E43-K264 PolarHBondContact OE2-NZ 2.95Å
44	E	44.7	Very low	54.7	Low	128 Å²	128	108 Å²	108	60%	0.598	53%	0.532	S	S	*	.			trans	-54.4	93.3	166.8	-73.3	172.2	144.5	0	0	106.6	E42 E46 R322 K329	E42-E44 PolarHBondContact O-N 2.95Å; E44-E46 VanDerWaalsContact C-N 3.31Å; E44-E46 PolarHBondContact O-N 2.85Å; E44-R322 IonicContact OE2-NH2 3.66Å; E44-K329 IonicContact OE2-NZ 2.83Å; E44-K329 PolarHBondContact OE2-NZ 3.41Å
45	E	49.7	Very low	57.7	Low	141 Å²	141	97.2 Å²	97.2	66%	0.659	49%	0.492	S	S	*	.			trans	-72.1	93.4	177.5	-73	-171.5	169.8	0	0	106.6	E43 L47 K264	E43-E45 PolarHBondContact O-N 2.67Å; E45-L47 PolarHBondContact O-N 3.19Å; E45-L47 VanDerWaalsContact O-N 3.08Å; E45-K264 IonicContact OE1-NZ 2.78Å; E45-K264 PolarHBondContact OE1-NZ 3.44Å
46	E	54.7	Low	60.7	Low	103 Å²	103	88.7 Å²	88.7	48%	0.481	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-52.1	119.1	161.1	-74.8	-177.3	-176.1	0	0	106.6	E44 A48 K321	E44-E46 VanDerWaalsContact C-N 3.31Å; E44-E46 PolarHBondContact O-N 2.85Å; E46-A48 PolarHBondContact O-N 2.81Å; E46-K321 IonicContact OE1-NZ 3.32Å; E46-K321 PolarHBondContact OE1-NZ 3.01Å; E46-K321 IonicContact OE2-NZ 2.69Å; E46-K321 PolarHBondContact OE2-NZ 3.37Å
47	L	60.9	Low	63.5	Low	147 Å²	147	88 Å²	88	77%	0.77	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-53.3	119.4	175.9	-75.5	166.2	0	0	0	107.8	E45 E49	E45-L47 PolarHBondContact O-N 3.19Å; E45-L47 VanDerWaalsContact O-N 3.08Å; L47-E49 WeakPolarHBondContact O-CG 3.45Å; L47-E49 PolarHBondContact O-N 3.42Å
48	A	70.8	Confident	66.1	Low	67 Å²	67	84 Å²	84	55%	0.554	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-66.4	118.1	179.1	0	0	0	0	0	109.1	E46	E46-A48 PolarHBondContact O-N 2.81Å
49	E	85	Confident	68.7	Low	56 Å²	56	76.4 Å²	76.4	26%	0.262	40%	0.399	S	S	.	.			trans	-111.7	135.5	-179.3	-64.7	-165.1	153	0	0	108.4	L47 H51 T68 Q98	L47-E49 WeakPolarHBondContact O-CG 3.45Å; L47-E49 PolarHBondContact O-N 3.42Å; E49-H51 IonicContact OE2-CE1 3.33Å; E49-H51 IonicContact OE2-NE2 2.91Å; E49-T68 HydrophobicContact CB-CG2 3.89Å; E49-T68 PolarHBondContact N-OG1 2.98Å; E49-T68 WeakPolarHBondContact O-CG2 3.27Å; E49-T68 PolarHBondContact O-N 3.49Å; E49-T68 PolarHBondContact O-OG1 2.9Å; E49-Q98 PolarHBondContact OE1-NE2 2.9Å; E49-Q98 PolarHBondContact OE1-OE1 3.3Å; E49-Q98 VanDerWaalsContact OE1-OE1 3.08Å; E49-Q98 PolarHBondContact OE2-OE1 2.88Å
50	I	89.5	Confident	71.5	Confident	37 Å²	37	74 Å²	74	19%	0.19	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	120.9	176.6	-58.1	172.8	0	0	0	109.5	Y65 Y66 I95 P97 Q98	I50-Y65 HydrophobicContact CG2-CD2 3.52Å; I50-Y65 HydrophobicContact CG2-CE2 4.3Å; I50-Y65 HydrophobicContact CG2-CG 4.01Å; I50-Y66 WeakPolarHBondContact CA-O 3.39Å; I50-I95 HydrophobicContact CB-CG2 4.23Å; I50-I95 HydrophobicContact CD1-CG2 4Å; I50-I95 HydrophobicContact CG2-CG2 3.42Å; I50-I95 VanDerWaalsContact CG2-CG2 3.42Å; I50-P97 HydrophobicContact CG2-CB 4.33Å; I50-P97 CarbonylContact O-C 3.52Å; I50-P97 WeakPolarHBondContact O-CA 3.45Å; I50-P97 WeakPolarHBondContact O-CB 3.37Å; I50-Q98 PolarHBondContact O-N 3.04Å
51	H	92.6	Very high	74.3	Confident	10 Å²	10	65.7 Å²	65.7	5%	0.046	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	109.7	177.7	-55.1	-76.4	0	0	0	109.5	E49 Y65 Y66 S99 L186 F189 I195	E49-H51 IonicContact OE2-CE1 3.33Å; E49-H51 IonicContact OE2-NE2 2.91Å; H51-Y65 CarbonylContact O-C 3.54Å; H51-Y65 WeakPolarHBondContact O-CA 3.47Å; H51-Y65 WeakPolarHBondContact O-CB 3.46Å; H51-Y66 PolarHBondContact N-O 3.08Å; H51-Y66 PolarHBondContact O-N 3.47Å; H51-S99 WeakPolarHBondContact CB-OG 3.29Å; H51-S99 PolarHBondContact ND1-OG 3.05Å; H51-L186 HydrophobicContact CB-CD1 4.45Å; H51-L186 WeakPolarHBondContact O-CD1 3.36Å; H51-F189 HydrophobicContact CB-CD1 4.35Å; H51-F189 HydrophobicContact CB-CE1 3.87Å; H51-F189 AromaticContact CG-CE1 3.85Å; H51-F189 AromaticContact ND1-CE1 3.77Å; H51-I195 VanDerWaalsContact CD2-CD1 3.48Å; H51-I195 WeakPolarHBondContact CD2-CD1 3.35Å; H51-I195 WeakPolarHBondContact NE2-CD1 3.49Å
52	L	94.2	Very high	76.9	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	135.4	-178.4	-177.7	72.7	0	0	0	110.1	V54 I63 Y65 V91 L92 I95 P97 S99 V100 V101	L52-V54 HydrophobicContact CD1-CG2 4.27Å; L52-V54 HydrophobicContact CD2-CG2 3.54Å; L52-V54 HydrophobicContact CG-CG2 3.58Å; L52-I63 HydrophobicContact CD1-CG2 3.36Å; L52-Y65 HydrophobicContact CD1-CD1 4.31Å; L52-Y65 HydrophobicContact CD1-CG 4.46Å; L52-V91 HydrophobicContact CD1-CG1 4.37Å; L52-V91 HydrophobicContact CD2-CG1 4.43Å; L52-L92 HydrophobicContact CD2-CD2 3.47Å; L52-L92 VanDerWaalsContact CD2-CD2 3.47Å; L52-L92 HydrophobicContact CD2-CG 4.4Å; L52-I95 HydrophobicContact CD1-CD1 4.18Å; L52-P97 HydrophobicContact CB-CB 3.62Å; L52-P97 HydrophobicContact CB-CG 3.86Å; L52-P97 HydrophobicContact CD2-CG 3.94Å; L52-S99 PolarHBondContact N-O 3.26Å; L52-V100 HydrophobicContact CD2-CG2 4.34Å; L52-V100 CarbonylContact O-C 3.5Å; L52-V100 WeakPolarHBondContact O-CA 3.26Å; L52-V101 PolarHBondContact O-N 2.92Å
53	C	94.9	Very high	79.5	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	128.2	170.5	-174	0	0	0	0	109.7	A64 V101 A182 L186	C53-A64 WeakPolarHBondContact CA-O 3.45Å; C53-A64 PolarHBondContact N-O 3.35Å; C53-A64 PolarHBondContact O-N 3.12Å; C53-A64 VanDerWaalsContact O-O 3.13Å; C53-V101 VanDerWaalsContact CA-O 3.29Å; C53-V101 WeakPolarHBondContact CA-O 3.47Å; C53-V101 HydrophobicContact CB-CB 4.33Å; C53-A182 PolarHBondContact SG-O 3.15Å; C53-L186 HydrophobicContact CB-CB 3.71Å; C53-L186 HydrophobicContact CB-CD1 4.08Å; C53-L186 HydrophobicContact CB-CG 4.37Å
54	V	93.5	Very high	81.8	Confident	2 Å²	2	49 Å²	49	1%	0.012	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	136.3	-172.7	-174.9	0	0	0	0	111	L52 L61 I63 L88 V100 V101 T102 M110	L52-V54 HydrophobicContact CD1-CG2 4.27Å; L52-V54 HydrophobicContact CD2-CG2 3.54Å; L52-V54 HydrophobicContact CG-CG2 3.58Å; V54-L61 HydrophobicContact CG1-CD1 3.54Å; V54-I63 HydrophobicContact CG1-CG1 4.25Å; V54-I63 HydrophobicContact CG2-CG1 4.29Å; V54-L88 HydrophobicContact CB-CD1 4.39Å; V54-L88 HydrophobicContact CG1-CD1 3.69Å; V54-L88 HydrophobicContact CG1-CD2 3.98Å; V54-L88 HydrophobicContact CG1-CG 4.48Å; V54-L88 HydrophobicContact CG2-CD1 3.87Å; V54-V100 HydrophobicContact CG2-CG1 4.39Å; V54-V101 PolarHBondContact N-O 2.81Å; V54-T102 WeakPolarHBondContact O-CB 3.27Å; V54-T102 PolarHBondContact O-OG1 3.37Å; V54-M110 HydrophobicContact CG1-CE 4.24Å
55	L	91.6	Very high	84.2	Confident	6 Å²	6	43.6 Å²	43.6	3%	0.031	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	133	168	-66.6	175.5	0	0	0	110	G62 F138 R181 A182	L55-G62 PolarHBondContact N-O 2.87Å; L55-G62 PolarHBondContact O-N 3.41Å; L55-F138 HydrophobicContact CD1-CB 4.38Å; L55-F138 HydrophobicContact CD1-CD1 3.8Å; L55-F138 HydrophobicContact CD1-CG 4.45Å; L55-F138 HydrophobicContact CD2-CD1 3.81Å; L55-F138 HydrophobicContact CD2-CE1 4.06Å; L55-F138 HydrophobicContact CD2-CG 4.24Å; L55-F138 HydrophobicContact CG-CD1 4.11Å; L55-F138 HydrophobicContact CG-CE1 4.43Å; L55-R181 HydrophobicContact CD1-CB 3.34Å; L55-A182 HydrophobicContact CD1-CB 4.38Å; L55-A182 HydrophobicContact CG-CB 4.46Å
56	W	89.8	Confident	86.3	Confident	20 Å²	20	37 Å²	37	8%	0.076	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	134.6	169.1	-177.2	82	0	0	0	109.1	Y60 L61 L85 D107 N109 M110	W56-Y60 VanDerWaalsContact CA-O 3.29Å; W56-Y60 WeakPolarHBondContact CA-O 3.42Å; W56-L61 HydrophobicContact CB-CD1 4.07Å; W56-L85 HydrophobicContact CB-CD2 4.3Å; W56-L85 HydrophobicContact CD2-CD2 3.86Å; W56-L85 HydrophobicContact CG-CD2 3.62Å; W56-D107 HydrophobicContact CE3-CB 3.87Å; W56-D107 HydrophobicContact CZ3-CB 3.54Å; W56-N109 HydrophobicContact CH2-CB 4.1Å; W56-N109 HydrophobicContact CZ3-CB 3.98Å; W56-M110 HydrophobicContact CB-CE 3.18Å; W56-M110 HydrophobicContact CG-CE 4.12Å
57	N	86.3	Confident	88	Confident	67 Å²	67	32.6 Å²	32.6	36%	0.358	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	136.3	176.7	-178.7	19.5	0	0	0	109.4	G59 Y60 L178	N57-G59 PolarHBondContact O-N 3.46Å; N57-G59 VanDerWaalsContact O-N 3.16Å; N57-Y60 PolarHBondContact N-O 3.21Å; N57-Y60 PolarHBondContact O-N 3.41Å; N57-L178 HydrophobicContact CB-CD1 4.33Å; N57-L178 HydrophobicContact CB-CD2 3.93Å
58	S	83	Confident	89.2	Confident	97 Å²	97	26.1 Å²	26.1	68%	0.678	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.8	35.5	173.6	-54	0	0	0	0	113.9	Y60	S58-Y60 VanDerWaalsContact C-N 3.33Å; S58-Y60 PolarHBondContact O-N 2.78Å
59	G	83.1	Confident	89.7	Confident	25 Å²	25	24.4 Å²	24.4	26%	0.258	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.6	1.3	179.6	0	0	0	0	0	115.6	N57 P80 D81	N57-G59 PolarHBondContact O-N 3.46Å; N57-G59 VanDerWaalsContact O-N 3.16Å; G59-P80 WeakPolarHBondContact O-CA 3.28Å; G59-D81 PolarHBondContact O-N 3.49Å; G59-D81 VanDerWaalsContact O-O 3.1Å
60	Y	87.6	Confident	89.6	Confident	124 Å²	124	22.1 Å²	22.1	49%	0.486	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	148	175.5	-71.5	-95	0	0	0	111.4	W56 N57 S58 A79 P80 L178	W56-Y60 VanDerWaalsContact CA-O 3.29Å; W56-Y60 WeakPolarHBondContact CA-O 3.42Å; N57-Y60 PolarHBondContact N-O 3.21Å; N57-Y60 PolarHBondContact O-N 3.41Å; S58-Y60 VanDerWaalsContact C-N 3.33Å; S58-Y60 PolarHBondContact O-N 2.78Å; Y60-A79 CarbonylContact C-O 3.56Å; Y60-A79 WeakPolarHBondContact CA-O 3.32Å; Y60-P80 HydrophobicContact CE1-CB 4.34Å; Y60-L178 VanDerWaalsContact O-CD1 3.23Å; Y60-L178 WeakPolarHBondContact O-CD1 3.12Å
61	L	89.8	Confident	89.5	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	124.3	-177.2	-174.6	67.9	0	0	0	109.8	V54 W56 I63 M76 A79 D81 L87 L88	V54-L61 HydrophobicContact CG1-CD1 3.54Å; W56-L61 HydrophobicContact CB-CD1 4.07Å; L61-I63 HydrophobicContact CD1-CG1 4.4Å; L61-I63 HydrophobicContact CD2-CD1 3.54Å; L61-I63 HydrophobicContact CD2-CG1 4.2Å; L61-I63 HydrophobicContact CG-CD1 3.87Å; L61-I63 HydrophobicContact CG-CG1 3.95Å; L61-M76 HydrophobicContact CD2-CE 4.32Å; L61-A79 PolarHBondContact N-O 2.99Å; L61-A79 PolarHBondContact O-N 3.44Å; L61-D81 HydrophobicContact CB-CB 3.99Å; L61-D81 HydrophobicContact CD2-CB 4.28Å; L61-L87 HydrophobicContact CD2-CB 4.19Å; L61-L87 HydrophobicContact CD2-CD2 4.08Å; L61-L87 HydrophobicContact CD2-CG 4.09Å; L61-L88 HydrophobicContact CD1-CB 4.32Å; L61-L88 HydrophobicContact CD1-CD2 4.42Å; L61-L88 HydrophobicContact CD2-CB 3.84Å
62	G	90.2	Very high	89.3	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	127.8	171.6	0	0	0	0	0	110.5	L55	L55-G62 PolarHBondContact N-O 2.87Å; L55-G62 PolarHBondContact O-N 3.41Å
63	I	92.4	Very high	89.2	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	137	-174.4	-67.2	169.3	0	0	0	110.7	L52 V54 L61 F75 M76 L88 V91 F214	L52-I63 HydrophobicContact CD1-CG2 3.36Å; V54-I63 HydrophobicContact CG1-CG1 4.25Å; V54-I63 HydrophobicContact CG2-CG1 4.29Å; L61-I63 HydrophobicContact CD1-CG1 4.4Å; L61-I63 HydrophobicContact CD2-CD1 3.54Å; L61-I63 HydrophobicContact CD2-CG1 4.2Å; L61-I63 HydrophobicContact CG-CD1 3.87Å; L61-I63 HydrophobicContact CG-CG1 3.95Å; I63-F75 WeakPolarHBondContact O-CA 3.38Å; I63-M76 HydrophobicContact CB-CB 4.22Å; I63-M76 HydrophobicContact CB-CE 4.4Å; I63-M76 HydrophobicContact CD1-CE 3.58Å; I63-M76 HydrophobicContact CG1-CE 4.21Å; I63-M76 PolarHBondContact O-N 3.31Å; I63-L88 HydrophobicContact CD1-CD1 4.38Å; I63-V91 HydrophobicContact CD1-CB 4.01Å; I63-V91 HydrophobicContact CD1-CG1 3.79Å; I63-V91 HydrophobicContact CD1-CG2 3.55Å; I63-V91 HydrophobicContact CG2-CG1 4.29Å; I63-F214 HydrophobicContact CG2-CE1 4.45Å; I63-F214 HydrophobicContact CG2-CZ 4.04Å
64	A	94.5	Very high	89.1	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	141.7	164.1	0	0	0	0	0	110.4	C53 H74 F75 A182 L183 L186	C53-A64 WeakPolarHBondContact CA-O 3.45Å; C53-A64 PolarHBondContact N-O 3.35Å; C53-A64 PolarHBondContact O-N 3.12Å; C53-A64 VanDerWaalsContact O-O 3.13Å; A64-H74 CarbonylContact C-O 3.58Å; A64-H74 WeakPolarHBondContact CA-O 3.48Å; A64-F75 HydrophobicContact CB-CB 4.15Å; A64-A182 HydrophobicContact CB-CB 4.43Å; A64-L183 HydrophobicContact CB-CD2 3.65Å; A64-L183 HydrophobicContact CB-CG 3.9Å; A64-L186 HydrophobicContact CB-CD2 3.95Å
65	Y	94.3	Very high	89.1	Confident	13 Å²	13	21.3 Å²	21.3	5%	0.051	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	153.1	172	67.9	-91.4	0	0	0	112	I50 H51 L52 D67 I73 H74 I95 F214	I50-Y65 HydrophobicContact CG2-CD2 3.52Å; I50-Y65 HydrophobicContact CG2-CE2 4.3Å; I50-Y65 HydrophobicContact CG2-CG 4.01Å; H51-Y65 CarbonylContact O-C 3.54Å; H51-Y65 WeakPolarHBondContact O-CA 3.47Å; H51-Y65 WeakPolarHBondContact O-CB 3.46Å; L52-Y65 HydrophobicContact CD1-CD1 4.31Å; L52-Y65 HydrophobicContact CD1-CG 4.46Å; Y65-D67 HydrophobicContact CE2-CB 4.43Å; Y65-I73 CarbonylContact O-C 3.52Å; Y65-I73 WeakPolarHBondContact O-CA 3.38Å; Y65-H74 HydrophobicContact CD1-CB 3.65Å; Y65-H74 HydrophobicContact CD2-CB 3.95Å; Y65-H74 HydrophobicContact CE1-CB 3.22Å; Y65-H74 AromaticContact CE1-CG 3.95Å; Y65-H74 HydrophobicContact CE2-CB 3.54Å; Y65-H74 AromaticContact CE2-CD2 3.43Å; Y65-H74 VanDerWaalsContact CE2-CD2 3.43Å; Y65-H74 WeakPolarHBondContact CE2-CD2 3.36Å; Y65-H74 AromaticContact CE2-CG 3.55Å; Y65-H74 HydrophobicContact CG-CB 4.01Å; Y65-H74 AromaticContact CZ-CD2 3.72Å; Y65-H74 AromaticContact CZ-CG 3.34Å; Y65-H74 AromaticContact CZ-ND1 3.9Å; Y65-H74 PolarHBondContact N-O 3.49Å; Y65-H74 PolarHBondContact O-N 2.94Å; Y65-H74 VanDerWaalsContact OH-CG 3.28Å; Y65-H74 PolarHBondContact OH-ND1 2.77Å; Y65-I95 HydrophobicContact CD1-CD1 3.42Å; Y65-I95 VanDerWaalsContact CD1-CD1 3.42Å; Y65-I95 HydrophobicContact CE1-CD1 3.38Å; Y65-I95 HydrophobicContact CE1-CG1 4.2Å; Y65-I95 HydrophobicContact CG-CD1 4.18Å; Y65-F214 AromaticContact CD1-CE1 3.76Å; Y65-F214 HydrophobicContact CD1-CE1 3.76Å; Y65-F214 HydrophobicContact CD1-CZ 4.09Å; Y65-F214 AromaticContact CE1-CD1 3.82Å; Y65-F214 HydrophobicContact CE1-CD1 3.82Å; Y65-F214 AromaticContact CE1-CE1 3.43Å; Y65-F214 HydrophobicContact CE1-CE1 3.43Å; Y65-F214 VanDerWaalsContact CE1-CE1 3.43Å; Y65-F214 HydrophobicContact CE1-CE2 4.42Å; Y65-F214 HydrophobicContact CE1-CG 4.45Å; Y65-F214 AromaticContact CE1-CZ 3.77Å; Y65-F214 HydrophobicContact CE1-CZ 3.77Å
66	Y	93.7	Very high	89	Confident	2 Å²	2	21.4 Å²	21.4	1%	0.008	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	126.4	173.5	178.7	-111.7	0	0	0	109.1	I50 H51 T68 S71 T72 I73 L190 I195 V206 P207 I208	I50-Y66 WeakPolarHBondContact CA-O 3.39Å; H51-Y66 PolarHBondContact N-O 3.08Å; H51-Y66 PolarHBondContact O-N 3.47Å; Y66-T68 HydrophobicContact CD1-CG2 4.12Å; Y66-T68 HydrophobicContact CE1-CG2 3.81Å; Y66-S71 WeakPolarHBondContact OH-CA 3.42Å; Y66-S71 WeakPolarHBondContact OH-CB 3.5Å; Y66-S71 PolarHBondContact OH-OG 3.14Å; Y66-T72 WeakPolarHBondContact CD2-O 3.42Å; Y66-I73 HydrophobicContact CD2-CG1 3.71Å; Y66-L190 HydrophobicContact CD1-CD1 4.14Å; Y66-L190 HydrophobicContact CD1-CD2 3.5Å; Y66-L190 HydrophobicContact CD1-CG 4.48Å; Y66-L190 HydrophobicContact CD2-CD1 3.98Å; Y66-L190 HydrophobicContact CE1-CD2 4.16Å; Y66-L190 HydrophobicContact CG-CD1 3.75Å; Y66-L190 HydrophobicContact CG-CD2 3.86Å; Y66-L190 HydrophobicContact CG-CG 4.46Å; Y66-I195 HydrophobicContact CE1-CG2 4.4Å; Y66-V206 HydrophobicContact CE1-CG1 4.2Å; Y66-P207 PolarHBondContact OH-O 3.48Å; Y66-I208 HydrophobicContact CE2-CG1 4.44Å
67	D	90.2	Very high	88.8	Confident	11 Å²	11	21.6 Å²	21.6	6%	0.059	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	116	172.9	-179.6	-8.7	0	0	0	108.3	Y65 S69 S71 T72 K268	Y65-D67 HydrophobicContact CE2-CB 4.43Å; D67-S69 PolarHBondContact O-N 3.47Å; D67-S69 WeakPolarHBondContact OD1-CB 3.46Å; D67-S69 PolarHBondContact OD1-N 2.96Å; D67-S69 PolarHBondContact OD1-OG 2.94Å; D67-S69 PolarHBondContact OD2-OG 2.67Å; D67-S71 WeakPolarHBondContact O-CA 3.29Å; D67-S71 PolarHBondContact O-N 3.35Å; D67-T72 PolarHBondContact N-O 3.2Å; D67-T72 PolarHBondContact O-N 2.79Å; D67-K268 IonicContact OD1-NZ 3.96Å; D67-K268 IonicContact OD2-NZ 3.93Å; D67-K268 PolarHBondContact OD2-NZ 2.86Å
68	T	86.3	Confident	88.9	Confident	12 Å²	12	20.5 Å²	20.5	7%	0.074	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-27.2	-178.8	60	0	0	0	0	112.6	E49 Y66 D70 S71 I195	E49-T68 HydrophobicContact CB-CG2 3.89Å; E49-T68 PolarHBondContact N-OG1 2.98Å; E49-T68 WeakPolarHBondContact O-CG2 3.27Å; E49-T68 PolarHBondContact O-N 3.49Å; E49-T68 PolarHBondContact O-OG1 2.9Å; Y66-T68 HydrophobicContact CD1-CG2 4.12Å; Y66-T68 HydrophobicContact CE1-CG2 3.81Å; T68-D70 PolarHBondContact O-N 2.81Å; T68-S71 PolarHBondContact O-N 2.81Å; T68-S71 PolarHBondContact O-OG 3.38Å; T68-I195 HydrophobicContact CG2-CG2 3.62Å
69	S	81.9	Confident	89	Confident	31 Å²	31	16.8 Å²	16.8	22%	0.217	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-33.4	-173.7	66.8	0	0	0	0	113.4	D67 K268	D67-S69 PolarHBondContact O-N 3.47Å; D67-S69 WeakPolarHBondContact OD1-CB 3.46Å; D67-S69 PolarHBondContact OD1-N 2.96Å; D67-S69 PolarHBondContact OD1-OG 2.94Å; D67-S69 PolarHBondContact OD2-OG 2.67Å; S69-K268 PolarHBondContact OG-NZ 2.98Å
70	D	82.5	Confident	89	Confident	8 Å²	8	20.2 Å²	20.2	4%	0.043	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-1.2	172.4	82.6	-13.4	0	0	0	113	T68 T72 K212 W265 P317	T68-D70 PolarHBondContact O-N 2.81Å; D70-T72 HydrophobicContact CB-CG2 4.38Å; D70-T72 WeakPolarHBondContact O-CG2 3.46Å; D70-T72 PolarHBondContact O-N 3.19Å; D70-T72 WeakPolarHBondContact OD1-CB 3.48Å; D70-T72 PolarHBondContact OD1-N 3.48Å; D70-T72 PolarHBondContact OD1-OG1 3.3Å; D70-T72 PolarHBondContact OD2-OG1 2.84Å; D70-K212 IonicContact OD2-NZ 3.71Å; D70-K212 PolarHBondContact OD2-NZ 3.46Å; D70-W265 HydrophobicContact CB-CH2 3.57Å; D70-W265 HydrophobicContact CB-CZ3 3.93Å; D70-P317 HydrophobicContact CB-CB 4.4Å
71	S	86.3	Confident	88.7	Confident	2 Å²	2	15 Å²	15	1%	0.014	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	36.4	-177.5	-61	0	0	0	0	112.5	Y66 D67 T68 I208 L209	Y66-S71 WeakPolarHBondContact OH-CA 3.42Å; Y66-S71 WeakPolarHBondContact OH-CB 3.5Å; Y66-S71 PolarHBondContact OH-OG 3.14Å; D67-S71 WeakPolarHBondContact O-CA 3.29Å; D67-S71 PolarHBondContact O-N 3.35Å; T68-S71 PolarHBondContact O-N 2.81Å; T68-S71 PolarHBondContact O-OG 3.38Å; S71-I208 WeakPolarHBondContact O-CA 3.32Å; S71-L209 PolarHBondContact O-N 2.91Å
72	T	88.7	Confident	88.1	Confident	5 Å²	5	20.9 Å²	20.9	3%	0.031	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	151.5	177	73.2	0	0	0	0	112.7	Y66 D67 D70 H74 L209 G210	Y66-T72 WeakPolarHBondContact CD2-O 3.42Å; D67-T72 PolarHBondContact N-O 3.2Å; D67-T72 PolarHBondContact O-N 2.79Å; D70-T72 HydrophobicContact CB-CG2 4.38Å; D70-T72 WeakPolarHBondContact O-CG2 3.46Å; D70-T72 PolarHBondContact O-N 3.19Å; D70-T72 WeakPolarHBondContact OD1-CB 3.48Å; D70-T72 PolarHBondContact OD1-N 3.48Å; D70-T72 PolarHBondContact OD1-OG1 3.3Å; D70-T72 PolarHBondContact OD2-OG1 2.84Å; T72-H74 PolarHBondContact OG1-CD2 3.08Å; T72-H74 PolarHBondContact OG1-NE2 3.37Å; T72-L209 HydrophobicContact CG2-CB 4.33Å; T72-G210 WeakPolarHBondContact CA-O 3.41Å; T72-G210 WeakPolarHBondContact CB-O 3.19Å
73	I	92.8	Very high	87.4	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	118.1	174.4	-64.8	175.3	0	0	0	108.6	Y65 Y66 L183 L186 L187 L190 I208 G210 F211 K212	Y65-I73 CarbonylContact O-C 3.52Å; Y65-I73 WeakPolarHBondContact O-CA 3.38Å; Y66-I73 HydrophobicContact CD2-CG1 3.71Å; I73-L183 HydrophobicContact CG2-CD2 3.48Å; I73-L183 VanDerWaalsContact CG2-CD2 3.48Å; I73-L186 HydrophobicContact CG1-CD2 4.45Å; I73-L186 HydrophobicContact CG2-CD2 3.9Å; I73-L187 HydrophobicContact CD1-CD2 3.61Å; I73-L190 HydrophobicContact CD1-CD1 4.32Å; I73-I208 HydrophobicContact CD1-CD1 3.72Å; I73-I208 HydrophobicContact CD1-CG1 4.08Å; I73-I208 HydrophobicContact CD1-CG2 3.99Å; I73-I208 HydrophobicContact CG1-CG2 4.16Å; I73-G210 PolarHBondContact N-O 2.7Å; I73-F211 HydrophobicContact CB-CD1 3.66Å; I73-F211 HydrophobicContact CB-CE1 3.77Å; I73-F211 HydrophobicContact CD1-CD1 4.43Å; I73-F211 HydrophobicContact CD1-CE1 3.65Å; I73-F211 HydrophobicContact CD1-CZ 4.12Å; I73-F211 HydrophobicContact CG1-CE1 4.26Å; I73-F211 HydrophobicContact CG2-CD1 3.78Å; I73-F211 HydrophobicContact CG2-CE1 3.85Å; I73-F211 CarbonylContact O-C 3.48Å; I73-F211 VanDerWaalsContact O-CA 3.26Å; I73-F211 WeakPolarHBondContact O-CA 3.28Å; I73-K212 PolarHBondContact O-N 2.88Å
74	H	92.7	Very high	86.6	Confident	25 Å²	25	30.1 Å²	30.1	12%	0.116	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	138.6	173	-69.8	-102.3	0	0	0	110.3	A64 Y65 T72 K212 F214	A64-H74 CarbonylContact C-O 3.58Å; A64-H74 WeakPolarHBondContact CA-O 3.48Å; Y65-H74 HydrophobicContact CD1-CB 3.65Å; Y65-H74 HydrophobicContact CD2-CB 3.95Å; Y65-H74 HydrophobicContact CE1-CB 3.22Å; Y65-H74 AromaticContact CE1-CG 3.95Å; Y65-H74 HydrophobicContact CE2-CB 3.54Å; Y65-H74 AromaticContact CE2-CD2 3.43Å; Y65-H74 VanDerWaalsContact CE2-CD2 3.43Å; Y65-H74 WeakPolarHBondContact CE2-CD2 3.36Å; Y65-H74 AromaticContact CE2-CG 3.55Å; Y65-H74 HydrophobicContact CG-CB 4.01Å; Y65-H74 AromaticContact CZ-CD2 3.72Å; Y65-H74 AromaticContact CZ-CG 3.34Å; Y65-H74 AromaticContact CZ-ND1 3.9Å; Y65-H74 PolarHBondContact N-O 3.49Å; Y65-H74 PolarHBondContact O-N 2.94Å; Y65-H74 VanDerWaalsContact OH-CG 3.28Å; Y65-H74 PolarHBondContact OH-ND1 2.77Å; T72-H74 PolarHBondContact OG1-CD2 3.08Å; T72-H74 PolarHBondContact OG1-NE2 3.37Å; H74-K212 CarbonylContact C-O 3.58Å; H74-K212 WeakPolarHBondContact CA-O 3.41Å; H74-F214 HydrophobicContact CB-CD1 3.91Å; H74-F214 HydrophobicContact CB-CE1 4.25Å
75	F	92.7	Very high	86	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	150.4	178.5	66.1	-87.9	0	0	0	112.3	I63 A64 I171 I172 P173 T179 L183 F211 K212 K213 F214	I63-F75 WeakPolarHBondContact O-CA 3.38Å; A64-F75 HydrophobicContact CB-CB 4.15Å; F75-I171 HydrophobicContact CE1-CG2 4.46Å; F75-I171 VanDerWaalsContact CZ-O 3.27Å; F75-I171 WeakPolarHBondContact CZ-O 3.28Å; F75-I172 HydrophobicContact CE1-CG1 4.42Å; F75-P173 HydrophobicContact CE2-CG 4.05Å; F75-T179 HydrophobicContact CB-CG2 3.96Å; F75-T179 HydrophobicContact CD2-CG2 3.81Å; F75-T179 HydrophobicContact CG-CG2 4.24Å; F75-L183 HydrophobicContact CB-CD1 4.4Å; F75-L183 HydrophobicContact CB-CD2 4.09Å; F75-L183 HydrophobicContact CB-CG 4.35Å; F75-L183 HydrophobicContact CG-CD1 4.4Å; F75-F211 HydrophobicContact CD1-CB 4.33Å; F75-F211 HydrophobicContact CD1-CD1 4.49Å; F75-F211 HydrophobicContact CE1-CB 3.91Å; F75-K212 WeakPolarHBondContact CD1-O 3.3Å; F75-K212 PolarHBondContact N-O 2.95Å; F75-K213 HydrophobicContact CE1-CB 4.38Å; F75-K213 HydrophobicContact CE2-CB 3.9Å; F75-K213 HydrophobicContact CE2-CG 4.2Å; F75-K213 HydrophobicContact CZ-CB 3.74Å; F75-K213 WeakPolarHBondContact O-CA 3.44Å; F75-F214 VanDerWaalsContact C-CD1 3.49Å; F75-F214 WeakPolarHBondContact O-CD1 3.46Å; F75-F214 PolarHBondContact O-N 2.97Å
76	M	89.3	Confident	85.2	Confident	7 Å²	7	34.9 Å²	34.9	3%	0.034	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	129.4	174.8	-168.3	176	69.8	0	0	108.5	L61 I63 A79 L87 T179 F214 L216	L61-M76 HydrophobicContact CD2-CE 4.32Å; I63-M76 HydrophobicContact CB-CB 4.22Å; I63-M76 HydrophobicContact CB-CE 4.4Å; I63-M76 HydrophobicContact CD1-CE 3.58Å; I63-M76 HydrophobicContact CG1-CE 4.21Å; I63-M76 PolarHBondContact O-N 3.31Å; M76-A79 HydrophobicContact CE-CB 3.9Å; M76-L87 HydrophobicContact CE-CD2 3.9Å; M76-L87 HydrophobicContact CE-CG 4.44Å; M76-T179 VanDerWaalsContact O-CG2 3.3Å; M76-T179 WeakPolarHBondContact O-CG2 3.29Å; M76-T179 PolarHBondContact O-OG1 2.61Å; M76-F214 HydrophobicContact CB-CD1 4.48Å; M76-F214 HydrophobicContact CB-CE1 3.95Å; M76-F214 HydrophobicContact CB-CE2 4.31Å; M76-F214 HydrophobicContact CB-CZ 3.86Å; M76-F214 HydrophobicContact SD-CE2 4.45Å; M76-L216 HydrophobicContact SD-CG 4.42Å
77	P	86.8	Confident	84.6	Confident	25 Å²	25	36.5 Å²	36.5	16%	0.162	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	155.8	170.3	-21.1	32	0	0	0	111.5	A79 T179 K213	P77-A79 PolarHBondContact O-N 2.94Å; P77-T179 WeakPolarHBondContact CA-OG1 3.41Å; P77-K213 HydrophobicContact CG-CD 4.08Å; P77-K213 HydrophobicContact CG-CG 4.36Å
78	D	87.9	Confident	84.4	Confident	44 Å²	44	36.1 Å²	36.1	24%	0.235	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.8	116	179.9	-68.8	-3.9	0	0	0	110.4	C176 L177 L178 T179	D78-C176 HydrophobicContact CB-CB 4.19Å; D78-C176 WeakPolarHBondContact OD2-CA 3.44Å; D78-L177 PolarHBondContact OD2-N 2.96Å; D78-L178 WeakPolarHBondContact OD1-CA 3.49Å; D78-L178 VanDerWaalsContact OD1-CB 3.29Å; D78-L178 WeakPolarHBondContact OD1-CB 3.34Å; D78-L178 PolarHBondContact OD1-N 3.37Å; D78-L178 PolarHBondContact OD2-N 3.19Å; D78-T179 PolarHBondContact N-OG1 2.94Å; D78-T179 PolarHBondContact OD1-N 3.31Å; D78-T179 PolarHBondContact OD1-OG1 2.82Å
79	A	84.3	Confident	84.3	Confident	19 Å²	19	38 Å²	38	16%	0.157	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	140.5	-176	0	0	0	0	0	110.6	Y60 L61 M76 P77 D81 L87	Y60-A79 CarbonylContact C-O 3.56Å; Y60-A79 WeakPolarHBondContact CA-O 3.32Å; L61-A79 PolarHBondContact N-O 2.99Å; L61-A79 PolarHBondContact O-N 3.44Å; M76-A79 HydrophobicContact CE-CB 3.9Å; P77-A79 PolarHBondContact O-N 2.94Å; A79-D81 PolarHBondContact O-N 3.22Å; A79-L87 HydrophobicContact CB-CD2 3.64Å
80	P	83.2	Confident	84.1	Confident	97 Å²	97	39.4 Å²	39.4	63%	0.63	20%	0.204	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65.8	131.5	175	28.2	-33.4	0	0	0	109.9	G59 Y60	G59-P80 WeakPolarHBondContact O-CA 3.28Å; Y60-P80 HydrophobicContact CE1-CB 4.34Å
81	D	82.4	Confident	84.2	Confident	13 Å²	13	39 Å²	39	7%	0.07	20%	0.202	C	C	.	.			trans	-128.1	138.4	171.8	-163	3.1	0	0	0	110	G59 L61 A79 L85 K86 L87 L88	G59-D81 PolarHBondContact O-N 3.49Å; G59-D81 VanDerWaalsContact O-O 3.1Å; L61-D81 HydrophobicContact CB-CB 3.99Å; L61-D81 HydrophobicContact CD2-CB 4.28Å; A79-D81 PolarHBondContact O-N 3.22Å; D81-L85 HydrophobicContact CB-CD2 4.43Å; D81-L85 VanDerWaalsContact OD2-C 3.32Å; D81-L85 VanDerWaalsContact OD2-CA 3.23Å; D81-L85 WeakPolarHBondContact OD2-CA 3.33Å; D81-K86 PolarHBondContact OD1-N 3.19Å; D81-L87 HydrophobicContact CB-CB 4.03Å; D81-L87 WeakPolarHBondContact OD1-CB 3.27Å; D81-L87 PolarHBondContact OD1-N 3.01Å; D81-L87 WeakPolarHBondContact OD2-CB 3.42Å; D81-L87 PolarHBondContact OD2-N 3.12Å; D81-L88 PolarHBondContact OD2-N 3.42Å
82	H	76.9	Confident	84	Confident	124 Å²	124	39.5 Å²	39.5	57%	0.574	20%	0.204	S	C	*	.			trans	-62.7	159.2	179.1	-169	-92.2	0	0	0	110.2	S84 L85	H82-S84 PolarHBondContact ND1-N 2.99Å; H82-S84 PolarHBondContact ND1-OG 3.43Å; H82-S84 PolarHBondContact O-N 3.05Å; H82-L85 WeakPolarHBondContact O-CA 3.23Å; H82-L85 PolarHBondContact O-N 2.94Å
83	E	75.9	Confident	83.5	Confident	136 Å²	136	43.7 Å²	43.7	64%	0.636	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-20.7	177.7	-63.7	-173.7	163.9	0	0	113.8	L85	E83-L85 VanDerWaalsContact C-N 3.27Å
84	S	76	Confident	82.7	Confident	58 Å²	58	45.2 Å²	45.2	41%	0.406	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-3.5	174.5	57.2	0	0	0	0	114	H82 K86	H82-S84 PolarHBondContact ND1-N 2.99Å; H82-S84 PolarHBondContact ND1-OG 3.43Å; H82-S84 PolarHBondContact O-N 3.05Å; S84-K86 PolarHBondContact O-N 2.93Å; S84-K86 WeakPolarHBondContact OG-CG 3.48Å
85	L	82.1	Confident	82.1	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.005	23%	0.231	C	C	.	.			trans	54.5	49.9	179.3	-63	173.2	0	0	0	113.6	W56 D81 H82 E83 L88 Q89 M110 F113	W56-L85 HydrophobicContact CB-CD2 4.3Å; W56-L85 HydrophobicContact CD2-CD2 3.86Å; W56-L85 HydrophobicContact CG-CD2 3.62Å; D81-L85 HydrophobicContact CB-CD2 4.43Å; D81-L85 VanDerWaalsContact OD2-C 3.32Å; D81-L85 VanDerWaalsContact OD2-CA 3.23Å; D81-L85 WeakPolarHBondContact OD2-CA 3.33Å; H82-L85 WeakPolarHBondContact O-CA 3.23Å; H82-L85 PolarHBondContact O-N 2.94Å; E83-L85 VanDerWaalsContact C-N 3.27Å; L85-L88 HydrophobicContact CB-CB 4.16Å; L85-L88 HydrophobicContact CD1-CD2 4.36Å; L85-Q89 PolarHBondContact O-N 2.72Å; L85-M110 HydrophobicContact CD1-CB 4.31Å; L85-M110 HydrophobicContact CD1-CE 3.81Å; L85-M110 HydrophobicContact CD1-SD 3.94Å; L85-M110 HydrophobicContact CD2-CE 4.33Å; L85-F113 HydrophobicContact CB-CD2 3.9Å; L85-F113 HydrophobicContact CB-CE2 4.14Å; L85-F113 HydrophobicContact CB-CG 4.14Å; L85-F113 HydrophobicContact CD1-CB 3.61Å; L85-F113 HydrophobicContact CD1-CD1 4.1Å; L85-F113 HydrophobicContact CD1-CD2 4.34Å; L85-F113 HydrophobicContact CD1-CG 3.77Å
86	K	77.6	Confident	81.5	Confident	113 Å²	113	48.6 Å²	48.6	49%	0.491	25%	0.252	S	S	.	.	H	α-helix	trans	-71.1	-37.9	-176.6	-76	-178	-176.7	-169.6	0	111.3	D81 S84 Q89 R90 N661	D81-K86 PolarHBondContact OD1-N 3.19Å; S84-K86 PolarHBondContact O-N 2.93Å; S84-K86 WeakPolarHBondContact OG-CG 3.48Å; K86-Q89 PolarHBondContact O-N 3.33Å; K86-R90 PolarHBondContact O-N 2.81Å; K86-N661 PolarHBondContact NZ-OD1 3.47Å
87	L	81.2	Confident	81.5	Confident	35 Å²	35	48.4 Å²	48.4	18%	0.183	25%	0.251	C	S	.	.	H	α-helix	trans	-65.9	-43.4	177.6	-175.5	63.7	0	0	0	110	L61 M76 A79 D81 R90 V91 L216	L61-L87 HydrophobicContact CD2-CB 4.19Å; L61-L87 HydrophobicContact CD2-CD2 4.08Å; L61-L87 HydrophobicContact CD2-CG 4.09Å; M76-L87 HydrophobicContact CE-CD2 3.9Å; M76-L87 HydrophobicContact CE-CG 4.44Å; A79-L87 HydrophobicContact CB-CD2 3.64Å; D81-L87 HydrophobicContact CB-CB 4.03Å; D81-L87 WeakPolarHBondContact OD1-CB 3.27Å; D81-L87 PolarHBondContact OD1-N 3.01Å; D81-L87 WeakPolarHBondContact OD2-CB 3.42Å; D81-L87 PolarHBondContact OD2-N 3.12Å; L87-R90 WeakPolarHBondContact O-CB 3.47Å; L87-R90 PolarHBondContact O-N 3.27Å; L87-V91 VanDerWaalsContact O-CG2 3.23Å; L87-V91 WeakPolarHBondContact O-CG2 3.39Å; L87-V91 PolarHBondContact O-N 3.19Å; L87-L216 HydrophobicContact CD1-CB 4.44Å; L87-L216 HydrophobicContact CD1-CD1 3.76Å
88	L	85.8	Confident	81.5	Confident	3 Å²	3	51.3 Å²	51.3	2%	0.016	26%	0.263	C	S	.	.	H	α-helix	trans	-61.4	-45.1	175.5	179.2	55.3	0	0	0	112.6	V54 L61 I63 D81 L85 R90 V91 L92 M110 F113	V54-L88 HydrophobicContact CB-CD1 4.39Å; V54-L88 HydrophobicContact CG1-CD1 3.69Å; V54-L88 HydrophobicContact CG1-CD2 3.98Å; V54-L88 HydrophobicContact CG1-CG 4.48Å; V54-L88 HydrophobicContact CG2-CD1 3.87Å; L61-L88 HydrophobicContact CD1-CB 4.32Å; L61-L88 HydrophobicContact CD1-CD2 4.42Å; L61-L88 HydrophobicContact CD2-CB 3.84Å; I63-L88 HydrophobicContact CD1-CD1 4.38Å; D81-L88 PolarHBondContact OD2-N 3.42Å; L85-L88 HydrophobicContact CB-CB 4.16Å; L85-L88 HydrophobicContact CD1-CD2 4.36Å; L88-R90 VanDerWaalsContact C-N 3.26Å; L88-R90 PolarHBondContact O-N 3.16Å; L88-V91 WeakPolarHBondContact O-CB 3.08Å; L88-V91 PolarHBondContact O-N 2.95Å; L88-L92 HydrophobicContact CD1-CD1 4.31Å; L88-L92 HydrophobicContact CD1-CG 4.21Å; L88-L92 HydrophobicContact CG-CD1 4.18Å; L88-L92 WeakPolarHBondContact O-CG 3.48Å; L88-L92 PolarHBondContact O-N 2.94Å; L88-M110 HydrophobicContact CD2-CE 3.69Å; L88-M110 HydrophobicContact CD2-SD 3.89Å; L88-F113 HydrophobicContact CB-CE1 4.37Å; L88-F113 HydrophobicContact CB-CZ 4.38Å; L88-F113 HydrophobicContact CD2-CD1 3.71Å; L88-F113 HydrophobicContact CD2-CE1 3.34Å; L88-F113 HydrophobicContact CD2-CZ 4.14Å; L88-F113 HydrophobicContact CG-CD1 4.42Å; L88-F113 HydrophobicContact CG-CE1 3.58Å; L88-F113 HydrophobicContact CG-CZ 3.97Å
89	Q	83.2	Confident	81.6	Confident	52 Å²	52	49.3 Å²	49.3	24%	0.243	25%	0.252	C	S	.	.	H	α-helix	trans	-57.1	-43.7	175.6	-174.9	63.2	49.9	0	0	111.1	L85 K86 V91 L92 D93 F113	L85-Q89 PolarHBondContact O-N 2.72Å; K86-Q89 PolarHBondContact O-N 3.33Å; Q89-V91 VanDerWaalsContact C-N 3.35Å; Q89-V91 PolarHBondContact O-N 3.43Å; Q89-L92 PolarHBondContact O-N 2.98Å; Q89-D93 PolarHBondContact NE2-OD1 2.82Å; Q89-D93 VanDerWaalsContact O-CG 3.22Å; Q89-D93 PolarHBondContact O-N 2.88Å; Q89-F113 HydrophobicContact CB-CE2 4.06Å; Q89-F113 HydrophobicContact CB-CZ 4.05Å
90	R	77.8	Confident	81.9	Confident	61 Å²	61	48.6 Å²	48.6	23%	0.23	25%	0.246	C	C	.	.	H	α-helix	trans	-59.8	-44.4	176.8	-174.8	-178.4	-175.5	171.5	14	112.2	K86 L87 L88 L92 D93 E94 L216 L219 V220	K86-R90 PolarHBondContact O-N 2.81Å; L87-R90 WeakPolarHBondContact O-CB 3.47Å; L87-R90 PolarHBondContact O-N 3.27Å; L88-R90 VanDerWaalsContact C-N 3.26Å; L88-R90 PolarHBondContact O-N 3.16Å; R90-L92 VanDerWaalsContact C-N 3.3Å; R90-L92 PolarHBondContact O-N 2.81Å; R90-D93 PolarHBondContact O-N 2.68Å; R90-E94 VanDerWaalsContact O-CB 3.24Å; R90-E94 WeakPolarHBondContact O-CB 3.32Å; R90-E94 PolarHBondContact O-N 3.35Å; R90-L216 HydrophobicContact CG-CD1 4.41Å; R90-L219 PolarHBondContact NH2-O 3.03Å; R90-V220 PolarHBondContact NH2-O 3.26Å
91	V	83.8	Confident	82.3	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.3	-41.5	177.3	174.1	0	0	0	0	110.9	L52 I63 L87 L88 Q89 E94 I95 L216	L52-V91 HydrophobicContact CD1-CG1 4.37Å; L52-V91 HydrophobicContact CD2-CG1 4.43Å; I63-V91 HydrophobicContact CD1-CB 4.01Å; I63-V91 HydrophobicContact CD1-CG1 3.79Å; I63-V91 HydrophobicContact CD1-CG2 3.55Å; I63-V91 HydrophobicContact CG2-CG1 4.29Å; L87-V91 VanDerWaalsContact O-CG2 3.23Å; L87-V91 WeakPolarHBondContact O-CG2 3.39Å; L87-V91 PolarHBondContact O-N 3.19Å; L88-V91 WeakPolarHBondContact O-CB 3.08Å; L88-V91 PolarHBondContact O-N 2.95Å; Q89-V91 VanDerWaalsContact C-N 3.35Å; Q89-V91 PolarHBondContact O-N 3.43Å; V91-E94 PolarHBondContact O-N 3.39Å; V91-I95 HydrophobicContact CG1-CD1 3.46Å; V91-I95 VanDerWaalsContact CG1-CD1 3.46Å; V91-I95 HydrophobicContact CG1-CG1 4.27Å; V91-I95 VanDerWaalsContact O-CB 3.3Å; V91-I95 WeakPolarHBondContact O-CB 3.21Å; V91-I95 WeakPolarHBondContact O-CG1 3.36Å; V91-I95 PolarHBondContact O-N 3.4Å; V91-L216 HydrophobicContact CG2-CD1 3.36Å
92	L	84.1	Confident	82.9	Confident	11 Å²	11	43.5 Å²	43.5	6%	0.058	21%	0.213	C	C	.	.	H	α-helix	trans	-67.4	-44.4	178.8	-70.6	171	0	0	0	112.3	L52 L88 Q89 R90 E94 N96 P97 V100 F113 L117	L52-L92 HydrophobicContact CD2-CD2 3.47Å; L52-L92 VanDerWaalsContact CD2-CD2 3.47Å; L52-L92 HydrophobicContact CD2-CG 4.4Å; L88-L92 HydrophobicContact CD1-CD1 4.31Å; L88-L92 HydrophobicContact CD1-CG 4.21Å; L88-L92 HydrophobicContact CG-CD1 4.18Å; L88-L92 WeakPolarHBondContact O-CG 3.48Å; L88-L92 PolarHBondContact O-N 2.94Å; Q89-L92 PolarHBondContact O-N 2.98Å; R90-L92 VanDerWaalsContact C-N 3.3Å; R90-L92 PolarHBondContact O-N 2.81Å; L92-E94 PolarHBondContact O-N 3.2Å; L92-N96 VanDerWaalsContact O-CA 3.31Å; L92-N96 WeakPolarHBondContact O-CA 3.42Å; L92-N96 PolarHBondContact O-N 3.12Å; L92-P97 HydrophobicContact CD2-CG 3.68Å; L92-V100 HydrophobicContact CD2-CG2 3.71Å; L92-F113 HydrophobicContact CD1-CE1 3.74Å; L92-F113 HydrophobicContact CD1-CZ 3.87Å; L92-L117 HydrophobicContact CD1-CD1 3.49Å; L92-L117 VanDerWaalsContact CD1-CD1 3.49Å; L92-L117 HydrophobicContact CD1-CD2 3.99Å; L92-L117 HydrophobicContact CD1-CG 4.39Å
93	D	76.7	Confident	83.5	Confident	93 Å²	93	37.7 Å²	37.7	50%	0.497	19%	0.187	S	C	.	.	H	α-helix	trans	-62.7	-34.6	177.9	-66.3	-20.7	0	0	0	111.2	Q89 R90	Q89-D93 PolarHBondContact NE2-OD1 2.82Å; Q89-D93 VanDerWaalsContact O-CG 3.22Å; Q89-D93 PolarHBondContact O-N 2.88Å; R90-D93 PolarHBondContact O-N 2.68Å
94	E	75.6	Confident	84.1	Confident	32 Å²	32	34.3 Å²	34.3	15%	0.15	18%	0.182	C	C	.	.	H	α-helix	trans	-82.1	-43.4	-177.3	-172.8	-173	112.3	0	0	113.8	R90 V91 L92 L216 R276	R90-E94 VanDerWaalsContact O-CB 3.24Å; R90-E94 WeakPolarHBondContact O-CB 3.32Å; R90-E94 PolarHBondContact O-N 3.35Å; V91-E94 PolarHBondContact O-N 3.39Å; L92-E94 PolarHBondContact O-N 3.2Å; E94-L216 WeakPolarHBondContact OE1-CD2 3.4Å; E94-L216 VanDerWaalsContact OE2-CD2 3.24Å; E94-L216 WeakPolarHBondContact OE2-CD2 3.43Å; E94-R276 VanDerWaalsContact CD-NE 3.32Å; E94-R276 HydrophobicContact CG-CG 4Å; E94-R276 IonicContact OE1-CZ 3.49Å; E94-R276 IonicContact OE1-NE 2.76Å; E94-R276 PolarHBondContact OE1-NE 2.73Å; E94-R276 IonicContact OE1-NH1 2.79Å; E94-R276 IonicContact OE1-NH2 3Å; E94-R276 PolarHBondContact OE1-NH2 3.33Å
95	I	80.9	Confident	84.6	Confident	13 Å²	13	39.5 Å²	39.5	7%	0.067	20%	0.197	C	C	.	.	H	α-helix	trans	-83.9	-32.4	-177.2	-64.6	176.7	0	0	0	111	I50 L52 Y65 V91 P97 F214	I50-I95 HydrophobicContact CB-CG2 4.23Å; I50-I95 HydrophobicContact CD1-CG2 4Å; I50-I95 HydrophobicContact CG2-CG2 3.42Å; I50-I95 VanDerWaalsContact CG2-CG2 3.42Å; L52-I95 HydrophobicContact CD1-CD1 4.18Å; Y65-I95 HydrophobicContact CD1-CD1 3.42Å; Y65-I95 VanDerWaalsContact CD1-CD1 3.42Å; Y65-I95 HydrophobicContact CE1-CD1 3.38Å; Y65-I95 HydrophobicContact CE1-CG1 4.2Å; Y65-I95 HydrophobicContact CG-CD1 4.18Å; V91-I95 HydrophobicContact CG1-CD1 3.46Å; V91-I95 VanDerWaalsContact CG1-CD1 3.46Å; V91-I95 HydrophobicContact CG1-CG1 4.27Å; V91-I95 VanDerWaalsContact O-CB 3.3Å; V91-I95 WeakPolarHBondContact O-CB 3.21Å; V91-I95 WeakPolarHBondContact O-CG1 3.36Å; V91-I95 PolarHBondContact O-N 3.4Å; I95-P97 HydrophobicContact CG2-CB 4.29Å; I95-F214 HydrophobicContact CD1-CZ 4.25Å
96	N	81	Confident	84.5	Confident	83 Å²	83	41.2 Å²	41.2	44%	0.444	21%	0.205	S	C	.	.			trans	47.9	59.1	-172.9	-171.6	40.1	0	0	0	112.7	L92 P125	L92-N96 VanDerWaalsContact O-CA 3.31Å; L92-N96 WeakPolarHBondContact O-CA 3.42Å; L92-N96 PolarHBondContact O-N 3.12Å; N96-P125 WeakPolarHBondContact OD1-CG 3.48Å
97	P	88.1	Confident	84.8	Confident	4 Å²	4	39 Å²	39	3%	0.026	20%	0.199	C	C	.	.			trans	-69.3	148.2	-175	31.6	-36.7	0	0	0	112	I50 L52 L92 I95 V100 P128	I50-P97 HydrophobicContact CG2-CB 4.33Å; I50-P97 CarbonylContact O-C 3.52Å; I50-P97 WeakPolarHBondContact O-CA 3.45Å; I50-P97 WeakPolarHBondContact O-CB 3.37Å; L52-P97 HydrophobicContact CB-CB 3.62Å; L52-P97 HydrophobicContact CB-CG 3.86Å; L52-P97 HydrophobicContact CD2-CG 3.94Å; L92-P97 HydrophobicContact CD2-CG 3.68Å; I95-P97 HydrophobicContact CG2-CB 4.29Å; P97-V100 HydrophobicContact CG-CG2 3.88Å; P97-P128 WeakPolarHBondContact O-CB 3.38Å
98	Q	86.8	Confident	84.9	Confident	86 Å²	86	44.5 Å²	44.5	40%	0.402	22%	0.224	S	C	.	.	S	Bend	trans	-77.3	-30.9	174.7	-175.4	-178	9	0	0	112.4	E49 I50 P128 E129	E49-Q98 PolarHBondContact OE1-NE2 2.9Å; E49-Q98 PolarHBondContact OE1-OE1 3.3Å; E49-Q98 VanDerWaalsContact OE1-OE1 3.08Å; E49-Q98 PolarHBondContact OE2-OE1 2.88Å; I50-Q98 PolarHBondContact O-N 3.04Å; Q98-P128 CarbonylContact O-C 3.23Å; Q98-P128 VanDerWaalsContact O-CA 3.27Å; Q98-P128 WeakPolarHBondContact O-CA 3.33Å; Q98-E129 PolarHBondContact O-N 2.68Å
99	S	89.4	Confident	84.9	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.014	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	138.9	174.8	70.3	0	0	0	0	111.4	H51 L52 E129	H51-S99 WeakPolarHBondContact CB-OG 3.29Å; H51-S99 PolarHBondContact ND1-OG 3.05Å; L52-S99 PolarHBondContact N-O 3.26Å; S99-E129 CarbonylContact C-O 3.44Å; S99-E129 WeakPolarHBondContact CA-O 3.3Å
100	V	91.7	Very high	85	Confident	4 Å²	4	43.9 Å²	43.9	2%	0.024	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	108.9	173.4	178.4	0	0	0	0	108.7	L52 V54 L92 P97 L114 P128 E129 I130 I131	L52-V100 HydrophobicContact CD2-CG2 4.34Å; L52-V100 CarbonylContact O-C 3.5Å; L52-V100 WeakPolarHBondContact O-CA 3.26Å; V54-V100 HydrophobicContact CG2-CG1 4.39Å; L92-V100 HydrophobicContact CD2-CG2 3.71Å; P97-V100 HydrophobicContact CG-CG2 3.88Å; V100-L114 HydrophobicContact CG1-CD2 4.38Å; V100-P128 HydrophobicContact CG2-CB 3.75Å; V100-P128 HydrophobicContact CG2-CG 4.19Å; V100-E129 PolarHBondContact N-O 2.86Å; V100-I130 WeakPolarHBondContact O-CA 3.24Å; V100-I131 PolarHBondContact O-N 2.98Å
101	V	92.4	Very high	85.3	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	133.3	-179	-179.3	0	0	0	0	109.6	L52 C53 V54 I131 L133 F138 F189	L52-V101 PolarHBondContact O-N 2.92Å; C53-V101 VanDerWaalsContact CA-O 3.29Å; C53-V101 WeakPolarHBondContact CA-O 3.47Å; C53-V101 HydrophobicContact CB-CB 4.33Å; V54-V101 PolarHBondContact N-O 2.81Å; V101-I131 WeakPolarHBondContact CA-O 3.49Å; V101-I131 HydrophobicContact CG2-CB 4.21Å; V101-L133 HydrophobicContact CG1-CD1 3.69Å; V101-L133 HydrophobicContact CG1-CG 4.05Å; V101-F138 HydrophobicContact CG1-CZ 4.35Å; V101-F189 HydrophobicContact CG1-CB 4.16Å; V101-F189 HydrophobicContact CG1-CD2 4.46Å; V101-F189 HydrophobicContact CG1-CG 4.33Å; V101-F189 HydrophobicContact CG2-CB 4.19Å; V101-F189 HydrophobicContact CG2-CD1 3.68Å; V101-F189 HydrophobicContact CG2-CD2 3.67Å; V101-F189 HydrophobicContact CG2-CE1 3.88Å; V101-F189 HydrophobicContact CG2-CE2 3.91Å; V101-F189 HydrophobicContact CG2-CG 3.54Å; V101-F189 HydrophobicContact CG2-CZ 3.99Å
102	T	93.1	Very high	85.4	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.012	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	170.4	176	-162.7	0	0	0	0	112.2	V54 Q106 L114 I131 F132 L133 F138	V54-T102 WeakPolarHBondContact O-CB 3.27Å; V54-T102 PolarHBondContact O-OG1 3.37Å; T102-Q106 HydrophobicContact CG2-CG 4.4Å; T102-Q106 PolarHBondContact OG1-NE2 3.44Å; T102-L114 HydrophobicContact CG2-CD1 3.84Å; T102-I131 PolarHBondContact N-O 2.82Å; T102-F132 HydrophobicContact CG2-CD1 3.66Å; T102-F132 HydrophobicContact CG2-CE1 3.62Å; T102-F132 WeakPolarHBondContact O-CA 3.38Å; T102-L133 PolarHBondContact O-N 3.46Å; T102-F138 WeakPolarHBondContact O-CZ 3.23Å
103	S	91.3	Very high	85.5	Confident	3 Å²	3	51.7 Å²	51.7	2%	0.021	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	140.5	175.1	156.3	0	0	0	0	110.8	K105 Q106 L133 F138	S103-K105 PolarHBondContact O-N 3.05Å; S103-K105 PolarHBondContact OG-N 3.47Å; S103-K105 PolarHBondContact OG-O 2.85Å; S103-Q106 VanDerWaalsContact N-NE2 3.15Å; S103-Q106 WeakPolarHBondContact O-CG 3.49Å; S103-Q106 PolarHBondContact O-NE2 3.33Å; S103-L133 CarbonylContact C-O 3.54Å; S103-L133 WeakPolarHBondContact CA-O 3.39Å; S103-F138 VanDerWaalsContact CB-CD2 3.45Å
104	A	87.5	Confident	85.9	Confident	65 Å²	65	47.6 Å²	47.6	54%	0.537	24%	0.238	S	C	.	.	S	Bend	trans	-62.6	-24.1	172.8	0	0	0	0	0	112.8	F132 L133	A104-F132 HydrophobicContact CB-CB 4.26Å; A104-L133 PolarHBondContact N-O 3.35Å
105	K	85.8	Confident	86.2	Confident	167 Å²	167	47.9 Å²	47.9	73%	0.726	25%	0.25	S	C	*	.	S	Bend	trans	-96.6	105.9	171.8	-173	178.7	-179.8	-180	0	108.9	S103	S103-K105 PolarHBondContact O-N 3.05Å; S103-K105 PolarHBondContact OG-N 3.47Å; S103-K105 PolarHBondContact OG-O 2.85Å
106	Q	80.5	Confident	86.2	Confident	36 Å²	36	53.2 Å²	53.2	17%	0.168	27%	0.272	C	S	.	.			trans	-125.1	162.7	177	-65.5	-57.1	-44.6	0	0	111.2	T102 S103 M110	T102-Q106 HydrophobicContact CG2-CG 4.4Å; T102-Q106 PolarHBondContact OG1-NE2 3.44Å; S103-Q106 VanDerWaalsContact N-NE2 3.15Å; S103-Q106 WeakPolarHBondContact O-CG 3.49Å; S103-Q106 PolarHBondContact O-NE2 3.33Å; Q106-M110 HydrophobicContact CB-CB 4.17Å; Q106-M110 HydrophobicContact CB-CG 4.13Å; Q106-M110 HydrophobicContact CG-CG 4Å
107	D	84	Confident	86.1	Confident	66 Å²	66	50 Å²	50	35%	0.353	26%	0.255	S	S	.	.			trans	-67.9	158.5	165.7	-71	-54.7	0	0	0	112	W56 N109 M110 T111	W56-D107 HydrophobicContact CE3-CB 3.87Å; W56-D107 HydrophobicContact CZ3-CB 3.54Å; D107-N109 VanDerWaalsContact C-N 3.27Å; D107-N109 PolarHBondContact O-N 3.37Å; D107-M110 PolarHBondContact O-N 2.73Å; D107-T111 PolarHBondContact O-N 2.92Å; D107-T111 PolarHBondContact O-OG1 2.93Å
108	E	84.3	Confident	85.5	Confident	152 Å²	152	51 Å²	51	71%	0.71	26%	0.264	S	S	*	.	H	α-helix	trans	-57.2	-39	178.1	-111.1	-169	161.4	0	0	112.6	T111 R112	E108-T111 PolarHBondContact O-N 3.23Å; E108-R112 WeakPolarHBondContact O-CB 3.45Å; E108-R112 PolarHBondContact O-N 3.36Å
109	N	85.5	Confident	84.7	Confident	40 Å²	40	50.8 Å²	50.8	21%	0.214	27%	0.272	C	S	.	.	H	α-helix	trans	-65.5	-44.8	-178.9	-71	-25.8	0	0	0	111.9	W56 D107 R112 F113	W56-N109 HydrophobicContact CH2-CB 4.1Å; W56-N109 HydrophobicContact CZ3-CB 3.98Å; D107-N109 VanDerWaalsContact C-N 3.27Å; D107-N109 PolarHBondContact O-N 3.37Å; N109-R112 PolarHBondContact O-N 3.23Å; N109-R112 PolarHBondContact OD1-NH1 3.37Å; N109-F113 WeakPolarHBondContact O-CB 3.41Å; N109-F113 PolarHBondContact O-N 3.08Å
110	M	85.1	Confident	83.3	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-64.1	-41.9	173.7	179.7	61.4	71.5	0	0	111.1	V54 W56 L85 L88 Q106 D107 R112 F113 L114	V54-M110 HydrophobicContact CG1-CE 4.24Å; W56-M110 HydrophobicContact CB-CE 3.18Å; W56-M110 HydrophobicContact CG-CE 4.12Å; L85-M110 HydrophobicContact CD1-CB 4.31Å; L85-M110 HydrophobicContact CD1-CE 3.81Å; L85-M110 HydrophobicContact CD1-SD 3.94Å; L85-M110 HydrophobicContact CD2-CE 4.33Å; L88-M110 HydrophobicContact CD2-CE 3.69Å; L88-M110 HydrophobicContact CD2-SD 3.89Å; Q106-M110 HydrophobicContact CB-CB 4.17Å; Q106-M110 HydrophobicContact CB-CG 4.13Å; Q106-M110 HydrophobicContact CG-CG 4Å; D107-M110 PolarHBondContact O-N 2.73Å; M110-R112 VanDerWaalsContact C-N 3.33Å; M110-R112 PolarHBondContact O-N 2.95Å; M110-F113 PolarHBondContact O-N 3.42Å; M110-F113 HydrophobicContact SD-CD1 4.38Å; M110-L114 HydrophobicContact CG-CD1 3.83Å; M110-L114 HydrophobicContact CG-CG 4.23Å; M110-L114 WeakPolarHBondContact O-CB 3.48Å; M110-L114 VanDerWaalsContact O-CG 3.29Å; M110-L114 WeakPolarHBondContact O-CG 3.36Å; M110-L114 PolarHBondContact O-N 2.79Å; M110-L114 HydrophobicContact SD-CD1 4.07Å; M110-L114 HydrophobicContact SD-CD2 4.35Å; M110-L114 HydrophobicContact SD-CG 3.93Å
111	T	84.8	Confident	81.3	Confident	79 Å²	79	61.7 Å²	61.7	49%	0.485	32%	0.322	S	S	.	.	H	α-helix	trans	-60.7	-43	177	-53.2	0	0	0	0	111.6	D107 E108 G115	D107-T111 PolarHBondContact O-N 2.92Å; D107-T111 PolarHBondContact O-OG1 2.93Å; E108-T111 PolarHBondContact O-N 3.23Å; T111-G115 PolarHBondContact O-N 3.41Å
112	R	85.3	Confident	79.2	Confident	138 Å²	138	66.5 Å²	66.5	52%	0.521	34%	0.344	S	S	.	.	H	α-helix	trans	-64.9	-39.9	175.5	-170.6	-175.4	-66	135.8	0.4	111.8	E108 N109 M110 G115 K116	E108-R112 WeakPolarHBondContact O-CB 3.45Å; E108-R112 PolarHBondContact O-N 3.36Å; N109-R112 PolarHBondContact O-N 3.23Å; N109-R112 PolarHBondContact OD1-NH1 3.37Å; M110-R112 VanDerWaalsContact C-N 3.33Å; M110-R112 PolarHBondContact O-N 2.95Å; R112-G115 PolarHBondContact O-N 3.47Å; R112-K116 WeakPolarHBondContact O-CG 3.37Å; R112-K116 PolarHBondContact O-N 3.08Å
113	F	85.1	Confident	76.9	Confident	19 Å²	19	71.9 Å²	71.9	8%	0.083	37%	0.365	C	S	.	.	H	α-helix	trans	-66.8	-47.6	177.7	180	-95.8	0	0	0	112.2	L85 L88 Q89 L92 N109 M110 G115 K116 L117	L85-F113 HydrophobicContact CB-CD2 3.9Å; L85-F113 HydrophobicContact CB-CE2 4.14Å; L85-F113 HydrophobicContact CB-CG 4.14Å; L85-F113 HydrophobicContact CD1-CB 3.61Å; L85-F113 HydrophobicContact CD1-CD1 4.1Å; L85-F113 HydrophobicContact CD1-CD2 4.34Å; L85-F113 HydrophobicContact CD1-CG 3.77Å; L88-F113 HydrophobicContact CB-CE1 4.37Å; L88-F113 HydrophobicContact CB-CZ 4.38Å; L88-F113 HydrophobicContact CD2-CD1 3.71Å; L88-F113 HydrophobicContact CD2-CE1 3.34Å; L88-F113 HydrophobicContact CD2-CZ 4.14Å; L88-F113 HydrophobicContact CG-CD1 4.42Å; L88-F113 HydrophobicContact CG-CE1 3.58Å; L88-F113 HydrophobicContact CG-CZ 3.97Å; Q89-F113 HydrophobicContact CB-CE2 4.06Å; Q89-F113 HydrophobicContact CB-CZ 4.05Å; L92-F113 HydrophobicContact CD1-CE1 3.74Å; L92-F113 HydrophobicContact CD1-CZ 3.87Å; N109-F113 WeakPolarHBondContact O-CB 3.41Å; N109-F113 PolarHBondContact O-N 3.08Å; M110-F113 PolarHBondContact O-N 3.42Å; M110-F113 HydrophobicContact SD-CD1 4.38Å; F113-G115 VanDerWaalsContact C-N 3.29Å; F113-G115 PolarHBondContact O-N 3.2Å; F113-K116 WeakPolarHBondContact O-CB 3.41Å; F113-K116 PolarHBondContact O-N 2.82Å; F113-K116 VanDerWaalsContact O-N 3.13Å; F113-L117 HydrophobicContact CD1-CD1 3.69Å; F113-L117 HydrophobicContact CD1-CG 4.42Å; F113-L117 HydrophobicContact CE1-CD1 3.28Å; F113-L117 HydrophobicContact CE1-CG 4.09Å; F113-L117 HydrophobicContact CZ-CD1 3.94Å; F113-L117 HydrophobicContact CZ-CG 4.36Å; F113-L117 PolarHBondContact O-N 3.34Å
114	L	85.3	Confident	74.9	Confident	8 Å²	8	80.7 Å²	80.7	4%	0.042	41%	0.406	C	S	.	.	H	α-helix	trans	-62.6	-37.2	173.9	-66.7	171.9	0	0	0	111.7	V100 T102 M110 L117 A118 I130 F132	V100-L114 HydrophobicContact CG1-CD2 4.38Å; T102-L114 HydrophobicContact CG2-CD1 3.84Å; M110-L114 HydrophobicContact CG-CD1 3.83Å; M110-L114 HydrophobicContact CG-CG 4.23Å; M110-L114 WeakPolarHBondContact O-CB 3.48Å; M110-L114 VanDerWaalsContact O-CG 3.29Å; M110-L114 WeakPolarHBondContact O-CG 3.36Å; M110-L114 PolarHBondContact O-N 2.79Å; M110-L114 HydrophobicContact SD-CD1 4.07Å; M110-L114 HydrophobicContact SD-CD2 4.35Å; M110-L114 HydrophobicContact SD-CG 3.93Å; L114-L117 HydrophobicContact CD2-CD1 4.25Å; L114-L117 PolarHBondContact O-N 3.33Å; L114-A118 VanDerWaalsContact O-CB 3.28Å; L114-A118 WeakPolarHBondContact O-CB 3.29Å; L114-A118 PolarHBondContact O-N 3.22Å; L114-I130 HydrophobicContact CB-CD1 4.32Å; L114-I130 HydrophobicContact CD2-CD1 4.35Å; L114-I130 HydrophobicContact CD2-CG2 4.35Å; L114-I130 WeakPolarHBondContact O-CD1 3.26Å; L114-F132 HydrophobicContact CD1-CE1 3.99Å; L114-F132 HydrophobicContact CD1-CZ 4.22Å
115	G	82.7	Confident	73.2	Confident	38 Å²	38	80.8 Å²	80.8	39%	0.392	40%	0.4	S	S	.	.	H	α-helix	trans	-61	-42.3	172.3	0	0	0	0	0	112.3	T111 R112 F113 A118 S119	T111-G115 PolarHBondContact O-N 3.41Å; R112-G115 PolarHBondContact O-N 3.47Å; F113-G115 VanDerWaalsContact C-N 3.29Å; F113-G115 PolarHBondContact O-N 3.2Å; G115-A118 PolarHBondContact O-N 2.94Å; G115-S119 WeakPolarHBondContact O-CB 3.37Å; G115-S119 PolarHBondContact O-N 3.3Å; G115-S119 PolarHBondContact O-OG 2.92Å
116	K	80.1	Confident	71.9	Confident	124 Å²	124	81.7 Å²	81.7	54%	0.539	40%	0.404	S	S	.	.	H	α-helix	trans	-64.6	-41.9	173.9	-75.1	177.3	180	-176.5	0	112.4	R112 F113 A118 S119 Q120	R112-K116 WeakPolarHBondContact O-CG 3.37Å; R112-K116 PolarHBondContact O-N 3.08Å; F113-K116 WeakPolarHBondContact O-CB 3.41Å; F113-K116 PolarHBondContact O-N 2.82Å; F113-K116 VanDerWaalsContact O-N 3.13Å; K116-A118 VanDerWaalsContact C-N 3.31Å; K116-S119 WeakPolarHBondContact CA-OG 3.09Å; K116-S119 PolarHBondContact O-N 2.91Å; K116-S119 PolarHBondContact O-OG 3.49Å; K116-Q120 WeakPolarHBondContact O-CG 2.88Å; K116-Q120 PolarHBondContact O-N 2.94Å
117	L	79.2	Confident	71.3	Confident	16 Å²	16	86.6 Å²	86.6	8%	0.084	42%	0.421	C	S	.	.	H	α-helix	trans	-63.3	-39.3	174.5	-73.5	168.5	0	0	0	111.4	L92 F113 L114 I130	L92-L117 HydrophobicContact CD1-CD1 3.49Å; L92-L117 VanDerWaalsContact CD1-CD1 3.49Å; L92-L117 HydrophobicContact CD1-CD2 3.99Å; L92-L117 HydrophobicContact CD1-CG 4.39Å; F113-L117 HydrophobicContact CD1-CD1 3.69Å; F113-L117 HydrophobicContact CD1-CG 4.42Å; F113-L117 HydrophobicContact CE1-CD1 3.28Å; F113-L117 HydrophobicContact CE1-CG 4.09Å; F113-L117 HydrophobicContact CZ-CD1 3.94Å; F113-L117 HydrophobicContact CZ-CG 4.36Å; F113-L117 PolarHBondContact O-N 3.34Å; L114-L117 HydrophobicContact CD2-CD1 4.25Å; L114-L117 PolarHBondContact O-N 3.33Å; L117-I130 HydrophobicContact CB-CD1 4.39Å
118	A	75.9	Confident	71.1	Confident	25 Å²	25	84.6 Å²	84.6	21%	0.207	41%	0.412	C	S	.	.	H	α-helix	trans	-68.9	-35	176.7	0	0	0	0	0	113	L114 G115 K116 Q120 R127 I130	L114-A118 VanDerWaalsContact O-CB 3.28Å; L114-A118 WeakPolarHBondContact O-CB 3.29Å; L114-A118 PolarHBondContact O-N 3.22Å; G115-A118 PolarHBondContact O-N 2.94Å; K116-A118 VanDerWaalsContact C-N 3.31Å; A118-Q120 VanDerWaalsContact C-N 3.32Å; A118-R127 PolarHBondContact O-NH1 3.21Å; A118-R127 PolarHBondContact O-NH2 3.47Å; A118-I130 HydrophobicContact CB-CD1 4.02Å
119	S	68.9	Low	71.2	Confident	82 Å²	82	82.2 Å²	82.2	57%	0.573	40%	0.401	S	S	*	.	H	α-helix	trans	-80.7	-8.9	-179.3	65.4	0	0	0	0	114.3	G115 K116 E121	G115-S119 WeakPolarHBondContact O-CB 3.37Å; G115-S119 PolarHBondContact O-N 3.3Å; G115-S119 PolarHBondContact O-OG 2.92Å; K116-S119 WeakPolarHBondContact CA-OG 3.09Å; K116-S119 PolarHBondContact O-N 2.91Å; K116-S119 PolarHBondContact O-OG 3.49Å; S119-E121 PolarHBondContact O-N 3.42Å
120	Q	60.8	Low	71.3	Confident	83 Å²	83	81.9 Å²	81.9	39%	0.388	40%	0.399	S	S	.	.			trans	-73.6	74.3	173	-75	172.7	28	0	0	109.4	K116 A118 H122	K116-Q120 WeakPolarHBondContact O-CG 2.88Å; K116-Q120 PolarHBondContact O-N 2.94Å; A118-Q120 VanDerWaalsContact C-N 3.32Å; Q120-H122 PolarHBondContact O-N 3.46Å; Q120-H122 VanDerWaalsContact O-N 3.16Å
121	E	49.5	Very low	71.5	Confident	151 Å²	151	83 Å²	83	71%	0.706	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-10	-179.5	-69.9	-170.5	159.9	0	0	113.7	S119	S119-E121 PolarHBondContact O-N 3.42Å
122	H	48.5	Very low	71.8	Confident	101 Å²	101	84.5 Å²	84.5	47%	0.468	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.6	9.6	-155.4	-64.7	-32	0	0	0	116.3	Q120 S642	Q120-H122 PolarHBondContact O-N 3.46Å; Q120-H122 VanDerWaalsContact O-N 3.16Å; H122-S642 WeakPolarHBondContact CB-O 3.47Å; H122-S642 PolarHBondContact CD2-O 3.48Å
123	R	45.2	Very low	72	Confident	116 Å²	116	78.1 Å²	78.1	44%	0.438	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-101.3	118.6	167.8	-82	-178.5	169.3	-155.3	-14.9	108.8	L643	R123-L643 HydrophobicContact CG-CD2 4.12Å
124	E	48.6	Very low	72.3	Confident	188 Å²	188	80 Å²	80	88%	0.879	40%	0.395	S	S	*	.	S	Bend	trans	-65	134.6	142.4	-70.7	-174.2	159.3	0	0	106.6
125	P	52.5	Low	72.4	Confident	66 Å²	66	82.3 Å²	82.3	43%	0.429	41%	0.411	S	S	.	.	S	Bend	cis	-81	163.8	19.8	32.9	-35.3	0	0	0	114.9	N96 R127	N96-P125 WeakPolarHBondContact OD1-CG 3.48Å; P125-R127 PolarHBondContact O-N 2.79Å
126	K	59	Low	72.8	Confident	186 Å²	186	85.1 Å²	85.1	81%	0.809	42%	0.421	S	S	*	.			trans	-41.4	120.6	-179.6	-75.7	176.6	177.2	175.2	0	111.5
127	R	67.8	Low	73.2	Confident	140 Å²	140	80.1 Å²	80.1	53%	0.528	40%	0.4	S	S	.	.			trans	-48.7	130.1	175.8	172.4	-179.5	170.3	178.7	0.5	110.7	A118 P125 E129	A118-R127 PolarHBondContact O-NH1 3.21Å; A118-R127 PolarHBondContact O-NH2 3.47Å; P125-R127 PolarHBondContact O-N 2.79Å; R127-E129 PolarHBondContact O-N 3.38Å
128	P	79.5	Confident	73.7	Confident	23 Å²	23	79.4 Å²	79.4	15%	0.149	40%	0.396	C	S	.	.			trans	-65.6	134	172.6	22.9	-30.2	0	0	0	111.1	P97 Q98 V100 I130	P97-P128 WeakPolarHBondContact O-CB 3.38Å; Q98-P128 CarbonylContact O-C 3.23Å; Q98-P128 VanDerWaalsContact O-CA 3.27Å; Q98-P128 WeakPolarHBondContact O-CA 3.33Å; V100-P128 HydrophobicContact CG2-CB 3.75Å; V100-P128 HydrophobicContact CG2-CG 4.19Å; P128-I130 PolarHBondContact O-N 3.01Å
129	E	85.7	Confident	74.4	Confident	102 Å²	102	79.3 Å²	79.3	48%	0.477	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	114.9	167.3	-169.8	-170.9	177.5	0	0	108.6	Q98 S99 V100 R127 I131 R193	Q98-E129 PolarHBondContact O-N 2.68Å; S99-E129 CarbonylContact C-O 3.44Å; S99-E129 WeakPolarHBondContact CA-O 3.3Å; V100-E129 PolarHBondContact N-O 2.86Å; R127-E129 PolarHBondContact O-N 3.38Å; E129-I131 HydrophobicContact CB-CG1 4.48Å; E129-I131 HydrophobicContact CG-CD1 4.15Å; E129-I131 HydrophobicContact CG-CG1 3.88Å; E129-R193 IonicContact OE1-NH2 2.67Å; E129-R193 PolarHBondContact OE1-NH2 2.69Å; E129-R193 IonicContact OE2-NH2 3.42Å
130	I	87.9	Confident	75.4	Confident	34 Å²	34	78.1 Å²	78.1	17%	0.174	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	118.9	177.8	-56	177.4	0	0	0	108.5	V100 L114 L117 A118 P128 F132	V100-I130 WeakPolarHBondContact O-CA 3.24Å; L114-I130 HydrophobicContact CB-CD1 4.32Å; L114-I130 HydrophobicContact CD2-CD1 4.35Å; L114-I130 HydrophobicContact CD2-CG2 4.35Å; L114-I130 WeakPolarHBondContact O-CD1 3.26Å; L117-I130 HydrophobicContact CB-CD1 4.39Å; A118-I130 HydrophobicContact CB-CD1 4.02Å; P128-I130 PolarHBondContact O-N 3.01Å; I130-F132 HydrophobicContact CG2-CD2 4.41Å; I130-F132 HydrophobicContact CG2-CE1 4.35Å; I130-F132 HydrophobicContact CG2-CE2 3.71Å; I130-F132 HydrophobicContact CG2-CZ 3.68Å
131	I	89.3	Confident	76.8	Confident	23 Å²	23	79.6 Å²	79.6	12%	0.118	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	118.6	-172.8	-57.4	176.8	0	0	0	109.3	V100 V101 T102 E129 F189	V100-I131 PolarHBondContact O-N 2.98Å; V101-I131 WeakPolarHBondContact CA-O 3.49Å; V101-I131 HydrophobicContact CG2-CB 4.21Å; T102-I131 PolarHBondContact N-O 2.82Å; E129-I131 HydrophobicContact CB-CG1 4.48Å; E129-I131 HydrophobicContact CG-CD1 4.15Å; E129-I131 HydrophobicContact CG-CG1 3.88Å; I131-F189 HydrophobicContact CD1-CD2 4.39Å; I131-F189 HydrophobicContact CD1-CE2 3.31Å; I131-F189 HydrophobicContact CD1-CZ 3.54Å; I131-F189 HydrophobicContact CG1-CE2 4.48Å; I131-F189 HydrophobicContact CG2-CD2 4.3Å; I131-F189 HydrophobicContact CG2-CE2 4.09Å
132	F	91.1	Very high	78.8	Confident	112 Å²	112	76.1 Å²	76.1	49%	0.491	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	119	176.6	-63.3	-79	0	0	0	110.5	T102 A104 L114 I130	T102-F132 HydrophobicContact CG2-CD1 3.66Å; T102-F132 HydrophobicContact CG2-CE1 3.62Å; T102-F132 WeakPolarHBondContact O-CA 3.38Å; A104-F132 HydrophobicContact CB-CB 4.26Å; L114-F132 HydrophobicContact CD1-CE1 3.99Å; L114-F132 HydrophobicContact CD1-CZ 4.22Å; I130-F132 HydrophobicContact CG2-CD2 4.41Å; I130-F132 HydrophobicContact CG2-CE1 4.35Å; I130-F132 HydrophobicContact CG2-CE2 3.71Å; I130-F132 HydrophobicContact CG2-CZ 3.68Å
133	L	90.5	Very high	80.9	Confident	3 Å²	3	71.3 Å²	71.3	2%	0.016	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	149.2	171.4	-71.4	-179.6	0	0	0	110.6	V101 T102 S103 A104 F138 F189	V101-L133 HydrophobicContact CG1-CD1 3.69Å; V101-L133 HydrophobicContact CG1-CG 4.05Å; T102-L133 PolarHBondContact O-N 3.46Å; S103-L133 CarbonylContact C-O 3.54Å; S103-L133 WeakPolarHBondContact CA-O 3.39Å; A104-L133 PolarHBondContact N-O 3.35Å; L133-F138 HydrophobicContact CB-CE2 3.51Å; L133-F138 HydrophobicContact CB-CZ 3.92Å; L133-F138 HydrophobicContact CD1-CZ 4.33Å; L133-F189 HydrophobicContact CD1-CB 3.99Å
134	P	90.8	Very high	83	Confident	59 Å²	59	68.5 Å²	68.5	38%	0.383	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-51.7	141	177	-27.5	35	0	0	0	112.6	V136 D137 F138	P134-V136 HydrophobicContact CB-CG2 3.77Å; P134-V136 PolarHBondContact O-N 2.89Å; P134-V136 VanDerWaalsContact O-N 3.11Å; P134-D137 WeakPolarHBondContact CD-OD2 3.42Å; P134-D137 WeakPolarHBondContact O-CB 3.2Å; P134-D137 PolarHBondContact O-N 2.91Å; P134-F138 WeakPolarHBondContact O-CD2 3.33Å
135	S	87.5	Confident	85	Confident	56 Å²	56	64.4 Å²	64.4	39%	0.392	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-59.2	-28.6	-178	57.7	0	0	0	0	113.6	D137 F138	S135-D137 PolarHBondContact O-N 3.31Å; S135-F138 PolarHBondContact O-N 2.85Å; S135-F138 VanDerWaalsContact O-N 3.08Å
136	V	89.6	Confident	86.8	Confident	97 Å²	97	63.5 Å²	63.5	59%	0.588	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-60.8	-30.3	173.8	-65.6	0	0	0	0	112.7	P134 F138 G139 I142	P134-V136 HydrophobicContact CB-CG2 3.77Å; P134-V136 PolarHBondContact O-N 2.89Å; P134-V136 VanDerWaalsContact O-N 3.11Å; V136-F138 PolarHBondContact O-N 3.39Å; V136-G139 PolarHBondContact O-N 3.27Å; V136-G139 VanDerWaalsContact O-N 3.17Å; V136-I142 WeakPolarHBondContact O-CD1 3.41Å
137	D	88.9	Confident	88.2	Confident	20 Å²	20	54.7 Å²	54.7	11%	0.107	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-71.6	-16	177.2	-76.5	-38.1	0	0	0	112.6	P134 S135 R146 K188	P134-D137 WeakPolarHBondContact CD-OD2 3.42Å; P134-D137 WeakPolarHBondContact O-CB 3.2Å; P134-D137 PolarHBondContact O-N 2.91Å; S135-D137 PolarHBondContact O-N 3.31Å; D137-R146 PolarHBondContact O-NH1 3.19Å; D137-R146 IonicContact OD1-CZ 3.8Å; D137-R146 IonicContact OD1-NH1 2.64Å; D137-R146 IonicContact OD1-NH2 2.66Å; D137-R146 PolarHBondContact OD1-NH2 3.05Å; D137-K188 HydrophobicContact CB-CG 4.26Å
138	F	90	Very high	89.1	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-104.2	17.4	174.5	-58.8	-93	0	0	0	111.8	L55 V101 T102 S103 L133 P134 S135 V136 R181	L55-F138 HydrophobicContact CD1-CB 4.38Å; L55-F138 HydrophobicContact CD1-CD1 3.8Å; L55-F138 HydrophobicContact CD1-CG 4.45Å; L55-F138 HydrophobicContact CD2-CD1 3.81Å; L55-F138 HydrophobicContact CD2-CE1 4.06Å; L55-F138 HydrophobicContact CD2-CG 4.24Å; L55-F138 HydrophobicContact CG-CD1 4.11Å; L55-F138 HydrophobicContact CG-CE1 4.43Å; V101-F138 HydrophobicContact CG1-CZ 4.35Å; T102-F138 WeakPolarHBondContact O-CZ 3.23Å; S103-F138 VanDerWaalsContact CB-CD2 3.45Å; L133-F138 HydrophobicContact CB-CE2 3.51Å; L133-F138 HydrophobicContact CB-CZ 3.92Å; L133-F138 HydrophobicContact CD1-CZ 4.33Å; P134-F138 WeakPolarHBondContact O-CD2 3.33Å; S135-F138 PolarHBondContact O-N 2.85Å; S135-F138 VanDerWaalsContact O-N 3.08Å; V136-F138 PolarHBondContact O-N 3.39Å; F138-R181 WeakPolarHBondContact O-CG 3.41Å; F138-R181 PolarHBondContact O-NE 3.12Å; F138-R181 PolarHBondContact O-NH2 3.4Å
139	G	91.1	Very high	89.3	Confident	24 Å²	24	53.1 Å²	53.1	25%	0.247	28%	0.284	C	S	.	.			trans	-60	136.6	171.9	0	0	0	0	0	110.6	V136 E141 I142 S143	V136-G139 PolarHBondContact O-N 3.27Å; V136-G139 VanDerWaalsContact O-N 3.17Å; G139-E141 PolarHBondContact O-N 2.89Å; G139-I142 PolarHBondContact O-N 2.86Å; G139-S143 VanDerWaalsContact O-CB 3.27Å; G139-S143 WeakPolarHBondContact O-CB 3.22Å; G139-S143 PolarHBondContact O-N 2.98Å; G139-S143 PolarHBondContact O-OG 2.96Å
140	L	89.4	Confident	89.1	Confident	57 Å²	57	49 Å²	49	30%	0.298	27%	0.27	S	S	.	.	H	α-helix	trans	-58.2	-51	-176.2	178.9	67.4	0	0	0	111.7	S143 K144 L177 V180 R181	L140-S143 WeakPolarHBondContact O-CB 3.48Å; L140-S143 PolarHBondContact O-N 3.36Å; L140-K144 WeakPolarHBondContact O-CG 3.18Å; L140-K144 PolarHBondContact O-N 3.12Å; L140-L177 HydrophobicContact CD1-CB 4.37Å; L140-L177 HydrophobicContact CD1-CD2 4.01Å; L140-L177 HydrophobicContact CD2-CD2 3.91Å; L140-V180 HydrophobicContact CD1-CB 4.35Å; L140-V180 HydrophobicContact CD1-CG1 4.01Å; L140-R181 HydrophobicContact CB-CG 4.35Å; L140-R181 HydrophobicContact CD1-CG 4.12Å
141	E	91	Very high	88.6	Confident	113 Å²	113	52 Å²	52	53%	0.528	29%	0.286	S	S	.	.	H	α-helix	trans	-64.5	-44.8	-177.6	-169.2	54.1	-142.1	0	0	111.3	G139 S143 K144 Q145	G139-E141 PolarHBondContact O-N 2.89Å; E141-S143 VanDerWaalsContact C-N 3.27Å; E141-S143 PolarHBondContact O-N 2.88Å; E141-K144 PolarHBondContact O-N 3.46Å; E141-Q145 VanDerWaalsContact O-CG 3.28Å; E141-Q145 WeakPolarHBondContact O-CG 3.32Å; E141-Q145 PolarHBondContact O-N 3.5Å; E141-Q145 PolarHBondContact OE1-NE2 3Å
142	I	91.8	Very high	88.1	Confident	78 Å²	78	51.1 Å²	51.1	40%	0.4	28%	0.281	S	S	.	.	H	α-helix	trans	-60.1	-39.9	176	-64.4	169.8	0	0	0	110.9	V136 G139 Q145 R146	V136-I142 WeakPolarHBondContact O-CD1 3.41Å; G139-I142 PolarHBondContact O-N 2.86Å; I142-Q145 PolarHBondContact O-N 3.2Å; I142-R146 VanDerWaalsContact CG2-CZ 3.42Å; I142-R146 VanDerWaalsContact O-CG 3.3Å; I142-R146 WeakPolarHBondContact O-CG 3.49Å; I142-R146 PolarHBondContact O-N 3.38Å
143	S	92.4	Very high	87.1	Confident	0 Å²	0	47 Å²	47	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-67.4	-42.7	178.9	-59.1	0	0	0	0	111.8	G139 L140 E141 R146 L147 V180	G139-S143 VanDerWaalsContact O-CB 3.27Å; G139-S143 WeakPolarHBondContact O-CB 3.22Å; G139-S143 PolarHBondContact O-N 2.98Å; G139-S143 PolarHBondContact O-OG 2.96Å; L140-S143 WeakPolarHBondContact O-CB 3.48Å; L140-S143 PolarHBondContact O-N 3.36Å; E141-S143 VanDerWaalsContact C-N 3.27Å; E141-S143 PolarHBondContact O-N 2.88Å; S143-R146 PolarHBondContact O-N 3.21Å; S143-L147 WeakPolarHBondContact O-CG 3.24Å; S143-L147 PolarHBondContact O-N 3.35Å; S143-V180 WeakPolarHBondContact CB-O 3.27Å
144	K	89.5	Confident	86.3	Confident	57 Å²	57	48.8 Å²	48.8	25%	0.248	27%	0.274	C	S	.	.	H	α-helix	trans	-59.9	-48.7	172.5	-73.2	-174.6	176.9	-172.9	0	111	L140 E141 R146 L147 L148 F174 V180	L140-K144 WeakPolarHBondContact O-CG 3.18Å; L140-K144 PolarHBondContact O-N 3.12Å; E141-K144 PolarHBondContact O-N 3.46Å; K144-R146 VanDerWaalsContact C-N 3.33Å; K144-R146 PolarHBondContact O-N 3.19Å; K144-L147 PolarHBondContact O-N 3.26Å; K144-L147 VanDerWaalsContact O-N 3.17Å; K144-L148 WeakPolarHBondContact O-CG 3.4Å; K144-L148 PolarHBondContact O-N 2.9Å; K144-F174 HydrophobicContact CD-CD1 4.49Å; K144-F174 HydrophobicContact CG-CD1 4.13Å; K144-F174 HydrophobicContact CG-CE1 4.32Å; K144-V180 HydrophobicContact CG-CG1 3.65Å
145	Q	89.5	Confident	85.6	Confident	102 Å²	102	46.6 Å²	46.6	48%	0.477	26%	0.259	S	S	.	.	H	α-helix	trans	-59.9	-41.7	178.4	-68	-60.3	-28.9	0	0	112	E141 I142 L147 L148 S149	E141-Q145 VanDerWaalsContact O-CG 3.28Å; E141-Q145 WeakPolarHBondContact O-CG 3.32Å; E141-Q145 PolarHBondContact O-N 3.5Å; E141-Q145 PolarHBondContact OE1-NE2 3Å; I142-Q145 PolarHBondContact O-N 3.2Å; Q145-L147 PolarHBondContact O-N 2.88Å; Q145-L148 PolarHBondContact O-N 3.48Å; Q145-S149 VanDerWaalsContact O-CB 3.25Å; Q145-S149 WeakPolarHBondContact O-CB 3.34Å; Q145-S149 PolarHBondContact O-N 3.32Å; Q145-S149 PolarHBondContact O-OG 3.44Å
146	R	90.3	Very high	84.7	Confident	48 Å²	48	47.5 Å²	47.5	18%	0.181	26%	0.263	C	S	.	.	H	α-helix	trans	-63.2	-38.6	175.5	-75	174.2	-169.5	160.8	4.5	113.3	D137 I142 S143 K144 G150 G184 K188	D137-R146 PolarHBondContact O-NH1 3.19Å; D137-R146 IonicContact OD1-CZ 3.8Å; D137-R146 IonicContact OD1-NH1 2.64Å; D137-R146 IonicContact OD1-NH2 2.66Å; D137-R146 PolarHBondContact OD1-NH2 3.05Å; I142-R146 VanDerWaalsContact CG2-CZ 3.42Å; I142-R146 VanDerWaalsContact O-CG 3.3Å; I142-R146 WeakPolarHBondContact O-CG 3.49Å; I142-R146 PolarHBondContact O-N 3.38Å; S143-R146 PolarHBondContact O-N 3.21Å; K144-R146 VanDerWaalsContact C-N 3.33Å; K144-R146 PolarHBondContact O-N 3.19Å; R146-G150 PolarHBondContact O-N 3.25Å; R146-G150 VanDerWaalsContact O-N 3.16Å; R146-G184 PolarHBondContact NH1-O 2.81Å; R146-K188 VanDerWaalsContact NH1-CB 3.35Å
147	L	88.1	Confident	83.7	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-66.3	-44.2	175.3	-76.3	164.2	0	0	0	110.9	S143 K144 Q145 Y152 I172 F174 V180 L183 L187 F211	S143-L147 WeakPolarHBondContact O-CG 3.24Å; S143-L147 PolarHBondContact O-N 3.35Å; K144-L147 PolarHBondContact O-N 3.26Å; K144-L147 VanDerWaalsContact O-N 3.17Å; Q145-L147 PolarHBondContact O-N 2.88Å; L147-Y152 WeakPolarHBondContact CA-OH 3.27Å; L147-Y152 WeakPolarHBondContact O-CE2 3.27Å; L147-Y152 PolarHBondContact O-OH 3.35Å; L147-I172 HydrophobicContact CD2-CD1 3.98Å; L147-F174 HydrophobicContact CB-CE1 4.44Å; L147-F174 HydrophobicContact CB-CZ 4.47Å; L147-F174 HydrophobicContact CD1-CE1 4.1Å; L147-V180 HydrophobicContact CD1-CG1 4.07Å; L147-L183 HydrophobicContact CD1-CB 3.99Å; L147-L183 HydrophobicContact CD1-CD1 4.3Å; L147-L183 HydrophobicContact CD2-CB 4.01Å; L147-L183 HydrophobicContact CD2-CD1 4.45Å; L147-L183 HydrophobicContact CG-CB 4.41Å; L147-L187 HydrophobicContact CD2-CD1 3.6Å; L147-L187 HydrophobicContact CG-CD1 4.07Å; L147-F211 HydrophobicContact CD2-CE1 4.21Å; L147-F211 HydrophobicContact CD2-CZ 4.08Å
148	L	86.7	Confident	82.8	Confident	40 Å²	40	53.9 Å²	53.9	21%	0.209	31%	0.307	C	S	.	.	H	α-helix	trans	-73.8	-32	-178.3	-63.5	177.4	0	0	0	112.9	K144 Q145 K164 I165 L168 F174	K144-L148 WeakPolarHBondContact O-CG 3.4Å; K144-L148 PolarHBondContact O-N 2.9Å; Q145-L148 PolarHBondContact O-N 3.48Å; L148-K164 WeakPolarHBondContact O-CE 3.23Å; L148-K164 PolarHBondContact O-NZ 3.14Å; L148-I165 HydrophobicContact CD1-CD1 4.46Å; L148-I165 HydrophobicContact CD1-CG1 4.03Å; L148-I165 HydrophobicContact CD2-CB 4.3Å; L148-I165 HydrophobicContact CD2-CG1 3.74Å; L148-I165 HydrophobicContact CD2-CG2 4.43Å; L148-I165 HydrophobicContact CG-CG1 4.38Å; L148-L168 HydrophobicContact CD2-CB 4.48Å; L148-L168 HydrophobicContact CD2-CD1 3.86Å; L148-F174 HydrophobicContact CD2-CZ 4.03Å
149	S	84.3	Confident	82.1	Confident	90 Å²	90	56.6 Å²	56.6	63%	0.629	32%	0.321	S	S	*	.	H	α-helix	trans	-84.3	-10.5	178.7	70.4	0	0	0	0	114.2	Q145	Q145-S149 VanDerWaalsContact O-CB 3.25Å; Q145-S149 WeakPolarHBondContact O-CB 3.34Å; Q145-S149 PolarHBondContact O-N 3.32Å; Q145-S149 PolarHBondContact O-OG 3.44Å
150	G	81.2	Confident	81.7	Confident	17 Å²	17	59 Å²	59	18%	0.175	33%	0.331	C	S	.	.			trans	-60.2	139.8	-179.8	0	0	0	0	0	113.3	R146 Y152 K164	R146-G150 PolarHBondContact O-N 3.25Å; R146-G150 VanDerWaalsContact O-N 3.16Å; G150-Y152 PolarHBondContact O-N 2.87Å; G150-K164 PolarHBondContact O-NZ 3.09Å
151	N	77.4	Confident	81.2	Confident	96 Å²	96	59.8 Å²	59.8	51%	0.513	35%	0.346	S	S	.	.			trans	-91.1	94.8	176.6	-170	-4.8	0	0	0	110.8	K324	N151-K324 PolarHBondContact O-NZ 3.29Å
152	Y	80.1	Confident	80.9	Confident	5 Å²	5	59 Å²	59	2%	0.02	35%	0.349	C	S	.	.			trans	-100	129.7	-173.2	-58.6	-52.1	0	0	0	111.9	L147 G150 F154 I155 L168 I208 F211	L147-Y152 WeakPolarHBondContact CA-OH 3.27Å; L147-Y152 WeakPolarHBondContact O-CE2 3.27Å; L147-Y152 PolarHBondContact O-OH 3.35Å; G150-Y152 PolarHBondContact O-N 2.87Å; Y152-F154 HydrophobicContact CD1-CE1 4.28Å; Y152-F154 HydrophobicContact CD1-CZ 4.27Å; Y152-F154 HydrophobicContact CD2-CZ 4.35Å; Y152-F154 HydrophobicContact CG-CE1 4.08Å; Y152-F154 AromaticContact CG-CZ 3.84Å; Y152-F154 HydrophobicContact CG-CZ 3.84Å; Y152-F154 PolarHBondContact O-N 3.37Å; Y152-I155 HydrophobicContact CD2-CD1 3.72Å; Y152-I155 HydrophobicContact CD2-CG1 4.49Å; Y152-I155 HydrophobicContact CG-CD1 4.41Å; Y152-I155 PolarHBondContact O-N 3.24Å; Y152-I155 VanDerWaalsContact O-N 3.12Å; Y152-L168 HydrophobicContact CD2-CD1 4.39Å; Y152-L168 HydrophobicContact CD2-CD2 4.04Å; Y152-L168 HydrophobicContact CE2-CD1 3.94Å; Y152-L168 HydrophobicContact CE2-CD2 3.88Å; Y152-I208 HydrophobicContact CD1-CB 4.09Å; Y152-I208 HydrophobicContact CD1-CD1 4.34Å; Y152-I208 HydrophobicContact CD1-CG2 4.07Å; Y152-I208 HydrophobicContact CE1-CB 4.43Å; Y152-I208 HydrophobicContact CE1-CD1 3.9Å; Y152-I208 HydrophobicContact CE1-CG2 4.3Å; Y152-F211 AromaticContact CD1-CE2 3.94Å; Y152-F211 HydrophobicContact CD1-CE2 3.94Å; Y152-F211 HydrophobicContact CD1-CZ 4.36Å; Y152-F211 HydrophobicContact CD2-CE2 4.31Å; Y152-F211 AromaticContact CE1-CE2 3.57Å; Y152-F211 HydrophobicContact CE1-CE2 3.57Å; Y152-F211 AromaticContact CE1-CZ 3.58Å; Y152-F211 HydrophobicContact CE1-CZ 3.58Å; Y152-F211 AromaticContact CE2-CE2 3.93Å; Y152-F211 HydrophobicContact CE2-CE2 3.93Å; Y152-F211 HydrophobicContact CE2-CZ 4.36Å; Y152-F211 HydrophobicContact CG-CE2 4.32Å; Y152-F211 AromaticContact CZ-CE2 3.56Å; Y152-F211 AromaticContact CZ-CZ 3.59Å
153	S	69.4	Low	80.5	Confident	25 Å²	25	59.7 Å²	59.7	18%	0.175	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-25.1	-172.7	-40	0	0	0	0	114	I208 K324	S153-I208 PolarHBondContact OG-O 2.88Å; S153-K324 VanDerWaalsContact OG-CD 3.28Å; S153-K324 WeakPolarHBondContact OG-CD 3.38Å; S153-K324 WeakPolarHBondContact OG-CE 3.43Å; S153-K324 PolarHBondContact OG-NZ 3.49Å
154	F	73.6	Confident	80.1	Confident	41 Å²	41	61.7 Å²	61.7	18%	0.18	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	0.2	-178.2	56.5	-88.9	0	0	0	113	Y152 F167 I171 I208 L209 G210 F211	Y152-F154 HydrophobicContact CD1-CE1 4.28Å; Y152-F154 HydrophobicContact CD1-CZ 4.27Å; Y152-F154 HydrophobicContact CD2-CZ 4.35Å; Y152-F154 HydrophobicContact CG-CE1 4.08Å; Y152-F154 AromaticContact CG-CZ 3.84Å; Y152-F154 HydrophobicContact CG-CZ 3.84Å; Y152-F154 PolarHBondContact O-N 3.37Å; F154-F167 AromaticContact CD2-CE1 3.77Å; F154-F167 HydrophobicContact CD2-CE1 3.77Å; F154-F167 HydrophobicContact CD2-CZ 4.23Å; F154-F167 AromaticContact CE2-CE1 3.83Å; F154-F167 HydrophobicContact CE2-CE1 3.83Å; F154-I171 HydrophobicContact CE2-CD1 4.46Å; F154-I208 HydrophobicContact CE1-CG2 4.42Å; F154-L209 WeakPolarHBondContact CD1-O 3.47Å; F154-G210 VanDerWaalsContact CE1-CA 3.42Å; F154-F211 HydrophobicContact CE1-CD2 4.44Å; F154-F211 HydrophobicContact CE2-CD2 4.43Å; F154-F211 AromaticContact CZ-CD2 3.62Å; F154-F211 HydrophobicContact CZ-CD2 3.62Å; F154-F211 AromaticContact CZ-CE2 3.88Å; F154-F211 HydrophobicContact CZ-CE2 3.88Å
155	I	75.2	Confident	79.9	Confident	13 Å²	13	62.6 Å²	62.6	7%	0.067	37%	0.366	C	S	.	.	S	Bend	trans	-106.2	115.5	173.2	-57.7	-170.4	0	0	0	107.5	Y152 M159 K164 F167 L168	Y152-I155 HydrophobicContact CD2-CD1 3.72Å; Y152-I155 HydrophobicContact CD2-CG1 4.49Å; Y152-I155 HydrophobicContact CG-CD1 4.41Å; Y152-I155 PolarHBondContact O-N 3.24Å; Y152-I155 VanDerWaalsContact O-N 3.12Å; I155-M159 HydrophobicContact CG2-CB 4.46Å; I155-M159 HydrophobicContact CG2-SD 3.75Å; I155-K164 HydrophobicContact CD1-CG 4.03Å; I155-K164 HydrophobicContact CG2-CD 4.49Å; I155-K164 HydrophobicContact CG2-CG 4.14Å; I155-F167 HydrophobicContact CD1-CD1 3.8Å; I155-F167 HydrophobicContact CD1-CE1 4.11Å; I155-F167 HydrophobicContact CG1-CD1 3.89Å; I155-F167 HydrophobicContact CG1-CE1 3.8Å; I155-L168 HydrophobicContact CD1-CD1 4.31Å; I155-L168 HydrophobicContact CD1-CD2 3.83Å; I155-L168 HydrophobicContact CD1-CG 3.89Å
156	P	69.1	Low	79.7	Confident	75 Å²	75	63.3 Å²	63.3	49%	0.487	37%	0.372	S	S	.	.			trans	-57.5	137	176.3	-24.8	32.7	0	0	0	112.6	A158 M159	P156-A158 PolarHBondContact O-N 2.87Å; P156-A158 VanDerWaalsContact O-N 3.13Å; P156-M159 HydrophobicContact CB-CG 4.42Å; P156-M159 HydrophobicContact CG-SD 4.45Å; P156-M159 WeakPolarHBondContact O-CB 3.29Å; P156-M159 PolarHBondContact O-N 2.9Å
157	D	68.6	Low	79.5	Confident	153 Å²	153	64.5 Å²	64.5	82%	0.818	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-22.1	176.3	-67.8	-39	0	0	0	113.1	M159	D157-M159 VanDerWaalsContact C-N 3.25Å; D157-M159 PolarHBondContact O-N 3.28Å
158	A	70.5	Confident	79.4	Confident	97 Å²	97	64.5 Å²	64.5	80%	0.802	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-14.6	176.5	0	0	0	0	0	113.8	P156	P156-A158 PolarHBondContact O-N 2.87Å; P156-A158 VanDerWaalsContact O-N 3.13Å
159	M	75.4	Confident	79.4	Confident	58 Å²	58	65.4 Å²	65.4	29%	0.286	39%	0.388	S	S	.	.	S	Bend	trans	-68.7	133.8	179.1	-77.4	179.1	89.1	0	0	110.9	I155 P156 D157 E163 F167	I155-M159 HydrophobicContact CG2-CB 4.46Å; I155-M159 HydrophobicContact CG2-SD 3.75Å; P156-M159 HydrophobicContact CB-CG 4.42Å; P156-M159 HydrophobicContact CG-SD 4.45Å; P156-M159 WeakPolarHBondContact O-CB 3.29Å; P156-M159 PolarHBondContact O-N 2.9Å; D157-M159 VanDerWaalsContact C-N 3.25Å; D157-M159 PolarHBondContact O-N 3.28Å; M159-E163 HydrophobicContact CB-CB 4.37Å; M159-E163 HydrophobicContact CE-CB 3.72Å; M159-F167 HydrophobicContact CE-CB 3.84Å; M159-F167 HydrophobicContact CE-CG 4.33Å
160	T	81.8	Confident	79.4	Confident	74 Å²	74	65.6 Å²	65.6	45%	0.454	39%	0.39	S	S	.	.			trans	-63.9	156.8	171.4	62.5	0	0	0	0	110.7	T162 E163 K164	T160-T162 PolarHBondContact O-N 3.29Å; T160-E163 WeakPolarHBondContact CB-OE2 3.06Å; T160-E163 PolarHBondContact N-OE2 2.99Å; T160-E163 PolarHBondContact O-N 3.34Å; T160-E163 VanDerWaalsContact O-N 3.15Å; T160-E163 WeakPolarHBondContact OG1-CB 3.23Å; T160-E163 WeakPolarHBondContact OG1-CG 3.39Å; T160-E163 PolarHBondContact OG1-N 3.32Å; T160-E163 PolarHBondContact OG1-OE2 2.89Å; T160-K164 PolarHBondContact O-N 3.14Å
161	A	80.1	Confident	79.5	Confident	74 Å²	74	67.2 Å²	67.2	61%	0.612	39%	0.394	S	S	*	.	H	α-helix	trans	-55.3	-36.4	177.1	0	0	0	0	0	112.3	K164 I165	A161-K164 PolarHBondContact O-N 2.74Å; A161-I165 WeakPolarHBondContact O-CD1 3.37Å; A161-I165 WeakPolarHBondContact O-CG1 3.44Å; A161-I165 PolarHBondContact O-N 3.2Å
162	T	83.7	Confident	80	Confident	97 Å²	97	62.7 Å²	62.7	60%	0.595	37%	0.369	S	S	*	.	H	α-helix	trans	-68	-44.1	178.2	-47.8	0	0	0	0	112.2	T160 K164 I165 L166	T160-T162 PolarHBondContact O-N 3.29Å; T162-K164 VanDerWaalsContact C-N 3.35Å; T162-I165 PolarHBondContact O-N 3.02Å; T162-L166 HydrophobicContact CG2-CD1 4.49Å; T162-L166 WeakPolarHBondContact O-CG 3.45Å; T162-L166 PolarHBondContact O-N 3.28Å
163	E	84.4	Confident	80.2	Confident	92 Å²	92	64.1 Å²	64.1	43%	0.43	38%	0.38	S	S	.	.	H	α-helix	trans	-65.2	-39.9	176	-70.3	163.6	150.8	0	0	111.4	M159 T160 I165 L166 F167	M159-E163 HydrophobicContact CB-CB 4.37Å; M159-E163 HydrophobicContact CE-CB 3.72Å; T160-E163 WeakPolarHBondContact CB-OE2 3.06Å; T160-E163 PolarHBondContact N-OE2 2.99Å; T160-E163 PolarHBondContact O-N 3.34Å; T160-E163 VanDerWaalsContact O-N 3.15Å; T160-E163 WeakPolarHBondContact OG1-CB 3.23Å; T160-E163 WeakPolarHBondContact OG1-CG 3.39Å; T160-E163 PolarHBondContact OG1-N 3.32Å; T160-E163 PolarHBondContact OG1-OE2 2.89Å; E163-I165 VanDerWaalsContact C-N 3.33Å; E163-I165 PolarHBondContact O-N 2.69Å; E163-L166 PolarHBondContact O-N 2.79Å; E163-F167 WeakPolarHBondContact O-CB 3.28Å; E163-F167 PolarHBondContact O-N 3.44Å
164	K	83.8	Confident	81.1	Confident	42 Å²	42	64.4 Å²	64.4	18%	0.183	38%	0.378	C	S	.	.	H	α-helix	trans	-59.1	-44.2	174.5	-178.1	178.7	-173.7	-169.8	0	111.6	L148 G150 I155 T160 A161 T162 F167 L168	L148-K164 WeakPolarHBondContact O-CE 3.23Å; L148-K164 PolarHBondContact O-NZ 3.14Å; G150-K164 PolarHBondContact O-NZ 3.09Å; I155-K164 HydrophobicContact CD1-CG 4.03Å; I155-K164 HydrophobicContact CG2-CD 4.49Å; I155-K164 HydrophobicContact CG2-CG 4.14Å; T160-K164 PolarHBondContact O-N 3.14Å; A161-K164 PolarHBondContact O-N 2.74Å; T162-K164 VanDerWaalsContact C-N 3.35Å; K164-F167 PolarHBondContact O-N 2.94Å; K164-L168 HydrophobicContact CG-CD1 4.11Å; K164-L168 WeakPolarHBondContact O-CB 3.37Å; K164-L168 WeakPolarHBondContact O-CG 3.32Å; K164-L168 PolarHBondContact O-N 2.77Å
165	I	84.6	Confident	81.7	Confident	75 Å²	75	69.7 Å²	69.7	39%	0.385	41%	0.408	S	S	.	.	H	α-helix	trans	-61.5	-48	176.1	-69	161.4	0	0	0	110.5	L148 A161 T162 E163 F167 L168 S169	L148-I165 HydrophobicContact CD1-CD1 4.46Å; L148-I165 HydrophobicContact CD1-CG1 4.03Å; L148-I165 HydrophobicContact CD2-CB 4.3Å; L148-I165 HydrophobicContact CD2-CG1 3.74Å; L148-I165 HydrophobicContact CD2-CG2 4.43Å; L148-I165 HydrophobicContact CG-CG1 4.38Å; A161-I165 WeakPolarHBondContact O-CD1 3.37Å; A161-I165 WeakPolarHBondContact O-CG1 3.44Å; A161-I165 PolarHBondContact O-N 3.2Å; T162-I165 PolarHBondContact O-N 3.02Å; E163-I165 VanDerWaalsContact C-N 3.33Å; E163-I165 PolarHBondContact O-N 2.69Å; I165-F167 VanDerWaalsContact C-N 3.34Å; I165-F167 PolarHBondContact O-N 2.94Å; I165-L168 PolarHBondContact O-N 2.83Å; I165-S169 VanDerWaalsContact O-CB 3.27Å; I165-S169 WeakPolarHBondContact O-CB 3.32Å; I165-S169 PolarHBondContact O-N 3.46Å; I165-S169 PolarHBondContact O-OG 3.41Å
166	L	86.1	Confident	82.3	Confident	118 Å²	118	70.2 Å²	70.2	62%	0.618	41%	0.413	S	S	*	.	H	α-helix	trans	-60.1	-43.4	178	-73.9	166.7	0	0	0	112	T162 E163 S169 S170	T162-L166 HydrophobicContact CG2-CD1 4.49Å; T162-L166 WeakPolarHBondContact O-CG 3.45Å; T162-L166 PolarHBondContact O-N 3.28Å; E163-L166 PolarHBondContact O-N 2.79Å; L166-S169 PolarHBondContact O-N 3.23Å; L166-S170 PolarHBondContact O-N 3.14Å; L166-S170 VanDerWaalsContact O-N 3.07Å
167	F	84.9	Confident	83.4	Confident	73 Å²	73	70.8 Å²	70.8	32%	0.32	41%	0.411	S	S	.	.	H	α-helix	trans	-65.5	-47.4	178.3	179.3	-97.5	0	0	0	112.3	F154 I155 M159 E163 K164 I165 S169 S170 I171	F154-F167 AromaticContact CD2-CE1 3.77Å; F154-F167 HydrophobicContact CD2-CE1 3.77Å; F154-F167 HydrophobicContact CD2-CZ 4.23Å; F154-F167 AromaticContact CE2-CE1 3.83Å; F154-F167 HydrophobicContact CE2-CE1 3.83Å; I155-F167 HydrophobicContact CD1-CD1 3.8Å; I155-F167 HydrophobicContact CD1-CE1 4.11Å; I155-F167 HydrophobicContact CG1-CD1 3.89Å; I155-F167 HydrophobicContact CG1-CE1 3.8Å; M159-F167 HydrophobicContact CE-CB 3.84Å; M159-F167 HydrophobicContact CE-CG 4.33Å; E163-F167 WeakPolarHBondContact O-CB 3.28Å; E163-F167 PolarHBondContact O-N 3.44Å; K164-F167 PolarHBondContact O-N 2.94Å; I165-F167 VanDerWaalsContact C-N 3.34Å; I165-F167 PolarHBondContact O-N 2.94Å; F167-S169 PolarHBondContact O-N 2.94Å; F167-S170 PolarHBondContact O-N 3.5Å; F167-S170 VanDerWaalsContact O-N 3.13Å; F167-S170 PolarHBondContact O-OG 3.37Å; F167-I171 HydrophobicContact CD1-CD1 4.1Å; F167-I171 HydrophobicContact CE1-CD1 3.48Å; F167-I171 VanDerWaalsContact CE1-CD1 3.48Å; F167-I171 HydrophobicContact CE2-CD1 4.35Å; F167-I171 HydrophobicContact CZ-CD1 3.64Å; F167-I171 PolarHBondContact O-N 2.9Å
168	L	86.1	Confident	84.5	Confident	0 Å²	0	64 Å²	64	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-62.6	-32.3	175	-74.2	172.7	0	0	0	111.7	L148 Y152 I155 K164 I165 S170 I171 I172 F174 F211	L148-L168 HydrophobicContact CD2-CB 4.48Å; L148-L168 HydrophobicContact CD2-CD1 3.86Å; Y152-L168 HydrophobicContact CD2-CD1 4.39Å; Y152-L168 HydrophobicContact CD2-CD2 4.04Å; Y152-L168 HydrophobicContact CE2-CD1 3.94Å; Y152-L168 HydrophobicContact CE2-CD2 3.88Å; I155-L168 HydrophobicContact CD1-CD1 4.31Å; I155-L168 HydrophobicContact CD1-CD2 3.83Å; I155-L168 HydrophobicContact CD1-CG 3.89Å; K164-L168 HydrophobicContact CG-CD1 4.11Å; K164-L168 WeakPolarHBondContact O-CB 3.37Å; K164-L168 WeakPolarHBondContact O-CG 3.32Å; K164-L168 PolarHBondContact O-N 2.77Å; I165-L168 PolarHBondContact O-N 2.83Å; L168-S170 VanDerWaalsContact C-N 3.3Å; L168-S170 PolarHBondContact O-N 3.43Å; L168-I171 PolarHBondContact O-N 3.21Å; L168-I172 HydrophobicContact CD2-CD1 4.41Å; L168-I172 WeakPolarHBondContact O-CB 3.27Å; L168-I172 PolarHBondContact O-N 3.44Å; L168-F174 HydrophobicContact CB-CE2 4.19Å; L168-F174 HydrophobicContact CB-CZ 4.45Å; L168-F211 HydrophobicContact CD2-CE2 4.33Å
169	S	86.1	Confident	85.5	Confident	58 Å²	58	59.4 Å²	59.4	41%	0.406	34%	0.337	S	S	.	.	H	α-helix	trans	-73.4	-20.5	177.8	-56.1	0	0	0	0	113.5	I165 L166 F167	I165-S169 VanDerWaalsContact O-CB 3.27Å; I165-S169 WeakPolarHBondContact O-CB 3.32Å; I165-S169 PolarHBondContact O-N 3.46Å; I165-S169 PolarHBondContact O-OG 3.41Å; L166-S169 PolarHBondContact O-N 3.23Å; F167-S169 PolarHBondContact O-N 2.94Å
170	S	84.5	Confident	86.3	Confident	94 Å²	94	56.7 Å²	56.7	66%	0.657	32%	0.323	S	S	*	.	H	α-helix	trans	-77.6	-24.6	172.5	80.8	0	0	0	0	112.4	L166 F167 L168	L166-S170 PolarHBondContact O-N 3.14Å; L166-S170 VanDerWaalsContact O-N 3.07Å; F167-S170 PolarHBondContact O-N 3.5Å; F167-S170 VanDerWaalsContact O-N 3.13Å; F167-S170 PolarHBondContact O-OG 3.37Å; L168-S170 VanDerWaalsContact C-N 3.3Å; L168-S170 PolarHBondContact O-N 3.43Å
171	I	85	Confident	86.9	Confident	51 Å²	51	56.1 Å²	56.1	26%	0.262	31%	0.313	S	S	.	.	H	α-helix	trans	-95.2	-51.1	-179.3	-56.9	171	0	0	0	110.8	F75 F154 F167 L168 F211	F75-I171 HydrophobicContact CE1-CG2 4.46Å; F75-I171 VanDerWaalsContact CZ-O 3.27Å; F75-I171 WeakPolarHBondContact CZ-O 3.28Å; F154-I171 HydrophobicContact CE2-CD1 4.46Å; F167-I171 HydrophobicContact CD1-CD1 4.1Å; F167-I171 HydrophobicContact CE1-CD1 3.48Å; F167-I171 VanDerWaalsContact CE1-CD1 3.48Å; F167-I171 HydrophobicContact CE2-CD1 4.35Å; F167-I171 HydrophobicContact CZ-CD1 3.64Å; F167-I171 PolarHBondContact O-N 2.9Å; L168-I171 PolarHBondContact O-N 3.21Å; I171-F211 HydrophobicContact CG2-CB 3.78Å
172	I	87.7	Confident	87.5	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.005	28%	0.284	C	S	.	.	S	Bend	trans	-99.6	124.3	-172.6	-56.6	176.5	0	0	0	109.2	F75 L147 L168 F174 L183 F211	F75-I172 HydrophobicContact CE1-CG1 4.42Å; L147-I172 HydrophobicContact CD2-CD1 3.98Å; L168-I172 HydrophobicContact CD2-CD1 4.41Å; L168-I172 WeakPolarHBondContact O-CB 3.27Å; L168-I172 PolarHBondContact O-N 3.44Å; I172-F174 HydrophobicContact CB-CE2 4.22Å; I172-F174 WeakPolarHBondContact O-CD2 3.31Å; I172-F174 PolarHBondContact O-N 2.83Å; I172-L183 HydrophobicContact CD1-CD1 4.33Å; I172-L183 HydrophobicContact CG2-CD1 3.59Å; I172-F211 HydrophobicContact CD1-CD1 3.95Å; I172-F211 HydrophobicContact CD1-CD2 4.04Å; I172-F211 HydrophobicContact CD1-CE1 4.06Å; I172-F211 HydrophobicContact CD1-CE2 4.14Å; I172-F211 HydrophobicContact CD1-CG 3.96Å; I172-F211 HydrophobicContact CD1-CZ 4.16Å; I172-F211 HydrophobicContact CG1-CB 4.45Å; I172-F211 HydrophobicContact CG1-CG 4.31Å
173	P	84.2	Confident	88	Confident	36 Å²	36	48 Å²	48	23%	0.234	26%	0.255	C	S	.	.			trans	-73.8	93.3	176.6	30.3	-33.6	0	0	0	110	F75 D175 C176	F75-P173 HydrophobicContact CE2-CG 4.05Å; P173-D175 PolarHBondContact O-N 3.4Å; P173-D175 VanDerWaalsContact O-N 3.16Å; P173-C176 HydrophobicContact CB-CB 4.29Å; P173-C176 HydrophobicContact CG-CB 4.17Å; P173-C176 WeakPolarHBondContact O-CB 3.38Å; P173-C176 PolarHBondContact O-N 3.08Å
174	F	86.6	Confident	88.4	Confident	30 Å²	30	43.6 Å²	43.6	13%	0.132	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-11.9	178.5	-78.8	-79.2	0	0	0	114.3	K144 L147 L148 L168 I172 V180	K144-F174 HydrophobicContact CD-CD1 4.49Å; K144-F174 HydrophobicContact CG-CD1 4.13Å; K144-F174 HydrophobicContact CG-CE1 4.32Å; L147-F174 HydrophobicContact CB-CE1 4.44Å; L147-F174 HydrophobicContact CB-CZ 4.47Å; L147-F174 HydrophobicContact CD1-CE1 4.1Å; L148-F174 HydrophobicContact CD2-CZ 4.03Å; L168-F174 HydrophobicContact CB-CE2 4.19Å; L168-F174 HydrophobicContact CB-CZ 4.45Å; I172-F174 HydrophobicContact CB-CE2 4.22Å; I172-F174 WeakPolarHBondContact O-CD2 3.31Å; I172-F174 PolarHBondContact O-N 2.83Å; F174-V180 HydrophobicContact CD1-CG1 4.43Å; F174-V180 HydrophobicContact CD1-CG2 3.98Å
175	D	86.3	Confident	88.9	Confident	153 Å²	153	41.6 Å²	41.6	82%	0.818	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-26.4	172.4	-58.8	-35	0	0	0	112.2	P173 L177	P173-D175 PolarHBondContact O-N 3.4Å; P173-D175 VanDerWaalsContact O-N 3.16Å; D175-L177 PolarHBondContact O-N 2.81Å; D175-L177 VanDerWaalsContact O-N 3.15Å
176	C	89.1	Confident	89.3	Confident	24 Å²	24	38 Å²	38	16%	0.162	21%	0.208	C	C	.	.			trans	-79.8	92.7	175.4	-67	0	0	0	0	110.1	D78 P173 L178 T179 V180	D78-C176 HydrophobicContact CB-CB 4.19Å; D78-C176 WeakPolarHBondContact OD2-CA 3.44Å; P173-C176 HydrophobicContact CB-CB 4.29Å; P173-C176 HydrophobicContact CG-CB 4.17Å; P173-C176 WeakPolarHBondContact O-CB 3.38Å; P173-C176 PolarHBondContact O-N 3.08Å; C176-L178 VanDerWaalsContact C-N 3.34Å; C176-L178 PolarHBondContact O-N 3.38Å; C176-T179 PolarHBondContact O-N 2.77Å; C176-V180 VanDerWaalsContact O-CG2 3.25Å; C176-V180 WeakPolarHBondContact O-CG2 3.42Å; C176-V180 PolarHBondContact O-N 3Å
177	L	92	Very high	89.6	Confident	86 Å²	86	33.6 Å²	33.6	45%	0.45	18%	0.184	S	C	.	.	H	α-helix	trans	-63.5	-36.4	-171.9	-55.2	-175.7	0	0	0	112.8	D78 L140 D175 R181	D78-L177 PolarHBondContact OD2-N 2.96Å; L140-L177 HydrophobicContact CD1-CB 4.37Å; L140-L177 HydrophobicContact CD1-CD2 4.01Å; L140-L177 HydrophobicContact CD2-CD2 3.91Å; D175-L177 PolarHBondContact O-N 2.81Å; D175-L177 VanDerWaalsContact O-N 3.15Å; L177-R181 WeakPolarHBondContact O-CD 3.19Å; L177-R181 WeakPolarHBondContact O-CG 3.23Å; L177-R181 PolarHBondContact O-N 3.12Å
178	L	90.5	Very high	89.9	Confident	12 Å²	12	34.1 Å²	34.1	6%	0.063	19%	0.187	C	C	.	.	H	α-helix	trans	-76.6	-41.6	-178.9	-57.7	176.5	0	0	0	111.4	N57 Y60 D78 C176 V180 R181 A182	N57-L178 HydrophobicContact CB-CD1 4.33Å; N57-L178 HydrophobicContact CB-CD2 3.93Å; Y60-L178 VanDerWaalsContact O-CD1 3.23Å; Y60-L178 WeakPolarHBondContact O-CD1 3.12Å; D78-L178 WeakPolarHBondContact OD1-CA 3.49Å; D78-L178 VanDerWaalsContact OD1-CB 3.29Å; D78-L178 WeakPolarHBondContact OD1-CB 3.34Å; D78-L178 PolarHBondContact OD1-N 3.37Å; D78-L178 PolarHBondContact OD2-N 3.19Å; C176-L178 VanDerWaalsContact C-N 3.34Å; C176-L178 PolarHBondContact O-N 3.38Å; L178-V180 VanDerWaalsContact C-N 3.34Å; L178-V180 PolarHBondContact O-N 2.73Å; L178-R181 PolarHBondContact O-N 2.91Å; L178-A182 WeakPolarHBondContact O-CB 3.32Å; L178-A182 PolarHBondContact O-N 2.77Å
179	T	92.3	Very high	90.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-57.3	-46.2	173.6	-53.1	0	0	0	0	111.1	F75 M76 P77 D78 C176 R181 A182 L183	F75-T179 HydrophobicContact CB-CG2 3.96Å; F75-T179 HydrophobicContact CD2-CG2 3.81Å; F75-T179 HydrophobicContact CG-CG2 4.24Å; M76-T179 VanDerWaalsContact O-CG2 3.3Å; M76-T179 WeakPolarHBondContact O-CG2 3.29Å; M76-T179 PolarHBondContact O-OG1 2.61Å; P77-T179 WeakPolarHBondContact CA-OG1 3.41Å; D78-T179 PolarHBondContact N-OG1 2.94Å; D78-T179 PolarHBondContact OD1-N 3.31Å; D78-T179 PolarHBondContact OD1-OG1 2.82Å; C176-T179 PolarHBondContact O-N 2.77Å; T179-R181 VanDerWaalsContact C-N 3.33Å; T179-R181 PolarHBondContact O-N 3.08Å; T179-A182 PolarHBondContact O-N 2.75Å; T179-L183 HydrophobicContact CG2-CD1 4.05Å; T179-L183 HydrophobicContact CG2-CG 4.45Å; T179-L183 WeakPolarHBondContact O-CB 3.43Å; T179-L183 VanDerWaalsContact O-CG 3.32Å; T179-L183 WeakPolarHBondContact O-CG 3.49Å; T179-L183 PolarHBondContact O-N 2.97Å
180	V	92.7	Very high	90.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60.5	-42.8	177.7	170.8	0	0	0	0	111.3	L140 S143 K144 L147 F174 C176 L178 L183 G184	L140-V180 HydrophobicContact CD1-CB 4.35Å; L140-V180 HydrophobicContact CD1-CG1 4.01Å; S143-V180 WeakPolarHBondContact CB-O 3.27Å; K144-V180 HydrophobicContact CG-CG1 3.65Å; L147-V180 HydrophobicContact CD1-CG1 4.07Å; F174-V180 HydrophobicContact CD1-CG1 4.43Å; F174-V180 HydrophobicContact CD1-CG2 3.98Å; C176-V180 VanDerWaalsContact O-CG2 3.25Å; C176-V180 WeakPolarHBondContact O-CG2 3.42Å; C176-V180 PolarHBondContact O-N 3Å; L178-V180 VanDerWaalsContact C-N 3.34Å; L178-V180 PolarHBondContact O-N 2.73Å; V180-L183 PolarHBondContact O-N 2.89Å; V180-G184 PolarHBondContact O-N 3.04Å
181	R	94.1	Very high	90.4	Very high	63 Å²	63	29.6 Å²	29.6	24%	0.238	16%	0.162	C	C	.	.	H	α-helix	trans	-67.4	-39.7	177	-68.8	170.1	70.2	-165.7	-0.7	112.1	L55 F138 L140 L177 L178 T179 G184 G185	L55-R181 HydrophobicContact CD1-CB 3.34Å; F138-R181 WeakPolarHBondContact O-CG 3.41Å; F138-R181 PolarHBondContact O-NE 3.12Å; F138-R181 PolarHBondContact O-NH2 3.4Å; L140-R181 HydrophobicContact CB-CG 4.35Å; L140-R181 HydrophobicContact CD1-CG 4.12Å; L177-R181 WeakPolarHBondContact O-CD 3.19Å; L177-R181 WeakPolarHBondContact O-CG 3.23Å; L177-R181 PolarHBondContact O-N 3.12Å; L178-R181 PolarHBondContact O-N 2.91Å; T179-R181 VanDerWaalsContact C-N 3.33Å; T179-R181 PolarHBondContact O-N 3.08Å; R181-G184 PolarHBondContact O-N 3.29Å; R181-G185 PolarHBondContact O-N 2.94Å
182	A	93.4	Very high	90.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-64.6	-44.1	176.4	0	0	0	0	0	110.7	C53 L55 A64 L178 T179 G185 L186	C53-A182 PolarHBondContact SG-O 3.15Å; L55-A182 HydrophobicContact CD1-CB 4.38Å; L55-A182 HydrophobicContact CG-CB 4.46Å; A64-A182 HydrophobicContact CB-CB 4.43Å; L178-A182 WeakPolarHBondContact O-CB 3.32Å; L178-A182 PolarHBondContact O-N 2.77Å; T179-A182 PolarHBondContact O-N 2.75Å; A182-G185 PolarHBondContact O-N 3.44Å; A182-L186 WeakPolarHBondContact O-CB 3.38Å; A182-L186 PolarHBondContact O-N 3.49Å
183	L	94.4	Very high	90.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-58.7	-49	173.2	-79.1	169.3	0	0	0	112.1	A64 I73 F75 L147 I172 T179 V180 G185 L186 L187 F211	A64-L183 HydrophobicContact CB-CD2 3.65Å; A64-L183 HydrophobicContact CB-CG 3.9Å; I73-L183 HydrophobicContact CG2-CD2 3.48Å; I73-L183 VanDerWaalsContact CG2-CD2 3.48Å; F75-L183 HydrophobicContact CB-CD1 4.4Å; F75-L183 HydrophobicContact CB-CD2 4.09Å; F75-L183 HydrophobicContact CB-CG 4.35Å; F75-L183 HydrophobicContact CG-CD1 4.4Å; L147-L183 HydrophobicContact CD1-CB 3.99Å; L147-L183 HydrophobicContact CD1-CD1 4.3Å; L147-L183 HydrophobicContact CD2-CB 4.01Å; L147-L183 HydrophobicContact CD2-CD1 4.45Å; L147-L183 HydrophobicContact CG-CB 4.41Å; I172-L183 HydrophobicContact CD1-CD1 4.33Å; I172-L183 HydrophobicContact CG2-CD1 3.59Å; T179-L183 HydrophobicContact CG2-CD1 4.05Å; T179-L183 HydrophobicContact CG2-CG 4.45Å; T179-L183 WeakPolarHBondContact O-CB 3.43Å; T179-L183 VanDerWaalsContact O-CG 3.32Å; T179-L183 WeakPolarHBondContact O-CG 3.49Å; T179-L183 PolarHBondContact O-N 2.97Å; V180-L183 PolarHBondContact O-N 2.89Å; L183-G185 VanDerWaalsContact C-N 3.32Å; L183-G185 PolarHBondContact O-N 3.38Å; L183-L186 PolarHBondContact O-N 2.81Å; L183-L187 WeakPolarHBondContact O-CG 3.27Å; L183-L187 PolarHBondContact O-N 3.06Å; L183-F211 HydrophobicContact CD2-CD1 4.15Å; L183-F211 HydrophobicContact CD2-CE1 3.96Å
184	G	92.6	Very high	90.4	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65.1	-33.6	178.2	0	0	0	0	0	113.9	R146 V180 R181 K188	R146-G184 PolarHBondContact NH1-O 2.81Å; V180-G184 PolarHBondContact O-N 3.04Å; R181-G184 PolarHBondContact O-N 3.29Å; G184-K188 PolarHBondContact O-N 3.45Å
185	G	92.7	Very high	90.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-68.8	-41.7	171.8	0	0	0	0	0	112.6	R181 A182 L183 K188 F189	R181-G185 PolarHBondContact O-N 2.94Å; A182-G185 PolarHBondContact O-N 3.44Å; L183-G185 VanDerWaalsContact C-N 3.32Å; L183-G185 PolarHBondContact O-N 3.38Å; G185-K188 PolarHBondContact O-N 2.81Å; G185-F189 PolarHBondContact O-N 3.28Å
186	L	94.3	Very high	89.5	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62	-47.9	176	-178.3	62.1	0	0	0	110.9	H51 C53 A64 I73 A182 L183 K188 F189 L190	H51-L186 HydrophobicContact CB-CD1 4.45Å; H51-L186 WeakPolarHBondContact O-CD1 3.36Å; C53-L186 HydrophobicContact CB-CB 3.71Å; C53-L186 HydrophobicContact CB-CD1 4.08Å; C53-L186 HydrophobicContact CB-CG 4.37Å; A64-L186 HydrophobicContact CB-CD2 3.95Å; I73-L186 HydrophobicContact CG1-CD2 4.45Å; I73-L186 HydrophobicContact CG2-CD2 3.9Å; A182-L186 WeakPolarHBondContact O-CB 3.38Å; A182-L186 PolarHBondContact O-N 3.49Å; L183-L186 PolarHBondContact O-N 2.81Å; L186-K188 VanDerWaalsContact C-N 3.27Å; L186-K188 PolarHBondContact O-N 3.42Å; L186-F189 WeakPolarHBondContact O-CB 3.38Å; L186-F189 PolarHBondContact O-N 3.4Å; L186-F189 VanDerWaalsContact O-N 3.08Å; L186-L190 HydrophobicContact CD1-CG 4.32Å; L186-L190 HydrophobicContact CG-CD1 4.23Å; L186-L190 HydrophobicContact CG-CG 4.36Å; L186-L190 WeakPolarHBondContact O-CG 3.46Å; L186-L190 PolarHBondContact O-N 3.35Å
187	L	92.1	Very high	89	Confident	24 Å²	24	34.3 Å²	34.3	13%	0.126	17%	0.168	C	C	.	.	H	α-helix	trans	-58.9	-39	177.2	-70.1	176.9	0	0	0	112.4	I73 L147 L183 G191 I208	I73-L187 HydrophobicContact CD1-CD2 3.61Å; L147-L187 HydrophobicContact CD2-CD1 3.6Å; L147-L187 HydrophobicContact CG-CD1 4.07Å; L183-L187 WeakPolarHBondContact O-CG 3.27Å; L183-L187 PolarHBondContact O-N 3.06Å; L187-G191 PolarHBondContact O-N 3.05Å; L187-I208 HydrophobicContact CD2-CD1 3.35Å
188	K	91.1	Very high	88.2	Confident	84 Å²	84	36.3 Å²	36.3	37%	0.365	18%	0.175	S	C	.	.	H	α-helix	trans	-66	-40.6	175.4	179.1	61.5	173.6	-179.8	0	112	D137 R146 G184 G185 L186 R192	D137-K188 HydrophobicContact CB-CG 4.26Å; R146-K188 VanDerWaalsContact NH1-CB 3.35Å; G184-K188 PolarHBondContact O-N 3.45Å; G185-K188 PolarHBondContact O-N 2.81Å; L186-K188 VanDerWaalsContact C-N 3.27Å; L186-K188 PolarHBondContact O-N 3.42Å; K188-R192 VanDerWaalsContact O-CB 3.31Å; K188-R192 WeakPolarHBondContact O-CB 3.49Å; K188-R192 PolarHBondContact O-N 3.47Å
189	F	91.4	Very high	87.4	Confident	5 Å²	5	44.2 Å²	44.2	2%	0.022	22%	0.217	C	C	.	.	H	α-helix	trans	-61.8	-51.9	174.9	175.4	-108.4	0	0	0	111.6	H51 V101 I131 L133 G185 L186 G191 R192 R193 I195	H51-F189 HydrophobicContact CB-CD1 4.35Å; H51-F189 HydrophobicContact CB-CE1 3.87Å; H51-F189 AromaticContact CG-CE1 3.85Å; H51-F189 AromaticContact ND1-CE1 3.77Å; V101-F189 HydrophobicContact CG1-CB 4.16Å; V101-F189 HydrophobicContact CG1-CD2 4.46Å; V101-F189 HydrophobicContact CG1-CG 4.33Å; V101-F189 HydrophobicContact CG2-CB 4.19Å; V101-F189 HydrophobicContact CG2-CD1 3.68Å; V101-F189 HydrophobicContact CG2-CD2 3.67Å; V101-F189 HydrophobicContact CG2-CE1 3.88Å; V101-F189 HydrophobicContact CG2-CE2 3.91Å; V101-F189 HydrophobicContact CG2-CG 3.54Å; V101-F189 HydrophobicContact CG2-CZ 3.99Å; I131-F189 HydrophobicContact CD1-CD2 4.39Å; I131-F189 HydrophobicContact CD1-CE2 3.31Å; I131-F189 HydrophobicContact CD1-CZ 3.54Å; I131-F189 HydrophobicContact CG1-CE2 4.48Å; I131-F189 HydrophobicContact CG2-CD2 4.3Å; I131-F189 HydrophobicContact CG2-CE2 4.09Å; L133-F189 HydrophobicContact CD1-CB 3.99Å; G185-F189 PolarHBondContact O-N 3.28Å; L186-F189 WeakPolarHBondContact O-CB 3.38Å; L186-F189 PolarHBondContact O-N 3.4Å; L186-F189 VanDerWaalsContact O-N 3.08Å; F189-G191 VanDerWaalsContact C-N 3.33Å; F189-G191 PolarHBondContact O-N 3.42Å; F189-R192 PolarHBondContact O-N 2.9Å; F189-R192 VanDerWaalsContact O-N 3.07Å; F189-R193 HydrophobicContact CD2-CG 4.14Å; F189-R193 HydrophobicContact CE1-CG 4.46Å; F189-R193 HydrophobicContact CE2-CG 3.47Å; F189-R193 VanDerWaalsContact CE2-CG 3.47Å; F189-R193 HydrophobicContact CZ-CG 3.69Å; F189-R193 PolarHBondContact O-N 2.88Å; F189-I195 HydrophobicContact CD1-CD1 4.09Å; F189-I195 HydrophobicContact CE1-CD1 3.48Å; F189-I195 VanDerWaalsContact CE1-CD1 3.48Å; F189-I195 HydrophobicContact CZ-CD1 4.14Å
190	L	89.8	Confident	86.7	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-55.9	-47.6	177.9	-66.6	179	0	0	0	111	Y66 I73 L186 R192 R194 I195 V206	Y66-L190 HydrophobicContact CD1-CD1 4.14Å; Y66-L190 HydrophobicContact CD1-CD2 3.5Å; Y66-L190 HydrophobicContact CD1-CG 4.48Å; Y66-L190 HydrophobicContact CD2-CD1 3.98Å; Y66-L190 HydrophobicContact CE1-CD2 4.16Å; Y66-L190 HydrophobicContact CG-CD1 3.75Å; Y66-L190 HydrophobicContact CG-CD2 3.86Å; Y66-L190 HydrophobicContact CG-CG 4.46Å; I73-L190 HydrophobicContact CD1-CD1 4.32Å; L186-L190 HydrophobicContact CD1-CG 4.32Å; L186-L190 HydrophobicContact CG-CD1 4.23Å; L186-L190 HydrophobicContact CG-CG 4.36Å; L186-L190 WeakPolarHBondContact O-CG 3.46Å; L186-L190 PolarHBondContact O-N 3.35Å; L190-R192 VanDerWaalsContact C-N 3.32Å; L190-R192 PolarHBondContact O-N 3.49Å; L190-R194 VanDerWaalsContact O-CA 3.29Å; L190-R194 WeakPolarHBondContact O-CA 3.37Å; L190-R194 PolarHBondContact O-N 2.99Å; L190-I195 HydrophobicContact CD2-CB 4.4Å; L190-I195 HydrophobicContact CD2-CD1 3.62Å; L190-V206 HydrophobicContact CB-CB 4.46Å; L190-V206 HydrophobicContact CB-CG1 4.39Å; L190-V206 HydrophobicContact CB-CG2 4.24Å; L190-V206 WeakPolarHBondContact O-CG2 3.43Å
191	G	87.1	Confident	85.8	Confident	50 Å²	50	52.7 Å²	52.7	52%	0.515	26%	0.26	S	S	.	.	H	α-helix	trans	-65.3	-31	177.7	0	0	0	0	0	114	L187 F189 R194	L187-G191 PolarHBondContact O-N 3.05Å; F189-G191 VanDerWaalsContact C-N 3.33Å; F189-G191 PolarHBondContact O-N 3.42Å; G191-R194 WeakPolarHBondContact O-CG 3.42Å
192	R	87.1	Confident	84.8	Confident	172 Å²	172	58.8 Å²	58.8	65%	0.649	29%	0.285	S	S	*	.	H	α-helix	trans	-78.1	-41.2	179.3	-176.5	177	178.4	177.1	-1.2	112.7	K188 F189 L190	K188-R192 VanDerWaalsContact O-CB 3.31Å; K188-R192 WeakPolarHBondContact O-CB 3.49Å; K188-R192 PolarHBondContact O-N 3.47Å; F189-R192 PolarHBondContact O-N 2.9Å; F189-R192 VanDerWaalsContact O-N 3.07Å; L190-R192 VanDerWaalsContact C-N 3.32Å; L190-R192 PolarHBondContact O-N 3.49Å
193	R	85.2	Confident	83.9	Confident	124 Å²	124	64.6 Å²	64.6	47%	0.468	32%	0.316	S	S	.	.	H	α-helix	trans	-82	-20.2	176.8	-76.4	-72.4	-163	-171.8	4.9	112.6	E129 F189 I195	E129-R193 IonicContact OE1-NH2 2.67Å; E129-R193 PolarHBondContact OE1-NH2 2.69Å; E129-R193 IonicContact OE2-NH2 3.42Å; F189-R193 HydrophobicContact CD2-CG 4.14Å; F189-R193 HydrophobicContact CE1-CG 4.46Å; F189-R193 HydrophobicContact CE2-CG 3.47Å; F189-R193 VanDerWaalsContact CE2-CG 3.47Å; F189-R193 HydrophobicContact CZ-CG 3.69Å; F189-R193 PolarHBondContact O-N 2.88Å; R193-I195 VanDerWaalsContact C-N 3.27Å; R193-I195 HydrophobicContact CB-CD1 3.99Å; R193-I195 HydrophobicContact CB-CG1 3.73Å; R193-I195 PolarHBondContact O-N 3.46Å
194	R	84.6	Confident	83	Confident	53 Å²	53	66.6 Å²	66.6	20%	0.2	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	40.3	-176.9	-59.6	-165.6	69	-152.9	-3.2	112.9	L190 G191 G196 V197 E198 E200 D201 V204	L190-R194 VanDerWaalsContact O-CA 3.29Å; L190-R194 WeakPolarHBondContact O-CA 3.37Å; L190-R194 PolarHBondContact O-N 2.99Å; G191-R194 WeakPolarHBondContact O-CG 3.42Å; R194-G196 PolarHBondContact O-N 3.4Å; R194-V197 HydrophobicContact CB-CG2 4.09Å; R194-V197 PolarHBondContact NH2-O 3.49Å; R194-V197 CarbonylContact O-C 3.59Å; R194-V197 VanDerWaalsContact O-C 3.23Å; R194-V197 WeakPolarHBondContact O-CA 3.46Å; R194-V197 WeakPolarHBondContact O-CG2 3.3Å; R194-V197 PolarHBondContact O-N 2.97Å; R194-E198 VanDerWaalsContact O-CG 3.25Å; R194-E198 WeakPolarHBondContact O-CG 3.5Å; R194-E198 PolarHBondContact O-N 3.29Å; R194-E198 VanDerWaalsContact O-N 3.08Å; R194-E200 PolarHBondContact NH1-O 3.03Å; R194-E200 PolarHBondContact NH2-O 3.48Å; R194-D201 PolarHBondContact NH2-O 2.86Å; R194-V204 PolarHBondContact NH2-O 3.36Å
195	I	79.7	Confident	82.4	Confident	6 Å²	6	69.4 Å²	69.4	3%	0.031	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	124.4	-174.7	-66.9	158.6	0	0	0	110.5	H51 Y66 T68 F189 L190 R193 V197	H51-I195 VanDerWaalsContact CD2-CD1 3.48Å; H51-I195 WeakPolarHBondContact CD2-CD1 3.35Å; H51-I195 WeakPolarHBondContact NE2-CD1 3.49Å; Y66-I195 HydrophobicContact CE1-CG2 4.4Å; T68-I195 HydrophobicContact CG2-CG2 3.62Å; F189-I195 HydrophobicContact CD1-CD1 4.09Å; F189-I195 HydrophobicContact CE1-CD1 3.48Å; F189-I195 VanDerWaalsContact CE1-CD1 3.48Å; F189-I195 HydrophobicContact CZ-CD1 4.14Å; L190-I195 HydrophobicContact CD2-CB 4.4Å; L190-I195 HydrophobicContact CD2-CD1 3.62Å; R193-I195 VanDerWaalsContact C-N 3.27Å; R193-I195 HydrophobicContact CB-CD1 3.99Å; R193-I195 HydrophobicContact CB-CG1 3.73Å; R193-I195 PolarHBondContact O-N 3.46Å; I195-V197 VanDerWaalsContact C-N 3.26Å; I195-V197 PolarHBondContact O-N 3.46Å
196	G	73.5	Confident	82.1	Confident	37 Å²	37	70 Å²	70	38%	0.381	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	-2	-178.3	0	0	0	0	0	115.8	R194	R194-G196 PolarHBondContact O-N 3.4Å
197	V	77.5	Confident	81.4	Confident	2 Å²	2	70 Å²	70	1%	0.012	35%	0.351	C	S	.	.			trans	-137.4	31.4	176.6	-64.5	0	0	0	0	110.7	R194 I195 L199 E200 V204 V206 L325	R194-V197 HydrophobicContact CB-CG2 4.09Å; R194-V197 PolarHBondContact NH2-O 3.49Å; R194-V197 CarbonylContact O-C 3.59Å; R194-V197 VanDerWaalsContact O-C 3.23Å; R194-V197 WeakPolarHBondContact O-CA 3.46Å; R194-V197 WeakPolarHBondContact O-CG2 3.3Å; R194-V197 PolarHBondContact O-N 2.97Å; I195-V197 VanDerWaalsContact C-N 3.26Å; I195-V197 PolarHBondContact O-N 3.46Å; V197-L199 VanDerWaalsContact C-N 3.29Å; V197-L199 PolarHBondContact O-N 2.9Å; V197-E200 HydrophobicContact CB-CB 4.02Å; V197-E200 HydrophobicContact CB-CG 3.79Å; V197-E200 HydrophobicContact CG1-CG 4.1Å; V197-E200 PolarHBondContact O-N 3.47Å; V197-V204 HydrophobicContact CB-CG1 4.23Å; V197-V204 HydrophobicContact CG1-CG1 3.95Å; V197-V206 HydrophobicContact CG2-CG2 3.92Å; V197-L325 HydrophobicContact CG1-CD1 4.12Å; V197-L325 HydrophobicContact CG1-CD2 3.88Å
198	E	75.5	Confident	81.1	Confident	129 Å²	129	69.4 Å²	69.4	60%	0.603	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-34	-172.4	-59.9	178.3	164.3	0	0	112.1	R194	R194-E198 VanDerWaalsContact O-CG 3.25Å; R194-E198 WeakPolarHBondContact O-CG 3.5Å; R194-E198 PolarHBondContact O-N 3.29Å; R194-E198 VanDerWaalsContact O-N 3.08Å
199	L	75.1	Confident	80.7	Confident	178 Å²	178	66.3 Å²	66.3	93%	0.932	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-4.9	179.4	-58.9	177.8	0	0	0	113.5	V197	V197-L199 VanDerWaalsContact C-N 3.29Å; V197-L199 PolarHBondContact O-N 2.9Å
200	E	76	Confident	80.4	Confident	55 Å²	55	66.7 Å²	66.7	26%	0.257	34%	0.341	S	S	.	.	S	Bend	trans	-80.6	163.7	-178.2	-63.8	-65.6	159.7	0	0	112	R194 V197 V204 H327	R194-E200 PolarHBondContact NH1-O 3.03Å; R194-E200 PolarHBondContact NH2-O 3.48Å; V197-E200 HydrophobicContact CB-CB 4.02Å; V197-E200 HydrophobicContact CB-CG 3.79Å; V197-E200 HydrophobicContact CG1-CG 4.1Å; V197-E200 PolarHBondContact O-N 3.47Å; E200-V204 HydrophobicContact CB-CB 3.8Å; E200-V204 HydrophobicContact CB-CG1 4Å; E200-V204 HydrophobicContact CB-CG2 4.04Å; E200-V204 HydrophobicContact CG-CG1 4.18Å; E200-H327 IonicContact OE1-CD2 3.96Å; E200-H327 PolarHBondContact OE1-CD2 2.52Å; E200-H327 VanDerWaalsContact OE1-CD2 3.31Å; E200-H327 IonicContact OE1-CE1 3.83Å; E200-H327 IonicContact OE1-NE2 2.72Å; E200-H327 PolarHBondContact OE1-NE2 3.05Å; E200-H327 IonicContact OE2-NE2 2.84Å; E200-H327 PolarHBondContact OE2-NE2 3.28Å
201	D	74.2	Confident	80.3	Confident	122 Å²	122	67.4 Å²	67.4	65%	0.652	34%	0.343	S	S	*	.			trans	-59.9	149.2	174.7	-80.4	-31.2	0	0	0	112.6	R194 N203 V204	R194-D201 PolarHBondContact NH2-O 2.86Å; D201-N203 PolarHBondContact O-N 3Å; D201-V204 HydrophobicContact CB-CG2 4.43Å; D201-V204 WeakPolarHBondContact O-CB 3.32Å; D201-V204 PolarHBondContact O-N 3.09Å
202	Y	73.2	Confident	80.4	Confident	192 Å²	192	68.5 Å²	68.5	75%	0.753	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-20.3	-175	70.7	-85	0	0	0	115.3	V204	Y202-V204 VanDerWaalsContact C-N 3.35Å
203	N	73.9	Confident	80.3	Confident	122 Å²	122	66 Å²	66	65%	0.652	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-15.4	177.1	-70	-35	0	0	0	113.6	D201 S205	D201-N203 PolarHBondContact O-N 3Å; N203-S205 PolarHBondContact O-N 3.24Å
204	V	76.5	Confident	80.3	Confident	41 Å²	41	60.7 Å²	60.7	25%	0.248	31%	0.308	C	S	.	.			trans	-82.1	115.4	-179.2	-177.5	0	0	0	0	109.8	R194 V197 E200 D201 Y202 L325	R194-V204 PolarHBondContact NH2-O 3.36Å; V197-V204 HydrophobicContact CB-CG1 4.23Å; V197-V204 HydrophobicContact CG1-CG1 3.95Å; E200-V204 HydrophobicContact CB-CB 3.8Å; E200-V204 HydrophobicContact CB-CG1 4Å; E200-V204 HydrophobicContact CB-CG2 4.04Å; E200-V204 HydrophobicContact CG-CG1 4.18Å; D201-V204 HydrophobicContact CB-CG2 4.43Å; D201-V204 WeakPolarHBondContact O-CB 3.32Å; D201-V204 PolarHBondContact O-N 3.09Å; Y202-V204 VanDerWaalsContact C-N 3.35Å; V204-L325 HydrophobicContact CG1-CD2 3.4Å; V204-L325 VanDerWaalsContact CG1-CD2 3.4Å
205	S	80.6	Confident	79.8	Confident	60 Å²	60	62.9 Å²	62.9	42%	0.42	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-84.7	154.3	177.3	64.9	0	0	0	0	112.3	N203	N203-S205 PolarHBondContact O-N 3.24Å
206	V	84.6	Confident	79.5	Confident	13 Å²	13	63.2 Å²	63.2	8%	0.079	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-59.4	127.3	175.5	177.8	0	0	0	0	109.5	Y66 L190 V197 I208	Y66-V206 HydrophobicContact CE1-CG1 4.2Å; L190-V206 HydrophobicContact CB-CB 4.46Å; L190-V206 HydrophobicContact CB-CG1 4.39Å; L190-V206 HydrophobicContact CB-CG2 4.24Å; L190-V206 WeakPolarHBondContact O-CG2 3.43Å; V197-V206 HydrophobicContact CG2-CG2 3.92Å; V206-I208 PolarHBondContact O-N 3.19Å
207	P	81.5	Confident	79.5	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-69.2	125.8	-177.9	26.5	-32.7	0	0	0	110.6	Y66 K321 K324	Y66-P207 PolarHBondContact OH-O 3.48Å; P207-K321 HydrophobicContact CB-CG 4.26Å; P207-K321 HydrophobicContact CG-CD 4.18Å; P207-K321 HydrophobicContact CG-CG 3.8Å; P207-K324 HydrophobicContact CB-CD 4.23Å
208	I	85.9	Confident	79.6	Confident	11 Å²	11	69.6 Å²	69.6	6%	0.056	35%	0.349	C	S	.	.			trans	-121.5	111	173.4	-60.6	163.3	0	0	0	107.7	Y66 S71 I73 Y152 S153 F154 L187 V206 F211	Y66-I208 HydrophobicContact CE2-CG1 4.44Å; S71-I208 WeakPolarHBondContact O-CA 3.32Å; I73-I208 HydrophobicContact CD1-CD1 3.72Å; I73-I208 HydrophobicContact CD1-CG1 4.08Å; I73-I208 HydrophobicContact CD1-CG2 3.99Å; I73-I208 HydrophobicContact CG1-CG2 4.16Å; Y152-I208 HydrophobicContact CD1-CB 4.09Å; Y152-I208 HydrophobicContact CD1-CD1 4.34Å; Y152-I208 HydrophobicContact CD1-CG2 4.07Å; Y152-I208 HydrophobicContact CE1-CB 4.43Å; Y152-I208 HydrophobicContact CE1-CD1 3.9Å; Y152-I208 HydrophobicContact CE1-CG2 4.3Å; S153-I208 PolarHBondContact OG-O 2.88Å; F154-I208 HydrophobicContact CE1-CG2 4.42Å; L187-I208 HydrophobicContact CD2-CD1 3.35Å; V206-I208 PolarHBondContact O-N 3.19Å; I208-F211 HydrophobicContact CG2-CE2 4.47Å; I208-F211 HydrophobicContact CG2-CZ 4.44Å
209	L	81.9	Confident	80.1	Confident	19 Å²	19	64.6 Å²	64.6	10%	0.099	33%	0.326	C	S	.	.			trans	-89.7	-14.1	-176	-63.1	-174.6	0	0	0	113.3	S71 T72 F154 P317 L320	S71-L209 PolarHBondContact O-N 2.91Å; T72-L209 HydrophobicContact CG2-CB 4.33Å; F154-L209 WeakPolarHBondContact CD1-O 3.47Å; L209-P317 HydrophobicContact CD1-CB 4.1Å; L209-L320 HydrophobicContact CD1-CB 4.18Å; L209-L320 HydrophobicContact CD2-CB 4.41Å
210	G	84.9	Confident	80.7	Confident	13 Å²	13	56.4 Å²	56.4	13%	0.134	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.6	162.9	177.4	0	0	0	0	0	114	T72 I73 F154	T72-G210 WeakPolarHBondContact CA-O 3.41Å; T72-G210 WeakPolarHBondContact CB-O 3.19Å; I73-G210 PolarHBondContact N-O 2.7Å; F154-G210 VanDerWaalsContact CE1-CA 3.42Å
211	F	88.5	Confident	81.1	Confident	16 Å²	16	56.9 Å²	56.9	7%	0.07	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	129.5	165.9	-69.3	-84.3	0	0	0	109.6	I73 F75 L147 Y152 F154 L168 I171 I172 L183 I208	I73-F211 HydrophobicContact CB-CD1 3.66Å; I73-F211 HydrophobicContact CB-CE1 3.77Å; I73-F211 HydrophobicContact CD1-CD1 4.43Å; I73-F211 HydrophobicContact CD1-CE1 3.65Å; I73-F211 HydrophobicContact CD1-CZ 4.12Å; I73-F211 HydrophobicContact CG1-CE1 4.26Å; I73-F211 HydrophobicContact CG2-CD1 3.78Å; I73-F211 HydrophobicContact CG2-CE1 3.85Å; I73-F211 CarbonylContact O-C 3.48Å; I73-F211 VanDerWaalsContact O-CA 3.26Å; I73-F211 WeakPolarHBondContact O-CA 3.28Å; F75-F211 HydrophobicContact CD1-CB 4.33Å; F75-F211 HydrophobicContact CD1-CD1 4.49Å; F75-F211 HydrophobicContact CE1-CB 3.91Å; L147-F211 HydrophobicContact CD2-CE1 4.21Å; L147-F211 HydrophobicContact CD2-CZ 4.08Å; Y152-F211 AromaticContact CD1-CE2 3.94Å; Y152-F211 HydrophobicContact CD1-CE2 3.94Å; Y152-F211 HydrophobicContact CD1-CZ 4.36Å; Y152-F211 HydrophobicContact CD2-CE2 4.31Å; Y152-F211 AromaticContact CE1-CE2 3.57Å; Y152-F211 HydrophobicContact CE1-CE2 3.57Å; Y152-F211 AromaticContact CE1-CZ 3.58Å; Y152-F211 HydrophobicContact CE1-CZ 3.58Å; Y152-F211 AromaticContact CE2-CE2 3.93Å; Y152-F211 HydrophobicContact CE2-CE2 3.93Å; Y152-F211 HydrophobicContact CE2-CZ 4.36Å; Y152-F211 HydrophobicContact CG-CE2 4.32Å; Y152-F211 AromaticContact CZ-CE2 3.56Å; Y152-F211 AromaticContact CZ-CZ 3.59Å; F154-F211 HydrophobicContact CE1-CD2 4.44Å; F154-F211 HydrophobicContact CE2-CD2 4.43Å; F154-F211 AromaticContact CZ-CD2 3.62Å; F154-F211 HydrophobicContact CZ-CD2 3.62Å; F154-F211 AromaticContact CZ-CE2 3.88Å; F154-F211 HydrophobicContact CZ-CE2 3.88Å; L168-F211 HydrophobicContact CD2-CE2 4.33Å; I171-F211 HydrophobicContact CG2-CB 3.78Å; I172-F211 HydrophobicContact CD1-CD1 3.95Å; I172-F211 HydrophobicContact CD1-CD2 4.04Å; I172-F211 HydrophobicContact CD1-CE1 4.06Å; I172-F211 HydrophobicContact CD1-CE2 4.14Å; I172-F211 HydrophobicContact CD1-CG 3.96Å; I172-F211 HydrophobicContact CD1-CZ 4.16Å; I172-F211 HydrophobicContact CG1-CB 4.45Å; I172-F211 HydrophobicContact CG1-CG 4.31Å; L183-F211 HydrophobicContact CD2-CD1 4.15Å; L183-F211 HydrophobicContact CD2-CE1 3.96Å; I208-F211 HydrophobicContact CG2-CE2 4.47Å; I208-F211 HydrophobicContact CG2-CZ 4.44Å
212	K	87.8	Confident	81.6	Confident	74 Å²	74	51.9 Å²	51.9	32%	0.322	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	124.4	-179.5	-70.4	175.8	-177.9	166.5	0	110	D70 I73 H74 F75	D70-K212 IonicContact OD2-NZ 3.71Å; D70-K212 PolarHBondContact OD2-NZ 3.46Å; I73-K212 PolarHBondContact O-N 2.88Å; H74-K212 CarbonylContact C-O 3.58Å; H74-K212 WeakPolarHBondContact CA-O 3.41Å; F75-K212 WeakPolarHBondContact CD1-O 3.3Å; F75-K212 PolarHBondContact N-O 2.95Å
213	K	86.4	Confident	81.9	Confident	119 Å²	119	44.2 Å²	44.2	52%	0.517	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	133.5	169.3	177.8	176.1	165.2	177.9	0	109.1	F75 P77 M215	F75-K213 HydrophobicContact CE1-CB 4.38Å; F75-K213 HydrophobicContact CE2-CB 3.9Å; F75-K213 HydrophobicContact CE2-CG 4.2Å; F75-K213 HydrophobicContact CZ-CB 3.74Å; F75-K213 WeakPolarHBondContact O-CA 3.44Å; P77-K213 HydrophobicContact CG-CD 4.08Å; P77-K213 HydrophobicContact CG-CG 4.36Å; K213-M215 WeakPolarHBondContact CE-SD 3.4Å
214	F	83.6	Confident	82.1	Confident	13 Å²	13	43.9 Å²	43.9	6%	0.057	23%	0.227	C	C	.	.			trans	-123.3	152.8	165.4	78.3	-80.1	0	0	0	110.4	I63 Y65 H74 F75 M76 I95 L216	I63-F214 HydrophobicContact CG2-CE1 4.45Å; I63-F214 HydrophobicContact CG2-CZ 4.04Å; Y65-F214 AromaticContact CD1-CE1 3.76Å; Y65-F214 HydrophobicContact CD1-CE1 3.76Å; Y65-F214 HydrophobicContact CD1-CZ 4.09Å; Y65-F214 AromaticContact CE1-CD1 3.82Å; Y65-F214 HydrophobicContact CE1-CD1 3.82Å; Y65-F214 AromaticContact CE1-CE1 3.43Å; Y65-F214 HydrophobicContact CE1-CE1 3.43Å; Y65-F214 VanDerWaalsContact CE1-CE1 3.43Å; Y65-F214 HydrophobicContact CE1-CE2 4.42Å; Y65-F214 HydrophobicContact CE1-CG 4.45Å; Y65-F214 AromaticContact CE1-CZ 3.77Å; Y65-F214 HydrophobicContact CE1-CZ 3.77Å; H74-F214 HydrophobicContact CB-CD1 3.91Å; H74-F214 HydrophobicContact CB-CE1 4.25Å; F75-F214 VanDerWaalsContact C-CD1 3.49Å; F75-F214 WeakPolarHBondContact O-CD1 3.46Å; F75-F214 PolarHBondContact O-N 2.97Å; M76-F214 HydrophobicContact CB-CD1 4.48Å; M76-F214 HydrophobicContact CB-CE1 3.95Å; M76-F214 HydrophobicContact CB-CE2 4.31Å; M76-F214 HydrophobicContact CB-CZ 3.86Å; M76-F214 HydrophobicContact SD-CE2 4.45Å; I95-F214 HydrophobicContact CD1-CZ 4.25Å; F214-L216 HydrophobicContact CD2-CD2 4.34Å; F214-L216 HydrophobicContact CE2-CD2 4.32Å; F214-L216 HydrophobicContact CE2-CG 4.48Å
215	M	75.1	Confident	82.3	Confident	99 Å²	99	43.7 Å²	43.7	49%	0.488	23%	0.225	S	C	.	.			trans	-136.4	146	176.6	-63.6	-169.6	-61.3	0	0	108.9	K213 T217	K213-M215 WeakPolarHBondContact CE-SD 3.4Å; M215-T217 VanDerWaalsContact C-N 3.33Å
216	L	74	Confident	82.6	Confident	13 Å²	13	40.9 Å²	40.9	7%	0.068	21%	0.205	C	C	.	.			trans	-95.9	12.4	175.4	-59.5	-176.2	0	0	0	112.9	M76 L87 R90 V91 E94 F214 L219	M76-L216 HydrophobicContact SD-CG 4.42Å; L87-L216 HydrophobicContact CD1-CB 4.44Å; L87-L216 HydrophobicContact CD1-CD1 3.76Å; R90-L216 HydrophobicContact CG-CD1 4.41Å; V91-L216 HydrophobicContact CG2-CD1 3.36Å; E94-L216 WeakPolarHBondContact OE1-CD2 3.4Å; E94-L216 VanDerWaalsContact OE2-CD2 3.24Å; E94-L216 WeakPolarHBondContact OE2-CD2 3.43Å; F214-L216 HydrophobicContact CD2-CD2 4.34Å; F214-L216 HydrophobicContact CE2-CD2 4.32Å; F214-L216 HydrophobicContact CE2-CG 4.48Å; L216-L219 HydrophobicContact CB-CD1 4.29Å; L216-L219 HydrophobicContact CD2-CD1 3.55Å
217	T	73.4	Confident	82.8	Confident	78 Å²	78	41 Å²	41	48%	0.479	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	141.9	173.6	49.8	0	0	0	0	109.9	M215 L219	M215-T217 VanDerWaalsContact C-N 3.33Å; T217-L219 PolarHBondContact O-N 3.24Å
218	H	79.4	Confident	82.9	Confident	95 Å²	95	43.8 Å²	43.8	44%	0.44	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	4.3	179.5	-50.4	-63.4	0	0	0	117.1	T278 H279 D280	H218-T278 CarbonylContact O-C 3.5Å; H218-T278 WeakPolarHBondContact O-CA 3.29Å; H218-T278 PolarHBondContact O-OG1 3.07Å; H218-H279 VanDerWaalsContact C-CE1 3.48Å; H218-H279 WeakPolarHBondContact CA-CE1 3.39Å; H218-H279 WeakPolarHBondContact CA-NE2 3.42Å; H218-H279 AromaticContact ND1-CD2 3.93Å; H218-H279 AromaticContact ND1-NE2 3.39Å; H218-H279 PolarHBondContact ND1-NE2 3.42Å; H218-H279 PolarHBondContact O-CE1 3.34Å; H218-H279 PolarHBondContact O-N 3.5Å; H218-H279 PolarHBondContact O-ND1 3.07Å; H218-D280 HydrophobicContact CB-CB 4.07Å
219	L	84.6	Confident	83	Confident	24 Å²	24	43.7 Å²	43.7	13%	0.126	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-81.3	140.6	176.2	-63.3	-176.1	0	0	0	111.5	R90 L216 T217 R276 P277	R90-L219 PolarHBondContact NH2-O 3.03Å; L216-L219 HydrophobicContact CB-CD1 4.29Å; L216-L219 HydrophobicContact CD2-CD1 3.55Å; T217-L219 PolarHBondContact O-N 3.24Å; L219-R276 HydrophobicContact CD1-CB 4.22Å; L219-R276 HydrophobicContact CD1-CG 4.29Å; L219-R276 HydrophobicContact CD2-CB 3.83Å; L219-P277 CarbonylContact C-O 3.58Å; L219-P277 WeakPolarHBondContact CA-O 2.98Å
220	V	88	Confident	83.4	Confident	6 Å²	6	42.9 Å²	42.9	4%	0.036	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-78.2	137.2	173.5	180	0	0	0	0	109.1	R90 I222 P277 H279 L613 V628 D629 I631	R90-V220 PolarHBondContact NH2-O 3.26Å; V220-I222 HydrophobicContact CG1-CD1 4.39Å; V220-I222 HydrophobicContact CG1-CG1 4.07Å; V220-P277 HydrophobicContact CB-CB 4.19Å; V220-P277 HydrophobicContact CB-CG 4.03Å; V220-P277 HydrophobicContact CG2-CB 4.42Å; V220-P277 PolarHBondContact N-O 3.48Å; V220-H279 HydrophobicContact CG2-CB 4.19Å; V220-L613 HydrophobicContact CG1-CD1 4.18Å; V220-L613 HydrophobicContact CG2-CB 4.38Å; V220-L613 HydrophobicContact CG2-CD1 4.12Å; V220-L613 HydrophobicContact CG2-CD2 4.03Å; V220-L613 HydrophobicContact CG2-CG 4.39Å; V220-V628 WeakPolarHBondContact CG2-O 3.45Å; V220-D629 CarbonylContact C-O 3.52Å; V220-D629 VanDerWaalsContact CA-O 3.3Å; V220-D629 WeakPolarHBondContact CA-O 3.39Å; V220-I631 HydrophobicContact CG1-CG1 4.46Å
221	N	84	Confident	83.7	Confident	64 Å²	64	45 Å²	45	34%	0.342	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	116.4	179.2	-172.6	26.7	0	0	0	110.7	D629 A630 I631	N221-D629 PolarHBondContact N-O 3.17Å; N221-A630 HydrophobicContact CB-CB 3.84Å; N221-A630 CarbonylContact O-C 3.49Å; N221-A630 WeakPolarHBondContact O-CA 3.36Å; N221-I631 PolarHBondContact O-N 3.08Å
222	I	86.7	Confident	83.8	Confident	18 Å²	18	44.2 Å²	44.2	9%	0.092	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	128.2	177.5	-55.2	-172.2	0	0	0	107.4	V220 T226 Y227 P277 F610 I631	V220-I222 HydrophobicContact CG1-CD1 4.39Å; V220-I222 HydrophobicContact CG1-CG1 4.07Å; I222-T226 HydrophobicContact CG2-CG2 3.59Å; I222-Y227 HydrophobicContact CB-CD2 4.5Å; I222-Y227 HydrophobicContact CB-CE2 3.78Å; I222-Y227 HydrophobicContact CG2-CD1 4.37Å; I222-Y227 HydrophobicContact CG2-CD2 3.83Å; I222-Y227 HydrophobicContact CG2-CE1 4.13Å; I222-Y227 HydrophobicContact CG2-CE2 3.58Å; I222-Y227 HydrophobicContact CG2-CG 4.21Å; I222-P277 HydrophobicContact CD1-CG 3.6Å; I222-P277 HydrophobicContact CG1-CG 4.24Å; I222-F610 HydrophobicContact CD1-CD2 3.49Å; I222-F610 VanDerWaalsContact CD1-CD2 3.49Å; I222-F610 HydrophobicContact CD1-CE2 3.74Å; I222-I631 HydrophobicContact CD1-CB 4.47Å; I222-I631 HydrophobicContact CD1-CD1 4.03Å; I222-I631 HydrophobicContact CD1-CG1 4.41Å; I222-I631 HydrophobicContact CG1-CB 4.26Å
223	D	79.5	Confident	83.8	Confident	30 Å²	30	42 Å²	42	16%	0.16	21%	0.213	C	C	.	.			trans	-89.5	163.1	177.7	70.8	-12.2	0	0	0	112.4	D225 T226 Y227 K657	D223-D225 PolarHBondContact O-N 3.43Å; D223-T226 WeakPolarHBondContact O-CB 3.47Å; D223-T226 PolarHBondContact O-N 2.84Å; D223-T226 WeakPolarHBondContact OD1-CB 3.37Å; D223-T226 PolarHBondContact OD1-N 3.06Å; D223-T226 PolarHBondContact OD1-OG1 2.94Å; D223-Y227 WeakPolarHBondContact O-CD2 3.41Å; D223-Y227 PolarHBondContact O-N 3.24Å; D223-Y227 VanDerWaalsContact O-N 3.1Å; D223-K657 IonicContact OD2-NZ 3.33Å
224	Q	77.1	Confident	83.6	Confident	115 Å²	115	40 Å²	40	54%	0.537	20%	0.204	S	C	.	.	H	α-helix	trans	-58.6	-35.7	-178.7	-172.4	59.5	24.3	0	0	112.9	T226 Y227 S228	Q224-T226 VanDerWaalsContact C-N 3.29Å; Q224-T226 PolarHBondContact O-N 3.38Å; Q224-Y227 PolarHBondContact O-N 2.9Å; Q224-S228 PolarHBondContact O-N 2.85Å
225	D	80.8	Confident	83	Confident	38 Å²	38	42.6 Å²	42.6	20%	0.203	22%	0.224	C	C	.	.	H	α-helix	trans	-60.6	-43.1	177	-63.6	-17.3	0	0	0	109.8	D223 S228 V229 Q654 K657	D223-D225 PolarHBondContact O-N 3.43Å; D225-S228 PolarHBondContact O-N 3.17Å; D225-V229 VanDerWaalsContact O-CB 3.23Å; D225-V229 WeakPolarHBondContact O-CB 3.43Å; D225-V229 VanDerWaalsContact O-CG2 3.22Å; D225-V229 WeakPolarHBondContact O-CG2 3.46Å; D225-V229 PolarHBondContact O-N 3.39Å; D225-Q654 PolarHBondContact OD2-NE2 2.92Å; D225-Q654 VanDerWaalsContact OD2-NE2 3.1Å; D225-K657 IonicContact OD2-NZ 3.79Å
226	T	87.1	Confident	82.6	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65.5	-42.4	176.4	-61.9	0	0	0	0	112.9	I222 D223 Q224 S228 V229 L230 I631 T633	I222-T226 HydrophobicContact CG2-CG2 3.59Å; D223-T226 WeakPolarHBondContact O-CB 3.47Å; D223-T226 PolarHBondContact O-N 2.84Å; D223-T226 WeakPolarHBondContact OD1-CB 3.37Å; D223-T226 PolarHBondContact OD1-N 3.06Å; D223-T226 PolarHBondContact OD1-OG1 2.94Å; Q224-T226 VanDerWaalsContact C-N 3.29Å; Q224-T226 PolarHBondContact O-N 3.38Å; T226-S228 VanDerWaalsContact C-N 3.3Å; T226-S228 PolarHBondContact O-N 3.13Å; T226-V229 PolarHBondContact O-N 3.39Å; T226-L230 HydrophobicContact CG2-CD1 3.7Å; T226-L230 HydrophobicContact CG2-CG 4.19Å; T226-L230 WeakPolarHBondContact O-CB 3.33Å; T226-L230 WeakPolarHBondContact O-CG 3.35Å; T226-L230 PolarHBondContact O-N 3.38Å; T226-I631 HydrophobicContact CG2-CG2 4.04Å; T226-T633 VanDerWaalsContact CA-OG1 3.29Å; T226-T633 WeakPolarHBondContact CA-OG1 3.29Å; T226-T633 WeakPolarHBondContact CB-OG1 3.48Å; T226-T633 HydrophobicContact CG2-CG2 3.5Å; T226-T633 VanDerWaalsContact CG2-CG2 3.5Å; T226-T633 PolarHBondContact OG1-N 3.06Å; T226-T633 PolarHBondContact OG1-OG1 3.21Å
227	Y	87.6	Confident	82	Confident	15 Å²	15	44.7 Å²	44.7	6%	0.059	24%	0.241	C	C	.	.	H	α-helix	trans	-57.6	-43.5	174.8	-78.1	-67	0	0	0	112.4	I222 D223 Q224 Q231 I232 F233 F274 T275 F610	I222-Y227 HydrophobicContact CB-CD2 4.5Å; I222-Y227 HydrophobicContact CB-CE2 3.78Å; I222-Y227 HydrophobicContact CG2-CD1 4.37Å; I222-Y227 HydrophobicContact CG2-CD2 3.83Å; I222-Y227 HydrophobicContact CG2-CE1 4.13Å; I222-Y227 HydrophobicContact CG2-CE2 3.58Å; I222-Y227 HydrophobicContact CG2-CG 4.21Å; D223-Y227 WeakPolarHBondContact O-CD2 3.41Å; D223-Y227 PolarHBondContact O-N 3.24Å; D223-Y227 VanDerWaalsContact O-N 3.1Å; Q224-Y227 PolarHBondContact O-N 2.9Å; Y227-Q231 PolarHBondContact O-N 3.49Å; Y227-I232 HydrophobicContact CD1-CB 3.86Å; Y227-I232 HydrophobicContact CD1-CD1 3.63Å; Y227-I232 HydrophobicContact CD1-CG1 4.34Å; Y227-I232 HydrophobicContact CD1-CG2 3.77Å; Y227-I232 HydrophobicContact CE1-CD1 4.02Å; Y227-I232 HydrophobicContact CE1-CG2 4.18Å; Y227-I232 PolarHBondContact O-N 2.8Å; Y227-F233 AromaticContact CD1-CD2 3.95Å; Y227-F233 HydrophobicContact CD1-CD2 3.95Å; Y227-F233 AromaticContact CD1-CE2 3.88Å; Y227-F233 HydrophobicContact CD1-CE2 3.88Å; Y227-F233 HydrophobicContact CE1-CE2 4.1Å; Y227-F233 HydrophobicContact CG-CD2 4.38Å; Y227-F274 WeakPolarHBondContact CE1-O 3.38Å; Y227-F274 PolarHBondContact OH-O 3.29Å; Y227-F274 VanDerWaalsContact OH-O 3.05Å; Y227-T275 WeakPolarHBondContact OH-CA 3.03Å; Y227-T275 PolarHBondContact OH-O 2.76Å; Y227-F610 AromaticContact CE1-CE2 3.86Å; Y227-F610 HydrophobicContact CE1-CE2 3.86Å; Y227-F610 HydrophobicContact CE1-CZ 4.17Å
228	S	85.1	Confident	81.2	Confident	59 Å²	59	44 Å²	44	41%	0.413	23%	0.232	S	C	.	.	H	α-helix	trans	-69.6	-48.1	179.1	179.8	0	0	0	0	112.3	Q224 D225 T226 L230 Q231	Q224-S228 PolarHBondContact O-N 2.85Å; D225-S228 PolarHBondContact O-N 3.17Å; T226-S228 VanDerWaalsContact C-N 3.3Å; T226-S228 PolarHBondContact O-N 3.13Å; S228-L230 PolarHBondContact O-N 3.13Å; S228-Q231 WeakPolarHBondContact O-CA 3.45Å; S228-Q231 PolarHBondContact O-N 2.81Å
229	V	87.6	Confident	80.2	Confident	10 Å²	10	45.5 Å²	45.5	6%	0.061	25%	0.25	C	S	.	.	H	α-helix	trans	-65.1	-42.4	-175.8	158.9	0	0	0	0	112.8	D225 T226 Q231 K603 I635 H636	D225-V229 VanDerWaalsContact O-CB 3.23Å; D225-V229 WeakPolarHBondContact O-CB 3.43Å; D225-V229 VanDerWaalsContact O-CG2 3.22Å; D225-V229 WeakPolarHBondContact O-CG2 3.46Å; D225-V229 PolarHBondContact O-N 3.39Å; T226-V229 PolarHBondContact O-N 3.39Å; V229-Q231 PolarHBondContact O-N 2.9Å; V229-K603 VanDerWaalsContact O-CE 3.25Å; V229-K603 WeakPolarHBondContact O-CE 3.23Å; V229-K603 PolarHBondContact O-NZ 2.86Å; V229-I635 HydrophobicContact CG1-CB 3.49Å; V229-I635 VanDerWaalsContact CG1-CB 3.49Å; V229-I635 HydrophobicContact CG1-CD1 3.75Å; V229-I635 HydrophobicContact CG1-CG1 3.96Å; V229-I635 HydrophobicContact CG1-CG2 4.2Å; V229-H636 HydrophobicContact CG2-CB 4.46Å
230	L	90.5	Very high	79	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.005	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-6	174.5	-65.1	-178.1	0	0	0	111.8	T226 S228 I232 K603 L607 T633 I635 L669	T226-L230 HydrophobicContact CG2-CD1 3.7Å; T226-L230 HydrophobicContact CG2-CG 4.19Å; T226-L230 WeakPolarHBondContact O-CB 3.33Å; T226-L230 WeakPolarHBondContact O-CG 3.35Å; T226-L230 PolarHBondContact O-N 3.38Å; S228-L230 PolarHBondContact O-N 3.13Å; L230-I232 HydrophobicContact CB-CD1 4.13Å; L230-I232 HydrophobicContact CB-CG1 3.94Å; L230-I232 HydrophobicContact CD1-CD1 4.16Å; L230-I232 PolarHBondContact O-N 2.97Å; L230-K603 HydrophobicContact CD2-CB 4.25Å; L230-K603 HydrophobicContact CD2-CG 4.14Å; L230-L607 HydrophobicContact CB-CD2 4.05Å; L230-L607 HydrophobicContact CB-CG 4.39Å; L230-L607 WeakPolarHBondContact O-CD2 3.27Å; L230-T633 HydrophobicContact CD1-CG2 4.45Å; L230-T633 HydrophobicContact CG-CG2 4.43Å; L230-I635 HydrophobicContact CD2-CD1 4.33Å; L230-L669 HydrophobicContact CD2-CD1 4.46Å
231	Q	91	Very high	77.6	Confident	57 Å²	57	51.8 Å²	51.8	27%	0.266	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	41.3	-175.4	-58.7	176.7	-95	0	0	111.4	Y227 S228 V229 F233 S253 L254 L565	Y227-Q231 PolarHBondContact O-N 3.49Å; S228-Q231 WeakPolarHBondContact O-CA 3.45Å; S228-Q231 PolarHBondContact O-N 2.81Å; V229-Q231 PolarHBondContact O-N 2.9Å; Q231-F233 VanDerWaalsContact C-N 3.35Å; Q231-S253 CarbonylContact O-C 3.51Å; Q231-S253 VanDerWaalsContact O-CA 3.28Å; Q231-S253 WeakPolarHBondContact O-CA 3.5Å; Q231-S253 WeakPolarHBondContact O-CB 3.48Å; Q231-L254 PolarHBondContact O-N 3.1Å; Q231-L565 HydrophobicContact CB-CD1 3.81Å
232	I	91	Very high	76.4	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.317	C	S	.	.	S	Bend	trans	-66	-46.5	174.9	-68.7	167.6	0	0	0	109	Y227 L230 S253 L254 F255 F274 L607 F610	Y227-I232 HydrophobicContact CD1-CB 3.86Å; Y227-I232 HydrophobicContact CD1-CD1 3.63Å; Y227-I232 HydrophobicContact CD1-CG1 4.34Å; Y227-I232 HydrophobicContact CD1-CG2 3.77Å; Y227-I232 HydrophobicContact CE1-CD1 4.02Å; Y227-I232 HydrophobicContact CE1-CG2 4.18Å; Y227-I232 PolarHBondContact O-N 2.8Å; L230-I232 HydrophobicContact CB-CD1 4.13Å; L230-I232 HydrophobicContact CB-CG1 3.94Å; L230-I232 HydrophobicContact CD1-CD1 4.16Å; L230-I232 PolarHBondContact O-N 2.97Å; I232-S253 WeakPolarHBondContact O-CB 3.28Å; I232-L254 HydrophobicContact CG1-CD2 4.45Å; I232-L254 PolarHBondContact O-N 3.37Å; I232-F255 VanDerWaalsContact O-CB 3.31Å; I232-F255 WeakPolarHBondContact O-CB 3.3Å; I232-F255 PolarHBondContact O-N 2.83Å; I232-F274 HydrophobicContact CG2-CD1 3.76Å; I232-L607 HydrophobicContact CG1-CD2 4.14Å; I232-F610 HydrophobicContact CD1-CD1 3.96Å; I232-F610 HydrophobicContact CD1-CD2 3.66Å; I232-F610 HydrophobicContact CD1-CE1 3.98Å; I232-F610 HydrophobicContact CD1-CE2 3.67Å; I232-F610 HydrophobicContact CD1-CG 3.8Å; I232-F610 HydrophobicContact CD1-CZ 3.82Å; I232-F610 HydrophobicContact CG1-CD1 4.18Å; I232-F610 HydrophobicContact CG1-CE1 4.1Å; I232-F610 HydrophobicContact CG1-CG 4.48Å; I232-F610 HydrophobicContact CG1-CZ 4.32Å; I232-F610 HydrophobicContact CG2-CE1 3.72Å; I232-F610 HydrophobicContact CG2-CE2 4.48Å; I232-F610 HydrophobicContact CG2-CZ 3.64Å
233	F	88.1	Confident	74.8	Confident	28 Å²	28	63.9 Å²	63.9	12%	0.123	34%	0.336	C	S	.	.	S	Bend	trans	-118.1	143.2	168.1	-58.8	-68.5	0	0	0	109	Y227 Q231 E250 F255 R271 F274 T275	Y227-F233 AromaticContact CD1-CD2 3.95Å; Y227-F233 HydrophobicContact CD1-CD2 3.95Å; Y227-F233 AromaticContact CD1-CE2 3.88Å; Y227-F233 HydrophobicContact CD1-CE2 3.88Å; Y227-F233 HydrophobicContact CE1-CE2 4.1Å; Y227-F233 HydrophobicContact CG-CD2 4.38Å; Q231-F233 VanDerWaalsContact C-N 3.35Å; F233-E250 WeakPolarHBondContact CA-OE1 3.43Å; F233-F255 HydrophobicContact CD1-CB 3.65Å; F233-F255 HydrophobicContact CD1-CD1 4.25Å; F233-F255 HydrophobicContact CD1-CD2 4.46Å; F233-F255 AromaticContact CD1-CG 3.88Å; F233-F255 HydrophobicContact CD1-CG 3.88Å; F233-F255 HydrophobicContact CE1-CB 3.72Å; F233-F255 HydrophobicContact CE1-CD1 4.3Å; F233-F255 AromaticContact CE1-CD2 3.78Å; F233-F255 HydrophobicContact CE1-CD2 3.78Å; F233-F255 HydrophobicContact CE1-CE2 4.49Å; F233-F255 AromaticContact CE1-CG 3.67Å; F233-F255 HydrophobicContact CE1-CG 3.67Å; F233-R271 HydrophobicContact CE1-CG 3.84Å; F233-R271 HydrophobicContact CZ-CG 4.07Å; F233-F274 HydrophobicContact CE1-CB 4.08Å; F233-F274 HydrophobicContact CE1-CD1 4.34Å; F233-F274 HydrophobicContact CE2-CB 4.21Å; F233-F274 HydrophobicContact CZ-CB 3.42Å; F233-F274 VanDerWaalsContact CZ-CB 3.42Å; F233-F274 HydrophobicContact CZ-CD1 4.34Å; F233-F274 HydrophobicContact CZ-CG 4.35Å; F233-T275 HydrophobicContact CE2-CG2 3.75Å; F233-T275 HydrophobicContact CZ-CG2 3.84Å
234	K	81.6	Confident	73.5	Confident	76 Å²	76	66.1 Å²	66.1	33%	0.33	35%	0.35	S	S	.	.			trans	-145.2	104.7	172.6	-167.2	-175	-175.8	-160.3	0	109.4	E236 E250 G251	K234-E236 HydrophobicContact CD-CG 4.34Å; K234-E236 WeakPolarHBondContact CE-OE1 3.43Å; K234-E236 HydrophobicContact CG-CG 4.34Å; K234-E236 IonicContact NZ-OE1 2.72Å; K234-E236 PolarHBondContact NZ-OE1 3.1Å; K234-E250 PolarHBondContact N-OE1 2.9Å; K234-G251 PolarHBondContact O-N 2.87Å
235	S	71	Confident	72.3	Confident	68 Å²	68	65.5 Å²	65.5	48%	0.476	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	121.4	170.7	-59.5	0	0	0	0	109.7
236	E	65.7	Low	70.9	Confident	78 Å²	78	68.4 Å²	68.4	36%	0.364	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	136	171.5	-69.7	-176	172.7	0	0	109.4	K234 K249	K234-E236 HydrophobicContact CD-CG 4.34Å; K234-E236 WeakPolarHBondContact CE-OE1 3.43Å; K234-E236 HydrophobicContact CG-CG 4.34Å; K234-E236 IonicContact NZ-OE1 2.72Å; K234-E236 PolarHBondContact NZ-OE1 3.1Å; E236-K249 PolarHBondContact N-O 3.45Å; E236-K249 PolarHBondContact O-N 2.74Å
237	S	61.2	Low	69.3	Low	79 Å²	79	70.1 Å²	70.1	55%	0.552	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.1	141.9	170.8	49.8	0	0	0	0	109.4
238	H	57.4	Low	68	Low	62 Å²	62	75.2 Å²	75.2	29%	0.287	43%	0.434	S	S	.	.			trans	-58.9	133.9	173.9	-165.6	-83.9	0	0	0	109.3	S240 K243	H238-S240 PolarHBondContact CE1-OG 3.3Å; H238-S240 PolarHBondContact ND1-N 3.3Å; H238-S240 VanDerWaalsContact ND1-N 3.15Å; H238-S240 PolarHBondContact ND1-OG 3.12Å; H238-S240 PolarHBondContact O-N 3.48Å; H238-S240 VanDerWaalsContact O-N 3.12Å; H238-K243 HydrophobicContact CB-CB 4.04Å
239	P	59.3	Low	67.2	Low	127 Å²	127	79.6 Å²	79.6	83%	0.825	45%	0.445	S	S	*	.	S	Bend	trans	-62.8	-22.3	-176.6	21.7	-32.5	0	0	0	113.2
240	S	58.3	Low	66.6	Low	41 Å²	41	81.5 Å²	81.5	29%	0.287	45%	0.453	S	S	.	.	S	Bend	trans	-86.6	123	171.7	72.7	0	0	0	0	111.8	H238 Y242 K243 V244	H238-S240 PolarHBondContact CE1-OG 3.3Å; H238-S240 PolarHBondContact ND1-N 3.3Å; H238-S240 VanDerWaalsContact ND1-N 3.15Å; H238-S240 PolarHBondContact ND1-OG 3.12Å; H238-S240 PolarHBondContact O-N 3.48Å; H238-S240 VanDerWaalsContact O-N 3.12Å; S240-Y242 PolarHBondContact O-N 2.93Å; S240-K243 PolarHBondContact O-N 3.28Å; S240-K243 WeakPolarHBondContact OG-CB 3.42Å; S240-V244 PolarHBondContact O-N 2.83Å
241	V	59.9	Low	66.1	Low	121 Å²	121	82.1 Å²	82.1	73%	0.733	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-53.5	-38.2	177.7	-178.1	0	0	0	0	112	K243 V244	V241-K243 PolarHBondContact O-N 3.46Å; V241-V244 WeakPolarHBondContact O-CB 3.18Å; V241-V244 PolarHBondContact O-N 2.9Å; V241-V244 VanDerWaalsContact O-N 3.14Å
242	Y	57.2	Low	65.9	Low	224 Å²	224	82.8 Å²	82.8	88%	0.878	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-63	-25	178.8	-62	-76.9	0	0	0	114.1	S240	S240-Y242 PolarHBondContact O-N 2.93Å
243	K	54.4	Low	65.9	Low	112 Å²	112	82.8 Å²	82.8	49%	0.487	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-104.3	4.9	177	-67.7	-166.9	175.2	-167.9	0	113.2	H238 S240 V241 A245 S246	H238-K243 HydrophobicContact CB-CB 4.04Å; S240-K243 PolarHBondContact O-N 3.28Å; S240-K243 WeakPolarHBondContact OG-CB 3.42Å; V241-K243 PolarHBondContact O-N 3.46Å; K243-A245 PolarHBondContact O-N 3.04Å; K243-S246 WeakPolarHBondContact O-CA 3.4Å; K243-S246 WeakPolarHBondContact O-CB 3.39Å; K243-S246 PolarHBondContact O-N 3.06Å
244	V	52.3	Low	66.2	Low	77 Å²	77	81.5 Å²	81.5	47%	0.467	46%	0.459	S	S	.	.	S	Bend	trans	-60.3	-33.3	173.8	174.4	0	0	0	0	110.6	S240 V241 S246	S240-V244 PolarHBondContact O-N 2.83Å; V241-V244 WeakPolarHBondContact O-CB 3.18Å; V241-V244 PolarHBondContact O-N 2.9Å; V241-V244 VanDerWaalsContact O-N 3.14Å; V244-S246 VanDerWaalsContact C-N 3.33Å
245	A	51	Low	66.8	Low	103 Å²	103	78 Å²	78	85%	0.851	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-26.7	172.2	0	0	0	0	0	113.5	K243 G247	K243-A245 PolarHBondContact O-N 3.04Å; A245-G247 PolarHBondContact O-N 2.81Å; A245-G247 VanDerWaalsContact O-N 3.14Å
246	S	51.4	Low	67.7	Low	98 Å²	98	76.4 Å²	76.4	69%	0.685	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-5.1	-177.4	-169.2	0	0	0	0	113.5	K243 V244	K243-S246 WeakPolarHBondContact O-CA 3.4Å; K243-S246 WeakPolarHBondContact O-CB 3.39Å; K243-S246 PolarHBondContact O-N 3.06Å; V244-S246 VanDerWaalsContact C-N 3.33Å
247	G	53.7	Low	69	Low	36 Å²	36	73.3 Å²	73.3	37%	0.371	42%	0.424	S	S	.	.			trans	121.1	157.4	174.2	0	0	0	0	0	113.5	A245	A245-G247 PolarHBondContact O-N 2.81Å; A245-G247 VanDerWaalsContact O-N 3.14Å
248	L	61	Low	70.6	Confident	123 Å²	123	69.6 Å²	69.6	64%	0.644	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.2	127.3	168.4	-66.5	165.8	0	0	0	107.9
249	K	67.9	Low	72.2	Confident	151 Å²	151	68.6 Å²	68.6	66%	0.657	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	146.4	173	-167.5	175.6	179.4	176.9	0	108.9	E236 G251	E236-K249 PolarHBondContact N-O 3.45Å; E236-K249 PolarHBondContact O-N 2.74Å; K249-G251 PolarHBondContact O-N 2.76Å
250	E	74.6	Confident	73.8	Confident	50 Å²	50	65.3 Å²	65.3	23%	0.234	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	119.1	169	-166.6	71.6	-161	0	0	109.3	F233 K234 S253 F255	F233-E250 WeakPolarHBondContact CA-OE1 3.43Å; K234-E250 PolarHBondContact N-OE1 2.9Å; E250-S253 VanDerWaalsContact OE1-CB 3.24Å; E250-S253 WeakPolarHBondContact OE1-CB 3.34Å; E250-S253 PolarHBondContact OE1-OG 3.29Å; E250-F255 HydrophobicContact CG-CD1 3.9Å
251	G	80.2	Confident	75.4	Confident	14 Å²	14	64.5 Å²	64.5	14%	0.144	36%	0.36	C	S	.	.			trans	-84.3	-159.3	174.5	0	0	0	0	0	112.2	K234 K249 S253	K234-G251 PolarHBondContact O-N 2.87Å; K249-G251 PolarHBondContact O-N 2.76Å; G251-S253 PolarHBondContact O-N 3.4Å
252	L	85.9	Confident	76.9	Confident	71 Å²	71	63.3 Å²	63.3	37%	0.372	35%	0.346	S	S	.	.	S	Bend	trans	-69.6	101.1	176	-174.5	69.3	0	0	0	110.7	I257 L565 C569	L252-I257 HydrophobicContact CD1-CG2 4.1Å; L252-L565 HydrophobicContact CD1-CD2 4.41Å; L252-L565 HydrophobicContact CG-CD2 4.44Å; L252-C569 WeakPolarHBondContact CD2-SG 3.32Å
253	S	91.4	Very high	78.3	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	31%	0.306	C	S	.	.	S	Bend	trans	-141.7	166.4	180	73.8	0	0	0	0	111.3	Q231 I232 E250 G251 F255 G256 I257 L565	Q231-S253 CarbonylContact O-C 3.51Å; Q231-S253 VanDerWaalsContact O-CA 3.28Å; Q231-S253 WeakPolarHBondContact O-CA 3.5Å; Q231-S253 WeakPolarHBondContact O-CB 3.48Å; I232-S253 WeakPolarHBondContact O-CB 3.28Å; E250-S253 VanDerWaalsContact OE1-CB 3.24Å; E250-S253 WeakPolarHBondContact OE1-CB 3.34Å; E250-S253 PolarHBondContact OE1-OG 3.29Å; G251-S253 PolarHBondContact O-N 3.4Å; S253-F255 VanDerWaalsContact C-N 3.26Å; S253-F255 PolarHBondContact O-N 2.85Å; S253-F255 PolarHBondContact OG-N 2.84Å; S253-G256 PolarHBondContact O-N 2.79Å; S253-G256 PolarHBondContact OG-N 2.72Å; S253-I257 PolarHBondContact O-N 3.23Å; S253-I257 VanDerWaalsContact O-N 3.11Å; S253-L565 VanDerWaalsContact C-CD2 3.47Å; S253-L565 WeakPolarHBondContact O-CD2 3.23Å
254	L	94.6	Very high	79.9	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-59.6	-41.4	174.8	-177.4	65.1	0	0	0	111.1	Q231 I232 I257 L258 F274 P564 L607 F610 M611	Q231-L254 PolarHBondContact O-N 3.1Å; I232-L254 HydrophobicContact CG1-CD2 4.45Å; I232-L254 PolarHBondContact O-N 3.37Å; L254-I257 HydrophobicContact CD1-CD1 4.1Å; L254-I257 HydrophobicContact CD1-CG1 4.33Å; L254-I257 VanDerWaalsContact O-CG1 3.26Å; L254-I257 WeakPolarHBondContact O-CG1 3.34Å; L254-I257 PolarHBondContact O-N 2.81Å; L254-L258 HydrophobicContact CD1-CD1 3.85Å; L254-L258 HydrophobicContact CD1-CG 4.29Å; L254-L258 HydrophobicContact CG-CD1 4.02Å; L254-L258 WeakPolarHBondContact O-CB 3.44Å; L254-L258 WeakPolarHBondContact O-CG 3.49Å; L254-L258 PolarHBondContact O-N 2.8Å; L254-F274 HydrophobicContact CB-CE1 4.48Å; L254-F274 HydrophobicContact CD2-CE1 4.18Å; L254-F274 HydrophobicContact CG-CE1 4.01Å; L254-P564 HydrophobicContact CD1-CB 4.36Å; L254-P564 HydrophobicContact CD1-CG 4.02Å; L254-L607 HydrophobicContact CB-CD2 4.26Å; L254-L607 HydrophobicContact CD2-CD2 3.8Å; L254-L607 HydrophobicContact CG-CD2 4.44Å; L254-F610 HydrophobicContact CD2-CD1 3.43Å; L254-F610 VanDerWaalsContact CD2-CD1 3.43Å; L254-F610 HydrophobicContact CD2-CE1 3.63Å; L254-M611 HydrophobicContact CD1-CE 4.41Å; L254-M611 HydrophobicContact CD1-CG 3.98Å; L254-M611 HydrophobicContact CD1-SD 3.77Å; L254-M611 HydrophobicContact CD2-CG 3.74Å; L254-M611 HydrophobicContact CG-CG 4.42Å
255	F	93.7	Very high	81.5	Confident	3 Å²	3	50 Å²	50	1%	0.013	29%	0.287	C	S	.	.	H	α-helix	trans	-61.1	-46	175.4	177.9	-102.5	0	0	0	110.8	I232 F233 E250 S253 I257 L258 N259 E267 L270 R271 F274	I232-F255 VanDerWaalsContact O-CB 3.31Å; I232-F255 WeakPolarHBondContact O-CB 3.3Å; I232-F255 PolarHBondContact O-N 2.83Å; F233-F255 HydrophobicContact CD1-CB 3.65Å; F233-F255 HydrophobicContact CD1-CD1 4.25Å; F233-F255 HydrophobicContact CD1-CD2 4.46Å; F233-F255 AromaticContact CD1-CG 3.88Å; F233-F255 HydrophobicContact CD1-CG 3.88Å; F233-F255 HydrophobicContact CE1-CB 3.72Å; F233-F255 HydrophobicContact CE1-CD1 4.3Å; F233-F255 AromaticContact CE1-CD2 3.78Å; F233-F255 HydrophobicContact CE1-CD2 3.78Å; F233-F255 HydrophobicContact CE1-CE2 4.49Å; F233-F255 AromaticContact CE1-CG 3.67Å; F233-F255 HydrophobicContact CE1-CG 3.67Å; E250-F255 HydrophobicContact CG-CD1 3.9Å; S253-F255 VanDerWaalsContact C-N 3.26Å; S253-F255 PolarHBondContact O-N 2.85Å; S253-F255 PolarHBondContact OG-N 2.84Å; F255-I257 PolarHBondContact O-N 2.86Å; F255-L258 PolarHBondContact O-N 3.42Å; F255-N259 HydrophobicContact CE1-CB 4.3Å; F255-N259 HydrophobicContact CZ-CB 4.27Å; F255-N259 WeakPolarHBondContact O-CB 3.43Å; F255-N259 PolarHBondContact O-N 3.03Å; F255-E267 HydrophobicContact CZ-CG 3.89Å; F255-L270 HydrophobicContact CD2-CD2 4.03Å; F255-L270 HydrophobicContact CD2-CG 4.05Å; F255-L270 HydrophobicContact CE2-CB 4.1Å; F255-L270 HydrophobicContact CE2-CD2 3.67Å; F255-L270 HydrophobicContact CE2-CG 3.69Å; F255-L270 HydrophobicContact CZ-CD2 4.45Å; F255-R271 HydrophobicContact CE2-CB 3.75Å; F255-R271 HydrophobicContact CE2-CG 4.24Å; F255-R271 HydrophobicContact CZ-CB 3.99Å; F255-R271 HydrophobicContact CZ-CG 4.35Å; F255-F274 VanDerWaalsContact CA-CE1 3.49Å; F255-F274 HydrophobicContact CB-CD1 3.93Å; F255-F274 HydrophobicContact CB-CE1 3.9Å; F255-F274 HydrophobicContact CD2-CD1 4.04Å; F255-F274 HydrophobicContact CD2-CE1 4.21Å; F255-F274 HydrophobicContact CD2-CG 4.32Å; F255-F274 HydrophobicContact CG-CD1 4.49Å
256	G	90.6	Very high	83.3	Confident	34 Å²	34	45.1 Å²	45.1	35%	0.351	25%	0.246	S	C	.	.	H	α-helix	trans	-60.4	-38.5	179.9	0	0	0	0	0	114.1	S253	S253-G256 PolarHBondContact O-N 2.79Å; S253-G256 PolarHBondContact OG-N 2.72Å
257	I	92.5	Very high	85.2	Confident	14 Å²	14	44.4 Å²	44.4	7%	0.072	23%	0.232	C	C	.	.	H	α-helix	trans	-78.3	-24.6	-179.8	66.7	161.8	0	0	0	113.5	L252 S253 L254 F255 Y542 P564 L565 L568	L252-I257 HydrophobicContact CD1-CG2 4.1Å; S253-I257 PolarHBondContact O-N 3.23Å; S253-I257 VanDerWaalsContact O-N 3.11Å; L254-I257 HydrophobicContact CD1-CD1 4.1Å; L254-I257 HydrophobicContact CD1-CG1 4.33Å; L254-I257 VanDerWaalsContact O-CG1 3.26Å; L254-I257 WeakPolarHBondContact O-CG1 3.34Å; L254-I257 PolarHBondContact O-N 2.81Å; F255-I257 PolarHBondContact O-N 2.86Å; I257-Y542 HydrophobicContact CB-CE2 4.46Å; I257-P564 HydrophobicContact CD1-CB 3.89Å; I257-L565 HydrophobicContact CD1-CD2 3.95Å; I257-L565 HydrophobicContact CG1-CD2 4.2Å; I257-L565 HydrophobicContact CG2-CD2 3.93Å; I257-L568 HydrophobicContact CB-CD1 4.32Å; I257-L568 HydrophobicContact CD1-CD1 4.42Å; I257-L568 HydrophobicContact CG2-CD1 3.62Å
258	L	94.3	Very high	86.8	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-95.2	-22.8	-179.3	-70.5	-176.7	0	0	0	112.6	L254 F255 R260 F274 L535 A538 Y544 M611	L254-L258 HydrophobicContact CD1-CD1 3.85Å; L254-L258 HydrophobicContact CD1-CG 4.29Å; L254-L258 HydrophobicContact CG-CD1 4.02Å; L254-L258 WeakPolarHBondContact O-CB 3.44Å; L254-L258 WeakPolarHBondContact O-CG 3.49Å; L254-L258 PolarHBondContact O-N 2.8Å; F255-L258 PolarHBondContact O-N 3.42Å; L258-R260 PolarHBondContact O-N 3.44Å; L258-F274 HydrophobicContact CB-CZ 4.04Å; L258-F274 HydrophobicContact CD1-CE1 4.3Å; L258-F274 HydrophobicContact CD1-CE2 4.47Å; L258-F274 HydrophobicContact CD1-CZ 3.56Å; L258-F274 HydrophobicContact CG-CZ 4.38Å; L258-L535 HydrophobicContact CB-CD2 4.12Å; L258-L535 HydrophobicContact CD1-CD2 4.13Å; L258-L535 HydrophobicContact CD2-CD2 4.31Å; L258-L535 HydrophobicContact CG-CD2 4.41Å; L258-A538 HydrophobicContact CD2-CB 3.63Å; L258-Y544 HydrophobicContact CD2-CE2 4.11Å; L258-M611 HydrophobicContact CD1-CE 3.92Å; L258-M611 HydrophobicContact CD1-CG 4.46Å; L258-M611 HydrophobicContact CD2-CE 4.26Å
259	N	92.4	Very high	88.2	Confident	40 Å²	40	41.6 Å²	41.6	21%	0.214	21%	0.205	C	C	.	.			trans	-71.9	97.1	176.6	-175.5	15.7	0	0	0	110.4	F255 C261 E267 L270	F255-N259 HydrophobicContact CE1-CB 4.3Å; F255-N259 HydrophobicContact CZ-CB 4.27Å; F255-N259 WeakPolarHBondContact O-CB 3.43Å; F255-N259 PolarHBondContact O-N 3.03Å; N259-C261 PolarHBondContact OD1-N 3.35Å; N259-E267 VanDerWaalsContact ND2-CD 3.3Å; N259-E267 WeakPolarHBondContact ND2-CG 3.45Å; N259-E267 PolarHBondContact ND2-OE1 3.38Å; N259-E267 VanDerWaalsContact ND2-OE1 3.14Å; N259-L270 HydrophobicContact CB-CD2 3.73Å
260	R	91.9	Very high	89.4	Confident	59 Å²	59	34.4 Å²	34.4	22%	0.223	17%	0.174	C	C	.	.			trans	-126.3	27.1	172.5	-58.5	-178.4	175.2	-157.2	-4.2	110.7	L258 H262 A534 S537 D541 Y542	L258-R260 PolarHBondContact O-N 3.44Å; R260-H262 PolarHBondContact O-CD2 3.14Å; R260-A534 VanDerWaalsContact C-CB 3.48Å; R260-A534 HydrophobicContact CB-CB 3.96Å; R260-S537 PolarHBondContact NH1-O 3.18Å; R260-S537 PolarHBondContact NH1-OG 2.78Å; R260-D541 IonicContact CZ-OD2 2.74Å; R260-D541 VanDerWaalsContact NH1-CG 3.27Å; R260-D541 IonicContact NH1-OD1 3.31Å; R260-D541 IonicContact NH1-OD2 3.88Å; R260-D541 PolarHBondContact NH1-OD2 2.91Å; R260-D541 IonicContact NH2-OD2 3.31Å; R260-D541 PolarHBondContact NH2-OD2 3.37Å; R260-D541 VanDerWaalsContact NH2-OD2 3.1Å; R260-Y542 PolarHBondContact NH2-OH 2.84Å
261	C	93.1	Very high	90.1	Very high	23 Å²	23	38 Å²	38	16%	0.155	19%	0.185	C	C	.	.			trans	-68.1	139.5	179.8	-65.5	0	0	0	0	109.7	N259 E267 D530	N259-C261 PolarHBondContact OD1-N 3.35Å; C261-E267 HydrophobicContact CB-CB 4.36Å; C261-D530 WeakPolarHBondContact CA-OD2 3.46Å; C261-D530 VanDerWaalsContact CB-OD2 3.25Å; C261-D530 WeakPolarHBondContact CB-OD2 3.2Å
262	H	89.9	Confident	90.4	Very high	96 Å²	96	40.5 Å²	40.5	44%	0.444	20%	0.195	S	C	.	.	S	Bend	trans	-92.6	-18	177.2	-80.8	-116.3	0	0	0	112.7	R260 H307 L310 D530	R260-H262 PolarHBondContact O-CD2 3.14Å; H262-H307 AromaticContact CD2-CD2 3.89Å; H262-H307 AromaticContact CD2-CE1 3.72Å; H262-H307 AromaticContact CD2-CG 3.54Å; H262-H307 AromaticContact CD2-ND1 3.41Å; H262-H307 PolarHBondContact CD2-ND1 2.85Å; H262-H307 AromaticContact NE2-CE1 3.88Å; H262-H307 AromaticContact NE2-CG 3.68Å; H262-H307 AromaticContact NE2-ND1 3.26Å; H262-H307 PolarHBondContact NE2-ND1 3.2Å; H262-L310 HydrophobicContact CB-CB 4.49Å; H262-D530 PolarHBondContact N-OD1 2.95Å; H262-D530 PolarHBondContact N-OD2 2.95Å
263	C	88.4	Confident	90.6	Very high	6 Å²	6	38 Å²	38	4%	0.041	18%	0.181	C	C	.	.	S	Bend	trans	-115.6	144	174.6	74.7	0	0	0	0	112.2	W265 G266 E267 L310 D530	C263-W265 PolarHBondContact O-N 3.21Å; C263-G266 WeakPolarHBondContact O-CA 3.4Å; C263-G266 PolarHBondContact O-N 3.21Å; C263-G266 PolarHBondContact SG-N 3.07Å; C263-E267 PolarHBondContact O-N 2.55Å; C263-E267 VanDerWaalsContact O-N 3.08Å; C263-L310 WeakPolarHBondContact CB-O 3.43Å; C263-D530 PolarHBondContact N-OD2 2.9Å; C263-D530 PolarHBondContact SG-OD2 3.47Å
264	K	86	Confident	90.6	Very high	95 Å²	95	38.1 Å²	38.1	41%	0.413	18%	0.181	S	C	.	.	H	α-helix	trans	-60.1	-31.4	179.3	-69.2	-168.4	176	-176.6	0	113	E43 E45 E267 K268	E43-K264 WeakPolarHBondContact OE2-CD 3.24Å; E43-K264 VanDerWaalsContact OE2-CE 3.24Å; E43-K264 WeakPolarHBondContact OE2-CE 3.2Å; E43-K264 IonicContact OE2-NZ 2.83Å; E43-K264 PolarHBondContact OE2-NZ 2.95Å; E45-K264 IonicContact OE1-NZ 2.78Å; E45-K264 PolarHBondContact OE1-NZ 3.44Å; K264-E267 PolarHBondContact O-N 3.37Å; K264-K268 WeakPolarHBondContact O-CB 3.23Å; K264-K268 PolarHBondContact O-N 2.8Å
265	W	86.2	Confident	90.2	Very high	34 Å²	34	40.1 Å²	40.1	13%	0.129	19%	0.193	C	C	.	.	H	α-helix	trans	-69.2	-34.6	174.7	-69.7	99	0	0	0	112.4	D70 C263 K268 L269 P317 L523 S527	D70-W265 HydrophobicContact CB-CH2 3.57Å; D70-W265 HydrophobicContact CB-CZ3 3.93Å; C263-W265 PolarHBondContact O-N 3.21Å; W265-K268 HydrophobicContact CE3-CD 4.24Å; W265-K268 HydrophobicContact CZ3-CD 4.05Å; W265-K268 PolarHBondContact O-N 3.41Å; W265-L269 VanDerWaalsContact O-CB 3.3Å; W265-L269 WeakPolarHBondContact O-CB 3.18Å; W265-L269 PolarHBondContact O-N 2.9Å; W265-P317 HydrophobicContact CH2-CB 4.31Å; W265-P317 HydrophobicContact CH2-CG 3.73Å; W265-P317 HydrophobicContact CZ2-CB 4.11Å; W265-P317 VanDerWaalsContact CZ2-CD 3.45Å; W265-P317 HydrophobicContact CZ2-CG 3.4Å; W265-P317 VanDerWaalsContact CZ2-CG 3.4Å; W265-L523 HydrophobicContact CG-CD2 4.29Å; W265-S527 WeakPolarHBondContact O-CB 3.19Å
266	G	90.5	Very high	89.8	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.4	-47.9	170.4	0	0	0	0	0	110.6	C263 K268 L269 L270 V531	C263-G266 WeakPolarHBondContact O-CA 3.4Å; C263-G266 PolarHBondContact O-N 3.21Å; C263-G266 PolarHBondContact SG-N 3.07Å; G266-K268 PolarHBondContact O-N 3.34Å; G266-L269 PolarHBondContact O-N 2.84Å; G266-L270 WeakPolarHBondContact O-CB 3.44Å; G266-L270 PolarHBondContact O-N 2.75Å; G266-V531 WeakPolarHBondContact O-CG2 3.27Å
267	E	90.1	Very high	89.8	Confident	83 Å²	83	40.2 Å²	40.2	39%	0.388	18%	0.183	S	C	.	.	H	α-helix	trans	-58.3	-47.3	174.5	-179.1	173.9	-173.4	0	0	112.5	F255 N259 C261 C263 K264 L269 L270 R271	F255-E267 HydrophobicContact CZ-CG 3.89Å; N259-E267 VanDerWaalsContact ND2-CD 3.3Å; N259-E267 WeakPolarHBondContact ND2-CG 3.45Å; N259-E267 PolarHBondContact ND2-OE1 3.38Å; N259-E267 VanDerWaalsContact ND2-OE1 3.14Å; C261-E267 HydrophobicContact CB-CB 4.36Å; C263-E267 PolarHBondContact O-N 2.55Å; C263-E267 VanDerWaalsContact O-N 3.08Å; K264-E267 PolarHBondContact O-N 3.37Å; E267-L269 VanDerWaalsContact C-N 3.28Å; E267-L269 PolarHBondContact O-N 3.44Å; E267-L270 PolarHBondContact O-N 3.02Å; E267-R271 WeakPolarHBondContact O-CB 3.38Å; E267-R271 PolarHBondContact O-N 2.63Å
268	K	86.9	Confident	89.7	Confident	79 Å²	79	40.1 Å²	40.1	34%	0.343	18%	0.183	S	C	.	.	H	α-helix	trans	-58.5	-41.4	176.3	-172.2	179.9	178.8	-174.3	0	111.4	D67 S69 K264 W265 G266 L272	D67-K268 IonicContact OD1-NZ 3.96Å; D67-K268 IonicContact OD2-NZ 3.93Å; D67-K268 PolarHBondContact OD2-NZ 2.86Å; S69-K268 PolarHBondContact OG-NZ 2.98Å; K264-K268 WeakPolarHBondContact O-CB 3.23Å; K264-K268 PolarHBondContact O-N 2.8Å; W265-K268 HydrophobicContact CE3-CD 4.24Å; W265-K268 HydrophobicContact CZ3-CD 4.05Å; W265-K268 PolarHBondContact O-N 3.41Å; G266-K268 PolarHBondContact O-N 3.34Å; K268-L272 WeakPolarHBondContact O-CB 3.28Å; K268-L272 PolarHBondContact O-N 2.76Å
269	L	90.2	Very high	89.4	Confident	21 Å²	21	42.8 Å²	42.8	11%	0.11	20%	0.195	C	C	.	.	H	α-helix	trans	-70.7	-41.3	178.3	-177.5	65.7	0	0	0	112.5	W265 G266 E267 R271 L272 W273 R528 V531	W265-L269 VanDerWaalsContact O-CB 3.3Å; W265-L269 WeakPolarHBondContact O-CB 3.18Å; W265-L269 PolarHBondContact O-N 2.9Å; G266-L269 PolarHBondContact O-N 2.84Å; E267-L269 VanDerWaalsContact C-N 3.28Å; E267-L269 PolarHBondContact O-N 3.44Å; L269-R271 VanDerWaalsContact C-N 3.27Å; L269-R271 PolarHBondContact O-N 2.88Å; L269-L272 HydrophobicContact CD1-CD2 4.15Å; L269-L272 CarbonylContact O-C 3.41Å; L269-L272 WeakPolarHBondContact O-CA 3.37Å; L269-L272 WeakPolarHBondContact O-CB 3.36Å; L269-L272 PolarHBondContact O-N 2.77Å; L269-L272 VanDerWaalsContact O-N 3.15Å; L269-W273 HydrophobicContact CD2-CZ2 4.08Å; L269-W273 HydrophobicContact CG-CZ2 4.4Å; L269-W273 PolarHBondContact O-N 3.42Å; L269-R528 HydrophobicContact CD2-CB 4.17Å; L269-R528 HydrophobicContact CD2-CG 3.58Å; L269-V531 HydrophobicContact CB-CG2 3.94Å; L269-V531 HydrophobicContact CD2-CG2 4.05Å; L269-V531 HydrophobicContact CG-CG2 4.1Å
270	L	93.8	Very high	89.3	Confident	0 Å²	0	44 Å²	44	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-58.2	-45.5	174.2	178.1	68.4	0	0	0	109.8	F255 N259 G266 E267 L272 W273 F274 V531 L535	F255-L270 HydrophobicContact CD2-CD2 4.03Å; F255-L270 HydrophobicContact CD2-CG 4.05Å; F255-L270 HydrophobicContact CE2-CB 4.1Å; F255-L270 HydrophobicContact CE2-CD2 3.67Å; F255-L270 HydrophobicContact CE2-CG 3.69Å; F255-L270 HydrophobicContact CZ-CD2 4.45Å; N259-L270 HydrophobicContact CB-CD2 3.73Å; G266-L270 WeakPolarHBondContact O-CB 3.44Å; G266-L270 PolarHBondContact O-N 2.75Å; E267-L270 PolarHBondContact O-N 3.02Å; L270-L272 VanDerWaalsContact C-N 3.29Å; L270-L272 PolarHBondContact O-N 3.42Å; L270-W273 PolarHBondContact O-N 3.27Å; L270-W273 VanDerWaalsContact O-N 3.16Å; L270-F274 HydrophobicContact CD1-CD2 3.94Å; L270-F274 HydrophobicContact CD1-CE2 3.36Å; L270-F274 HydrophobicContact CD1-CZ 4.1Å; L270-F274 HydrophobicContact CG-CD2 4.28Å; L270-F274 HydrophobicContact CG-CE2 4Å; L270-F274 VanDerWaalsContact O-CD2 3.24Å; L270-F274 WeakPolarHBondContact O-CD2 3.42Å; L270-F274 PolarHBondContact O-N 2.99Å; L270-V531 HydrophobicContact CB-CG1 4.13Å; L270-V531 HydrophobicContact CB-CG2 3.91Å; L270-V531 HydrophobicContact CD1-CG1 3.75Å; L270-L535 HydrophobicContact CD1-CD2 4.14Å; L270-L535 HydrophobicContact CD1-CG 4.42Å
271	R	89.5	Confident	89.2	Confident	126 Å²	126	44.2 Å²	44.2	48%	0.475	21%	0.207	S	C	.	.	H	α-helix	trans	-61.2	-41.7	177	-163.3	172.8	-161	-145.8	5.7	111.1	F233 F255 E267 L269 F274 T275	F233-R271 HydrophobicContact CE1-CG 3.84Å; F233-R271 HydrophobicContact CZ-CG 4.07Å; F255-R271 HydrophobicContact CE2-CB 3.75Å; F255-R271 HydrophobicContact CE2-CG 4.24Å; F255-R271 HydrophobicContact CZ-CB 3.99Å; F255-R271 HydrophobicContact CZ-CG 4.35Å; E267-R271 WeakPolarHBondContact O-CB 3.38Å; E267-R271 PolarHBondContact O-N 2.63Å; L269-R271 VanDerWaalsContact C-N 3.27Å; L269-R271 PolarHBondContact O-N 2.88Å; R271-F274 PolarHBondContact O-N 3.47Å; R271-T275 WeakPolarHBondContact O-CG2 3.3Å; R271-T275 PolarHBondContact O-N 3.48Å; R271-T275 PolarHBondContact O-OG1 2.87Å
272	L	86.4	Confident	89	Confident	66 Å²	66	45.3 Å²	45.3	35%	0.346	22%	0.223	S	C	.	.	H	α-helix	trans	-61.5	-41.2	174.4	-172.6	68.6	0	0	0	112.4	K268 L269 L270 F274 T275 R276	K268-L272 WeakPolarHBondContact O-CB 3.28Å; K268-L272 PolarHBondContact O-N 2.76Å; L269-L272 HydrophobicContact CD1-CD2 4.15Å; L269-L272 CarbonylContact O-C 3.41Å; L269-L272 WeakPolarHBondContact O-CA 3.37Å; L269-L272 WeakPolarHBondContact O-CB 3.36Å; L269-L272 PolarHBondContact O-N 2.77Å; L269-L272 VanDerWaalsContact O-N 3.15Å; L270-L272 VanDerWaalsContact C-N 3.29Å; L270-L272 PolarHBondContact O-N 3.42Å; L272-F274 VanDerWaalsContact C-N 3.3Å; L272-F274 PolarHBondContact O-N 2.88Å; L272-T275 PolarHBondContact O-N 3.33Å; L272-T275 PolarHBondContact O-OG1 3.43Å; L272-T275 VanDerWaalsContact O-OG1 3.1Å; L272-R276 HydrophobicContact CD1-CG 4.32Å; L272-R276 VanDerWaalsContact O-CB 3.25Å; L272-R276 WeakPolarHBondContact O-CB 3.43Å; L272-R276 PolarHBondContact O-N 2.92Å
273	W	91	Very high	89.1	Confident	19 Å²	19	43.7 Å²	43.7	7%	0.072	22%	0.215	C	C	.	.	H	α-helix	trans	-67	-33.4	176.6	-72.5	5.9	0	0	0	112.3	L269 L270 R276 R287 R528 V531 L532 L535 V614	L269-W273 HydrophobicContact CD2-CZ2 4.08Å; L269-W273 HydrophobicContact CG-CZ2 4.4Å; L269-W273 PolarHBondContact O-N 3.42Å; L270-W273 PolarHBondContact O-N 3.27Å; L270-W273 VanDerWaalsContact O-N 3.16Å; W273-R276 CarbonylContact O-C 3.54Å; W273-R276 PolarHBondContact O-N 2.79Å; W273-R287 HydrophobicContact CH2-CG 4.05Å; W273-R287 HydrophobicContact CZ3-CG 4.18Å; W273-R528 HydrophobicContact CZ2-CG 4.38Å; W273-V531 HydrophobicContact CD2-CG1 4.21Å; W273-V531 HydrophobicContact CE3-CG1 3.46Å; W273-V531 VanDerWaalsContact CE3-CG1 3.46Å; W273-V531 HydrophobicContact CH2-CB 4.33Å; W273-V531 HydrophobicContact CH2-CG1 3.97Å; W273-V531 HydrophobicContact CZ3-CB 4.14Å; W273-V531 HydrophobicContact CZ3-CG1 3.31Å; W273-L532 HydrophobicContact CH2-CD1 4.38Å; W273-L532 HydrophobicContact CH2-CD2 3.88Å; W273-L532 HydrophobicContact CH2-CG 3.95Å; W273-L532 HydrophobicContact CZ3-CD2 3.78Å; W273-L532 HydrophobicContact CZ3-CG 4.2Å; W273-L535 HydrophobicContact CZ3-CD1 4.43Å; W273-V614 HydrophobicContact CB-CG1 4.29Å
274	F	91	Very high	89.3	Confident	1 Å²	1	43.4 Å²	43.4	0%	0.004	21%	0.213	C	C	.	.	H	α-helix	trans	-73.4	-35.1	176.9	-84.3	-137.1	0	0	0	111.8	Y227 I232 F233 L254 F255 L258 L270 R271 L272 R276 F610 V614	Y227-F274 WeakPolarHBondContact CE1-O 3.38Å; Y227-F274 PolarHBondContact OH-O 3.29Å; Y227-F274 VanDerWaalsContact OH-O 3.05Å; I232-F274 HydrophobicContact CG2-CD1 3.76Å; F233-F274 HydrophobicContact CE1-CB 4.08Å; F233-F274 HydrophobicContact CE1-CD1 4.34Å; F233-F274 HydrophobicContact CE2-CB 4.21Å; F233-F274 HydrophobicContact CZ-CB 3.42Å; F233-F274 VanDerWaalsContact CZ-CB 3.42Å; F233-F274 HydrophobicContact CZ-CD1 4.34Å; F233-F274 HydrophobicContact CZ-CG 4.35Å; L254-F274 HydrophobicContact CB-CE1 4.48Å; L254-F274 HydrophobicContact CD2-CE1 4.18Å; L254-F274 HydrophobicContact CG-CE1 4.01Å; F255-F274 VanDerWaalsContact CA-CE1 3.49Å; F255-F274 HydrophobicContact CB-CD1 3.93Å; F255-F274 HydrophobicContact CB-CE1 3.9Å; F255-F274 HydrophobicContact CD2-CD1 4.04Å; F255-F274 HydrophobicContact CD2-CE1 4.21Å; F255-F274 HydrophobicContact CD2-CG 4.32Å; F255-F274 HydrophobicContact CG-CD1 4.49Å; L258-F274 HydrophobicContact CB-CZ 4.04Å; L258-F274 HydrophobicContact CD1-CE1 4.3Å; L258-F274 HydrophobicContact CD1-CE2 4.47Å; L258-F274 HydrophobicContact CD1-CZ 3.56Å; L258-F274 HydrophobicContact CG-CZ 4.38Å; L270-F274 HydrophobicContact CD1-CD2 3.94Å; L270-F274 HydrophobicContact CD1-CE2 3.36Å; L270-F274 HydrophobicContact CD1-CZ 4.1Å; L270-F274 HydrophobicContact CG-CD2 4.28Å; L270-F274 HydrophobicContact CG-CE2 4Å; L270-F274 VanDerWaalsContact O-CD2 3.24Å; L270-F274 WeakPolarHBondContact O-CD2 3.42Å; L270-F274 PolarHBondContact O-N 2.99Å; R271-F274 PolarHBondContact O-N 3.47Å; L272-F274 VanDerWaalsContact C-N 3.3Å; L272-F274 PolarHBondContact O-N 2.88Å; F274-R276 VanDerWaalsContact C-N 3.35Å; F274-F610 HydrophobicContact CB-CZ 4.05Å; F274-F610 AromaticContact CD1-CE1 3.86Å; F274-F610 HydrophobicContact CD1-CE1 3.86Å; F274-F610 HydrophobicContact CD1-CZ 4.11Å; F274-F610 HydrophobicContact CE1-CE1 4.2Å; F274-F610 HydrophobicContact CG-CE1 4.15Å; F274-F610 HydrophobicContact CG-CZ 4.09Å; F274-F610 WeakPolarHBondContact O-CE2 3.4Å; F274-F610 VanDerWaalsContact O-CZ 3.27Å; F274-F610 WeakPolarHBondContact O-CZ 3.36Å; F274-V614 HydrophobicContact CD2-CG1 3.78Å; F274-V614 HydrophobicContact CD2-CG2 4.04Å; F274-V614 HydrophobicContact CE2-CG1 3.66Å; F274-V614 HydrophobicContact CE2-CG2 4.36Å
275	T	85.5	Confident	89.7	Confident	43 Å²	43	40.9 Å²	40.9	26%	0.264	21%	0.208	S	C	.	.	H	α-helix	trans	-79	-21.5	174	57.2	0	0	0	0	112.8	Y227 F233 R271 L272 P277	Y227-T275 WeakPolarHBondContact OH-CA 3.03Å; Y227-T275 PolarHBondContact OH-O 2.76Å; F233-T275 HydrophobicContact CE2-CG2 3.75Å; F233-T275 HydrophobicContact CZ-CG2 3.84Å; R271-T275 WeakPolarHBondContact O-CG2 3.3Å; R271-T275 PolarHBondContact O-N 3.48Å; R271-T275 PolarHBondContact O-OG1 2.87Å; L272-T275 PolarHBondContact O-N 3.33Å; L272-T275 PolarHBondContact O-OG1 3.43Å; L272-T275 VanDerWaalsContact O-OG1 3.1Å; T275-P277 WeakPolarHBondContact O-CD 3.49Å
276	R	86.3	Confident	90	Very high	39 Å²	39	41 Å²	41	15%	0.147	21%	0.214	C	C	.	.	S	Bend	trans	-123.6	62.3	179.5	-56.6	-177.9	-178.1	-169.7	-11.4	112.3	E94 L219 L272 W273 F274	E94-R276 VanDerWaalsContact CD-NE 3.32Å; E94-R276 HydrophobicContact CG-CG 4Å; E94-R276 IonicContact OE1-CZ 3.49Å; E94-R276 IonicContact OE1-NE 2.76Å; E94-R276 PolarHBondContact OE1-NE 2.73Å; E94-R276 IonicContact OE1-NH1 2.79Å; E94-R276 IonicContact OE1-NH2 3Å; E94-R276 PolarHBondContact OE1-NH2 3.33Å; L219-R276 HydrophobicContact CD1-CB 4.22Å; L219-R276 HydrophobicContact CD1-CG 4.29Å; L219-R276 HydrophobicContact CD2-CB 3.83Å; L272-R276 HydrophobicContact CD1-CG 4.32Å; L272-R276 VanDerWaalsContact O-CB 3.25Å; L272-R276 WeakPolarHBondContact O-CB 3.43Å; L272-R276 PolarHBondContact O-N 2.92Å; W273-R276 CarbonylContact O-C 3.54Å; W273-R276 PolarHBondContact O-N 2.79Å; F274-R276 VanDerWaalsContact C-N 3.35Å
277	P	90.6	Very high	90.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.217	C	C	.	.			trans	-60.4	142.7	172.5	20.3	-24.9	0	0	0	109.8	L219 V220 I222 T275 F610 L613	L219-P277 CarbonylContact C-O 3.58Å; L219-P277 WeakPolarHBondContact CA-O 2.98Å; V220-P277 HydrophobicContact CB-CB 4.19Å; V220-P277 HydrophobicContact CB-CG 4.03Å; V220-P277 HydrophobicContact CG2-CB 4.42Å; V220-P277 PolarHBondContact N-O 3.48Å; I222-P277 HydrophobicContact CD1-CG 3.6Å; I222-P277 HydrophobicContact CG1-CG 4.24Å; T275-P277 WeakPolarHBondContact O-CD 3.49Å; P277-F610 HydrophobicContact CB-CE2 4.36Å; P277-F610 HydrophobicContact CG-CD2 4.45Å; P277-F610 HydrophobicContact CG-CE2 4.01Å; P277-L613 HydrophobicContact CB-CB 4.03Å
278	T	90.4	Very high	90.6	Very high	11 Å²	11	37.9 Å²	37.9	7%	0.067	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-116.8	147.1	-174.4	-175.7	0	0	0	0	110.6	H218 D280 E283 L284 L613	H218-T278 CarbonylContact O-C 3.5Å; H218-T278 WeakPolarHBondContact O-CA 3.29Å; H218-T278 PolarHBondContact O-OG1 3.07Å; T278-D280 WeakPolarHBondContact OG1-CB 3.2Å; T278-D280 PolarHBondContact OG1-N 3.49Å; T278-E283 HydrophobicContact CG2-CB 4.5Å; T278-E283 HydrophobicContact CG2-CG 4.19Å; T278-L284 HydrophobicContact CG2-CD2 3.74Å; T278-L284 HydrophobicContact CG2-CG 4.02Å; T278-L613 PolarHBondContact N-O 3.49Å; T278-L613 VanDerWaalsContact O-O 3.06Å
279	H	88.2	Confident	91	Very high	57 Å²	57	37.6 Å²	37.6	26%	0.264	20%	0.201	S	C	.	.			trans	-102.6	9	166.9	65.6	-108.3	0	0	0	112.2	H218 V220 L281	H218-H279 VanDerWaalsContact C-CE1 3.48Å; H218-H279 WeakPolarHBondContact CA-CE1 3.39Å; H218-H279 WeakPolarHBondContact CA-NE2 3.42Å; H218-H279 AromaticContact ND1-CD2 3.93Å; H218-H279 AromaticContact ND1-NE2 3.39Å; H218-H279 PolarHBondContact ND1-NE2 3.42Å; H218-H279 PolarHBondContact O-CE1 3.34Å; H218-H279 PolarHBondContact O-N 3.5Å; H218-H279 PolarHBondContact O-ND1 3.07Å; V220-H279 HydrophobicContact CG2-CB 4.19Å; H279-L281 PolarHBondContact O-N 3.49Å; H279-L281 VanDerWaalsContact O-N 3.14Å
280	D	89.4	Confident	91.3	Very high	67 Å²	67	36.6 Å²	36.6	36%	0.358	20%	0.195	S	C	.	.			trans	-69.6	105	172.2	-175.3	-12.9	0	0	0	110.3	H218 T278 G282 E283 L284	H218-D280 HydrophobicContact CB-CB 4.07Å; T278-D280 WeakPolarHBondContact OG1-CB 3.2Å; T278-D280 PolarHBondContact OG1-N 3.49Å; D280-G282 PolarHBondContact O-N 3.05Å; D280-G282 PolarHBondContact OD1-N 2.81Å; D280-E283 HydrophobicContact CB-CB 4.09Å; D280-E283 PolarHBondContact O-N 2.89Å; D280-L284 VanDerWaalsContact O-CG 3.29Å; D280-L284 WeakPolarHBondContact O-CG 3.31Å; D280-L284 PolarHBondContact O-N 3.28Å
281	L	89.5	Confident	91.4	Very high	62 Å²	62	36.6 Å²	36.6	33%	0.325	20%	0.195	S	C	.	.	H	α-helix	trans	-61.7	-28.6	-178.3	-58.4	-174.8	0	0	0	113.1	H279 L284 S285 Y549	H279-L281 PolarHBondContact O-N 3.49Å; H279-L281 VanDerWaalsContact O-N 3.14Å; L281-L284 HydrophobicContact CD2-CD1 4.45Å; L281-S285 WeakPolarHBondContact O-CB 3.46Å; L281-S285 PolarHBondContact O-N 3.32Å; L281-S285 PolarHBondContact O-OG 2.79Å; L281-Y549 HydrophobicContact CD2-CD1 4.22Å; L281-Y549 HydrophobicContact CD2-CD2 4.37Å; L281-Y549 HydrophobicContact CD2-CG 3.81Å
282	G	90	Very high	91.7	Very high	47 Å²	47	34.2 Å²	34.2	49%	0.485	19%	0.189	S	C	.	.	H	α-helix	trans	-68.9	-48.8	178	0	0	0	0	0	111.2	D280 S285 S286	D280-G282 PolarHBondContact O-N 3.05Å; D280-G282 PolarHBondContact OD1-N 2.81Å; G282-S285 PolarHBondContact O-N 3Å; G282-S286 WeakPolarHBondContact O-CB 3.31Å; G282-S286 PolarHBondContact O-N 2.79Å
283	E	90.8	Very high	92.1	Very high	62 Å²	62	32.3 Å²	32.3	29%	0.29	18%	0.178	S	C	.	.	H	α-helix	trans	-62.6	-46	176.2	-179.7	63.8	-165.7	0	0	111.3	T278 D280 S285 S286 R287	T278-E283 HydrophobicContact CG2-CB 4.5Å; T278-E283 HydrophobicContact CG2-CG 4.19Å; D280-E283 HydrophobicContact CB-CB 4.09Å; D280-E283 PolarHBondContact O-N 2.89Å; E283-S285 PolarHBondContact O-N 2.57Å; E283-S286 PolarHBondContact O-N 2.72Å; E283-R287 WeakPolarHBondContact O-CG 3.22Å; E283-R287 PolarHBondContact O-N 2.82Å; E283-R287 VanDerWaalsContact O-N 3.08Å; E283-R287 IonicContact OE1-CZ 3.68Å; E283-R287 VanDerWaalsContact OE1-CZ 3.28Å; E283-R287 IonicContact OE1-NE 2.75Å; E283-R287 PolarHBondContact OE1-NE 2.96Å; E283-R287 IonicContact OE1-NH2 3.85Å; E283-R287 PolarHBondContact OE1-NH2 3.37Å
284	L	93.1	Very high	92.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.7	-45.7	177.1	-66.7	174.9	0	0	0	111.9	T278 D280 L281 S286 R287 L288 Y549 L613	T278-L284 HydrophobicContact CG2-CD2 3.74Å; T278-L284 HydrophobicContact CG2-CG 4.02Å; D280-L284 VanDerWaalsContact O-CG 3.29Å; D280-L284 WeakPolarHBondContact O-CG 3.31Å; D280-L284 PolarHBondContact O-N 3.28Å; L281-L284 HydrophobicContact CD2-CD1 4.45Å; L284-S286 PolarHBondContact O-N 3.14Å; L284-R287 PolarHBondContact O-N 3.09Å; L284-L288 VanDerWaalsContact O-CG 3.31Å; L284-L288 WeakPolarHBondContact O-CG 3.48Å; L284-L288 PolarHBondContact O-N 3.38Å; L284-Y549 HydrophobicContact CB-CE2 3.74Å; L284-Y549 HydrophobicContact CD1-CD1 4.33Å; L284-Y549 HydrophobicContact CD1-CE1 3.76Å; L284-Y549 HydrophobicContact CD1-CE2 4.21Å; L284-L613 WeakPolarHBondContact CD2-O 3.45Å
285	S	93.4	Very high	92.4	Very high	42 Å²	42	33.1 Å²	33.1	29%	0.294	18%	0.184	S	C	.	.	H	α-helix	trans	-63.4	-42.4	179.1	-60.3	0	0	0	0	111.6	L281 G282 E283 R287 L288 D289	L281-S285 WeakPolarHBondContact O-CB 3.46Å; L281-S285 PolarHBondContact O-N 3.32Å; L281-S285 PolarHBondContact O-OG 2.79Å; G282-S285 PolarHBondContact O-N 3Å; E283-S285 PolarHBondContact O-N 2.57Å; S285-R287 VanDerWaalsContact C-N 3.33Å; S285-R287 PolarHBondContact O-N 2.7Å; S285-L288 PolarHBondContact O-N 2.75Å; S285-D289 PolarHBondContact O-N 3.44Å
286	S	94.4	Very high	92.8	Very high	36 Å²	36	34.4 Å²	34.4	25%	0.252	19%	0.189	S	C	.	.	H	α-helix	trans	-57.4	-44.8	176.3	-177.6	0	0	0	0	112.1	G282 E283 L284 D289 V290	G282-S286 WeakPolarHBondContact O-CB 3.31Å; G282-S286 PolarHBondContact O-N 2.79Å; E283-S286 PolarHBondContact O-N 2.72Å; L284-S286 PolarHBondContact O-N 3.14Å; S286-D289 PolarHBondContact O-N 3.16Å; S286-V290 PolarHBondContact O-N 2.67Å
287	R	95.8	Very high	93	Very high	17 Å²	17	38 Å²	38	6%	0.064	22%	0.217	C	C	.	.	H	α-helix	trans	-62.4	-48.7	175.6	-66.6	173.8	-170.7	-175.9	2.1	111.6	W273 E283 L284 S285 D289 V290 I291 L532 V614	W273-R287 HydrophobicContact CH2-CG 4.05Å; W273-R287 HydrophobicContact CZ3-CG 4.18Å; E283-R287 WeakPolarHBondContact O-CG 3.22Å; E283-R287 PolarHBondContact O-N 2.82Å; E283-R287 VanDerWaalsContact O-N 3.08Å; E283-R287 IonicContact OE1-CZ 3.68Å; E283-R287 VanDerWaalsContact OE1-CZ 3.28Å; E283-R287 IonicContact OE1-NE 2.75Å; E283-R287 PolarHBondContact OE1-NE 2.96Å; E283-R287 IonicContact OE1-NH2 3.85Å; E283-R287 PolarHBondContact OE1-NH2 3.37Å; L284-R287 PolarHBondContact O-N 3.09Å; S285-R287 VanDerWaalsContact C-N 3.33Å; S285-R287 PolarHBondContact O-N 2.7Å; R287-D289 VanDerWaalsContact C-N 3.27Å; R287-D289 PolarHBondContact O-N 3.39Å; R287-V290 PolarHBondContact O-N 3.49Å; R287-I291 WeakPolarHBondContact O-CG1 3.34Å; R287-I291 PolarHBondContact O-N 3.17Å; R287-I291 VanDerWaalsContact O-N 3.11Å; R287-L532 HydrophobicContact CB-CD2 3.65Å; R287-L532 HydrophobicContact CG-CD2 3.95Å; R287-V614 PolarHBondContact NH1-O 2.8Å
288	L	96.4	Very high	93.1	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-63.4	-32.3	-179.1	-67.3	177.7	0	0	0	112.6	L284 S285 I291 Q292 R546 P547 Y549 G615 F617	L284-L288 VanDerWaalsContact O-CG 3.31Å; L284-L288 WeakPolarHBondContact O-CG 3.48Å; L284-L288 PolarHBondContact O-N 3.38Å; S285-L288 PolarHBondContact O-N 2.75Å; L288-I291 PolarHBondContact O-N 2.93Å; L288-Q292 WeakPolarHBondContact O-CB 3.44Å; L288-Q292 PolarHBondContact O-N 3.12Å; L288-R546 VanDerWaalsContact CB-CZ 3.42Å; L288-R546 VanDerWaalsContact CB-NH1 3.33Å; L288-R546 HydrophobicContact CD1-CG 4.19Å; L288-R546 PolarHBondContact O-NH1 2.97Å; L288-P547 HydrophobicContact CD1-CG 3.99Å; L288-P547 HydrophobicContact CD2-CG 4.12Å; L288-Y549 HydrophobicContact CD1-CE2 3.52Å; L288-G615 WeakPolarHBondContact CD2-O 3.41Å; L288-F617 HydrophobicContact CB-CE2 4.34Å; L288-F617 HydrophobicContact CD2-CD2 3.6Å; L288-F617 HydrophobicContact CD2-CE2 3.71Å
289	D	95.7	Very high	93.2	Very high	73 Å²	73	45.7 Å²	45.7	39%	0.39	25%	0.253	S	S	.	.	H	α-helix	trans	-67.3	-40.3	179	-69.7	-10	0	0	0	111.9	S285 S286 R287 F293 R546	S285-D289 PolarHBondContact O-N 3.44Å; S286-D289 PolarHBondContact O-N 3.16Å; R287-D289 VanDerWaalsContact C-N 3.27Å; R287-D289 PolarHBondContact O-N 3.39Å; D289-F293 WeakPolarHBondContact O-CB 3.29Å; D289-F293 PolarHBondContact O-N 3.08Å; D289-R546 IonicContact OD1-CZ 2.75Å; D289-R546 VanDerWaalsContact OD1-CZ 3.26Å; D289-R546 IonicContact OD1-NH1 3.72Å; D289-R546 PolarHBondContact OD1-NH1 3.19Å; D289-R546 IonicContact OD1-NH2 2.73Å; D289-R546 PolarHBondContact OD1-NH2 2.79Å
290	V	95.6	Very high	93.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64.3	-46.2	173.2	179.2	0	0	0	0	110.6	S286 R287 F293 F294 I357 L359 F360 L532	S286-V290 PolarHBondContact O-N 2.67Å; R287-V290 PolarHBondContact O-N 3.49Å; V290-F293 WeakPolarHBondContact O-CB 3.13Å; V290-F293 PolarHBondContact O-N 3.43Å; V290-F294 HydrophobicContact CG1-CD2 3.84Å; V290-F294 HydrophobicContact CG1-CE2 3.74Å; V290-F294 WeakPolarHBondContact O-CD2 3.46Å; V290-F294 PolarHBondContact O-N 3.44Å; V290-F294 VanDerWaalsContact O-N 3.14Å; V290-I357 HydrophobicContact CG2-CG2 3.6Å; V290-L359 HydrophobicContact CG1-CD2 4.4Å; V290-L359 HydrophobicContact CG2-CB 4.26Å; V290-L359 HydrophobicContact CG2-CD2 4.16Å; V290-F360 HydrophobicContact CG1-CE1 4.14Å; V290-F360 HydrophobicContact CG1-CZ 4.14Å; V290-L532 HydrophobicContact CB-CB 4.34Å; V290-L532 HydrophobicContact CB-CD1 3.85Å; V290-L532 HydrophobicContact CG1-CB 3.75Å; V290-L532 HydrophobicContact CG1-CD1 3.82Å; V290-L532 HydrophobicContact CG1-CG 4.36Å; V290-L532 HydrophobicContact CG2-CD1 3.95Å
291	I	96.3	Very high	93.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.4	-48.1	178.9	-66.2	166	0	0	0	110.4	R287 L288 F293 F294 L295 L532 L535 A536 G615 F617	R287-I291 WeakPolarHBondContact O-CG1 3.34Å; R287-I291 PolarHBondContact O-N 3.17Å; R287-I291 VanDerWaalsContact O-N 3.11Å; L288-I291 PolarHBondContact O-N 2.93Å; I291-F293 VanDerWaalsContact C-N 3.25Å; I291-F293 PolarHBondContact O-N 3.35Å; I291-F294 PolarHBondContact O-N 2.78Å; I291-L295 HydrophobicContact CG2-CD1 3.88Å; I291-L295 HydrophobicContact CG2-CG 4.23Å; I291-L295 WeakPolarHBondContact O-CG 3.34Å; I291-L295 PolarHBondContact O-N 3.49Å; I291-L532 HydrophobicContact CD1-CD2 4.06Å; I291-L532 HydrophobicContact CG1-CB 4.46Å; I291-L532 HydrophobicContact CG1-CD2 4.03Å; I291-L535 HydrophobicContact CD1-CB 3.87Å; I291-L535 HydrophobicContact CD1-CD1 4.12Å; I291-L535 HydrophobicContact CG1-CB 4.31Å; I291-A536 HydrophobicContact CB-CB 4.44Å; I291-A536 HydrophobicContact CG2-CB 3.91Å; I291-G615 VanDerWaalsContact CD1-O 3.31Å; I291-G615 WeakPolarHBondContact CD1-O 3.33Å; I291-F617 HydrophobicContact CB-CD2 4.01Å; I291-F617 HydrophobicContact CB-CE2 3.73Å; I291-F617 HydrophobicContact CD1-CD2 4.35Å; I291-F617 HydrophobicContact CG2-CD2 3.35Å; I291-F617 HydrophobicContact CG2-CE2 3.36Å; I291-F617 HydrophobicContact CG2-CG 4.02Å; I291-F617 HydrophobicContact CG2-CZ 4.02Å
292	Q	95.8	Very high	93.6	Very high	75 Å²	75	47.1 Å²	47.1	35%	0.35	26%	0.262	S	S	.	.	H	α-helix	trans	-57.5	-39.6	177.9	-176.8	62.6	67.5	0	0	111.9	L288 L295 F617	L288-Q292 WeakPolarHBondContact O-CB 3.44Å; L288-Q292 PolarHBondContact O-N 3.12Å; Q292-L295 PolarHBondContact O-N 2.96Å; Q292-F617 HydrophobicContact CB-CZ 4.02Å
293	F	95.5	Very high	93.7	Very high	26 Å²	26	45.3 Å²	45.3	11%	0.114	24%	0.242	C	C	.	.	H	α-helix	trans	-62.7	-47.1	177.5	177.9	-96	0	0	0	111.9	D289 V290 I291 L295 L296 N299 L353 P354 I357 F360	D289-F293 WeakPolarHBondContact O-CB 3.29Å; D289-F293 PolarHBondContact O-N 3.08Å; V290-F293 WeakPolarHBondContact O-CB 3.13Å; V290-F293 PolarHBondContact O-N 3.43Å; I291-F293 VanDerWaalsContact C-N 3.25Å; I291-F293 PolarHBondContact O-N 3.35Å; F293-L295 VanDerWaalsContact C-N 3.33Å; F293-L295 PolarHBondContact O-N 2.96Å; F293-L296 WeakPolarHBondContact O-CB 3.28Å; F293-L296 PolarHBondContact O-N 2.99Å; F293-N299 HydrophobicContact CE1-CB 4.29Å; F293-N299 WeakPolarHBondContact CE2-ND2 3.29Å; F293-N299 WeakPolarHBondContact CZ-ND2 3.32Å; F293-N299 PolarHBondContact O-ND2 3.45Å; F293-L353 HydrophobicContact CE1-CD1 4.46Å; F293-L353 HydrophobicContact CE1-CD2 3.85Å; F293-L353 HydrophobicContact CZ-CD2 3.86Å; F293-P354 HydrophobicContact CD2-CG 4.39Å; F293-P354 HydrophobicContact CE2-CG 3.58Å; F293-P354 HydrophobicContact CZ-CG 4.09Å; F293-I357 HydrophobicContact CB-CD1 3.77Å; F293-I357 HydrophobicContact CD2-CD1 4.13Å; F293-I357 HydrophobicContact CG-CD1 3.9Å; F293-F360 AromaticContact CD1-CE2 3.68Å; F293-F360 HydrophobicContact CD1-CE2 3.68Å; F293-F360 AromaticContact CD1-CZ 3.79Å; F293-F360 HydrophobicContact CD1-CZ 3.79Å; F293-F360 AromaticContact CE1-CE2 3.89Å; F293-F360 HydrophobicContact CE1-CE2 3.89Å; F293-F360 HydrophobicContact CE1-CZ 4.19Å; F293-F360 HydrophobicContact CG-CE2 4.15Å; F293-F360 HydrophobicContact CG-CZ 4.48Å
294	F	94.8	Very high	93.8	Very high	3 Å²	3	47 Å²	47	1%	0.013	25%	0.25	C	C	.	.	H	α-helix	trans	-78.3	-14.4	-179.7	-71.3	-60.9	0	0	0	114.5	V290 I291 L296 N299 A303 L306 L353 F360 L529 L533 A536	V290-F294 HydrophobicContact CG1-CD2 3.84Å; V290-F294 HydrophobicContact CG1-CE2 3.74Å; V290-F294 WeakPolarHBondContact O-CD2 3.46Å; V290-F294 PolarHBondContact O-N 3.44Å; V290-F294 VanDerWaalsContact O-N 3.14Å; I291-F294 PolarHBondContact O-N 2.78Å; F294-L296 VanDerWaalsContact C-N 3.26Å; F294-N299 HydrophobicContact CD1-CB 4.49Å; F294-A303 HydrophobicContact CD1-CB 3.82Å; F294-A303 HydrophobicContact CE1-CB 4.4Å; F294-A303 HydrophobicContact CG-CB 4.43Å; F294-L306 HydrophobicContact CE1-CD1 3.7Å; F294-L306 HydrophobicContact CZ-CD1 3.49Å; F294-L306 VanDerWaalsContact CZ-CD1 3.49Å; F294-L353 HydrophobicContact CZ-CD1 4.23Å; F294-F360 HydrophobicContact CD2-CZ 4.39Å; F294-F360 AromaticContact CE2-CE1 3.68Å; F294-F360 HydrophobicContact CE2-CE1 3.68Å; F294-F360 AromaticContact CE2-CZ 3.48Å; F294-F360 HydrophobicContact CE2-CZ 3.48Å; F294-F360 VanDerWaalsContact CE2-CZ 3.48Å; F294-F360 AromaticContact CZ-CE1 3.78Å; F294-F360 HydrophobicContact CZ-CE1 3.78Å; F294-F360 AromaticContact CZ-CZ 3.57Å; F294-F360 HydrophobicContact CZ-CZ 3.57Å; F294-L529 HydrophobicContact CE2-CD1 3.95Å; F294-L529 HydrophobicContact CZ-CD1 4.26Å; F294-L533 HydrophobicContact CB-CD2 4.17Å; F294-L533 HydrophobicContact CD1-CD2 3.72Å; F294-L533 HydrophobicContact CD2-CD2 3.38Å; F294-L533 HydrophobicContact CD2-CG 4.22Å; F294-L533 HydrophobicContact CE1-CD2 3.86Å; F294-L533 HydrophobicContact CE2-CD2 3.51Å; F294-L533 HydrophobicContact CE2-CG 4.12Å; F294-L533 HydrophobicContact CG-CD2 3.49Å; F294-L533 VanDerWaalsContact CG-CD2 3.49Å; F294-L533 HydrophobicContact CZ-CD2 3.76Å; F294-A536 HydrophobicContact CB-CB 4.04Å
295	L	93.1	Very high	93.9	Very high	35 Å²	35	50.5 Å²	50.5	18%	0.183	27%	0.267	C	S	.	.	H	α-helix	trans	-71.8	-18.6	169.7	-77.8	174.7	0	0	0	113.2	I291 Q292 F293 A536 A539 R540 F617	I291-L295 HydrophobicContact CG2-CD1 3.88Å; I291-L295 HydrophobicContact CG2-CG 4.23Å; I291-L295 WeakPolarHBondContact O-CG 3.34Å; I291-L295 PolarHBondContact O-N 3.49Å; Q292-L295 PolarHBondContact O-N 2.96Å; F293-L295 VanDerWaalsContact C-N 3.33Å; F293-L295 PolarHBondContact O-N 2.96Å; L295-A536 VanDerWaalsContact CD2-O 3.3Å; L295-A536 WeakPolarHBondContact CD2-O 3.43Å; L295-A539 HydrophobicContact CD1-CB 4.33Å; L295-A539 HydrophobicContact CD2-CB 4.14Å; L295-R540 HydrophobicContact CD2-CB 3.74Å; L295-F617 HydrophobicContact CD1-CD1 3.51Å; L295-F617 HydrophobicContact CD1-CE1 3.18Å; L295-F617 HydrophobicContact CD1-CE2 4.33Å; L295-F617 HydrophobicContact CD1-CG 4.23Å; L295-F617 HydrophobicContact CD1-CZ 3.64Å
296	L	94.2	Very high	93.9	Very high	70 Å²	70	48.5 Å²	48.5	37%	0.366	25%	0.253	S	S	.	.	S	Bend	trans	-67.3	129.7	177.3	-62.7	174.4	0	0	0	110.5	F293 F294 Q298 N299	F293-L296 WeakPolarHBondContact O-CB 3.28Å; F293-L296 PolarHBondContact O-N 2.99Å; F294-L296 VanDerWaalsContact C-N 3.26Å; L296-Q298 HydrophobicContact CB-CG 4.24Å; L296-Q298 PolarHBondContact O-N 3.44Å; L296-Q298 VanDerWaalsContact O-N 3.09Å; L296-N299 PolarHBondContact O-N 3.18Å
297	P	91.1	Very high	93.8	Very high	114 Å²	114	47.8 Å²	47.8	74%	0.74	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-54.5	-35.2	-176	-29.1	35	0	0	0	114.6	N299 L300	P297-N299 PolarHBondContact O-N 3.02Å; P297-L300 WeakPolarHBondContact O-CB 3.35Å; P297-L300 PolarHBondContact O-N 3.34Å
298	Q	91.9	Very high	93.7	Very high	154 Å²	154	55 Å²	55	72%	0.72	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-66.2	-19.7	179.3	66.7	-174.9	27.7	0	0	114.4	L296	L296-Q298 HydrophobicContact CB-CG 4.24Å; L296-Q298 PolarHBondContact O-N 3.44Å; L296-Q298 VanDerWaalsContact O-N 3.09Å
299	N	92.4	Very high	93.6	Very high	18 Å²	18	56.3 Å²	56.3	10%	0.096	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-99.8	4	-177.3	-65.4	-28.7	0	0	0	112.5	F293 F294 L296 P297 M302 A303	F293-N299 HydrophobicContact CE1-CB 4.29Å; F293-N299 WeakPolarHBondContact CE2-ND2 3.29Å; F293-N299 WeakPolarHBondContact CZ-ND2 3.32Å; F293-N299 PolarHBondContact O-ND2 3.45Å; F294-N299 HydrophobicContact CD1-CB 4.49Å; L296-N299 PolarHBondContact O-N 3.18Å; P297-N299 PolarHBondContact O-N 3.02Å; N299-M302 PolarHBondContact O-N 3.03Å; N299-A303 PolarHBondContact O-N 3.31Å
300	L	91	Very high	93.5	Very high	49 Å²	49	52.8 Å²	52.8	26%	0.257	26%	0.261	S	S	.	.	H	α-helix	trans	-66.9	-43.2	-174	-173.4	140.5	0	0	0	112.4	P297 M302 A303 Q304 R540	P297-L300 WeakPolarHBondContact O-CB 3.35Å; P297-L300 PolarHBondContact O-N 3.34Å; L300-M302 VanDerWaalsContact C-N 3.28Å; L300-M302 PolarHBondContact O-N 3.42Å; L300-A303 WeakPolarHBondContact O-CB 3.34Å; L300-A303 PolarHBondContact O-N 2.9Å; L300-Q304 HydrophobicContact CD2-CG 4.45Å; L300-Q304 WeakPolarHBondContact O-CG 3.35Å; L300-Q304 PolarHBondContact O-N 2.97Å; L300-R540 VanDerWaalsContact CD1-NH1 3.25Å
301	D	92.7	Very high	93.2	Very high	119 Å²	119	53.5 Å²	53.5	64%	0.636	27%	0.269	S	S	*	.	H	α-helix	trans	-63	-38.2	177	-63.3	-31.1	0	0	0	111.2	Q304 M305	D301-Q304 PolarHBondContact O-N 2.98Å; D301-M305 WeakPolarHBondContact O-CB 3.34Å; D301-M305 PolarHBondContact O-N 3.16Å
302	M	92.3	Very high	92.9	Very high	48 Å²	48	58 Å²	58	24%	0.236	29%	0.289	C	S	.	.	H	α-helix	trans	-65.2	-44.5	174	-74.8	-64	-74.5	0	0	111.5	N299 L300 Q304 M305 L306 A349 L353	N299-M302 PolarHBondContact O-N 3.03Å; L300-M302 VanDerWaalsContact C-N 3.28Å; L300-M302 PolarHBondContact O-N 3.42Å; M302-Q304 VanDerWaalsContact C-N 3.33Å; M302-Q304 PolarHBondContact O-N 3.39Å; M302-M305 PolarHBondContact O-N 3.3Å; M302-M305 HydrophobicContact SD-SD 4.49Å; M302-L306 VanDerWaalsContact O-CG 3.28Å; M302-L306 WeakPolarHBondContact O-CG 3.39Å; M302-L306 PolarHBondContact O-N 2.87Å; M302-A349 HydrophobicContact CE-CB 4.19Å; M302-L353 HydrophobicContact CE-CD2 3.86Å; M302-L353 HydrophobicContact CE-CG 4.38Å
303	A	91.8	Very high	92.6	Very high	9 Å²	9	54.5 Å²	54.5	7%	0.074	27%	0.273	C	S	.	.	H	α-helix	trans	-58.6	-44.2	176.1	0	0	0	0	0	111.9	F294 N299 L300 L306 H307 L533	F294-A303 HydrophobicContact CD1-CB 3.82Å; F294-A303 HydrophobicContact CE1-CB 4.4Å; F294-A303 HydrophobicContact CG-CB 4.43Å; N299-A303 PolarHBondContact O-N 3.31Å; L300-A303 WeakPolarHBondContact O-CB 3.34Å; L300-A303 PolarHBondContact O-N 2.9Å; A303-L306 PolarHBondContact O-N 3.1Å; A303-H307 PolarHBondContact O-N 3.47Å; A303-L533 HydrophobicContact CB-CD2 3.8Å
304	Q	92.5	Very high	92.2	Very high	97 Å²	97	57.4 Å²	57.4	45%	0.453	29%	0.286	S	S	.	.	H	α-helix	trans	-65.1	-41	176.5	-70.4	-180	-5.7	0	0	112.3	L300 D301 M302 H307 R308	L300-Q304 HydrophobicContact CD2-CG 4.45Å; L300-Q304 WeakPolarHBondContact O-CG 3.35Å; L300-Q304 PolarHBondContact O-N 2.97Å; D301-Q304 PolarHBondContact O-N 2.98Å; M302-Q304 VanDerWaalsContact C-N 3.33Å; M302-Q304 PolarHBondContact O-N 3.39Å; Q304-H307 PolarHBondContact O-N 3.05Å; Q304-R308 WeakPolarHBondContact O-CG 3.43Å; Q304-R308 PolarHBondContact O-N 3.41Å
305	M	94.7	Very high	91.7	Very high	75 Å²	75	59.1 Å²	59.1	37%	0.369	30%	0.295	S	S	.	.	H	α-helix	trans	-59.7	-46.2	173.7	178.7	178.7	170.1	0	0	111.6	D301 M302 R308 L309	D301-M305 WeakPolarHBondContact O-CB 3.34Å; D301-M305 PolarHBondContact O-N 3.16Å; M302-M305 PolarHBondContact O-N 3.3Å; M302-M305 HydrophobicContact SD-SD 4.49Å; M305-R308 PolarHBondContact O-N 3.25Å; M305-L309 HydrophobicContact CE-CD1 4.25Å; M305-L309 HydrophobicContact CG-CD1 4.39Å; M305-L309 WeakPolarHBondContact O-CG 3.5Å; M305-L309 PolarHBondContact O-N 3.21Å; M305-L309 VanDerWaalsContact O-N 3.12Å
306	L	93.8	Very high	91.4	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-62.6	-45.2	177.7	-67	172.4	0	0	0	111.5	F294 M302 A303 R308 L309 L310 L346 A349 L353 L529 L533	F294-L306 HydrophobicContact CE1-CD1 3.7Å; F294-L306 HydrophobicContact CZ-CD1 3.49Å; F294-L306 VanDerWaalsContact CZ-CD1 3.49Å; M302-L306 VanDerWaalsContact O-CG 3.28Å; M302-L306 WeakPolarHBondContact O-CG 3.39Å; M302-L306 PolarHBondContact O-N 2.87Å; A303-L306 PolarHBondContact O-N 3.1Å; L306-R308 VanDerWaalsContact C-N 3.33Å; L306-R308 PolarHBondContact O-N 2.93Å; L306-L309 PolarHBondContact O-N 3Å; L306-L310 WeakPolarHBondContact O-CB 3.47Å; L306-L310 VanDerWaalsContact O-CG 3.23Å; L306-L310 WeakPolarHBondContact O-CG 3.2Å; L306-L310 PolarHBondContact O-N 2.82Å; L306-L346 HydrophobicContact CB-CD2 4.35Å; L306-L346 HydrophobicContact CD2-CD2 3.52Å; L306-A349 HydrophobicContact CD2-CB 3.7Å; L306-L353 HydrophobicContact CD1-CD1 4.36Å; L306-L529 HydrophobicContact CD1-CD2 4.4Å; L306-L529 HydrophobicContact CD2-CD2 4.43Å; L306-L533 HydrophobicContact CB-CD1 3.78Å; L306-L533 HydrophobicContact CD1-CD1 4.35Å
307	H	93.1	Very high	90.9	Very high	21 Å²	21	54.6 Å²	54.6	10%	0.097	27%	0.272	C	S	.	.	H	α-helix	trans	-57.8	-41.3	174.6	-89.2	-174.1	0	0	0	113.1	H262 A303 Q304 L309 L310 G311 D530 L533	H262-H307 AromaticContact CD2-CD2 3.89Å; H262-H307 AromaticContact CD2-CE1 3.72Å; H262-H307 AromaticContact CD2-CG 3.54Å; H262-H307 AromaticContact CD2-ND1 3.41Å; H262-H307 PolarHBondContact CD2-ND1 2.85Å; H262-H307 AromaticContact NE2-CE1 3.88Å; H262-H307 AromaticContact NE2-CG 3.68Å; H262-H307 AromaticContact NE2-ND1 3.26Å; H262-H307 PolarHBondContact NE2-ND1 3.2Å; A303-H307 PolarHBondContact O-N 3.47Å; Q304-H307 PolarHBondContact O-N 3.05Å; H307-L309 PolarHBondContact O-N 2.84Å; H307-L310 PolarHBondContact O-N 3.42Å; H307-G311 PolarHBondContact O-N 3.32Å; H307-D530 IonicContact CD2-OD1 3.38Å; H307-D530 IonicContact NE2-OD1 2.72Å; H307-L533 WeakPolarHBondContact NE2-CB 3.35Å
308	R	93.2	Very high	90.7	Very high	167 Å²	167	50.3 Å²	50.3	63%	0.63	24%	0.243	S	C	*	.	H	α-helix	trans	-61.4	-44.3	175.5	-72.8	-175	-62	-159	-0.5	111.7	Q304 M305 L306 G311 H312	Q304-R308 WeakPolarHBondContact O-CG 3.43Å; Q304-R308 PolarHBondContact O-N 3.41Å; M305-R308 PolarHBondContact O-N 3.25Å; L306-R308 VanDerWaalsContact C-N 3.33Å; L306-R308 PolarHBondContact O-N 2.93Å; R308-G311 PolarHBondContact O-N 3.28Å; R308-H312 PolarHBondContact O-CD2 3.4Å; R308-H312 VanDerWaalsContact O-CD2 3.3Å
309	L	93.9	Very high	90.4	Very high	29 Å²	29	43.2 Å²	43.2	15%	0.152	21%	0.209	C	C	.	.	H	α-helix	trans	-64.6	-40.4	176	-67.3	170.2	0	0	0	111.9	M305 L306 H307 G311 H312 S342 L346	M305-L309 HydrophobicContact CE-CD1 4.25Å; M305-L309 HydrophobicContact CG-CD1 4.39Å; M305-L309 WeakPolarHBondContact O-CG 3.5Å; M305-L309 PolarHBondContact O-N 3.21Å; M305-L309 VanDerWaalsContact O-N 3.12Å; L306-L309 PolarHBondContact O-N 3Å; H307-L309 PolarHBondContact O-N 2.84Å; L309-G311 VanDerWaalsContact C-N 3.33Å; L309-G311 PolarHBondContact O-N 3.42Å; L309-H312 PolarHBondContact O-N 3.01Å; L309-S342 WeakPolarHBondContact O-CB 3.45Å; L309-L346 HydrophobicContact CB-CD2 3.69Å; L309-L346 HydrophobicContact CB-CG 3.95Å; L309-L346 HydrophobicContact CD1-CD2 3.97Å; L309-L346 HydrophobicContact CD1-CG 4.31Å
310	L	93.2	Very high	90.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.7	-35	176.8	-71.1	163.9	0	0	0	112.2	H262 C263 L306 H307 H312 I313 L346 A526 L529 D530 L533	H262-L310 HydrophobicContact CB-CB 4.49Å; C263-L310 WeakPolarHBondContact CB-O 3.43Å; L306-L310 WeakPolarHBondContact O-CB 3.47Å; L306-L310 VanDerWaalsContact O-CG 3.23Å; L306-L310 WeakPolarHBondContact O-CG 3.2Å; L306-L310 PolarHBondContact O-N 2.82Å; H307-L310 PolarHBondContact O-N 3.42Å; L310-H312 PolarHBondContact O-N 3.35Å; L310-H312 VanDerWaalsContact O-N 3.14Å; L310-I313 HydrophobicContact CD2-CD1 4.16Å; L310-I313 WeakPolarHBondContact O-CB 3.48Å; L310-I313 PolarHBondContact O-N 2.92Å; L310-L346 HydrophobicContact CD2-CD1 3.73Å; L310-L346 HydrophobicContact CD2-CD2 4.45Å; L310-L346 HydrophobicContact CG-CD1 4.28Å; L310-L346 HydrophobicContact CG-CD2 4.21Å; L310-A526 HydrophobicContact CD2-CB 3.79Å; L310-A526 WeakPolarHBondContact CD2-O 3.5Å; L310-L529 HydrophobicContact CD1-CD2 4.42Å; L310-L529 HydrophobicContact CD1-CG 4.3Å; L310-D530 HydrophobicContact CD1-CB 3.87Å; L310-D530 HydrophobicContact CD2-CB 4.28Å; L310-L533 HydrophobicContact CD1-CD1 3.66Å
311	G	90.5	Very high	89.8	Confident	15 Å²	15	40.4 Å²	40.4	16%	0.155	19%	0.194	C	C	.	.	H	α-helix	trans	-60.6	-22.5	176.8	0	0	0	0	0	114.5	H307 R308 L309 K314	H307-G311 PolarHBondContact O-N 3.32Å; R308-G311 PolarHBondContact O-N 3.28Å; L309-G311 VanDerWaalsContact C-N 3.33Å; L309-G311 PolarHBondContact O-N 3.42Å; G311-K314 WeakPolarHBondContact O-CE 3.38Å; G311-K314 PolarHBondContact O-NZ 3.24Å
312	H	89.6	Confident	89.4	Confident	94 Å²	94	36.7 Å²	36.7	44%	0.435	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-9.2	174.8	-62.1	-49.4	0	0	0	113.9	R308 L309 L310 K314 T339 S342	R308-H312 PolarHBondContact O-CD2 3.4Å; R308-H312 VanDerWaalsContact O-CD2 3.3Å; L309-H312 PolarHBondContact O-N 3.01Å; L310-H312 PolarHBondContact O-N 3.35Å; L310-H312 VanDerWaalsContact O-N 3.14Å; H312-K314 PolarHBondContact O-N 2.98Å; H312-T339 PolarHBondContact O-OG1 3.48Å; H312-S342 WeakPolarHBondContact CB-OG 3.41Å
313	I	88.7	Confident	89.1	Confident	2 Å²	2	34.5 Å²	34.5	1%	0.01	16%	0.161	C	C	.	.			trans	-81.6	110.1	175.2	-60	-172.2	0	0	0	108.8	L310 T339 L346 V522 L523 A526	L310-I313 HydrophobicContact CD2-CD1 4.16Å; L310-I313 WeakPolarHBondContact O-CB 3.48Å; L310-I313 PolarHBondContact O-N 2.92Å; I313-T339 HydrophobicContact CB-CG2 4.28Å; I313-T339 HydrophobicContact CG1-CG2 4.22Å; I313-T339 HydrophobicContact CG2-CG2 3.97Å; I313-L346 HydrophobicContact CD1-CD1 3.56Å; I313-V522 HydrophobicContact CD1-CG1 4.41Å; I313-L523 HydrophobicContact CG2-CD2 3.9Å; I313-A526 HydrophobicContact CD1-CB 3.59Å
314	K	87.5	Confident	88.5	Confident	86 Å²	86	36.5 Å²	36.5	37%	0.374	17%	0.168	S	C	.	.			trans	-109.2	-165.1	-176.8	-56.7	-57.3	-168.8	-169.7	0	112.1	G311 H312 V316 V335 T339	G311-K314 WeakPolarHBondContact O-CE 3.38Å; G311-K314 PolarHBondContact O-NZ 3.24Å; H312-K314 PolarHBondContact O-N 2.98Å; K314-V316 VanDerWaalsContact C-N 3.33Å; K314-V316 PolarHBondContact O-N 2.61Å; K314-V335 HydrophobicContact CB-CG1 3.38Å; K314-V335 HydrophobicContact CG-CG1 3.65Å; K314-T339 PolarHBondContact N-OG1 3.41Å
315	N	83.7	Confident	87.9	Confident	40 Å²	40	33.3 Å²	33.3	21%	0.214	15%	0.154	C	C	.	.			trans	-72.9	78.1	-176.8	-165.4	-16.9	0	0	0	113.4	P317 L318 I319	N315-P317 VanDerWaalsContact OD1-CD 3.32Å; N315-P317 WeakPolarHBondContact OD1-CD 3.33Å; N315-L318 HydrophobicContact CB-CB 4.24Å; N315-L318 VanDerWaalsContact CG-CB 3.45Å; N315-L318 WeakPolarHBondContact OD1-CB 3.48Å; N315-L318 PolarHBondContact OD1-N 3.32Å; N315-I319 WeakPolarHBondContact O-CG1 3.3Å; N315-I319 PolarHBondContact O-N 3.46Å
316	V	86.9	Confident	87	Confident	2 Å²	2	32.9 Å²	32.9	1%	0.012	16%	0.158	C	C	.	.	H	α-helix	trans	-64	-38.6	176.1	-178.2	0	0	0	0	113.4	K314 L318 I319 L320 L336 T339 L519 L523	K314-V316 VanDerWaalsContact C-N 3.33Å; K314-V316 PolarHBondContact O-N 2.61Å; V316-L318 VanDerWaalsContact C-N 3.33Å; V316-L318 PolarHBondContact O-N 2.99Å; V316-I319 WeakPolarHBondContact O-CB 3.28Å; V316-I319 PolarHBondContact O-N 3.32Å; V316-I319 VanDerWaalsContact O-N 3.12Å; V316-L320 HydrophobicContact CG1-CD1 3.92Å; V316-L320 HydrophobicContact CG1-CG 4Å; V316-L320 VanDerWaalsContact O-CG 3.32Å; V316-L320 WeakPolarHBondContact O-CG 3.3Å; V316-L320 PolarHBondContact O-N 3Å; V316-L336 HydrophobicContact CG1-CD1 4.21Å; V316-T339 HydrophobicContact CG2-CG2 3.57Å; V316-L519 HydrophobicContact CG1-CB 3.93Å; V316-L519 HydrophobicContact CG1-CD1 4.07Å; V316-L519 HydrophobicContact CG1-CG 4.45Å; V316-L523 HydrophobicContact CB-CD1 4.05Å; V316-L523 HydrophobicContact CB-CD2 4.13Å; V316-L523 HydrophobicContact CB-CG 4.38Å; V316-L523 HydrophobicContact CG2-CD2 4.02Å
317	P	85.1	Confident	86.2	Confident	7 Å²	7	37.4 Å²	37.4	5%	0.045	18%	0.179	C	C	.	.	H	α-helix	trans	-61.3	-39.1	178.7	-29.1	41	0	0	0	113.1	D70 L209 W265 N315 L320 K321 L523	D70-P317 HydrophobicContact CB-CB 4.4Å; L209-P317 HydrophobicContact CD1-CB 4.1Å; W265-P317 HydrophobicContact CH2-CB 4.31Å; W265-P317 HydrophobicContact CH2-CG 3.73Å; W265-P317 HydrophobicContact CZ2-CB 4.11Å; W265-P317 VanDerWaalsContact CZ2-CD 3.45Å; W265-P317 HydrophobicContact CZ2-CG 3.4Å; W265-P317 VanDerWaalsContact CZ2-CG 3.4Å; N315-P317 VanDerWaalsContact OD1-CD 3.32Å; N315-P317 WeakPolarHBondContact OD1-CD 3.33Å; P317-L320 PolarHBondContact O-N 3.31Å; P317-K321 WeakPolarHBondContact O-CB 3.31Å; P317-K321 PolarHBondContact O-N 3.37Å; P317-L523 HydrophobicContact CG-CD1 3.4Å
318	L	85.4	Confident	85.7	Confident	25 Å²	25	37.1 Å²	37.1	13%	0.131	18%	0.179	C	C	.	.	H	α-helix	trans	-63.5	-41.8	173.4	-178.3	63	0	0	0	111.8	N315 V316 K321 R322	N315-L318 HydrophobicContact CB-CB 4.24Å; N315-L318 VanDerWaalsContact CG-CB 3.45Å; N315-L318 WeakPolarHBondContact OD1-CB 3.48Å; N315-L318 PolarHBondContact OD1-N 3.32Å; V316-L318 VanDerWaalsContact C-N 3.33Å; V316-L318 PolarHBondContact O-N 2.99Å; L318-K321 HydrophobicContact CD1-CD 4.42Å; L318-K321 WeakPolarHBondContact O-CB 3.11Å; L318-K321 PolarHBondContact O-N 3.08Å; L318-R322 WeakPolarHBondContact O-CG 3.2Å; L318-R322 PolarHBondContact O-N 3.34Å
319	I	87.2	Confident	85.4	Confident	4 Å²	4	33.7 Å²	33.7	2%	0.021	17%	0.169	C	C	.	.	H	α-helix	trans	-61.6	-46.2	175.4	-65.6	167.2	0	0	0	110.2	N315 V316 K321 R322 M323 D332 V335 L336	N315-I319 WeakPolarHBondContact O-CG1 3.3Å; N315-I319 PolarHBondContact O-N 3.46Å; V316-I319 WeakPolarHBondContact O-CB 3.28Å; V316-I319 PolarHBondContact O-N 3.32Å; V316-I319 VanDerWaalsContact O-N 3.12Å; I319-K321 VanDerWaalsContact C-N 3.32Å; I319-K321 PolarHBondContact O-N 3.32Å; I319-R322 PolarHBondContact O-N 2.84Å; I319-M323 HydrophobicContact CG2-CE 3.7Å; I319-M323 HydrophobicContact CG2-CG 4.34Å; I319-M323 HydrophobicContact CG2-SD 4.11Å; I319-M323 WeakPolarHBondContact O-CB 3.39Å; I319-M323 VanDerWaalsContact O-CG 3.28Å; I319-M323 WeakPolarHBondContact O-CG 3.2Å; I319-M323 PolarHBondContact O-N 2.98Å; I319-D332 HydrophobicContact CG1-CB 4.06Å; I319-D332 HydrophobicContact CG2-CB 4.11Å; I319-V335 HydrophobicContact CD1-CB 4.12Å; I319-V335 HydrophobicContact CD1-CG1 3.71Å; I319-L336 HydrophobicContact CD1-CB 4.43Å; I319-L336 HydrophobicContact CG2-CB 4.46Å; I319-L336 HydrophobicContact CG2-CD2 4.48Å
320	L	86.7	Confident	84.8	Confident	1 Å²	1	33.4 Å²	33.4	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-63.3	-37.9	177.7	-66.4	174	0	0	0	112.2	L209 V316 P317 M323 K324 V512 L513 A516 L519	L209-L320 HydrophobicContact CD1-CB 4.18Å; L209-L320 HydrophobicContact CD2-CB 4.41Å; V316-L320 HydrophobicContact CG1-CD1 3.92Å; V316-L320 HydrophobicContact CG1-CG 4Å; V316-L320 VanDerWaalsContact O-CG 3.32Å; V316-L320 WeakPolarHBondContact O-CG 3.3Å; V316-L320 PolarHBondContact O-N 3Å; P317-L320 PolarHBondContact O-N 3.31Å; L320-M323 HydrophobicContact CD2-SD 4.48Å; L320-M323 PolarHBondContact O-N 2.87Å; L320-K324 PolarHBondContact O-N 2.95Å; L320-V512 HydrophobicContact CD2-CG1 4.32Å; L320-L513 HydrophobicContact CD2-CD2 4.15Å; L320-A516 HydrophobicContact CD1-CB 4.01Å; L320-A516 HydrophobicContact CD2-CB 4.14Å; L320-L519 HydrophobicContact CD2-CD1 3.98Å
321	K	83.1	Confident	84.5	Confident	7 Å²	7	35.6 Å²	35.6	3%	0.03	18%	0.183	C	C	.	.	H	α-helix	trans	-59.4	-50.9	171.9	177.7	-175.9	173.2	-165.7	0	110.6	E46 P207 P317 L318 I319 M323 K324 L325	E46-K321 IonicContact OE1-NZ 3.32Å; E46-K321 PolarHBondContact OE1-NZ 3.01Å; E46-K321 IonicContact OE2-NZ 2.69Å; E46-K321 PolarHBondContact OE2-NZ 3.37Å; P207-K321 HydrophobicContact CB-CG 4.26Å; P207-K321 HydrophobicContact CG-CD 4.18Å; P207-K321 HydrophobicContact CG-CG 3.8Å; P317-K321 WeakPolarHBondContact O-CB 3.31Å; P317-K321 PolarHBondContact O-N 3.37Å; L318-K321 HydrophobicContact CD1-CD 4.42Å; L318-K321 WeakPolarHBondContact O-CB 3.11Å; L318-K321 PolarHBondContact O-N 3.08Å; I319-K321 VanDerWaalsContact C-N 3.32Å; I319-K321 PolarHBondContact O-N 3.32Å; K321-M323 VanDerWaalsContact C-N 3.35Å; K321-M323 PolarHBondContact O-N 3.42Å; K321-K324 PolarHBondContact O-N 3.48Å; K321-L325 HydrophobicContact CG-CD1 4.34Å; K321-L325 WeakPolarHBondContact O-CG 3.46Å; K321-L325 PolarHBondContact O-N 3.48Å; K321-L325 VanDerWaalsContact O-N 3.09Å
322	R	85	Confident	84.4	Confident	41 Å²	41	35.4 Å²	35.4	16%	0.155	18%	0.178	C	C	.	.	H	α-helix	trans	-63.4	-37.3	177.9	-73.5	179.3	178.6	164.1	0.5	112.9	E44 L318 I319 K324 L325 S326 H327 D332	E44-R322 IonicContact OE2-NH2 3.66Å; L318-R322 WeakPolarHBondContact O-CG 3.2Å; L318-R322 PolarHBondContact O-N 3.34Å; I319-R322 PolarHBondContact O-N 2.84Å; R322-K324 VanDerWaalsContact C-N 3.35Å; R322-L325 CarbonylContact O-C 3.58Å; R322-L325 PolarHBondContact O-N 2.9Å; R322-S326 PolarHBondContact O-N 2.96Å; R322-H327 PolarHBondContact O-N 3.39Å; R322-D332 WeakPolarHBondContact CD-OD2 3.45Å; R322-D332 IonicContact NH1-OD1 3.76Å; R322-D332 PolarHBondContact NH1-OD1 3.04Å; R322-D332 VanDerWaalsContact NH1-OD1 3.12Å; R322-D332 IonicContact NH1-OD2 3.44Å
323	M	85.6	Confident	84.4	Confident	3 Å²	3	30.9 Å²	30.9	2%	0.015	16%	0.158	C	C	.	.	H	α-helix	trans	-61.9	-41.7	173.8	-73.3	-178.4	170.8	0	0	111.8	I319 L320 K321 L325 S326 T328 W333 L336 Q509 V512 L513	I319-M323 HydrophobicContact CG2-CE 3.7Å; I319-M323 HydrophobicContact CG2-CG 4.34Å; I319-M323 HydrophobicContact CG2-SD 4.11Å; I319-M323 WeakPolarHBondContact O-CB 3.39Å; I319-M323 VanDerWaalsContact O-CG 3.28Å; I319-M323 WeakPolarHBondContact O-CG 3.2Å; I319-M323 PolarHBondContact O-N 2.98Å; L320-M323 HydrophobicContact CD2-SD 4.48Å; L320-M323 PolarHBondContact O-N 2.87Å; K321-M323 VanDerWaalsContact C-N 3.35Å; K321-M323 PolarHBondContact O-N 3.42Å; M323-L325 VanDerWaalsContact C-N 3.33Å; M323-L325 PolarHBondContact O-N 3.25Å; M323-S326 PolarHBondContact O-N 2.82Å; M323-T328 VanDerWaalsContact CA-OG1 3.27Å; M323-T328 WeakPolarHBondContact CA-OG1 3.26Å; M323-T328 HydrophobicContact CE-CG2 4.11Å; M323-T328 HydrophobicContact CG-CG2 4.11Å; M323-T328 WeakPolarHBondContact CG-OG1 3.5Å; M323-T328 PolarHBondContact N-OG1 3.05Å; M323-W333 HydrophobicContact CE-CD2 4.16Å; M323-W333 HydrophobicContact CE-CE3 3.75Å; M323-W333 HydrophobicContact CE-CH2 3.56Å; M323-W333 HydrophobicContact CE-CZ2 3.99Å; M323-W333 HydrophobicContact CE-CZ3 3.43Å; M323-W333 VanDerWaalsContact CE-CZ3 3.43Å; M323-L336 HydrophobicContact CE-CD2 3.49Å; M323-L336 VanDerWaalsContact CE-CD2 3.49Å; M323-L336 HydrophobicContact SD-CD2 4.35Å; M323-Q509 HydrophobicContact CB-CB 4.47Å; M323-Q509 HydrophobicContact CB-CG 4.27Å; M323-Q509 HydrophobicContact CG-CG 4.11Å; M323-V512 HydrophobicContact SD-CB 4.38Å; M323-V512 HydrophobicContact SD-CG1 3.93Å; M323-L513 HydrophobicContact CB-CD1 4.36Å; M323-L513 HydrophobicContact CB-CD2 4.29Å; M323-L513 HydrophobicContact CB-CG 4.36Å
324	K	79.1	Confident	84.4	Confident	51 Å²	51	33.1 Å²	33.1	22%	0.222	17%	0.168	C	C	.	.	H	α-helix	trans	-64.5	-39.5	175.5	-168.8	-176.3	-167.7	169.3	0	112.2	N151 S153 P207 L320 K321 R322 S326	N151-K324 PolarHBondContact O-NZ 3.29Å; S153-K324 VanDerWaalsContact OG-CD 3.28Å; S153-K324 WeakPolarHBondContact OG-CD 3.38Å; S153-K324 WeakPolarHBondContact OG-CE 3.43Å; S153-K324 PolarHBondContact OG-NZ 3.49Å; P207-K324 HydrophobicContact CB-CD 4.23Å; L320-K324 PolarHBondContact O-N 2.95Å; K321-K324 PolarHBondContact O-N 3.48Å; R322-K324 VanDerWaalsContact C-N 3.35Å; K324-S326 PolarHBondContact O-N 3.44Å
325	L	79.1	Confident	84.6	Confident	29 Å²	29	31.1 Å²	31.1	15%	0.152	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	0.6	178.3	-59.7	177.3	0	0	0	113.1	V197 V204 K321 R322 M323 H327	V197-L325 HydrophobicContact CG1-CD1 4.12Å; V197-L325 HydrophobicContact CG1-CD2 3.88Å; V204-L325 HydrophobicContact CG1-CD2 3.4Å; V204-L325 VanDerWaalsContact CG1-CD2 3.4Å; K321-L325 HydrophobicContact CG-CD1 4.34Å; K321-L325 WeakPolarHBondContact O-CG 3.46Å; K321-L325 PolarHBondContact O-N 3.48Å; K321-L325 VanDerWaalsContact O-N 3.09Å; R322-L325 CarbonylContact O-C 3.58Å; R322-L325 PolarHBondContact O-N 2.9Å; M323-L325 VanDerWaalsContact C-N 3.33Å; M323-L325 PolarHBondContact O-N 3.25Å; L325-H327 PolarHBondContact O-CD2 2.98Å; L325-H327 PolarHBondContact O-N 3.09Å
326	S	75.9	Confident	85	Confident	66 Å²	66	29.2 Å²	29.2	46%	0.462	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	21.8	-174.7	-52.6	0	0	0	0	114.7	R322 M323 K324	R322-S326 PolarHBondContact O-N 2.96Å; M323-S326 PolarHBondContact O-N 2.82Å; K324-S326 PolarHBondContact O-N 3.44Å
327	H	78.4	Confident	85.2	Confident	95 Å²	95	32.6 Å²	32.6	44%	0.44	17%	0.166	S	C	.	.			trans	-101.3	32	179.3	-67.2	-52.4	0	0	0	112.9	E200 R322 L325 K329	E200-H327 IonicContact OE1-CD2 3.96Å; E200-H327 PolarHBondContact OE1-CD2 2.52Å; E200-H327 VanDerWaalsContact OE1-CD2 3.31Å; E200-H327 IonicContact OE1-CE1 3.83Å; E200-H327 IonicContact OE1-NE2 2.72Å; E200-H327 PolarHBondContact OE1-NE2 3.05Å; E200-H327 IonicContact OE2-NE2 2.84Å; E200-H327 PolarHBondContact OE2-NE2 3.28Å; R322-H327 PolarHBondContact O-N 3.39Å; L325-H327 PolarHBondContact O-CD2 2.98Å; L325-H327 PolarHBondContact O-N 3.09Å; H327-K329 PolarHBondContact O-N 2.84Å
328	T	82.9	Confident	85.5	Confident	16 Å²	16	38 Å²	38	10%	0.098	19%	0.188	C	C	.	.			trans	-74.3	127	-174.9	-51.5	0	0	0	0	111	M323 D332 W333 Q509	M323-T328 VanDerWaalsContact CA-OG1 3.27Å; M323-T328 WeakPolarHBondContact CA-OG1 3.26Å; M323-T328 HydrophobicContact CE-CG2 4.11Å; M323-T328 HydrophobicContact CG-CG2 4.11Å; M323-T328 WeakPolarHBondContact CG-OG1 3.5Å; M323-T328 PolarHBondContact N-OG1 3.05Å; T328-D332 HydrophobicContact CG2-CB 3.74Å; T328-W333 HydrophobicContact CG2-CD2 4.37Å; T328-W333 HydrophobicContact CG2-CG 4.45Å; T328-W333 HydrophobicContact CG2-CZ2 4.22Å; T328-Q509 VanDerWaalsContact CB-NE2 3.35Å; T328-Q509 PolarHBondContact OG1-NE2 3.46Å
329	K	85	Confident	85.9	Confident	95 Å²	95	36.9 Å²	36.9	41%	0.413	18%	0.183	S	C	.	.			trans	-83.9	158.2	175.8	-60.1	-178.6	-178.4	179.1	0	110.3	E44 H327 S331 D332	E44-K329 IonicContact OE2-NZ 2.83Å; E44-K329 PolarHBondContact OE2-NZ 3.41Å; H327-K329 PolarHBondContact O-N 2.84Å; K329-S331 PolarHBondContact O-N 2.83Å; K329-D332 PolarHBondContact N-OD2 3.04Å; K329-D332 WeakPolarHBondContact O-CB 3.35Å; K329-D332 PolarHBondContact O-N 2.58Å; K329-D332 VanDerWaalsContact O-N 3.09Å
330	V	83.1	Confident	86.2	Confident	22 Å²	22	36.7 Å²	36.7	13%	0.133	18%	0.182	C	C	.	.	H	α-helix	trans	-58.4	-38.8	173.7	175.7	0	0	0	0	111.2	D332 W333 Q334 R392	V330-D332 VanDerWaalsContact C-N 3.3Å; V330-D332 PolarHBondContact O-N 2.81Å; V330-W333 PolarHBondContact O-N 3.5Å; V330-Q334 PolarHBondContact O-N 3.33Å; V330-R392 VanDerWaalsContact CG2-C 3.49Å
331	S	86.1	Confident	86.5	Confident	46 Å²	46	43.7 Å²	43.7	32%	0.322	21%	0.209	S	C	.	.	H	α-helix	trans	-62.2	-35	175.8	53.3	0	0	0	0	112.8	K329 W333 Q334 V335	K329-S331 PolarHBondContact O-N 2.83Å; S331-W333 VanDerWaalsContact C-N 3.29Å; S331-W333 PolarHBondContact O-N 3.33Å; S331-Q334 PolarHBondContact O-N 3.23Å; S331-V335 WeakPolarHBondContact O-CB 3.31Å; S331-V335 VanDerWaalsContact O-CG2 3.27Å; S331-V335 WeakPolarHBondContact O-CG2 3.47Å; S331-V335 PolarHBondContact O-N 2.94Å
332	D	89	Confident	87	Confident	11 Å²	11	43.6 Å²	43.6	6%	0.059	21%	0.209	C	C	.	.	H	α-helix	trans	-61.5	-39.1	178.1	-64.9	-31.6	0	0	0	110.9	I319 R322 T328 K329 V330 V335 L336	I319-D332 HydrophobicContact CG1-CB 4.06Å; I319-D332 HydrophobicContact CG2-CB 4.11Å; R322-D332 WeakPolarHBondContact CD-OD2 3.45Å; R322-D332 IonicContact NH1-OD1 3.76Å; R322-D332 PolarHBondContact NH1-OD1 3.04Å; R322-D332 VanDerWaalsContact NH1-OD1 3.12Å; R322-D332 IonicContact NH1-OD2 3.44Å; T328-D332 HydrophobicContact CG2-CB 3.74Å; K329-D332 PolarHBondContact N-OD2 3.04Å; K329-D332 WeakPolarHBondContact O-CB 3.35Å; K329-D332 PolarHBondContact O-N 2.58Å; K329-D332 VanDerWaalsContact O-N 3.09Å; V330-D332 VanDerWaalsContact C-N 3.3Å; V330-D332 PolarHBondContact O-N 2.81Å; D332-V335 PolarHBondContact O-N 3.05Å; D332-L336 VanDerWaalsContact O-CB 3.23Å; D332-L336 WeakPolarHBondContact O-CB 3.44Å; D332-L336 PolarHBondContact O-N 3.2Å
333	W	88.9	Confident	87.4	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-66	-42.1	176	-69.1	109.6	0	0	0	112.6	M323 T328 V330 S331 L336 Y337 I378 V382 F384 F393 M505 L508 Q509 V512	M323-W333 HydrophobicContact CE-CD2 4.16Å; M323-W333 HydrophobicContact CE-CE3 3.75Å; M323-W333 HydrophobicContact CE-CH2 3.56Å; M323-W333 HydrophobicContact CE-CZ2 3.99Å; M323-W333 HydrophobicContact CE-CZ3 3.43Å; M323-W333 VanDerWaalsContact CE-CZ3 3.43Å; T328-W333 HydrophobicContact CG2-CD2 4.37Å; T328-W333 HydrophobicContact CG2-CG 4.45Å; T328-W333 HydrophobicContact CG2-CZ2 4.22Å; V330-W333 PolarHBondContact O-N 3.5Å; S331-W333 VanDerWaalsContact C-N 3.29Å; S331-W333 PolarHBondContact O-N 3.33Å; W333-L336 PolarHBondContact O-N 3.1Å; W333-Y337 VanDerWaalsContact O-CB 3.31Å; W333-Y337 WeakPolarHBondContact O-CB 3.47Å; W333-Y337 PolarHBondContact O-N 3.34Å; W333-I378 HydrophobicContact CE3-CD1 4.25Å; W333-I378 HydrophobicContact CE3-CG1 4.14Å; W333-I378 HydrophobicContact CE3-CG2 4.41Å; W333-I378 HydrophobicContact CZ3-CD1 4.36Å; W333-I378 HydrophobicContact CZ3-CG1 4.14Å; W333-V382 HydrophobicContact CB-CG1 4.44Å; W333-F384 HydrophobicContact CB-CE1 4.07Å; W333-F393 AromaticContact CD1-CD2 3.79Å; W333-F393 HydrophobicContact CD2-CE2 4.41Å; W333-F393 AromaticContact CE2-CE2 3.96Å; W333-F393 HydrophobicContact CG-CE2 4.44Å; W333-F393 HydrophobicContact CZ2-CE2 4.47Å; W333-F393 AromaticContact NE1-CD2 3.56Å; W333-F393 AromaticContact NE1-CE2 3.67Å; W333-M505 HydrophobicContact CZ2-CG 3.87Å; W333-L508 HydrophobicContact CE3-CD2 4.05Å; W333-L508 HydrophobicContact CH2-CB 4.1Å; W333-L508 HydrophobicContact CH2-CD2 3.57Å; W333-L508 HydrophobicContact CH2-CG 3.56Å; W333-L508 HydrophobicContact CZ2-CD2 4.14Å; W333-L508 HydrophobicContact CZ2-CG 4.44Å; W333-L508 HydrophobicContact CZ3-CD2 3.52Å; W333-L508 HydrophobicContact CZ3-CG 3.69Å; W333-Q509 HydrophobicContact CH2-CG 3.77Å; W333-Q509 HydrophobicContact CZ2-CG 3.6Å; W333-V512 HydrophobicContact CZ3-CG2 4.23Å
334	Q	89.1	Confident	87.8	Confident	48 Å²	48	42 Å²	42	22%	0.224	21%	0.205	C	C	.	.	H	α-helix	trans	-63.7	-45.2	176.6	-70.1	178.8	-0.6	0	0	111.1	V330 S331 Y337 K338 F384	V330-Q334 PolarHBondContact O-N 3.33Å; S331-Q334 PolarHBondContact O-N 3.23Å; Q334-Y337 PolarHBondContact O-N 2.91Å; Q334-K338 WeakPolarHBondContact O-CB 3.37Å; Q334-K338 WeakPolarHBondContact O-CG 3.25Å; Q334-K338 PolarHBondContact O-N 3.33Å; Q334-F384 HydrophobicContact CB-CD1 4.34Å; Q334-F384 HydrophobicContact CB-CE1 4.28Å; Q334-F384 HydrophobicContact CG-CB 4.43Å; Q334-F384 HydrophobicContact CG-CD1 3.27Å; Q334-F384 HydrophobicContact CG-CE1 3.66Å; Q334-F384 HydrophobicContact CG-CG 4.07Å
335	V	90.9	Very high	88.5	Confident	44 Å²	44	40.6 Å²	40.6	27%	0.267	20%	0.204	S	C	.	.	H	α-helix	trans	-64.4	-44.1	178.5	171	0	0	0	0	111	K314 I319 S331 D332 K338 T339	K314-V335 HydrophobicContact CB-CG1 3.38Å; K314-V335 HydrophobicContact CG-CG1 3.65Å; I319-V335 HydrophobicContact CD1-CB 4.12Å; I319-V335 HydrophobicContact CD1-CG1 3.71Å; S331-V335 WeakPolarHBondContact O-CB 3.31Å; S331-V335 VanDerWaalsContact O-CG2 3.27Å; S331-V335 WeakPolarHBondContact O-CG2 3.47Å; S331-V335 PolarHBondContact O-N 2.94Å; D332-V335 PolarHBondContact O-N 3.05Å; V335-K338 PolarHBondContact O-N 3.27Å; V335-T339 VanDerWaalsContact O-CB 3.31Å; V335-T339 WeakPolarHBondContact O-CB 3.43Å; V335-T339 PolarHBondContact O-N 3.33Å; V335-T339 PolarHBondContact O-OG1 2.81Å
336	L	92	Very high	89.2	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.9	-45.9	176.7	-178.8	63	0	0	0	111.2	V316 I319 M323 D332 W333 K338 T339 V340 I378 V512 L519	V316-L336 HydrophobicContact CG1-CD1 4.21Å; I319-L336 HydrophobicContact CD1-CB 4.43Å; I319-L336 HydrophobicContact CG2-CB 4.46Å; I319-L336 HydrophobicContact CG2-CD2 4.48Å; M323-L336 HydrophobicContact CE-CD2 3.49Å; M323-L336 VanDerWaalsContact CE-CD2 3.49Å; M323-L336 HydrophobicContact SD-CD2 4.35Å; D332-L336 VanDerWaalsContact O-CB 3.23Å; D332-L336 WeakPolarHBondContact O-CB 3.44Å; D332-L336 PolarHBondContact O-N 3.2Å; W333-L336 PolarHBondContact O-N 3.1Å; L336-K338 PolarHBondContact O-N 2.96Å; L336-T339 PolarHBondContact O-N 3.5Å; L336-V340 HydrophobicContact CD1-CG2 4.08Å; L336-V340 HydrophobicContact CG-CG2 4.38Å; L336-V340 VanDerWaalsContact O-CG2 3.3Å; L336-V340 WeakPolarHBondContact O-CG2 3.47Å; L336-V340 PolarHBondContact O-N 3.02Å; L336-I378 HydrophobicContact CD2-CD1 3.7Å; L336-I378 HydrophobicContact CG-CD1 3.93Å; L336-V512 HydrophobicContact CD2-CG1 3.89Å; L336-L519 HydrophobicContact CD1-CD1 4.11Å; L336-L519 HydrophobicContact CD1-CD2 4.39Å
337	Y	92.1	Very high	90.1	Very high	73 Å²	73	36.6 Å²	36.6	29%	0.286	18%	0.177	S	C	.	.	H	α-helix	trans	-59.1	-49	177.7	-178.6	-105.7	0	0	0	111.9	W333 Q334 T339 V340 Y341 A375 I378 F384	W333-Y337 VanDerWaalsContact O-CB 3.31Å; W333-Y337 WeakPolarHBondContact O-CB 3.47Å; W333-Y337 PolarHBondContact O-N 3.34Å; Q334-Y337 PolarHBondContact O-N 2.91Å; Y337-T339 VanDerWaalsContact C-N 3.32Å; Y337-T339 PolarHBondContact O-N 3.29Å; Y337-V340 PolarHBondContact O-N 3.09Å; Y337-Y341 WeakPolarHBondContact O-CB 3.29Å; Y337-Y341 PolarHBondContact O-N 3.15Å; Y337-A375 HydrophobicContact CE2-CB 4.39Å; Y337-A375 WeakPolarHBondContact CE2-O 3.46Å; Y337-I378 HydrophobicContact CD2-CB 4.09Å; Y337-I378 HydrophobicContact CD2-CG2 3.96Å; Y337-I378 HydrophobicContact CG-CG2 4.3Å; Y337-F384 HydrophobicContact CD1-CE2 4.13Å; Y337-F384 HydrophobicContact CD1-CZ 4.21Å; Y337-F384 HydrophobicContact CG-CE2 4.2Å; Y337-F384 AromaticContact CG-CZ 3.93Å; Y337-F384 HydrophobicContact CG-CZ 3.93Å
338	K	91.7	Very high	90.8	Very high	120 Å²	120	35.9 Å²	35.9	52%	0.522	18%	0.177	S	C	.	.	H	α-helix	trans	-60.3	-41.1	175.8	-72.6	178.4	-177.3	178.6	0	111.9	Q334 V335 L336 S342	Q334-K338 WeakPolarHBondContact O-CB 3.37Å; Q334-K338 WeakPolarHBondContact O-CG 3.25Å; Q334-K338 PolarHBondContact O-N 3.33Å; V335-K338 PolarHBondContact O-N 3.27Å; L336-K338 PolarHBondContact O-N 2.96Å; K338-S342 VanDerWaalsContact O-CB 3.26Å; K338-S342 WeakPolarHBondContact O-CB 3.29Å; K338-S342 PolarHBondContact O-N 3.32Å; K338-S342 PolarHBondContact O-OG 3.38Å
339	T	93	Very high	91.3	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.012	18%	0.175	C	C	.	.	H	α-helix	trans	-63.3	-48.1	178	-62.7	0	0	0	0	111.3	H312 I313 K314 V316 V335 L336 Y337 S342 A343	H312-T339 PolarHBondContact O-OG1 3.48Å; I313-T339 HydrophobicContact CB-CG2 4.28Å; I313-T339 HydrophobicContact CG1-CG2 4.22Å; I313-T339 HydrophobicContact CG2-CG2 3.97Å; K314-T339 PolarHBondContact N-OG1 3.41Å; V316-T339 HydrophobicContact CG2-CG2 3.57Å; V335-T339 VanDerWaalsContact O-CB 3.31Å; V335-T339 WeakPolarHBondContact O-CB 3.43Å; V335-T339 PolarHBondContact O-N 3.33Å; V335-T339 PolarHBondContact O-OG1 2.81Å; L336-T339 PolarHBondContact O-N 3.5Å; Y337-T339 VanDerWaalsContact C-N 3.32Å; Y337-T339 PolarHBondContact O-N 3.29Å; T339-S342 PolarHBondContact O-N 3.37Å; T339-A343 WeakPolarHBondContact O-CB 3.22Å; T339-A343 PolarHBondContact O-N 2.8Å
340	V	93.8	Very high	91.6	Very high	1 Å²	1	31 Å²	31	1%	0.006	16%	0.155	C	C	.	.	H	α-helix	trans	-65.5	-45.5	179.8	176.3	0	0	0	0	110.6	L336 Y337 S342 A343 L344 L371 I374 A375 L519	L336-V340 HydrophobicContact CD1-CG2 4.08Å; L336-V340 HydrophobicContact CG-CG2 4.38Å; L336-V340 VanDerWaalsContact O-CG2 3.3Å; L336-V340 WeakPolarHBondContact O-CG2 3.47Å; L336-V340 PolarHBondContact O-N 3.02Å; Y337-V340 PolarHBondContact O-N 3.09Å; V340-S342 VanDerWaalsContact C-N 3.3Å; V340-S342 PolarHBondContact O-N 3.38Å; V340-A343 WeakPolarHBondContact O-CB 3.39Å; V340-A343 PolarHBondContact O-N 3.49Å; V340-L344 WeakPolarHBondContact O-CG 3.23Å; V340-L344 PolarHBondContact O-N 2.94Å; V340-L371 HydrophobicContact CG1-CB 4.05Å; V340-L371 HydrophobicContact CG1-CD2 4.14Å; V340-L371 WeakPolarHBondContact CG1-O 3.49Å; V340-I374 HydrophobicContact CG1-CB 4.36Å; V340-I374 HydrophobicContact CG1-CG2 4.35Å; V340-I374 HydrophobicContact CG2-CG2 3.92Å; V340-A375 HydrophobicContact CG1-CB 3.83Å; V340-L519 HydrophobicContact CG2-CD2 3.71Å
341	Y	92.8	Very high	92.1	Very high	147 Å²	147	35.6 Å²	35.6	58%	0.576	17%	0.17	S	C	*	.	H	α-helix	trans	-60.8	-41.4	177.1	-169.4	-94.7	0	0	0	111.9	Y337 L344 G345	Y337-Y341 WeakPolarHBondContact O-CB 3.29Å; Y337-Y341 PolarHBondContact O-N 3.15Å; Y341-L344 WeakPolarHBondContact O-CB 3.22Å; Y341-L344 PolarHBondContact O-N 3.19Å; Y341-G345 PolarHBondContact O-N 3.01Å
342	S	93.8	Very high	92.3	Very high	5 Å²	5	37.5 Å²	37.5	4%	0.035	18%	0.183	C	C	.	.	H	α-helix	trans	-67.4	-36.7	176.4	-56.6	0	0	0	0	111.9	L309 H312 K338 T339 V340 L344 G345 L346	L309-S342 WeakPolarHBondContact O-CB 3.45Å; H312-S342 WeakPolarHBondContact CB-OG 3.41Å; K338-S342 VanDerWaalsContact O-CB 3.26Å; K338-S342 WeakPolarHBondContact O-CB 3.29Å; K338-S342 PolarHBondContact O-N 3.32Å; K338-S342 PolarHBondContact O-OG 3.38Å; T339-S342 PolarHBondContact O-N 3.37Å; V340-S342 VanDerWaalsContact C-N 3.3Å; V340-S342 PolarHBondContact O-N 3.38Å; S342-L344 VanDerWaalsContact C-N 3.32Å; S342-L344 PolarHBondContact O-N 3.14Å; S342-G345 CarbonylContact O-C 3.52Å; S342-G345 PolarHBondContact O-N 2.97Å; S342-L346 WeakPolarHBondContact O-CG 3.37Å; S342-L346 PolarHBondContact O-N 3.31Å
343	A	94	Very high	92.4	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.008	18%	0.183	C	C	.	.	H	α-helix	trans	-61.5	-39.3	171.9	0	0	0	0	0	111.8	T339 V340 L346 R347 F367 L371 V522	T339-A343 WeakPolarHBondContact O-CB 3.22Å; T339-A343 PolarHBondContact O-N 2.8Å; V340-A343 WeakPolarHBondContact O-CB 3.39Å; V340-A343 PolarHBondContact O-N 3.49Å; A343-L346 WeakPolarHBondContact O-CB 3.39Å; A343-L346 PolarHBondContact O-N 2.92Å; A343-R347 PolarHBondContact O-N 3.47Å; A343-F367 HydrophobicContact CB-CD2 4.26Å; A343-F367 HydrophobicContact CB-CE2 4.11Å; A343-F367 VanDerWaalsContact O-CD2 3.29Å; A343-F367 WeakPolarHBondContact O-CD2 3.14Å; A343-L371 HydrophobicContact CB-CD1 4.21Å; A343-V522 HydrophobicContact CB-CG1 3.63Å; A343-V522 HydrophobicContact CB-CG2 4.17Å
344	L	93.9	Very high	92.5	Very high	11 Å²	11	40.1 Å²	40.1	6%	0.058	20%	0.2	C	C	.	.	H	α-helix	trans	-63.3	-42.3	172.6	-63.3	177.5	0	0	0	111.8	V340 Y341 S342 L346 R347 D348 L371 H372 A375	V340-L344 WeakPolarHBondContact O-CG 3.23Å; V340-L344 PolarHBondContact O-N 2.94Å; Y341-L344 WeakPolarHBondContact O-CB 3.22Å; Y341-L344 PolarHBondContact O-N 3.19Å; S342-L344 VanDerWaalsContact C-N 3.32Å; S342-L344 PolarHBondContact O-N 3.14Å; L344-L346 VanDerWaalsContact C-N 3.32Å; L344-L346 PolarHBondContact O-N 3.29Å; L344-R347 WeakPolarHBondContact O-CB 3.42Å; L344-R347 PolarHBondContact O-N 3.26Å; L344-D348 PolarHBondContact O-N 3.45Å; L344-L371 HydrophobicContact CD2-CB 3.4Å; L344-L371 VanDerWaalsContact CD2-CB 3.4Å; L344-L371 HydrophobicContact CD2-CD1 4.16Å; L344-L371 HydrophobicContact CD2-CG 4.45Å; L344-L371 HydrophobicContact CG-CB 4.17Å; L344-H372 WeakPolarHBondContact CD2-CE1 3.32Å; L344-H372 WeakPolarHBondContact CD2-ND1 3.44Å; L344-A375 HydrophobicContact CD1-CB 4.22Å
345	G	93.2	Very high	92.5	Very high	21 Å²	21	41.3 Å²	41.3	22%	0.216	21%	0.206	C	C	.	.	H	α-helix	trans	-58.9	-41.8	172.1	0	0	0	0	0	112.8	Y341 S342 D348 A349	Y341-G345 PolarHBondContact O-N 3.01Å; S342-G345 CarbonylContact O-C 3.52Å; S342-G345 PolarHBondContact O-N 2.97Å; G345-D348 PolarHBondContact O-N 3.38Å; G345-A349 VanDerWaalsContact O-CB 3.31Å; G345-A349 WeakPolarHBondContact O-CB 3.35Å; G345-A349 PolarHBondContact O-N 3.16Å
346	L	93.8	Very high	92.5	Very high	1 Å²	1	44 Å²	44	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-64.1	-41.6	175.5	-71.3	176.4	0	0	0	111.7	L306 L309 L310 I313 S342 A343 L344 A349 C350 F367 A526 L529	L306-L346 HydrophobicContact CB-CD2 4.35Å; L306-L346 HydrophobicContact CD2-CD2 3.52Å; L309-L346 HydrophobicContact CB-CD2 3.69Å; L309-L346 HydrophobicContact CB-CG 3.95Å; L309-L346 HydrophobicContact CD1-CD2 3.97Å; L309-L346 HydrophobicContact CD1-CG 4.31Å; L310-L346 HydrophobicContact CD2-CD1 3.73Å; L310-L346 HydrophobicContact CD2-CD2 4.45Å; L310-L346 HydrophobicContact CG-CD1 4.28Å; L310-L346 HydrophobicContact CG-CD2 4.21Å; I313-L346 HydrophobicContact CD1-CD1 3.56Å; S342-L346 WeakPolarHBondContact O-CG 3.37Å; S342-L346 PolarHBondContact O-N 3.31Å; A343-L346 WeakPolarHBondContact O-CB 3.39Å; A343-L346 PolarHBondContact O-N 2.92Å; L344-L346 VanDerWaalsContact C-N 3.32Å; L344-L346 PolarHBondContact O-N 3.29Å; L346-A349 PolarHBondContact O-N 3.31Å; L346-C350 VanDerWaalsContact O-CB 3.28Å; L346-C350 WeakPolarHBondContact O-CB 3.36Å; L346-C350 PolarHBondContact O-N 3.11Å; L346-C350 PolarHBondContact O-SG 3.39Å; L346-F367 HydrophobicContact CB-CE2 4.2Å; L346-A526 HydrophobicContact CD1-CB 4.39Å; L346-L529 HydrophobicContact CD2-CD2 4.31Å
347	R	94.2	Very high	92.6	Very high	10 Å²	10	45 Å²	45	4%	0.038	23%	0.232	C	C	.	.	H	α-helix	trans	-58.1	-50.7	176	-177.4	-175.2	76.5	164.4	12.5	111.1	A343 L344 C350 R351 F367 D369 H372	A343-R347 PolarHBondContact O-N 3.47Å; L344-R347 WeakPolarHBondContact O-CB 3.42Å; L344-R347 PolarHBondContact O-N 3.26Å; R347-C350 PolarHBondContact O-N 3.3Å; R347-R351 WeakPolarHBondContact O-CG 3.3Å; R347-R351 PolarHBondContact O-N 3.24Å; R347-F367 HydrophobicContact CB-CB 3.93Å; R347-F367 HydrophobicContact CB-CD2 4Å; R347-F367 HydrophobicContact CB-CG 4.44Å; R347-F367 WeakPolarHBondContact CD-O 3.32Å; R347-F367 HydrophobicContact CG-CB 3.89Å; R347-F367 PolarHBondContact NH1-O 2.78Å; R347-D369 IonicContact CZ-OD1 2.81Å; R347-D369 IonicContact NH1-OD1 3.08Å; R347-D369 PolarHBondContact NH1-OD1 3.47Å; R347-D369 IonicContact NH2-OD1 3.28Å; R347-H372 VanDerWaalsContact CZ-CE1 3.43Å; R347-H372 PolarHBondContact NH1-ND1 2.98Å; R347-H372 PolarHBondContact NH2-CE1 2.86Å; R347-H372 PolarHBondContact NH2-ND1 3.38Å
348	D	93.4	Very high	92.6	Very high	80 Å²	80	46.4 Å²	46.4	43%	0.428	24%	0.241	S	C	.	.	H	α-helix	trans	-69.8	-37	-176.3	-65.3	-21.1	0	0	0	111.3	L344 G345 R351 S352	L344-D348 PolarHBondContact O-N 3.45Å; G345-D348 PolarHBondContact O-N 3.38Å; D348-R351 PolarHBondContact O-N 2.96Å; D348-R351 IonicContact OD1-NH1 2.84Å; D348-R351 PolarHBondContact OD1-NH1 3.49Å; D348-S352 PolarHBondContact O-N 3.42Å
349	A	92.8	Very high	92.6	Very high	7 Å²	7	41.4 Å²	41.4	6%	0.058	22%	0.22	C	C	.	.	H	α-helix	trans	-61.2	-48	170.2	0	0	0	0	0	111.6	M302 L306 G345 L346 R351 S352 L353	M302-A349 HydrophobicContact CE-CB 4.19Å; L306-A349 HydrophobicContact CD2-CB 3.7Å; G345-A349 VanDerWaalsContact O-CB 3.31Å; G345-A349 WeakPolarHBondContact O-CB 3.35Å; G345-A349 PolarHBondContact O-N 3.16Å; L346-A349 PolarHBondContact O-N 3.31Å; A349-R351 VanDerWaalsContact C-N 3.3Å; A349-R351 PolarHBondContact O-N 3.1Å; A349-S352 WeakPolarHBondContact O-CB 3.34Å; A349-S352 PolarHBondContact O-N 2.91Å; A349-S352 PolarHBondContact O-OG 3.47Å; A349-L353 PolarHBondContact O-N 3.08Å
350	C	92.5	Very high	92.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-66.9	-27.7	-179.2	-69.7	0	0	0	0	113.4	L346 R347 S352 L353 Q355 I363	L346-C350 VanDerWaalsContact O-CB 3.28Å; L346-C350 WeakPolarHBondContact O-CB 3.36Å; L346-C350 PolarHBondContact O-N 3.11Å; L346-C350 PolarHBondContact O-SG 3.39Å; R347-C350 PolarHBondContact O-N 3.3Å; C350-S352 VanDerWaalsContact C-N 3.26Å; C350-S352 PolarHBondContact O-N 2.78Å; C350-L353 PolarHBondContact O-N 2.78Å; C350-Q355 PolarHBondContact O-NE2 2.78Å; C350-I363 HydrophobicContact CB-CB 4.17Å; C350-I363 HydrophobicContact CB-CG2 3.81Å
351	R	92.2	Very high	92.7	Very high	119 Å²	119	44.9 Å²	44.9	45%	0.449	23%	0.233	S	C	.	.	H	α-helix	trans	-64.1	-31.2	171.3	-78.3	173.3	179.3	169.3	-6.2	112.8	R347 D348 A349 L353 A364	R347-R351 WeakPolarHBondContact O-CG 3.3Å; R347-R351 PolarHBondContact O-N 3.24Å; D348-R351 PolarHBondContact O-N 2.96Å; D348-R351 IonicContact OD1-NH1 2.84Å; D348-R351 PolarHBondContact OD1-NH1 3.49Å; A349-R351 VanDerWaalsContact C-N 3.3Å; A349-R351 PolarHBondContact O-N 3.1Å; R351-L353 VanDerWaalsContact C-N 3.29Å; R351-A364 HydrophobicContact CG-CB 3.73Å
352	S	90.6	Very high	92.8	Very high	86 Å²	86	39.7 Å²	39.7	60%	0.601	22%	0.215	S	C	*	.	H	α-helix	trans	-78	-14.7	176.4	76.2	0	0	0	0	113.5	D348 A349 C350	D348-S352 PolarHBondContact O-N 3.42Å; A349-S352 WeakPolarHBondContact O-CB 3.34Å; A349-S352 PolarHBondContact O-N 2.91Å; A349-S352 PolarHBondContact O-OG 3.47Å; C350-S352 VanDerWaalsContact C-N 3.26Å; C350-S352 PolarHBondContact O-N 2.78Å
353	L	92.2	Very high	92.7	Very high	11 Å²	11	39.4 Å²	39.4	6%	0.058	21%	0.213	C	C	.	.	S	Bend	trans	-85.3	160.7	-179.6	-61.3	-179.6	0	0	0	112.1	F293 F294 M302 L306 A349 C350 R351 Q355 F360	F293-L353 HydrophobicContact CE1-CD1 4.46Å; F293-L353 HydrophobicContact CE1-CD2 3.85Å; F293-L353 HydrophobicContact CZ-CD2 3.86Å; F294-L353 HydrophobicContact CZ-CD1 4.23Å; M302-L353 HydrophobicContact CE-CD2 3.86Å; M302-L353 HydrophobicContact CE-CG 4.38Å; L306-L353 HydrophobicContact CD1-CD1 4.36Å; A349-L353 PolarHBondContact O-N 3.08Å; C350-L353 PolarHBondContact O-N 2.78Å; R351-L353 VanDerWaalsContact C-N 3.29Å; L353-Q355 PolarHBondContact O-N 3.33Å; L353-Q355 VanDerWaalsContact O-N 3.16Å; L353-Q355 PolarHBondContact O-NE2 2.91Å; L353-F360 HydrophobicContact CB-CB 4.41Å; L353-F360 HydrophobicContact CB-CD2 3.72Å; L353-F360 HydrophobicContact CB-CE2 4.2Å; L353-F360 HydrophobicContact CB-CG 4.15Å; L353-F360 HydrophobicContact CD1-CD1 4.1Å; L353-F360 HydrophobicContact CD1-CD2 4.02Å; L353-F360 HydrophobicContact CD1-CE1 4.12Å; L353-F360 HydrophobicContact CD1-CE2 4Å; L353-F360 HydrophobicContact CD1-CG 4.08Å; L353-F360 HydrophobicContact CD1-CZ 4.08Å
354	P	90.5	Very high	92.6	Very high	55 Å²	55	39.9 Å²	39.9	36%	0.357	22%	0.217	S	C	.	.			trans	-60	118.5	179.1	-24.4	35.1	0	0	0	112.8	F293 S356 I357	F293-P354 HydrophobicContact CD2-CG 4.39Å; F293-P354 HydrophobicContact CE2-CG 3.58Å; F293-P354 HydrophobicContact CZ-CG 4.09Å; P354-S356 PolarHBondContact O-N 2.92Å; P354-S356 VanDerWaalsContact O-N 3.1Å; P354-I357 PolarHBondContact O-N 2.95Å
355	Q	90.1	Very high	92.5	Very high	73 Å²	73	45.3 Å²	45.3	34%	0.341	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	1.3	-179.4	-58.3	-59.7	-57.5	0	0	113.7	C350 L353 I357 R361	C350-Q355 PolarHBondContact O-NE2 2.78Å; L353-Q355 PolarHBondContact O-N 3.33Å; L353-Q355 VanDerWaalsContact O-N 3.16Å; L353-Q355 PolarHBondContact O-NE2 2.91Å; Q355-I357 VanDerWaalsContact C-N 3.29Å; Q355-R361 PolarHBondContact O-NH1 3.01Å; Q355-R361 VanDerWaalsContact OE1-CA 3.28Å
356	S	90.7	Very high	92.3	Very high	102 Å²	102	48.7 Å²	48.7	71%	0.713	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-34.1	170	53.4	0	0	0	0	111.5	P354 Q358	P354-S356 PolarHBondContact O-N 2.92Å; P354-S356 VanDerWaalsContact O-N 3.1Å; S356-Q358 PolarHBondContact O-N 3.48Å
357	I	92.4	Very high	92.1	Very high	19 Å²	19	48.7 Å²	48.7	10%	0.097	25%	0.252	C	S	.	.	S	Bend	trans	-78.4	120.9	176.9	-69.4	168.6	0	0	0	108.6	V290 F293 P354 Q355 L359 F360 R361	V290-I357 HydrophobicContact CG2-CG2 3.6Å; F293-I357 HydrophobicContact CB-CD1 3.77Å; F293-I357 HydrophobicContact CD2-CD1 4.13Å; F293-I357 HydrophobicContact CG-CD1 3.9Å; P354-I357 PolarHBondContact O-N 2.95Å; Q355-I357 VanDerWaalsContact C-N 3.29Å; I357-L359 VanDerWaalsContact C-N 3.34Å; I357-L359 HydrophobicContact CG2-CB 4.32Å; I357-L359 PolarHBondContact O-N 3.05Å; I357-F360 HydrophobicContact CB-CD2 3.61Å; I357-F360 HydrophobicContact CB-CE2 3.93Å; I357-F360 HydrophobicContact CB-CG 4.18Å; I357-F360 HydrophobicContact CD1-CD2 3.93Å; I357-F360 HydrophobicContact CD1-CE2 3.38Å; I357-F360 HydrophobicContact CD1-CZ 4.13Å; I357-F360 HydrophobicContact CG1-CD2 4.33Å; I357-F360 HydrophobicContact CG1-CE2 4.23Å; I357-F360 HydrophobicContact CG2-CD1 4.25Å; I357-F360 HydrophobicContact CG2-CD2 3.71Å; I357-F360 HydrophobicContact CG2-CE1 4.35Å; I357-F360 HydrophobicContact CG2-CE2 3.85Å; I357-F360 HydrophobicContact CG2-CG 3.91Å; I357-F360 HydrophobicContact CG2-CZ 4.15Å; I357-F360 PolarHBondContact O-N 2.9Å; I357-R361 PolarHBondContact O-N 3.3Å
358	Q	92.4	Very high	91.7	Very high	104 Å²	104	49.9 Å²	49.9	49%	0.486	26%	0.262	S	S	.	.	H	α-helix	trans	-57.1	-45.5	-175.6	177.1	175.7	2.8	0	0	112.3	S356 F360 R361 D362	S356-Q358 PolarHBondContact O-N 3.48Å; Q358-F360 VanDerWaalsContact C-N 3.31Å; Q358-F360 PolarHBondContact O-N 3.06Å; Q358-R361 WeakPolarHBondContact O-CB 3.45Å; Q358-R361 PolarHBondContact O-N 3.1Å; Q358-R361 VanDerWaalsContact O-N 3.14Å; Q358-D362 WeakPolarHBondContact CG-OD2 3.24Å; Q358-D362 WeakPolarHBondContact O-CB 3.47Å; Q358-D362 PolarHBondContact O-N 3.26Å
359	L	93.3	Very high	91.4	Very high	14 Å²	14	51.3 Å²	51.3	7%	0.073	27%	0.269	C	S	.	.	H	α-helix	trans	-58	-41.7	-177.7	-179	61.8	0	0	0	113	V290 I357 R361 D362 I363 L525 R528 L529 L532	V290-L359 HydrophobicContact CG1-CD2 4.4Å; V290-L359 HydrophobicContact CG2-CB 4.26Å; V290-L359 HydrophobicContact CG2-CD2 4.16Å; I357-L359 VanDerWaalsContact C-N 3.34Å; I357-L359 HydrophobicContact CG2-CB 4.32Å; I357-L359 PolarHBondContact O-N 3.05Å; L359-R361 VanDerWaalsContact C-N 3.34Å; L359-D362 PolarHBondContact O-N 3.06Å; L359-I363 HydrophobicContact CD1-CD1 4.14Å; L359-I363 HydrophobicContact CD1-CG1 4.45Å; L359-I363 HydrophobicContact CG-CD1 4.1Å; L359-I363 VanDerWaalsContact O-CG1 3.31Å; L359-I363 WeakPolarHBondContact O-CG1 3.34Å; L359-I363 PolarHBondContact O-N 3.39Å; L359-L525 HydrophobicContact CD1-CD2 4.14Å; L359-R528 HydrophobicContact CD1-CB 4.1Å; L359-L529 HydrophobicContact CD2-CB 4.3Å; L359-L529 HydrophobicContact CD2-CD1 4.25Å; L359-L532 HydrophobicContact CD2-CD1 3.6Å
360	F	94.1	Very high	91.1	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-68.9	-37.5	-179.8	-57	-23.5	0	0	0	111.7	V290 F293 F294 L353 I357 Q358 A364 L529	V290-F360 HydrophobicContact CG1-CE1 4.14Å; V290-F360 HydrophobicContact CG1-CZ 4.14Å; F293-F360 AromaticContact CD1-CE2 3.68Å; F293-F360 HydrophobicContact CD1-CE2 3.68Å; F293-F360 AromaticContact CD1-CZ 3.79Å; F293-F360 HydrophobicContact CD1-CZ 3.79Å; F293-F360 AromaticContact CE1-CE2 3.89Å; F293-F360 HydrophobicContact CE1-CE2 3.89Å; F293-F360 HydrophobicContact CE1-CZ 4.19Å; F293-F360 HydrophobicContact CG-CE2 4.15Å; F293-F360 HydrophobicContact CG-CZ 4.48Å; F294-F360 HydrophobicContact CD2-CZ 4.39Å; F294-F360 AromaticContact CE2-CE1 3.68Å; F294-F360 HydrophobicContact CE2-CE1 3.68Å; F294-F360 AromaticContact CE2-CZ 3.48Å; F294-F360 HydrophobicContact CE2-CZ 3.48Å; F294-F360 VanDerWaalsContact CE2-CZ 3.48Å; F294-F360 AromaticContact CZ-CE1 3.78Å; F294-F360 HydrophobicContact CZ-CE1 3.78Å; F294-F360 AromaticContact CZ-CZ 3.57Å; F294-F360 HydrophobicContact CZ-CZ 3.57Å; L353-F360 HydrophobicContact CB-CB 4.41Å; L353-F360 HydrophobicContact CB-CD2 3.72Å; L353-F360 HydrophobicContact CB-CE2 4.2Å; L353-F360 HydrophobicContact CB-CG 4.15Å; L353-F360 HydrophobicContact CD1-CD1 4.1Å; L353-F360 HydrophobicContact CD1-CD2 4.02Å; L353-F360 HydrophobicContact CD1-CE1 4.12Å; L353-F360 HydrophobicContact CD1-CE2 4Å; L353-F360 HydrophobicContact CD1-CG 4.08Å; L353-F360 HydrophobicContact CD1-CZ 4.08Å; I357-F360 HydrophobicContact CB-CD2 3.61Å; I357-F360 HydrophobicContact CB-CE2 3.93Å; I357-F360 HydrophobicContact CB-CG 4.18Å; I357-F360 HydrophobicContact CD1-CD2 3.93Å; I357-F360 HydrophobicContact CD1-CE2 3.38Å; I357-F360 HydrophobicContact CD1-CZ 4.13Å; I357-F360 HydrophobicContact CG1-CD2 4.33Å; I357-F360 HydrophobicContact CG1-CE2 4.23Å; I357-F360 HydrophobicContact CG2-CD1 4.25Å; I357-F360 HydrophobicContact CG2-CD2 3.71Å; I357-F360 HydrophobicContact CG2-CE1 4.35Å; I357-F360 HydrophobicContact CG2-CE2 3.85Å; I357-F360 HydrophobicContact CG2-CG 3.91Å; I357-F360 HydrophobicContact CG2-CZ 4.15Å; I357-F360 PolarHBondContact O-N 2.9Å; Q358-F360 VanDerWaalsContact C-N 3.31Å; Q358-F360 PolarHBondContact O-N 3.06Å; F360-A364 VanDerWaalsContact O-CB 3.27Å; F360-A364 WeakPolarHBondContact O-CB 3.32Å; F360-A364 PolarHBondContact O-N 3.23Å; F360-L529 HydrophobicContact CE1-CD1 4.01Å
361	R	93.9	Very high	91	Very high	77 Å²	77	53.9 Å²	53.9	29%	0.291	28%	0.282	S	S	.	.	H	α-helix	trans	-66.5	-44.6	175.1	-176.9	176.7	60.7	-116.6	1	111.7	Q355 I357 Q358 L359 I363 A364 Q365	Q355-R361 PolarHBondContact O-NH1 3.01Å; Q355-R361 VanDerWaalsContact OE1-CA 3.28Å; I357-R361 PolarHBondContact O-N 3.3Å; Q358-R361 WeakPolarHBondContact O-CB 3.45Å; Q358-R361 PolarHBondContact O-N 3.1Å; Q358-R361 VanDerWaalsContact O-N 3.14Å; L359-R361 VanDerWaalsContact C-N 3.34Å; R361-I363 PolarHBondContact O-N 3.44Å; R361-A364 PolarHBondContact O-N 3.06Å; R361-Q365 HydrophobicContact CG-CG 4.43Å; R361-Q365 WeakPolarHBondContact O-CB 3.49Å; R361-Q365 VanDerWaalsContact O-CG 3.3Å; R361-Q365 WeakPolarHBondContact O-CG 3.49Å; R361-Q365 PolarHBondContact O-N 3.46Å
362	D	94.1	Very high	90.8	Very high	37 Å²	37	52 Å²	52	20%	0.198	28%	0.278	C	S	.	.	H	α-helix	trans	-62.3	-43.8	178.4	-65.3	-3.7	0	0	0	110.1	Q358 L359 A364 Q365 E366 L525	Q358-D362 WeakPolarHBondContact CG-OD2 3.24Å; Q358-D362 WeakPolarHBondContact O-CB 3.47Å; Q358-D362 PolarHBondContact O-N 3.26Å; L359-D362 PolarHBondContact O-N 3.06Å; D362-A364 PolarHBondContact O-N 3.35Å; D362-Q365 PolarHBondContact O-N 3.28Å; D362-E366 WeakPolarHBondContact O-CB 3.23Å; D362-E366 VanDerWaalsContact O-CG 3.28Å; D362-E366 WeakPolarHBondContact O-CG 3.3Å; D362-E366 PolarHBondContact O-N 3Å; D362-L525 HydrophobicContact CB-CD1 4.2Å; D362-L525 HydrophobicContact CB-CD2 4.26Å
363	I	92.9	Very high	90.8	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62.2	-45.1	174.2	-68.9	167.6	0	0	0	111.3	C350 L359 R361 Q365 F367 L525 L529	C350-I363 HydrophobicContact CB-CB 4.17Å; C350-I363 HydrophobicContact CB-CG2 3.81Å; L359-I363 HydrophobicContact CD1-CD1 4.14Å; L359-I363 HydrophobicContact CD1-CG1 4.45Å; L359-I363 HydrophobicContact CG-CD1 4.1Å; L359-I363 VanDerWaalsContact O-CG1 3.31Å; L359-I363 WeakPolarHBondContact O-CG1 3.34Å; L359-I363 PolarHBondContact O-N 3.39Å; R361-I363 PolarHBondContact O-N 3.44Å; I363-Q365 VanDerWaalsContact C-N 3.26Å; I363-Q365 PolarHBondContact O-N 2.94Å; I363-F367 HydrophobicContact CG1-CE1 4.49Å; I363-F367 HydrophobicContact CG1-CZ 4.4Å; I363-F367 HydrophobicContact CG2-CD1 4.43Å; I363-F367 HydrophobicContact CG2-CD2 3.9Å; I363-F367 HydrophobicContact CG2-CE1 4.29Å; I363-F367 HydrophobicContact CG2-CE2 3.77Å; I363-F367 HydrophobicContact CG2-CG 4.24Å; I363-F367 HydrophobicContact CG2-CZ 3.97Å; I363-F367 VanDerWaalsContact O-CB 3.27Å; I363-F367 WeakPolarHBondContact O-CB 3.45Å; I363-F367 WeakPolarHBondContact O-CG 3.4Å; I363-F367 PolarHBondContact O-N 2.97Å; I363-L525 HydrophobicContact CD1-CB 4.43Å; I363-L525 HydrophobicContact CG1-CB 3.73Å; I363-L525 HydrophobicContact CG1-CD1 4.13Å; I363-L525 HydrophobicContact CG1-CG 4.46Å; I363-L529 HydrophobicContact CD1-CB 4.16Å; I363-L529 HydrophobicContact CD1-CD2 3.93Å
364	A	91.9	Very high	90.7	Very high	10 Å²	10	51.1 Å²	51.1	8%	0.083	26%	0.264	C	S	.	.	H	α-helix	trans	-65	-29.1	-178.6	0	0	0	0	0	113.5	R351 F360 R361 D362	R351-A364 HydrophobicContact CG-CB 3.73Å; F360-A364 VanDerWaalsContact O-CB 3.27Å; F360-A364 WeakPolarHBondContact O-CB 3.32Å; F360-A364 PolarHBondContact O-N 3.23Å; R361-A364 PolarHBondContact O-N 3.06Å; D362-A364 PolarHBondContact O-N 3.35Å
365	Q	90.4	Very high	90.7	Very high	126 Å²	126	49 Å²	49	59%	0.589	25%	0.251	S	S	*	.	H	α-helix	trans	-93	-48	-177.9	-70.7	178.6	-7.6	0	0	113.1	R361 D362 I363 F367	R361-Q365 HydrophobicContact CG-CG 4.43Å; R361-Q365 WeakPolarHBondContact O-CB 3.49Å; R361-Q365 VanDerWaalsContact O-CG 3.3Å; R361-Q365 WeakPolarHBondContact O-CG 3.49Å; R361-Q365 PolarHBondContact O-N 3.46Å; D362-Q365 PolarHBondContact O-N 3.28Å; I363-Q365 VanDerWaalsContact C-N 3.26Å; I363-Q365 PolarHBondContact O-N 2.94Å; Q365-F367 PolarHBondContact O-N 3.48Å
366	E	90.1	Very high	90.8	Very high	92 Å²	92	47.7 Å²	47.7	43%	0.43	25%	0.251	S	S	.	.	H	α-helix	trans	-76.4	-22.2	-173	-67.4	-75.7	125.9	0	0	112.9	D362 S368 R521 L525	D362-E366 WeakPolarHBondContact O-CB 3.23Å; D362-E366 VanDerWaalsContact O-CG 3.28Å; D362-E366 WeakPolarHBondContact O-CG 3.3Å; D362-E366 PolarHBondContact O-N 3Å; E366-S368 PolarHBondContact O-N 2.77Å; E366-R521 HydrophobicContact CB-CG 3.85Å; E366-R521 HydrophobicContact CG-CG 4.31Å; E366-R521 IonicContact OE2-NE 2.65Å; E366-R521 PolarHBondContact OE2-NE 3.02Å; E366-L525 HydrophobicContact CB-CD1 3.93Å; E366-L525 HydrophobicContact CG-CD1 4.17Å
367	F	89.7	Confident	90.7	Very high	1 Å²	1	44.7 Å²	44.7	0%	0.004	23%	0.226	C	C	.	.	S	Bend	trans	-78.6	75.5	175.6	-72.2	21.4	0	0	0	108.5	A343 L346 R347 I363 Q365 L371 V522 L525	A343-F367 HydrophobicContact CB-CD2 4.26Å; A343-F367 HydrophobicContact CB-CE2 4.11Å; A343-F367 VanDerWaalsContact O-CD2 3.29Å; A343-F367 WeakPolarHBondContact O-CD2 3.14Å; L346-F367 HydrophobicContact CB-CE2 4.2Å; R347-F367 HydrophobicContact CB-CB 3.93Å; R347-F367 HydrophobicContact CB-CD2 4Å; R347-F367 HydrophobicContact CB-CG 4.44Å; R347-F367 WeakPolarHBondContact CD-O 3.32Å; R347-F367 HydrophobicContact CG-CB 3.89Å; R347-F367 PolarHBondContact NH1-O 2.78Å; I363-F367 HydrophobicContact CG1-CE1 4.49Å; I363-F367 HydrophobicContact CG1-CZ 4.4Å; I363-F367 HydrophobicContact CG2-CD1 4.43Å; I363-F367 HydrophobicContact CG2-CD2 3.9Å; I363-F367 HydrophobicContact CG2-CE1 4.29Å; I363-F367 HydrophobicContact CG2-CE2 3.77Å; I363-F367 HydrophobicContact CG2-CG 4.24Å; I363-F367 HydrophobicContact CG2-CZ 3.97Å; I363-F367 VanDerWaalsContact O-CB 3.27Å; I363-F367 WeakPolarHBondContact O-CB 3.45Å; I363-F367 WeakPolarHBondContact O-CG 3.4Å; I363-F367 PolarHBondContact O-N 2.97Å; Q365-F367 PolarHBondContact O-N 3.48Å; F367-L371 HydrophobicContact CB-CD1 3.75Å; F367-L371 HydrophobicContact CD2-CD1 4.26Å; F367-L371 HydrophobicContact CG-CD1 4.04Å; F367-V522 HydrophobicContact CD1-CG2 3.86Å; F367-V522 HydrophobicContact CD2-CG2 4.28Å; F367-V522 HydrophobicContact CE1-CB 4.12Å; F367-V522 HydrophobicContact CE1-CG2 3.74Å; F367-V522 HydrophobicContact CE2-CG1 4.24Å; F367-V522 HydrophobicContact CE2-CG2 4.16Å; F367-V522 HydrophobicContact CG-CG2 4.16Å; F367-V522 HydrophobicContact CZ-CB 4.06Å; F367-V522 HydrophobicContact CZ-CG1 3.96Å; F367-V522 HydrophobicContact CZ-CG2 3.89Å; F367-L525 HydrophobicContact CD1-CD1 4.46Å; F367-L525 HydrophobicContact CE1-CB 4.03Å; F367-L525 HydrophobicContact CE1-CD1 3.98Å; F367-L525 HydrophobicContact CZ-CB 4.36Å
368	S	85.2	Confident	90.6	Very high	35 Å²	35	43.8 Å²	43.8	25%	0.245	22%	0.222	C	C	.	.			trans	-64.3	168.7	-172.9	72.2	0	0	0	0	112.7	E366 D370 L371	E366-S368 PolarHBondContact O-N 2.77Å; S368-D370 PolarHBondContact O-N 3.41Å; S368-D370 VanDerWaalsContact O-N 3.14Å; S368-D370 VanDerWaalsContact OG-CB 3.23Å; S368-D370 WeakPolarHBondContact OG-CB 3.22Å; S368-D370 PolarHBondContact OG-N 2.97Å; S368-D370 PolarHBondContact OG-OD2 3.16Å; S368-L371 PolarHBondContact O-N 3.44Å; S368-L371 VanDerWaalsContact O-N 3.14Å
369	D	86.7	Confident	90.4	Very high	109 Å²	109	40.2 Å²	40.2	58%	0.583	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-5.6	173.5	-63.9	-35.9	0	0	0	112.9	R347 L371 H372 H373	R347-D369 IonicContact CZ-OD1 2.81Å; R347-D369 IonicContact NH1-OD1 3.08Å; R347-D369 PolarHBondContact NH1-OD1 3.47Å; R347-D369 IonicContact NH2-OD1 3.28Å; D369-L371 PolarHBondContact O-N 3.2Å; D369-H372 WeakPolarHBondContact O-CB 3.31Å; D369-H372 PolarHBondContact O-N 2.89Å; D369-H373 PolarHBondContact O-N 3.04Å
370	D	87.3	Confident	90.2	Very high	61 Å²	61	46.4 Å²	46.4	33%	0.326	24%	0.239	S	C	.	.	H	α-helix	trans	-59.3	-32.9	167	-67	-58.1	0	0	0	111.9	S368 H372 H373 I374 R515 V518	S368-D370 PolarHBondContact O-N 3.41Å; S368-D370 VanDerWaalsContact O-N 3.14Å; S368-D370 VanDerWaalsContact OG-CB 3.23Å; S368-D370 WeakPolarHBondContact OG-CB 3.22Å; S368-D370 PolarHBondContact OG-N 2.97Å; S368-D370 PolarHBondContact OG-OD2 3.16Å; D370-H372 VanDerWaalsContact C-N 3.33Å; D370-H373 WeakPolarHBondContact O-CB 3.44Å; D370-H373 PolarHBondContact O-N 3.41Å; D370-I374 VanDerWaalsContact O-CG1 3.29Å; D370-I374 WeakPolarHBondContact O-CG1 3.09Å; D370-I374 PolarHBondContact O-N 3.07Å; D370-R515 HydrophobicContact CB-CG 4.45Å; D370-R515 IonicContact OD1-NE 3.1Å; D370-R515 PolarHBondContact OD1-NE 3.18Å; D370-V518 HydrophobicContact CB-CG2 4.17Å
371	L	89.9	Confident	89.9	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-64.7	-39.5	174	-67.5	174	0	0	0	111.4	V340 A343 L344 F367 S368 D369 H373 I374 A375 V518 L519 V522	V340-L371 HydrophobicContact CG1-CB 4.05Å; V340-L371 HydrophobicContact CG1-CD2 4.14Å; V340-L371 WeakPolarHBondContact CG1-O 3.49Å; A343-L371 HydrophobicContact CB-CD1 4.21Å; L344-L371 HydrophobicContact CD2-CB 3.4Å; L344-L371 VanDerWaalsContact CD2-CB 3.4Å; L344-L371 HydrophobicContact CD2-CD1 4.16Å; L344-L371 HydrophobicContact CD2-CG 4.45Å; L344-L371 HydrophobicContact CG-CB 4.17Å; F367-L371 HydrophobicContact CB-CD1 3.75Å; F367-L371 HydrophobicContact CD2-CD1 4.26Å; F367-L371 HydrophobicContact CG-CD1 4.04Å; S368-L371 PolarHBondContact O-N 3.44Å; S368-L371 VanDerWaalsContact O-N 3.14Å; D369-L371 PolarHBondContact O-N 3.2Å; L371-H373 VanDerWaalsContact C-N 3.28Å; L371-H373 PolarHBondContact O-N 3.34Å; L371-I374 PolarHBondContact O-N 3.48Å; L371-A375 WeakPolarHBondContact O-CB 3.26Å; L371-A375 PolarHBondContact O-N 3.5Å; L371-V518 HydrophobicContact CD1-CG1 4.3Å; L371-V518 HydrophobicContact CD2-CG1 3.88Å; L371-V518 HydrophobicContact CG-CG1 3.77Å; L371-L519 HydrophobicContact CD2-CD2 3.89Å; L371-V522 HydrophobicContact CD1-CG2 3.72Å; L371-V522 HydrophobicContact CD2-CG2 3.98Å; L371-V522 HydrophobicContact CG-CG2 4.44Å
372	H	89.3	Confident	89.6	Confident	80 Å²	80	44.1 Å²	44.1	37%	0.37	23%	0.233	S	C	.	.	H	α-helix	trans	-62.5	-40.1	172.8	-85.6	71.5	0	0	0	111	L344 R347 D369 D370 S376	L344-H372 WeakPolarHBondContact CD2-CE1 3.32Å; L344-H372 WeakPolarHBondContact CD2-ND1 3.44Å; R347-H372 VanDerWaalsContact CZ-CE1 3.43Å; R347-H372 PolarHBondContact NH1-ND1 2.98Å; R347-H372 PolarHBondContact NH2-CE1 2.86Å; R347-H372 PolarHBondContact NH2-ND1 3.38Å; D369-H372 WeakPolarHBondContact O-CB 3.31Å; D369-H372 PolarHBondContact O-N 2.89Å; D370-H372 VanDerWaalsContact C-N 3.33Å; H372-S376 VanDerWaalsContact O-CB 3.27Å; H372-S376 WeakPolarHBondContact O-CB 3.41Å; H372-S376 PolarHBondContact O-N 2.93Å
373	H	90.3	Very high	89.3	Confident	78 Å²	78	44.1 Å²	44.1	36%	0.361	23%	0.234	S	C	.	.	H	α-helix	trans	-64.7	-45.8	177	-169.2	73.5	0	0	0	112	D369 D370 L371 S376 L377 R515	D369-H373 PolarHBondContact O-N 3.04Å; D370-H373 WeakPolarHBondContact O-CB 3.44Å; D370-H373 PolarHBondContact O-N 3.41Å; L371-H373 VanDerWaalsContact C-N 3.28Å; L371-H373 PolarHBondContact O-N 3.34Å; H373-S376 PolarHBondContact O-N 2.91Å; H373-L377 WeakPolarHBondContact CD2-CD1 3.27Å; H373-L377 WeakPolarHBondContact NE2-CD1 3.43Å; H373-L377 WeakPolarHBondContact O-CB 3.24Å; H373-L377 WeakPolarHBondContact O-CG 3.44Å; H373-L377 PolarHBondContact O-N 2.84Å; H373-R515 PolarHBondContact CD2-NH2 2.64Å; H373-R515 VanDerWaalsContact CD2-NH2 3.27Å; H373-R515 PolarHBondContact NE2-NH2 3.1Å
374	I	90.1	Very high	89	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-60.4	-49	176	-66.7	163.9	0	0	0	110.5	V340 D370 L371 S376 L377 I378 V512 R515 L519	V340-I374 HydrophobicContact CG1-CB 4.36Å; V340-I374 HydrophobicContact CG1-CG2 4.35Å; V340-I374 HydrophobicContact CG2-CG2 3.92Å; D370-I374 VanDerWaalsContact O-CG1 3.29Å; D370-I374 WeakPolarHBondContact O-CG1 3.09Å; D370-I374 PolarHBondContact O-N 3.07Å; L371-I374 PolarHBondContact O-N 3.48Å; I374-S376 PolarHBondContact O-N 2.97Å; I374-L377 PolarHBondContact O-N 2.93Å; I374-I378 HydrophobicContact CG2-CD1 3.72Å; I374-I378 HydrophobicContact CG2-CG1 4.46Å; I374-I378 WeakPolarHBondContact O-CG1 3.38Å; I374-I378 PolarHBondContact O-N 3.32Å; I374-V512 HydrophobicContact CG2-CG2 4.32Å; I374-R515 HydrophobicContact CD1-CB 3.89Å; I374-R515 HydrophobicContact CG1-CB 4.39Å; I374-L519 HydrophobicContact CD1-CD1 4.43Å; I374-L519 HydrophobicContact CD1-CD2 4.28Å; I374-L519 HydrophobicContact CD1-CG 4.26Å
375	A	90.8	Very high	88.6	Confident	10 Å²	10	53.9 Å²	53.9	8%	0.083	28%	0.277	C	S	.	.	H	α-helix	trans	-60.4	-45.5	177.9	0	0	0	0	0	111.4	Y337 V340 L344 L371 L377 I378 G379	Y337-A375 HydrophobicContact CE2-CB 4.39Å; Y337-A375 WeakPolarHBondContact CE2-O 3.46Å; V340-A375 HydrophobicContact CG1-CB 3.83Å; L344-A375 HydrophobicContact CD1-CB 4.22Å; L371-A375 WeakPolarHBondContact O-CB 3.26Å; L371-A375 PolarHBondContact O-N 3.5Å; A375-L377 VanDerWaalsContact C-N 3.35Å; A375-L377 PolarHBondContact O-N 3.2Å; A375-I378 PolarHBondContact O-N 2.84Å; A375-G379 PolarHBondContact O-N 3.3Å
376	S	91.1	Very high	88.2	Confident	47 Å²	47	48.8 Å²	48.8	33%	0.329	26%	0.258	S	S	.	.	H	α-helix	trans	-65.7	-36.1	178.2	179.8	0	0	0	0	112.5	H372 H373 I374 K380	H372-S376 VanDerWaalsContact O-CB 3.27Å; H372-S376 WeakPolarHBondContact O-CB 3.41Å; H372-S376 PolarHBondContact O-N 2.93Å; H373-S376 PolarHBondContact O-N 2.91Å; I374-S376 PolarHBondContact O-N 2.97Å; S376-K380 WeakPolarHBondContact O-CB 3.33Å; S376-K380 WeakPolarHBondContact O-CD 3.23Å; S376-K380 WeakPolarHBondContact O-CG 3.4Å; S376-K380 PolarHBondContact O-N 3.37Å; S376-K380 VanDerWaalsContact O-N 3.11Å; S376-K380 VanDerWaalsContact OG-CE 3.25Å; S376-K380 WeakPolarHBondContact OG-CE 3.33Å; S376-K380 PolarHBondContact OG-NZ 3.35Å
377	L	89.5	Confident	87.9	Confident	39 Å²	39	44.4 Å²	44.4	20%	0.204	24%	0.237	C	C	.	.	H	α-helix	trans	-64.8	-53.6	176.6	-83.8	165.5	0	0	0	110	H373 I374 A375 G379 K380 V381 L508 Q511	H373-L377 WeakPolarHBondContact CD2-CD1 3.27Å; H373-L377 WeakPolarHBondContact NE2-CD1 3.43Å; H373-L377 WeakPolarHBondContact O-CB 3.24Å; H373-L377 WeakPolarHBondContact O-CG 3.44Å; H373-L377 PolarHBondContact O-N 2.84Å; I374-L377 PolarHBondContact O-N 2.93Å; A375-L377 VanDerWaalsContact C-N 3.35Å; A375-L377 PolarHBondContact O-N 3.2Å; L377-G379 PolarHBondContact O-N 3.3Å; L377-K380 PolarHBondContact O-N 3.17Å; L377-V381 VanDerWaalsContact O-CB 3.26Å; L377-V381 WeakPolarHBondContact O-CB 3.41Å; L377-V381 WeakPolarHBondContact O-CG2 3.42Å; L377-V381 PolarHBondContact O-N 3.01Å; L377-L508 HydrophobicContact CB-CD1 3.91Å; L377-Q511 HydrophobicContact CD1-CB 4.2Å
378	I	90.1	Very high	87.6	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62.1	-48.2	-178.3	-62.6	169.3	0	0	0	110.3	W333 L336 Y337 I374 A375 K380 V381 V382 F384	W333-I378 HydrophobicContact CE3-CD1 4.25Å; W333-I378 HydrophobicContact CE3-CG1 4.14Å; W333-I378 HydrophobicContact CE3-CG2 4.41Å; W333-I378 HydrophobicContact CZ3-CD1 4.36Å; W333-I378 HydrophobicContact CZ3-CG1 4.14Å; L336-I378 HydrophobicContact CD2-CD1 3.7Å; L336-I378 HydrophobicContact CG-CD1 3.93Å; Y337-I378 HydrophobicContact CD2-CB 4.09Å; Y337-I378 HydrophobicContact CD2-CG2 3.96Å; Y337-I378 HydrophobicContact CG-CG2 4.3Å; I374-I378 HydrophobicContact CG2-CD1 3.72Å; I374-I378 HydrophobicContact CG2-CG1 4.46Å; I374-I378 WeakPolarHBondContact O-CG1 3.38Å; I374-I378 PolarHBondContact O-N 3.32Å; A375-I378 PolarHBondContact O-N 2.84Å; I378-K380 VanDerWaalsContact C-N 3.29Å; I378-K380 PolarHBondContact O-N 2.94Å; I378-V381 PolarHBondContact O-N 2.78Å; I378-V382 HydrophobicContact CG2-CB 4.34Å; I378-V382 HydrophobicContact CG2-CG2 3.93Å; I378-V382 WeakPolarHBondContact O-CB 3.43Å; I378-V382 WeakPolarHBondContact O-CG2 3.22Å; I378-V382 PolarHBondContact O-N 3.25Å; I378-F384 HydrophobicContact CG2-CE1 4.38Å; I378-F384 HydrophobicContact CG2-CZ 3.71Å
379	G	88.7	Confident	87.3	Confident	29 Å²	29	52.2 Å²	52.2	30%	0.299	29%	0.287	S	S	.	.	H	α-helix	trans	-69	-21.5	-178	0	0	0	0	0	114.9	A375 L377 L396	A375-G379 PolarHBondContact O-N 3.3Å; L377-G379 PolarHBondContact O-N 3.3Å; G379-L396 WeakPolarHBondContact O-CD1 3.42Å
380	K	88.1	Confident	86.9	Confident	143 Å²	143	53.2 Å²	53.2	62%	0.622	29%	0.289	S	S	*	.	H	α-helix	trans	-90.9	-23.4	174.1	-73.5	176.8	-179.5	168.8	0	113.3	S376 L377 I378 I399	S376-K380 WeakPolarHBondContact O-CB 3.33Å; S376-K380 WeakPolarHBondContact O-CD 3.23Å; S376-K380 WeakPolarHBondContact O-CG 3.4Å; S376-K380 PolarHBondContact O-N 3.37Å; S376-K380 VanDerWaalsContact O-N 3.11Å; S376-K380 VanDerWaalsContact OG-CE 3.25Å; S376-K380 WeakPolarHBondContact OG-CE 3.33Å; S376-K380 PolarHBondContact OG-NZ 3.35Å; L377-K380 PolarHBondContact O-N 3.17Å; I378-K380 VanDerWaalsContact C-N 3.29Å; I378-K380 PolarHBondContact O-N 2.94Å; K380-I399 WeakPolarHBondContact O-CD1 3.36Å
381	V	87.4	Confident	86.6	Confident	26 Å²	26	57.4 Å²	57.4	16%	0.158	31%	0.311	C	S	.	.	H	α-helix	trans	-99	-44.8	-173.2	176.7	0	0	0	0	112.1	L377 I378 V395 L396 I399 L508	L377-V381 VanDerWaalsContact O-CB 3.26Å; L377-V381 WeakPolarHBondContact O-CB 3.41Å; L377-V381 WeakPolarHBondContact O-CG2 3.42Å; L377-V381 PolarHBondContact O-N 3.01Å; I378-V381 PolarHBondContact O-N 2.78Å; V381-V395 WeakPolarHBondContact O-CA 3.05Å; V381-L396 PolarHBondContact O-N 3.1Å; V381-L396 VanDerWaalsContact O-N 3.07Å; V381-I399 VanDerWaalsContact CA-CD1 3.4Å; V381-I399 HydrophobicContact CB-CD1 4.3Å; V381-I399 HydrophobicContact CG1-CD1 4.27Å; V381-I399 WeakPolarHBondContact O-CD1 3.32Å; V381-L508 HydrophobicContact CB-CD2 4.31Å; V381-L508 HydrophobicContact CG1-CD2 4.09Å
382	V	88.1	Confident	86.2	Confident	3 Å²	3	61 Å²	61	2%	0.018	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-90	124.8	-168.2	-173.8	0	0	0	0	110.7	W333 I378 F384 F393 L508	W333-V382 HydrophobicContact CB-CG1 4.44Å; I378-V382 HydrophobicContact CG2-CB 4.34Å; I378-V382 HydrophobicContact CG2-CG2 3.93Å; I378-V382 WeakPolarHBondContact O-CB 3.43Å; I378-V382 WeakPolarHBondContact O-CG2 3.22Å; I378-V382 PolarHBondContact O-N 3.25Å; V382-F384 HydrophobicContact CB-CE1 4.23Å; V382-F384 HydrophobicContact CB-CZ 4.34Å; V382-F384 HydrophobicContact CG1-CD1 3.81Å; V382-F384 HydrophobicContact CG1-CE1 3.76Å; V382-F384 HydrophobicContact CG1-CG 4.47Å; V382-F384 HydrophobicContact CG1-CZ 4.36Å; V382-F384 PolarHBondContact O-N 3.36Å; V382-F393 HydrophobicContact CB-CE2 4.35Å; V382-F393 HydrophobicContact CG1-CD2 4.44Å; V382-F393 HydrophobicContact CG1-CE2 3.96Å; V382-F393 HydrophobicContact CG2-CE2 3.66Å; V382-F393 HydrophobicContact CG2-CZ 3.99Å; V382-L508 HydrophobicContact CG2-CD2 3.59Å
383	D	87	Confident	85.9	Confident	38 Å²	38	57.9 Å²	57.9	20%	0.203	31%	0.31	C	S	.	.			trans	-88.2	98.2	168.8	-178.9	-0.1	0	0	0	109.2	E385 G386 S387 T394 L396	D383-E385 PolarHBondContact OD1-N 3.21Å; D383-G386 PolarHBondContact OD1-N 2.94Å; D383-S387 WeakPolarHBondContact O-CB 3.23Å; D383-S387 PolarHBondContact O-N 2.55Å; D383-S387 PolarHBondContact O-OG 2.69Å; D383-T394 PolarHBondContact N-O 3.11Å; D383-T394 PolarHBondContact O-OG1 2.93Å; D383-L396 HydrophobicContact CB-CD2 3.76Å; D383-L396 HydrophobicContact CB-CG 3.96Å
384	F	86.7	Confident	85.6	Confident	47 Å²	47	54.4 Å²	54.4	21%	0.206	29%	0.294	C	S	.	.	H	α-helix	trans	-68.2	-34.8	-177.6	-64.5	-63.3	0	0	0	113.5	W333 Q334 Y337 I378 V382 L388	W333-F384 HydrophobicContact CB-CE1 4.07Å; Q334-F384 HydrophobicContact CB-CD1 4.34Å; Q334-F384 HydrophobicContact CB-CE1 4.28Å; Q334-F384 HydrophobicContact CG-CB 4.43Å; Q334-F384 HydrophobicContact CG-CD1 3.27Å; Q334-F384 HydrophobicContact CG-CE1 3.66Å; Q334-F384 HydrophobicContact CG-CG 4.07Å; Y337-F384 HydrophobicContact CD1-CE2 4.13Å; Y337-F384 HydrophobicContact CD1-CZ 4.21Å; Y337-F384 HydrophobicContact CG-CE2 4.2Å; Y337-F384 AromaticContact CG-CZ 3.93Å; Y337-F384 HydrophobicContact CG-CZ 3.93Å; I378-F384 HydrophobicContact CG2-CE1 4.38Å; I378-F384 HydrophobicContact CG2-CZ 3.71Å; V382-F384 HydrophobicContact CB-CE1 4.23Å; V382-F384 HydrophobicContact CB-CZ 4.34Å; V382-F384 HydrophobicContact CG1-CD1 3.81Å; V382-F384 HydrophobicContact CG1-CE1 3.76Å; V382-F384 HydrophobicContact CG1-CG 4.47Å; V382-F384 HydrophobicContact CG1-CZ 4.36Å; V382-F384 PolarHBondContact O-N 3.36Å; F384-L388 PolarHBondContact O-N 2.95Å
385	E	84.4	Confident	85.4	Confident	168 Å²	168	54.5 Å²	54.5	79%	0.785	30%	0.295	S	S	*	.	H	α-helix	trans	-75.6	-49.4	-178.3	-68.4	-176.8	175.9	0	0	110.2	D383 S387 L388 A389	D383-E385 PolarHBondContact OD1-N 3.21Å; E385-S387 PolarHBondContact O-N 3.47Å; E385-L388 PolarHBondContact O-N 3.42Å; E385-A389 PolarHBondContact O-N 3.3Å
386	G	81	Confident	85.2	Confident	18 Å²	18	56.4 Å²	56.4	19%	0.186	30%	0.303	C	S	.	.	H	α-helix	trans	-59	-38.2	174.3	0	0	0	0	0	111.8	D383 L388 A389 E390	D383-G386 PolarHBondContact OD1-N 2.94Å; G386-L388 VanDerWaalsContact C-N 3.34Å; G386-L388 PolarHBondContact O-N 3.3Å; G386-A389 PolarHBondContact O-N 3.36Å; G386-E390 WeakPolarHBondContact O-CB 3.46Å; G386-E390 WeakPolarHBondContact O-CG 3.43Å; G386-E390 PolarHBondContact O-N 3.29Å
387	S	84.3	Confident	84.8	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-70.7	-32.2	-178.9	-61	0	0	0	0	113.2	D383 E385 N391 R392 T394	D383-S387 WeakPolarHBondContact O-CB 3.23Å; D383-S387 PolarHBondContact O-N 2.55Å; D383-S387 PolarHBondContact O-OG 2.69Å; E385-S387 PolarHBondContact O-N 3.47Å; S387-N391 CarbonylContact O-C 3.56Å; S387-N391 WeakPolarHBondContact O-CA 3.44Å; S387-N391 PolarHBondContact O-N 2.97Å; S387-N391 VanDerWaalsContact O-N 3.1Å; S387-R392 CarbonylContact C-O 3.52Å; S387-R392 WeakPolarHBondContact CA-O 3.47Å; S387-R392 WeakPolarHBondContact CB-O 3.46Å; S387-R392 PolarHBondContact O-N 3Å; S387-R392 PolarHBondContact OG-O 3.44Å; S387-T394 WeakPolarHBondContact CA-OG1 3.35Å; S387-T394 PolarHBondContact N-OG1 3.42Å; S387-T394 PolarHBondContact OG-N 2.84Å; S387-T394 PolarHBondContact OG-O 3.42Å; S387-T394 PolarHBondContact OG-OG1 2.83Å
388	L	82.6	Confident	84.4	Confident	117 Å²	117	63.3 Å²	63.3	61%	0.613	34%	0.341	S	S	*	.	H	α-helix	trans	-72.1	-42.8	175.6	-149.6	98.8	0	0	0	110.6	F384 E385 G386 N391	F384-L388 PolarHBondContact O-N 2.95Å; E385-L388 PolarHBondContact O-N 3.42Å; G386-L388 VanDerWaalsContact C-N 3.34Å; G386-L388 PolarHBondContact O-N 3.3Å; L388-N391 PolarHBondContact O-N 3.14Å
389	A	80.7	Confident	84	Confident	83 Å²	83	66 Å²	66	69%	0.686	36%	0.355	S	S	*	.	H	α-helix	trans	-64.3	-42.5	-179.9	0	0	0	0	0	112.5	E385 G386 N391	E385-A389 PolarHBondContact O-N 3.3Å; G386-A389 PolarHBondContact O-N 3.36Å; A389-N391 VanDerWaalsContact C-N 3.31Å
390	E	78.2	Confident	83.9	Confident	131 Å²	131	66.4 Å²	66.4	61%	0.612	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-2.4	178.8	-62.7	-63.2	149	0	0	113.1	G386 R392 T394	G386-E390 WeakPolarHBondContact O-CB 3.46Å; G386-E390 WeakPolarHBondContact O-CG 3.43Å; G386-E390 PolarHBondContact O-N 3.29Å; E390-R392 HydrophobicContact CB-CB 4.49Å; E390-R392 PolarHBondContact O-N 3.16Å; E390-R392 VanDerWaalsContact O-N 3.14Å; E390-T394 HydrophobicContact CB-CG2 4.25Å; E390-T394 HydrophobicContact CG-CG2 4.3Å
391	N	79.9	Confident	83.8	Confident	149 Å²	149	64.5 Å²	64.5	80%	0.797	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.5	37.7	-172.3	-165.2	27	0	0	0	113.2	S387 L388 A389	S387-N391 CarbonylContact O-C 3.56Å; S387-N391 WeakPolarHBondContact O-CA 3.44Å; S387-N391 PolarHBondContact O-N 2.97Å; S387-N391 VanDerWaalsContact O-N 3.1Å; L388-N391 PolarHBondContact O-N 3.14Å; A389-N391 VanDerWaalsContact C-N 3.31Å
392	R	80.9	Confident	83.8	Confident	74 Å²	74	67.7 Å²	67.7	28%	0.279	37%	0.366	S	S	.	.	S	Bend	trans	-154.8	152.4	-173.4	-174.5	178.5	65.4	82.5	0.2	110	V330 S387 E390 T394 E501	V330-R392 VanDerWaalsContact CG2-C 3.49Å; S387-R392 CarbonylContact C-O 3.52Å; S387-R392 WeakPolarHBondContact CA-O 3.47Å; S387-R392 WeakPolarHBondContact CB-O 3.46Å; S387-R392 PolarHBondContact O-N 3Å; S387-R392 PolarHBondContact OG-O 3.44Å; E390-R392 HydrophobicContact CB-CB 4.49Å; E390-R392 PolarHBondContact O-N 3.16Å; E390-R392 VanDerWaalsContact O-N 3.14Å; R392-T394 PolarHBondContact O-N 2.98Å; R392-E501 IonicContact CZ-OE2 3.59Å; R392-E501 IonicContact NH1-OE2 3.43Å; R392-E501 PolarHBondContact NH1-OE2 2.92Å; R392-E501 IonicContact NH2-OE2 3.56Å; R392-E501 PolarHBondContact NH2-OE2 3.47Å
393	F	83.5	Confident	83.7	Confident	15 Å²	15	67.5 Å²	67.5	7%	0.066	37%	0.365	C	S	.	.			trans	-59.3	123.9	172.1	-175.5	-92	0	0	0	111.7	W333 V382 V395 E501 M505 L508	W333-F393 AromaticContact CD1-CD2 3.79Å; W333-F393 HydrophobicContact CD2-CE2 4.41Å; W333-F393 AromaticContact CE2-CE2 3.96Å; W333-F393 HydrophobicContact CG-CE2 4.44Å; W333-F393 HydrophobicContact CZ2-CE2 4.47Å; W333-F393 AromaticContact NE1-CD2 3.56Å; W333-F393 AromaticContact NE1-CE2 3.67Å; V382-F393 HydrophobicContact CB-CE2 4.35Å; V382-F393 HydrophobicContact CG1-CD2 4.44Å; V382-F393 HydrophobicContact CG1-CE2 3.96Å; V382-F393 HydrophobicContact CG2-CE2 3.66Å; V382-F393 HydrophobicContact CG2-CZ 3.99Å; F393-V395 HydrophobicContact CD1-CG1 4.41Å; F393-V395 HydrophobicContact CE1-CG1 3.62Å; F393-V395 HydrophobicContact CZ-CG1 4.32Å; F393-E501 HydrophobicContact CD1-CB 4.48Å; F393-M505 HydrophobicContact CB-SD 3.8Å; F393-M505 HydrophobicContact CD1-CB 3.66Å; F393-M505 HydrophobicContact CD1-CG 4.08Å; F393-M505 HydrophobicContact CD1-SD 4.29Å; F393-M505 HydrophobicContact CD2-CB 4.4Å; F393-M505 HydrophobicContact CD2-CG 3.93Å; F393-M505 HydrophobicContact CD2-SD 3.93Å; F393-M505 HydrophobicContact CE1-CB 3.58Å; F393-M505 HydrophobicContact CE1-CG 4.14Å; F393-M505 HydrophobicContact CE2-CB 4.33Å; F393-M505 HydrophobicContact CE2-CG 3.99Å; F393-M505 HydrophobicContact CG-CB 4.07Å; F393-M505 HydrophobicContact CG-CG 3.96Å; F393-M505 HydrophobicContact CG-SD 3.75Å; F393-M505 HydrophobicContact CZ-CB 3.94Å; F393-M505 HydrophobicContact CZ-CG 4.1Å; F393-L508 HydrophobicContact CZ-CD2 4.38Å
394	T	83.7	Confident	83.6	Confident	6 Å²	6	66.8 Å²	66.8	4%	0.037	36%	0.361	C	S	.	.			trans	-129.9	149.7	175.1	60.4	0	0	0	0	110.6	D383 S387 E390 R392 E501	D383-T394 PolarHBondContact N-O 3.11Å; D383-T394 PolarHBondContact O-OG1 2.93Å; S387-T394 WeakPolarHBondContact CA-OG1 3.35Å; S387-T394 PolarHBondContact N-OG1 3.42Å; S387-T394 PolarHBondContact OG-N 2.84Å; S387-T394 PolarHBondContact OG-O 3.42Å; S387-T394 PolarHBondContact OG-OG1 2.83Å; E390-T394 HydrophobicContact CB-CG2 4.25Å; E390-T394 HydrophobicContact CG-CG2 4.3Å; R392-T394 PolarHBondContact O-N 2.98Å; T394-E501 WeakPolarHBondContact CA-OE1 3.34Å
395	V	86.6	Confident	83.6	Confident	1 Å²	1	68.7 Å²	68.7	1%	0.006	37%	0.37	C	S	.	.	B	Isolated β-bridge	trans	-101.6	146.5	-178.8	-58.5	0	0	0	0	111.6	V381 F393 I399 I403 K407 E501 L504	V381-V395 WeakPolarHBondContact O-CA 3.05Å; F393-V395 HydrophobicContact CD1-CG1 4.41Å; F393-V395 HydrophobicContact CE1-CG1 3.62Å; F393-V395 HydrophobicContact CZ-CG1 4.32Å; V395-I399 HydrophobicContact CB-CD1 3.85Å; V395-I403 HydrophobicContact CG2-CD1 4.08Å; V395-I403 HydrophobicContact CG2-CG2 4.17Å; V395-K407 PolarHBondContact O-NZ 3.37Å; V395-E501 HydrophobicContact CG1-CG 4.2Å; V395-E501 HydrophobicContact CG2-CG 4.03Å; V395-E501 PolarHBondContact N-OE1 2.85Å; V395-E501 VanDerWaalsContact N-OE1 3.13Å; V395-L504 HydrophobicContact CG1-CB 4.29Å; V395-L504 HydrophobicContact CG1-CD1 3.94Å; V395-L504 HydrophobicContact CG2-CD1 4.35Å
396	L	87.3	Confident	83.7	Confident	51 Å²	51	61.6 Å²	61.6	27%	0.267	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-63	154.5	175	-71.1	165.9	0	0	0	112.1	G379 V381 D383 I399	G379-L396 WeakPolarHBondContact O-CD1 3.42Å; V381-L396 PolarHBondContact O-N 3.1Å; V381-L396 VanDerWaalsContact O-N 3.07Å; D383-L396 HydrophobicContact CB-CD2 3.76Å; D383-L396 HydrophobicContact CB-CG 3.96Å; L396-I399 HydrophobicContact CB-CD1 3.78Å; L396-I399 HydrophobicContact CB-CG1 4.47Å; L396-I399 VanDerWaalsContact N-CD1 3.34Å; L396-I399 WeakPolarHBondContact O-CD1 3.46Å; L396-I399 WeakPolarHBondContact O-CG1 3.47Å
397	P	81.4	Confident	83.8	Confident	84 Å²	84	63 Å²	63	55%	0.545	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	148.9	174.1	-21.6	32.9	0	0	0	112.8	I399	P397-I399 VanDerWaalsContact C-N 3.33Å
398	N	81.3	Confident	83.8	Confident	146 Å²	146	71.1 Å²	71.1	78%	0.781	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	14.2	-179.7	-44.1	-77.9	0	0	0	115.9	D404	N398-D404 VanDerWaalsContact CA-OD2 3.3Å; N398-D404 WeakPolarHBondContact CA-OD2 3.28Å; N398-D404 PolarHBondContact N-OD2 3.49Å
399	I	82.5	Confident	83.7	Confident	56 Å²	56	72.3 Å²	72.3	29%	0.287	37%	0.365	S	S	.	.	S	Bend	trans	-81.7	-49.5	169.5	-63.4	163	0	0	0	109.9	K380 V381 V395 L396 P397 L504	K380-I399 WeakPolarHBondContact O-CD1 3.36Å; V381-I399 VanDerWaalsContact CA-CD1 3.4Å; V381-I399 HydrophobicContact CB-CD1 4.3Å; V381-I399 HydrophobicContact CG1-CD1 4.27Å; V381-I399 WeakPolarHBondContact O-CD1 3.32Å; V395-I399 HydrophobicContact CB-CD1 3.85Å; L396-I399 HydrophobicContact CB-CD1 3.78Å; L396-I399 HydrophobicContact CB-CG1 4.47Å; L396-I399 VanDerWaalsContact N-CD1 3.34Å; L396-I399 WeakPolarHBondContact O-CD1 3.46Å; L396-I399 WeakPolarHBondContact O-CG1 3.47Å; P397-I399 VanDerWaalsContact C-N 3.33Å; I399-L504 HydrophobicContact CG2-CD1 4.4Å
400	D	85.8	Confident	83.7	Confident	39 Å²	39	70.6 Å²	70.6	21%	0.209	34%	0.344	C	S	.	.			trans	-129.6	108.2	-179.5	-168.3	-40.6	0	0	0	109.2	E402 I403 D404 L504	D400-E402 PolarHBondContact O-N 2.88Å; D400-E402 WeakPolarHBondContact OD1-CA 3.15Å; D400-E402 VanDerWaalsContact OD1-CB 3.24Å; D400-E402 WeakPolarHBondContact OD1-CB 3.48Å; D400-E402 PolarHBondContact OD1-N 3.4Å; D400-I403 HydrophobicContact CB-CB 4.11Å; D400-I403 HydrophobicContact CB-CD1 3.76Å; D400-I403 HydrophobicContact CB-CG1 3.87Å; D400-I403 PolarHBondContact O-N 3.25Å; D400-I403 PolarHBondContact OD1-N 2.99Å; D400-D404 PolarHBondContact O-N 2.66Å; D400-D404 VanDerWaalsContact O-N 3.09Å; D400-L504 HydrophobicContact CB-CD1 4.13Å
401	P	86.8	Confident	83.8	Confident	102 Å²	102	72.1 Å²	72.1	66%	0.662	35%	0.353	S	S	*	.	H	α-helix	trans	-57.5	-29.2	179.3	-25.3	34.3	0	0	0	113.9	E405	P401-E405 WeakPolarHBondContact O-CB 3.31Å; P401-E405 PolarHBondContact O-N 3.45Å
402	E	87	Confident	83.8	Confident	93 Å²	93	66.6 Å²	66.6	44%	0.435	33%	0.331	S	S	.	.	H	α-helix	trans	-72.7	-44.2	-178.9	-159.4	-168.2	138.4	0	0	110.7	D400 D404 E405 K406 Q500	D400-E402 PolarHBondContact O-N 2.88Å; D400-E402 WeakPolarHBondContact OD1-CA 3.15Å; D400-E402 VanDerWaalsContact OD1-CB 3.24Å; D400-E402 WeakPolarHBondContact OD1-CB 3.48Å; D400-E402 PolarHBondContact OD1-N 3.4Å; E402-D404 VanDerWaalsContact C-N 3.32Å; E402-D404 PolarHBondContact O-N 3.21Å; E402-E405 PolarHBondContact O-N 3.18Å; E402-K406 WeakPolarHBondContact O-CG 3.24Å; E402-K406 PolarHBondContact O-N 3.48Å; E402-K406 VanDerWaalsContact OE1-CE 3.25Å; E402-K406 WeakPolarHBondContact OE1-CE 3.46Å; E402-K406 IonicContact OE1-NZ 2.71Å; E402-K406 PolarHBondContact OE1-NZ 3.15Å; E402-Q500 PolarHBondContact OE1-NE2 3.39Å; E402-Q500 PolarHBondContact OE2-NE2 2.97Å
403	I	85.4	Confident	83.9	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-62.3	-43.3	174.8	-61.4	178.1	0	0	0	110.2	V395 D400 E405 K406 K407 I497 Q500 E501 L504	V395-I403 HydrophobicContact CG2-CD1 4.08Å; V395-I403 HydrophobicContact CG2-CG2 4.17Å; D400-I403 HydrophobicContact CB-CB 4.11Å; D400-I403 HydrophobicContact CB-CD1 3.76Å; D400-I403 HydrophobicContact CB-CG1 3.87Å; D400-I403 PolarHBondContact O-N 3.25Å; D400-I403 PolarHBondContact OD1-N 2.99Å; I403-E405 VanDerWaalsContact C-N 3.34Å; I403-E405 PolarHBondContact O-N 2.93Å; I403-K406 PolarHBondContact O-N 3.26Å; I403-K407 HydrophobicContact CG2-CD 4.08Å; I403-K407 HydrophobicContact CG2-CG 4.25Å; I403-K407 WeakPolarHBondContact O-CB 3.31Å; I403-K407 WeakPolarHBondContact O-CG 3.43Å; I403-K407 PolarHBondContact O-N 2.72Å; I403-I497 HydrophobicContact CG2-CG2 4.34Å; I403-Q500 HydrophobicContact CD1-CB 3.76Å; I403-Q500 HydrophobicContact CG1-CB 3.84Å; I403-E501 HydrophobicContact CD1-CG 4.01Å; I403-E501 HydrophobicContact CG2-CG 4.33Å; I403-L504 HydrophobicContact CD1-CD1 3.47Å; I403-L504 VanDerWaalsContact CD1-CD1 3.47Å; I403-L504 HydrophobicContact CD1-CG 4.5Å
404	D	86.5	Confident	83.7	Confident	22 Å²	22	67 Å²	67	12%	0.118	34%	0.344	C	S	.	.	H	α-helix	trans	-62.8	-40.3	179	-73.7	-19.8	0	0	0	112.2	N398 D400 E402 R408	N398-D404 VanDerWaalsContact CA-OD2 3.3Å; N398-D404 WeakPolarHBondContact CA-OD2 3.28Å; N398-D404 PolarHBondContact N-OD2 3.49Å; D400-D404 PolarHBondContact O-N 2.66Å; D400-D404 VanDerWaalsContact O-N 3.09Å; E402-D404 VanDerWaalsContact C-N 3.32Å; E402-D404 PolarHBondContact O-N 3.21Å; D404-R408 VanDerWaalsContact O-CB 3.29Å; D404-R408 WeakPolarHBondContact O-CB 3.38Å; D404-R408 PolarHBondContact O-N 3.1Å
405	E	86.5	Confident	83.7	Confident	87 Å²	87	70.8 Å²	70.8	41%	0.407	37%	0.371	S	S	.	.	H	α-helix	trans	-63.3	-44.5	174.8	-172.2	178.6	172.8	0	0	111.1	P401 E402 I403 R408 R409	P401-E405 WeakPolarHBondContact O-CB 3.31Å; P401-E405 PolarHBondContact O-N 3.45Å; E402-E405 PolarHBondContact O-N 3.18Å; I403-E405 VanDerWaalsContact C-N 3.34Å; I403-E405 PolarHBondContact O-N 2.93Å; E405-R408 WeakPolarHBondContact O-CB 3.46Å; E405-R408 PolarHBondContact O-N 3.03Å; E405-R409 WeakPolarHBondContact O-CG 3.22Å; E405-R409 PolarHBondContact O-N 2.91Å; E405-R409 IonicContact OE1-CZ 2.93Å; E405-R409 IonicContact OE1-NE 3.2Å; E405-R409 PolarHBondContact OE1-NE 2.79Å; E405-R409 IonicContact OE1-NH2 2.87Å; E405-R409 PolarHBondContact OE1-NH2 3.25Å
406	K	85	Confident	83.5	Confident	19 Å²	19	75.6 Å²	75.6	8%	0.083	39%	0.392	C	S	.	.	H	α-helix	trans	-63.8	-45.6	177.2	-70	178.6	-172.8	179.2	0	112.1	E402 I403 R408 R409 L410 L493 E496 I497	E402-K406 WeakPolarHBondContact O-CG 3.24Å; E402-K406 PolarHBondContact O-N 3.48Å; E402-K406 VanDerWaalsContact OE1-CE 3.25Å; E402-K406 WeakPolarHBondContact OE1-CE 3.46Å; E402-K406 IonicContact OE1-NZ 2.71Å; E402-K406 PolarHBondContact OE1-NZ 3.15Å; I403-K406 PolarHBondContact O-N 3.26Å; K406-R408 VanDerWaalsContact C-N 3.31Å; K406-R408 PolarHBondContact O-N 3.42Å; K406-R409 WeakPolarHBondContact O-CB 3.48Å; K406-R409 PolarHBondContact O-N 3.45Å; K406-L410 PolarHBondContact O-N 2.88Å; K406-L493 HydrophobicContact CB-CD1 3.62Å; K406-L493 HydrophobicContact CD-CD1 4.16Å; K406-L493 HydrophobicContact CG-CD1 3.65Å; K406-E496 HydrophobicContact CD-CB 4.32Å; K406-E496 WeakPolarHBondContact CE-OE2 3.45Å; K406-E496 IonicContact NZ-OE2 3.61Å; K406-E496 PolarHBondContact NZ-OE2 2.7Å; K406-I497 HydrophobicContact CB-CD1 3.81Å; K406-I497 HydrophobicContact CB-CG1 3.56Å; K406-I497 HydrophobicContact CD-CG1 4.18Å; K406-I497 HydrophobicContact CG-CG1 4.5Å
407	K	83.6	Confident	83.4	Confident	48 Å²	48	74.2 Å²	74.2	21%	0.209	39%	0.385	C	S	.	.	H	α-helix	trans	-59.6	-40.2	173.9	-75.7	-176.8	179.2	179	0	111.5	V395 I403 L410 M411 I497 E501	V395-K407 PolarHBondContact O-NZ 3.37Å; I403-K407 HydrophobicContact CG2-CD 4.08Å; I403-K407 HydrophobicContact CG2-CG 4.25Å; I403-K407 WeakPolarHBondContact O-CB 3.31Å; I403-K407 WeakPolarHBondContact O-CG 3.43Å; I403-K407 PolarHBondContact O-N 2.72Å; K407-L410 WeakPolarHBondContact O-CB 3.5Å; K407-L410 PolarHBondContact O-N 3.44Å; K407-M411 WeakPolarHBondContact O-CG 3.25Å; K407-M411 PolarHBondContact O-N 3.2Å; K407-I497 HydrophobicContact CG-CD1 4.22Å; K407-I497 HydrophobicContact CG-CG2 4.46Å; K407-E501 WeakPolarHBondContact CE-OE1 3.24Å; K407-E501 IonicContact NZ-OE1 3.82Å; K407-E501 PolarHBondContact NZ-OE1 3.45Å
408	R	84.6	Confident	83.6	Confident	171 Å²	171	74.9 Å²	74.9	65%	0.645	39%	0.388	S	S	*	.	H	α-helix	trans	-64.6	-42.2	176.1	-168.5	-175.5	-56.7	131.6	7.5	112.2	D404 E405 K406 L410 M411 G412	D404-R408 VanDerWaalsContact O-CB 3.29Å; D404-R408 WeakPolarHBondContact O-CB 3.38Å; D404-R408 PolarHBondContact O-N 3.1Å; E405-R408 WeakPolarHBondContact O-CB 3.46Å; E405-R408 PolarHBondContact O-N 3.03Å; K406-R408 VanDerWaalsContact C-N 3.31Å; K406-R408 PolarHBondContact O-N 3.42Å; R408-L410 VanDerWaalsContact C-N 3.29Å; R408-L410 PolarHBondContact O-N 2.91Å; R408-M411 PolarHBondContact O-N 2.88Å; R408-G412 PolarHBondContact O-N 2.96Å; R408-G412 VanDerWaalsContact O-N 3.13Å
409	R	81.4	Confident	83.7	Confident	141 Å²	141	71.3 Å²	71.3	53%	0.532	37%	0.366	S	S	.	.	H	α-helix	trans	-61.2	-40.5	173.4	-70.3	175.5	-173.6	-168.6	3.6	111	E405 K406 G412 L413 L493	E405-R409 WeakPolarHBondContact O-CG 3.22Å; E405-R409 PolarHBondContact O-N 2.91Å; E405-R409 IonicContact OE1-CZ 2.93Å; E405-R409 IonicContact OE1-NE 3.2Å; E405-R409 PolarHBondContact OE1-NE 2.79Å; E405-R409 IonicContact OE1-NH2 2.87Å; E405-R409 PolarHBondContact OE1-NH2 3.25Å; K406-R409 WeakPolarHBondContact O-CB 3.48Å; K406-R409 PolarHBondContact O-N 3.45Å; R409-G412 PolarHBondContact O-N 3.04Å; R409-L413 PolarHBondContact O-N 3.06Å; R409-L493 HydrophobicContact CB-CD2 4.17Å
410	L	79.3	Confident	83.8	Confident	47 Å²	47	69 Å²	69	25%	0.246	36%	0.355	C	S	.	.	H	α-helix	trans	-65.7	-41.8	176.9	-174.9	62.2	0	0	0	112.6	K406 K407 R408 G412 L413 L493 H494 I497	K406-L410 PolarHBondContact O-N 2.88Å; K407-L410 WeakPolarHBondContact O-CB 3.5Å; K407-L410 PolarHBondContact O-N 3.44Å; R408-L410 VanDerWaalsContact C-N 3.29Å; R408-L410 PolarHBondContact O-N 2.91Å; L410-G412 VanDerWaalsContact C-N 3.27Å; L410-G412 PolarHBondContact O-N 2.86Å; L410-L413 HydrophobicContact CD1-CD2 3.85Å; L410-L413 WeakPolarHBondContact O-CB 3.31Å; L410-L413 PolarHBondContact O-N 3.17Å; L410-L413 VanDerWaalsContact O-N 3.08Å; L410-L493 HydrophobicContact CB-CD2 4.01Å; L410-L493 HydrophobicContact CD1-CD2 4.43Å; L410-H494 WeakPolarHBondContact CD1-CE1 3.35Å; L410-H494 WeakPolarHBondContact CD1-NE2 3.34Å; L410-I497 HydrophobicContact CD2-CD1 4.32Å
411	M	81.2	Confident	83.8	Confident	163 Å²	163	67.7 Å²	67.7	80%	0.803	35%	0.349	S	S	*	.	H	α-helix	trans	-64.2	-30.5	175	-72.8	-166.5	175.8	0	0	113	K407 R408 L413 P414	K407-M411 WeakPolarHBondContact O-CG 3.25Å; K407-M411 PolarHBondContact O-N 3.2Å; R408-M411 PolarHBondContact O-N 2.88Å; M411-L413 VanDerWaalsContact C-N 3.31Å; M411-P414 WeakPolarHBondContact O-CD 3.26Å
412	G	80.4	Confident	83.7	Confident	33 Å²	33	68 Å²	68	34%	0.34	34%	0.337	S	S	.	.	H	α-helix	trans	-75.1	-18.7	173.7	0	0	0	0	0	114	R408 R409 L410 S415 F416	R408-G412 PolarHBondContact O-N 2.96Å; R408-G412 VanDerWaalsContact O-N 3.13Å; R409-G412 PolarHBondContact O-N 3.04Å; L410-G412 VanDerWaalsContact C-N 3.27Å; L410-G412 PolarHBondContact O-N 2.86Å; G412-S415 PolarHBondContact O-N 3.32Å; G412-S415 PolarHBondContact O-OG 2.96Å; G412-F416 PolarHBondContact O-N 3.2Å
413	L	81.7	Confident	83.6	Confident	15 Å²	15	67.8 Å²	67.8	8%	0.079	33%	0.334	C	S	.	.	H	α-helix	trans	-59.4	-45	-171.1	-171.9	58.6	0	0	0	113.9	R409 L410 M411 S415 F416 L417 F445 L490	R409-L413 PolarHBondContact O-N 3.06Å; L410-L413 HydrophobicContact CD1-CD2 3.85Å; L410-L413 WeakPolarHBondContact O-CB 3.31Å; L410-L413 PolarHBondContact O-N 3.17Å; L410-L413 VanDerWaalsContact O-N 3.08Å; M411-L413 VanDerWaalsContact C-N 3.31Å; L413-S415 VanDerWaalsContact C-N 3.3Å; L413-S415 PolarHBondContact O-N 3.37Å; L413-F416 HydrophobicContact CD1-CD1 4.15Å; L413-F416 CarbonylContact O-C 3.59Å; L413-F416 WeakPolarHBondContact O-CB 3.5Å; L413-F416 PolarHBondContact O-N 3.02Å; L413-F416 VanDerWaalsContact O-N 3.1Å; L413-L417 HydrophobicContact CD1-CD1 4.36Å; L413-L417 HydrophobicContact CD1-CD2 3.94Å; L413-L417 HydrophobicContact CD1-CG 3.86Å; L413-L417 HydrophobicContact CG-CD1 3.95Å; L413-L417 HydrophobicContact CG-CD2 4.45Å; L413-L417 HydrophobicContact CG-CG 3.92Å; L413-L417 WeakPolarHBondContact O-CB 3.33Å; L413-L417 VanDerWaalsContact O-CG 3.3Å; L413-L417 WeakPolarHBondContact O-CG 3.49Å; L413-L417 PolarHBondContact O-N 2.83Å; L413-F445 HydrophobicContact CD1-CE1 4.36Å; L413-F445 HydrophobicContact CD1-CZ 4.38Å; L413-F445 HydrophobicContact CD2-CE1 4.04Å; L413-F445 HydrophobicContact CD2-CZ 3.93Å; L413-L490 HydrophobicContact CD1-CD1 3.7Å
414	P	80.5	Confident	83.5	Confident	83 Å²	83	68.7 Å²	68.7	54%	0.539	34%	0.339	S	S	.	.	H	α-helix	trans	-58.7	-40.9	-179.8	-25.3	35.5	0	0	0	113.2	M411 F416 L417 T418	M411-P414 WeakPolarHBondContact O-CD 3.26Å; P414-F416 VanDerWaalsContact C-N 3.34Å; P414-L417 PolarHBondContact O-N 3.42Å; P414-T418 PolarHBondContact O-N 2.92Å; P414-T418 PolarHBondContact O-OG1 3.13Å
415	S	83.3	Confident	83.3	Confident	86 Å²	86	70.4 Å²	70.4	60%	0.601	35%	0.348	S	S	*	.	H	α-helix	trans	-66.7	-39.2	177.9	72.7	0	0	0	0	111.4	G412 L413 T418 E419	G412-S415 PolarHBondContact O-N 3.32Å; G412-S415 PolarHBondContact O-OG 2.96Å; L413-S415 VanDerWaalsContact C-N 3.3Å; L413-S415 PolarHBondContact O-N 3.37Å; S415-T418 PolarHBondContact O-N 2.99Å; S415-E419 PolarHBondContact O-N 2.83Å
416	F	82.8	Confident	83.2	Confident	102 Å²	102	72.4 Å²	72.4	45%	0.447	36%	0.357	S	S	.	.	H	α-helix	trans	-68.3	-44.2	176.5	-178.5	-116.3	0	0	0	112.4	G412 L413 P414 T418 E419 V420 L486 L490	G412-F416 PolarHBondContact O-N 3.2Å; L413-F416 HydrophobicContact CD1-CD1 4.15Å; L413-F416 CarbonylContact O-C 3.59Å; L413-F416 WeakPolarHBondContact O-CB 3.5Å; L413-F416 PolarHBondContact O-N 3.02Å; L413-F416 VanDerWaalsContact O-N 3.1Å; P414-F416 VanDerWaalsContact C-N 3.34Å; F416-T418 VanDerWaalsContact C-N 3.27Å; F416-T418 PolarHBondContact O-N 3.23Å; F416-E419 PolarHBondContact O-N 2.99Å; F416-V420 HydrophobicContact CD1-CG2 4.4Å; F416-V420 HydrophobicContact CE1-CG2 4.17Å; F416-V420 HydrophobicContact CE2-CG2 4.32Å; F416-V420 HydrophobicContact CZ-CG2 4.11Å; F416-V420 WeakPolarHBondContact O-CG2 3.39Å; F416-V420 PolarHBondContact O-N 2.97Å; F416-L486 HydrophobicContact CD1-CD2 4.33Å; F416-L486 HydrophobicContact CE1-CD2 3.38Å; F416-L486 HydrophobicContact CZ-CD2 4.06Å; F416-L490 HydrophobicContact CE1-CD1 4.36Å
417	L	84.6	Confident	82.9	Confident	21 Å²	21	77.2 Å²	77.2	11%	0.11	38%	0.383	C	S	.	.	H	α-helix	trans	-61.8	-35.3	175.7	-68.2	-176.5	0	0	0	111.9	L413 P414 V420 A421 V437 F445 L486	L413-L417 HydrophobicContact CD1-CD1 4.36Å; L413-L417 HydrophobicContact CD1-CD2 3.94Å; L413-L417 HydrophobicContact CD1-CG 3.86Å; L413-L417 HydrophobicContact CG-CD1 3.95Å; L413-L417 HydrophobicContact CG-CD2 4.45Å; L413-L417 HydrophobicContact CG-CG 3.92Å; L413-L417 WeakPolarHBondContact O-CB 3.33Å; L413-L417 VanDerWaalsContact O-CG 3.3Å; L413-L417 WeakPolarHBondContact O-CG 3.49Å; L413-L417 PolarHBondContact O-N 2.83Å; P414-L417 PolarHBondContact O-N 3.42Å; L417-V420 PolarHBondContact O-N 3.03Å; L417-A421 VanDerWaalsContact O-CB 3.28Å; L417-A421 WeakPolarHBondContact O-CB 3.38Å; L417-A421 PolarHBondContact O-N 2.76Å; L417-V437 HydrophobicContact CB-CB 4.39Å; L417-V437 HydrophobicContact CD2-CB 4.29Å; L417-V437 HydrophobicContact CD2-CG1 3.76Å; L417-F445 HydrophobicContact CD1-CD1 4.47Å; L417-F445 HydrophobicContact CD1-CE1 4.09Å; L417-F445 HydrophobicContact CD2-CD1 3.89Å; L417-F445 HydrophobicContact CD2-CE1 3.8Å; L417-L486 HydrophobicContact CD2-CD1 4.1Å
418	T	84.5	Confident	82.7	Confident	99 Å²	99	76.1 Å²	76.1	61%	0.607	38%	0.38	S	S	*	.	H	α-helix	trans	-64.1	-43.8	175.1	-54.5	0	0	0	0	111.3	P414 S415 F416 A421 R422	P414-T418 PolarHBondContact O-N 2.92Å; P414-T418 PolarHBondContact O-OG1 3.13Å; S415-T418 PolarHBondContact O-N 2.99Å; F416-T418 VanDerWaalsContact C-N 3.27Å; F416-T418 PolarHBondContact O-N 3.23Å; T418-A421 PolarHBondContact O-N 3.22Å; T418-R422 WeakPolarHBondContact O-CB 3.31Å; T418-R422 PolarHBondContact O-N 3.31Å
419	E	85.3	Confident	82.1	Confident	71 Å²	71	71.3 Å²	71.3	33%	0.332	37%	0.367	S	S	.	.	H	α-helix	trans	-68.1	-36.8	177	178.1	58.4	-168	0	0	112.1	S415 F416 R422 K423	S415-E419 PolarHBondContact O-N 2.83Å; F416-E419 PolarHBondContact O-N 2.99Å; E419-R422 IonicContact OE1-CZ 3.97Å; E419-R422 IonicContact OE1-NE 3.27Å; E419-R422 IonicContact OE1-NH2 3.84Å; E419-R422 PolarHBondContact OE1-NH2 2.95Å; E419-R422 IonicContact OE2-CZ 3.89Å; E419-R422 IonicContact OE2-NE 3.08Å; E419-R422 PolarHBondContact OE2-NE 3.3Å; E419-R422 IonicContact OE2-NH2 3.07Å; E419-R422 PolarHBondContact OE2-NH2 3.41Å; E419-K423 WeakPolarHBondContact O-CG 3.24Å; E419-K423 PolarHBondContact O-N 3.18Å; E419-K423 VanDerWaalsContact O-N 3.1Å; E419-K423 WeakPolarHBondContact OE1-CE 3.34Å; E419-K423 IonicContact OE1-NZ 2.66Å
420	V	83.9	Confident	81.7	Confident	8 Å²	8	70.3 Å²	70.3	5%	0.048	38%	0.382	C	S	.	.	H	α-helix	trans	-62.7	-48	171.8	170.5	0	0	0	0	110.5	F416 L417 R422 K423 E424 V437 R482 L486	F416-V420 HydrophobicContact CD1-CG2 4.4Å; F416-V420 HydrophobicContact CE1-CG2 4.17Å; F416-V420 HydrophobicContact CE2-CG2 4.32Å; F416-V420 HydrophobicContact CZ-CG2 4.11Å; F416-V420 WeakPolarHBondContact O-CG2 3.39Å; F416-V420 PolarHBondContact O-N 2.97Å; L417-V420 PolarHBondContact O-N 3.03Å; V420-R422 VanDerWaalsContact C-N 3.29Å; V420-R422 PolarHBondContact O-N 3.47Å; V420-K423 PolarHBondContact O-N 3.38Å; V420-E424 HydrophobicContact CG1-CG 4.17Å; V420-E424 WeakPolarHBondContact O-CG 3.24Å; V420-E424 PolarHBondContact O-N 2.85Å; V420-V437 HydrophobicContact CG1-CG2 4.02Å; V420-R482 HydrophobicContact CG1-CG 4.25Å; V420-L486 HydrophobicContact CG1-CD1 4.08Å; V420-L486 HydrophobicContact CG2-CD1 4.38Å
421	A	85.3	Confident	81.6	Confident	10 Å²	10	76 Å²	76	8%	0.083	40%	0.4	C	S	.	.	H	α-helix	trans	-59.6	-41.4	179.6	0	0	0	0	0	111.5	L417 T418 E424 L425 V437	L417-A421 VanDerWaalsContact O-CB 3.28Å; L417-A421 WeakPolarHBondContact O-CB 3.38Å; L417-A421 PolarHBondContact O-N 2.76Å; T418-A421 PolarHBondContact O-N 3.22Å; A421-E424 PolarHBondContact O-N 3.3Å; A421-L425 WeakPolarHBondContact O-CB 3.5Å; A421-L425 PolarHBondContact O-N 2.97Å; A421-V437 HydrophobicContact CB-CG2 3.99Å
422	R	85.4	Confident	81.3	Confident	109 Å²	109	69 Å²	69	41%	0.411	37%	0.365	S	S	.	.	H	α-helix	trans	-60.2	-46.9	175.2	-170.4	-171.1	68.9	70.1	3.4	111.8	T418 E419 V420 L425 E426	T418-R422 WeakPolarHBondContact O-CB 3.31Å; T418-R422 PolarHBondContact O-N 3.31Å; E419-R422 IonicContact OE1-CZ 3.97Å; E419-R422 IonicContact OE1-NE 3.27Å; E419-R422 IonicContact OE1-NH2 3.84Å; E419-R422 PolarHBondContact OE1-NH2 2.95Å; E419-R422 IonicContact OE2-CZ 3.89Å; E419-R422 IonicContact OE2-NE 3.08Å; E419-R422 PolarHBondContact OE2-NE 3.3Å; E419-R422 IonicContact OE2-NH2 3.07Å; E419-R422 PolarHBondContact OE2-NH2 3.41Å; V420-R422 VanDerWaalsContact C-N 3.29Å; V420-R422 PolarHBondContact O-N 3.47Å; R422-L425 WeakPolarHBondContact O-CB 3.33Å; R422-L425 PolarHBondContact O-N 2.85Å; R422-E426 IonicContact CZ-OE1 2.67Å; R422-E426 IonicContact NH1-OE1 3.75Å; R422-E426 PolarHBondContact NH1-OE1 2.64Å; R422-E426 IonicContact NH1-OE2 3.21Å; R422-E426 PolarHBondContact O-N 3.45Å
423	K	84.4	Confident	81.2	Confident	88 Å²	88	71.9 Å²	71.9	38%	0.383	38%	0.378	S	S	.	.	H	α-helix	trans	-69.9	-32.7	178.2	-74.1	176.1	174.9	164.9	0	113.3	E419 V420 N427	E419-K423 WeakPolarHBondContact O-CG 3.24Å; E419-K423 PolarHBondContact O-N 3.18Å; E419-K423 VanDerWaalsContact O-N 3.1Å; E419-K423 WeakPolarHBondContact OE1-CE 3.34Å; E419-K423 IonicContact OE1-NZ 2.66Å; V420-K423 PolarHBondContact O-N 3.38Å; K423-N427 PolarHBondContact O-ND2 2.88Å
424	E	82.9	Confident	81.2	Confident	19 Å²	19	74.2 Å²	74.2	9%	0.089	40%	0.396	C	S	.	.	H	α-helix	trans	-69.8	-40.1	173.3	-68.7	-68.6	113.9	0	0	110.1	V420 A421 E426 N427 L428 L447 S480 R482	V420-E424 HydrophobicContact CG1-CG 4.17Å; V420-E424 WeakPolarHBondContact O-CG 3.24Å; V420-E424 PolarHBondContact O-N 2.85Å; A421-E424 PolarHBondContact O-N 3.3Å; E424-E426 VanDerWaalsContact C-N 3.28Å; E424-E426 PolarHBondContact O-N 3.42Å; E424-N427 WeakPolarHBondContact O-CB 3.3Å; E424-N427 PolarHBondContact O-N 2.93Å; E424-L428 WeakPolarHBondContact O-CG 3.38Å; E424-L428 PolarHBondContact O-N 3.24Å; E424-L428 VanDerWaalsContact O-N 3.15Å; E424-L447 HydrophobicContact CB-CD1 3.9Å; E424-L447 HydrophobicContact CB-CD2 4.38Å; E424-L447 HydrophobicContact CG-CD1 4.03Å; E424-S480 VanDerWaalsContact OE2-CB 3.28Å; E424-S480 WeakPolarHBondContact OE2-CB 2.99Å; E424-S480 PolarHBondContact OE2-OG 2.7Å; E424-R482 WeakPolarHBondContact OE1-CB 3.02Å; E424-R482 WeakPolarHBondContact OE1-CD 3.3Å; E424-R482 IonicContact OE1-CZ 2.74Å; E424-R482 IonicContact OE1-NE 3.96Å; E424-R482 PolarHBondContact OE1-NE 3.34Å; E424-R482 IonicContact OE1-NH1 3.32Å; E424-R482 PolarHBondContact OE1-NH1 3.2Å; E424-R482 IonicContact OE1-NH2 2.76Å
425	L	83.7	Confident	81.3	Confident	59 Å²	59	71.1 Å²	71.1	31%	0.309	38%	0.376	S	S	.	.	H	α-helix	trans	-58.7	-37.2	176.3	-174.9	64.9	0	0	0	112.6	A421 R422 N427 L428 I432 C435	A421-L425 WeakPolarHBondContact O-CB 3.5Å; A421-L425 PolarHBondContact O-N 2.97Å; R422-L425 WeakPolarHBondContact O-CB 3.33Å; R422-L425 PolarHBondContact O-N 2.85Å; L425-N427 PolarHBondContact O-N 3.04Å; L425-L428 PolarHBondContact O-N 3.44Å; L425-I432 HydrophobicContact CD1-CG2 4.13Å; L425-C435 HydrophobicContact CB-CB 4.3Å; L425-C435 HydrophobicContact CD1-CB 4.08Å
426	E	83.3	Confident	81.4	Confident	128 Å²	128	69.2 Å²	69.2	60%	0.598	36%	0.363	S	S	*	.	H	α-helix	trans	-63	-27.5	174.4	-72	172.5	174.9	0	0	113.6	R422 E424	R422-E426 IonicContact CZ-OE1 2.67Å; R422-E426 IonicContact NH1-OE1 3.75Å; R422-E426 PolarHBondContact NH1-OE1 2.64Å; R422-E426 IonicContact NH1-OE2 3.21Å; R422-E426 PolarHBondContact O-N 3.45Å; E424-E426 VanDerWaalsContact C-N 3.28Å; E424-E426 PolarHBondContact O-N 3.42Å
427	N	79.7	Confident	81.6	Confident	120 Å²	120	65.1 Å²	65.1	64%	0.642	35%	0.346	S	S	*	.	H	α-helix	trans	-90.6	-16	179.2	-69	-27.9	0	0	0	113.2	K423 E424 L425	K423-N427 PolarHBondContact O-ND2 2.88Å; E424-N427 WeakPolarHBondContact O-CB 3.3Å; E424-N427 PolarHBondContact O-N 2.93Å; L425-N427 PolarHBondContact O-N 3.04Å
428	L	78.6	Confident	81.6	Confident	26 Å²	26	66.6 Å²	66.6	14%	0.136	35%	0.353	C	S	.	.	S	Bend	trans	-80.1	160.9	179.4	-69.7	173.3	0	0	0	111.2	E424 L425 S430 I432 C435 L447 I449 L466	E424-L428 WeakPolarHBondContact O-CG 3.38Å; E424-L428 PolarHBondContact O-N 3.24Å; E424-L428 VanDerWaalsContact O-N 3.15Å; L425-L428 PolarHBondContact O-N 3.44Å; L428-S430 PolarHBondContact O-N 3.49Å; L428-I432 HydrophobicContact CB-CD1 3.97Å; L428-I432 HydrophobicContact CD1-CD1 4.24Å; L428-I432 HydrophobicContact CD1-CG2 4.29Å; L428-I432 HydrophobicContact CD2-CD1 4.24Å; L428-I432 HydrophobicContact CG-CD1 4.36Å; L428-C435 HydrophobicContact CD1-CB 4.16Å; L428-L447 HydrophobicContact CD1-CD2 4.3Å; L428-I449 HydrophobicContact CD1-CD1 3.78Å; L428-I449 HydrophobicContact CD1-CG1 4.3Å; L428-I449 HydrophobicContact CD2-CD1 4.18Å; L428-L466 HydrophobicContact CD2-CD1 3.79Å
429	D	72.7	Confident	81.5	Confident	70 Å²	70	64.6 Å²	64.6	37%	0.374	34%	0.335	S	S	.	.			trans	-60	135.8	175	-170.9	-19.3	0	0	0	110.7	R431 I432	D429-R431 PolarHBondContact O-N 3.44Å; D429-R431 PolarHBondContact OD1-N 3.35Å; D429-R431 IonicContact OD1-NE 2.76Å; D429-R431 IonicContact OD2-CZ 3.12Å; D429-R431 IonicContact OD2-NE 2.79Å; D429-R431 PolarHBondContact OD2-NE 3.46Å; D429-R431 IonicContact OD2-NH2 2.67Å; D429-R431 PolarHBondContact OD2-NH2 3.07Å; D429-I432 WeakPolarHBondContact O-CB 3.35Å; D429-I432 PolarHBondContact O-N 2.94Å
430	S	71.7	Confident	81.4	Confident	120 Å²	120	63.6 Å²	63.6	84%	0.839	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.6	-20.5	175.4	61.4	0	0	0	0	115.8	L428 I432	L428-S430 PolarHBondContact O-N 3.49Å; S430-I432 VanDerWaalsContact C-N 3.28Å; S430-I432 PolarHBondContact O-N 3.34Å
431	R	76.8	Confident	80.8	Confident	167 Å²	167	67.5 Å²	67.5	63%	0.63	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-22.8	174.7	-65.6	-178.9	-73.9	168.2	0.5	113.5	D429 P433 L452	D429-R431 PolarHBondContact O-N 3.44Å; D429-R431 PolarHBondContact OD1-N 3.35Å; D429-R431 IonicContact OD1-NE 2.76Å; D429-R431 IonicContact OD2-CZ 3.12Å; D429-R431 IonicContact OD2-NE 2.79Å; D429-R431 PolarHBondContact OD2-NE 3.46Å; D429-R431 IonicContact OD2-NH2 2.67Å; D429-R431 PolarHBondContact OD2-NH2 3.07Å; R431-P433 WeakPolarHBondContact O-CD 3.38Å; R431-L452 HydrophobicContact CB-CD1 4.04Å; R431-L452 WeakPolarHBondContact O-CD2 3.44Å
432	I	76.3	Confident	80.3	Confident	15 Å²	15	75.9 Å²	75.9	8%	0.077	40%	0.399	C	S	.	.			trans	-84.8	115.5	-178.5	-67.4	163.2	0	0	0	109.1	L425 L428 D429 S430 I449 L452 I463	L425-I432 HydrophobicContact CD1-CG2 4.13Å; L428-I432 HydrophobicContact CB-CD1 3.97Å; L428-I432 HydrophobicContact CD1-CD1 4.24Å; L428-I432 HydrophobicContact CD1-CG2 4.29Å; L428-I432 HydrophobicContact CD2-CD1 4.24Å; L428-I432 HydrophobicContact CG-CD1 4.36Å; D429-I432 WeakPolarHBondContact O-CB 3.35Å; D429-I432 PolarHBondContact O-N 2.94Å; S430-I432 VanDerWaalsContact C-N 3.28Å; S430-I432 PolarHBondContact O-N 3.34Å; I432-I449 HydrophobicContact CB-CG2 4.48Å; I432-I449 HydrophobicContact CD1-CD1 4.35Å; I432-I449 HydrophobicContact CD1-CG2 4.08Å; I432-I449 HydrophobicContact CG1-CG2 4.05Å; I432-I449 HydrophobicContact CG2-CG2 3.62Å; I432-L452 HydrophobicContact CG1-CD1 4.37Å; I432-I463 HydrophobicContact CD1-CD1 4.39Å
433	P	78.4	Confident	80.2	Confident	93 Å²	93	73.5 Å²	73.5	60%	0.604	39%	0.394	S	S	*	.			trans	-77.8	-30.1	-171.3	29.6	-35.5	0	0	0	113.5	R431 P450	R431-P433 WeakPolarHBondContact O-CD 3.38Å; P433-P450 HydrophobicContact CG-CG 3.92Å
434	S	81.3	Confident	80.1	Confident	64 Å²	64	69.4 Å²	69.4	45%	0.448	38%	0.377	S	S	.	.			trans	-157.1	153.1	-174.3	62.1	0	0	0	0	110.3	P450	S434-P450 WeakPolarHBondContact O-CD 3.29Å
435	C	83.5	Confident	80.3	Confident	19 Å²	19	68.6 Å²	68.6	13%	0.128	37%	0.374	C	S	.	.			trans	-139.7	143.5	176.2	-170.5	0	0	0	0	109.6	L425 L428 L447	L425-C435 HydrophobicContact CB-CB 4.3Å; L425-C435 HydrophobicContact CD1-CB 4.08Å; L428-C435 HydrophobicContact CD1-CB 4.16Å; C435-L447 WeakPolarHBondContact SG-CD1 3.29Å; C435-L447 WeakPolarHBondContact SG-CG 3.42Å
436	S	85.1	Confident	80.6	Confident	46 Å²	46	65.8 Å²	65.8	32%	0.322	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	138.2	176.9	56.8	0	0	0	0	110	S448	S436-S448 PolarHBondContact N-O 2.9Å; S436-S448 WeakPolarHBondContact O-CA 3.4Å; S436-S448 PolarHBondContact O-N 3.26Å; S436-S448 PolarHBondContact OG-O 3.41Å
437	V	85.9	Confident	80.8	Confident	15 Å²	15	59.7 Å²	59.7	9%	0.091	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	124.4	171.6	-177.3	0	0	0	0	108	L417 V420 A421 F445 L446 L447	L417-V437 HydrophobicContact CB-CB 4.39Å; L417-V437 HydrophobicContact CD2-CB 4.29Å; L417-V437 HydrophobicContact CD2-CG1 3.76Å; V420-V437 HydrophobicContact CG1-CG2 4.02Å; A421-V437 HydrophobicContact CB-CG2 3.99Å; V437-F445 HydrophobicContact CG1-CD1 4.26Å; V437-L446 WeakPolarHBondContact CA-O 3.38Å; V437-L447 HydrophobicContact CG2-CD1 3.77Å
438	I	85.6	Confident	81.3	Confident	53 Å²	53	54.1 Å²	54.1	27%	0.272	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	153	177.9	65	168.5	0	0	0	109.7	I440 F445 L446 H477	I438-I440 HydrophobicContact CD1-CD1 3.88Å; I438-I440 HydrophobicContact CD1-CG1 4.05Å; I438-I440 HydrophobicContact CG1-CG1 4.49Å; I438-F445 CarbonylContact O-C 3.57Å; I438-F445 WeakPolarHBondContact O-CA 3.4Å; I438-L446 HydrophobicContact CG1-CB 4.13Å; I438-L446 PolarHBondContact N-O 2.86Å; I438-L446 PolarHBondContact O-N 3.06Å; I438-H477 WeakPolarHBondContact CD1-CE1 3.3Å; I438-H477 WeakPolarHBondContact CD1-ND1 3.39Å
439	Y	82.8	Confident	81.7	Confident	57 Å²	57	53 Å²	53	22%	0.224	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	127.6	170.7	175	-101.7	0	0	0	108.7	P441 F445 G491 H494	Y439-P441 HydrophobicContact CE1-CG 4.32Å; Y439-F445 HydrophobicContact CD2-CD1 4.1Å; Y439-F445 AromaticContact CD2-CD2 3.89Å; Y439-F445 HydrophobicContact CD2-CD2 3.89Å; Y439-F445 AromaticContact CD2-CE1 3.95Å; Y439-F445 HydrophobicContact CD2-CE1 3.95Å; Y439-F445 AromaticContact CD2-CE2 3.75Å; Y439-F445 HydrophobicContact CD2-CE2 3.75Å; Y439-F445 HydrophobicContact CD2-CG 4.07Å; Y439-F445 AromaticContact CD2-CZ 3.78Å; Y439-F445 HydrophobicContact CD2-CZ 3.78Å; Y439-F445 HydrophobicContact CE2-CD2 4.46Å; Y439-F445 HydrophobicContact CE2-CE2 4.18Å; Y439-F445 HydrophobicContact CE2-CZ 4.47Å; Y439-F445 HydrophobicContact CG-CD1 4.45Å; Y439-F445 HydrophobicContact CG-CE1 4.17Å; Y439-F445 HydrophobicContact CG-CZ 4.29Å; Y439-G491 PolarHBondContact OH-O 3.49Å; Y439-H494 AromaticContact CE1-ND1 3.84Å
440	I	81.1	Confident	82.3	Confident	49 Å²	49	51.4 Å²	51.4	25%	0.251	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	124.4	173	-59.2	-179.4	0	0	0	108	I438 L442 I443 G444 L446 F470	I438-I440 HydrophobicContact CD1-CD1 3.88Å; I438-I440 HydrophobicContact CD1-CG1 4.05Å; I438-I440 HydrophobicContact CG1-CG1 4.49Å; I440-L442 PolarHBondContact O-N 3.29Å; I440-I443 HydrophobicContact CB-CB 4.34Å; I440-I443 HydrophobicContact CG2-CB 4.44Å; I440-I443 HydrophobicContact CG2-CD1 3.96Å; I440-I443 HydrophobicContact CG2-CG1 4.23Å; I440-I443 PolarHBondContact O-N 2.83Å; I440-I443 VanDerWaalsContact O-N 3.16Å; I440-G444 PolarHBondContact N-O 2.96Å; I440-G444 PolarHBondContact O-N 2.96Å; I440-L446 HydrophobicContact CD1-CD1 3.85Å; I440-L446 HydrophobicContact CG1-CD1 4.34Å; I440-F470 HydrophobicContact CD1-CE1 4.29Å; I440-F470 HydrophobicContact CD1-CZ 3.59Å
441	P	73.2	Confident	82.9	Confident	90 Å²	90	49 Å²	49	58%	0.584	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	140.2	176.8	-27.3	34.7	0	0	0	112.2	Y439 I443	Y439-P441 HydrophobicContact CE1-CG 4.32Å; P441-I443 PolarHBondContact O-N 3.15Å
442	L	74.4	Confident	83.1	Confident	186 Å²	186	42.4 Å²	42.4	97%	0.974	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.3	-19.1	-176.6	-53.1	168.7	0	0	0	116.6	I440	I440-L442 PolarHBondContact O-N 3.29Å
443	I	82.8	Confident	83.1	Confident	59 Å²	59	47.8 Å²	47.8	30%	0.303	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-34	176.1	-52.5	-179.4	0	0	0	111.4	I440 P441 L446 F470 R479	I440-I443 HydrophobicContact CB-CB 4.34Å; I440-I443 HydrophobicContact CG2-CB 4.44Å; I440-I443 HydrophobicContact CG2-CD1 3.96Å; I440-I443 HydrophobicContact CG2-CG1 4.23Å; I440-I443 PolarHBondContact O-N 2.83Å; I440-I443 VanDerWaalsContact O-N 3.16Å; P441-I443 PolarHBondContact O-N 3.15Å; I443-L446 HydrophobicContact CG2-CD1 3.82Å; I443-L446 HydrophobicContact CG2-CD2 4.07Å; I443-L446 HydrophobicContact CG2-CG 4.25Å; I443-F470 HydrophobicContact CD1-CE1 4Å; I443-R479 PolarHBondContact O-NH2 3.04Å
444	G	82.7	Confident	82.9	Confident	3 Å²	3	47.1 Å²	47.1	3%	0.031	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	99.2	-161.6	179.5	0	0	0	0	0	113.5	I440 D487	I440-G444 PolarHBondContact N-O 2.96Å; I440-G444 PolarHBondContact O-N 2.96Å; G444-D487 WeakPolarHBondContact CA-OD1 3.4Å
445	F	87.5	Confident	82.7	Confident	2 Å²	2	45.2 Å²	45.2	1%	0.009	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	135.6	175	-67.4	-85.7	0	0	0	111.4	L413 L417 V437 I438 Y439 T483 L486 D487 L490	L413-F445 HydrophobicContact CD1-CE1 4.36Å; L413-F445 HydrophobicContact CD1-CZ 4.38Å; L413-F445 HydrophobicContact CD2-CE1 4.04Å; L413-F445 HydrophobicContact CD2-CZ 3.93Å; L417-F445 HydrophobicContact CD1-CD1 4.47Å; L417-F445 HydrophobicContact CD1-CE1 4.09Å; L417-F445 HydrophobicContact CD2-CD1 3.89Å; L417-F445 HydrophobicContact CD2-CE1 3.8Å; V437-F445 HydrophobicContact CG1-CD1 4.26Å; I438-F445 CarbonylContact O-C 3.57Å; I438-F445 WeakPolarHBondContact O-CA 3.4Å; Y439-F445 HydrophobicContact CD2-CD1 4.1Å; Y439-F445 AromaticContact CD2-CD2 3.89Å; Y439-F445 HydrophobicContact CD2-CD2 3.89Å; Y439-F445 AromaticContact CD2-CE1 3.95Å; Y439-F445 HydrophobicContact CD2-CE1 3.95Å; Y439-F445 AromaticContact CD2-CE2 3.75Å; Y439-F445 HydrophobicContact CD2-CE2 3.75Å; Y439-F445 HydrophobicContact CD2-CG 4.07Å; Y439-F445 AromaticContact CD2-CZ 3.78Å; Y439-F445 HydrophobicContact CD2-CZ 3.78Å; Y439-F445 HydrophobicContact CE2-CD2 4.46Å; Y439-F445 HydrophobicContact CE2-CE2 4.18Å; Y439-F445 HydrophobicContact CE2-CZ 4.47Å; Y439-F445 HydrophobicContact CG-CD1 4.45Å; Y439-F445 HydrophobicContact CG-CE1 4.17Å; Y439-F445 HydrophobicContact CG-CZ 4.29Å; F445-T483 WeakPolarHBondContact O-CB 3.32Å; F445-L486 HydrophobicContact CB-CB 4.34Å; F445-L486 HydrophobicContact CD2-CB 3.88Å; F445-L486 HydrophobicContact CE2-CB 4.38Å; F445-L486 HydrophobicContact CG-CB 4.07Å; F445-D487 HydrophobicContact CD2-CB 4.34Å; F445-L490 HydrophobicContact CE2-CB 3.95Å; F445-L490 HydrophobicContact CZ-CB 4.12Å
446	L	89.3	Confident	82.1	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	143.9	-177.9	-61.9	171.8	0	0	0	110.6	V437 I438 I440 I443 M469 F470 H477 Y478	V437-L446 WeakPolarHBondContact CA-O 3.38Å; I438-L446 HydrophobicContact CG1-CB 4.13Å; I438-L446 PolarHBondContact N-O 2.86Å; I438-L446 PolarHBondContact O-N 3.06Å; I440-L446 HydrophobicContact CD1-CD1 3.85Å; I440-L446 HydrophobicContact CG1-CD1 4.34Å; I443-L446 HydrophobicContact CG2-CD1 3.82Å; I443-L446 HydrophobicContact CG2-CD2 4.07Å; I443-L446 HydrophobicContact CG2-CG 4.25Å; L446-M469 HydrophobicContact CD2-CG 3.82Å; L446-F470 HydrophobicContact CD1-CE1 3.72Å; L446-F470 HydrophobicContact CD1-CZ 4.06Å; L446-H477 HydrophobicContact CD1-CB 4.19Å; L446-Y478 CarbonylContact C-O 3.58Å; L446-Y478 WeakPolarHBondContact CA-O 3.23Å
447	L	88.5	Confident	81.5	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	107.8	171.8	-164.7	70.7	0	0	0	108.4	E424 L428 C435 V437 I449 L466 Y478 T483	E424-L447 HydrophobicContact CB-CD1 3.9Å; E424-L447 HydrophobicContact CB-CD2 4.38Å; E424-L447 HydrophobicContact CG-CD1 4.03Å; L428-L447 HydrophobicContact CD1-CD2 4.3Å; C435-L447 WeakPolarHBondContact SG-CD1 3.29Å; C435-L447 WeakPolarHBondContact SG-CG 3.42Å; V437-L447 HydrophobicContact CG2-CD1 3.77Å; L447-I449 HydrophobicContact CD2-CD1 4.12Å; L447-I449 HydrophobicContact CG-CD1 4.44Å; L447-I449 HydrophobicContact CG-CG1 4.34Å; L447-L466 HydrophobicContact CD2-CD1 4.2Å; L447-L466 HydrophobicContact CD2-CD2 3.86Å; L447-Y478 PolarHBondContact N-O 2.92Å; L447-Y478 PolarHBondContact O-N 3.19Å; L447-T483 HydrophobicContact CB-CG2 4.23Å
448	S	88.6	Confident	80.8	Confident	3 Å²	3	56.3 Å²	56.3	2%	0.021	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	116.7	179.2	-174	0	0	0	0	110.3	S436 K475 L476 H477	S436-S448 PolarHBondContact N-O 2.9Å; S436-S448 WeakPolarHBondContact O-CA 3.4Å; S436-S448 PolarHBondContact O-N 3.26Å; S436-S448 PolarHBondContact OG-O 3.41Å; S448-K475 WeakPolarHBondContact OG-CB 3.29Å; S448-L476 WeakPolarHBondContact CA-O 3.44Å; S448-H477 PolarHBondContact OG-CE1 3.01Å; S448-H477 VanDerWaalsContact OG-CE1 3.26Å
449	I	87.6	Confident	80.2	Confident	2 Å²	2	57 Å²	57	1%	0.01	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	132.7	-176.1	-60.9	176.1	0	0	0	108	L428 I432 L447 R451 I463 L466 K475 L476 Y478	L428-I449 HydrophobicContact CD1-CD1 3.78Å; L428-I449 HydrophobicContact CD1-CG1 4.3Å; L428-I449 HydrophobicContact CD2-CD1 4.18Å; I432-I449 HydrophobicContact CB-CG2 4.48Å; I432-I449 HydrophobicContact CD1-CD1 4.35Å; I432-I449 HydrophobicContact CD1-CG2 4.08Å; I432-I449 HydrophobicContact CG1-CG2 4.05Å; I432-I449 HydrophobicContact CG2-CG2 3.62Å; L447-I449 HydrophobicContact CD2-CD1 4.12Å; L447-I449 HydrophobicContact CG-CD1 4.44Å; L447-I449 HydrophobicContact CG-CG1 4.34Å; I449-R451 PolarHBondContact O-N 2.88Å; I449-I463 HydrophobicContact CD1-CD1 4.3Å; I449-L466 HydrophobicContact CD1-CD1 3.76Å; I449-K475 CarbonylContact O-C 3.55Å; I449-K475 WeakPolarHBondContact O-CA 3.25Å; I449-L476 PolarHBondContact N-O 2.96Å; I449-L476 PolarHBondContact O-N 3.49Å; I449-Y478 HydrophobicContact CB-CD2 4.41Å; I449-Y478 HydrophobicContact CB-CE2 4.29Å; I449-Y478 HydrophobicContact CD1-CD2 3.76Å; I449-Y478 HydrophobicContact CD1-CE2 4.01Å; I449-Y478 HydrophobicContact CG1-CD2 4.2Å; I449-Y478 HydrophobicContact CG1-CE2 4.48Å
450	P	85.8	Confident	79.8	Confident	36 Å²	36	57.2 Å²	57.2	23%	0.234	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	135.7	175.5	28.1	-33.7	0	0	0	110.2	P433 S434 L452	P433-P450 HydrophobicContact CG-CG 3.92Å; S434-P450 WeakPolarHBondContact O-CD 3.29Å; P450-L452 PolarHBondContact O-N 3.27Å
451	R	83.1	Confident	79.6	Confident	71 Å²	71	55.9 Å²	55.9	27%	0.268	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-65.9	120.9	176	-173.9	-165.3	-179.9	-177	1.3	109.1	I449 M455 F461 L471 E474 L476	I449-R451 PolarHBondContact O-N 2.88Å; R451-M455 HydrophobicContact CG-CB 4.22Å; R451-M455 PolarHBondContact NE-O 3.42Å; R451-M455 PolarHBondContact NH2-O 3.14Å; R451-F461 HydrophobicContact CG-CE1 4.46Å; R451-L471 HydrophobicContact CB-CD1 4.44Å; R451-E474 VanDerWaalsContact CB-O 3.24Å; R451-E474 WeakPolarHBondContact CB-O 3.39Å; R451-E474 WeakPolarHBondContact CD-OE2 3.28Å; R451-E474 IonicContact CZ-OE2 2.98Å; R451-E474 PolarHBondContact N-O 3.23Å; R451-E474 IonicContact NE-OE2 2.88Å; R451-E474 IonicContact NH1-OE1 3.89Å; R451-E474 IonicContact NH1-OE2 3.63Å; R451-E474 PolarHBondContact NH1-OE2 2.89Å; R451-L476 HydrophobicContact CB-CD1 4.26Å; R451-L476 HydrophobicContact CB-CG 4.3Å; R451-L476 HydrophobicContact CG-CD1 4.22Å
452	L	81.6	Confident	79.8	Confident	28 Å²	28	59.2 Å²	59.2	15%	0.147	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-74.1	145.3	174.9	-64.2	172.4	0	0	0	109.6	R431 I432 P450 S454 M455	R431-L452 HydrophobicContact CB-CD1 4.04Å; R431-L452 WeakPolarHBondContact O-CD2 3.44Å; I432-L452 HydrophobicContact CG1-CD1 4.37Å; P450-L452 PolarHBondContact O-N 3.27Å; L452-S454 PolarHBondContact O-N 3.21Å; L452-M455 HydrophobicContact CB-CG 4.25Å; L452-M455 HydrophobicContact CB-SD 4.21Å; L452-M455 HydrophobicContact CD1-CE 4.47Å; L452-M455 WeakPolarHBondContact O-CB 3.4Å; L452-M455 PolarHBondContact O-N 2.78Å
453	P	76.5	Confident	79.8	Confident	127 Å²	127	52.1 Å²	52.1	83%	0.825	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-21.5	177.9	-26	34	0	0	0	114.4	M455	P453-M455 VanDerWaalsContact C-N 3.3Å
454	S	74.5	Confident	79.4	Confident	80 Å²	80	57.5 Å²	57.5	56%	0.559	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-12.2	176.1	59.6	0	0	0	0	114.2	L452	L452-S454 PolarHBondContact O-N 3.21Å
455	M	76	Confident	79.2	Confident	24 Å²	24	60.7 Å²	60.7	12%	0.118	36%	0.359	C	S	.	.			trans	-96.1	97.4	-175.8	-64.6	175.2	155.6	0	0	110.4	R451 L452 P453 D460 F461 I463 L476	R451-M455 HydrophobicContact CG-CB 4.22Å; R451-M455 PolarHBondContact NE-O 3.42Å; R451-M455 PolarHBondContact NH2-O 3.14Å; L452-M455 HydrophobicContact CB-CG 4.25Å; L452-M455 HydrophobicContact CB-SD 4.21Å; L452-M455 HydrophobicContact CD1-CE 4.47Å; L452-M455 WeakPolarHBondContact O-CB 3.4Å; L452-M455 PolarHBondContact O-N 2.78Å; P453-M455 VanDerWaalsContact C-N 3.3Å; M455-D460 HydrophobicContact CB-CB 3.97Å; M455-D460 WeakPolarHBondContact CE-O 3.43Å; M455-D460 HydrophobicContact CG-CB 4.15Å; M455-F461 HydrophobicContact CB-CD1 4Å; M455-F461 HydrophobicContact CB-CE1 3.81Å; M455-I463 HydrophobicContact CE-CD1 4.23Å; M455-I463 HydrophobicContact CE-CG1 4.43Å; M455-L476 HydrophobicContact SD-CD1 3.56Å; M455-L476 VanDerWaalsContact SD-CD1 3.56Å
456	V	72	Confident	79	Confident	103 Å²	103	61.5 Å²	61.5	62%	0.624	36%	0.364	S	S	*	.			trans	-113.1	-44.8	-174.6	-172.4	0	0	0	0	111.5	D460	V456-D460 PolarHBondContact N-OD2 2.83Å
457	E	72.9	Confident	78.8	Confident	131 Å²	131	65 Å²	65	61%	0.612	38%	0.383	S	S	*	.	S	Bend	trans	-88.9	159.4	-178.9	-63.2	-170.3	171.2	0	0	111.7	S459 D460	E457-S459 WeakPolarHBondContact CB-OG 3.44Å; E457-S459 PolarHBondContact O-N 3.34Å; E457-S459 PolarHBondContact OE2-OG 3.37Å; E457-D460 PolarHBondContact N-OD2 2.93Å; E457-D460 WeakPolarHBondContact O-CB 3.48Å; E457-D460 PolarHBondContact O-N 2.96Å
458	A	70.1	Confident	78.7	Confident	79 Å²	79	68.6 Å²	68.6	65%	0.653	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-61.3	-31.6	178	0	0	0	0	0	112.5	D460 F461	A458-D460 VanDerWaalsContact C-N 3.27Å; A458-D460 PolarHBondContact O-N 3.22Å; A458-F461 PolarHBondContact O-N 2.96Å
459	S	72.9	Confident	78.6	Confident	66 Å²	66	72 Å²	72	46%	0.462	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-62.2	-30.8	172.4	38.4	0	0	0	0	112.8	E457 F461 E462	E457-S459 WeakPolarHBondContact CB-OG 3.44Å; E457-S459 PolarHBondContact O-N 3.34Å; E457-S459 PolarHBondContact OE2-OG 3.37Å; S459-F461 PolarHBondContact O-N 3.5Å; S459-E462 PolarHBondContact O-N 3.48Å
460	D	74.4	Confident	78.6	Confident	62 Å²	62	74.9 Å²	74.9	33%	0.332	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-71.8	-17.2	179.2	-60.3	-36.4	0	0	0	112.4	M455 V456 E457 A458	M455-D460 HydrophobicContact CB-CB 3.97Å; M455-D460 WeakPolarHBondContact CE-O 3.43Å; M455-D460 HydrophobicContact CG-CB 4.15Å; V456-D460 PolarHBondContact N-OD2 2.83Å; E457-D460 PolarHBondContact N-OD2 2.93Å; E457-D460 WeakPolarHBondContact O-CB 3.48Å; E457-D460 PolarHBondContact O-N 2.96Å; A458-D460 VanDerWaalsContact C-N 3.27Å; A458-D460 PolarHBondContact O-N 3.22Å
461	F	77.8	Confident	78.6	Confident	22 Å²	22	76.6 Å²	76.6	10%	0.096	43%	0.434	C	S	.	.	G	3₁₀ helix	trans	-83.9	-11.6	178.2	-53.6	-31.1	0	0	0	112.5	R451 M455 A458 S459 I463 F468 L471 L476 Y478	R451-F461 HydrophobicContact CG-CE1 4.46Å; M455-F461 HydrophobicContact CB-CD1 4Å; M455-F461 HydrophobicContact CB-CE1 3.81Å; A458-F461 PolarHBondContact O-N 2.96Å; S459-F461 PolarHBondContact O-N 3.5Å; F461-I463 PolarHBondContact O-N 3.33Å; F461-F468 HydrophobicContact CB-CD2 4.21Å; F461-F468 HydrophobicContact CB-CE2 4.37Å; F461-F468 HydrophobicContact CB-CG 4.42Å; F461-F468 HydrophobicContact CD2-CZ 4.2Å; F461-L471 HydrophobicContact CZ-CD2 4.44Å; F461-L476 HydrophobicContact CB-CD2 4.25Å; F461-L476 HydrophobicContact CD1-CD1 3.74Å; F461-L476 HydrophobicContact CD1-CD2 3.56Å; F461-L476 HydrophobicContact CD1-CG 4.32Å; F461-L476 HydrophobicContact CD2-CD2 4.11Å; F461-L476 HydrophobicContact CE1-CD1 4.25Å; F461-L476 HydrophobicContact CE1-CD2 3.86Å; F461-L476 HydrophobicContact CE2-CD2 4.38Å; F461-L476 HydrophobicContact CG-CD1 4.46Å; F461-L476 HydrophobicContact CG-CD2 3.71Å; F461-L476 HydrophobicContact CZ-CD2 4.27Å; F461-Y478 WeakPolarHBondContact O-CE1 3.18Å; F461-Y478 VanDerWaalsContact O-CZ 3.3Å; F461-Y478 PolarHBondContact O-OH 3.36Å
462	E	76	Confident	78.7	Confident	160 Å²	160	75.8 Å²	75.8	75%	0.748	44%	0.439	S	S	*	.			trans	-77.9	103	179	-65.7	-174.9	174.4	0	0	110.6	S459	S459-E462 PolarHBondContact O-N 3.48Å
463	I	74.8	Confident	78.7	Confident	37 Å²	37	82.4 Å²	82.4	19%	0.19	47%	0.469	C	S	.	.			trans	-102.7	126.4	175.8	-57.6	174.1	0	0	0	108.4	I432 I449 M455 F461 G465 L466 Y478	I432-I463 HydrophobicContact CD1-CD1 4.39Å; I449-I463 HydrophobicContact CD1-CD1 4.3Å; M455-I463 HydrophobicContact CE-CD1 4.23Å; M455-I463 HydrophobicContact CE-CG1 4.43Å; F461-I463 PolarHBondContact O-N 3.33Å; I463-G465 PolarHBondContact O-N 3.25Å; I463-L466 HydrophobicContact CB-CB 4.22Å; I463-L466 HydrophobicContact CB-CD1 4.01Å; I463-L466 HydrophobicContact CB-CG 4.42Å; I463-L466 HydrophobicContact CD1-CD1 4.17Å; I463-L466 HydrophobicContact CG2-CD1 3.82Å; I463-L466 HydrophobicContact CG2-CG 4.21Å; I463-L466 PolarHBondContact O-N 3.01Å; I463-Y478 HydrophobicContact CD1-CE1 4.28Å; I463-Y478 HydrophobicContact CD1-CE2 3.88Å; I463-Y478 HydrophobicContact CG1-CE1 4.38Å
464	N	74	Confident	79	Confident	172 Å²	172	82 Å²	82	92%	0.92	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	124.6	-179.4	-75.9	-39.3	0	0	0	112.1
465	G	78.2	Confident	79.6	Confident	70 Å²	70	82.5 Å²	82.5	72%	0.722	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.1	-0.4	-179.5	0	0	0	0	0	115	I463	I463-G465 PolarHBondContact O-N 3.25Å
466	L	83.2	Confident	80.1	Confident	18 Å²	18	81.4 Å²	81.4	9%	0.094	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	124	176.5	-64.7	-174.6	0	0	0	110.6	L428 L447 I449 I463 F468 Y478	L428-L466 HydrophobicContact CD2-CD1 3.79Å; L447-L466 HydrophobicContact CD2-CD1 4.2Å; L447-L466 HydrophobicContact CD2-CD2 3.86Å; I449-L466 HydrophobicContact CD1-CD1 3.76Å; I463-L466 HydrophobicContact CB-CB 4.22Å; I463-L466 HydrophobicContact CB-CD1 4.01Å; I463-L466 HydrophobicContact CB-CG 4.42Å; I463-L466 HydrophobicContact CD1-CD1 4.17Å; I463-L466 HydrophobicContact CG2-CD1 3.82Å; I463-L466 HydrophobicContact CG2-CG 4.21Å; I463-L466 PolarHBondContact O-N 3.01Å; L466-F468 PolarHBondContact O-N 3.49Å; L466-Y478 HydrophobicContact CB-CD1 3.65Å; L466-Y478 HydrophobicContact CB-CE1 4.41Å; L466-Y478 HydrophobicContact CB-CG 3.97Å; L466-Y478 HydrophobicContact CD1-CD1 4.28Å; L466-Y478 HydrophobicContact CD1-CD2 4.24Å; L466-Y478 HydrophobicContact CD1-CG 3.97Å
467	D	85.3	Confident	80.8	Confident	75 Å²	75	77 Å²	77	40%	0.401	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	113.9	174.9	-55.4	-33.9	0	0	0	108.9	M469 Y478 R479 K484	D467-M469 HydrophobicContact CB-CE 4.12Å; D467-M469 PolarHBondContact O-N 3.43Å; D467-Y478 CarbonylContact O-C 3.51Å; D467-Y478 VanDerWaalsContact O-CA 3.3Å; D467-Y478 WeakPolarHBondContact O-CA 3.29Å; D467-R479 HydrophobicContact CB-CB 4.25Å; D467-R479 PolarHBondContact N-O 2.93Å; D467-R479 PolarHBondContact O-N 2.83Å; D467-K484 VanDerWaalsContact OD2-CE 3.28Å; D467-K484 WeakPolarHBondContact OD2-CE 3.28Å; D467-K484 IonicContact OD2-NZ 3.77Å; D467-K484 PolarHBondContact OD2-NZ 2.92Å
468	F	86.7	Confident	81.5	Confident	75 Å²	75	70.7 Å²	70.7	33%	0.329	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	131.5	176.5	177	-108.3	0	0	0	111.1	F461 L466 F470 L471 L476 Y478	F461-F468 HydrophobicContact CB-CD2 4.21Å; F461-F468 HydrophobicContact CB-CE2 4.37Å; F461-F468 HydrophobicContact CB-CG 4.42Å; F461-F468 HydrophobicContact CD2-CZ 4.2Å; L466-F468 PolarHBondContact O-N 3.49Å; F468-F470 VanDerWaalsContact CE2-C 3.46Å; F468-F470 WeakPolarHBondContact CE2-O 3.28Å; F468-L471 HydrophobicContact CZ-CB 4.29Å; F468-L476 HydrophobicContact CD2-CD2 4.3Å; F468-L476 HydrophobicContact CE2-CB 4.38Å; F468-L476 HydrophobicContact CE2-CD2 3.51Å; F468-L476 HydrophobicContact CZ-CD2 4.21Å; F468-Y478 HydrophobicContact CB-CD1 4Å; F468-Y478 HydrophobicContact CB-CE1 3.72Å; F468-Y478 HydrophobicContact CD2-CD1 4.29Å; F468-Y478 AromaticContact CD2-CE1 3.76Å; F468-Y478 HydrophobicContact CD2-CE1 3.76Å; F468-Y478 AromaticContact CD2-CZ 3.99Å; F468-Y478 HydrophobicContact CG-CE1 4.22Å
469	M	86.6	Confident	82.3	Confident	73 Å²	73	70.3 Å²	70.3	36%	0.36	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	-59.9	177.7	-61.6	-75.6	94.3	0	0	111.5	L446 D467 H477 R479	L446-M469 HydrophobicContact CD2-CG 3.82Å; D467-M469 HydrophobicContact CB-CE 4.12Å; D467-M469 PolarHBondContact O-N 3.43Å; M469-H477 WeakPolarHBondContact CB-O 3.31Å; M469-H477 PolarHBondContact N-O 2.9Å; M469-R479 HydrophobicContact CG-CB 4.43Å
470	F	88.3	Confident	83	Confident	64 Å²	64	67.3 Å²	67.3	28%	0.281	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163	164.7	-179.8	62.7	-87.9	0	0	0	112.2	I440 I443 L446 F468 H477	I440-F470 HydrophobicContact CD1-CE1 4.29Å; I440-F470 HydrophobicContact CD1-CZ 3.59Å; I443-F470 HydrophobicContact CD1-CE1 4Å; L446-F470 HydrophobicContact CD1-CE1 3.72Å; L446-F470 HydrophobicContact CD1-CZ 4.06Å; F468-F470 VanDerWaalsContact CE2-C 3.46Å; F468-F470 WeakPolarHBondContact CE2-O 3.28Å; F470-H477 HydrophobicContact CD1-CB 4.27Å; F470-H477 HydrophobicContact CD2-CB 4.42Å; F470-H477 AromaticContact CD2-CD2 3.59Å; F470-H477 HydrophobicContact CE1-CB 3.98Å; F470-H477 HydrophobicContact CE2-CB 4.14Å; F470-H477 AromaticContact CE2-CD2 3.13Å; F470-H477 WeakPolarHBondContact CE2-CD2 3.35Å; F470-H477 AromaticContact CE2-CG 3.64Å; F470-H477 AromaticContact CE2-NE2 3.66Å; F470-H477 HydrophobicContact CG-CB 4.47Å; F470-H477 HydrophobicContact CZ-CB 3.89Å; F470-H477 AromaticContact CZ-CD2 3.64Å; F470-H477 AromaticContact CZ-CG 3.63Å; F470-H477 WeakPolarHBondContact O-CB 3.27Å; F470-H477 PolarHBondContact O-N 2.81Å
471	L	85.3	Confident	83.5	Confident	71 Å²	71	68.2 Å²	68.2	37%	0.372	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	129	173.2	172.7	70.3	0	0	0	109	R451 F461 F468 K475 L476	R451-L471 HydrophobicContact CB-CD1 4.44Å; F461-L471 HydrophobicContact CZ-CD2 4.44Å; F468-L471 HydrophobicContact CZ-CB 4.29Å; L471-K475 WeakPolarHBondContact CA-O 3.47Å; L471-L476 HydrophobicContact CB-CD2 4.06Å; L471-L476 HydrophobicContact CD1-CD2 3.58Å; L471-L476 HydrophobicContact CD1-CG 3.97Å; L471-L476 HydrophobicContact CG-CD2 4.32Å
472	S	84.7	Confident	83.8	Confident	54 Å²	54	70.4 Å²	70.4	38%	0.378	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	133.2	174.1	-171.7	0	0	0	0	110.3	E474 K475	S472-E474 PolarHBondContact O-N 3.42Å; S472-K475 PolarHBondContact N-O 3.45Å; S472-K475 WeakPolarHBondContact O-CA 3.46Å; S472-K475 WeakPolarHBondContact O-CB 3.41Å; S472-K475 PolarHBondContact O-N 2.8Å; S472-K475 VanDerWaalsContact O-O 3.09Å
473	E	83.1	Confident	84.2	Confident	168 Å²	168	62.8 Å²	62.8	79%	0.785	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	47.3	176.6	-59.2	-175	169.8	0	0	114.9	K475	E473-K475 PolarHBondContact O-N 3.29Å; E473-K475 VanDerWaalsContact O-N 3.14Å
474	E	83.1	Confident	84.7	Confident	117 Å²	117	65.9 Å²	65.9	55%	0.547	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	23.4	-175	-56.1	-61.8	154.6	0	0	114	R451 S472	R451-E474 VanDerWaalsContact CB-O 3.24Å; R451-E474 WeakPolarHBondContact CB-O 3.39Å; R451-E474 WeakPolarHBondContact CD-OE2 3.28Å; R451-E474 IonicContact CZ-OE2 2.98Å; R451-E474 PolarHBondContact N-O 3.23Å; R451-E474 IonicContact NE-OE2 2.88Å; R451-E474 IonicContact NH1-OE1 3.89Å; R451-E474 IonicContact NH1-OE2 3.63Å; R451-E474 PolarHBondContact NH1-OE2 2.89Å; S472-E474 PolarHBondContact O-N 3.42Å
475	K	85.6	Confident	85.2	Confident	92 Å²	92	63.4 Å²	63.4	40%	0.4	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	129.1	171.7	-61.1	179.2	-174.3	170.4	0	110.7	S448 I449 L471 S472 E473 H477	S448-K475 WeakPolarHBondContact OG-CB 3.29Å; I449-K475 CarbonylContact O-C 3.55Å; I449-K475 WeakPolarHBondContact O-CA 3.25Å; L471-K475 WeakPolarHBondContact CA-O 3.47Å; S472-K475 PolarHBondContact N-O 3.45Å; S472-K475 WeakPolarHBondContact O-CA 3.46Å; S472-K475 WeakPolarHBondContact O-CB 3.41Å; S472-K475 PolarHBondContact O-N 2.8Å; S472-K475 VanDerWaalsContact O-O 3.09Å; E473-K475 PolarHBondContact O-N 3.29Å; E473-K475 VanDerWaalsContact O-N 3.14Å; K475-H477 PolarHBondContact O-CD2 3.37Å
476	L	86.3	Confident	85.4	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	127	175.9	-64.5	162.7	0	0	0	108.6	S448 I449 R451 M455 F461 F468 L471 Y478	S448-L476 WeakPolarHBondContact CA-O 3.44Å; I449-L476 PolarHBondContact N-O 2.96Å; I449-L476 PolarHBondContact O-N 3.49Å; R451-L476 HydrophobicContact CB-CD1 4.26Å; R451-L476 HydrophobicContact CB-CG 4.3Å; R451-L476 HydrophobicContact CG-CD1 4.22Å; M455-L476 HydrophobicContact SD-CD1 3.56Å; M455-L476 VanDerWaalsContact SD-CD1 3.56Å; F461-L476 HydrophobicContact CB-CD2 4.25Å; F461-L476 HydrophobicContact CD1-CD1 3.74Å; F461-L476 HydrophobicContact CD1-CD2 3.56Å; F461-L476 HydrophobicContact CD1-CG 4.32Å; F461-L476 HydrophobicContact CD2-CD2 4.11Å; F461-L476 HydrophobicContact CE1-CD1 4.25Å; F461-L476 HydrophobicContact CE1-CD2 3.86Å; F461-L476 HydrophobicContact CE2-CD2 4.38Å; F461-L476 HydrophobicContact CG-CD1 4.46Å; F461-L476 HydrophobicContact CG-CD2 3.71Å; F461-L476 HydrophobicContact CZ-CD2 4.27Å; F468-L476 HydrophobicContact CD2-CD2 4.3Å; F468-L476 HydrophobicContact CE2-CB 4.38Å; F468-L476 HydrophobicContact CE2-CD2 3.51Å; F468-L476 HydrophobicContact CZ-CD2 4.21Å; L471-L476 HydrophobicContact CB-CD2 4.06Å; L471-L476 HydrophobicContact CD1-CD2 3.58Å; L471-L476 HydrophobicContact CD1-CG 3.97Å; L471-L476 HydrophobicContact CG-CD2 4.32Å; L476-Y478 HydrophobicContact CB-CD2 4.18Å; L476-Y478 HydrophobicContact CB-CE2 3.33Å; L476-Y478 HydrophobicContact CD1-CE2 4.39Å; L476-Y478 WeakPolarHBondContact CD1-OH 3.27Å; L476-Y478 HydrophobicContact CG-CE2 4.43Å
477	H	88.2	Confident	85.5	Confident	10 Å²	10	62.1 Å²	62.1	5%	0.046	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	123.7	-179.8	-62.2	-86.1	0	0	0	110.4	I438 L446 S448 M469 F470 K475	I438-H477 WeakPolarHBondContact CD1-CE1 3.3Å; I438-H477 WeakPolarHBondContact CD1-ND1 3.39Å; L446-H477 HydrophobicContact CD1-CB 4.19Å; S448-H477 PolarHBondContact OG-CE1 3.01Å; S448-H477 VanDerWaalsContact OG-CE1 3.26Å; M469-H477 WeakPolarHBondContact CB-O 3.31Å; M469-H477 PolarHBondContact N-O 2.9Å; F470-H477 HydrophobicContact CD1-CB 4.27Å; F470-H477 HydrophobicContact CD2-CB 4.42Å; F470-H477 AromaticContact CD2-CD2 3.59Å; F470-H477 HydrophobicContact CE1-CB 3.98Å; F470-H477 HydrophobicContact CE2-CB 4.14Å; F470-H477 AromaticContact CE2-CD2 3.13Å; F470-H477 WeakPolarHBondContact CE2-CD2 3.35Å; F470-H477 AromaticContact CE2-CG 3.64Å; F470-H477 AromaticContact CE2-NE2 3.66Å; F470-H477 HydrophobicContact CG-CB 4.47Å; F470-H477 HydrophobicContact CZ-CB 3.89Å; F470-H477 AromaticContact CZ-CD2 3.64Å; F470-H477 AromaticContact CZ-CG 3.63Å; F470-H477 WeakPolarHBondContact O-CB 3.27Å; F470-H477 PolarHBondContact O-N 2.81Å; K475-H477 PolarHBondContact O-CD2 3.37Å
478	Y	87.7	Confident	85.2	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	157.1	-175.8	-65.9	-83.5	0	0	0	112.1	L446 L447 I449 F461 I463 L466 D467 F468 L476	L446-Y478 CarbonylContact C-O 3.58Å; L446-Y478 WeakPolarHBondContact CA-O 3.23Å; L447-Y478 PolarHBondContact N-O 2.92Å; L447-Y478 PolarHBondContact O-N 3.19Å; I449-Y478 HydrophobicContact CB-CD2 4.41Å; I449-Y478 HydrophobicContact CB-CE2 4.29Å; I449-Y478 HydrophobicContact CD1-CD2 3.76Å; I449-Y478 HydrophobicContact CD1-CE2 4.01Å; I449-Y478 HydrophobicContact CG1-CD2 4.2Å; I449-Y478 HydrophobicContact CG1-CE2 4.48Å; F461-Y478 WeakPolarHBondContact O-CE1 3.18Å; F461-Y478 VanDerWaalsContact O-CZ 3.3Å; F461-Y478 PolarHBondContact O-OH 3.36Å; I463-Y478 HydrophobicContact CD1-CE1 4.28Å; I463-Y478 HydrophobicContact CD1-CE2 3.88Å; I463-Y478 HydrophobicContact CG1-CE1 4.38Å; L466-Y478 HydrophobicContact CB-CD1 3.65Å; L466-Y478 HydrophobicContact CB-CE1 4.41Å; L466-Y478 HydrophobicContact CB-CG 3.97Å; L466-Y478 HydrophobicContact CD1-CD1 4.28Å; L466-Y478 HydrophobicContact CD1-CD2 4.24Å; L466-Y478 HydrophobicContact CD1-CG 3.97Å; D467-Y478 CarbonylContact O-C 3.51Å; D467-Y478 VanDerWaalsContact O-CA 3.3Å; D467-Y478 WeakPolarHBondContact O-CA 3.29Å; F468-Y478 HydrophobicContact CB-CD1 4Å; F468-Y478 HydrophobicContact CB-CE1 3.72Å; F468-Y478 HydrophobicContact CD2-CD1 4.29Å; F468-Y478 AromaticContact CD2-CE1 3.76Å; F468-Y478 HydrophobicContact CD2-CE1 3.76Å; F468-Y478 AromaticContact CD2-CZ 3.99Å; F468-Y478 HydrophobicContact CG-CE1 4.22Å; L476-Y478 HydrophobicContact CB-CD2 4.18Å; L476-Y478 HydrophobicContact CB-CE2 3.33Å; L476-Y478 HydrophobicContact CD1-CE2 4.39Å; L476-Y478 WeakPolarHBondContact CD1-OH 3.27Å; L476-Y478 HydrophobicContact CG-CE2 4.43Å
479	R	86.7	Confident	84.8	Confident	71 Å²	71	65.2 Å²	65.2	27%	0.268	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	110.9	167.6	-171.3	-179.6	-77.6	-178.5	-8	109	I443 D467 M469 T483 K484	I443-R479 PolarHBondContact O-NH2 3.04Å; D467-R479 HydrophobicContact CB-CB 4.25Å; D467-R479 PolarHBondContact N-O 2.93Å; D467-R479 PolarHBondContact O-N 2.83Å; M469-R479 HydrophobicContact CG-CB 4.43Å; R479-T483 WeakPolarHBondContact CA-OG1 3.45Å; R479-K484 VanDerWaalsContact CD-CE 3.46Å; R479-K484 HydrophobicContact CG-CD 4.32Å; R479-K484 HydrophobicContact CG-CG 3.64Å
480	S	86.2	Confident	84.3	Confident	3 Å²	3	63.2 Å²	63.2	2%	0.021	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	163.4	171.1	87.6	0	0	0	0	111.7	E424 R482 T483 K484	E424-S480 VanDerWaalsContact OE2-CB 3.28Å; E424-S480 WeakPolarHBondContact OE2-CB 2.99Å; E424-S480 PolarHBondContact OE2-OG 2.7Å; S480-R482 PolarHBondContact O-N 2.87Å; S480-R482 PolarHBondContact OG-N 3.2Å; S480-T483 PolarHBondContact N-OG1 2.89Å; S480-T483 PolarHBondContact O-N 3.16Å; S480-T483 VanDerWaalsContact O-N 3.08Å; S480-T483 PolarHBondContact O-OG1 2.96Å; S480-T483 PolarHBondContact OG-N 3.08Å; S480-K484 PolarHBondContact O-N 2.9Å
481	A	84.7	Confident	83.7	Confident	80 Å²	80	60.3 Å²	60.3	66%	0.661	32%	0.317	S	S	*	.	H	α-helix	trans	-54.1	-38.6	174.8	0	0	0	0	0	112.3	K484 E485	A481-K484 WeakPolarHBondContact O-CB 3.47Å; A481-K484 PolarHBondContact O-N 3.27Å; A481-E485 PolarHBondContact O-N 2.7Å; A481-E485 VanDerWaalsContact O-N 3.15Å
482	R	84.1	Confident	83.4	Confident	69 Å²	69	62 Å²	62	26%	0.26	33%	0.326	S	S	.	.	H	α-helix	trans	-70.7	-38.7	177.2	-167.2	178.2	-71.7	157	4.3	112.1	V420 E424 S480 K484 E485 L486	V420-R482 HydrophobicContact CG1-CG 4.25Å; E424-R482 WeakPolarHBondContact OE1-CB 3.02Å; E424-R482 WeakPolarHBondContact OE1-CD 3.3Å; E424-R482 IonicContact OE1-CZ 2.74Å; E424-R482 IonicContact OE1-NE 3.96Å; E424-R482 PolarHBondContact OE1-NE 3.34Å; E424-R482 IonicContact OE1-NH1 3.32Å; E424-R482 PolarHBondContact OE1-NH1 3.2Å; E424-R482 IonicContact OE1-NH2 2.76Å; S480-R482 PolarHBondContact O-N 2.87Å; S480-R482 PolarHBondContact OG-N 3.2Å; R482-K484 VanDerWaalsContact C-N 3.28Å; R482-K484 PolarHBondContact O-N 2.95Å; R482-E485 PolarHBondContact O-N 2.98Å; R482-L486 VanDerWaalsContact O-CG 3.32Å; R482-L486 WeakPolarHBondContact O-CG 3.18Å; R482-L486 PolarHBondContact O-N 2.83Å
483	T	85.4	Confident	83.3	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-63.6	-34	174.1	62.1	0	0	0	0	112.5	F445 L447 R479 S480 L486 D487	F445-T483 WeakPolarHBondContact O-CB 3.32Å; L447-T483 HydrophobicContact CB-CG2 4.23Å; R479-T483 WeakPolarHBondContact CA-OG1 3.45Å; S480-T483 PolarHBondContact N-OG1 2.89Å; S480-T483 PolarHBondContact O-N 3.16Å; S480-T483 VanDerWaalsContact O-N 3.08Å; S480-T483 PolarHBondContact O-OG1 2.96Å; S480-T483 PolarHBondContact OG-N 3.08Å; T483-L486 PolarHBondContact O-N 2.92Å; T483-D487 WeakPolarHBondContact O-CB 3.46Å; T483-D487 PolarHBondContact O-N 3.42Å
484	K	84.4	Confident	83.1	Confident	101 Å²	101	55.7 Å²	55.7	44%	0.439	29%	0.291	S	S	.	.	H	α-helix	trans	-64.4	-41.8	172.7	-69	177.1	-177	174.1	0	112	D467 R479 S480 A481 R482 D487 A488	D467-K484 VanDerWaalsContact OD2-CE 3.28Å; D467-K484 WeakPolarHBondContact OD2-CE 3.28Å; D467-K484 IonicContact OD2-NZ 3.77Å; D467-K484 PolarHBondContact OD2-NZ 2.92Å; R479-K484 VanDerWaalsContact CD-CE 3.46Å; R479-K484 HydrophobicContact CG-CD 4.32Å; R479-K484 HydrophobicContact CG-CG 3.64Å; S480-K484 PolarHBondContact O-N 2.9Å; A481-K484 WeakPolarHBondContact O-CB 3.47Å; A481-K484 PolarHBondContact O-N 3.27Å; R482-K484 VanDerWaalsContact C-N 3.28Å; R482-K484 PolarHBondContact O-N 2.95Å; K484-D487 PolarHBondContact O-N 3.06Å; K484-A488 PolarHBondContact O-N 3.16Å
485	E	84.9	Confident	83	Confident	120 Å²	120	52.3 Å²	52.3	56%	0.561	28%	0.28	S	S	*	.	H	α-helix	trans	-65	-43.4	175.9	-178.3	176.5	-159	0	0	111.5	A481 R482 D487 A488 L489	A481-E485 PolarHBondContact O-N 2.7Å; A481-E485 VanDerWaalsContact O-N 3.15Å; R482-E485 PolarHBondContact O-N 2.98Å; E485-D487 VanDerWaalsContact C-N 3.32Å; E485-D487 PolarHBondContact O-N 2.95Å; E485-A488 PolarHBondContact O-N 2.95Å; E485-L489 HydrophobicContact CG-CD1 3.85Å; E485-L489 PolarHBondContact O-N 3.31Å
486	L	84	Confident	83	Confident	9 Å²	9	52 Å²	52	5%	0.047	28%	0.28	C	S	.	.	H	α-helix	trans	-60.2	-41.7	174.2	-70.1	178.6	0	0	0	112.3	F416 L417 V420 F445 R482 T483 L489 L490	F416-L486 HydrophobicContact CD1-CD2 4.33Å; F416-L486 HydrophobicContact CE1-CD2 3.38Å; F416-L486 HydrophobicContact CZ-CD2 4.06Å; L417-L486 HydrophobicContact CD2-CD1 4.1Å; V420-L486 HydrophobicContact CG1-CD1 4.08Å; V420-L486 HydrophobicContact CG2-CD1 4.38Å; F445-L486 HydrophobicContact CB-CB 4.34Å; F445-L486 HydrophobicContact CD2-CB 3.88Å; F445-L486 HydrophobicContact CE2-CB 4.38Å; F445-L486 HydrophobicContact CG-CB 4.07Å; R482-L486 VanDerWaalsContact O-CG 3.32Å; R482-L486 WeakPolarHBondContact O-CG 3.18Å; R482-L486 PolarHBondContact O-N 2.83Å; T483-L486 PolarHBondContact O-N 2.92Å; L486-L489 PolarHBondContact O-N 2.88Å; L486-L490 HydrophobicContact CD2-CD1 4.37Å; L486-L490 WeakPolarHBondContact O-CA 3.2Å; L486-L490 WeakPolarHBondContact O-CB 3.27Å; L486-L490 PolarHBondContact O-N 3.45Å
487	D	83.3	Confident	82.9	Confident	53 Å²	53	52.2 Å²	52.2	28%	0.283	28%	0.281	S	S	.	.	H	α-helix	trans	-63.4	-42.9	177.7	-155.6	45.4	0	0	0	111.4	G444 F445 T483 K484 E485 L489 G491	G444-D487 WeakPolarHBondContact CA-OD1 3.4Å; F445-D487 HydrophobicContact CD2-CB 4.34Å; T483-D487 WeakPolarHBondContact O-CB 3.46Å; T483-D487 PolarHBondContact O-N 3.42Å; K484-D487 PolarHBondContact O-N 3.06Å; E485-D487 VanDerWaalsContact C-N 3.32Å; E485-D487 PolarHBondContact O-N 2.95Å; D487-L489 VanDerWaalsContact C-N 3.29Å; D487-L489 PolarHBondContact O-N 3.06Å; D487-G491 WeakPolarHBondContact O-CA 3.4Å; D487-G491 PolarHBondContact O-N 3.47Å
488	A	80.4	Confident	82.8	Confident	90 Å²	90	57.5 Å²	57.5	74%	0.744	30%	0.3	S	S	*	.	H	α-helix	trans	-65.6	-28	175.9	0	0	0	0	0	113.9	K484 E485	K484-A488 PolarHBondContact O-N 3.16Å; E485-A488 PolarHBondContact O-N 2.95Å
489	L	78.5	Confident	82.7	Confident	125 Å²	125	61.7 Å²	61.7	65%	0.654	32%	0.323	S	S	*	.	H	α-helix	trans	-92.9	-34.6	-178.3	-87.5	149.7	0	0	0	113.9	E485 L486 D487	E485-L489 HydrophobicContact CG-CD1 3.85Å; E485-L489 PolarHBondContact O-N 3.31Å; L486-L489 PolarHBondContact O-N 2.88Å; D487-L489 VanDerWaalsContact C-N 3.29Å; D487-L489 PolarHBondContact O-N 3.06Å
490	L	76.3	Confident	82.8	Confident	31 Å²	31	60 Å²	60	16%	0.162	32%	0.318	C	S	.	.	H	α-helix	trans	-134.1	-7.8	-166.4	-58.9	174.1	0	0	0	113.4	L413 F416 F445 L486 D492 L493	L413-L490 HydrophobicContact CD1-CD1 3.7Å; F416-L490 HydrophobicContact CE1-CD1 4.36Å; F445-L490 HydrophobicContact CE2-CB 3.95Å; F445-L490 HydrophobicContact CZ-CB 4.12Å; L486-L490 HydrophobicContact CD2-CD1 4.37Å; L486-L490 WeakPolarHBondContact O-CA 3.2Å; L486-L490 WeakPolarHBondContact O-CB 3.27Å; L486-L490 PolarHBondContact O-N 3.45Å; L490-D492 VanDerWaalsContact C-N 3.26Å; L490-D492 PolarHBondContact O-N 3.15Å; L490-L493 HydrophobicContact CD2-CD2 4.43Å; L490-L493 VanDerWaalsContact O-CB 3.24Å; L490-L493 WeakPolarHBondContact O-CB 3.33Å; L490-L493 PolarHBondContact O-N 2.82Å; L490-L493 VanDerWaalsContact O-N 3.15Å
491	G	74.3	Confident	82.9	Confident	3 Å²	3	59.9 Å²	59.9	3%	0.031	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-37	-174.1	0	0	0	0	0	112.8	Y439 D487	Y439-G491 PolarHBondContact OH-O 3.49Å; D487-G491 WeakPolarHBondContact O-CA 3.4Å; D487-G491 PolarHBondContact O-N 3.47Å
492	D	80	Confident	83	Confident	106 Å²	106	59.1 Å²	59.1	57%	0.567	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-3.4	-179.3	-67.3	-35	0	0	0	113.8	L490 H494 C495 E496	L490-D492 VanDerWaalsContact C-N 3.26Å; L490-D492 PolarHBondContact O-N 3.15Å; D492-H494 VanDerWaalsContact C-N 3.29Å; D492-H494 PolarHBondContact O-N 3.21Å; D492-C495 CarbonylContact O-C 3.56Å; D492-C495 WeakPolarHBondContact O-CA 3.45Å; D492-C495 WeakPolarHBondContact O-CB 3.18Å; D492-C495 PolarHBondContact O-N 3.38Å; D492-E496 HydrophobicContact CB-CG 4.37Å; D492-E496 WeakPolarHBondContact O-CG 3.3Å; D492-E496 PolarHBondContact O-N 3.21Å
493	L	81.5	Confident	83.2	Confident	12 Å²	12	60.5 Å²	60.5	6%	0.063	32%	0.316	C	S	.	.	H	α-helix	trans	-57	-40.8	-172.3	-171.3	66.3	0	0	0	112.7	K406 R409 L410 L490 I497	K406-L493 HydrophobicContact CB-CD1 3.62Å; K406-L493 HydrophobicContact CD-CD1 4.16Å; K406-L493 HydrophobicContact CG-CD1 3.65Å; R409-L493 HydrophobicContact CB-CD2 4.17Å; L410-L493 HydrophobicContact CB-CD2 4.01Å; L410-L493 HydrophobicContact CD1-CD2 4.43Å; L490-L493 HydrophobicContact CD2-CD2 4.43Å; L490-L493 VanDerWaalsContact O-CB 3.24Å; L490-L493 WeakPolarHBondContact O-CB 3.33Å; L490-L493 PolarHBondContact O-N 2.82Å; L490-L493 VanDerWaalsContact O-N 3.15Å; L493-I497 HydrophobicContact CG-CD1 4.18Å; L493-I497 WeakPolarHBondContact O-CD1 3.46Å; L493-I497 WeakPolarHBondContact O-CG1 3.28Å; L493-I497 PolarHBondContact O-N 2.9Å; L493-I497 VanDerWaalsContact O-N 3.07Å
494	H	79.4	Confident	83.3	Confident	78 Å²	78	61.8 Å²	61.8	36%	0.361	32%	0.323	S	S	.	.	H	α-helix	trans	-66.5	-40.7	176.3	-71.5	89.1	0	0	0	112.2	L410 Y439 D492 R498	L410-H494 WeakPolarHBondContact CD1-CE1 3.35Å; L410-H494 WeakPolarHBondContact CD1-NE2 3.34Å; Y439-H494 AromaticContact CE1-ND1 3.84Å; D492-H494 VanDerWaalsContact C-N 3.29Å; D492-H494 PolarHBondContact O-N 3.21Å; H494-R498 VanDerWaalsContact O-CB 3.31Å; H494-R498 WeakPolarHBondContact O-CB 3.39Å; H494-R498 PolarHBondContact O-N 3.44Å
495	C	81.7	Confident	83.5	Confident	46 Å²	46	58 Å²	58	31%	0.311	31%	0.307	S	S	.	.	H	α-helix	trans	-66.8	-46	178.3	-65.9	0	0	0	0	110.6	D492 I497 R498 D499	D492-C495 CarbonylContact O-C 3.56Å; D492-C495 WeakPolarHBondContact O-CA 3.45Å; D492-C495 WeakPolarHBondContact O-CB 3.18Å; D492-C495 PolarHBondContact O-N 3.38Å; C495-I497 PolarHBondContact O-N 2.8Å; C495-R498 WeakPolarHBondContact O-CB 3.37Å; C495-R498 PolarHBondContact O-N 2.84Å; C495-D499 WeakPolarHBondContact O-CB 3.25Å; C495-D499 PolarHBondContact O-N 3.18Å
496	E	85.2	Confident	83.6	Confident	84 Å²	84	58.3 Å²	58.3	39%	0.393	30%	0.304	S	S	.	.	H	α-helix	trans	-61.2	-46.1	178.4	-70.9	-177	-168.3	0	0	112.5	K406 D492 R498 D499 Q500	K406-E496 HydrophobicContact CD-CB 4.32Å; K406-E496 WeakPolarHBondContact CE-OE2 3.45Å; K406-E496 IonicContact NZ-OE2 3.61Å; K406-E496 PolarHBondContact NZ-OE2 2.7Å; D492-E496 HydrophobicContact CB-CG 4.37Å; D492-E496 WeakPolarHBondContact O-CG 3.3Å; D492-E496 PolarHBondContact O-N 3.21Å; E496-R498 VanDerWaalsContact C-N 3.29Å; E496-R498 PolarHBondContact O-N 3.3Å; E496-D499 PolarHBondContact O-N 3.12Å; E496-Q500 WeakPolarHBondContact O-CB 3.38Å; E496-Q500 WeakPolarHBondContact O-CG 3.21Å; E496-Q500 PolarHBondContact O-N 3.49Å
497	I	85	Confident	83.8	Confident	6 Å²	6	62.8 Å²	62.8	3%	0.031	33%	0.325	C	S	.	.	H	α-helix	trans	-57.9	-47.1	175	-69.9	166	0	0	0	109.5	I403 K406 K407 L410 L493 C495 D499 Q500 E501	I403-I497 HydrophobicContact CG2-CG2 4.34Å; K406-I497 HydrophobicContact CB-CD1 3.81Å; K406-I497 HydrophobicContact CB-CG1 3.56Å; K406-I497 HydrophobicContact CD-CG1 4.18Å; K406-I497 HydrophobicContact CG-CG1 4.5Å; K407-I497 HydrophobicContact CG-CD1 4.22Å; K407-I497 HydrophobicContact CG-CG2 4.46Å; L410-I497 HydrophobicContact CD2-CD1 4.32Å; L493-I497 HydrophobicContact CG-CD1 4.18Å; L493-I497 WeakPolarHBondContact O-CD1 3.46Å; L493-I497 WeakPolarHBondContact O-CG1 3.28Å; L493-I497 PolarHBondContact O-N 2.9Å; L493-I497 VanDerWaalsContact O-N 3.07Å; C495-I497 PolarHBondContact O-N 2.8Å; I497-D499 PolarHBondContact O-N 2.86Å; I497-Q500 PolarHBondContact O-N 3.47Å; I497-E501 HydrophobicContact CG2-CG 4.4Å; I497-E501 WeakPolarHBondContact O-CB 3.46Å; I497-E501 WeakPolarHBondContact O-CG 3.23Å; I497-E501 PolarHBondContact O-N 2.93Å
498	R	84.7	Confident	84.1	Confident	120 Å²	120	60.6 Å²	60.6	45%	0.453	31%	0.313	S	S	.	.	H	α-helix	trans	-62.2	-44.9	-179.2	-178	-171.4	69.1	177.6	-1.7	112.1	H494 C495 E496 Q500 E501 T502	H494-R498 VanDerWaalsContact O-CB 3.31Å; H494-R498 WeakPolarHBondContact O-CB 3.39Å; H494-R498 PolarHBondContact O-N 3.44Å; C495-R498 WeakPolarHBondContact O-CB 3.37Å; C495-R498 PolarHBondContact O-N 2.84Å; E496-R498 VanDerWaalsContact C-N 3.29Å; E496-R498 PolarHBondContact O-N 3.3Å; R498-Q500 VanDerWaalsContact C-N 3.35Å; R498-E501 PolarHBondContact O-N 3.3Å; R498-T502 VanDerWaalsContact O-CB 3.31Å; R498-T502 WeakPolarHBondContact O-CB 3.45Å; R498-T502 PolarHBondContact O-N 3.12Å; R498-T502 PolarHBondContact O-OG1 3.27Å
499	D	87.2	Confident	84.5	Confident	88 Å²	88	56.4 Å²	56.4	47%	0.471	28%	0.278	S	S	.	.	H	α-helix	trans	-69.1	-37.8	-176.3	-65.4	-6.9	0	0	0	110.4	C495 E496 I497 T502 L503	C495-D499 WeakPolarHBondContact O-CB 3.25Å; C495-D499 PolarHBondContact O-N 3.18Å; E496-D499 PolarHBondContact O-N 3.12Å; I497-D499 PolarHBondContact O-N 2.86Å; D499-T502 PolarHBondContact O-N 3.15Å; D499-L503 WeakPolarHBondContact O-CB 3.15Å; D499-L503 PolarHBondContact O-N 3.01Å
500	Q	88.3	Confident	84.8	Confident	36 Å²	36	53 Å²	53	17%	0.168	26%	0.264	C	S	.	.	H	α-helix	trans	-66.5	-44.9	172.8	-72.7	178.9	-45	0	0	112.4	E402 I403 E496 I497 R498 T502 L503 L504	E402-Q500 PolarHBondContact OE1-NE2 3.39Å; E402-Q500 PolarHBondContact OE2-NE2 2.97Å; I403-Q500 HydrophobicContact CD1-CB 3.76Å; I403-Q500 HydrophobicContact CG1-CB 3.84Å; E496-Q500 WeakPolarHBondContact O-CB 3.38Å; E496-Q500 WeakPolarHBondContact O-CG 3.21Å; E496-Q500 PolarHBondContact O-N 3.49Å; I497-Q500 PolarHBondContact O-N 3.47Å; R498-Q500 VanDerWaalsContact C-N 3.35Å; Q500-T502 VanDerWaalsContact C-N 3.28Å; Q500-T502 PolarHBondContact O-N 3.3Å; Q500-L503 WeakPolarHBondContact O-CB 3.38Å; Q500-L503 PolarHBondContact O-N 3.35Å; Q500-L504 WeakPolarHBondContact O-CG 3.47Å; Q500-L504 PolarHBondContact O-N 3.22Å
501	E	88.3	Confident	85.3	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-64	-35.7	175.2	-73.3	-177.6	136.6	0	0	111.8	R392 F393 T394 V395 I403 K407 I497 R498 L504 M505	R392-E501 IonicContact CZ-OE2 3.59Å; R392-E501 IonicContact NH1-OE2 3.43Å; R392-E501 PolarHBondContact NH1-OE2 2.92Å; R392-E501 IonicContact NH2-OE2 3.56Å; R392-E501 PolarHBondContact NH2-OE2 3.47Å; F393-E501 HydrophobicContact CD1-CB 4.48Å; T394-E501 WeakPolarHBondContact CA-OE1 3.34Å; V395-E501 HydrophobicContact CG1-CG 4.2Å; V395-E501 HydrophobicContact CG2-CG 4.03Å; V395-E501 PolarHBondContact N-OE1 2.85Å; V395-E501 VanDerWaalsContact N-OE1 3.13Å; I403-E501 HydrophobicContact CD1-CG 4.01Å; I403-E501 HydrophobicContact CG2-CG 4.33Å; K407-E501 WeakPolarHBondContact CE-OE1 3.24Å; K407-E501 IonicContact NZ-OE1 3.82Å; K407-E501 PolarHBondContact NZ-OE1 3.45Å; I497-E501 HydrophobicContact CG2-CG 4.4Å; I497-E501 WeakPolarHBondContact O-CB 3.46Å; I497-E501 WeakPolarHBondContact O-CG 3.23Å; I497-E501 PolarHBondContact O-N 2.93Å; R498-E501 PolarHBondContact O-N 3.3Å; E501-L504 PolarHBondContact O-N 3.44Å; E501-M505 WeakPolarHBondContact O-CB 3.29Å; E501-M505 PolarHBondContact O-N 2.85Å
502	T	86.1	Confident	86	Confident	65 Å²	65	55.7 Å²	55.7	40%	0.399	28%	0.275	S	S	.	.	H	α-helix	trans	-66	-39.9	174.1	-56.9	0	0	0	0	111.2	R498 D499 Q500 M505 Y506	R498-T502 VanDerWaalsContact O-CB 3.31Å; R498-T502 WeakPolarHBondContact O-CB 3.45Å; R498-T502 PolarHBondContact O-N 3.12Å; R498-T502 PolarHBondContact O-OG1 3.27Å; D499-T502 PolarHBondContact O-N 3.15Å; Q500-T502 VanDerWaalsContact C-N 3.28Å; Q500-T502 PolarHBondContact O-N 3.3Å; T502-M505 HydrophobicContact CG2-CE 4.36Å; T502-M505 WeakPolarHBondContact O-CB 3.42Å; T502-M505 PolarHBondContact O-N 2.93Å; T502-Y506 WeakPolarHBondContact O-CB 3.35Å; T502-Y506 PolarHBondContact O-N 3.23Å
503	L	88.8	Confident	86.3	Confident	97 Å²	97	52 Å²	52	51%	0.508	26%	0.255	S	S	.	.	H	α-helix	trans	-63.8	-43.7	174.7	-179.7	63	0	0	0	111.8	D499 Q500 Y506 Q507	D499-L503 WeakPolarHBondContact O-CB 3.15Å; D499-L503 PolarHBondContact O-N 3.01Å; Q500-L503 WeakPolarHBondContact O-CB 3.38Å; Q500-L503 PolarHBondContact O-N 3.35Å; L503-Y506 WeakPolarHBondContact O-CB 3.4Å; L503-Y506 PolarHBondContact O-N 3.08Å; L503-Q507 WeakPolarHBondContact O-CG 3.42Å; L503-Q507 PolarHBondContact O-N 3.31Å
504	L	87.7	Confident	86.4	Confident	28 Å²	28	55 Å²	55	15%	0.147	28%	0.282	C	S	.	.	H	α-helix	trans	-65.1	-39.9	175.3	-70.3	177.5	0	0	0	111.8	V395 I399 D400 I403 Q500 E501 Y506 Q507 L508	V395-L504 HydrophobicContact CG1-CB 4.29Å; V395-L504 HydrophobicContact CG1-CD1 3.94Å; V395-L504 HydrophobicContact CG2-CD1 4.35Å; I399-L504 HydrophobicContact CG2-CD1 4.4Å; D400-L504 HydrophobicContact CB-CD1 4.13Å; I403-L504 HydrophobicContact CD1-CD1 3.47Å; I403-L504 VanDerWaalsContact CD1-CD1 3.47Å; I403-L504 HydrophobicContact CD1-CG 4.5Å; Q500-L504 WeakPolarHBondContact O-CG 3.47Å; Q500-L504 PolarHBondContact O-N 3.22Å; E501-L504 PolarHBondContact O-N 3.44Å; L504-Y506 VanDerWaalsContact C-N 3.33Å; L504-Y506 PolarHBondContact O-N 2.9Å; L504-Q507 PolarHBondContact O-N 3.25Å; L504-L508 WeakPolarHBondContact O-CB 3.42Å; L504-L508 PolarHBondContact O-N 3.48Å
505	M	87.7	Confident	86.7	Confident	20 Å²	20	53.9 Å²	53.9	10%	0.099	27%	0.274	C	S	.	.	H	α-helix	trans	-58	-47	172.7	-172.3	-178.8	62.9	0	0	110.8	W333 F393 E501 T502 Q507 L508 Q509	W333-M505 HydrophobicContact CZ2-CG 3.87Å; F393-M505 HydrophobicContact CB-SD 3.8Å; F393-M505 HydrophobicContact CD1-CB 3.66Å; F393-M505 HydrophobicContact CD1-CG 4.08Å; F393-M505 HydrophobicContact CD1-SD 4.29Å; F393-M505 HydrophobicContact CD2-CB 4.4Å; F393-M505 HydrophobicContact CD2-CG 3.93Å; F393-M505 HydrophobicContact CD2-SD 3.93Å; F393-M505 HydrophobicContact CE1-CB 3.58Å; F393-M505 HydrophobicContact CE1-CG 4.14Å; F393-M505 HydrophobicContact CE2-CB 4.33Å; F393-M505 HydrophobicContact CE2-CG 3.99Å; F393-M505 HydrophobicContact CG-CB 4.07Å; F393-M505 HydrophobicContact CG-CG 3.96Å; F393-M505 HydrophobicContact CG-SD 3.75Å; F393-M505 HydrophobicContact CZ-CB 3.94Å; F393-M505 HydrophobicContact CZ-CG 4.1Å; E501-M505 WeakPolarHBondContact O-CB 3.29Å; E501-M505 PolarHBondContact O-N 2.85Å; T502-M505 HydrophobicContact CG2-CE 4.36Å; T502-M505 WeakPolarHBondContact O-CB 3.42Å; T502-M505 PolarHBondContact O-N 2.93Å; M505-Q507 PolarHBondContact O-N 2.98Å; M505-L508 WeakPolarHBondContact O-CB 2.91Å; M505-L508 PolarHBondContact O-N 3.5Å; M505-Q509 VanDerWaalsContact O-CG 3.28Å; M505-Q509 WeakPolarHBondContact O-CG 3.39Å; M505-Q509 PolarHBondContact O-N 3.33Å
506	Y	86.6	Confident	86.9	Confident	128 Å²	128	52.2 Å²	52.2	50%	0.502	26%	0.264	S	S	.	.	H	α-helix	trans	-60.8	-45.1	178	178.1	-102.7	0	0	0	112.1	T502 L503 L504 L508 Q509 C510	T502-Y506 WeakPolarHBondContact O-CB 3.35Å; T502-Y506 PolarHBondContact O-N 3.23Å; L503-Y506 WeakPolarHBondContact O-CB 3.4Å; L503-Y506 PolarHBondContact O-N 3.08Å; L504-Y506 VanDerWaalsContact C-N 3.33Å; L504-Y506 PolarHBondContact O-N 2.9Å; Y506-L508 VanDerWaalsContact C-N 3.31Å; Y506-L508 PolarHBondContact O-N 3.22Å; Y506-Q509 WeakPolarHBondContact O-CB 3.5Å; Y506-Q509 PolarHBondContact O-N 3.16Å; Y506-C510 PolarHBondContact O-N 3.34Å; Y506-C510 PolarHBondContact O-SG 3.22Å; Y506-C510 VanDerWaalsContact O-SG 3.34Å
507	Q	88.2	Confident	86.8	Confident	102 Å²	102	51.5 Å²	51.5	48%	0.477	27%	0.272	S	S	.	.	H	α-helix	trans	-60	-42	175	-70.2	174.8	7.7	0	0	112	L503 L504 M505 C510 Q511	L503-Q507 WeakPolarHBondContact O-CG 3.42Å; L503-Q507 PolarHBondContact O-N 3.31Å; L504-Q507 PolarHBondContact O-N 3.25Å; M505-Q507 PolarHBondContact O-N 2.98Å; Q507-C510 PolarHBondContact O-N 3.12Å; Q507-Q511 WeakPolarHBondContact O-CG 3.47Å; Q507-Q511 PolarHBondContact O-N 2.89Å; Q507-Q511 VanDerWaalsContact O-N 3.11Å
508	L	89.5	Confident	87	Confident	7 Å²	7	52.3 Å²	52.3	4%	0.037	28%	0.277	C	S	.	.	H	α-helix	trans	-64	-43.1	175.9	-177	63.9	0	0	0	111.4	W333 L377 V381 V382 F393 L504 M505 Y506 C510 Q511 V512	W333-L508 HydrophobicContact CE3-CD2 4.05Å; W333-L508 HydrophobicContact CH2-CB 4.1Å; W333-L508 HydrophobicContact CH2-CD2 3.57Å; W333-L508 HydrophobicContact CH2-CG 3.56Å; W333-L508 HydrophobicContact CZ2-CD2 4.14Å; W333-L508 HydrophobicContact CZ2-CG 4.44Å; W333-L508 HydrophobicContact CZ3-CD2 3.52Å; W333-L508 HydrophobicContact CZ3-CG 3.69Å; L377-L508 HydrophobicContact CB-CD1 3.91Å; V381-L508 HydrophobicContact CB-CD2 4.31Å; V381-L508 HydrophobicContact CG1-CD2 4.09Å; V382-L508 HydrophobicContact CG2-CD2 3.59Å; F393-L508 HydrophobicContact CZ-CD2 4.38Å; L504-L508 WeakPolarHBondContact O-CB 3.42Å; L504-L508 PolarHBondContact O-N 3.48Å; M505-L508 WeakPolarHBondContact O-CB 2.91Å; M505-L508 PolarHBondContact O-N 3.5Å; Y506-L508 VanDerWaalsContact C-N 3.31Å; Y506-L508 PolarHBondContact O-N 3.22Å; L508-C510 PolarHBondContact O-N 2.86Å; L508-Q511 PolarHBondContact O-N 3.49Å; L508-V512 WeakPolarHBondContact O-CG2 3.47Å; L508-V512 PolarHBondContact O-N 3.19Å
509	Q	89	Confident	87.2	Confident	3 Å²	3	46.8 Å²	46.8	1%	0.014	26%	0.257	C	S	.	.	H	α-helix	trans	-57.8	-47	175.1	-71.9	166.9	-24.3	0	0	111.1	M323 T328 W333 M505 Y506 Q511 V512 L513	M323-Q509 HydrophobicContact CB-CB 4.47Å; M323-Q509 HydrophobicContact CB-CG 4.27Å; M323-Q509 HydrophobicContact CG-CG 4.11Å; T328-Q509 VanDerWaalsContact CB-NE2 3.35Å; T328-Q509 PolarHBondContact OG1-NE2 3.46Å; W333-Q509 HydrophobicContact CH2-CG 3.77Å; W333-Q509 HydrophobicContact CZ2-CG 3.6Å; M505-Q509 VanDerWaalsContact O-CG 3.28Å; M505-Q509 WeakPolarHBondContact O-CG 3.39Å; M505-Q509 PolarHBondContact O-N 3.33Å; Y506-Q509 WeakPolarHBondContact O-CB 3.5Å; Y506-Q509 PolarHBondContact O-N 3.16Å; Q509-Q511 VanDerWaalsContact C-N 3.31Å; Q509-Q511 PolarHBondContact O-N 3.42Å; Q509-V512 PolarHBondContact O-N 3.03Å; Q509-L513 WeakPolarHBondContact O-CB 2.99Å; Q509-L513 VanDerWaalsContact O-CG 3.28Å; Q509-L513 WeakPolarHBondContact O-CG 3.48Å; Q509-L513 PolarHBondContact O-N 2.93Å
510	C	85.5	Confident	87.2	Confident	53 Å²	53	44.7 Å²	44.7	36%	0.358	25%	0.247	S	C	.	.	H	α-helix	trans	-58.2	-42.2	176.6	-68.1	0	0	0	0	112.2	Y506 Q507 L508 V512 L513 A514	Y506-C510 PolarHBondContact O-N 3.34Å; Y506-C510 PolarHBondContact O-SG 3.22Å; Y506-C510 VanDerWaalsContact O-SG 3.34Å; Q507-C510 PolarHBondContact O-N 3.12Å; L508-C510 PolarHBondContact O-N 2.86Å; C510-V512 PolarHBondContact O-N 3.32Å; C510-L513 PolarHBondContact O-N 2.76Å; C510-A514 WeakPolarHBondContact O-CB 3.35Å; C510-A514 PolarHBondContact O-N 2.7Å
511	Q	87.7	Confident	87.3	Confident	91 Å²	91	48.1 Å²	48.1	43%	0.425	26%	0.259	S	S	.	.	H	α-helix	trans	-66.8	-35	178.9	-71.7	-67.5	-20	0	0	113.4	L377 Q507 L508 Q509 R515	L377-Q511 HydrophobicContact CD1-CB 4.2Å; Q507-Q511 WeakPolarHBondContact O-CG 3.47Å; Q507-Q511 PolarHBondContact O-N 2.89Å; Q507-Q511 VanDerWaalsContact O-N 3.11Å; L508-Q511 PolarHBondContact O-N 3.49Å; Q509-Q511 VanDerWaalsContact C-N 3.31Å; Q509-Q511 PolarHBondContact O-N 3.42Å; Q511-R515 PolarHBondContact O-NH1 2.55Å; Q511-R515 VanDerWaalsContact OE1-NH1 3.16Å
512	V	88.8	Confident	87.5	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-72.2	-46.2	174.3	173.3	0	0	0	0	110.6	L320 M323 W333 L336 I374 L508 Q509 C510 A514 R515 A516 L519	L320-V512 HydrophobicContact CD2-CG1 4.32Å; M323-V512 HydrophobicContact SD-CB 4.38Å; M323-V512 HydrophobicContact SD-CG1 3.93Å; W333-V512 HydrophobicContact CZ3-CG2 4.23Å; L336-V512 HydrophobicContact CD2-CG1 3.89Å; I374-V512 HydrophobicContact CG2-CG2 4.32Å; L508-V512 WeakPolarHBondContact O-CG2 3.47Å; L508-V512 PolarHBondContact O-N 3.19Å; Q509-V512 PolarHBondContact O-N 3.03Å; C510-V512 PolarHBondContact O-N 3.32Å; V512-A514 VanDerWaalsContact C-N 3.28Å; V512-A514 PolarHBondContact O-N 2.74Å; V512-R515 CarbonylContact O-C 3.58Å; V512-R515 PolarHBondContact O-N 3.01Å; V512-A516 PolarHBondContact O-N 2.92Å; V512-L519 HydrophobicContact CG1-CD1 4.14Å
513	L	85.1	Confident	87.7	Confident	27 Å²	27	45.5 Å²	45.5	14%	0.141	24%	0.243	C	C	.	.	H	α-helix	trans	-60.4	-37.5	179.3	-74.8	170.5	0	0	0	112	L320 M323 Q509 C510 R515 A516	L320-L513 HydrophobicContact CD2-CD2 4.15Å; M323-L513 HydrophobicContact CB-CD1 4.36Å; M323-L513 HydrophobicContact CB-CD2 4.29Å; M323-L513 HydrophobicContact CB-CG 4.36Å; Q509-L513 WeakPolarHBondContact O-CB 2.99Å; Q509-L513 VanDerWaalsContact O-CG 3.28Å; Q509-L513 WeakPolarHBondContact O-CG 3.48Å; Q509-L513 PolarHBondContact O-N 2.93Å; C510-L513 PolarHBondContact O-N 2.76Å; L513-R515 PolarHBondContact O-N 2.68Å; L513-R515 VanDerWaalsContact O-N 3.07Å; L513-A516 WeakPolarHBondContact O-CB 3.36Å; L513-A516 PolarHBondContact O-N 2.82Å
514	A	84.3	Confident	87.8	Confident	75 Å²	75	42.9 Å²	42.9	62%	0.62	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-22.2	174.3	0	0	0	0	0	113.6	C510 V512	C510-A514 WeakPolarHBondContact O-CB 3.35Å; C510-A514 PolarHBondContact O-N 2.7Å; V512-A514 VanDerWaalsContact C-N 3.28Å; V512-A514 PolarHBondContact O-N 2.74Å
515	R	86.2	Confident	88.1	Confident	56 Å²	56	41.9 Å²	41.9	21%	0.211	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.6	15.9	179.6	-65.3	171.8	178.2	92.9	-3.1	112.9	D370 H373 I374 Q511 V512 L513 A517 V518	D370-R515 HydrophobicContact CB-CG 4.45Å; D370-R515 IonicContact OD1-NE 3.1Å; D370-R515 PolarHBondContact OD1-NE 3.18Å; H373-R515 PolarHBondContact CD2-NH2 2.64Å; H373-R515 VanDerWaalsContact CD2-NH2 3.27Å; H373-R515 PolarHBondContact NE2-NH2 3.1Å; I374-R515 HydrophobicContact CD1-CB 3.89Å; I374-R515 HydrophobicContact CG1-CB 4.39Å; Q511-R515 PolarHBondContact O-NH1 2.55Å; Q511-R515 VanDerWaalsContact OE1-NH1 3.16Å; V512-R515 CarbonylContact O-C 3.58Å; V512-R515 PolarHBondContact O-N 3.01Å; L513-R515 PolarHBondContact O-N 2.68Å; L513-R515 VanDerWaalsContact O-N 3.07Å; R515-A517 PolarHBondContact O-N 2.89Å; R515-A517 VanDerWaalsContact O-N 3.12Å; R515-V518 PolarHBondContact O-N 3.18Å; R515-V518 VanDerWaalsContact O-N 3.16Å
516	A	84.8	Confident	88.4	Confident	10 Å²	10	41 Å²	41	8%	0.083	22%	0.219	C	C	.	.	H	α-helix	trans	-58.1	-28.2	-178	0	0	0	0	0	113.6	L320 V512 L513 V518 L519 T520	L320-A516 HydrophobicContact CD1-CB 4.01Å; L320-A516 HydrophobicContact CD2-CB 4.14Å; V512-A516 PolarHBondContact O-N 2.92Å; L513-A516 WeakPolarHBondContact O-CB 3.36Å; L513-A516 PolarHBondContact O-N 2.82Å; A516-V518 VanDerWaalsContact C-N 3.31Å; A516-V518 PolarHBondContact O-N 3.46Å; A516-L519 WeakPolarHBondContact O-CB 3.47Å; A516-L519 PolarHBondContact O-N 3.03Å; A516-T520 PolarHBondContact O-N 2.83Å; A516-T520 PolarHBondContact O-OG1 3.47Å
517	A	83.5	Confident	88.8	Confident	70 Å²	70	35.2 Å²	35.2	58%	0.579	20%	0.198	S	C	*	.	H	α-helix	trans	-59.1	-40.3	178.2	0	0	0	0	0	112.8	R515 T520 R521	R515-A517 PolarHBondContact O-N 2.89Å; R515-A517 VanDerWaalsContact O-N 3.12Å; A517-T520 PolarHBondContact O-N 3.46Å; A517-R521 PolarHBondContact O-N 3.3Å
518	V	88.7	Confident	89.1	Confident	22 Å²	22	34.6 Å²	34.6	13%	0.133	19%	0.191	C	C	.	.	H	α-helix	trans	-66.3	-41	178.3	-176.9	0	0	0	0	110.1	D370 L371 R515 A516 T520 R521 V522	D370-V518 HydrophobicContact CB-CG2 4.17Å; L371-V518 HydrophobicContact CD1-CG1 4.3Å; L371-V518 HydrophobicContact CD2-CG1 3.88Å; L371-V518 HydrophobicContact CG-CG1 3.77Å; R515-V518 PolarHBondContact O-N 3.18Å; R515-V518 VanDerWaalsContact O-N 3.16Å; A516-V518 VanDerWaalsContact C-N 3.31Å; A516-V518 PolarHBondContact O-N 3.46Å; V518-T520 PolarHBondContact O-N 3.07Å; V518-R521 WeakPolarHBondContact O-CB 3.37Å; V518-R521 PolarHBondContact O-N 2.84Å; V518-V522 WeakPolarHBondContact O-CG2 3.37Å; V518-V522 PolarHBondContact O-N 2.93Å
519	L	90.1	Very high	89.4	Confident	4 Å²	4	34.2 Å²	34.2	2%	0.021	19%	0.189	C	C	.	.	H	α-helix	trans	-62.8	-42.5	176.4	-65.9	175	0	0	0	112.2	V316 L320 L336 V340 L371 I374 V512 A516 R521 V522 L523	V316-L519 HydrophobicContact CG1-CB 3.93Å; V316-L519 HydrophobicContact CG1-CD1 4.07Å; V316-L519 HydrophobicContact CG1-CG 4.45Å; L320-L519 HydrophobicContact CD2-CD1 3.98Å; L336-L519 HydrophobicContact CD1-CD1 4.11Å; L336-L519 HydrophobicContact CD1-CD2 4.39Å; V340-L519 HydrophobicContact CG2-CD2 3.71Å; L371-L519 HydrophobicContact CD2-CD2 3.89Å; I374-L519 HydrophobicContact CD1-CD1 4.43Å; I374-L519 HydrophobicContact CD1-CD2 4.28Å; I374-L519 HydrophobicContact CD1-CG 4.26Å; V512-L519 HydrophobicContact CG1-CD1 4.14Å; A516-L519 WeakPolarHBondContact O-CB 3.47Å; A516-L519 PolarHBondContact O-N 3.03Å; L519-R521 VanDerWaalsContact C-N 3.29Å; L519-R521 PolarHBondContact O-N 2.77Å; L519-V522 WeakPolarHBondContact O-CB 3.42Å; L519-V522 PolarHBondContact O-N 2.7Å; L519-L523 WeakPolarHBondContact O-CG 3.43Å; L519-L523 PolarHBondContact O-N 2.83Å; L519-L523 VanDerWaalsContact O-N 3.12Å
520	T	87.1	Confident	89.8	Confident	45 Å²	45	34.1 Å²	34.1	28%	0.276	19%	0.189	S	C	.	.	H	α-helix	trans	-62.5	-38.4	174.9	-58.2	0	0	0	0	111.6	A516 A517 V518 L523 D524	A516-T520 PolarHBondContact O-N 2.83Å; A516-T520 PolarHBondContact O-OG1 3.47Å; A517-T520 PolarHBondContact O-N 3.46Å; V518-T520 PolarHBondContact O-N 3.07Å; T520-L523 PolarHBondContact O-N 3.23Å; T520-D524 PolarHBondContact O-N 3.13Å; T520-D524 VanDerWaalsContact O-N 3.16Å
521	R	89.8	Confident	90.3	Very high	107 Å²	107	31.6 Å²	31.6	40%	0.404	17%	0.172	S	C	.	.	H	α-helix	trans	-66.5	-37.9	175.1	-177.1	62.9	70.6	-150.6	-3	112.2	E366 A517 V518 L519 L523 D524 L525	E366-R521 HydrophobicContact CB-CG 3.85Å; E366-R521 HydrophobicContact CG-CG 4.31Å; E366-R521 IonicContact OE2-NE 2.65Å; E366-R521 PolarHBondContact OE2-NE 3.02Å; A517-R521 PolarHBondContact O-N 3.3Å; V518-R521 WeakPolarHBondContact O-CB 3.37Å; V518-R521 PolarHBondContact O-N 2.84Å; L519-R521 VanDerWaalsContact C-N 3.29Å; L519-R521 PolarHBondContact O-N 2.77Å; R521-L523 VanDerWaalsContact C-N 3.32Å; R521-L523 PolarHBondContact O-N 3.19Å; R521-D524 IonicContact NH1-OD2 3.92Å; R521-D524 PolarHBondContact NH1-OD2 2.77Å; R521-D524 PolarHBondContact O-N 3.07Å; R521-L525 HydrophobicContact CG-CD1 4.13Å; R521-L525 PolarHBondContact O-N 3.27Å
522	V	91.9	Very high	90.8	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.012	15%	0.153	C	C	.	.	H	α-helix	trans	-56.2	-47.8	172.6	168.3	0	0	0	0	110.5	I313 A343 F367 L371 V518 L519 D524 L525 A526	I313-V522 HydrophobicContact CD1-CG1 4.41Å; A343-V522 HydrophobicContact CB-CG1 3.63Å; A343-V522 HydrophobicContact CB-CG2 4.17Å; F367-V522 HydrophobicContact CD1-CG2 3.86Å; F367-V522 HydrophobicContact CD2-CG2 4.28Å; F367-V522 HydrophobicContact CE1-CB 4.12Å; F367-V522 HydrophobicContact CE1-CG2 3.74Å; F367-V522 HydrophobicContact CE2-CG1 4.24Å; F367-V522 HydrophobicContact CE2-CG2 4.16Å; F367-V522 HydrophobicContact CG-CG2 4.16Å; F367-V522 HydrophobicContact CZ-CB 4.06Å; F367-V522 HydrophobicContact CZ-CG1 3.96Å; F367-V522 HydrophobicContact CZ-CG2 3.89Å; L371-V522 HydrophobicContact CD1-CG2 3.72Å; L371-V522 HydrophobicContact CD2-CG2 3.98Å; L371-V522 HydrophobicContact CG-CG2 4.44Å; V518-V522 WeakPolarHBondContact O-CG2 3.37Å; V518-V522 PolarHBondContact O-N 2.93Å; L519-V522 WeakPolarHBondContact O-CB 3.42Å; L519-V522 PolarHBondContact O-N 2.7Å; V522-D524 PolarHBondContact O-N 2.89Å; V522-L525 PolarHBondContact O-N 2.83Å; V522-A526 WeakPolarHBondContact O-CA 3.45Å; V522-A526 WeakPolarHBondContact O-CB 3.26Å; V522-A526 PolarHBondContact O-N 2.81Å
523	L	91.1	Very high	91.1	Very high	9 Å²	9	27.7 Å²	27.7	5%	0.047	15%	0.154	C	C	.	.	H	α-helix	trans	-62.3	-44.1	179.2	-61.4	168.6	0	0	0	112.7	W265 I313 V316 P317 L519 T520 R521 S527	W265-L523 HydrophobicContact CG-CD2 4.29Å; I313-L523 HydrophobicContact CG2-CD2 3.9Å; V316-L523 HydrophobicContact CB-CD1 4.05Å; V316-L523 HydrophobicContact CB-CD2 4.13Å; V316-L523 HydrophobicContact CB-CG 4.38Å; V316-L523 HydrophobicContact CG2-CD2 4.02Å; P317-L523 HydrophobicContact CG-CD1 3.4Å; L519-L523 WeakPolarHBondContact O-CG 3.43Å; L519-L523 PolarHBondContact O-N 2.83Å; L519-L523 VanDerWaalsContact O-N 3.12Å; T520-L523 PolarHBondContact O-N 3.23Å; R521-L523 VanDerWaalsContact C-N 3.32Å; R521-L523 PolarHBondContact O-N 3.19Å; L523-S527 WeakPolarHBondContact O-CB 3.35Å; L523-S527 PolarHBondContact O-N 3.49Å; L523-S527 PolarHBondContact O-OG 3.33Å
524	D	90.2	Very high	91.7	Very high	42 Å²	42	26.4 Å²	26.4	23%	0.225	15%	0.147	C	C	.	.	H	α-helix	trans	-61.4	-48.9	179.9	-179.9	28.6	0	0	0	111.3	T520 R521 V522 S527 R528	T520-D524 PolarHBondContact O-N 3.13Å; T520-D524 VanDerWaalsContact O-N 3.16Å; R521-D524 IonicContact NH1-OD2 3.92Å; R521-D524 PolarHBondContact NH1-OD2 2.77Å; R521-D524 PolarHBondContact O-N 3.07Å; V522-D524 PolarHBondContact O-N 2.89Å; D524-S527 PolarHBondContact O-OG 3.49Å; D524-R528 VanDerWaalsContact O-CG 3.26Å; D524-R528 WeakPolarHBondContact O-CG 3.15Å; D524-R528 PolarHBondContact O-N 2.83Å; D524-R528 IonicContact OD1-CZ 3.42Å; D524-R528 VanDerWaalsContact OD1-CZ 3.32Å; D524-R528 IonicContact OD1-NE 2.75Å; D524-R528 PolarHBondContact OD1-NE 3.11Å; D524-R528 IonicContact OD1-NH2 2.66Å; D524-R528 PolarHBondContact OD1-NH2 3.3Å; D524-R528 IonicContact OD2-CZ 3.89Å; D524-R528 IonicContact OD2-NH2 3.26Å; D524-R528 PolarHBondContact OD2-NH2 3.24Å; D524-R528 VanDerWaalsContact OD2-NH2 3.08Å
525	L	94.5	Very high	92.3	Very high	6 Å²	6	22.9 Å²	22.9	3%	0.031	12%	0.118	C	C	.	.	H	α-helix	trans	-75.7	-37	-179.2	-63.2	178.6	0	0	0	113	L359 D362 I363 E366 F367 R521 V522 R528 L529	L359-L525 HydrophobicContact CD1-CD2 4.14Å; D362-L525 HydrophobicContact CB-CD1 4.2Å; D362-L525 HydrophobicContact CB-CD2 4.26Å; I363-L525 HydrophobicContact CD1-CB 4.43Å; I363-L525 HydrophobicContact CG1-CB 3.73Å; I363-L525 HydrophobicContact CG1-CD1 4.13Å; I363-L525 HydrophobicContact CG1-CG 4.46Å; E366-L525 HydrophobicContact CB-CD1 3.93Å; E366-L525 HydrophobicContact CG-CD1 4.17Å; F367-L525 HydrophobicContact CD1-CD1 4.46Å; F367-L525 HydrophobicContact CE1-CB 4.03Å; F367-L525 HydrophobicContact CE1-CD1 3.98Å; F367-L525 HydrophobicContact CZ-CB 4.36Å; R521-L525 HydrophobicContact CG-CD1 4.13Å; R521-L525 PolarHBondContact O-N 3.27Å; V522-L525 PolarHBondContact O-N 2.83Å; L525-R528 PolarHBondContact O-N 2.89Å; L525-L529 PolarHBondContact O-N 3.41Å
526	A	94.6	Very high	92.8	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.008	11%	0.109	C	C	.	.	H	α-helix	trans	-66.7	-42.5	177.4	0	0	0	0	0	111.6	L310 I313 L346 V522 R528 L529 D530	L310-A526 HydrophobicContact CD2-CB 3.79Å; L310-A526 WeakPolarHBondContact CD2-O 3.5Å; I313-A526 HydrophobicContact CD1-CB 3.59Å; L346-A526 HydrophobicContact CD1-CB 4.39Å; V522-A526 WeakPolarHBondContact O-CA 3.45Å; V522-A526 WeakPolarHBondContact O-CB 3.26Å; V522-A526 PolarHBondContact O-N 2.81Å; A526-R528 PolarHBondContact O-N 2.84Å; A526-L529 PolarHBondContact O-N 2.73Å; A526-D530 WeakPolarHBondContact O-CB 3.44Å; A526-D530 PolarHBondContact O-N 2.92Å
527	S	93.4	Very high	93.3	Very high	8 Å²	8	20.9 Å²	20.9	6%	0.056	11%	0.112	C	C	.	.	H	α-helix	trans	-62.2	-42.4	175.2	57.4	0	0	0	0	111.5	W265 L523 D524 L529 D530 V531	W265-S527 WeakPolarHBondContact O-CB 3.19Å; L523-S527 WeakPolarHBondContact O-CB 3.35Å; L523-S527 PolarHBondContact O-N 3.49Å; L523-S527 PolarHBondContact O-OG 3.33Å; D524-S527 PolarHBondContact O-OG 3.49Å; S527-L529 VanDerWaalsContact C-N 3.33Å; S527-L529 PolarHBondContact O-N 2.87Å; S527-D530 PolarHBondContact O-N 3.43Å; S527-V531 VanDerWaalsContact O-CG2 3.29Å; S527-V531 WeakPolarHBondContact O-CG2 3.42Å; S527-V531 PolarHBondContact O-N 3.21Å
528	R	95.6	Very high	93.8	Very high	88 Å²	88	17.6 Å²	17.6	33%	0.332	9%	0.085	S	C	.	.	H	α-helix	trans	-58.7	-44.7	173.8	-71.6	173.2	-161.7	-155.1	6.8	112.1	L269 W273 L359 D524 L525 A526 L532	L269-R528 HydrophobicContact CD2-CB 4.17Å; L269-R528 HydrophobicContact CD2-CG 3.58Å; W273-R528 HydrophobicContact CZ2-CG 4.38Å; L359-R528 HydrophobicContact CD1-CB 4.1Å; D524-R528 VanDerWaalsContact O-CG 3.26Å; D524-R528 WeakPolarHBondContact O-CG 3.15Å; D524-R528 PolarHBondContact O-N 2.83Å; D524-R528 IonicContact OD1-CZ 3.42Å; D524-R528 VanDerWaalsContact OD1-CZ 3.32Å; D524-R528 IonicContact OD1-NE 2.75Å; D524-R528 PolarHBondContact OD1-NE 3.11Å; D524-R528 IonicContact OD1-NH2 2.66Å; D524-R528 PolarHBondContact OD1-NH2 3.3Å; D524-R528 IonicContact OD2-CZ 3.89Å; D524-R528 IonicContact OD2-NH2 3.26Å; D524-R528 PolarHBondContact OD2-NH2 3.24Å; D524-R528 VanDerWaalsContact OD2-NH2 3.08Å; L525-R528 PolarHBondContact O-N 2.89Å; A526-R528 PolarHBondContact O-N 2.84Å; R528-L532 WeakPolarHBondContact O-CD1 3.32Å; R528-L532 VanDerWaalsContact O-CG 3.24Å; R528-L532 WeakPolarHBondContact O-CG 3.45Å; R528-L532 PolarHBondContact O-N 3.41Å
529	L	96.3	Very high	94.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-62.9	-44.7	177.6	-179.4	61.9	0	0	0	111.5	F294 L306 L310 L346 L359 F360 I363 L525 A526 S527 L532 L533	F294-L529 HydrophobicContact CE2-CD1 3.95Å; F294-L529 HydrophobicContact CZ-CD1 4.26Å; L306-L529 HydrophobicContact CD1-CD2 4.4Å; L306-L529 HydrophobicContact CD2-CD2 4.43Å; L310-L529 HydrophobicContact CD1-CD2 4.42Å; L310-L529 HydrophobicContact CD1-CG 4.3Å; L346-L529 HydrophobicContact CD2-CD2 4.31Å; L359-L529 HydrophobicContact CD2-CB 4.3Å; L359-L529 HydrophobicContact CD2-CD1 4.25Å; F360-L529 HydrophobicContact CE1-CD1 4.01Å; I363-L529 HydrophobicContact CD1-CB 4.16Å; I363-L529 HydrophobicContact CD1-CD2 3.93Å; L525-L529 PolarHBondContact O-N 3.41Å; A526-L529 PolarHBondContact O-N 2.73Å; S527-L529 VanDerWaalsContact C-N 3.33Å; S527-L529 PolarHBondContact O-N 2.87Å; L529-L532 PolarHBondContact O-N 3.08Å; L529-L533 HydrophobicContact CD1-CD1 4.08Å; L529-L533 HydrophobicContact CD1-CG 4.21Å; L529-L533 HydrophobicContact CG-CD1 3.86Å; L529-L533 HydrophobicContact CG-CG 4.42Å; L529-L533 WeakPolarHBondContact O-CB 3.35Å; L529-L533 WeakPolarHBondContact O-CG 3.29Å; L529-L533 PolarHBondContact O-N 3.06Å
530	D	96.3	Very high	94.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-61.3	-46.5	179.4	-167.1	37.1	0	0	0	112	C261 H262 C263 H307 L310 A526 S527 L532 L533 A534	C261-D530 WeakPolarHBondContact CA-OD2 3.46Å; C261-D530 VanDerWaalsContact CB-OD2 3.25Å; C261-D530 WeakPolarHBondContact CB-OD2 3.2Å; H262-D530 PolarHBondContact N-OD1 2.95Å; H262-D530 PolarHBondContact N-OD2 2.95Å; C263-D530 PolarHBondContact N-OD2 2.9Å; C263-D530 PolarHBondContact SG-OD2 3.47Å; H307-D530 IonicContact CD2-OD1 3.38Å; H307-D530 IonicContact NE2-OD1 2.72Å; L310-D530 HydrophobicContact CD1-CB 3.87Å; L310-D530 HydrophobicContact CD2-CB 4.28Å; A526-D530 WeakPolarHBondContact O-CB 3.44Å; A526-D530 PolarHBondContact O-N 2.92Å; S527-D530 PolarHBondContact O-N 3.43Å; D530-L532 VanDerWaalsContact C-N 3.32Å; D530-L532 PolarHBondContact O-N 3.35Å; D530-L533 PolarHBondContact O-N 3.26Å; D530-A534 VanDerWaalsContact O-CB 3.31Å; D530-A534 WeakPolarHBondContact O-CB 3.35Å; D530-A534 PolarHBondContact O-N 2.8Å
531	V	97.2	Very high	94.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-58.4	-44.6	176.1	175.3	0	0	0	0	111.6	G266 L269 L270 W273 S527 A534 L535	G266-V531 WeakPolarHBondContact O-CG2 3.27Å; L269-V531 HydrophobicContact CB-CG2 3.94Å; L269-V531 HydrophobicContact CD2-CG2 4.05Å; L269-V531 HydrophobicContact CG-CG2 4.1Å; L270-V531 HydrophobicContact CB-CG1 4.13Å; L270-V531 HydrophobicContact CB-CG2 3.91Å; L270-V531 HydrophobicContact CD1-CG1 3.75Å; W273-V531 HydrophobicContact CD2-CG1 4.21Å; W273-V531 HydrophobicContact CE3-CG1 3.46Å; W273-V531 VanDerWaalsContact CE3-CG1 3.46Å; W273-V531 HydrophobicContact CH2-CB 4.33Å; W273-V531 HydrophobicContact CH2-CG1 3.97Å; W273-V531 HydrophobicContact CZ3-CB 4.14Å; W273-V531 HydrophobicContact CZ3-CG1 3.31Å; S527-V531 VanDerWaalsContact O-CG2 3.29Å; S527-V531 WeakPolarHBondContact O-CG2 3.42Å; S527-V531 PolarHBondContact O-N 3.21Å; V531-A534 WeakPolarHBondContact O-CB 3.27Å; V531-A534 PolarHBondContact O-N 2.71Å; V531-L535 HydrophobicContact CG1-CD1 4.2Å; V531-L535 WeakPolarHBondContact O-CG 3.4Å; V531-L535 PolarHBondContact O-N 2.73Å
532	L	97.2	Very high	94.8	Very high	6 Å²	6	20.5 Å²	20.5	3%	0.031	10%	0.095	C	C	.	.	H	α-helix	trans	-71.3	-36.2	-177.6	-67	168.1	0	0	0	112.2	W273 R287 V290 I291 L359 R528 L529 D530 A536	W273-L532 HydrophobicContact CH2-CD1 4.38Å; W273-L532 HydrophobicContact CH2-CD2 3.88Å; W273-L532 HydrophobicContact CH2-CG 3.95Å; W273-L532 HydrophobicContact CZ3-CD2 3.78Å; W273-L532 HydrophobicContact CZ3-CG 4.2Å; R287-L532 HydrophobicContact CB-CD2 3.65Å; R287-L532 HydrophobicContact CG-CD2 3.95Å; V290-L532 HydrophobicContact CB-CB 4.34Å; V290-L532 HydrophobicContact CB-CD1 3.85Å; V290-L532 HydrophobicContact CG1-CB 3.75Å; V290-L532 HydrophobicContact CG1-CD1 3.82Å; V290-L532 HydrophobicContact CG1-CG 4.36Å; V290-L532 HydrophobicContact CG2-CD1 3.95Å; I291-L532 HydrophobicContact CD1-CD2 4.06Å; I291-L532 HydrophobicContact CG1-CB 4.46Å; I291-L532 HydrophobicContact CG1-CD2 4.03Å; L359-L532 HydrophobicContact CD2-CD1 3.6Å; R528-L532 WeakPolarHBondContact O-CD1 3.32Å; R528-L532 VanDerWaalsContact O-CG 3.24Å; R528-L532 WeakPolarHBondContact O-CG 3.45Å; R528-L532 PolarHBondContact O-N 3.41Å; L529-L532 PolarHBondContact O-N 3.08Å; D530-L532 VanDerWaalsContact C-N 3.32Å; D530-L532 PolarHBondContact O-N 3.35Å; L532-A536 WeakPolarHBondContact O-CB 3.36Å; L532-A536 PolarHBondContact O-N 3.14Å
533	L	96.2	Very high	94.9	Very high	4 Å²	4	22.7 Å²	22.7	2%	0.021	12%	0.118	C	C	.	.	H	α-helix	trans	-67.3	-38.4	172.3	-72.1	167.7	0	0	0	111.7	F294 A303 L306 H307 L310 L529 D530 A536 S537	F294-L533 HydrophobicContact CB-CD2 4.17Å; F294-L533 HydrophobicContact CD1-CD2 3.72Å; F294-L533 HydrophobicContact CD2-CD2 3.38Å; F294-L533 HydrophobicContact CD2-CG 4.22Å; F294-L533 HydrophobicContact CE1-CD2 3.86Å; F294-L533 HydrophobicContact CE2-CD2 3.51Å; F294-L533 HydrophobicContact CE2-CG 4.12Å; F294-L533 HydrophobicContact CG-CD2 3.49Å; F294-L533 VanDerWaalsContact CG-CD2 3.49Å; F294-L533 HydrophobicContact CZ-CD2 3.76Å; A303-L533 HydrophobicContact CB-CD2 3.8Å; L306-L533 HydrophobicContact CB-CD1 3.78Å; L306-L533 HydrophobicContact CD1-CD1 4.35Å; H307-L533 WeakPolarHBondContact NE2-CB 3.35Å; L310-L533 HydrophobicContact CD1-CD1 3.66Å; L529-L533 HydrophobicContact CD1-CD1 4.08Å; L529-L533 HydrophobicContact CD1-CG 4.21Å; L529-L533 HydrophobicContact CG-CD1 3.86Å; L529-L533 HydrophobicContact CG-CG 4.42Å; L529-L533 WeakPolarHBondContact O-CB 3.35Å; L529-L533 WeakPolarHBondContact O-CG 3.29Å; L529-L533 PolarHBondContact O-N 3.06Å; D530-L533 PolarHBondContact O-N 3.26Å; L533-A536 PolarHBondContact O-N 3.29Å; L533-S537 WeakPolarHBondContact O-CB 3.4Å; L533-S537 PolarHBondContact O-N 3.33Å
534	A	95.9	Very high	95.2	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-61.4	-47.8	174.5	0	0	0	0	0	111.6	R260 D530 V531 A536 S537 A538	R260-A534 VanDerWaalsContact C-CB 3.48Å; R260-A534 HydrophobicContact CB-CB 3.96Å; D530-A534 VanDerWaalsContact O-CB 3.31Å; D530-A534 WeakPolarHBondContact O-CB 3.35Å; D530-A534 PolarHBondContact O-N 2.8Å; V531-A534 WeakPolarHBondContact O-CB 3.27Å; V531-A534 PolarHBondContact O-N 2.71Å; A534-A536 VanDerWaalsContact C-N 3.35Å; A534-A536 PolarHBondContact O-N 3.12Å; A534-S537 WeakPolarHBondContact O-CB 3.43Å; A534-S537 PolarHBondContact O-N 3.46Å; A534-A538 PolarHBondContact O-N 3.46Å
535	L	97.3	Very high	95.4	Very high	1 Å²	1	22 Å²	22	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-62.9	-39.2	175.1	-68.9	177	0	0	0	112	L258 L270 W273 I291 V531 A538 A539	L258-L535 HydrophobicContact CB-CD2 4.12Å; L258-L535 HydrophobicContact CD1-CD2 4.13Å; L258-L535 HydrophobicContact CD2-CD2 4.31Å; L258-L535 HydrophobicContact CG-CD2 4.41Å; L270-L535 HydrophobicContact CD1-CD2 4.14Å; L270-L535 HydrophobicContact CD1-CG 4.42Å; W273-L535 HydrophobicContact CZ3-CD1 4.43Å; I291-L535 HydrophobicContact CD1-CB 3.87Å; I291-L535 HydrophobicContact CD1-CD1 4.12Å; I291-L535 HydrophobicContact CG1-CB 4.31Å; V531-L535 HydrophobicContact CG1-CD1 4.2Å; V531-L535 WeakPolarHBondContact O-CG 3.4Å; V531-L535 PolarHBondContact O-N 2.73Å; L535-A538 PolarHBondContact O-N 3.21Å; L535-A539 WeakPolarHBondContact O-CB 3.45Å; L535-A539 PolarHBondContact O-N 2.96Å
536	A	96.3	Very high	95.5	Very high	4 Å²	4	25.5 Å²	25.5	3%	0.033	13%	0.128	C	C	.	.	H	α-helix	trans	-65.3	-41.7	175.2	0	0	0	0	0	112.5	I291 F294 L295 L532 L533 A534 A539 R540	I291-A536 HydrophobicContact CB-CB 4.44Å; I291-A536 HydrophobicContact CG2-CB 3.91Å; F294-A536 HydrophobicContact CB-CB 4.04Å; L295-A536 VanDerWaalsContact CD2-O 3.3Å; L295-A536 WeakPolarHBondContact CD2-O 3.43Å; L532-A536 WeakPolarHBondContact O-CB 3.36Å; L532-A536 PolarHBondContact O-N 3.14Å; L533-A536 PolarHBondContact O-N 3.29Å; A534-A536 VanDerWaalsContact C-N 3.35Å; A534-A536 PolarHBondContact O-N 3.12Å; A536-A539 PolarHBondContact O-N 2.78Å; A536-R540 WeakPolarHBondContact O-CB 3.46Å; A536-R540 PolarHBondContact O-N 2.85Å
537	S	95.2	Very high	95.6	Very high	20 Å²	20	25.5 Å²	25.5	14%	0.14	13%	0.128	C	C	.	.	H	α-helix	trans	-60.1	-48.1	174.7	-179.3	0	0	0	0	111.2	R260 L533 A534 R540 D541	R260-S537 PolarHBondContact NH1-O 3.18Å; R260-S537 PolarHBondContact NH1-OG 2.78Å; L533-S537 WeakPolarHBondContact O-CB 3.4Å; L533-S537 PolarHBondContact O-N 3.33Å; A534-S537 WeakPolarHBondContact O-CB 3.43Å; A534-S537 PolarHBondContact O-N 3.46Å; S537-R540 PolarHBondContact O-N 2.99Å; S537-D541 PolarHBondContact O-N 2.87Å; S537-D541 VanDerWaalsContact O-N 3.15Å
538	A	94.6	Very high	95.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63.7	-42.9	176.7	0	0	0	0	0	112.2	L258 A534 L535 R540 D541 Y542	L258-A538 HydrophobicContact CD2-CB 3.63Å; A534-A538 PolarHBondContact O-N 3.46Å; L535-A538 PolarHBondContact O-N 3.21Å; A538-R540 VanDerWaalsContact C-N 3.3Å; A538-R540 PolarHBondContact O-N 3.18Å; A538-D541 PolarHBondContact O-N 3.4Å; A538-Y542 HydrophobicContact CB-CD2 4.17Å; A538-Y542 HydrophobicContact CB-CE2 4.07Å; A538-Y542 WeakPolarHBondContact O-CD2 3.48Å; A538-Y542 PolarHBondContact O-N 3.38Å
539	A	95.8	Very high	95.3	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.008	15%	0.145	C	C	.	.	H	α-helix	trans	-61.9	-37	178.4	0	0	0	0	0	112.7	L295 L535 A536 G543 Y544 F617	L295-A539 HydrophobicContact CD1-CB 4.33Å; L295-A539 HydrophobicContact CD2-CB 4.14Å; L535-A539 WeakPolarHBondContact O-CB 3.45Å; L535-A539 PolarHBondContact O-N 2.96Å; A536-A539 PolarHBondContact O-N 2.78Å; A539-G543 CarbonylContact O-C 3.6Å; A539-G543 WeakPolarHBondContact O-CA 3.39Å; A539-G543 PolarHBondContact O-N 3.14Å; A539-Y544 HydrophobicContact CB-CD2 4.35Å; A539-Y544 PolarHBondContact O-N 3.26Å; A539-F617 HydrophobicContact CB-CB 3.73Å; A539-F617 HydrophobicContact CB-CD1 4.46Å; A539-F617 HydrophobicContact CB-CG 4.21Å
540	R	94.6	Very high	94.5	Very high	95 Å²	95	30.7 Å²	30.7	36%	0.358	15%	0.149	S	C	.	.	H	α-helix	trans	-65.6	-50	175.2	-177.5	178.3	60.3	-140.3	-4.7	111.6	L295 L300 A536 S537 A538 Y542 G543	L295-R540 HydrophobicContact CD2-CB 3.74Å; L300-R540 VanDerWaalsContact CD1-NH1 3.25Å; A536-R540 WeakPolarHBondContact O-CB 3.46Å; A536-R540 PolarHBondContact O-N 2.85Å; S537-R540 PolarHBondContact O-N 2.99Å; A538-R540 VanDerWaalsContact C-N 3.3Å; A538-R540 PolarHBondContact O-N 3.18Å; R540-Y542 PolarHBondContact O-N 3.18Å; R540-G543 PolarHBondContact O-N 3.29Å
541	D	93.3	Very high	93.3	Very high	92 Å²	92	35 Å²	35	49%	0.492	18%	0.177	S	C	.	.	H	α-helix	trans	-69.9	-35.1	-172.9	-73.1	15.7	0	0	0	112.5	R260 S537 A538	R260-D541 IonicContact CZ-OD2 2.74Å; R260-D541 VanDerWaalsContact NH1-CG 3.27Å; R260-D541 IonicContact NH1-OD1 3.31Å; R260-D541 IonicContact NH1-OD2 3.88Å; R260-D541 PolarHBondContact NH1-OD2 2.91Å; R260-D541 IonicContact NH2-OD2 3.31Å; R260-D541 PolarHBondContact NH2-OD2 3.37Å; R260-D541 VanDerWaalsContact NH2-OD2 3.1Å; S537-D541 PolarHBondContact O-N 2.87Å; S537-D541 VanDerWaalsContact O-N 3.15Å; A538-D541 PolarHBondContact O-N 3.4Å
542	Y	93.5	Very high	91.7	Very high	51 Å²	51	42.8 Å²	42.8	20%	0.2	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	0.1	178.8	-54	-51.5	0	0	0	113.7	I257 R260 A538 R540 Y544 R562 L568	I257-Y542 HydrophobicContact CB-CE2 4.46Å; R260-Y542 PolarHBondContact NH2-OH 2.84Å; A538-Y542 HydrophobicContact CB-CD2 4.17Å; A538-Y542 HydrophobicContact CB-CE2 4.07Å; A538-Y542 WeakPolarHBondContact O-CD2 3.48Å; A538-Y542 PolarHBondContact O-N 3.38Å; R540-Y542 PolarHBondContact O-N 3.18Å; Y542-Y544 VanDerWaalsContact CB-CZ 3.47Å; Y542-Y544 HydrophobicContact CD2-CE1 4.4Å; Y542-Y544 AromaticContact CD2-CE2 3.92Å; Y542-Y544 HydrophobicContact CD2-CE2 3.92Å; Y542-Y544 AromaticContact CD2-CZ 3.72Å; Y542-Y544 HydrophobicContact CG-CE1 4.17Å; Y542-Y544 HydrophobicContact CG-CE2 4.47Å; Y542-Y544 AromaticContact CG-CZ 3.93Å; Y542-R562 PolarHBondContact O-NH1 3.05Å; Y542-R562 PolarHBondContact O-NH2 2.94Å; Y542-L568 HydrophobicContact CD1-CD2 4.03Å; Y542-L568 HydrophobicContact CE1-CD1 4.38Å; Y542-L568 HydrophobicContact CE1-CD2 3.64Å
543	G	93.5	Very high	90.1	Very high	48 Å²	48	44.2 Å²	44.2	50%	0.495	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	49	179.8	0	0	0	0	0	113.1	A539 R540 R562	A539-G543 CarbonylContact O-C 3.6Å; A539-G543 WeakPolarHBondContact O-CA 3.39Å; A539-G543 PolarHBondContact O-N 3.14Å; R540-G543 PolarHBondContact O-N 3.29Å; G543-R562 PolarHBondContact O-NH2 2.89Å
544	Y	96.8	Very high	88.9	Confident	16 Å²	16	47.2 Å²	47.2	6%	0.063	24%	0.237	C	C	.	.			trans	-82	152.4	178.5	-64.9	-12.4	0	0	0	112	L258 A539 Y542 P564 M611 V618 P619	L258-Y544 HydrophobicContact CD2-CE2 4.11Å; A539-Y544 HydrophobicContact CB-CD2 4.35Å; A539-Y544 PolarHBondContact O-N 3.26Å; Y542-Y544 VanDerWaalsContact CB-CZ 3.47Å; Y542-Y544 HydrophobicContact CD2-CE1 4.4Å; Y542-Y544 AromaticContact CD2-CE2 3.92Å; Y542-Y544 HydrophobicContact CD2-CE2 3.92Å; Y542-Y544 AromaticContact CD2-CZ 3.72Å; Y542-Y544 HydrophobicContact CG-CE1 4.17Å; Y542-Y544 HydrophobicContact CG-CE2 4.47Å; Y542-Y544 AromaticContact CG-CZ 3.93Å; Y544-P564 WeakPolarHBondContact OH-CB 3.49Å; Y544-M611 HydrophobicContact CD2-CE 3.81Å; Y544-M611 HydrophobicContact CE2-CE 3.42Å; Y544-M611 VanDerWaalsContact CE2-CE 3.42Å; Y544-V618 CarbonylContact C-O 3.57Å; Y544-V618 VanDerWaalsContact CA-O 3.31Å; Y544-V618 WeakPolarHBondContact CA-O 3.27Å; Y544-V618 VanDerWaalsContact CB-O 3.31Å; Y544-V618 WeakPolarHBondContact CB-O 3.11Å; Y544-P619 HydrophobicContact CD1-CB 3.78Å; Y544-P619 HydrophobicContact CE1-CB 3.48Å; Y544-P619 VanDerWaalsContact CE1-CB 3.48Å; Y544-P619 HydrophobicContact CE1-CG 4.3Å
545	S	95.8	Very high	88.2	Confident	22 Å²	22	47.3 Å²	47.3	15%	0.154	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-107.8	159.3	-179.5	63	0	0	0	0	112.2	P547 F617 V618 A620 E621	S545-P547 WeakPolarHBondContact O-CD 3.49Å; S545-F617 CarbonylContact O-C 3.52Å; S545-F617 WeakPolarHBondContact O-CA 3.49Å; S545-F617 WeakPolarHBondContact O-CB 3.19Å; S545-V618 PolarHBondContact N-O 2.92Å; S545-V618 PolarHBondContact O-N 3.24Å; S545-A620 WeakPolarHBondContact CB-O 3.41Å; S545-A620 PolarHBondContact OG-O 3.46Å; S545-E621 WeakPolarHBondContact CB-O 3.29Å; S545-E621 PolarHBondContact OG-O 2.85Å
546	R	96.9	Very high	87.8	Confident	78 Å²	78	47.3 Å²	47.3	29%	0.294	24%	0.239	S	C	.	.			trans	-75.7	120.3	178.2	-173.3	177.1	169.6	121.3	-4.9	109.8	L288 D289 F617	L288-R546 VanDerWaalsContact CB-CZ 3.42Å; L288-R546 VanDerWaalsContact CB-NH1 3.33Å; L288-R546 HydrophobicContact CD1-CG 4.19Å; L288-R546 PolarHBondContact O-NH1 2.97Å; D289-R546 IonicContact OD1-CZ 2.75Å; D289-R546 VanDerWaalsContact OD1-CZ 3.26Å; D289-R546 IonicContact OD1-NH1 3.72Å; D289-R546 PolarHBondContact OD1-NH1 3.19Å; D289-R546 IonicContact OD1-NH2 2.73Å; D289-R546 PolarHBondContact OD1-NH2 2.79Å; R546-F617 HydrophobicContact CB-CD1 4.16Å; R546-F617 HydrophobicContact CB-CE1 3.57Å; R546-F617 HydrophobicContact CB-CE2 4.14Å; R546-F617 HydrophobicContact CB-CZ 3.56Å; R546-F617 HydrophobicContact CG-CE1 4.34Å; R546-F617 HydrophobicContact CG-CE2 4.05Å; R546-F617 HydrophobicContact CG-CZ 3.83Å
547	P	95.2	Very high	87.6	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.006	26%	0.257	C	S	.	.			trans	-69.6	148.6	172	30	-34.3	0	0	0	110.9	L288 S545 A612 V618 A623	L288-P547 HydrophobicContact CD1-CG 3.99Å; L288-P547 HydrophobicContact CD2-CG 4.12Å; S545-P547 WeakPolarHBondContact O-CD 3.49Å; P547-A612 HydrophobicContact CB-CB 4.06Å; P547-A612 HydrophobicContact CG-CB 4.15Å; P547-V618 HydrophobicContact CB-CG1 4.43Å; P547-V618 HydrophobicContact CB-CG2 4.28Å; P547-V618 HydrophobicContact CG-CG1 4.3Å; P547-A623 CarbonylContact C-O 3.47Å; P547-A623 WeakPolarHBondContact CA-O 3.45Å; P547-A623 HydrophobicContact CB-CB 4.39Å
548	R	93.4	Very high	87.6	Confident	156 Å²	156	51.5 Å²	51.5	59%	0.589	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.3	143.3	169.4	-61.9	-176.5	-169.4	142.8	10.9	109	E622 A623 E624 I625	R548-E622 IonicContact NH2-OE1 2.71Å; R548-A623 PolarHBondContact N-O 2.7Å; R548-E624 CarbonylContact O-C 3.58Å; R548-E624 VanDerWaalsContact O-CA 3.28Å; R548-E624 WeakPolarHBondContact O-CA 3.28Å; R548-I625 PolarHBondContact O-N 3.14Å
549	Y	90.4	Very high	87.7	Confident	38 Å²	38	55.3 Å²	55.3	15%	0.149	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	131.6	173.4	-50.1	-77.8	0	0	0	109.1	L281 L284 L288 A612 I625	L281-Y549 HydrophobicContact CD2-CD1 4.22Å; L281-Y549 HydrophobicContact CD2-CD2 4.37Å; L281-Y549 HydrophobicContact CD2-CG 3.81Å; L284-Y549 HydrophobicContact CB-CE2 3.74Å; L284-Y549 HydrophobicContact CD1-CD1 4.33Å; L284-Y549 HydrophobicContact CD1-CE1 3.76Å; L284-Y549 HydrophobicContact CD1-CE2 4.21Å; L288-Y549 HydrophobicContact CD1-CE2 3.52Å; Y549-A612 HydrophobicContact CE1-CB 4.25Å; Y549-A612 PolarHBondContact OH-O 3.32Å; Y549-I625 WeakPolarHBondContact CA-O 3.1Å; Y549-I625 HydrophobicContact CD1-CB 4.31Å; Y549-I625 HydrophobicContact CE1-CB 4.5Å
550	S	79.7	Confident	87.7	Confident	12 Å²	12	57.9 Å²	57.9	8%	0.084	28%	0.282	C	S	.	.			trans	-128.2	123.4	175	53.5	0	0	0	0	109.7	Q552 V553 E624	S550-Q552 PolarHBondContact O-N 3.14Å; S550-V553 WeakPolarHBondContact OG-CB 3.39Å; S550-V553 VanDerWaalsContact OG-CG2 3.23Å; S550-V553 WeakPolarHBondContact OG-CG2 3.4Å; S550-E624 VanDerWaalsContact CB-OE1 3.28Å; S550-E624 WeakPolarHBondContact CB-OE1 3.21Å; S550-E624 PolarHBondContact OG-OE1 3.33Å
551	P	69.5	Low	87.8	Confident	90 Å²	90	53.3 Å²	53.3	58%	0.584	27%	0.265	S	S	*	.	S	Bend	trans	-68.7	-22	174.4	26.6	-32.3	0	0	0	111.6
552	Q	64.8	Low	87.9	Confident	164 Å²	164	51.1 Å²	51.1	77%	0.766	25%	0.25	S	C	*	.	S	Bend	trans	-78.9	-33	179.3	-57.2	92.4	-6.1	0	0	113.2	S550 L554	S550-Q552 PolarHBondContact O-N 3.14Å; Q552-L554 PolarHBondContact O-N 2.88Å
553	V	62.9	Low	88	Confident	36 Å²	36	49 Å²	49	22%	0.218	24%	0.242	C	C	.	.			trans	-84	105.2	178	-176.6	0	0	0	0	108.7	S550 G555 E624 G626	S550-V553 WeakPolarHBondContact OG-CB 3.39Å; S550-V553 VanDerWaalsContact OG-CG2 3.23Å; S550-V553 WeakPolarHBondContact OG-CG2 3.4Å; V553-G555 PolarHBondContact O-N 2.71Å; V553-G555 VanDerWaalsContact O-N 3.15Å; V553-E624 VanDerWaalsContact CG2-OE1 3.27Å; V553-E624 WeakPolarHBondContact CG2-OE1 3.39Å; V553-G626 VanDerWaalsContact O-CA 3.29Å; V553-G626 WeakPolarHBondContact O-CA 3.42Å
554	L	70.5	Confident	88.1	Confident	66 Å²	66	46.8 Å²	46.8	35%	0.346	22%	0.218	S	C	.	.			trans	-76.7	96.7	166.4	-64.6	168.8	0	0	0	107.4	Q552 G581 Q665 H702	Q552-L554 PolarHBondContact O-N 2.88Å; L554-G581 WeakPolarHBondContact O-CA 3.36Å; L554-Q665 HydrophobicContact CD2-CG 4.26Å; L554-H702 PolarHBondContact O-CE1 3.4Å; L554-H702 PolarHBondContact O-NE2 2.72Å
555	G	81.3	Confident	87.9	Confident	2 Å²	2	46.3 Å²	46.3	2%	0.021	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	145.1	-148.6	168.8	0	0	0	0	0	115.7	V553 C580 G626 H702	V553-G555 PolarHBondContact O-N 2.71Å; V553-G555 VanDerWaalsContact O-N 3.15Å; G555-C580 CarbonylContact C-O 3.59Å; G555-C580 VanDerWaalsContact CA-O 3.27Å; G555-C580 WeakPolarHBondContact CA-O 3.44Å; G555-G626 WeakPolarHBondContact O-CA 3.35Å; G555-G626 PolarHBondContact O-N 3.32Å; G555-H702 WeakPolarHBondContact CA-CE1 3.26Å; G555-H702 WeakPolarHBondContact CA-NE2 3.41Å; G555-H702 PolarHBondContact N-NE2 3.14Å
556	V	90	Very high	87.7	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.012	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	121.7	-173.4	174.9	0	0	0	0	108.9	I558 E579 C580 V605 T609 I625	V556-I558 HydrophobicContact CG1-CD1 3.47Å; V556-I558 VanDerWaalsContact CG1-CD1 3.47Å; V556-I558 HydrophobicContact CG1-CG1 3.66Å; V556-E579 CarbonylContact O-C 3.57Å; V556-C580 PolarHBondContact N-O 3.33Å; V556-C580 PolarHBondContact O-N 3.08Å; V556-V605 HydrophobicContact CG1-CG1 4.38Å; V556-T609 HydrophobicContact CG2-CG2 4.34Å; V556-I625 HydrophobicContact CG1-CD1 3.82Å; V556-I625 HydrophobicContact CG2-CD1 4.42Å
557	R	92.8	Very high	87.5	Confident	109 Å²	109	47.3 Å²	47.3	41%	0.411	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	120.5	171.9	171.6	-175.6	-69.1	147	-4.1	108.5	T578 E579 A623 E624	R557-T578 CarbonylContact C-O 3.51Å; R557-T578 VanDerWaalsContact CA-O 3.31Å; R557-T578 WeakPolarHBondContact CA-O 3.41Å; R557-E579 HydrophobicContact CG-CG 4.27Å; R557-E579 IonicContact NE-OE1 3.34Å; R557-A623 CarbonylContact O-C 3.2Å; R557-A623 WeakPolarHBondContact O-CA 3.32Å; R557-E624 HydrophobicContact CB-CB 4.23Å; R557-E624 IonicContact CZ-OE2 3.35Å; R557-E624 PolarHBondContact N-O 2.85Å; R557-E624 IonicContact NH1-OE2 3.72Å; R557-E624 PolarHBondContact NH1-OE2 3.12Å; R557-E624 PolarHBondContact O-N 3.34Å
558	I	94.7	Very high	87.2	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.01	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	122	-177.4	-59.4	165.2	0	0	0	106.8	V556 S577 T578 V605 I608 A620	V556-I558 HydrophobicContact CG1-CD1 3.47Å; V556-I558 VanDerWaalsContact CG1-CD1 3.47Å; V556-I558 HydrophobicContact CG1-CG1 3.66Å; I558-S577 CarbonylContact O-C 3.57Å; I558-S577 VanDerWaalsContact O-CA 3.23Å; I558-S577 WeakPolarHBondContact O-CA 3.49Å; I558-T578 PolarHBondContact N-O 2.8Å; I558-T578 PolarHBondContact O-N 3Å; I558-V605 HydrophobicContact CD1-CG1 4.5Å; I558-I608 HydrophobicContact CD1-CB 3.9Å; I558-I608 HydrophobicContact CD1-CD1 4.1Å; I558-I608 HydrophobicContact CD1-CG2 3.55Å; I558-I608 HydrophobicContact CG1-CG2 3.89Å; I558-I608 HydrophobicContact CG2-CD1 3.83Å; I558-I608 HydrophobicContact CG2-CG2 4.44Å; I558-A620 HydrophobicContact CG2-CB 3.79Å
559	Q	95.8	Very high	87	Confident	80 Å²	80	47.7 Å²	47.7	37%	0.374	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	126.5	173.3	-174.5	172.4	-0.2	0	0	109.3	G561 E621 E622	Q559-G561 VanDerWaalsContact C-N 3.27Å; Q559-G561 PolarHBondContact O-N 3.2Å; Q559-E621 HydrophobicContact CG-CB 4.48Å; Q559-E621 PolarHBondContact O-N 3.19Å; Q559-E622 HydrophobicContact CB-CB 4.17Å; Q559-E622 PolarHBondContact N-O 2.85Å
560	N	95.8	Very high	86.8	Confident	55 Å²	55	47.6 Å²	47.6	29%	0.294	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	48.3	48.6	179.5	-69.5	-30	0	0	0	112.9	P575 S577 E621	N560-P575 HydrophobicContact CB-CB 3.96Å; N560-P575 HydrophobicContact CB-CG 4.36Å; N560-S577 PolarHBondContact N-OG 3.42Å; N560-E621 HydrophobicContact CB-CB 4.06Å; N560-E621 PolarHBondContact ND2-OE2 3.3Å
561	G	96.6	Very high	86.8	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	143.4	177.1	0	0	0	0	0	111.6	Q559 P575 N576 Q604 P619	Q559-G561 VanDerWaalsContact C-N 3.27Å; Q559-G561 PolarHBondContact O-N 3.2Å; G561-P575 CarbonylContact O-C 3.54Å; G561-P575 VanDerWaalsContact O-CA 3.23Å; G561-P575 WeakPolarHBondContact O-CA 3.4Å; G561-N576 WeakPolarHBondContact CA-O 3.24Å; G561-N576 PolarHBondContact N-O 3.48Å; G561-N576 PolarHBondContact O-N 2.82Å; G561-Q604 PolarHBondContact O-NE2 3Å; G561-Q604 PolarHBondContact O-OE1 3.37Å; G561-P619 CarbonylContact C-O 3.56Å; G561-P619 WeakPolarHBondContact CA-O 3.21Å
562	R	96	Very high	87.7	Confident	46 Å²	46	61 Å²	61	17%	0.174	30%	0.301	C	S	.	.			trans	-120.6	145.8	176.9	-58.8	168.3	-72.7	154.4	-4.5	109.9	Y542 G543 P564 E567 F573 P575 P619	Y542-R562 PolarHBondContact O-NH1 3.05Å; Y542-R562 PolarHBondContact O-NH2 2.94Å; G543-R562 PolarHBondContact O-NH2 2.89Å; R562-P564 WeakPolarHBondContact O-CD 3.43Å; R562-E567 WeakPolarHBondContact CB-OE2 3.45Å; R562-E567 WeakPolarHBondContact CD-OE1 3.36Å; R562-E567 IonicContact CZ-OE1 3.82Å; R562-E567 IonicContact CZ-OE2 2.86Å; R562-E567 IonicContact NE-OE1 3.12Å; R562-E567 IonicContact NE-OE2 3.99Å; R562-E567 IonicContact NH1-OE1 2.98Å; R562-E567 PolarHBondContact NH1-OE1 3.04Å; R562-E567 IonicContact NH1-OE2 3.74Å; R562-E567 PolarHBondContact NH1-OE2 3.16Å; R562-F573 HydrophobicContact CB-CD1 4.07Å; R562-F573 HydrophobicContact CB-CE1 4Å; R562-F573 HydrophobicContact CG-CD1 4.14Å; R562-F573 HydrophobicContact CG-CE1 4.32Å; R562-P575 HydrophobicContact CG-CB 3.96Å; R562-P619 HydrophobicContact CB-CB 4.13Å; R562-P619 PolarHBondContact N-O 2.85Å; R562-P619 WeakPolarHBondContact O-CB 3.3Å; R562-P619 VanDerWaalsContact O-CG 3.22Å; R562-P619 WeakPolarHBondContact O-CG 3.38Å
563	H	95.7	Very high	88.9	Confident	7 Å²	7	55.5 Å²	55.5	3%	0.032	27%	0.274	C	S	.	.			trans	-83.4	115.2	175.3	-175.7	-51	0	0	0	109.1	L565 M566 E567 F573 I600 Q604 L607	H563-L565 VanDerWaalsContact C-N 3.35Å; H563-L565 PolarHBondContact ND1-N 3.22Å; H563-L565 PolarHBondContact O-N 3.22Å; H563-M566 HydrophobicContact CB-CB 3.96Å; H563-M566 PolarHBondContact ND1-N 3.42Å; H563-M566 PolarHBondContact O-N 3.37Å; H563-E567 VanDerWaalsContact O-CB 3.3Å; H563-E567 WeakPolarHBondContact O-CB 3.45Å; H563-E567 PolarHBondContact O-N 3.12Å; H563-F573 HydrophobicContact CB-CE2 3.79Å; H563-F573 HydrophobicContact CB-CZ 3.64Å; H563-F573 VanDerWaalsContact N-CZ 3.34Å; H563-I600 HydrophobicContact CB-CG2 4.03Å; H563-I600 PolarHBondContact CD2-O 3.3Å; H563-Q604 HydrophobicContact CB-CB 4.06Å; H563-Q604 HydrophobicContact CB-CG 4.35Å; H563-L607 WeakPolarHBondContact CE1-CD1 3.34Å
564	P	94.6	Very high	90.3	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-62.6	-36.9	-166.8	22.9	-32.8	0	0	0	113.7	L254 I257 Y544 R562 L568 L607 M611 P619	L254-P564 HydrophobicContact CD1-CB 4.36Å; L254-P564 HydrophobicContact CD1-CG 4.02Å; I257-P564 HydrophobicContact CD1-CB 3.89Å; Y544-P564 WeakPolarHBondContact OH-CB 3.49Å; R562-P564 WeakPolarHBondContact O-CD 3.43Å; P564-L568 WeakPolarHBondContact O-CG 3.47Å; P564-L607 HydrophobicContact CG-CB 4.2Å; P564-L607 HydrophobicContact CG-CD1 4.05Å; P564-M611 HydrophobicContact CG-SD 4.21Å; P564-P619 HydrophobicContact CB-CG 4.15Å; P564-P619 HydrophobicContact CG-CG 4.24Å
565	L	93.8	Very high	91.5	Very high	6 Å²	6	55.3 Å²	55.3	3%	0.031	28%	0.277	C	S	.	.	H	α-helix	trans	-79.2	-45.6	177.4	-54	174.2	0	0	0	113.3	Q231 L252 S253 I257 H563 E567 L568 C569	Q231-L565 HydrophobicContact CB-CD1 3.81Å; L252-L565 HydrophobicContact CD1-CD2 4.41Å; L252-L565 HydrophobicContact CG-CD2 4.44Å; S253-L565 VanDerWaalsContact C-CD2 3.47Å; S253-L565 WeakPolarHBondContact O-CD2 3.23Å; I257-L565 HydrophobicContact CD1-CD2 3.95Å; I257-L565 HydrophobicContact CG1-CD2 4.2Å; I257-L565 HydrophobicContact CG2-CD2 3.93Å; H563-L565 VanDerWaalsContact C-N 3.35Å; H563-L565 PolarHBondContact ND1-N 3.22Å; H563-L565 PolarHBondContact O-N 3.22Å; L565-E567 VanDerWaalsContact C-N 3.28Å; L565-E567 PolarHBondContact O-N 3.48Å; L565-L568 PolarHBondContact O-N 3.29Å; L565-L568 VanDerWaalsContact O-N 3.16Å; L565-C569 PolarHBondContact O-N 3.26Å
566	M	92	Very high	92.2	Very high	67 Å²	67	55.5 Å²	55.5	33%	0.33	28%	0.277	S	S	.	.	H	α-helix	trans	-65.4	-33.2	-178.9	-173.7	60.7	70.7	0	0	112	H563 L568 C569 A570 F573 I600	H563-M566 HydrophobicContact CB-CB 3.96Å; H563-M566 PolarHBondContact ND1-N 3.42Å; H563-M566 PolarHBondContact O-N 3.37Å; M566-L568 PolarHBondContact O-N 3.37Å; M566-C569 PolarHBondContact O-N 2.88Å; M566-C569 VanDerWaalsContact O-N 3.1Å; M566-A570 VanDerWaalsContact O-CB 3.3Å; M566-A570 WeakPolarHBondContact O-CB 3.35Å; M566-A570 PolarHBondContact O-N 2.85Å; M566-F573 HydrophobicContact CB-CD2 4.24Å; M566-F573 HydrophobicContact CB-CE2 3.95Å; M566-F573 HydrophobicContact CG-CD2 3.93Å; M566-F573 HydrophobicContact CG-CE2 3.81Å; M566-I600 HydrophobicContact CB-CG2 4.39Å; M566-I600 HydrophobicContact CE-CD1 3.57Å; M566-I600 HydrophobicContact CE-CG1 4.05Å; M566-I600 HydrophobicContact CG-CD1 4.35Å; M566-I600 HydrophobicContact CG-CG2 4.33Å; M566-I600 HydrophobicContact SD-CD1 4.45Å
567	E	91.7	Very high	92.4	Very high	55 Å²	55	58 Å²	58	26%	0.257	30%	0.295	S	S	.	.	H	α-helix	trans	-57.7	-34.4	174.2	-177.6	172	-165.8	0	0	112.3	R562 H563 L565 F573	R562-E567 WeakPolarHBondContact CB-OE2 3.45Å; R562-E567 WeakPolarHBondContact CD-OE1 3.36Å; R562-E567 IonicContact CZ-OE1 3.82Å; R562-E567 IonicContact CZ-OE2 2.86Å; R562-E567 IonicContact NE-OE1 3.12Å; R562-E567 IonicContact NE-OE2 3.99Å; R562-E567 IonicContact NH1-OE1 2.98Å; R562-E567 PolarHBondContact NH1-OE1 3.04Å; R562-E567 IonicContact NH1-OE2 3.74Å; R562-E567 PolarHBondContact NH1-OE2 3.16Å; H563-E567 VanDerWaalsContact O-CB 3.3Å; H563-E567 WeakPolarHBondContact O-CB 3.45Å; H563-E567 PolarHBondContact O-N 3.12Å; L565-E567 VanDerWaalsContact C-N 3.28Å; L565-E567 PolarHBondContact O-N 3.48Å; E567-F573 HydrophobicContact CB-CB 4.49Å; E567-F573 HydrophobicContact CB-CG 4.46Å; E567-F573 HydrophobicContact CG-CB 4.5Å
568	L	89.9	Confident	92.4	Very high	80 Å²	80	52.9 Å²	52.9	42%	0.419	28%	0.275	S	S	.	.	H	α-helix	trans	-78.9	-24.7	177.5	-59.2	175.5	0	0	0	113.2	I257 Y542 P564 L565 M566	I257-L568 HydrophobicContact CB-CD1 4.32Å; I257-L568 HydrophobicContact CD1-CD1 4.42Å; I257-L568 HydrophobicContact CG2-CD1 3.62Å; Y542-L568 HydrophobicContact CD1-CD2 4.03Å; Y542-L568 HydrophobicContact CE1-CD1 4.38Å; Y542-L568 HydrophobicContact CE1-CD2 3.64Å; P564-L568 WeakPolarHBondContact O-CG 3.47Å; L565-L568 PolarHBondContact O-N 3.29Å; L565-L568 VanDerWaalsContact O-N 3.16Å; M566-L568 PolarHBondContact O-N 3.37Å
569	C	88.5	Confident	92.2	Very high	85 Å²	85	56.5 Å²	56.5	57%	0.574	29%	0.292	S	S	*	.	H	α-helix	trans	-91.3	-28.1	-179.4	-61.7	0	0	0	0	113.2	L252 L565 M566	L252-C569 WeakPolarHBondContact CD2-SG 3.32Å; L565-C569 PolarHBondContact O-N 3.26Å; M566-C569 PolarHBondContact O-N 2.88Å; M566-C569 VanDerWaalsContact O-N 3.1Å
570	A	85.6	Confident	91.8	Very high	36 Å²	36	52.9 Å²	52.9	30%	0.298	28%	0.276	S	S	.	.	S	Bend	trans	-93.1	143.9	-176.6	0	0	0	0	0	111.3	M566 T572	M566-A570 VanDerWaalsContact O-CB 3.3Å; M566-A570 WeakPolarHBondContact O-CB 3.35Å; M566-A570 PolarHBondContact O-N 2.85Å; A570-T572 VanDerWaalsContact C-N 3.33Å
571	R	81.4	Confident	91.1	Very high	256 Å²	256	50.8 Å²	50.8	97%	0.966	27%	0.267	S	S	*	.	S	Bend	trans	-67.4	-34.9	175	-66.7	-176.5	179.6	-176.9	-0.1	112.7
572	T	86.5	Confident	90	Very high	128 Å²	128	53.3 Å²	53.3	79%	0.785	29%	0.294	S	S	*	.	S	Bend	trans	-141	126.5	178.8	50	0	0	0	0	108	A570	A570-T572 VanDerWaalsContact C-N 3.33Å
573	F	90.9	Very high	88.9	Confident	48 Å²	48	59 Å²	59	21%	0.211	33%	0.328	C	S	.	.			trans	-114.5	134.1	177.9	-172.5	-86.4	0	0	0	110	R562 H563 M566 E567 I600	R562-F573 HydrophobicContact CB-CD1 4.07Å; R562-F573 HydrophobicContact CB-CE1 4Å; R562-F573 HydrophobicContact CG-CD1 4.14Å; R562-F573 HydrophobicContact CG-CE1 4.32Å; H563-F573 HydrophobicContact CB-CE2 3.79Å; H563-F573 HydrophobicContact CB-CZ 3.64Å; H563-F573 VanDerWaalsContact N-CZ 3.34Å; M566-F573 HydrophobicContact CB-CD2 4.24Å; M566-F573 HydrophobicContact CB-CE2 3.95Å; M566-F573 HydrophobicContact CG-CD2 3.93Å; M566-F573 HydrophobicContact CG-CE2 3.81Å; E567-F573 HydrophobicContact CB-CB 4.49Å; E567-F573 HydrophobicContact CB-CG 4.46Å; E567-F573 HydrophobicContact CG-CB 4.5Å; F573-I600 HydrophobicContact CE2-CG2 4.18Å; F573-I600 HydrophobicContact CZ-CG2 4.47Å
574	V	93.1	Very high	88	Confident	52 Å²	52	63.2 Å²	63.2	32%	0.315	35%	0.346	S	S	.	.			trans	-96.2	114	179	-179.9	0	0	0	0	109.1	N576 Q743	V574-N576 PolarHBondContact O-ND2 3.19Å; V574-N576 VanDerWaalsContact O-ND2 3.17Å; V574-Q743 HydrophobicContact CG1-CB 4.48Å
575	P	95	Very high	87.5	Confident	45 Å²	45	63.2 Å²	63.2	29%	0.292	35%	0.346	S	S	.	.			trans	-70.4	142.1	-179.2	29.2	-34	0	0	0	111.4	N560 G561 R562 Q743	N560-P575 HydrophobicContact CB-CB 3.96Å; N560-P575 HydrophobicContact CB-CG 4.36Å; G561-P575 CarbonylContact O-C 3.54Å; G561-P575 VanDerWaalsContact O-CA 3.23Å; G561-P575 WeakPolarHBondContact O-CA 3.4Å; R562-P575 HydrophobicContact CG-CB 3.96Å; P575-Q743 PolarHBondContact O-OE1 2.69Å
576	N	95.6	Very high	87.2	Confident	6 Å²	6	63.8 Å²	63.8	3%	0.032	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	130.9	-179.4	-80	-83.6	0	0	0	111.2	G561 V574 Y601 Q604 Y742 Q743 V744	G561-N576 WeakPolarHBondContact CA-O 3.24Å; G561-N576 PolarHBondContact N-O 3.48Å; G561-N576 PolarHBondContact O-N 2.82Å; V574-N576 PolarHBondContact O-ND2 3.19Å; V574-N576 VanDerWaalsContact O-ND2 3.17Å; N576-Y601 HydrophobicContact CB-CD2 3.7Å; N576-Y601 HydrophobicContact CB-CE2 3.85Å; N576-Q604 PolarHBondContact O-NE2 2.87Å; N576-Q604 VanDerWaalsContact O-NE2 3.1Å; N576-Y742 PolarHBondContact ND2-O 3.41Å; N576-Q743 WeakPolarHBondContact OD1-CA 3.45Å; N576-V744 PolarHBondContact OD1-N 3.41Å
577	S	94.9	Very high	87.2	Confident	55 Å²	55	60.6 Å²	60.6	39%	0.385	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	145	172.9	-63	0	0	0	0	110.6	I558 N560	I558-S577 CarbonylContact O-C 3.57Å; I558-S577 VanDerWaalsContact O-CA 3.23Å; I558-S577 WeakPolarHBondContact O-CA 3.49Å; N560-S577 PolarHBondContact N-OG 3.42Å
578	T	92.8	Very high	87.2	Confident	1 Å²	1	58 Å²	58	1%	0.006	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	128	-179.4	-58.9	0	0	0	0	109.7	R557 I558 Y601 V605 F704	R557-T578 CarbonylContact C-O 3.51Å; R557-T578 VanDerWaalsContact CA-O 3.31Å; R557-T578 WeakPolarHBondContact CA-O 3.41Å; I558-T578 PolarHBondContact N-O 2.8Å; I558-T578 PolarHBondContact O-N 3Å; T578-Y601 WeakPolarHBondContact CB-OH 3.43Å; T578-Y601 WeakPolarHBondContact CG2-OH 3.44Å; T578-Y601 WeakPolarHBondContact OG1-CE2 3.5Å; T578-Y601 PolarHBondContact OG1-OH 3.24Å; T578-V605 HydrophobicContact CG2-CG1 4.35Å; T578-V605 HydrophobicContact CG2-CG2 3.79Å; T578-V605 WeakPolarHBondContact OG1-CG2 3.09Å; T578-F704 HydrophobicContact CG2-CE1 3.41Å; T578-F704 VanDerWaalsContact CG2-CE1 3.41Å; T578-F704 HydrophobicContact CG2-CZ 3.38Å
579	E	90.2	Very high	87.4	Confident	78 Å²	78	54.2 Å²	54.2	36%	0.364	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	120.3	170.5	-64.6	-167.6	145.6	0	0	109.3	V556 R557 K584 K588	V556-E579 CarbonylContact O-C 3.57Å; R557-E579 HydrophobicContact CG-CG 4.27Å; R557-E579 IonicContact NE-OE1 3.34Å; E579-K584 HydrophobicContact CB-CG 4.4Å; E579-K584 VanDerWaalsContact OE2-CE 3.27Å; E579-K584 WeakPolarHBondContact OE2-CE 3.45Å; E579-K588 WeakPolarHBondContact O-CE 3.19Å; E579-K588 PolarHBondContact O-NZ 3.15Å
580	C	88.2	Confident	87.6	Confident	4 Å²	4	50.1 Å²	50.1	3%	0.027	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	128.1	174.4	-178.3	0	0	0	0	109.2	G555 V556 R586 F704	G555-C580 CarbonylContact C-O 3.59Å; G555-C580 VanDerWaalsContact CA-O 3.27Å; G555-C580 WeakPolarHBondContact CA-O 3.44Å; V556-C580 PolarHBondContact N-O 3.33Å; V556-C580 PolarHBondContact O-N 3.08Å; C580-R586 PolarHBondContact SG-O 3.5Å; C580-R586 VanDerWaalsContact SG-O 3.38Å; C580-F704 HydrophobicContact CB-CE1 4.28Å; C580-F704 HydrophobicContact CB-CE2 3.85Å; C580-F704 HydrophobicContact CB-CZ 3.4Å; C580-F704 VanDerWaalsContact CB-CZ 3.4Å
581	G	80.2	Confident	87.8	Confident	11 Å²	11	48.4 Å²	48.4	11%	0.113	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	121.2	162.9	-172.8	0	0	0	0	0	113.9	L554 D583 K584 G585	L554-G581 WeakPolarHBondContact O-CA 3.36Å; G581-D583 PolarHBondContact O-N 2.85Å; G581-K584 PolarHBondContact O-N 3.26Å; G581-G585 PolarHBondContact N-O 2.93Å
582	G	74	Confident	87.9	Confident	54 Å²	54	36.4 Å²	36.4	56%	0.557	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	53.7	-128	-179.3	0	0	0	0	0	112.9	K584	G582-K584 VanDerWaalsContact C-N 3.29Å; G582-K584 PolarHBondContact O-N 3.01Å
583	D	71.7	Confident	87.7	Confident	165 Å²	165	30.7 Å²	30.7	88%	0.882	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-76.8	-14.1	-173.5	-55	-22.8	0	0	0	113.6	G581 G585	G581-D583 PolarHBondContact O-N 2.85Å; D583-G585 VanDerWaalsContact C-N 3.28Å; D583-G585 PolarHBondContact O-N 2.79Å
584	K	77.2	Confident	87.1	Confident	95 Å²	95	32.6 Å²	32.6	41%	0.413	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-86.9	0.9	-178.1	-66.6	-70.3	-171.9	169.6	0	113	E579 G581 G582 K588	E579-K584 HydrophobicContact CB-CG 4.4Å; E579-K584 VanDerWaalsContact OE2-CE 3.27Å; E579-K584 WeakPolarHBondContact OE2-CE 3.45Å; G581-K584 PolarHBondContact O-N 3.26Å; G582-K584 VanDerWaalsContact C-N 3.29Å; G582-K584 PolarHBondContact O-N 3.01Å; K584-K588 PolarHBondContact O-NZ 3.44Å
585	G	83.5	Confident	86.5	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.205	C	C	.	.			trans	80.6	162.1	-176.8	0	0	0	0	0	113.6	G581 D583 P722 L723	G581-G585 PolarHBondContact N-O 2.93Å; D583-G585 VanDerWaalsContact C-N 3.28Å; D583-G585 PolarHBondContact O-N 2.79Å; G585-P722 WeakPolarHBondContact CA-O 3.31Å; G585-P722 PolarHBondContact N-O 2.86Å; G585-L723 CarbonylContact C-O 3.59Å; G585-L723 WeakPolarHBondContact CA-O 3.46Å
586	R	88.3	Confident	85.9	Confident	18 Å²	18	32.2 Å²	32.2	7%	0.068	19%	0.192	C	C	.	.	S	Bend	trans	-106.5	-18.2	-173	-66	-177.1	172.1	-103.4	-6.4	113.2	C580 A664 P698 C700 H702 I703 L723	C580-R586 PolarHBondContact SG-O 3.5Å; C580-R586 VanDerWaalsContact SG-O 3.38Å; R586-A664 PolarHBondContact NH1-O 3.49Å; R586-P698 VanDerWaalsContact CZ-O 3.3Å; R586-P698 PolarHBondContact NE-O 3.45Å; R586-C700 WeakPolarHBondContact CD-O 3.47Å; R586-C700 PolarHBondContact NH1-O 3.3Å; R586-H702 PolarHBondContact NH1-CE1 2.88Å; R586-H702 VanDerWaalsContact NH1-CE1 3.35Å; R586-H702 PolarHBondContact NH1-NE2 3.19Å; R586-I703 PolarHBondContact O-N 2.84Å; R586-L723 HydrophobicContact CG-CD2 4.25Å; R586-L723 PolarHBondContact N-O 3.35Å
587	V	92	Very high	85.6	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	115.9	-179.2	-176.8	0	0	0	0	108.9	V589 L690 L694 I703 L723 V724 Q725	V587-V589 HydrophobicContact CG1-CG2 4.27Å; V587-L690 HydrophobicContact CG1-CD2 4.03Å; V587-L694 HydrophobicContact CB-CD2 4.24Å; V587-L694 HydrophobicContact CG2-CD2 3.59Å; V587-L694 HydrophobicContact CG2-CG 4.22Å; V587-I703 CarbonylContact C-O 3.58Å; V587-I703 WeakPolarHBondContact CA-O 3.36Å; V587-I703 HydrophobicContact CG1-CB 4.35Å; V587-I703 HydrophobicContact CG2-CB 4.24Å; V587-I703 HydrophobicContact CG2-CD1 3.94Å; V587-I703 HydrophobicContact CG2-CG1 4.28Å; V587-L723 PolarHBondContact N-O 2.95Å; V587-V724 HydrophobicContact CB-CG2 4.37Å; V587-V724 WeakPolarHBondContact O-CA 3.29Å; V587-Q725 PolarHBondContact O-N 3.01Å
588	K	92.6	Very high	85.4	Confident	1 Å²	1	30.2 Å²	30.2	0%	0.004	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	115.8	177.9	-52.6	-57.6	-178.7	161	0	109	E579 K584 I703 F704 V705 Q725 L727	E579-K588 WeakPolarHBondContact O-CE 3.19Å; E579-K588 PolarHBondContact O-NZ 3.15Å; K584-K588 PolarHBondContact O-NZ 3.44Å; K588-I703 PolarHBondContact N-O 3.46Å; K588-F704 HydrophobicContact CB-CD1 3.66Å; K588-F704 HydrophobicContact CB-CE1 4.03Å; K588-F704 HydrophobicContact CB-CG 4.34Å; K588-F704 HydrophobicContact CG-CD1 3.76Å; K588-F704 HydrophobicContact CG-CE1 3.61Å; K588-F704 HydrophobicContact CG-CZ 4.26Å; K588-V705 PolarHBondContact O-N 3.31Å; K588-Q725 WeakPolarHBondContact CA-O 3.43Å; K588-Q725 HydrophobicContact CD-CB 3.85Å; K588-L727 HydrophobicContact CB-CD1 4.16Å; K588-L727 HydrophobicContact CD-CD1 4.44Å
589	V	92.9	Very high	85.3	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	109.4	176.5	-177.9	0	0	0	0	108.2	V587 T591 V705 T707 L712 L718 V724 Q725 Y726 L727	V587-V589 HydrophobicContact CG1-CG2 4.27Å; V589-T591 HydrophobicContact CG1-CG2 4.35Å; V589-V705 CarbonylContact C-O 3.57Å; V589-V705 WeakPolarHBondContact CA-O 3.2Å; V589-T707 HydrophobicContact CG1-CG2 4.09Å; V589-L712 HydrophobicContact CG1-CD2 4.21Å; V589-L718 HydrophobicContact CG2-CD1 3.91Å; V589-V724 HydrophobicContact CG2-CG1 4.33Å; V589-Q725 PolarHBondContact N-O 3.14Å; V589-Y726 HydrophobicContact CB-CD1 3.83Å; V589-Y726 HydrophobicContact CB-CE1 4.11Å; V589-Y726 HydrophobicContact CG1-CD1 4.14Å; V589-Y726 HydrophobicContact CG1-CE1 4.32Å; V589-Y726 HydrophobicContact CG2-CD1 4.47Å; V589-Y726 HydrophobicContact CG2-CE1 4.31Å; V589-Y726 WeakPolarHBondContact O-CA 3.46Å; V589-L727 PolarHBondContact O-N 3.45Å
590	I	93	Very high	85.5	Confident	0 Å²	0	31 Å²	31	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	119.5	-176.4	-54.3	145.6	0	0	0	108.3	K598 Y601 L602 F704 V705 A706 T707 L727 M729	I590-K598 HydrophobicContact CG2-CD 4.49Å; I590-K598 HydrophobicContact CG2-CG 4.28Å; I590-Y601 HydrophobicContact CD1-CD1 3.66Å; I590-Y601 HydrophobicContact CD1-CE1 3.6Å; I590-Y601 HydrophobicContact CG1-CE1 4.35Å; I590-L602 HydrophobicContact CD1-CD2 3.77Å; I590-F704 HydrophobicContact CD1-CB 4.5Å; I590-F704 HydrophobicContact CD1-CD1 4.4Å; I590-V705 PolarHBondContact N-O 2.91Å; I590-A706 WeakPolarHBondContact O-CA 3.48Å; I590-T707 PolarHBondContact O-N 3.25Å; I590-L727 CarbonylContact C-O 3.25Å; I590-L727 WeakPolarHBondContact CA-O 3.33Å; I590-L727 HydrophobicContact CG1-CB 4.08Å; I590-L727 HydrophobicContact CG1-CD1 4.2Å; I590-M729 HydrophobicContact CG2-SD 4.48Å
591	T	89.8	Confident	85.8	Confident	0 Å²	0	31 Å²	31	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	151.1	179	59.7	0	0	0	0	110.6	V589 T707 V713 L727 T728 M729 A749	V589-T591 HydrophobicContact CG1-CG2 4.35Å; T591-T707 HydrophobicContact CG2-CG2 4.39Å; T591-V713 HydrophobicContact CG2-CG2 4.25Å; T591-L727 PolarHBondContact N-O 3.1Å; T591-L727 PolarHBondContact OG1-O 3.37Å; T591-T728 CarbonylContact O-C 3.52Å; T591-T728 WeakPolarHBondContact O-CA 3.49Å; T591-T728 WeakPolarHBondContact O-CB 3.49Å; T591-T728 PolarHBondContact O-OG1 2.85Å; T591-M729 PolarHBondContact O-N 3.47Å; T591-M729 VanDerWaalsContact O-N 3.12Å; T591-A749 PolarHBondContact OG1-N 3.09Å; T591-A749 VanDerWaalsContact OG1-N 3.08Å
592	G	84.6	Confident	86.5	Confident	3 Å²	3	30.5 Å²	30.5	3%	0.031	18%	0.183	C	C	.	.			trans	163	169	177.2	0	0	0	0	0	111.8	K598 N708	G592-K598 PolarHBondContact O-NZ 3.46Å; G592-N708 PolarHBondContact O-OD1 3.42Å; G592-N708 VanDerWaalsContact O-OD1 3.08Å
593	P	81	Confident	87.5	Confident	9 Å²	9	29.7 Å²	29.7	6%	0.058	17%	0.165	C	C	.	.			trans	-60.6	164.3	179.9	-24.9	37.5	0	0	0	113.1	S596 K598 T731 L738 F740	P593-S596 PolarHBondContact O-OG 2.97Å; P593-K598 PolarHBondContact O-NZ 3.08Å; P593-T731 HydrophobicContact CG-CG2 4.02Å; P593-L738 HydrophobicContact CB-CD2 4.32Å; P593-L738 HydrophobicContact CG-CD2 4.19Å; P593-F740 HydrophobicContact CB-CE1 3.87Å; P593-F740 HydrophobicContact CB-CZ 4.42Å; P593-F740 HydrophobicContact CG-CE1 4.22Å
594	N	79.7	Confident	88.6	Confident	87 Å²	87	21.9 Å²	21.9	47%	0.465	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	150.7	168	-72.8	-25.4	0	0	0	109.9	S596 N708	N594-S596 PolarHBondContact O-N 3.32Å; N594-S596 VanDerWaalsContact O-N 3.13Å; N594-N708 PolarHBondContact OD1-ND2 2.67Å; N594-N708 PolarHBondContact OD1-OD1 3.05Å
595	S	79.1	Confident	89.5	Confident	88 Å²	88	17.4 Å²	17.4	62%	0.615	10%	0.103	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.4	6.3	-178.6	-48.5	0	0	0	0	115.9	G597 Y742	S595-G597 VanDerWaalsContact C-N 3.27Å; S595-G597 PolarHBondContact O-N 2.94Å; S595-Y742 WeakPolarHBondContact O-CE1 3.41Å
596	S	83.4	Confident	90	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.014	10%	0.103	C	C	.	.	S	Bend	trans	-79.6	-3.2	177.8	71.3	0	0	0	0	114.5	P593 N594 M729 Y742	P593-S596 PolarHBondContact O-OG 2.97Å; N594-S596 PolarHBondContact O-N 3.32Å; N594-S596 VanDerWaalsContact O-N 3.13Å; S596-M729 WeakPolarHBondContact O-CE 3.21Å; S596-M729 WeakPolarHBondContact OG-CB 3.24Å; S596-M729 VanDerWaalsContact OG-CG 3.28Å; S596-M729 WeakPolarHBondContact OG-CG 3.43Å; S596-Y742 WeakPolarHBondContact O-CD1 3.33Å
597	G	88.2	Confident	90.5	Very high	11 Å²	11	16.5 Å²	16.5	11%	0.113	10%	0.1	C	C	.	.	S	Bend	trans	103.5	4.1	177.2	0	0	0	0	0	116.6	S595 S599 I600 Y601	S595-G597 VanDerWaalsContact C-N 3.27Å; S595-G597 PolarHBondContact O-N 2.94Å; G597-S599 PolarHBondContact O-N 2.95Å; G597-I600 WeakPolarHBondContact O-CB 3.45Å; G597-I600 PolarHBondContact O-N 3.42Å; G597-Y601 PolarHBondContact O-N 3.31Å
598	K	90.9	Very high	90.7	Very high	7 Å²	7	16.5 Å²	16.5	3%	0.03	10%	0.1	C	C	.	.	H	α-helix	trans	-50	-50.5	-179.3	-57.7	-170.4	-59.9	-84.9	0	113.5	I590 G592 P593 I600 Y601 L602 E672 A706 N708 M729	I590-K598 HydrophobicContact CG2-CD 4.49Å; I590-K598 HydrophobicContact CG2-CG 4.28Å; G592-K598 PolarHBondContact O-NZ 3.46Å; P593-K598 PolarHBondContact O-NZ 3.08Å; K598-I600 VanDerWaalsContact C-N 3.34Å; K598-I600 PolarHBondContact O-N 3.24Å; K598-Y601 WeakPolarHBondContact O-CB 3.4Å; K598-Y601 PolarHBondContact O-N 3.38Å; K598-L602 PolarHBondContact O-N 2.86Å; K598-E672 VanDerWaalsContact CE-OE1 3.3Å; K598-E672 WeakPolarHBondContact CE-OE1 3.47Å; K598-E672 IonicContact NZ-OE1 2.7Å; K598-A706 HydrophobicContact CB-CB 3.9Å; K598-A706 HydrophobicContact CD-CB 4.34Å; K598-N708 PolarHBondContact NZ-OD1 3.3Å; K598-M729 HydrophobicContact CG-CG 3.67Å
599	S	91.4	Very high	90.8	Very high	47 Å²	47	16.5 Å²	16.5	33%	0.329	10%	0.1	S	C	.	.	H	α-helix	trans	-64.9	-37.2	-179.9	-46.1	0	0	0	0	112.4	G597 L602 K603 D671	G597-S599 PolarHBondContact O-N 2.95Å; S599-L602 PolarHBondContact O-N 2.91Å; S599-K603 WeakPolarHBondContact O-CG 3.35Å; S599-K603 PolarHBondContact O-N 3.38Å; S599-D671 WeakPolarHBondContact CB-OD2 3.48Å; S599-D671 PolarHBondContact OG-OD2 3.09Å
600	I	92.9	Very high	90.9	Very high	49 Å²	49	16.5 Å²	16.5	25%	0.251	10%	0.1	S	C	.	.	H	α-helix	trans	-65.9	-43.6	177.4	-61.1	171.2	0	0	0	109.2	H563 M566 F573 G597 K598 L602 K603 Q604	H563-I600 HydrophobicContact CB-CG2 4.03Å; H563-I600 PolarHBondContact CD2-O 3.3Å; M566-I600 HydrophobicContact CB-CG2 4.39Å; M566-I600 HydrophobicContact CE-CD1 3.57Å; M566-I600 HydrophobicContact CE-CG1 4.05Å; M566-I600 HydrophobicContact CG-CD1 4.35Å; M566-I600 HydrophobicContact CG-CG2 4.33Å; M566-I600 HydrophobicContact SD-CD1 4.45Å; F573-I600 HydrophobicContact CE2-CG2 4.18Å; F573-I600 HydrophobicContact CZ-CG2 4.47Å; G597-I600 WeakPolarHBondContact O-CB 3.45Å; G597-I600 PolarHBondContact O-N 3.42Å; K598-I600 VanDerWaalsContact C-N 3.34Å; K598-I600 PolarHBondContact O-N 3.24Å; I600-L602 PolarHBondContact O-N 2.93Å; I600-K603 PolarHBondContact O-N 2.94Å; I600-Q604 VanDerWaalsContact O-CB 3.29Å; I600-Q604 WeakPolarHBondContact O-CB 3.4Å; I600-Q604 PolarHBondContact O-N 3.18Å
601	Y	94.8	Very high	91.1	Very high	5 Å²	5	16.5 Å²	16.5	2%	0.02	10%	0.1	C	C	.	.	H	α-helix	trans	-60.4	-44.2	175.4	175.2	-97.8	0	0	0	112.3	N576 T578 I590 G597 K598 K603 Q604 V605 F704 V744	N576-Y601 HydrophobicContact CB-CD2 3.7Å; N576-Y601 HydrophobicContact CB-CE2 3.85Å; T578-Y601 WeakPolarHBondContact CB-OH 3.43Å; T578-Y601 WeakPolarHBondContact CG2-OH 3.44Å; T578-Y601 WeakPolarHBondContact OG1-CE2 3.5Å; T578-Y601 PolarHBondContact OG1-OH 3.24Å; I590-Y601 HydrophobicContact CD1-CD1 3.66Å; I590-Y601 HydrophobicContact CD1-CE1 3.6Å; I590-Y601 HydrophobicContact CG1-CE1 4.35Å; G597-Y601 PolarHBondContact O-N 3.31Å; K598-Y601 WeakPolarHBondContact O-CB 3.4Å; K598-Y601 PolarHBondContact O-N 3.38Å; Y601-K603 PolarHBondContact O-N 3.17Å; Y601-Q604 WeakPolarHBondContact O-CB 3.36Å; Y601-Q604 PolarHBondContact O-N 3.05Å; Y601-V605 HydrophobicContact CE1-CG2 4.3Å; Y601-V605 HydrophobicContact CE2-CG2 4.36Å; Y601-V605 WeakPolarHBondContact O-CG2 3.32Å; Y601-V605 PolarHBondContact O-N 3.48Å; Y601-V605 VanDerWaalsContact O-N 3.12Å; Y601-F704 HydrophobicContact CE1-CD1 4.25Å; Y601-F704 HydrophobicContact CE1-CE1 4.5Å; Y601-V744 HydrophobicContact CD1-CG2 4.23Å; Y601-V744 HydrophobicContact CD2-CG2 3.62Å; Y601-V744 HydrophobicContact CE1-CG2 4.37Å; Y601-V744 HydrophobicContact CE2-CB 4.48Å; Y601-V744 HydrophobicContact CE2-CG2 3.78Å; Y601-V744 HydrophobicContact CG-CG2 3.84Å
602	L	94.9	Very high	91.4	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-59.1	-49.2	174.4	-69.4	-178.5	0	0	0	111.9	I590 K598 S599 I600 Q604 V605 G606 I635 L669 I670 D671 F704 A706	I590-L602 HydrophobicContact CD1-CD2 3.77Å; K598-L602 PolarHBondContact O-N 2.86Å; S599-L602 PolarHBondContact O-N 2.91Å; I600-L602 PolarHBondContact O-N 2.93Å; L602-Q604 VanDerWaalsContact C-N 3.3Å; L602-Q604 PolarHBondContact O-N 2.7Å; L602-V605 PolarHBondContact O-N 3.32Å; L602-G606 PolarHBondContact O-N 2.87Å; L602-G606 VanDerWaalsContact O-N 3.09Å; L602-I635 HydrophobicContact CB-CD1 4.37Å; L602-L669 WeakPolarHBondContact O-CD1 3.15Å; L602-I670 WeakPolarHBondContact CD1-O 3.48Å; L602-D671 HydrophobicContact CD1-CB 3.78Å; L602-F704 HydrophobicContact CD2-CB 3.39Å; L602-F704 HydrophobicContact CD2-CG 4.44Å; L602-A706 HydrophobicContact CD1-CB 3.56Å; L602-A706 HydrophobicContact CG-CB 4.2Å
603	K	95	Very high	91.8	Very high	37 Å²	37	16.5 Å²	16.5	16%	0.161	10%	0.099	C	C	.	.	H	α-helix	trans	-62.2	-38	178.3	-70.9	-173.5	-178.3	-155.4	0	112.1	V229 L230 S599 I600 Y601 G606 L607 I635	V229-K603 VanDerWaalsContact O-CE 3.25Å; V229-K603 WeakPolarHBondContact O-CE 3.23Å; V229-K603 PolarHBondContact O-NZ 2.86Å; L230-K603 HydrophobicContact CD2-CB 4.25Å; L230-K603 HydrophobicContact CD2-CG 4.14Å; S599-K603 WeakPolarHBondContact O-CG 3.35Å; S599-K603 PolarHBondContact O-N 3.38Å; I600-K603 PolarHBondContact O-N 2.94Å; Y601-K603 PolarHBondContact O-N 3.17Å; K603-G606 PolarHBondContact O-N 3.43Å; K603-L607 WeakPolarHBondContact O-CB 3.46Å; K603-L607 VanDerWaalsContact O-CG 3.32Å; K603-L607 WeakPolarHBondContact O-CG 3.38Å; K603-L607 PolarHBondContact O-N 3.31Å; K603-I635 HydrophobicContact CG-CD1 3.97Å
604	Q	95.9	Very high	92.4	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-57.3	-51.1	176.1	176.2	-174.4	-51.7	0	0	111	G561 H563 N576 I600 Y601 L602 G606 L607 I608	G561-Q604 PolarHBondContact O-NE2 3Å; G561-Q604 PolarHBondContact O-OE1 3.37Å; H563-Q604 HydrophobicContact CB-CB 4.06Å; H563-Q604 HydrophobicContact CB-CG 4.35Å; N576-Q604 PolarHBondContact O-NE2 2.87Å; N576-Q604 VanDerWaalsContact O-NE2 3.1Å; I600-Q604 VanDerWaalsContact O-CB 3.29Å; I600-Q604 WeakPolarHBondContact O-CB 3.4Å; I600-Q604 PolarHBondContact O-N 3.18Å; Y601-Q604 WeakPolarHBondContact O-CB 3.36Å; Y601-Q604 PolarHBondContact O-N 3.05Å; L602-Q604 VanDerWaalsContact C-N 3.3Å; L602-Q604 PolarHBondContact O-N 2.7Å; Q604-G606 VanDerWaalsContact C-N 3.31Å; Q604-G606 PolarHBondContact O-N 2.7Å; Q604-L607 PolarHBondContact O-N 3.01Å; Q604-I608 HydrophobicContact CG-CD1 3.73Å; Q604-I608 WeakPolarHBondContact O-CB 3.49Å; Q604-I608 WeakPolarHBondContact O-CG1 3.28Å; Q604-I608 PolarHBondContact O-N 3.44Å
605	V	95.6	Very high	93.1	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-60.4	-44.1	178.4	177.1	0	0	0	0	110.7	V556 I558 T578 Y601 L602 T609 F704	V556-V605 HydrophobicContact CG1-CG1 4.38Å; I558-V605 HydrophobicContact CD1-CG1 4.5Å; T578-V605 HydrophobicContact CG2-CG1 4.35Å; T578-V605 HydrophobicContact CG2-CG2 3.79Å; T578-V605 WeakPolarHBondContact OG1-CG2 3.09Å; Y601-V605 HydrophobicContact CE1-CG2 4.3Å; Y601-V605 HydrophobicContact CE2-CG2 4.36Å; Y601-V605 WeakPolarHBondContact O-CG2 3.32Å; Y601-V605 PolarHBondContact O-N 3.48Å; Y601-V605 VanDerWaalsContact O-N 3.12Å; L602-V605 PolarHBondContact O-N 3.32Å; V605-T609 WeakPolarHBondContact O-CB 3.36Å; V605-T609 PolarHBondContact O-N 3.08Å; V605-T609 VanDerWaalsContact O-N 3.07Å; V605-T609 PolarHBondContact O-OG1 2.91Å; V605-F704 HydrophobicContact CG1-CD2 4.32Å; V605-F704 HydrophobicContact CG1-CE2 3.86Å; V605-F704 HydrophobicContact CG1-CZ 3.99Å
606	G	95.1	Very high	93.9	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-60.7	-47.2	176.7	0	0	0	0	0	113.2	L602 K603 Q604 T609 F610	L602-G606 PolarHBondContact O-N 2.87Å; L602-G606 VanDerWaalsContact O-N 3.09Å; K603-G606 PolarHBondContact O-N 3.43Å; Q604-G606 VanDerWaalsContact C-N 3.31Å; Q604-G606 PolarHBondContact O-N 2.7Å; G606-T609 PolarHBondContact O-N 2.96Å; G606-F610 VanDerWaalsContact O-CB 3.29Å; G606-F610 WeakPolarHBondContact O-CB 3.22Å; G606-F610 PolarHBondContact O-N 3.17Å
607	L	97	Very high	94.6	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-68.8	-42.7	-178.5	-75.5	169.1	0	0	0	112.6	L230 I232 L254 H563 P564 K603 Q604 T609 F610 M611	L230-L607 HydrophobicContact CB-CD2 4.05Å; L230-L607 HydrophobicContact CB-CG 4.39Å; L230-L607 WeakPolarHBondContact O-CD2 3.27Å; I232-L607 HydrophobicContact CG1-CD2 4.14Å; L254-L607 HydrophobicContact CB-CD2 4.26Å; L254-L607 HydrophobicContact CD2-CD2 3.8Å; L254-L607 HydrophobicContact CG-CD2 4.44Å; H563-L607 WeakPolarHBondContact CE1-CD1 3.34Å; P564-L607 HydrophobicContact CG-CB 4.2Å; P564-L607 HydrophobicContact CG-CD1 4.05Å; K603-L607 WeakPolarHBondContact O-CB 3.46Å; K603-L607 VanDerWaalsContact O-CG 3.32Å; K603-L607 WeakPolarHBondContact O-CG 3.38Å; K603-L607 PolarHBondContact O-N 3.31Å; Q604-L607 PolarHBondContact O-N 3.01Å; L607-T609 VanDerWaalsContact C-N 3.34Å; L607-T609 PolarHBondContact O-N 2.77Å; L607-F610 PolarHBondContact O-N 3.35Å; L607-M611 WeakPolarHBondContact O-CB 3.48Å; L607-M611 VanDerWaalsContact O-CG 3.26Å; L607-M611 WeakPolarHBondContact O-CG 3.31Å; L607-M611 PolarHBondContact O-N 2.88Å
608	I	96.9	Very high	95.1	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-61.6	-45.8	176.1	-71.4	170.9	0	0	0	110.3	I558 Q604 F610 M611 A612 V618 P619	I558-I608 HydrophobicContact CD1-CB 3.9Å; I558-I608 HydrophobicContact CD1-CD1 4.1Å; I558-I608 HydrophobicContact CD1-CG2 3.55Å; I558-I608 HydrophobicContact CG1-CG2 3.89Å; I558-I608 HydrophobicContact CG2-CD1 3.83Å; I558-I608 HydrophobicContact CG2-CG2 4.44Å; Q604-I608 HydrophobicContact CG-CD1 3.73Å; Q604-I608 WeakPolarHBondContact O-CB 3.49Å; Q604-I608 WeakPolarHBondContact O-CG1 3.28Å; Q604-I608 PolarHBondContact O-N 3.44Å; I608-F610 PolarHBondContact O-N 2.91Å; I608-M611 PolarHBondContact O-N 3.11Å; I608-A612 PolarHBondContact O-N 3.35Å; I608-V618 HydrophobicContact CG2-CB 4.08Å; I608-V618 HydrophobicContact CG2-CG1 4.34Å; I608-V618 HydrophobicContact CG2-CG2 4.31Å; I608-P619 HydrophobicContact CD1-CG 4.32Å; I608-P619 HydrophobicContact CG1-CG 3.75Å
609	T	95	Very high	95.4	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-61.8	-45.3	177.2	-53.7	0	0	0	0	110.7	V556 V605 G606 L607 A612 L613 I625 V628 I631 L667	V556-T609 HydrophobicContact CG2-CG2 4.34Å; V605-T609 WeakPolarHBondContact O-CB 3.36Å; V605-T609 PolarHBondContact O-N 3.08Å; V605-T609 VanDerWaalsContact O-N 3.07Å; V605-T609 PolarHBondContact O-OG1 2.91Å; G606-T609 PolarHBondContact O-N 2.96Å; L607-T609 VanDerWaalsContact C-N 3.34Å; L607-T609 PolarHBondContact O-N 2.77Å; T609-A612 PolarHBondContact O-N 2.71Å; T609-L613 HydrophobicContact CG2-CD1 3.9Å; T609-L613 WeakPolarHBondContact O-CD1 3.49Å; T609-L613 VanDerWaalsContact O-CG 3.28Å; T609-L613 WeakPolarHBondContact O-CG 3.47Å; T609-L613 PolarHBondContact O-N 2.73Å; T609-I625 HydrophobicContact CG2-CG2 4.13Å; T609-V628 HydrophobicContact CG2-CB 4.48Å; T609-V628 HydrophobicContact CG2-CG1 4.47Å; T609-V628 HydrophobicContact CG2-CG2 4.08Å; T609-I631 HydrophobicContact CG2-CD1 4.42Å; T609-L667 HydrophobicContact CG2-CD2 4.01Å
610	F	95.8	Very high	95.6	Very high	0 Å²	0	5 Å²	5	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-60.6	-48.6	177	175.4	-94.3	0	0	0	112.5	I222 Y227 I232 L254 F274 P277 G606 L607 I608 A612 L613 V614 I631	I222-F610 HydrophobicContact CD1-CD2 3.49Å; I222-F610 VanDerWaalsContact CD1-CD2 3.49Å; I222-F610 HydrophobicContact CD1-CE2 3.74Å; Y227-F610 AromaticContact CE1-CE2 3.86Å; Y227-F610 HydrophobicContact CE1-CE2 3.86Å; Y227-F610 HydrophobicContact CE1-CZ 4.17Å; I232-F610 HydrophobicContact CD1-CD1 3.96Å; I232-F610 HydrophobicContact CD1-CD2 3.66Å; I232-F610 HydrophobicContact CD1-CE1 3.98Å; I232-F610 HydrophobicContact CD1-CE2 3.67Å; I232-F610 HydrophobicContact CD1-CG 3.8Å; I232-F610 HydrophobicContact CD1-CZ 3.82Å; I232-F610 HydrophobicContact CG1-CD1 4.18Å; I232-F610 HydrophobicContact CG1-CE1 4.1Å; I232-F610 HydrophobicContact CG1-CG 4.48Å; I232-F610 HydrophobicContact CG1-CZ 4.32Å; I232-F610 HydrophobicContact CG2-CE1 3.72Å; I232-F610 HydrophobicContact CG2-CE2 4.48Å; I232-F610 HydrophobicContact CG2-CZ 3.64Å; L254-F610 HydrophobicContact CD2-CD1 3.43Å; L254-F610 VanDerWaalsContact CD2-CD1 3.43Å; L254-F610 HydrophobicContact CD2-CE1 3.63Å; F274-F610 HydrophobicContact CB-CZ 4.05Å; F274-F610 AromaticContact CD1-CE1 3.86Å; F274-F610 HydrophobicContact CD1-CE1 3.86Å; F274-F610 HydrophobicContact CD1-CZ 4.11Å; F274-F610 HydrophobicContact CE1-CE1 4.2Å; F274-F610 HydrophobicContact CG-CE1 4.15Å; F274-F610 HydrophobicContact CG-CZ 4.09Å; F274-F610 WeakPolarHBondContact O-CE2 3.4Å; F274-F610 VanDerWaalsContact O-CZ 3.27Å; F274-F610 WeakPolarHBondContact O-CZ 3.36Å; P277-F610 HydrophobicContact CB-CE2 4.36Å; P277-F610 HydrophobicContact CG-CD2 4.45Å; P277-F610 HydrophobicContact CG-CE2 4.01Å; G606-F610 VanDerWaalsContact O-CB 3.29Å; G606-F610 WeakPolarHBondContact O-CB 3.22Å; G606-F610 PolarHBondContact O-N 3.17Å; L607-F610 PolarHBondContact O-N 3.35Å; I608-F610 PolarHBondContact O-N 2.91Å; F610-A612 VanDerWaalsContact C-N 3.27Å; F610-A612 PolarHBondContact O-N 3.48Å; F610-L613 CarbonylContact O-C 3.5Å; F610-L613 PolarHBondContact O-N 3.42Å; F610-V614 HydrophobicContact CD1-CG2 4.19Å; F610-V614 HydrophobicContact CE1-CG2 3.7Å; F610-V614 HydrophobicContact CE2-CG2 4.27Å; F610-V614 HydrophobicContact CZ-CG2 3.75Å; F610-V614 WeakPolarHBondContact O-CG2 3.35Å; F610-V614 PolarHBondContact O-N 2.88Å; F610-I631 HydrophobicContact CB-CD1 4.28Å
611	M	96.9	Very high	95.8	Very high	1 Å²	1	8 Å²	8	1%	0.005	4%	0.037	C	C	.	.	H	α-helix	trans	-58.3	-39.7	177.9	-73.9	175.6	77.3	0	0	111.9	L254 L258 Y544 P564 L607 I608 V614 G615 S616 F617 V618 P619	L254-M611 HydrophobicContact CD1-CE 4.41Å; L254-M611 HydrophobicContact CD1-CG 3.98Å; L254-M611 HydrophobicContact CD1-SD 3.77Å; L254-M611 HydrophobicContact CD2-CG 3.74Å; L254-M611 HydrophobicContact CG-CG 4.42Å; L258-M611 HydrophobicContact CD1-CE 3.92Å; L258-M611 HydrophobicContact CD1-CG 4.46Å; L258-M611 HydrophobicContact CD2-CE 4.26Å; Y544-M611 HydrophobicContact CD2-CE 3.81Å; Y544-M611 HydrophobicContact CE2-CE 3.42Å; Y544-M611 VanDerWaalsContact CE2-CE 3.42Å; P564-M611 HydrophobicContact CG-SD 4.21Å; L607-M611 WeakPolarHBondContact O-CB 3.48Å; L607-M611 VanDerWaalsContact O-CG 3.26Å; L607-M611 WeakPolarHBondContact O-CG 3.31Å; L607-M611 PolarHBondContact O-N 2.88Å; I608-M611 PolarHBondContact O-N 3.11Å; M611-V614 PolarHBondContact O-N 3.23Å; M611-G615 PolarHBondContact O-N 2.71Å; M611-S616 WeakPolarHBondContact O-CB 3.43Å; M611-S616 PolarHBondContact O-N 3.07Å; M611-F617 WeakPolarHBondContact CE-O 3.33Å; M611-V618 HydrophobicContact CB-CG1 3.87Å; M611-P619 WeakPolarHBondContact SD-CD 3.4Å; M611-P619 HydrophobicContact SD-CG 4.14Å
612	A	95.3	Very high	95.8	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-64.3	-38.1	174.1	0	0	0	0	0	112.3	P547 Y549 I608 T609 F610 V614 G615 V618 I625	P547-A612 HydrophobicContact CB-CB 4.06Å; P547-A612 HydrophobicContact CG-CB 4.15Å; Y549-A612 HydrophobicContact CE1-CB 4.25Å; Y549-A612 PolarHBondContact OH-O 3.32Å; I608-A612 PolarHBondContact O-N 3.35Å; T609-A612 PolarHBondContact O-N 2.71Å; F610-A612 VanDerWaalsContact C-N 3.27Å; F610-A612 PolarHBondContact O-N 3.48Å; A612-V614 VanDerWaalsContact C-N 3.29Å; A612-V614 PolarHBondContact O-N 2.98Å; A612-G615 PolarHBondContact O-N 3.01Å; A612-G615 VanDerWaalsContact O-N 3.08Å; A612-V618 HydrophobicContact CB-CG1 4.01Å; A612-I625 HydrophobicContact CB-CB 4.33Å; A612-I625 HydrophobicContact CB-CG1 3.68Å; A612-I625 HydrophobicContact CB-CG2 4.47Å
613	L	93.8	Very high	95.7	Very high	3 Å²	3	12.2 Å²	12.2	2%	0.016	6%	0.058	C	C	.	.	H	α-helix	trans	-77.3	-12.9	178.4	-63.4	161.6	0	0	0	113.6	V220 P277 T278 L284 T609 F610 G615 V628 I631	V220-L613 HydrophobicContact CG1-CD1 4.18Å; V220-L613 HydrophobicContact CG2-CB 4.38Å; V220-L613 HydrophobicContact CG2-CD1 4.12Å; V220-L613 HydrophobicContact CG2-CD2 4.03Å; V220-L613 HydrophobicContact CG2-CG 4.39Å; P277-L613 HydrophobicContact CB-CB 4.03Å; T278-L613 PolarHBondContact N-O 3.49Å; T278-L613 VanDerWaalsContact O-O 3.06Å; L284-L613 WeakPolarHBondContact CD2-O 3.45Å; T609-L613 HydrophobicContact CG2-CD1 3.9Å; T609-L613 WeakPolarHBondContact O-CD1 3.49Å; T609-L613 VanDerWaalsContact O-CG 3.28Å; T609-L613 WeakPolarHBondContact O-CG 3.47Å; T609-L613 PolarHBondContact O-N 2.73Å; F610-L613 CarbonylContact O-C 3.5Å; F610-L613 PolarHBondContact O-N 3.42Å; L613-G615 VanDerWaalsContact C-N 3.34Å; L613-V628 HydrophobicContact CD1-CB 4.12Å; L613-V628 HydrophobicContact CD1-CG1 4.22Å; L613-V628 HydrophobicContact CD2-CB 4.48Å; L613-I631 HydrophobicContact CD1-CD1 4.17Å
614	V	93.9	Very high	95.6	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-80.5	-20.7	166.2	171.4	0	0	0	0	111.1	W273 F274 R287 F610 M611 A612	W273-V614 HydrophobicContact CB-CG1 4.29Å; F274-V614 HydrophobicContact CD2-CG1 3.78Å; F274-V614 HydrophobicContact CD2-CG2 4.04Å; F274-V614 HydrophobicContact CE2-CG1 3.66Å; F274-V614 HydrophobicContact CE2-CG2 4.36Å; R287-V614 PolarHBondContact NH1-O 2.8Å; F610-V614 HydrophobicContact CD1-CG2 4.19Å; F610-V614 HydrophobicContact CE1-CG2 3.7Å; F610-V614 HydrophobicContact CE2-CG2 4.27Å; F610-V614 HydrophobicContact CZ-CG2 3.75Å; F610-V614 WeakPolarHBondContact O-CG2 3.35Å; F610-V614 PolarHBondContact O-N 2.88Å; M611-V614 PolarHBondContact O-N 3.23Å; A612-V614 VanDerWaalsContact C-N 3.29Å; A612-V614 PolarHBondContact O-N 2.98Å
615	G	94.1	Very high	95.4	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.1	25.4	-172.3	0	0	0	0	0	112.8	L288 I291 M611 A612 L613	L288-G615 WeakPolarHBondContact CD2-O 3.41Å; I291-G615 VanDerWaalsContact CD1-O 3.31Å; I291-G615 WeakPolarHBondContact CD1-O 3.33Å; M611-G615 PolarHBondContact O-N 2.71Å; A612-G615 PolarHBondContact O-N 3.01Å; A612-G615 VanDerWaalsContact O-N 3.08Å; L613-G615 VanDerWaalsContact C-N 3.34Å
616	S	96.3	Very high	95	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.007	6%	0.061	C	C	.	.			trans	-91.8	159.1	172.2	-179.1	0	0	0	0	111	M611	M611-S616 WeakPolarHBondContact O-CB 3.43Å; M611-S616 PolarHBondContact O-N 3.07Å
617	F	97.8	Very high	94.4	Very high	5 Å²	5	14 Å²	14	2%	0.022	7%	0.073	C	C	.	.			trans	-68.3	154.1	161.6	-80.4	-134.6	0	0	0	109.6	L288 I291 Q292 L295 A539 S545 R546 M611	L288-F617 HydrophobicContact CB-CE2 4.34Å; L288-F617 HydrophobicContact CD2-CD2 3.6Å; L288-F617 HydrophobicContact CD2-CE2 3.71Å; I291-F617 HydrophobicContact CB-CD2 4.01Å; I291-F617 HydrophobicContact CB-CE2 3.73Å; I291-F617 HydrophobicContact CD1-CD2 4.35Å; I291-F617 HydrophobicContact CG2-CD2 3.35Å; I291-F617 HydrophobicContact CG2-CE2 3.36Å; I291-F617 HydrophobicContact CG2-CG 4.02Å; I291-F617 HydrophobicContact CG2-CZ 4.02Å; Q292-F617 HydrophobicContact CB-CZ 4.02Å; L295-F617 HydrophobicContact CD1-CD1 3.51Å; L295-F617 HydrophobicContact CD1-CE1 3.18Å; L295-F617 HydrophobicContact CD1-CE2 4.33Å; L295-F617 HydrophobicContact CD1-CG 4.23Å; L295-F617 HydrophobicContact CD1-CZ 3.64Å; A539-F617 HydrophobicContact CB-CB 3.73Å; A539-F617 HydrophobicContact CB-CD1 4.46Å; A539-F617 HydrophobicContact CB-CG 4.21Å; S545-F617 CarbonylContact O-C 3.52Å; S545-F617 WeakPolarHBondContact O-CA 3.49Å; S545-F617 WeakPolarHBondContact O-CB 3.19Å; R546-F617 HydrophobicContact CB-CD1 4.16Å; R546-F617 HydrophobicContact CB-CE1 3.57Å; R546-F617 HydrophobicContact CB-CE2 4.14Å; R546-F617 HydrophobicContact CB-CZ 3.56Å; R546-F617 HydrophobicContact CG-CE1 4.34Å; R546-F617 HydrophobicContact CG-CE2 4.05Å; R546-F617 HydrophobicContact CG-CZ 3.83Å; M611-F617 WeakPolarHBondContact CE-O 3.33Å
618	V	97.6	Very high	94.1	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.074	C	C	.	.	B	Isolated β-bridge	trans	-121.7	151.3	-168.4	-61.1	0	0	0	0	113.3	Y544 S545 P547 I608 M611 A612 A620 A623	Y544-V618 CarbonylContact C-O 3.57Å; Y544-V618 VanDerWaalsContact CA-O 3.31Å; Y544-V618 WeakPolarHBondContact CA-O 3.27Å; Y544-V618 VanDerWaalsContact CB-O 3.31Å; Y544-V618 WeakPolarHBondContact CB-O 3.11Å; S545-V618 PolarHBondContact N-O 2.92Å; S545-V618 PolarHBondContact O-N 3.24Å; P547-V618 HydrophobicContact CB-CG1 4.43Å; P547-V618 HydrophobicContact CB-CG2 4.28Å; P547-V618 HydrophobicContact CG-CG1 4.3Å; I608-V618 HydrophobicContact CG2-CB 4.08Å; I608-V618 HydrophobicContact CG2-CG1 4.34Å; I608-V618 HydrophobicContact CG2-CG2 4.31Å; M611-V618 HydrophobicContact CB-CG1 3.87Å; A612-V618 HydrophobicContact CB-CG1 4.01Å; V618-A620 VanDerWaalsContact C-N 3.25Å; V618-A620 HydrophobicContact CG2-CB 4.28Å; V618-A620 PolarHBondContact O-N 3.39Å; V618-A623 HydrophobicContact CG2-CB 3.53Å
619	P	96.8	Very high	93.7	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.083	C	C	.	.	S	Bend	trans	-75.1	74.3	177.3	30.2	-35.2	0	0	0	111	Y544 G561 R562 P564 I608 M611	Y544-P619 HydrophobicContact CD1-CB 3.78Å; Y544-P619 HydrophobicContact CE1-CB 3.48Å; Y544-P619 VanDerWaalsContact CE1-CB 3.48Å; Y544-P619 HydrophobicContact CE1-CG 4.3Å; G561-P619 CarbonylContact C-O 3.56Å; G561-P619 WeakPolarHBondContact CA-O 3.21Å; R562-P619 HydrophobicContact CB-CB 4.13Å; R562-P619 PolarHBondContact N-O 2.85Å; R562-P619 WeakPolarHBondContact O-CB 3.3Å; R562-P619 VanDerWaalsContact O-CG 3.22Å; R562-P619 WeakPolarHBondContact O-CG 3.38Å; P564-P619 HydrophobicContact CB-CG 4.15Å; P564-P619 HydrophobicContact CG-CG 4.24Å; I608-P619 HydrophobicContact CD1-CG 4.32Å; I608-P619 HydrophobicContact CG1-CG 3.75Å; M611-P619 WeakPolarHBondContact SD-CD 3.4Å; M611-P619 HydrophobicContact SD-CG 4.14Å
620	A	96.7	Very high	93.5	Very high	3 Å²	3	16 Å²	16	3%	0.025	8%	0.084	C	C	.	.	S	Bend	trans	-150.9	164.4	176.1	0	0	0	0	0	109.7	S545 I558 V618 A623	S545-A620 WeakPolarHBondContact CB-O 3.41Å; S545-A620 PolarHBondContact OG-O 3.46Å; I558-A620 HydrophobicContact CG2-CB 3.79Å; V618-A620 VanDerWaalsContact C-N 3.25Å; V618-A620 HydrophobicContact CG2-CB 4.28Å; V618-A620 PolarHBondContact O-N 3.39Å; A620-A623 HydrophobicContact CB-CB 4.26Å
621	E	96	Very high	93.3	Very high	112 Å²	112	16 Å²	16	52%	0.523	8%	0.084	S	C	.	.	S	Bend	trans	-73.1	-50.4	167.9	-176.4	178	179	0	0	110	S545 Q559 N560	S545-E621 WeakPolarHBondContact CB-O 3.29Å; S545-E621 PolarHBondContact OG-O 2.85Å; Q559-E621 HydrophobicContact CG-CB 4.48Å; Q559-E621 PolarHBondContact O-N 3.19Å; N560-E621 HydrophobicContact CB-CB 4.06Å; N560-E621 PolarHBondContact ND2-OE2 3.3Å
622	E	94.7	Very high	93.1	Very high	89 Å²	89	16.6 Å²	16.6	42%	0.416	9%	0.087	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	145.1	169.6	-60.5	-159.7	148.1	0	0	109.8	R548 Q559	R548-E622 IonicContact NH2-OE1 2.71Å; Q559-E622 HydrophobicContact CB-CB 4.17Å; Q559-E622 PolarHBondContact N-O 2.85Å
623	A	94.1	Very high	92.9	Very high	5 Å²	5	17 Å²	17	4%	0.041	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	133.7	173.7	0	0	0	0	0	110.5	P547 R548 R557 V618 A620	P547-A623 CarbonylContact C-O 3.47Å; P547-A623 WeakPolarHBondContact CA-O 3.45Å; P547-A623 HydrophobicContact CB-CB 4.39Å; R548-A623 PolarHBondContact N-O 2.7Å; R557-A623 CarbonylContact O-C 3.2Å; R557-A623 WeakPolarHBondContact O-CA 3.32Å; V618-A623 HydrophobicContact CG2-CB 3.53Å; A620-A623 HydrophobicContact CB-CB 4.26Å
624	E	92.8	Very high	92.7	Very high	41 Å²	41	17 Å²	17	19%	0.192	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	115.5	173.9	-176.9	-179.8	-165.7	0	0	108.6	R548 S550 V553 R557	R548-E624 CarbonylContact O-C 3.58Å; R548-E624 VanDerWaalsContact O-CA 3.28Å; R548-E624 WeakPolarHBondContact O-CA 3.28Å; S550-E624 VanDerWaalsContact CB-OE1 3.28Å; S550-E624 WeakPolarHBondContact CB-OE1 3.21Å; S550-E624 PolarHBondContact OG-OE1 3.33Å; V553-E624 VanDerWaalsContact CG2-OE1 3.27Å; V553-E624 WeakPolarHBondContact CG2-OE1 3.39Å; R557-E624 HydrophobicContact CB-CB 4.23Å; R557-E624 IonicContact CZ-OE2 3.35Å; R557-E624 PolarHBondContact N-O 2.85Å; R557-E624 IonicContact NH1-OE2 3.72Å; R557-E624 PolarHBondContact NH1-OE2 3.12Å; R557-E624 PolarHBondContact O-N 3.34Å
625	I	91.6	Very high	92.1	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	123.2	-173	-52.7	-60.8	0	0	0	108.8	R548 Y549 V556 T609 A612 V628	R548-I625 PolarHBondContact O-N 3.14Å; Y549-I625 WeakPolarHBondContact CA-O 3.1Å; Y549-I625 HydrophobicContact CD1-CB 4.31Å; Y549-I625 HydrophobicContact CE1-CB 4.5Å; V556-I625 HydrophobicContact CG1-CD1 3.82Å; V556-I625 HydrophobicContact CG2-CD1 4.42Å; T609-I625 HydrophobicContact CG2-CG2 4.13Å; A612-I625 HydrophobicContact CB-CB 4.33Å; A612-I625 HydrophobicContact CB-CG1 3.68Å; A612-I625 HydrophobicContact CB-CG2 4.47Å; I625-V628 HydrophobicContact CG2-CG2 4.43Å
626	G	87.6	Confident	91.1	Very high	3 Å²	3	22.7 Å²	22.7	3%	0.031	12%	0.116	C	C	.	.			trans	-72.6	177.7	173.3	0	0	0	0	0	112.4	V553 G555 V628	V553-G626 VanDerWaalsContact O-CA 3.29Å; V553-G626 WeakPolarHBondContact O-CA 3.42Å; G555-G626 WeakPolarHBondContact O-CA 3.35Å; G555-G626 PolarHBondContact O-N 3.32Å; G626-V628 VanDerWaalsContact C-N 3.26Å; G626-V628 PolarHBondContact O-N 3.38Å
627	A	82.2	Confident	89.5	Confident	31 Å²	31	23.2 Å²	23.2	26%	0.256	12%	0.119	S	C	.	.			trans	-72.8	76.3	178.5	0	0	0	0	0	111.7	Q665	A627-Q665 WeakPolarHBondContact O-CB 3.28Å; A627-Q665 VanDerWaalsContact O-CG 3.23Å; A627-Q665 WeakPolarHBondContact O-CG 3.38Å; A627-Q665 PolarHBondContact O-NE2 2.92Å
628	V	89.7	Confident	87.8	Confident	2 Å²	2	26.7 Å²	26.7	1%	0.012	14%	0.143	C	C	.	.			trans	-75.6	126.1	178.7	177.2	0	0	0	0	110.3	V220 T609 L613 I625 G626 I631 Q665 L667	V220-V628 WeakPolarHBondContact CG2-O 3.45Å; T609-V628 HydrophobicContact CG2-CB 4.48Å; T609-V628 HydrophobicContact CG2-CG1 4.47Å; T609-V628 HydrophobicContact CG2-CG2 4.08Å; L613-V628 HydrophobicContact CD1-CB 4.12Å; L613-V628 HydrophobicContact CD1-CG1 4.22Å; L613-V628 HydrophobicContact CD2-CB 4.48Å; I625-V628 HydrophobicContact CG2-CG2 4.43Å; G626-V628 VanDerWaalsContact C-N 3.26Å; G626-V628 PolarHBondContact O-N 3.38Å; V628-I631 HydrophobicContact CG1-CG1 4.25Å; V628-Q665 WeakPolarHBondContact CA-O 3.32Å; V628-L667 HydrophobicContact CG1-CB 4.14Å
629	D	88.8	Confident	86.1	Confident	35 Å²	35	33.1 Å²	33.1	19%	0.187	17%	0.173	C	C	.	.			trans	-101	-22.7	-175.9	69.7	-22.6	0	0	0	113.9	V220 N221 T663 Q665 S666	V220-D629 CarbonylContact C-O 3.52Å; V220-D629 VanDerWaalsContact CA-O 3.3Å; V220-D629 WeakPolarHBondContact CA-O 3.39Å; N221-D629 PolarHBondContact N-O 3.17Å; D629-T663 PolarHBondContact OD1-OG1 2.9Å; D629-T663 VanDerWaalsContact OD1-OG1 3.07Å; D629-T663 VanDerWaalsContact OD2-CB 3.3Å; D629-T663 WeakPolarHBondContact OD2-CB 3.36Å; D629-T663 WeakPolarHBondContact OD2-CG2 3.42Å; D629-T663 PolarHBondContact OD2-OG1 3.36Å; D629-Q665 HydrophobicContact CB-CB 4.37Å; D629-Q665 VanDerWaalsContact OD1-C 3.29Å; D629-S666 WeakPolarHBondContact OD1-CA 3.28Å; D629-S666 WeakPolarHBondContact OD1-CB 3.46Å; D629-S666 PolarHBondContact OD1-N 3.37Å; D629-S666 PolarHBondContact OD1-OG 2.83Å
630	A	90.2	Very high	84.3	Confident	4 Å²	4	35.9 Å²	35.9	3%	0.033	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	148.2	179.1	0	0	0	0	0	111.7	N221 F632 S666 L667	N221-A630 HydrophobicContact CB-CB 3.84Å; N221-A630 CarbonylContact O-C 3.49Å; N221-A630 WeakPolarHBondContact O-CA 3.36Å; A630-F632 HydrophobicContact CB-CD2 4.16Å; A630-F632 HydrophobicContact CB-CE2 3.47Å; A630-F632 VanDerWaalsContact CB-CE2 3.47Å; A630-F632 HydrophobicContact CB-CZ 3.86Å; A630-S666 CarbonylContact O-C 3.58Å; A630-S666 WeakPolarHBondContact O-CA 3.49Å; A630-L667 PolarHBondContact O-N 3.27Å
631	I	93.2	Very high	82.5	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	114.5	170.8	-54.8	179.4	0	0	0	107.9	V220 N221 I222 T226 T609 F610 L613 V628 T633 L667	V220-I631 HydrophobicContact CG1-CG1 4.46Å; N221-I631 PolarHBondContact O-N 3.08Å; I222-I631 HydrophobicContact CD1-CB 4.47Å; I222-I631 HydrophobicContact CD1-CD1 4.03Å; I222-I631 HydrophobicContact CD1-CG1 4.41Å; I222-I631 HydrophobicContact CG1-CB 4.26Å; T226-I631 HydrophobicContact CG2-CG2 4.04Å; T609-I631 HydrophobicContact CG2-CD1 4.42Å; F610-I631 HydrophobicContact CB-CD1 4.28Å; L613-I631 HydrophobicContact CD1-CD1 4.17Å; V628-I631 HydrophobicContact CG1-CG1 4.25Å; I631-T633 HydrophobicContact CG2-CG2 4.14Å; I631-L667 CarbonylContact C-O 3.48Å; I631-L667 WeakPolarHBondContact CA-O 3.42Å; I631-L667 HydrophobicContact CG1-CB 4.42Å; I631-L667 HydrophobicContact CG2-CD2 4.42Å
632	F	92.6	Very high	80.5	Confident	14 Å²	14	41.4 Å²	41.4	6%	0.061	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	132.9	174.9	-62.5	-77.8	0	0	0	109.7	A630 A658 N661 A662 L667 V668 L669	A630-F632 HydrophobicContact CB-CD2 4.16Å; A630-F632 HydrophobicContact CB-CE2 3.47Å; A630-F632 VanDerWaalsContact CB-CE2 3.47Å; A630-F632 HydrophobicContact CB-CZ 3.86Å; F632-A658 HydrophobicContact CB-CB 3.77Å; F632-A658 HydrophobicContact CD1-CB 4.2Å; F632-A658 HydrophobicContact CD2-CB 4.44Å; F632-A658 HydrophobicContact CG-CB 3.89Å; F632-N661 HydrophobicContact CE1-CB 4.35Å; F632-N661 HydrophobicContact CZ-CB 3.86Å; F632-A662 HydrophobicContact CD2-CB 4.14Å; F632-A662 HydrophobicContact CE2-CB 3.95Å; F632-L667 PolarHBondContact N-O 3.35Å; F632-V668 HydrophobicContact CB-CG1 4.48Å; F632-V668 HydrophobicContact CB-CG2 4.31Å; F632-V668 HydrophobicContact CD2-CG2 4.2Å; F632-V668 CarbonylContact O-C 3.57Å; F632-V668 WeakPolarHBondContact O-CA 3.43Å; F632-L669 PolarHBondContact O-N 3.45Å
633	T	91	Very high	78.9	Confident	8 Å²	8	39.8 Å²	39.8	5%	0.049	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	144.3	177.2	69.3	0	0	0	0	112.5	T226 L230 I631 L669	T226-T633 VanDerWaalsContact CA-OG1 3.29Å; T226-T633 WeakPolarHBondContact CA-OG1 3.29Å; T226-T633 WeakPolarHBondContact CB-OG1 3.48Å; T226-T633 HydrophobicContact CG2-CG2 3.5Å; T226-T633 VanDerWaalsContact CG2-CG2 3.5Å; T226-T633 PolarHBondContact OG1-N 3.06Å; T226-T633 PolarHBondContact OG1-OG1 3.21Å; L230-T633 HydrophobicContact CD1-CG2 4.45Å; L230-T633 HydrophobicContact CG-CG2 4.43Å; I631-T633 HydrophobicContact CG2-CG2 4.14Å; T633-L669 CarbonylContact C-O 3.59Å; T633-L669 WeakPolarHBondContact CA-O 3.28Å; T633-L669 HydrophobicContact CG2-CB 4.15Å; T633-L669 HydrophobicContact CG2-CD1 4.04Å; T633-L669 HydrophobicContact CG2-CG 4.38Å
634	R	89.4	Confident	77.5	Confident	3 Å²	3	42.9 Å²	42.9	1%	0.011	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	85.4	164.2	166.8	52.3	-164.2	100.4	-16.8	106.4	D651 Q654 V655 L669 I670 D671	R634-D651 VanDerWaalsContact CZ-CG 3.44Å; R634-D651 IonicContact CZ-OD1 3.62Å; R634-D651 IonicContact CZ-OD2 2.92Å; R634-D651 IonicContact NE-OD1 3.74Å; R634-D651 PolarHBondContact NE-OD1 2.79Å; R634-D651 IonicContact NE-OD2 2.74Å; R634-D651 PolarHBondContact NE-OD2 2.85Å; R634-D651 IonicContact NH2-OD1 3.74Å; R634-D651 PolarHBondContact NH2-OD1 3.07Å; R634-D651 IonicContact NH2-OD2 3.54Å; R634-D651 PolarHBondContact NH2-OD2 2.97Å; R634-Q654 HydrophobicContact CB-CB 4.42Å; R634-V655 HydrophobicContact CB-CG2 4.3Å; R634-V655 HydrophobicContact CG-CG2 4.12Å; R634-L669 PolarHBondContact N-O 2.98Å; R634-I670 HydrophobicContact CB-CG1 4.5Å; R634-I670 HydrophobicContact CG-CG2 4.45Å; R634-I670 CarbonylContact O-C 3.57Å; R634-I670 WeakPolarHBondContact O-CA 3.36Å; R634-D671 PolarHBondContact O-N 2.85Å
635	I	81.6	Confident	76.7	Confident	7 Å²	7	44.8 Å²	44.8	4%	0.036	27%	0.265	C	S	.	.	S	Bend	trans	-117.7	-53.9	-178.4	-56.8	169.8	0	0	0	111.6	V229 L230 L602 K603 L669 D671	V229-I635 HydrophobicContact CG1-CB 3.49Å; V229-I635 VanDerWaalsContact CG1-CB 3.49Å; V229-I635 HydrophobicContact CG1-CD1 3.75Å; V229-I635 HydrophobicContact CG1-CG1 3.96Å; V229-I635 HydrophobicContact CG1-CG2 4.2Å; L230-I635 HydrophobicContact CD2-CD1 4.33Å; L602-I635 HydrophobicContact CB-CD1 4.37Å; K603-I635 HydrophobicContact CG-CD1 3.97Å; I635-L669 HydrophobicContact CD1-CB 4.27Å; I635-D671 HydrophobicContact CB-CB 4.05Å; I635-D671 HydrophobicContact CG1-CB 4.13Å; I635-D671 HydrophobicContact CG2-CB 3.89Å
636	H	71.8	Confident	76.1	Confident	113 Å²	113	48.1 Å²	48.1	52%	0.523	29%	0.289	S	S	.	.			trans	-126.8	133.4	175.5	-164.3	76.9	0	0	0	110.4	V229	V229-H636 HydrophobicContact CG2-CB 4.46Å
637	S	64.3	Low	75.7	Confident	12 Å²	12	49.1 Å²	49.1	8%	0.084	29%	0.294	C	S	.	.			trans	-92.3	104.1	171.4	45.8	0	0	0	0	107.5	E639 T647	S637-E639 PolarHBondContact O-N 3.35Å; S637-E639 VanDerWaalsContact O-N 3.09Å; S637-T647 WeakPolarHBondContact OG-CG2 3.19Å
638	C	60.6	Low	75.8	Confident	77 Å²	77	49.6 Å²	49.6	52%	0.52	29%	0.29	S	S	.	.			trans	-71.5	101.7	167.8	-70.5	0	0	0	0	108
639	E	62.3	Low	75.5	Confident	136 Å²	136	53.3 Å²	53.3	64%	0.636	31%	0.309	S	S	*	.			trans	-67.8	138	167.8	-67.1	-172.8	158.9	0	0	109.2	S637 T647	S637-E639 PolarHBondContact O-N 3.35Å; S637-E639 VanDerWaalsContact O-N 3.09Å; E639-T647 VanDerWaalsContact CD-OG1 3.27Å; E639-T647 WeakPolarHBondContact CG-OG1 3.31Å; E639-T647 WeakPolarHBondContact OE1-CB 3.48Å; E639-T647 PolarHBondContact OE1-OG1 3.12Å
640	S	59.3	Low	75.1	Confident	57 Å²	57	52.6 Å²	52.6	40%	0.399	31%	0.305	S	S	.	.			trans	-137.1	137.5	164.1	174.9	0	0	0	0	107.5	S642 L643	S640-S642 PolarHBondContact O-N 3.18Å; S640-S642 VanDerWaalsContact O-N 3.1Å; S640-S642 WeakPolarHBondContact OG-CB 3.2Å; S640-S642 PolarHBondContact OG-N 2.9Å; S640-S642 PolarHBondContact OG-OG 3.35Å; S640-L643 PolarHBondContact O-N 2.86Å
641	I	58.5	Low	74.8	Confident	176 Å²	176	52.4 Å²	52.4	90%	0.903	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-52.3	-32.3	172.4	-63.9	169.7	0	0	0	109.8	L643 G644	I641-L643 PolarHBondContact O-N 2.71Å; I641-G644 PolarHBondContact O-N 3.35Å
642	S	54.1	Low	74.5	Confident	55 Å²	55	54.8 Å²	54.8	39%	0.385	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-60.2	-41.7	176.2	-46.5	0	0	0	0	112.2	H122 S640 G644	H122-S642 WeakPolarHBondContact CB-O 3.47Å; H122-S642 PolarHBondContact CD2-O 3.48Å; S640-S642 PolarHBondContact O-N 3.18Å; S640-S642 VanDerWaalsContact O-N 3.1Å; S640-S642 WeakPolarHBondContact OG-CB 3.2Å; S640-S642 PolarHBondContact OG-N 2.9Å; S640-S642 PolarHBondContact OG-OG 3.35Å; S642-G644 VanDerWaalsContact C-N 3.27Å; S642-G644 PolarHBondContact O-N 3.39Å
643	L	60.5	Low	74.2	Confident	55 Å²	55	57.7 Å²	57.7	29%	0.288	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-68.5	-25.6	-173	-70.8	170	0	0	0	113.3	R123 S640 I641 L645 I650	R123-L643 HydrophobicContact CG-CD2 4.12Å; S640-L643 PolarHBondContact O-N 2.86Å; I641-L643 PolarHBondContact O-N 2.71Å; L643-L645 PolarHBondContact O-N 2.89Å; L643-I650 HydrophobicContact CD1-CD1 4.22Å
644	G	66.5	Low	73.9	Confident	71 Å²	71	58 Å²	58	73%	0.732	33%	0.332	S	S	*	.			trans	62.6	10.8	-179.2	0	0	0	0	0	115	I641 S642	I641-G644 PolarHBondContact O-N 3.35Å; S642-G644 VanDerWaalsContact C-N 3.27Å; S642-G644 PolarHBondContact O-N 3.39Å
645	L	74.8	Confident	74	Confident	80 Å²	80	58.1 Å²	58.1	42%	0.419	33%	0.334	S	S	.	.			trans	-108.2	142.6	-179.1	-62.8	180	0	0	0	110.4	L643 M649 I650	L643-L645 PolarHBondContact O-N 2.89Å; L645-M649 HydrophobicContact CB-CB 4.38Å; L645-M649 HydrophobicContact CD1-CG 4.49Å; L645-M649 HydrophobicContact CD2-CG 3.96Å; L645-I650 HydrophobicContact CB-CD1 4.36Å; L645-I650 HydrophobicContact CB-CG1 3.84Å; L645-I650 HydrophobicContact CD1-CG1 4.39Å
646	S	79.7	Confident	74.3	Confident	70 Å²	70	59.7 Å²	59.7	49%	0.49	35%	0.348	S	S	.	.			trans	-68.6	153.1	170.6	65.5	0	0	0	0	111	F648 M649 I650	S646-F648 PolarHBondContact O-N 3.43Å; S646-F648 VanDerWaalsContact O-N 3.16Å; S646-M649 PolarHBondContact O-N 3.24Å; S646-M649 PolarHBondContact OG-N 3.42Å; S646-I650 PolarHBondContact O-N 3.39Å
647	T	78.4	Confident	74.9	Confident	24 Å²	24	57.9 Å²	57.9	15%	0.147	34%	0.339	C	S	.	.	H	α-helix	trans	-46.1	-46.7	172.1	-84.8	0	0	0	0	111.5	S637 E639 M649 I650 D651	S637-T647 WeakPolarHBondContact OG-CG2 3.19Å; E639-T647 VanDerWaalsContact CD-OG1 3.27Å; E639-T647 WeakPolarHBondContact CG-OG1 3.31Å; E639-T647 WeakPolarHBondContact OE1-CB 3.48Å; E639-T647 PolarHBondContact OE1-OG1 3.12Å; T647-M649 VanDerWaalsContact C-N 3.32Å; T647-M649 PolarHBondContact O-N 3.03Å; T647-I650 PolarHBondContact O-N 3.13Å; T647-D651 WeakPolarHBondContact O-CB 3.25Å; T647-D651 PolarHBondContact O-N 2.79Å
648	F	83.9	Confident	76.1	Confident	41 Å²	41	57.5 Å²	57.5	18%	0.18	34%	0.336	C	S	.	.	H	α-helix	trans	-62.8	-36.1	-179.8	-176.1	-115.2	0	0	0	113.5	S646 D651 L652 T677 L685	S646-F648 PolarHBondContact O-N 3.43Å; S646-F648 VanDerWaalsContact O-N 3.16Å; F648-D651 WeakPolarHBondContact O-CB 3.3Å; F648-D651 PolarHBondContact O-N 3.39Å; F648-L652 HydrophobicContact CD1-CD1 3.89Å; F648-L652 HydrophobicContact CD1-CG 4.45Å; F648-L652 HydrophobicContact CE1-CD1 3.45Å; F648-L652 VanDerWaalsContact CE1-CD1 3.45Å; F648-L652 HydrophobicContact CE1-CG 4.09Å; F648-L652 HydrophobicContact CE2-CD2 4.47Å; F648-L652 HydrophobicContact CE2-CG 4.28Å; F648-L652 HydrophobicContact CZ-CD1 3.8Å; F648-L652 HydrophobicContact CZ-CD2 4.12Å; F648-L652 HydrophobicContact CZ-CG 3.99Å; F648-L652 WeakPolarHBondContact O-CG 3.4Å; F648-L652 PolarHBondContact O-N 3.17Å; F648-T677 HydrophobicContact CD2-CG2 4.12Å; F648-T677 HydrophobicContact CE2-CG2 3.59Å; F648-T677 HydrophobicContact CZ-CG2 3.87Å; F648-L685 HydrophobicContact CE2-CD1 4.22Å; F648-L685 HydrophobicContact CZ-CD1 3.63Å
649	M	83.5	Confident	77.6	Confident	80 Å²	80	55.1 Å²	55.1	39%	0.394	32%	0.319	S	S	.	.	H	α-helix	trans	-71.5	-37.9	177.2	-172.5	58.6	70.1	0	0	112.1	L645 S646 T647 D651 L652 N653	L645-M649 HydrophobicContact CB-CB 4.38Å; L645-M649 HydrophobicContact CD1-CG 4.49Å; L645-M649 HydrophobicContact CD2-CG 3.96Å; S646-M649 PolarHBondContact O-N 3.24Å; S646-M649 PolarHBondContact OG-N 3.42Å; T647-M649 VanDerWaalsContact C-N 3.32Å; T647-M649 PolarHBondContact O-N 3.03Å; M649-D651 VanDerWaalsContact C-N 3.3Å; M649-L652 PolarHBondContact O-N 2.75Å; M649-N653 PolarHBondContact O-N 3.16Å; M649-N653 PolarHBondContact O-ND2 3.07Å
650	I	80.6	Confident	78.7	Confident	21 Å²	21	54.5 Å²	54.5	11%	0.108	32%	0.32	C	S	.	.	H	α-helix	trans	-60.6	-45.7	172.8	-62.5	170.6	0	0	0	109.6	L643 L645 S646 T647 L652 N653 Q654	L643-I650 HydrophobicContact CD1-CD1 4.22Å; L645-I650 HydrophobicContact CB-CD1 4.36Å; L645-I650 HydrophobicContact CB-CG1 3.84Å; L645-I650 HydrophobicContact CD1-CG1 4.39Å; S646-I650 PolarHBondContact O-N 3.39Å; T647-I650 PolarHBondContact O-N 3.13Å; I650-L652 PolarHBondContact O-N 2.81Å; I650-N653 PolarHBondContact O-N 3.25Å; I650-Q654 PolarHBondContact O-N 3.01Å
651	D	85.1	Confident	80	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-58.5	-47.8	178.3	-63.1	-8.2	0	0	0	112.1	R634 T647 F648 M649 N653 Q654 V655 F673	R634-D651 VanDerWaalsContact CZ-CG 3.44Å; R634-D651 IonicContact CZ-OD1 3.62Å; R634-D651 IonicContact CZ-OD2 2.92Å; R634-D651 IonicContact NE-OD1 3.74Å; R634-D651 PolarHBondContact NE-OD1 2.79Å; R634-D651 IonicContact NE-OD2 2.74Å; R634-D651 PolarHBondContact NE-OD2 2.85Å; R634-D651 IonicContact NH2-OD1 3.74Å; R634-D651 PolarHBondContact NH2-OD1 3.07Å; R634-D651 IonicContact NH2-OD2 3.54Å; R634-D651 PolarHBondContact NH2-OD2 2.97Å; T647-D651 WeakPolarHBondContact O-CB 3.25Å; T647-D651 PolarHBondContact O-N 2.79Å; F648-D651 WeakPolarHBondContact O-CB 3.3Å; F648-D651 PolarHBondContact O-N 3.39Å; M649-D651 VanDerWaalsContact C-N 3.3Å; D651-N653 VanDerWaalsContact C-N 3.31Å; D651-N653 PolarHBondContact O-N 2.96Å; D651-Q654 PolarHBondContact O-N 3.39Å; D651-V655 WeakPolarHBondContact O-CG2 3.36Å; D651-V655 PolarHBondContact O-N 2.83Å; D651-F673 HydrophobicContact CB-CD2 4.11Å; D651-F673 HydrophobicContact CB-CE2 4.15Å
652	L	86.9	Confident	81.4	Confident	50 Å²	50	46.6 Å²	46.6	26%	0.262	28%	0.276	S	S	.	.	H	α-helix	trans	-60.2	-41.7	177.2	-77.6	175	0	0	0	111.6	F648 M649 I650 V655 A656 F673	F648-L652 HydrophobicContact CD1-CD1 3.89Å; F648-L652 HydrophobicContact CD1-CG 4.45Å; F648-L652 HydrophobicContact CE1-CD1 3.45Å; F648-L652 VanDerWaalsContact CE1-CD1 3.45Å; F648-L652 HydrophobicContact CE1-CG 4.09Å; F648-L652 HydrophobicContact CE2-CD2 4.47Å; F648-L652 HydrophobicContact CE2-CG 4.28Å; F648-L652 HydrophobicContact CZ-CD1 3.8Å; F648-L652 HydrophobicContact CZ-CD2 4.12Å; F648-L652 HydrophobicContact CZ-CG 3.99Å; F648-L652 WeakPolarHBondContact O-CG 3.4Å; F648-L652 PolarHBondContact O-N 3.17Å; M649-L652 PolarHBondContact O-N 2.75Å; I650-L652 PolarHBondContact O-N 2.81Å; L652-V655 PolarHBondContact O-N 2.93Å; L652-A656 WeakPolarHBondContact O-CB 3.25Å; L652-A656 PolarHBondContact O-N 2.93Å; L652-F673 HydrophobicContact CD2-CE2 4.27Å; L652-F673 HydrophobicContact CD2-CZ 4.01Å
653	N	84.9	Confident	83.1	Confident	76 Å²	76	46.3 Å²	46.3	41%	0.406	27%	0.272	S	S	.	.	H	α-helix	trans	-65.3	-42.1	178.8	-75.9	-28.3	0	0	0	112.1	M649 I650 D651 A656 K657	M649-N653 PolarHBondContact O-N 3.16Å; M649-N653 PolarHBondContact O-ND2 3.07Å; I650-N653 PolarHBondContact O-N 3.25Å; D651-N653 VanDerWaalsContact C-N 3.31Å; D651-N653 PolarHBondContact O-N 2.96Å; N653-A656 PolarHBondContact O-N 2.74Å; N653-K657 VanDerWaalsContact O-CG 3.31Å; N653-K657 WeakPolarHBondContact O-CG 3.31Å; N653-K657 PolarHBondContact O-N 2.99Å
654	Q	86.4	Confident	84.4	Confident	13 Å²	13	45 Å²	45	6%	0.061	27%	0.269	C	S	.	.	H	α-helix	trans	-64.1	-46.5	177.1	-71.6	179	-24.3	0	0	111.5	D225 R634 I650 D651 K657 A658	D225-Q654 PolarHBondContact OD2-NE2 2.92Å; D225-Q654 VanDerWaalsContact OD2-NE2 3.1Å; R634-Q654 HydrophobicContact CB-CB 4.42Å; I650-Q654 PolarHBondContact O-N 3.01Å; D651-Q654 PolarHBondContact O-N 3.39Å; Q654-K657 PolarHBondContact O-N 3.16Å; Q654-A658 PolarHBondContact O-N 3.22Å; Q654-A658 VanDerWaalsContact O-N 3.12Å
655	V	89.8	Confident	85.5	Confident	7 Å²	7	45.2 Å²	45.2	4%	0.042	25%	0.251	C	S	.	.	H	α-helix	trans	-66.7	-39.7	177.1	175.5	0	0	0	0	111.1	R634 D651 L652 K657 A658 V659 F673 V689	R634-V655 HydrophobicContact CB-CG2 4.3Å; R634-V655 HydrophobicContact CG-CG2 4.12Å; D651-V655 WeakPolarHBondContact O-CG2 3.36Å; D651-V655 PolarHBondContact O-N 2.83Å; L652-V655 PolarHBondContact O-N 2.93Å; V655-K657 VanDerWaalsContact C-N 3.34Å; V655-K657 PolarHBondContact O-N 3.35Å; V655-A658 WeakPolarHBondContact O-CB 3.36Å; V655-A658 PolarHBondContact O-N 3.42Å; V655-A658 VanDerWaalsContact O-N 3.17Å; V655-V659 HydrophobicContact CG1-CG2 4.03Å; V655-V659 WeakPolarHBondContact O-CB 3.27Å; V655-V659 VanDerWaalsContact O-CG2 3.29Å; V655-V659 WeakPolarHBondContact O-CG2 3.23Å; V655-V659 PolarHBondContact O-N 3.28Å; V655-F673 HydrophobicContact CB-CE2 4.18Å; V655-F673 HydrophobicContact CB-CZ 4.33Å; V655-F673 HydrophobicContact CG1-CE1 4.49Å; V655-F673 HydrophobicContact CG1-CZ 4.31Å; V655-F673 HydrophobicContact CG2-CD2 3.63Å; V655-F673 HydrophobicContact CG2-CE2 3.69Å; V655-F673 HydrophobicContact CG2-CG 4.06Å; V655-F673 HydrophobicContact CG2-CZ 4.17Å; V655-V689 HydrophobicContact CG1-CG1 3.84Å; V655-V689 HydrophobicContact CG1-CG2 4.03Å
656	A	88.4	Confident	86.3	Confident	40 Å²	40	41.4 Å²	41.4	33%	0.331	23%	0.231	S	C	.	.	H	α-helix	trans	-62.1	-40.2	176.2	0	0	0	0	0	112	L652 N653 A658 V659 N660	L652-A656 WeakPolarHBondContact O-CB 3.25Å; L652-A656 PolarHBondContact O-N 2.93Å; N653-A656 PolarHBondContact O-N 2.74Å; A656-A658 VanDerWaalsContact C-N 3.34Å; A656-A658 PolarHBondContact O-N 3.28Å; A656-V659 PolarHBondContact O-N 2.71Å; A656-N660 VanDerWaalsContact O-CB 3.28Å; A656-N660 WeakPolarHBondContact O-CB 3.36Å; A656-N660 VanDerWaalsContact O-CG 3.22Å; A656-N660 PolarHBondContact O-N 3.22Å; A656-N660 PolarHBondContact O-ND2 3.41Å
657	K	85.2	Confident	86.9	Confident	75 Å²	75	38 Å²	38	33%	0.326	21%	0.208	S	C	.	.	H	α-helix	trans	-59.6	-45.1	172.9	-74.6	173.8	-176	178.7	0	111.5	D223 D225 N653 Q654 V655 N661	D223-K657 IonicContact OD2-NZ 3.33Å; D225-K657 IonicContact OD2-NZ 3.79Å; N653-K657 VanDerWaalsContact O-CG 3.31Å; N653-K657 WeakPolarHBondContact O-CG 3.31Å; N653-K657 PolarHBondContact O-N 2.99Å; Q654-K657 PolarHBondContact O-N 3.16Å; V655-K657 VanDerWaalsContact C-N 3.34Å; V655-K657 PolarHBondContact O-N 3.35Å; K657-N661 WeakPolarHBondContact O-CB 3.34Å; K657-N661 PolarHBondContact O-N 2.84Å; K657-N661 VanDerWaalsContact O-N 3.08Å; K657-N661 PolarHBondContact O-ND2 3.22Å
658	A	89.4	Confident	87.7	Confident	4 Å²	4	37 Å²	37	3%	0.033	20%	0.201	C	C	.	.	H	α-helix	trans	-64.8	-48.1	177.9	0	0	0	0	0	111.2	F632 Q654 V655 A656 N660 N661 A662 V668 W693	F632-A658 HydrophobicContact CB-CB 3.77Å; F632-A658 HydrophobicContact CD1-CB 4.2Å; F632-A658 HydrophobicContact CD2-CB 4.44Å; F632-A658 HydrophobicContact CG-CB 3.89Å; Q654-A658 PolarHBondContact O-N 3.22Å; Q654-A658 VanDerWaalsContact O-N 3.12Å; V655-A658 WeakPolarHBondContact O-CB 3.36Å; V655-A658 PolarHBondContact O-N 3.42Å; V655-A658 VanDerWaalsContact O-N 3.17Å; A656-A658 VanDerWaalsContact C-N 3.34Å; A656-A658 PolarHBondContact O-N 3.28Å; A658-N660 VanDerWaalsContact C-N 3.31Å; A658-N660 PolarHBondContact O-N 3.24Å; A658-N661 PolarHBondContact O-N 3.03Å; A658-A662 WeakPolarHBondContact O-CA 3.35Å; A658-A662 WeakPolarHBondContact O-CB 3.36Å; A658-A662 PolarHBondContact O-N 2.6Å; A658-V668 HydrophobicContact CB-CG1 4.28Å; A658-W693 HydrophobicContact CB-CH2 4.39Å; A658-W693 HydrophobicContact CB-CZ2 4.09Å
659	V	91.1	Very high	88.3	Confident	27 Å²	27	35 Å²	35	16%	0.164	19%	0.192	C	C	.	.	H	α-helix	trans	-58.7	-43.7	-179.8	170.2	0	0	0	0	111.2	V655 A656 V689 W693	V655-V659 HydrophobicContact CG1-CG2 4.03Å; V655-V659 WeakPolarHBondContact O-CB 3.27Å; V655-V659 VanDerWaalsContact O-CG2 3.29Å; V655-V659 WeakPolarHBondContact O-CG2 3.23Å; V655-V659 PolarHBondContact O-N 3.28Å; A656-V659 PolarHBondContact O-N 2.71Å; V659-V689 HydrophobicContact CG2-CG1 3.91Å; V659-W693 HydrophobicContact CB-CZ2 4.16Å; V659-W693 HydrophobicContact CG2-CH2 3.9Å; V659-W693 HydrophobicContact CG2-CZ2 3.38Å
660	N	86.8	Confident	88.8	Confident	123 Å²	123	31.3 Å²	31.3	66%	0.658	17%	0.174	S	C	*	.	H	α-helix	trans	-80.3	-24	-174.9	-68.8	-35.4	0	0	0	114.5	A656 A658	A656-N660 VanDerWaalsContact O-CB 3.28Å; A656-N660 WeakPolarHBondContact O-CB 3.36Å; A656-N660 VanDerWaalsContact O-CG 3.22Å; A656-N660 PolarHBondContact O-N 3.22Å; A656-N660 PolarHBondContact O-ND2 3.41Å; A658-N660 VanDerWaalsContact C-N 3.31Å; A658-N660 PolarHBondContact O-N 3.24Å
661	N	85.6	Confident	89.4	Confident	62 Å²	62	30.8 Å²	30.8	33%	0.332	17%	0.172	S	C	.	.	H	α-helix	trans	-119.3	-11.6	-173.6	-56.9	-62.7	0	0	0	114.4	K86 F632 K657 A658 T663	K86-N661 PolarHBondContact NZ-OD1 3.47Å; F632-N661 HydrophobicContact CE1-CB 4.35Å; F632-N661 HydrophobicContact CZ-CB 3.86Å; K657-N661 WeakPolarHBondContact O-CB 3.34Å; K657-N661 PolarHBondContact O-N 2.84Å; K657-N661 VanDerWaalsContact O-N 3.08Å; K657-N661 PolarHBondContact O-ND2 3.22Å; A658-N661 PolarHBondContact O-N 3.03Å; N661-T663 PolarHBondContact O-N 3.47Å
662	A	88.8	Confident	89.5	Confident	5 Å²	5	31.8 Å²	31.8	4%	0.041	18%	0.176	C	C	.	.			trans	-69.3	129.4	-179.6	0	0	0	0	0	112.2	F632 A658 V668 R696 P701	F632-A662 HydrophobicContact CD2-CB 4.14Å; F632-A662 HydrophobicContact CE2-CB 3.95Å; A658-A662 WeakPolarHBondContact O-CA 3.35Å; A658-A662 WeakPolarHBondContact O-CB 3.36Å; A658-A662 PolarHBondContact O-N 2.6Å; A662-V668 HydrophobicContact CB-CG2 4.14Å; A662-R696 PolarHBondContact O-NH1 3.49Å; A662-R696 PolarHBondContact O-NH2 2.88Å; A662-P701 HydrophobicContact CB-CB 4.13Å; A662-P701 HydrophobicContact CB-CG 4.05Å
663	T	88.7	Confident	89.5	Confident	49 Å²	49	29.5 Å²	29.5	30%	0.301	16%	0.164	S	C	.	.			trans	-95.8	-177.2	175.2	78.4	0	0	0	0	110.6	D629 N661 Q665 S666 P701	D629-T663 PolarHBondContact OD1-OG1 2.9Å; D629-T663 VanDerWaalsContact OD1-OG1 3.07Å; D629-T663 VanDerWaalsContact OD2-CB 3.3Å; D629-T663 WeakPolarHBondContact OD2-CB 3.36Å; D629-T663 WeakPolarHBondContact OD2-CG2 3.42Å; D629-T663 PolarHBondContact OD2-OG1 3.36Å; N661-T663 PolarHBondContact O-N 3.47Å; T663-Q665 PolarHBondContact O-N 2.9Å; T663-Q665 PolarHBondContact OG1-N 3.48Å; T663-Q665 VanDerWaalsContact OG1-N 3.14Å; T663-S666 PolarHBondContact N-OG 3.43Å; T663-S666 PolarHBondContact O-N 2.96Å; T663-S666 PolarHBondContact OG1-OG 3.21Å; T663-P701 WeakPolarHBondContact O-CA 3.33Å; T663-P701 VanDerWaalsContact O-CB 3.28Å; T663-P701 WeakPolarHBondContact O-CB 3.01Å
664	A	87.9	Confident	89.4	Confident	28 Å²	28	25.9 Å²	25.9	23%	0.231	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-13.9	175.3	0	0	0	0	0	113.8	R586 T699 H702	R586-A664 PolarHBondContact NH1-O 3.49Å; A664-T699 WeakPolarHBondContact CA-O 3.1Å; A664-H702 PolarHBondContact O-NE2 3Å
665	Q	88.9	Confident	89.2	Confident	74 Å²	74	30.8 Å²	30.8	35%	0.346	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-10.3	-177	-80.5	174.7	-35.7	0	0	112.7	L554 A627 V628 D629 T663	L554-Q665 HydrophobicContact CD2-CG 4.26Å; A627-Q665 WeakPolarHBondContact O-CB 3.28Å; A627-Q665 VanDerWaalsContact O-CG 3.23Å; A627-Q665 WeakPolarHBondContact O-CG 3.38Å; A627-Q665 PolarHBondContact O-NE2 2.92Å; V628-Q665 WeakPolarHBondContact CA-O 3.32Å; D629-Q665 HydrophobicContact CB-CB 4.37Å; D629-Q665 VanDerWaalsContact OD1-C 3.29Å; T663-Q665 PolarHBondContact O-N 2.9Å; T663-Q665 PolarHBondContact OG1-N 3.48Å; T663-Q665 VanDerWaalsContact OG1-N 3.14Å
666	S	91.6	Very high	88.7	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.185	C	C	.	.			trans	-74	142.9	-177	-52	0	0	0	0	111.8	D629 A630 T663 P701 H702	D629-S666 WeakPolarHBondContact OD1-CA 3.28Å; D629-S666 WeakPolarHBondContact OD1-CB 3.46Å; D629-S666 PolarHBondContact OD1-N 3.37Å; D629-S666 PolarHBondContact OD1-OG 2.83Å; A630-S666 CarbonylContact O-C 3.58Å; A630-S666 WeakPolarHBondContact O-CA 3.49Å; T663-S666 PolarHBondContact N-OG 3.43Å; T663-S666 PolarHBondContact O-N 2.96Å; T663-S666 PolarHBondContact OG1-OG 3.21Å; S666-P701 WeakPolarHBondContact O-CB 3.45Å; S666-H702 PolarHBondContact O-N 2.96Å
667	L	93.8	Very high	88.5	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	126.4	171.3	179.9	64.3	0	0	0	109.3	T609 V628 A630 I631 F632 L669 H702 F704	T609-L667 HydrophobicContact CG2-CD2 4.01Å; V628-L667 HydrophobicContact CG1-CB 4.14Å; A630-L667 PolarHBondContact O-N 3.27Å; I631-L667 CarbonylContact C-O 3.48Å; I631-L667 WeakPolarHBondContact CA-O 3.42Å; I631-L667 HydrophobicContact CG1-CB 4.42Å; I631-L667 HydrophobicContact CG2-CD2 4.42Å; F632-L667 PolarHBondContact N-O 3.35Å; L667-L669 HydrophobicContact CD1-CD2 4.04Å; L667-L669 HydrophobicContact CD2-CD2 4.39Å; L667-L669 HydrophobicContact CG-CD2 4.1Å; L667-L669 HydrophobicContact CG-CG 4.34Å; L667-H702 CarbonylContact C-O 3.48Å; L667-H702 WeakPolarHBondContact CA-O 3.38Å; L667-H702 HydrophobicContact CD1-CB 4.19Å; L667-F704 HydrophobicContact CD1-CD2 3.74Å; L667-F704 HydrophobicContact CD1-CE2 3.68Å
668	V	95	Very high	88.5	Confident	1 Å²	1	33.5 Å²	33.5	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	119.4	-179.2	-176.5	0	0	0	0	109.1	F632 A658 A662 I670 W693 P701 H702 I703 F704	F632-V668 HydrophobicContact CB-CG1 4.48Å; F632-V668 HydrophobicContact CB-CG2 4.31Å; F632-V668 HydrophobicContact CD2-CG2 4.2Å; F632-V668 CarbonylContact O-C 3.57Å; F632-V668 WeakPolarHBondContact O-CA 3.43Å; A658-V668 HydrophobicContact CB-CG1 4.28Å; A662-V668 HydrophobicContact CB-CG2 4.14Å; V668-I670 HydrophobicContact CG1-CD1 3.98Å; V668-I670 HydrophobicContact CG1-CG1 3.97Å; V668-W693 HydrophobicContact CG1-CH2 3.96Å; V668-W693 HydrophobicContact CG1-CZ2 4.46Å; V668-P701 HydrophobicContact CG2-CB 4.04Å; V668-P701 HydrophobicContact CG2-CG 4.28Å; V668-H702 PolarHBondContact N-O 3.22Å; V668-I703 HydrophobicContact CB-CG1 4.32Å; V668-I703 HydrophobicContact CB-CG2 4.35Å; V668-I703 HydrophobicContact CG1-CG2 4.42Å; V668-I703 CarbonylContact O-C 3.56Å; V668-I703 WeakPolarHBondContact O-CA 3.47Å; V668-F704 PolarHBondContact O-N 3.48Å
669	L	95.5	Very high	88.2	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	116.8	179.4	-52	177.3	0	0	0	109.7	L230 L602 F632 T633 R634 I635 L667 F704	L230-L669 HydrophobicContact CD2-CD1 4.46Å; L602-L669 WeakPolarHBondContact O-CD1 3.15Å; F632-L669 PolarHBondContact O-N 3.45Å; T633-L669 CarbonylContact C-O 3.59Å; T633-L669 WeakPolarHBondContact CA-O 3.28Å; T633-L669 HydrophobicContact CG2-CB 4.15Å; T633-L669 HydrophobicContact CG2-CD1 4.04Å; T633-L669 HydrophobicContact CG2-CG 4.38Å; R634-L669 PolarHBondContact N-O 2.98Å; I635-L669 HydrophobicContact CD1-CB 4.27Å; L667-L669 HydrophobicContact CD1-CD2 4.04Å; L667-L669 HydrophobicContact CD2-CD2 4.39Å; L667-L669 HydrophobicContact CG-CD2 4.1Å; L667-L669 HydrophobicContact CG-CG 4.34Å; L669-F704 WeakPolarHBondContact CA-O 3.49Å; L669-F704 HydrophobicContact CD2-CB 3.87Å; L669-F704 HydrophobicContact CD2-CD2 3.84Å; L669-F704 HydrophobicContact CD2-CG 4.16Å
670	I	94.5	Very high	88	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	126	-177.8	-61	170.2	0	0	0	109.1	L602 R634 V668 F673 W693 F704 V705 A706	L602-I670 WeakPolarHBondContact CD1-O 3.48Å; R634-I670 HydrophobicContact CB-CG1 4.5Å; R634-I670 HydrophobicContact CG-CG2 4.45Å; R634-I670 CarbonylContact O-C 3.57Å; R634-I670 WeakPolarHBondContact O-CA 3.36Å; V668-I670 HydrophobicContact CG1-CD1 3.98Å; V668-I670 HydrophobicContact CG1-CG1 3.97Å; I670-F673 HydrophobicContact CG2-CB 3.46Å; I670-F673 VanDerWaalsContact CG2-CB 3.46Å; I670-F673 HydrophobicContact CG2-CG 4.49Å; I670-W693 HydrophobicContact CD1-CH2 3.88Å; I670-W693 HydrophobicContact CD1-CZ3 3.72Å; I670-F704 PolarHBondContact N-O 3.29Å; I670-V705 HydrophobicContact CB-CG1 4.39Å; I670-V705 HydrophobicContact CB-CG2 4.1Å; I670-V705 HydrophobicContact CD1-CG2 4.2Å; I670-V705 HydrophobicContact CG2-CG1 4.33Å; I670-V705 CarbonylContact O-C 3.56Å; I670-V705 VanDerWaalsContact O-CA 3.27Å; I670-V705 WeakPolarHBondContact O-CA 3.3Å; I670-A706 PolarHBondContact O-N 2.74Å
671	D	92.4	Very high	88.1	Confident	11 Å²	11	38.9 Å²	38.9	6%	0.059	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	116.8	176.2	-160.5	9.5	0	0	0	109.6	S599 L602 R634 I635 F673 A706	S599-D671 WeakPolarHBondContact CB-OD2 3.48Å; S599-D671 PolarHBondContact OG-OD2 3.09Å; L602-D671 HydrophobicContact CD1-CB 3.78Å; R634-D671 PolarHBondContact O-N 2.85Å; I635-D671 HydrophobicContact CB-CB 4.05Å; I635-D671 HydrophobicContact CG1-CB 4.13Å; I635-D671 HydrophobicContact CG2-CB 3.89Å; D671-F673 VanDerWaalsContact C-N 3.32Å; D671-F673 PolarHBondContact O-N 3.29Å; D671-A706 WeakPolarHBondContact OD1-CB 3.4Å
672	E	87.4	Confident	88.2	Confident	21 Å²	21	35.9 Å²	35.9	10%	0.098	21%	0.208	C	C	.	.	S	Bend	trans	52.2	41.9	173	-56.4	-63.2	160.1	0	0	114.7	K598 K675 A706 N708	K598-E672 VanDerWaalsContact CE-OE1 3.3Å; K598-E672 WeakPolarHBondContact CE-OE1 3.47Å; K598-E672 IonicContact NZ-OE1 2.7Å; E672-K675 HydrophobicContact CB-CD 3.96Å; E672-K675 WeakPolarHBondContact O-CG 3.44Å; E672-A706 PolarHBondContact N-O 3.31Å; E672-N708 VanDerWaalsContact CD-ND2 3.29Å; E672-N708 PolarHBondContact OE1-N 3.35Å; E672-N708 VanDerWaalsContact OE1-N 3.12Å; E672-N708 PolarHBondContact OE1-ND2 3.12Å; E672-N708 VanDerWaalsContact OE1-ND2 3.1Å; E672-N708 PolarHBondContact OE1-OD1 2.91Å; E672-N708 WeakPolarHBondContact OE2-CB 3.44Å; E672-N708 PolarHBondContact OE2-N 3.39Å; E672-N708 PolarHBondContact OE2-ND2 3.33Å
673	F	87.9	Confident	88.2	Confident	2 Å²	2	36.5 Å²	36.5	1%	0.009	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	135.1	172.7	175.8	-113.6	0	0	0	111.5	D651 L652 V655 I670 D671 L685 L686 V689	D651-F673 HydrophobicContact CB-CD2 4.11Å; D651-F673 HydrophobicContact CB-CE2 4.15Å; L652-F673 HydrophobicContact CD2-CE2 4.27Å; L652-F673 HydrophobicContact CD2-CZ 4.01Å; V655-F673 HydrophobicContact CB-CE2 4.18Å; V655-F673 HydrophobicContact CB-CZ 4.33Å; V655-F673 HydrophobicContact CG1-CE1 4.49Å; V655-F673 HydrophobicContact CG1-CZ 4.31Å; V655-F673 HydrophobicContact CG2-CD2 3.63Å; V655-F673 HydrophobicContact CG2-CE2 3.69Å; V655-F673 HydrophobicContact CG2-CG 4.06Å; V655-F673 HydrophobicContact CG2-CZ 4.17Å; I670-F673 HydrophobicContact CG2-CB 3.46Å; I670-F673 VanDerWaalsContact CG2-CB 3.46Å; I670-F673 HydrophobicContact CG2-CG 4.49Å; D671-F673 VanDerWaalsContact C-N 3.32Å; D671-F673 PolarHBondContact O-N 3.29Å; F673-L685 HydrophobicContact CE1-CB 4.22Å; F673-L686 HydrophobicContact CB-CD1 4.44Å; F673-L686 HydrophobicContact CD1-CB 4.08Å; F673-L686 HydrophobicContact CD1-CD1 3.96Å; F673-V689 HydrophobicContact CE1-CG2 4.32Å
674	G	83.4	Confident	88.3	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.9	-2.9	179.9	0	0	0	0	0	115.1	G676 G682	G674-G676 VanDerWaalsContact C-N 3.28Å; G674-G676 PolarHBondContact O-N 3.02Å; G674-G682 WeakPolarHBondContact O-CA 3.39Å
675	K	81.4	Confident	88.4	Confident	116 Å²	116	38.4 Å²	38.4	50%	0.504	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-19.3	178.9	71.4	-179.7	174.6	-173	0	115.1	E672 T677	E672-K675 HydrophobicContact CB-CD 3.96Å; E672-K675 WeakPolarHBondContact O-CG 3.44Å; K675-T677 VanDerWaalsContact C-N 3.26Å; K675-T677 PolarHBondContact O-N 3.27Å
676	G	79.2	Confident	88.5	Confident	43 Å²	43	34.9 Å²	34.9	44%	0.443	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	4.1	-178.1	0	0	0	0	0	114.9	G674	G674-G676 VanDerWaalsContact C-N 3.28Å; G674-G676 PolarHBondContact O-N 3.02Å
677	T	84	Confident	88.5	Confident	47 Å²	47	35.2 Å²	35.2	29%	0.288	21%	0.208	S	C	.	.	S	Bend	trans	-135.4	-176.9	-179.9	-170.9	0	0	0	0	110.3	F648 K675 T679 D681	F648-T677 HydrophobicContact CD2-CG2 4.12Å; F648-T677 HydrophobicContact CE2-CG2 3.59Å; F648-T677 HydrophobicContact CZ-CG2 3.87Å; K675-T677 VanDerWaalsContact C-N 3.26Å; K675-T677 PolarHBondContact O-N 3.27Å; T677-T679 PolarHBondContact O-N 3.5Å; T677-D681 HydrophobicContact CG2-CB 4.2Å
678	N	85.7	Confident	88.4	Confident	89 Å²	89	37.9 Å²	37.9	48%	0.476	23%	0.23	S	C	.	.			trans	-52.2	133.4	172.1	-177.2	1.6	0	0	0	110.3	V680 D681 G682	N678-V680 PolarHBondContact O-N 3.24Å; N678-V680 VanDerWaalsContact O-N 3.09Å; N678-D681 HydrophobicContact CB-CB 4.34Å; N678-D681 PolarHBondContact O-N 2.83Å; N678-G682 PolarHBondContact O-N 3.21Å
679	T	83.3	Confident	88.3	Confident	91 Å²	91	39 Å²	39	56%	0.558	24%	0.237	S	C	*	.	H	α-helix	trans	-49.3	-38.9	-178.2	55.7	0	0	0	0	113.7	T677 L683	T677-T679 PolarHBondContact O-N 3.5Å; T679-L683 VanDerWaalsContact O-CB 3.22Å; T679-L683 WeakPolarHBondContact O-CB 3.4Å; T679-L683 PolarHBondContact O-N 2.92Å
680	V	87	Confident	88.1	Confident	95 Å²	95	39 Å²	39	58%	0.576	24%	0.237	S	C	*	.	H	α-helix	trans	-69.5	-45.4	178.8	-178.7	0	0	0	0	111.3	N678 L683 A684	N678-V680 PolarHBondContact O-N 3.24Å; N678-V680 VanDerWaalsContact O-N 3.09Å; V680-L683 PolarHBondContact O-N 3.31Å; V680-A684 VanDerWaalsContact O-CB 3.3Å; V680-A684 WeakPolarHBondContact O-CB 3.25Å; V680-A684 PolarHBondContact O-N 2.97Å
681	D	88.8	Confident	88	Confident	80 Å²	80	45 Å²	45	43%	0.428	26%	0.26	S	S	.	.	H	α-helix	trans	-68.3	-41.4	-179.9	-61.6	-27	0	0	0	111.1	T677 N678 A684 L685	T677-D681 HydrophobicContact CG2-CB 4.2Å; N678-D681 HydrophobicContact CB-CB 4.34Å; N678-D681 PolarHBondContact O-N 2.83Å; D681-A684 PolarHBondContact O-N 3.43Å; D681-L685 WeakPolarHBondContact O-CB 3.47Å; D681-L685 VanDerWaalsContact O-CG 3.3Å; D681-L685 WeakPolarHBondContact O-CG 3.16Å; D681-L685 PolarHBondContact O-N 2.84Å
682	G	87.8	Confident	87.9	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-61.3	-46	175.8	0	0	0	0	0	112.2	G674 N678 L685 L686	G674-G682 WeakPolarHBondContact O-CA 3.39Å; N678-G682 PolarHBondContact O-N 3.21Å; G682-L685 PolarHBondContact O-N 3.42Å; G682-L686 WeakPolarHBondContact O-CB 3.2Å; G682-L686 PolarHBondContact O-N 3.37Å
683	L	89	Confident	88.1	Confident	17 Å²	17	48.2 Å²	48.2	9%	0.089	27%	0.274	C	S	.	.	H	α-helix	trans	-60.2	-46.7	173.3	174	60.7	0	0	0	111.8	T679 V680 L685 L686 A687 F709 L712 L717	T679-L683 VanDerWaalsContact O-CB 3.22Å; T679-L683 WeakPolarHBondContact O-CB 3.4Å; T679-L683 PolarHBondContact O-N 2.92Å; V680-L683 PolarHBondContact O-N 3.31Å; L683-L685 PolarHBondContact O-N 3.18Å; L683-L686 PolarHBondContact O-N 3.11Å; L683-A687 WeakPolarHBondContact O-CB 3.46Å; L683-A687 PolarHBondContact O-N 3.45Å; L683-F709 HydrophobicContact CB-CD2 4.39Å; L683-F709 HydrophobicContact CB-CG 4.46Å; L683-F709 HydrophobicContact CD1-CB 3.92Å; L683-F709 HydrophobicContact CD1-CD2 4.4Å; L683-F709 HydrophobicContact CD1-CG 4.28Å; L683-L712 HydrophobicContact CD1-CB 3.63Å; L683-L712 HydrophobicContact CD1-CD1 3.7Å; L683-L712 HydrophobicContact CD1-CG 4.27Å; L683-L717 HydrophobicContact CD1-CD1 3.89Å; L683-L717 HydrophobicContact CD2-CD1 3.9Å; L683-L717 HydrophobicContact CG-CD1 3.75Å
684	A	89.8	Confident	88.2	Confident	51 Å²	51	48.9 Å²	48.9	42%	0.421	28%	0.277	S	S	.	.	H	α-helix	trans	-62.2	-42.9	-179.3	0	0	0	0	0	111.7	V680 D681 A687 A688	V680-A684 VanDerWaalsContact O-CB 3.3Å; V680-A684 WeakPolarHBondContact O-CB 3.25Å; V680-A684 PolarHBondContact O-N 2.97Å; D681-A684 PolarHBondContact O-N 3.43Å; A684-A687 PolarHBondContact O-N 3.09Å; A684-A688 VanDerWaalsContact O-CB 3.28Å; A684-A688 WeakPolarHBondContact O-CB 3.41Å; A684-A688 PolarHBondContact O-N 3.08Å
685	L	90.8	Very high	88.4	Confident	67 Å²	67	53.1 Å²	53.1	35%	0.351	31%	0.313	S	S	.	.	H	α-helix	trans	-66.1	-45.3	176.6	-73.3	171.2	0	0	0	112	F648 F673 D681 G682 L683 A687 A688 V689	F648-L685 HydrophobicContact CE2-CD1 4.22Å; F648-L685 HydrophobicContact CZ-CD1 3.63Å; F673-L685 HydrophobicContact CE1-CB 4.22Å; D681-L685 WeakPolarHBondContact O-CB 3.47Å; D681-L685 VanDerWaalsContact O-CG 3.3Å; D681-L685 WeakPolarHBondContact O-CG 3.16Å; D681-L685 PolarHBondContact O-N 2.84Å; G682-L685 PolarHBondContact O-N 3.42Å; L683-L685 PolarHBondContact O-N 3.18Å; L685-A687 VanDerWaalsContact C-N 3.33Å; L685-A687 PolarHBondContact O-N 3.22Å; L685-A688 PolarHBondContact O-N 2.89Å; L685-V689 WeakPolarHBondContact O-CB 3.2Å; L685-V689 VanDerWaalsContact O-CG2 3.32Å; L685-V689 WeakPolarHBondContact O-CG2 3.44Å; L685-V689 PolarHBondContact O-N 3.41Å
686	L	91.2	Very high	88.6	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-58.8	-46.7	175.4	176.5	61.8	0	0	0	111	F673 G682 L683 A688 V689 L690 V705 T707 F709 L712	F673-L686 HydrophobicContact CB-CD1 4.44Å; F673-L686 HydrophobicContact CD1-CB 4.08Å; F673-L686 HydrophobicContact CD1-CD1 3.96Å; G682-L686 WeakPolarHBondContact O-CB 3.2Å; G682-L686 PolarHBondContact O-N 3.37Å; L683-L686 PolarHBondContact O-N 3.11Å; L686-A688 VanDerWaalsContact C-N 3.34Å; L686-A688 PolarHBondContact O-N 3.21Å; L686-V689 PolarHBondContact O-N 3.05Å; L686-L690 HydrophobicContact CD1-CD1 4.1Å; L686-L690 HydrophobicContact CD1-CG 4.23Å; L686-L690 HydrophobicContact CG-CD1 4.22Å; L686-L690 WeakPolarHBondContact O-CB 3.47Å; L686-L690 WeakPolarHBondContact O-CG 3.28Å; L686-L690 PolarHBondContact O-N 3.46Å; L686-V705 HydrophobicContact CD1-CG1 4.07Å; L686-T707 HydrophobicContact CD2-CG2 4.44Å; L686-F709 HydrophobicContact CD2-CD2 4.1Å; L686-L712 HydrophobicContact CD2-CD2 4.17Å
687	A	91.2	Very high	88.8	Confident	6 Å²	6	50.2 Å²	50.2	5%	0.05	29%	0.291	C	S	.	.	H	α-helix	trans	-61.6	-41.6	176.9	0	0	0	0	0	112	L683 A684 L685 R691 L712 L717	L683-A687 WeakPolarHBondContact O-CB 3.46Å; L683-A687 PolarHBondContact O-N 3.45Å; A684-A687 PolarHBondContact O-N 3.09Å; L685-A687 VanDerWaalsContact C-N 3.33Å; L685-A687 PolarHBondContact O-N 3.22Å; A687-R691 VanDerWaalsContact O-CB 3.27Å; A687-R691 WeakPolarHBondContact O-CB 3.27Å; A687-R691 VanDerWaalsContact O-CG 3.27Å; A687-R691 WeakPolarHBondContact O-CG 3.43Å; A687-R691 PolarHBondContact O-N 2.97Å; A687-L712 HydrophobicContact CB-CD1 3.71Å; A687-L717 HydrophobicContact CB-CB 4.04Å; A687-L717 HydrophobicContact CB-CD1 4.14Å
688	A	91.4	Very high	88.6	Confident	57 Å²	57	52.9 Å²	52.9	47%	0.471	31%	0.309	S	S	.	.	H	α-helix	trans	-64.3	-45	178.2	0	0	0	0	0	112.2	A684 L685 L686 R691 H692	A684-A688 VanDerWaalsContact O-CB 3.28Å; A684-A688 WeakPolarHBondContact O-CB 3.41Å; A684-A688 PolarHBondContact O-N 3.08Å; L685-A688 PolarHBondContact O-N 2.89Å; L686-A688 VanDerWaalsContact C-N 3.34Å; L686-A688 PolarHBondContact O-N 3.21Å; A688-R691 PolarHBondContact O-N 3.27Å; A688-H692 WeakPolarHBondContact O-CB 3.49Å; A688-H692 PolarHBondContact O-N 3.32Å
689	V	92.7	Very high	88.5	Confident	24 Å²	24	51.9 Å²	51.9	15%	0.145	31%	0.306	C	S	.	.	H	α-helix	trans	-62.1	-47.3	177.2	167.2	0	0	0	0	111	V655 V659 F673 L685 L686 R691 H692 W693	V655-V689 HydrophobicContact CG1-CG1 3.84Å; V655-V689 HydrophobicContact CG1-CG2 4.03Å; V659-V689 HydrophobicContact CG2-CG1 3.91Å; F673-V689 HydrophobicContact CE1-CG2 4.32Å; L685-V689 WeakPolarHBondContact O-CB 3.2Å; L685-V689 VanDerWaalsContact O-CG2 3.32Å; L685-V689 WeakPolarHBondContact O-CG2 3.44Å; L685-V689 PolarHBondContact O-N 3.41Å; L686-V689 PolarHBondContact O-N 3.05Å; V689-R691 PolarHBondContact O-N 3.33Å; V689-H692 WeakPolarHBondContact O-CB 3.26Å; V689-H692 PolarHBondContact O-N 3.44Å; V689-W693 HydrophobicContact CG1-CD2 4.39Å; V689-W693 HydrophobicContact CG1-CE3 3.62Å; V689-W693 HydrophobicContact CG1-CH2 3.64Å; V689-W693 HydrophobicContact CG1-CZ2 4.36Å; V689-W693 HydrophobicContact CG1-CZ3 3.23Å; V689-W693 PolarHBondContact O-N 2.89Å
690	L	92.2	Very high	88.8	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-63.3	-42.7	176.8	-72.6	179.7	0	0	0	112.1	V587 L686 H692 W693 L694 I703 V705 L712 L718	V587-L690 HydrophobicContact CG1-CD2 4.03Å; L686-L690 HydrophobicContact CD1-CD1 4.1Å; L686-L690 HydrophobicContact CD1-CG 4.23Å; L686-L690 HydrophobicContact CG-CD1 4.22Å; L686-L690 WeakPolarHBondContact O-CB 3.47Å; L686-L690 WeakPolarHBondContact O-CG 3.28Å; L686-L690 PolarHBondContact O-N 3.46Å; L690-H692 VanDerWaalsContact C-N 3.31Å; L690-H692 PolarHBondContact O-N 3.42Å; L690-W693 HydrophobicContact CD2-CE3 4.27Å; L690-W693 HydrophobicContact CD2-CZ3 4.48Å; L690-W693 PolarHBondContact O-N 3.2Å; L690-L694 WeakPolarHBondContact O-CB 3.33Å; L690-L694 VanDerWaalsContact O-CG 3.23Å; L690-L694 WeakPolarHBondContact O-CG 3.36Å; L690-L694 PolarHBondContact O-N 3.41Å; L690-I703 HydrophobicContact CD2-CG2 4.31Å; L690-V705 HydrophobicContact CD2-CG2 3.8Å; L690-L712 HydrophobicContact CD1-CD2 4.18Å; L690-L718 HydrophobicContact CB-CD2 3.62Å; L690-L718 HydrophobicContact CD1-CD1 3.93Å; L690-L718 HydrophobicContact CD1-CD2 4.03Å
691	R	91.1	Very high	89	Confident	128 Å²	128	43 Å²	43	48%	0.483	25%	0.252	S	S	.	.	H	α-helix	trans	-61.2	-39.7	174.7	-81.6	-179.7	167	174.5	-2.6	112.2	A687 A688 V689 W693 L694 A695 L717 L718	A687-R691 VanDerWaalsContact O-CB 3.27Å; A687-R691 WeakPolarHBondContact O-CB 3.27Å; A687-R691 VanDerWaalsContact O-CG 3.27Å; A687-R691 WeakPolarHBondContact O-CG 3.43Å; A687-R691 PolarHBondContact O-N 2.97Å; A688-R691 PolarHBondContact O-N 3.27Å; V689-R691 PolarHBondContact O-N 3.33Å; R691-W693 PolarHBondContact O-N 3.11Å; R691-L694 PolarHBondContact O-N 3.45Å; R691-A695 WeakPolarHBondContact O-CB 3.39Å; R691-A695 PolarHBondContact O-N 2.85Å; R691-L717 PolarHBondContact NE-O 2.99Å; R691-L717 PolarHBondContact NH2-O 2.9Å; R691-L718 HydrophobicContact CG-CD2 4.48Å
692	H	91.7	Very high	89.2	Confident	99 Å²	99	39.3 Å²	39.3	46%	0.458	23%	0.232	S	C	.	.	H	α-helix	trans	-59.2	-46.2	177.1	176.6	80.2	0	0	0	111.5	A688 V689 L690	A688-H692 WeakPolarHBondContact O-CB 3.49Å; A688-H692 PolarHBondContact O-N 3.32Å; V689-H692 WeakPolarHBondContact O-CB 3.26Å; V689-H692 PolarHBondContact O-N 3.44Å; L690-H692 VanDerWaalsContact C-N 3.31Å; L690-H692 PolarHBondContact O-N 3.42Å
693	W	91	Very high	89.4	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-69.9	-40.4	176	-73.1	-47.9	0	0	0	113.2	A658 V659 V668 I670 V689 L690 R691 A695 R696 C700 P701 I703	A658-W693 HydrophobicContact CB-CH2 4.39Å; A658-W693 HydrophobicContact CB-CZ2 4.09Å; V659-W693 HydrophobicContact CB-CZ2 4.16Å; V659-W693 HydrophobicContact CG2-CH2 3.9Å; V659-W693 HydrophobicContact CG2-CZ2 3.38Å; V668-W693 HydrophobicContact CG1-CH2 3.96Å; V668-W693 HydrophobicContact CG1-CZ2 4.46Å; I670-W693 HydrophobicContact CD1-CH2 3.88Å; I670-W693 HydrophobicContact CD1-CZ3 3.72Å; V689-W693 HydrophobicContact CG1-CD2 4.39Å; V689-W693 HydrophobicContact CG1-CE3 3.62Å; V689-W693 HydrophobicContact CG1-CH2 3.64Å; V689-W693 HydrophobicContact CG1-CZ2 4.36Å; V689-W693 HydrophobicContact CG1-CZ3 3.23Å; V689-W693 PolarHBondContact O-N 2.89Å; L690-W693 HydrophobicContact CD2-CE3 4.27Å; L690-W693 HydrophobicContact CD2-CZ3 4.48Å; L690-W693 PolarHBondContact O-N 3.2Å; R691-W693 PolarHBondContact O-N 3.11Å; W693-A695 VanDerWaalsContact C-N 3.26Å; W693-A695 PolarHBondContact O-N 3.33Å; W693-R696 VanDerWaalsContact O-CB 3.24Å; W693-R696 WeakPolarHBondContact O-CB 3.39Å; W693-R696 PolarHBondContact O-N 3.27Å; W693-C700 WeakPolarHBondContact O-CB 3.38Å; W693-C700 PolarHBondContact O-SG 3.39Å; W693-P701 HydrophobicContact CD2-CG 4.5Å; W693-P701 HydrophobicContact CG-CG 4.17Å; W693-I703 HydrophobicContact CB-CD1 3.72Å; W693-I703 HydrophobicContact CD2-CD1 3.58Å; W693-I703 HydrophobicContact CE3-CD1 3.3Å; W693-I703 HydrophobicContact CG-CD1 3.81Å; W693-I703 HydrophobicContact CZ3-CD1 3.97Å; W693-I703 HydrophobicContact CZ3-CG2 4.5Å
694	L	89.1	Confident	89.7	Confident	16 Å²	16	38.5 Å²	38.5	8%	0.084	23%	0.228	C	C	.	.	H	α-helix	trans	-62.7	-33.8	177	-72.6	168.9	0	0	0	112.4	V587 L690 R691 R696 G697 L718 P719 L723 V724	V587-L694 HydrophobicContact CB-CD2 4.24Å; V587-L694 HydrophobicContact CG2-CD2 3.59Å; V587-L694 HydrophobicContact CG2-CG 4.22Å; L690-L694 WeakPolarHBondContact O-CB 3.33Å; L690-L694 VanDerWaalsContact O-CG 3.23Å; L690-L694 WeakPolarHBondContact O-CG 3.36Å; L690-L694 PolarHBondContact O-N 3.41Å; R691-L694 PolarHBondContact O-N 3.45Å; L694-R696 PolarHBondContact O-N 3.21Å; L694-G697 PolarHBondContact O-N 3.2Å; L694-L718 HydrophobicContact CD1-CD2 4.34Å; L694-P719 HydrophobicContact CD1-CG 4.03Å; L694-L723 HydrophobicContact CD2-CB 3.87Å; L694-L723 HydrophobicContact CD2-CD1 4.48Å; L694-V724 HydrophobicContact CD1-CG2 3.52Å; L694-V724 HydrophobicContact CD2-CG2 3.49Å; L694-V724 VanDerWaalsContact CD2-CG2 3.49Å; L694-V724 HydrophobicContact CG-CG2 4.16Å
695	A	88.3	Confident	90	Very high	90 Å²	90	36 Å²	36	74%	0.744	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-19.8	175.2	0	0	0	0	0	113.2	R691 W693 G697	R691-A695 WeakPolarHBondContact O-CB 3.39Å; R691-A695 PolarHBondContact O-N 2.85Å; W693-A695 VanDerWaalsContact C-N 3.26Å; W693-A695 PolarHBondContact O-N 3.33Å; A695-G697 PolarHBondContact O-N 2.93Å
696	R	86.3	Confident	90	Very high	79 Å²	79	32.9 Å²	32.9	30%	0.298	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-7.9	173.9	-61.3	176.6	59.7	172.7	-6.3	113.4	A662 W693 L694 P698 T699	A662-R696 PolarHBondContact O-NH1 3.49Å; A662-R696 PolarHBondContact O-NH2 2.88Å; W693-R696 VanDerWaalsContact O-CB 3.24Å; W693-R696 WeakPolarHBondContact O-CB 3.39Å; W693-R696 PolarHBondContact O-N 3.27Å; L694-R696 PolarHBondContact O-N 3.21Å; R696-P698 WeakPolarHBondContact O-CD 3.09Å; R696-T699 WeakPolarHBondContact CB-OG1 3.01Å; R696-T699 PolarHBondContact NE-O 3.47Å; R696-T699 PolarHBondContact NH2-O 3.34Å; R696-T699 PolarHBondContact O-N 2.81Å; R696-T699 PolarHBondContact O-OG1 3.46Å
697	G	83.1	Confident	90	Very high	19 Å²	19	32.9 Å²	32.9	20%	0.196	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	58.2	-119.9	177.3	0	0	0	0	0	112.5	L694 A695 T699 C700	L694-G697 PolarHBondContact O-N 3.2Å; A695-G697 PolarHBondContact O-N 2.93Å; G697-T699 PolarHBondContact O-N 3.49Å; G697-C700 WeakPolarHBondContact O-CB 3.36Å; G697-C700 PolarHBondContact O-N 3.4Å
698	P	79.1	Confident	89.6	Confident	102 Å²	102	35.1 Å²	35.1	66%	0.662	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-68.3	-18.7	-177.3	28.9	-34.7	0	0	0	113.6	R586 R696 C700	R586-P698 VanDerWaalsContact CZ-O 3.3Å; R586-P698 PolarHBondContact NE-O 3.45Å; R696-P698 WeakPolarHBondContact O-CD 3.09Å; P698-C700 VanDerWaalsContact C-N 3.26Å; P698-C700 PolarHBondContact O-N 3.22Å
699	T	84.8	Confident	89.3	Confident	68 Å²	68	34 Å²	34	42%	0.417	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-89.5	9.8	177.6	68	0	0	0	0	113.4	A664 R696 G697	A664-T699 WeakPolarHBondContact CA-O 3.1Å; R696-T699 WeakPolarHBondContact CB-OG1 3.01Å; R696-T699 PolarHBondContact NE-O 3.47Å; R696-T699 PolarHBondContact NH2-O 3.34Å; R696-T699 PolarHBondContact O-N 2.81Å; R696-T699 PolarHBondContact O-OG1 3.46Å; G697-T699 PolarHBondContact O-N 3.49Å
700	C	88.3	Confident	88.7	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.185	C	C	.	.			trans	-64.4	135.7	172.7	-176.2	0	0	0	0	110.2	R586 W693 G697 P698	R586-C700 WeakPolarHBondContact CD-O 3.47Å; R586-C700 PolarHBondContact NH1-O 3.3Å; W693-C700 WeakPolarHBondContact O-CB 3.38Å; W693-C700 PolarHBondContact O-SG 3.39Å; G697-C700 WeakPolarHBondContact O-CB 3.36Å; G697-C700 PolarHBondContact O-N 3.4Å; P698-C700 VanDerWaalsContact C-N 3.26Å; P698-C700 PolarHBondContact O-N 3.22Å
701	P	91.5	Very high	88.2	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.202	C	C	.	.			trans	-62.5	171.2	172.4	21.9	-29.3	0	0	0	112.2	A662 T663 S666 V668 W693 I703	A662-P701 HydrophobicContact CB-CB 4.13Å; A662-P701 HydrophobicContact CB-CG 4.05Å; T663-P701 WeakPolarHBondContact O-CA 3.33Å; T663-P701 VanDerWaalsContact O-CB 3.28Å; T663-P701 WeakPolarHBondContact O-CB 3.01Å; S666-P701 WeakPolarHBondContact O-CB 3.45Å; V668-P701 HydrophobicContact CG2-CB 4.04Å; V668-P701 HydrophobicContact CG2-CG 4.28Å; W693-P701 HydrophobicContact CD2-CG 4.5Å; W693-P701 HydrophobicContact CG-CG 4.17Å; P701-I703 HydrophobicContact CB-CG1 4.3Å; P701-I703 HydrophobicContact CG-CD1 3.98Å; P701-I703 HydrophobicContact CG-CG1 3.91Å; P701-I703 PolarHBondContact O-N 3.4Å
702	H	92.2	Very high	87.9	Confident	2 Å²	2	30.1 Å²	30.1	1%	0.009	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	107.3	171.6	-63.4	-67.9	0	0	0	109.2	L554 G555 R586 A664 S666 L667 V668	L554-H702 PolarHBondContact O-CE1 3.4Å; L554-H702 PolarHBondContact O-NE2 2.72Å; G555-H702 WeakPolarHBondContact CA-CE1 3.26Å; G555-H702 WeakPolarHBondContact CA-NE2 3.41Å; G555-H702 PolarHBondContact N-NE2 3.14Å; R586-H702 PolarHBondContact NH1-CE1 2.88Å; R586-H702 VanDerWaalsContact NH1-CE1 3.35Å; R586-H702 PolarHBondContact NH1-NE2 3.19Å; A664-H702 PolarHBondContact O-NE2 3Å; S666-H702 PolarHBondContact O-N 2.96Å; L667-H702 CarbonylContact C-O 3.48Å; L667-H702 WeakPolarHBondContact CA-O 3.38Å; L667-H702 HydrophobicContact CD1-CB 4.19Å; V668-H702 PolarHBondContact N-O 3.22Å
703	I	93.7	Very high	87.5	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	128.3	-170.3	-46.6	179.5	0	0	0	110.1	R586 V587 K588 V668 L690 W693 P701 V705	R586-I703 PolarHBondContact O-N 2.84Å; V587-I703 CarbonylContact C-O 3.58Å; V587-I703 WeakPolarHBondContact CA-O 3.36Å; V587-I703 HydrophobicContact CG1-CB 4.35Å; V587-I703 HydrophobicContact CG2-CB 4.24Å; V587-I703 HydrophobicContact CG2-CD1 3.94Å; V587-I703 HydrophobicContact CG2-CG1 4.28Å; K588-I703 PolarHBondContact N-O 3.46Å; V668-I703 HydrophobicContact CB-CG1 4.32Å; V668-I703 HydrophobicContact CB-CG2 4.35Å; V668-I703 HydrophobicContact CG1-CG2 4.42Å; V668-I703 CarbonylContact O-C 3.56Å; V668-I703 WeakPolarHBondContact O-CA 3.47Å; L690-I703 HydrophobicContact CD2-CG2 4.31Å; W693-I703 HydrophobicContact CB-CD1 3.72Å; W693-I703 HydrophobicContact CD2-CD1 3.58Å; W693-I703 HydrophobicContact CE3-CD1 3.3Å; W693-I703 HydrophobicContact CG-CD1 3.81Å; W693-I703 HydrophobicContact CZ3-CD1 3.97Å; W693-I703 HydrophobicContact CZ3-CG2 4.5Å; P701-I703 HydrophobicContact CB-CG1 4.3Å; P701-I703 HydrophobicContact CG-CD1 3.98Å; P701-I703 HydrophobicContact CG-CG1 3.91Å; P701-I703 PolarHBondContact O-N 3.4Å; I703-V705 HydrophobicContact CG2-CG2 3.56Å
704	F	95.1	Very high	86.9	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	122.5	165.6	-64.3	-98.2	0	0	0	109.2	T578 C580 K588 I590 Y601 L602 V605 L667 V668 L669 I670	T578-F704 HydrophobicContact CG2-CE1 3.41Å; T578-F704 VanDerWaalsContact CG2-CE1 3.41Å; T578-F704 HydrophobicContact CG2-CZ 3.38Å; C580-F704 HydrophobicContact CB-CE1 4.28Å; C580-F704 HydrophobicContact CB-CE2 3.85Å; C580-F704 HydrophobicContact CB-CZ 3.4Å; C580-F704 VanDerWaalsContact CB-CZ 3.4Å; K588-F704 HydrophobicContact CB-CD1 3.66Å; K588-F704 HydrophobicContact CB-CE1 4.03Å; K588-F704 HydrophobicContact CB-CG 4.34Å; K588-F704 HydrophobicContact CG-CD1 3.76Å; K588-F704 HydrophobicContact CG-CE1 3.61Å; K588-F704 HydrophobicContact CG-CZ 4.26Å; I590-F704 HydrophobicContact CD1-CB 4.5Å; I590-F704 HydrophobicContact CD1-CD1 4.4Å; Y601-F704 HydrophobicContact CE1-CD1 4.25Å; Y601-F704 HydrophobicContact CE1-CE1 4.5Å; L602-F704 HydrophobicContact CD2-CB 3.39Å; L602-F704 HydrophobicContact CD2-CG 4.44Å; V605-F704 HydrophobicContact CG1-CD2 4.32Å; V605-F704 HydrophobicContact CG1-CE2 3.86Å; V605-F704 HydrophobicContact CG1-CZ 3.99Å; L667-F704 HydrophobicContact CD1-CD2 3.74Å; L667-F704 HydrophobicContact CD1-CE2 3.68Å; V668-F704 PolarHBondContact O-N 3.48Å; L669-F704 WeakPolarHBondContact CA-O 3.49Å; L669-F704 HydrophobicContact CD2-CB 3.87Å; L669-F704 HydrophobicContact CD2-CD2 3.84Å; L669-F704 HydrophobicContact CD2-CG 4.16Å; I670-F704 PolarHBondContact N-O 3.29Å
705	V	94.6	Very high	86.6	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	117.1	179.9	-178.6	0	0	0	0	109.4	K588 V589 I590 I670 L686 L690 I703	K588-V705 PolarHBondContact O-N 3.31Å; V589-V705 CarbonylContact C-O 3.57Å; V589-V705 WeakPolarHBondContact CA-O 3.2Å; I590-V705 PolarHBondContact N-O 2.91Å; I670-V705 HydrophobicContact CB-CG1 4.39Å; I670-V705 HydrophobicContact CB-CG2 4.1Å; I670-V705 HydrophobicContact CD1-CG2 4.2Å; I670-V705 HydrophobicContact CG2-CG1 4.33Å; I670-V705 CarbonylContact O-C 3.56Å; I670-V705 VanDerWaalsContact O-CA 3.27Å; I670-V705 WeakPolarHBondContact O-CA 3.3Å; L686-V705 HydrophobicContact CD1-CG1 4.07Å; L690-V705 HydrophobicContact CD2-CG2 3.8Å; I703-V705 HydrophobicContact CG2-CG2 3.56Å
706	A	92.4	Very high	86.2	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	129	163.4	0	0	0	0	0	109.7	I590 K598 L602 I670 D671 E672	I590-A706 WeakPolarHBondContact O-CA 3.48Å; K598-A706 HydrophobicContact CB-CB 3.9Å; K598-A706 HydrophobicContact CD-CB 4.34Å; L602-A706 HydrophobicContact CD1-CB 3.56Å; L602-A706 HydrophobicContact CG-CB 4.2Å; I670-A706 PolarHBondContact O-N 2.74Å; D671-A706 WeakPolarHBondContact OD1-CB 3.4Å; E672-A706 PolarHBondContact N-O 3.31Å
707	T	89.8	Confident	86	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	143.5	178.2	-174.2	0	0	0	0	112.5	V589 I590 T591 L686 F709 L712	V589-T707 HydrophobicContact CG1-CG2 4.09Å; I590-T707 PolarHBondContact O-N 3.25Å; T591-T707 HydrophobicContact CG2-CG2 4.39Å; L686-T707 HydrophobicContact CD2-CG2 4.44Å; T707-F709 WeakPolarHBondContact OG1-CB 3.16Å; T707-F709 PolarHBondContact OG1-N 2.86Å; T707-L712 HydrophobicContact CG2-CD2 4.35Å
708	N	84	Confident	86	Confident	54 Å²	54	36.3 Å²	36.3	29%	0.289	20%	0.196	S	C	.	.			trans	-86.5	-3.9	167.6	-70	-36.9	0	0	0	113.4	G592 N594 K598 E672 L710	G592-N708 PolarHBondContact O-OD1 3.42Å; G592-N708 VanDerWaalsContact O-OD1 3.08Å; N594-N708 PolarHBondContact OD1-ND2 2.67Å; N594-N708 PolarHBondContact OD1-OD1 3.05Å; K598-N708 PolarHBondContact NZ-OD1 3.3Å; E672-N708 VanDerWaalsContact CD-ND2 3.29Å; E672-N708 PolarHBondContact OE1-N 3.35Å; E672-N708 VanDerWaalsContact OE1-N 3.12Å; E672-N708 PolarHBondContact OE1-ND2 3.12Å; E672-N708 VanDerWaalsContact OE1-ND2 3.1Å; E672-N708 PolarHBondContact OE1-OD1 2.91Å; E672-N708 WeakPolarHBondContact OE2-CB 3.44Å; E672-N708 PolarHBondContact OE2-N 3.39Å; E672-N708 PolarHBondContact OE2-ND2 3.33Å; N708-L710 VanDerWaalsContact C-N 3.3Å; N708-L710 VanDerWaalsContact O-CD1 3.26Å; N708-L710 WeakPolarHBondContact O-CD1 3.44Å; N708-L710 PolarHBondContact O-N 2.65Å
709	F	83.6	Confident	85.9	Confident	33 Å²	33	34.6 Å²	34.6	15%	0.145	19%	0.185	C	C	.	.			trans	-77.1	78.7	178.1	-64.8	-46.8	0	0	0	111.7	L683 L686 T707 S711 L712	L683-F709 HydrophobicContact CB-CD2 4.39Å; L683-F709 HydrophobicContact CB-CG 4.46Å; L683-F709 HydrophobicContact CD1-CB 3.92Å; L683-F709 HydrophobicContact CD1-CD2 4.4Å; L683-F709 HydrophobicContact CD1-CG 4.28Å; L686-F709 HydrophobicContact CD2-CD2 4.1Å; T707-F709 WeakPolarHBondContact OG1-CB 3.16Å; T707-F709 PolarHBondContact OG1-N 2.86Å; F709-S711 PolarHBondContact O-N 2.92Å; F709-S711 VanDerWaalsContact O-N 3.12Å; F709-L712 HydrophobicContact CB-CB 4.47Å; F709-L712 WeakPolarHBondContact O-CB 3.48Å; F709-L712 PolarHBondContact O-N 3.27Å
710	L	80.7	Confident	85.3	Confident	20 Å²	20	37.9 Å²	37.9	11%	0.105	20%	0.196	C	C	.	.	H	α-helix	trans	-55.8	-29.6	173.1	-82.6	68.5	0	0	0	111.7	N708 L712 V713 Q714 A749	N708-L710 VanDerWaalsContact C-N 3.3Å; N708-L710 VanDerWaalsContact O-CD1 3.26Å; N708-L710 WeakPolarHBondContact O-CD1 3.44Å; N708-L710 PolarHBondContact O-N 2.65Å; L710-L712 PolarHBondContact O-N 2.71Å; L710-V713 PolarHBondContact O-N 3.2Å; L710-Q714 WeakPolarHBondContact O-CG 3.46Å; L710-Q714 PolarHBondContact O-N 3.37Å; L710-A749 HydrophobicContact CD1-CB 4.48Å; L710-A749 HydrophobicContact CD2-CB 4.29Å; L710-A749 VanDerWaalsContact CD2-O 3.28Å; L710-A749 WeakPolarHBondContact CD2-O 3.5Å; L710-A749 HydrophobicContact CG-CB 4.43Å
711	S	82.5	Confident	84.7	Confident	50 Å²	50	39.4 Å²	39.4	35%	0.35	21%	0.212	S	C	.	.	H	α-helix	trans	-57.7	-27.8	174.8	-53.8	0	0	0	0	113.5	F709 V713 L715	F709-S711 PolarHBondContact O-N 2.92Å; F709-S711 VanDerWaalsContact O-N 3.12Å; S711-V713 PolarHBondContact O-N 3.03Å; S711-L715 WeakPolarHBondContact O-CB 3.34Å; S711-L715 WeakPolarHBondContact O-CG 3.42Å; S711-L715 PolarHBondContact O-N 3.34Å
712	L	84.4	Confident	84	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-58	-39.5	174	-173	74.1	0	0	0	111.3	V589 L683 L686 A687 L690 T707 F709 L710 L717 L718	V589-L712 HydrophobicContact CG1-CD2 4.21Å; L683-L712 HydrophobicContact CD1-CB 3.63Å; L683-L712 HydrophobicContact CD1-CD1 3.7Å; L683-L712 HydrophobicContact CD1-CG 4.27Å; L686-L712 HydrophobicContact CD2-CD2 4.17Å; A687-L712 HydrophobicContact CB-CD1 3.71Å; L690-L712 HydrophobicContact CD1-CD2 4.18Å; T707-L712 HydrophobicContact CG2-CD2 4.35Å; F709-L712 HydrophobicContact CB-CB 4.47Å; F709-L712 WeakPolarHBondContact O-CB 3.48Å; F709-L712 PolarHBondContact O-N 3.27Å; L710-L712 PolarHBondContact O-N 2.71Å; L712-L717 HydrophobicContact CD1-CB 4.07Å; L712-L717 HydrophobicContact CD1-CD1 4.28Å; L712-L717 PolarHBondContact O-N 2.95Å; L712-L717 VanDerWaalsContact O-N 3.12Å; L712-L718 HydrophobicContact CD1-CD2 4.47Å; L712-L718 HydrophobicContact CD1-CG 4.36Å; L712-L718 HydrophobicContact CD2-CD1 4.1Å; L712-L718 HydrophobicContact CG-CD1 4.34Å; L712-L718 HydrophobicContact CG-CG 4.34Å
713	V	82.4	Confident	83.7	Confident	21 Å²	21	46.8 Å²	46.8	13%	0.127	26%	0.257	C	S	.	.	H	α-helix	trans	-86.8	-44.9	-178.8	-167.5	0	0	0	0	111	T591 L710 S711 L715 Q716 Y726 V748	T591-V713 HydrophobicContact CG2-CG2 4.25Å; L710-V713 PolarHBondContact O-N 3.2Å; S711-V713 PolarHBondContact O-N 3.03Å; V713-L715 PolarHBondContact O-N 3.29Å; V713-Q716 PolarHBondContact O-N 3.07Å; V713-Y726 HydrophobicContact CB-CE1 4.32Å; V713-Y726 HydrophobicContact CG1-CD1 4.01Å; V713-Y726 HydrophobicContact CG1-CE1 3.94Å; V713-Y726 HydrophobicContact CG1-CG 4.4Å; V713-Y726 HydrophobicContact CG2-CD1 3.76Å; V713-Y726 HydrophobicContact CG2-CE1 3.69Å; V713-V748 HydrophobicContact CB-CG1 3.95Å; V713-V748 HydrophobicContact CG1-CB 4.36Å; V713-V748 HydrophobicContact CG1-CG1 3.75Å; V713-V748 HydrophobicContact CG1-CG2 3.64Å; V713-V748 HydrophobicContact CG2-CG1 4.13Å
714	Q	80.1	Confident	83.4	Confident	128 Å²	128	47.7 Å²	47.7	60%	0.598	26%	0.263	S	S	*	.	H	α-helix	trans	-62.4	-40.4	-179	-68.8	172.7	-15.9	0	0	112.7	L710 Q716	L710-Q714 WeakPolarHBondContact O-CG 3.46Å; L710-Q714 PolarHBondContact O-N 3.37Å; Q714-Q716 PolarHBondContact O-N 3.23Å
715	L	81.6	Confident	83.2	Confident	113 Å²	113	49.3 Å²	49.3	59%	0.592	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	3.4	177	-59.9	175	0	0	0	112.8	S711 V713 L717	S711-L715 WeakPolarHBondContact O-CB 3.34Å; S711-L715 WeakPolarHBondContact O-CG 3.42Å; S711-L715 PolarHBondContact O-N 3.34Å; V713-L715 PolarHBondContact O-N 3.29Å; L715-L717 HydrophobicContact CB-CD2 3.97Å; L715-L717 HydrophobicContact CB-CG 3.9Å; L715-L717 PolarHBondContact O-N 3.13Å; L715-L717 VanDerWaalsContact O-N 3.16Å
716	Q	79.8	Confident	83	Confident	130 Å²	130	50.9 Å²	50.9	61%	0.607	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	44.1	-179.6	-61.2	176.6	-5.7	0	0	112.3	V713 Q714 L718	V713-Q716 PolarHBondContact O-N 3.07Å; Q714-Q716 PolarHBondContact O-N 3.23Å; Q716-L718 PolarHBondContact O-N 2.93Å
717	L	81.8	Confident	83	Confident	40 Å²	40	51.5 Å²	51.5	21%	0.209	28%	0.28	C	S	.	.			trans	-69.3	-14.9	-177.2	-62.9	-177.6	0	0	0	112.1	L683 A687 R691 L712 L715	L683-L717 HydrophobicContact CD1-CD1 3.89Å; L683-L717 HydrophobicContact CD2-CD1 3.9Å; L683-L717 HydrophobicContact CG-CD1 3.75Å; A687-L717 HydrophobicContact CB-CB 4.04Å; A687-L717 HydrophobicContact CB-CD1 4.14Å; R691-L717 PolarHBondContact NE-O 2.99Å; R691-L717 PolarHBondContact NH2-O 2.9Å; L712-L717 HydrophobicContact CD1-CB 4.07Å; L712-L717 HydrophobicContact CD1-CD1 4.28Å; L712-L717 PolarHBondContact O-N 2.95Å; L712-L717 VanDerWaalsContact O-N 3.12Å; L715-L717 HydrophobicContact CB-CD2 3.97Å; L715-L717 HydrophobicContact CB-CG 3.9Å; L715-L717 PolarHBondContact O-N 3.13Å; L715-L717 VanDerWaalsContact O-N 3.16Å
718	L	83.9	Confident	83.1	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.01	28%	0.284	C	S	.	.	S	Bend	trans	-100.6	141.4	174	-57.5	177.9	0	0	0	110.1	V589 L690 R691 L694 L712 Q716 Q720 V724 Y726	V589-L718 HydrophobicContact CG2-CD1 3.91Å; L690-L718 HydrophobicContact CB-CD2 3.62Å; L690-L718 HydrophobicContact CD1-CD1 3.93Å; L690-L718 HydrophobicContact CD1-CD2 4.03Å; R691-L718 HydrophobicContact CG-CD2 4.48Å; L694-L718 HydrophobicContact CD1-CD2 4.34Å; L712-L718 HydrophobicContact CD1-CD2 4.47Å; L712-L718 HydrophobicContact CD1-CG 4.36Å; L712-L718 HydrophobicContact CD2-CD1 4.1Å; L712-L718 HydrophobicContact CG-CD1 4.34Å; L712-L718 HydrophobicContact CG-CG 4.34Å; Q716-L718 PolarHBondContact O-N 2.93Å; L718-Q720 PolarHBondContact O-N 3.35Å; L718-V724 HydrophobicContact CD1-CG1 4.28Å; L718-Y726 HydrophobicContact CD1-CE1 4.4Å
719	P	77.7	Confident	83.4	Confident	66 Å²	66	49.8 Å²	49.8	43%	0.429	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-60.5	134.2	175.7	26	-33.2	0	0	0	110.2	L694 G721	L694-P719 HydrophobicContact CD1-CG 4.03Å; P719-G721 PolarHBondContact O-N 3.41Å
720	Q	71.2	Confident	83.6	Confident	136 Å²	136	52.4 Å²	52.4	64%	0.636	28%	0.284	S	S	*	.	P	Polyproline II helix	trans	-69.3	116.1	170.6	-65.4	-65	-31.4	0	0	108.1	L718	L718-Q720 PolarHBondContact O-N 3.35Å
721	G	74.7	Confident	83.8	Confident	33 Å²	33	53.6 Å²	53.6	34%	0.34	29%	0.292	S	S	.	.	S	Bend	trans	-167.4	163.2	-179.1	0	0	0	0	0	111.5	P719 L723 V724	P719-G721 PolarHBondContact O-N 3.41Å; G721-L723 PolarHBondContact O-N 2.58Å; G721-V724 PolarHBondContact O-N 3.24Å
722	P	78.6	Confident	83.9	Confident	114 Å²	114	54 Å²	54	74%	0.74	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-11.9	-175	28.4	-36.2	0	0	0	113.2	G585	G585-P722 WeakPolarHBondContact CA-O 3.31Å; G585-P722 PolarHBondContact N-O 2.86Å
723	L	84.3	Confident	83.6	Confident	42 Å²	42	59.4 Å²	59.4	22%	0.22	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-22.4	179.7	-65.7	177.5	0	0	0	113.8	G585 R586 V587 L694 G721	G585-L723 CarbonylContact C-O 3.59Å; G585-L723 WeakPolarHBondContact CA-O 3.46Å; R586-L723 HydrophobicContact CG-CD2 4.25Å; R586-L723 PolarHBondContact N-O 3.35Å; V587-L723 PolarHBondContact N-O 2.95Å; L694-L723 HydrophobicContact CD2-CB 3.87Å; L694-L723 HydrophobicContact CD2-CD1 4.48Å; G721-L723 PolarHBondContact O-N 2.58Å
724	V	88.6	Confident	83.3	Confident	20 Å²	20	64.1 Å²	64.1	12%	0.121	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	128.3	-175.4	-176.6	0	0	0	0	109.8	V587 V589 L694 L718 G721 Y726	V587-V724 HydrophobicContact CB-CG2 4.37Å; V587-V724 WeakPolarHBondContact O-CA 3.29Å; V589-V724 HydrophobicContact CG2-CG1 4.33Å; L694-V724 HydrophobicContact CD1-CG2 3.52Å; L694-V724 HydrophobicContact CD2-CG2 3.49Å; L694-V724 VanDerWaalsContact CD2-CG2 3.49Å; L694-V724 HydrophobicContact CG-CG2 4.16Å; L718-V724 HydrophobicContact CD1-CG1 4.28Å; G721-V724 PolarHBondContact O-N 3.24Å; V724-Y726 HydrophobicContact CG1-CE1 4.25Å; V724-Y726 HydrophobicContact CG1-CE2 4.08Å
725	Q	90.1	Very high	83	Confident	34 Å²	34	61.2 Å²	61.2	16%	0.159	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	136.5	170.5	-167.3	-178.2	23	0	0	110.3	V587 K588 V589 L727 E746	V587-Q725 PolarHBondContact O-N 3.01Å; K588-Q725 WeakPolarHBondContact CA-O 3.43Å; K588-Q725 HydrophobicContact CD-CB 3.85Å; V589-Q725 PolarHBondContact N-O 3.14Å; Q725-L727 HydrophobicContact CG-CD2 4.2Å; Q725-E746 PolarHBondContact NE2-OE1 3.03Å
726	Y	91.1	Very high	82.5	Confident	32 Å²	32	62.6 Å²	62.6	13%	0.125	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	126.6	174.5	-60.2	-78	0	0	0	110.2	V589 V713 L718 V724 G747 V748	V589-Y726 HydrophobicContact CB-CD1 3.83Å; V589-Y726 HydrophobicContact CB-CE1 4.11Å; V589-Y726 HydrophobicContact CG1-CD1 4.14Å; V589-Y726 HydrophobicContact CG1-CE1 4.32Å; V589-Y726 HydrophobicContact CG2-CD1 4.47Å; V589-Y726 HydrophobicContact CG2-CE1 4.31Å; V589-Y726 WeakPolarHBondContact O-CA 3.46Å; V713-Y726 HydrophobicContact CB-CE1 4.32Å; V713-Y726 HydrophobicContact CG1-CD1 4.01Å; V713-Y726 HydrophobicContact CG1-CE1 3.94Å; V713-Y726 HydrophobicContact CG1-CG 4.4Å; V713-Y726 HydrophobicContact CG2-CD1 3.76Å; V713-Y726 HydrophobicContact CG2-CE1 3.69Å; L718-Y726 HydrophobicContact CD1-CE1 4.4Å; V724-Y726 HydrophobicContact CG1-CE1 4.25Å; V724-Y726 HydrophobicContact CG1-CE2 4.08Å; Y726-G747 CarbonylContact C-O 3.18Å; Y726-G747 VanDerWaalsContact C-O 3.25Å; Y726-G747 PolarHBondContact O-N 3.45Å; Y726-G747 VanDerWaalsContact O-N 3.08Å; Y726-V748 HydrophobicContact CG-CG2 4.36Å
727	L	92.1	Very high	82.2	Confident	13 Å²	13	61.1 Å²	61.1	7%	0.068	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	152.8	178.1	-58.4	177.2	0	0	0	108.9	K588 V589 I590 T591 Q725 V744 C745 E746 G747	K588-L727 HydrophobicContact CB-CD1 4.16Å; K588-L727 HydrophobicContact CD-CD1 4.44Å; V589-L727 PolarHBondContact O-N 3.45Å; I590-L727 CarbonylContact C-O 3.25Å; I590-L727 WeakPolarHBondContact CA-O 3.33Å; I590-L727 HydrophobicContact CG1-CB 4.08Å; I590-L727 HydrophobicContact CG1-CD1 4.2Å; T591-L727 PolarHBondContact N-O 3.1Å; T591-L727 PolarHBondContact OG1-O 3.37Å; Q725-L727 HydrophobicContact CG-CD2 4.2Å; L727-V744 HydrophobicContact CB-CG1 3.87Å; L727-V744 HydrophobicContact CD1-CG1 4Å; L727-V744 HydrophobicContact CD2-CG1 4.38Å; L727-V744 HydrophobicContact CG-CG1 4.3Å; L727-C745 CarbonylContact C-O 3.58Å; L727-C745 WeakPolarHBondContact CA-O 3.12Å; L727-E746 HydrophobicContact CD2-CG 4.08Å; L727-G747 CarbonylContact C-O 3.58Å; L727-G747 PolarHBondContact N-O 2.92Å
728	T	91.3	Very high	82	Confident	15 Å²	15	59.4 Å²	59.4	9%	0.092	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	152.8	173.2	-163.8	0	0	0	0	112.5	T591 C745 A749	T591-T728 CarbonylContact O-C 3.52Å; T591-T728 WeakPolarHBondContact O-CA 3.49Å; T591-T728 WeakPolarHBondContact O-CB 3.49Å; T591-T728 PolarHBondContact O-OG1 2.85Å; T728-C745 VanDerWaalsContact CG2-SG 3.58Å; T728-C745 PolarHBondContact N-O 3.41Å; T728-C745 PolarHBondContact O-N 2.84Å; T728-C745 PolarHBondContact O-SG 3.34Å; T728-A749 PolarHBondContact OG1-N 3.34Å
729	M	90.5	Very high	81.9	Confident	4 Å²	4	62.3 Å²	62.3	2%	0.02	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	127.9	172.3	-62.2	-56.8	-65	0	0	109	I590 T591 S596 K598 T731 V744	I590-M729 HydrophobicContact CG2-SD 4.48Å; T591-M729 PolarHBondContact O-N 3.47Å; T591-M729 VanDerWaalsContact O-N 3.12Å; S596-M729 WeakPolarHBondContact O-CE 3.21Å; S596-M729 WeakPolarHBondContact OG-CB 3.24Å; S596-M729 VanDerWaalsContact OG-CG 3.28Å; S596-M729 WeakPolarHBondContact OG-CG 3.43Å; K598-M729 HydrophobicContact CG-CG 3.67Å; M729-T731 PolarHBondContact O-N 2.94Å; M729-V744 HydrophobicContact CE-CG2 4.17Å; M729-V744 HydrophobicContact SD-CB 4.45Å; M729-V744 HydrophobicContact SD-CG2 3.45Å; M729-V744 WeakPolarHBondContact SD-CG2 3.44Å
730	E	88.9	Confident	82.3	Confident	88 Å²	88	60.4 Å²	60.4	41%	0.411	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	128	-178.7	-166.7	174.1	-171.4	0	0	111.1	F741 Q743	E730-F741 HydrophobicContact CB-CB 4.28Å; E730-F741 HydrophobicContact CB-CD2 4.29Å; E730-F741 HydrophobicContact CG-CD2 3.82Å; E730-F741 HydrophobicContact CG-CE2 4.45Å; E730-F741 HydrophobicContact CG-CG 4.47Å; E730-F741 PolarHBondContact O-N 2.65Å; E730-Q743 HydrophobicContact CB-CB 4.4Å; E730-Q743 PolarHBondContact N-O 2.91Å
731	T	84.8	Confident	83.2	Confident	44 Å²	44	58.3 Å²	58.3	27%	0.27	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	139.9	-179.3	62	0	0	0	0	110.1	P593 M729 V739 F740	P593-T731 HydrophobicContact CG-CG2 4.02Å; M729-T731 PolarHBondContact O-N 2.94Å; T731-V739 WeakPolarHBondContact CA-O 3.31Å; T731-F740 HydrophobicContact CG2-CD1 3.73Å; T731-F740 HydrophobicContact CG2-CE1 4.13Å
732	C	83.9	Confident	83.8	Confident	58 Å²	58	61.9 Å²	61.9	39%	0.392	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	139.4	170.6	-178.8	0	0	0	0	109.8	V739 F741	C732-V739 PolarHBondContact N-O 3.4Å; C732-V739 PolarHBondContact O-N 2.91Å; C732-F741 HydrophobicContact CB-CE2 3.46Å; C732-F741 VanDerWaalsContact CB-CE2 3.46Å; C732-F741 HydrophobicContact CB-CZ 3.84Å
733	E	77.9	Confident	84.5	Confident	114 Å²	114	59.1 Å²	59.1	53%	0.533	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	113.4	169.3	-65.8	-174.7	143.9	0	0	108.1	L738 H753	E733-L738 HydrophobicContact CG-CD1 3.91Å; E733-H753 IonicContact OE1-CE1 2.71Å; E733-H753 PolarHBondContact OE1-CE1 2.97Å; E733-H753 IonicContact OE1-ND1 3.64Å; E733-H753 PolarHBondContact OE1-ND1 3.29Å
734	D	77.1	Confident	84.8	Confident	121 Å²	121	58.1 Å²	58.1	65%	0.647	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.3	93.9	172	-170.2	19.9	0	0	0	108.6	N736 D737 V739	D734-N736 PolarHBondContact O-N 2.73Å; D734-N736 VanDerWaalsContact O-N 3.12Å; D734-D737 PolarHBondContact N-O 2.99Å; D734-D737 PolarHBondContact O-N 3.21Å; D734-V739 HydrophobicContact CB-CG2 4.44Å
735	G	73.6	Confident	84.9	Confident	66 Å²	66	59.2 Å²	59.2	68%	0.68	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	-111.6	-174	0	0	0	0	0	112.6
736	N	70.2	Confident	84.8	Confident	142 Å²	142	64 Å²	64	76%	0.759	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	0.2	177.1	-73.8	-18.1	0	0	0	112.9	D734 H756	D734-N736 PolarHBondContact O-N 2.73Å; D734-N736 VanDerWaalsContact O-N 3.12Å; N736-H756 PolarHBondContact O-CD2 2.72Å; N736-H756 VanDerWaalsContact O-CD2 3.28Å
737	D	73.1	Confident	84.6	Confident	100 Å²	100	63.9 Å²	63.9	54%	0.535	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	137.7	-179.1	-71.8	-41.6	0	0	0	110.9	D734	D734-D737 PolarHBondContact N-O 2.99Å; D734-D737 PolarHBondContact O-N 3.21Å
738	L	77.5	Confident	84.1	Confident	4 Å²	4	66 Å²	66	2%	0.021	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	116.7	173.8	-172.8	73.4	0	0	0	109	P593 E733 F740 H753 H756 Q760	P593-L738 HydrophobicContact CB-CD2 4.32Å; P593-L738 HydrophobicContact CG-CD2 4.19Å; E733-L738 HydrophobicContact CG-CD1 3.91Å; L738-F740 HydrophobicContact CD2-CD1 4.39Å; L738-F740 HydrophobicContact CD2-CE1 3.41Å; L738-F740 VanDerWaalsContact CD2-CE1 3.41Å; L738-F740 HydrophobicContact CD2-CZ 3.66Å; L738-F740 HydrophobicContact CG-CE1 3.94Å; L738-F740 HydrophobicContact CG-CZ 4.28Å; L738-H753 HydrophobicContact CD1-CB 4.46Å; L738-H753 HydrophobicContact CD2-CB 3.43Å; L738-H753 VanDerWaalsContact CD2-CB 3.43Å; L738-H756 HydrophobicContact CB-CB 3.96Å; L738-Q760 PolarHBondContact O-NE2 2.66Å
739	V	83.5	Confident	83.5	Confident	63 Å²	63	65.9 Å²	65.9	38%	0.382	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	126.6	178.1	-176.3	0	0	0	0	109.4	T731 C732 D734	T731-V739 WeakPolarHBondContact CA-O 3.31Å; C732-V739 PolarHBondContact N-O 3.4Å; C732-V739 PolarHBondContact O-N 2.91Å; D734-V739 HydrophobicContact CB-CG2 4.44Å
740	F	85.8	Confident	82.6	Confident	26 Å²	26	75.4 Å²	75.4	11%	0.114	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	121.7	175.7	-56.8	-59.6	0	0	0	110	P593 T731 L738 Y742	P593-F740 HydrophobicContact CB-CE1 3.87Å; P593-F740 HydrophobicContact CB-CZ 4.42Å; P593-F740 HydrophobicContact CG-CE1 4.22Å; T731-F740 HydrophobicContact CG2-CD1 3.73Å; T731-F740 HydrophobicContact CG2-CE1 4.13Å; L738-F740 HydrophobicContact CD2-CD1 4.39Å; L738-F740 HydrophobicContact CD2-CE1 3.41Å; L738-F740 VanDerWaalsContact CD2-CE1 3.41Å; L738-F740 HydrophobicContact CD2-CZ 3.66Å; L738-F740 HydrophobicContact CG-CE1 3.94Å; L738-F740 HydrophobicContact CG-CZ 4.28Å; F740-Y742 VanDerWaalsContact C-N 3.33Å; F740-Y742 HydrophobicContact CB-CD1 4.41Å; F740-Y742 HydrophobicContact CB-CD2 4.41Å; F740-Y742 HydrophobicContact CB-CE1 4.01Å; F740-Y742 HydrophobicContact CB-CE2 4.01Å; F740-Y742 WeakPolarHBondContact O-CD2 3.41Å; F740-Y742 WeakPolarHBondContact O-CE2 3.45Å
741	F	88.6	Confident	81.6	Confident	91 Å²	91	73 Å²	73	40%	0.399	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-12.7	174.4	-66.2	-79.8	0	0	0	113	E730 C732 Q743	E730-F741 HydrophobicContact CB-CB 4.28Å; E730-F741 HydrophobicContact CB-CD2 4.29Å; E730-F741 HydrophobicContact CG-CD2 3.82Å; E730-F741 HydrophobicContact CG-CE2 4.45Å; E730-F741 HydrophobicContact CG-CG 4.47Å; E730-F741 PolarHBondContact O-N 2.65Å; C732-F741 HydrophobicContact CB-CE2 3.46Å; C732-F741 VanDerWaalsContact CB-CE2 3.46Å; C732-F741 HydrophobicContact CB-CZ 3.84Å; F741-Q743 HydrophobicContact CB-CB 4.46Å; F741-Q743 PolarHBondContact O-N 3.2Å; F741-Q743 VanDerWaalsContact O-N 3.09Å
742	Y	89.2	Confident	80.7	Confident	109 Å²	109	75.1 Å²	75.1	43%	0.427	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	58.1	18.1	-175.7	-53.9	-76.7	0	0	0	114.3	N576 S595 S596 F740	N576-Y742 PolarHBondContact ND2-O 3.41Å; S595-Y742 WeakPolarHBondContact O-CE1 3.41Å; S596-Y742 WeakPolarHBondContact O-CD1 3.33Å; F740-Y742 VanDerWaalsContact C-N 3.33Å; F740-Y742 HydrophobicContact CB-CD1 4.41Å; F740-Y742 HydrophobicContact CB-CD2 4.41Å; F740-Y742 HydrophobicContact CB-CE1 4.01Å; F740-Y742 HydrophobicContact CB-CE2 4.01Å; F740-Y742 WeakPolarHBondContact O-CD2 3.41Å; F740-Y742 WeakPolarHBondContact O-CE2 3.45Å
743	Q	91.4	Very high	80	Confident	55 Å²	55	73.5 Å²	73.5	26%	0.257	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	137.2	175.4	-169.6	67.2	29.3	0	0	110.3	V574 P575 N576 E730 F741	V574-Q743 HydrophobicContact CG1-CB 4.48Å; P575-Q743 PolarHBondContact O-OE1 2.69Å; N576-Q743 WeakPolarHBondContact OD1-CA 3.45Å; E730-Q743 HydrophobicContact CB-CB 4.4Å; E730-Q743 PolarHBondContact N-O 2.91Å; F741-Q743 HydrophobicContact CB-CB 4.46Å; F741-Q743 PolarHBondContact O-N 3.2Å; F741-Q743 VanDerWaalsContact O-N 3.09Å
744	V	91.5	Very high	79.7	Confident	21 Å²	21	71.3 Å²	71.3	13%	0.127	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	129.5	170	177.9	0	0	0	0	109.3	N576 Y601 L727 M729	N576-V744 PolarHBondContact OD1-N 3.41Å; Y601-V744 HydrophobicContact CD1-CG2 4.23Å; Y601-V744 HydrophobicContact CD2-CG2 3.62Å; Y601-V744 HydrophobicContact CE1-CG2 4.37Å; Y601-V744 HydrophobicContact CE2-CB 4.48Å; Y601-V744 HydrophobicContact CE2-CG2 3.78Å; Y601-V744 HydrophobicContact CG-CG2 3.84Å; L727-V744 HydrophobicContact CB-CG1 3.87Å; L727-V744 HydrophobicContact CD1-CG1 4Å; L727-V744 HydrophobicContact CD2-CG1 4.38Å; L727-V744 HydrophobicContact CG-CG1 4.3Å; M729-V744 HydrophobicContact CE-CG2 4.17Å; M729-V744 HydrophobicContact SD-CB 4.45Å; M729-V744 HydrophobicContact SD-CG2 3.45Å; M729-V744 WeakPolarHBondContact SD-CG2 3.44Å
745	C	90.7	Very high	79.4	Confident	44 Å²	44	66.8 Å²	66.8	30%	0.297	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	160.6	172.5	62.7	0	0	0	0	111.4	L727 T728	L727-C745 CarbonylContact C-O 3.58Å; L727-C745 WeakPolarHBondContact CA-O 3.12Å; T728-C745 VanDerWaalsContact CG2-SG 3.58Å; T728-C745 PolarHBondContact N-O 3.41Å; T728-C745 PolarHBondContact O-N 2.84Å; T728-C745 PolarHBondContact O-SG 3.34Å
746	E	87.9	Confident	79.4	Confident	135 Å²	135	65.2 Å²	65.2	63%	0.631	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.1	133.1	174.8	-66.1	-171.6	175.8	0	0	110.3	Q725 L727	Q725-E746 PolarHBondContact NE2-OE1 3.03Å; L727-E746 HydrophobicContact CD2-CG 4.08Å
747	G	86.4	Confident	79.7	Confident	29 Å²	29	60.1 Å²	60.1	30%	0.299	33%	0.332	S	S	.	.	S	Bend	trans	141	-166.1	179.4	0	0	0	0	0	113.7	Y726 L727	Y726-G747 CarbonylContact C-O 3.18Å; Y726-G747 VanDerWaalsContact C-O 3.25Å; Y726-G747 PolarHBondContact O-N 3.45Å; Y726-G747 VanDerWaalsContact O-N 3.08Å; L727-G747 CarbonylContact C-O 3.58Å; L727-G747 PolarHBondContact N-O 2.92Å
748	V	82.7	Confident	79.9	Confident	58 Å²	58	56.5 Å²	56.5	35%	0.352	32%	0.316	S	S	.	.			trans	-131.2	137.4	-176	-172	0	0	0	0	108.2	V713 Y726 K750	V713-V748 HydrophobicContact CB-CG1 3.95Å; V713-V748 HydrophobicContact CG1-CB 4.36Å; V713-V748 HydrophobicContact CG1-CG1 3.75Å; V713-V748 HydrophobicContact CG1-CG2 3.64Å; V713-V748 HydrophobicContact CG2-CG1 4.13Å; Y726-V748 HydrophobicContact CG-CG2 4.36Å; V748-K750 PolarHBondContact O-N 3.48Å
749	A	78.4	Confident	80	Confident	12 Å²	12	58.3 Å²	58.3	10%	0.099	33%	0.331	C	S	.	.			trans	-58.8	131.2	174.4	0	0	0	0	0	110.8	T591 L710 T728	T591-A749 PolarHBondContact OG1-N 3.09Å; T591-A749 VanDerWaalsContact OG1-N 3.08Å; L710-A749 HydrophobicContact CD1-CB 4.48Å; L710-A749 HydrophobicContact CD2-CB 4.29Å; L710-A749 VanDerWaalsContact CD2-O 3.28Å; L710-A749 WeakPolarHBondContact CD2-O 3.5Å; L710-A749 HydrophobicContact CG-CB 4.43Å; T728-A749 PolarHBondContact OG1-N 3.34Å
750	K	71.3	Confident	79.6	Confident	204 Å²	204	59.8 Å²	59.8	89%	0.887	33%	0.334	S	S	*	.			trans	-74.8	-36.7	-176.5	-65.3	179.8	-177.2	172.7	0	112.8	V748	V748-K750 PolarHBondContact O-N 3.48Å
751	A	67.8	Low	79.4	Confident	37 Å²	37	62.5 Å²	62.5	31%	0.306	36%	0.361	S	S	.	.			trans	-154.4	163.9	-178.5	0	0	0	0	0	112.1	H753	A751-H753 PolarHBondContact O-CD2 3.2Å
752	S	66.2	Low	79.1	Confident	88 Å²	88	61.1 Å²	61.1	62%	0.615	37%	0.373	S	S	*	.			trans	-86.9	120	168.4	52	0	0	0	0	109.9	A754	S752-A754 VanDerWaalsContact C-N 3.3Å; S752-A754 PolarHBondContact O-N 3.23Å
753	H	69.1	Low	78.9	Confident	25 Å²	25	59.9 Å²	59.9	12%	0.116	37%	0.374	C	S	.	.			trans	-95.5	35	-179.1	-58.7	-89.5	0	0	0	112.4	E733 L738 A751 S755 H756 T757	E733-H753 IonicContact OE1-CE1 2.71Å; E733-H753 PolarHBondContact OE1-CE1 2.97Å; E733-H753 IonicContact OE1-ND1 3.64Å; E733-H753 PolarHBondContact OE1-ND1 3.29Å; L738-H753 HydrophobicContact CD1-CB 4.46Å; L738-H753 HydrophobicContact CD2-CB 3.43Å; L738-H753 VanDerWaalsContact CD2-CB 3.43Å; A751-H753 PolarHBondContact O-CD2 3.2Å; H753-S755 PolarHBondContact O-N 3.44Å; H753-S755 VanDerWaalsContact O-N 3.14Å; H753-H756 HydrophobicContact CB-CB 4.29Å; H753-H756 AromaticContact ND1-CE1 3.95Å; H753-H756 AromaticContact ND1-ND1 3.81Å; H753-H756 WeakPolarHBondContact O-CB 3.47Å; H753-H756 PolarHBondContact O-N 3.26Å; H753-T757 PolarHBondContact O-N 3.02Å; H753-T757 PolarHBondContact O-OG1 2.86Å
754	A	71	Confident	78.7	Confident	67 Å²	67	61 Å²	61	55%	0.554	39%	0.386	S	S	*	.	H	α-helix	trans	-57.4	-32.4	-175.6	0	0	0	0	0	113	S752 H756 T757 A758	S752-A754 VanDerWaalsContact C-N 3.3Å; S752-A754 PolarHBondContact O-N 3.23Å; A754-H756 VanDerWaalsContact C-N 3.34Å; A754-H756 PolarHBondContact O-N 3.18Å; A754-T757 PolarHBondContact O-N 3.45Å; A754-A758 WeakPolarHBondContact O-CB 3.37Å; A754-A758 PolarHBondContact O-N 3.49Å
755	S	71.5	Confident	78.4	Confident	27 Å²	27	66.2 Å²	66.2	19%	0.189	41%	0.413	C	S	.	.	H	α-helix	trans	-62.7	-38.2	174.4	57.5	0	0	0	0	112.9	H753 A758 A759 V768	H753-S755 PolarHBondContact O-N 3.44Å; H753-S755 VanDerWaalsContact O-N 3.14Å; S755-A758 PolarHBondContact O-N 3.44Å; S755-A759 PolarHBondContact O-N 3.32Å; S755-V768 VanDerWaalsContact O-CG1 3.29Å; S755-V768 WeakPolarHBondContact O-CG1 3.14Å
756	H	74.3	Confident	78.2	Confident	33 Å²	33	73 Å²	73	15%	0.153	44%	0.437	C	S	.	.	H	α-helix	trans	-71.1	-43.7	179.9	-61.3	88.3	0	0	0	110.4	N736 L738 H753 A754 A758 A759 Q760	N736-H756 PolarHBondContact O-CD2 2.72Å; N736-H756 VanDerWaalsContact O-CD2 3.28Å; L738-H756 HydrophobicContact CB-CB 3.96Å; H753-H756 HydrophobicContact CB-CB 4.29Å; H753-H756 AromaticContact ND1-CE1 3.95Å; H753-H756 AromaticContact ND1-ND1 3.81Å; H753-H756 WeakPolarHBondContact O-CB 3.47Å; H753-H756 PolarHBondContact O-N 3.26Å; A754-H756 VanDerWaalsContact C-N 3.34Å; A754-H756 PolarHBondContact O-N 3.18Å; H756-A758 VanDerWaalsContact C-N 3.28Å; H756-A758 PolarHBondContact O-N 3.06Å; H756-A759 PolarHBondContact O-N 2.79Å; H756-Q760 WeakPolarHBondContact O-CG 3.26Å; H756-Q760 PolarHBondContact O-N 2.82Å
757	T	75.3	Confident	78	Confident	34 Å²	34	71.7 Å²	71.7	21%	0.209	43%	0.434	C	S	.	.	H	α-helix	trans	-62.3	-36.5	174.3	-44.9	0	0	0	0	111.9	H753 A754 Q760 A761	H753-T757 PolarHBondContact O-N 3.02Å; H753-T757 PolarHBondContact O-OG1 2.86Å; A754-T757 PolarHBondContact O-N 3.45Å; T757-Q760 PolarHBondContact O-N 3.13Å; T757-A761 WeakPolarHBondContact O-CB 3.49Å; T757-A761 PolarHBondContact O-N 3.29Å
758	A	77.7	Confident	78	Confident	24 Å²	24	71.4 Å²	71.4	20%	0.198	43%	0.426	C	S	.	.	H	α-helix	trans	-65	-43.7	175.1	0	0	0	0	0	112.2	A754 S755 H756 A761 G762 L763 V768	A754-A758 WeakPolarHBondContact O-CB 3.37Å; A754-A758 PolarHBondContact O-N 3.49Å; S755-A758 PolarHBondContact O-N 3.44Å; H756-A758 VanDerWaalsContact C-N 3.28Å; H756-A758 PolarHBondContact O-N 3.06Å; A758-A761 PolarHBondContact O-N 2.9Å; A758-G762 PolarHBondContact O-N 3.07Å; A758-L763 HydrophobicContact CB-CD1 3.68Å; A758-L763 WeakPolarHBondContact O-CB 3.43Å; A758-L763 PolarHBondContact O-N 3.49Å; A758-L763 VanDerWaalsContact O-N 3.17Å; A758-V768 HydrophobicContact CB-CG2 4.17Å
759	A	79.4	Confident	78	Confident	42 Å²	42	71.6 Å²	71.6	35%	0.347	43%	0.434	S	S	.	.	H	α-helix	trans	-61.7	-44.5	174.7	0	0	0	0	0	111.5	S755 H756 A761 G762 V768	S755-A759 PolarHBondContact O-N 3.32Å; H756-A759 PolarHBondContact O-N 2.79Å; A759-A761 VanDerWaalsContact C-N 3.28Å; A759-A761 PolarHBondContact O-N 2.99Å; A759-G762 PolarHBondContact O-N 3.37Å; A759-V768 HydrophobicContact CB-CG1 4.49Å; A759-V768 HydrophobicContact CB-CG2 4.41Å
760	Q	76.5	Confident	78.3	Confident	94 Å²	94	73.6 Å²	73.6	44%	0.439	44%	0.439	S	S	.	.	H	α-helix	trans	-62	-32.4	175.5	-73.7	175.9	-16.2	0	0	113.3	L738 H756 T757 G762	L738-Q760 PolarHBondContact O-NE2 2.66Å; H756-Q760 WeakPolarHBondContact O-CG 3.26Å; H756-Q760 PolarHBondContact O-N 2.82Å; T757-Q760 PolarHBondContact O-N 3.13Å; Q760-G762 PolarHBondContact O-N 3.36Å
761	A	80.5	Confident	78.9	Confident	83 Å²	83	65.9 Å²	65.9	69%	0.686	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-2.4	174.5	0	0	0	0	0	113.5	T757 A758 A759	T757-A761 WeakPolarHBondContact O-CB 3.49Å; T757-A761 PolarHBondContact O-N 3.29Å; A758-A761 PolarHBondContact O-N 2.9Å; A759-A761 VanDerWaalsContact C-N 3.28Å; A759-A761 PolarHBondContact O-N 2.99Å
762	G	82.6	Confident	79.6	Confident	63 Å²	63	69.2 Å²	69.2	65%	0.649	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.5	20.3	178.6	0	0	0	0	0	114.5	A758 A759 Q760	A758-G762 PolarHBondContact O-N 3.07Å; A759-G762 PolarHBondContact O-N 3.37Å; Q760-G762 PolarHBondContact O-N 3.36Å
763	L	85.2	Confident	80.5	Confident	83 Å²	83	68.5 Å²	68.5	44%	0.435	41%	0.412	S	S	.	.			trans	-69.6	137.5	172.3	-80.1	160.7	0	0	0	110.6	A758 D765 L767 V768	A758-L763 HydrophobicContact CB-CD1 3.68Å; A758-L763 WeakPolarHBondContact O-CB 3.43Å; A758-L763 PolarHBondContact O-N 3.49Å; A758-L763 VanDerWaalsContact O-N 3.17Å; L763-D765 PolarHBondContact O-N 3.49Å; L763-L767 HydrophobicContact CD2-CD1 4.49Å; L763-V768 HydrophobicContact CB-CG2 3.99Å
764	P	87.9	Confident	81.2	Confident	79 Å²	79	69 Å²	69	51%	0.513	42%	0.416	S	S	.	.			trans	-52.7	135.2	178	-27.8	31.4	0	0	0	113.6	K766 L767 V768	P764-K766 PolarHBondContact O-N 2.93Å; P764-L767 HydrophobicContact CB-CD1 4.43Å; P764-L767 HydrophobicContact CB-CG 4.49Å; P764-L767 HydrophobicContact CG-CD1 4.17Å; P764-L767 WeakPolarHBondContact O-CA 3.24Å; P764-L767 WeakPolarHBondContact O-CB 3.25Å; P764-L767 PolarHBondContact O-N 3.22Å; P764-V768 PolarHBondContact O-N 3.37Å; P764-V768 VanDerWaalsContact O-N 3.13Å
765	D	84.2	Confident	81.7	Confident	130 Å²	130	68.8 Å²	68.8	70%	0.695	41%	0.411	S	S	*	.	H	α-helix	trans	-53.8	-35.3	-176.8	-63.2	-33.6	0	0	0	113.4	L763 L767 V768 A769	L763-D765 PolarHBondContact O-N 3.49Å; D765-L767 VanDerWaalsContact C-N 3.31Å; D765-L767 PolarHBondContact O-N 2.89Å; D765-V768 PolarHBondContact O-N 3.08Å; D765-A769 VanDerWaalsContact O-CB 3.23Å; D765-A769 WeakPolarHBondContact O-CB 3.46Å; D765-A769 PolarHBondContact O-N 3.24Å
766	K	85.7	Confident	82.2	Confident	185 Å²	185	70.4 Å²	70.4	80%	0.804	42%	0.417	S	S	*	.	H	α-helix	trans	-61.4	-38.6	176.1	-65.7	-175.9	-178.4	178.6	0	112.3	P764 R770	P764-K766 PolarHBondContact O-N 2.93Å; K766-R770 VanDerWaalsContact O-CB 3.32Å; K766-R770 WeakPolarHBondContact O-CB 3.42Å; K766-R770 PolarHBondContact O-N 2.81Å; K766-R770 VanDerWaalsContact O-N 3.08Å
767	L	85.3	Confident	82.6	Confident	109 Å²	109	70.3 Å²	70.3	57%	0.571	42%	0.418	S	S	*	.	H	α-helix	trans	-72.5	-40.5	176.5	-70.5	176.4	0	0	0	111	L763 P764 D765 R770 G771	L763-L767 HydrophobicContact CD2-CD1 4.49Å; P764-L767 HydrophobicContact CB-CD1 4.43Å; P764-L767 HydrophobicContact CB-CG 4.49Å; P764-L767 HydrophobicContact CG-CD1 4.17Å; P764-L767 WeakPolarHBondContact O-CA 3.24Å; P764-L767 WeakPolarHBondContact O-CB 3.25Å; P764-L767 PolarHBondContact O-N 3.22Å; D765-L767 VanDerWaalsContact C-N 3.31Å; D765-L767 PolarHBondContact O-N 2.89Å; L767-R770 PolarHBondContact O-N 3.17Å; L767-G771 PolarHBondContact O-N 3.15Å
768	V	84.9	Confident	82.8	Confident	23 Å²	23	74.2 Å²	74.2	14%	0.139	44%	0.436	C	S	.	.	H	α-helix	trans	-63.7	-47.5	177	179.5	0	0	0	0	110.8	S755 A758 A759 L763 P764 D765 R770 G771 K772	S755-V768 VanDerWaalsContact O-CG1 3.29Å; S755-V768 WeakPolarHBondContact O-CG1 3.14Å; A758-V768 HydrophobicContact CB-CG2 4.17Å; A759-V768 HydrophobicContact CB-CG1 4.49Å; A759-V768 HydrophobicContact CB-CG2 4.41Å; L763-V768 HydrophobicContact CB-CG2 3.99Å; P764-V768 PolarHBondContact O-N 3.37Å; P764-V768 VanDerWaalsContact O-N 3.13Å; D765-V768 PolarHBondContact O-N 3.08Å; V768-R770 VanDerWaalsContact C-N 3.34Å; V768-R770 PolarHBondContact O-N 2.95Å; V768-G771 PolarHBondContact O-N 3.4Å; V768-K772 PolarHBondContact O-N 2.8Å
769	A	84.2	Confident	82.6	Confident	61 Å²	61	82.1 Å²	82.1	50%	0.504	46%	0.461	S	S	.	.	H	α-helix	trans	-59.5	-44.3	176.6	0	0	0	0	0	111.4	D765 K772 E773	D765-A769 VanDerWaalsContact O-CB 3.23Å; D765-A769 WeakPolarHBondContact O-CB 3.46Å; D765-A769 PolarHBondContact O-N 3.24Å; A769-K772 PolarHBondContact O-N 3.3Å; A769-E773 WeakPolarHBondContact O-CB 3.47Å; A769-E773 PolarHBondContact O-N 2.83Å
770	R	83.6	Confident	82.7	Confident	54 Å²	54	83 Å²	83	20%	0.204	47%	0.465	C	S	.	.	H	α-helix	trans	-65.1	-41	175.9	-179.4	55.7	-179	175.4	0.2	112.3	K766 L767 V768 K772 E773 V774 I784 K785	K766-R770 VanDerWaalsContact O-CB 3.32Å; K766-R770 WeakPolarHBondContact O-CB 3.42Å; K766-R770 PolarHBondContact O-N 2.81Å; K766-R770 VanDerWaalsContact O-N 3.08Å; L767-R770 PolarHBondContact O-N 3.17Å; V768-R770 VanDerWaalsContact C-N 3.34Å; V768-R770 PolarHBondContact O-N 2.95Å; R770-K772 VanDerWaalsContact C-N 3.34Å; R770-E773 WeakPolarHBondContact CD-OE2 3.46Å; R770-E773 IonicContact CZ-OE2 3.84Å; R770-E773 IonicContact NE-OE2 3.6Å; R770-E773 IonicContact NH1-OE1 3.91Å; R770-E773 PolarHBondContact NH1-OE1 2.95Å; R770-E773 IonicContact NH1-OE2 2.93Å; R770-E773 PolarHBondContact NH1-OE2 2.76Å; R770-E773 PolarHBondContact O-N 2.82Å; R770-V774 HydrophobicContact CG-CG2 4.5Å; R770-V774 WeakPolarHBondContact O-CG2 3.48Å; R770-V774 PolarHBondContact O-N 3.28Å; R770-I784 VanDerWaalsContact NH2-CG2 3.34Å; R770-K785 PolarHBondContact NH2-O 2.75Å
771	G	83.4	Confident	82.8	Confident	42 Å²	42	81.9 Å²	81.9	43%	0.433	48%	0.478	S	S	.	.	H	α-helix	trans	-60.5	-43.6	175.8	0	0	0	0	0	111.9	L767 V768 V774 S775	L767-G771 PolarHBondContact O-N 3.15Å; V768-G771 PolarHBondContact O-N 3.4Å; G771-V774 PolarHBondContact O-N 3.31Å; G771-S775 WeakPolarHBondContact O-CB 3.43Å; G771-S775 PolarHBondContact O-N 3.03Å
772	K	83.9	Confident	82.8	Confident	108 Å²	108	84.2 Å²	84.2	47%	0.47	47%	0.473	S	S	.	.	H	α-helix	trans	-62.5	-47.8	175	-171.5	176.1	-178.6	176.8	0	111.6	V768 A769 R770 V774 S775 D776	V768-K772 PolarHBondContact O-N 2.8Å; A769-K772 PolarHBondContact O-N 3.3Å; R770-K772 VanDerWaalsContact C-N 3.34Å; K772-V774 PolarHBondContact O-N 2.81Å; K772-S775 PolarHBondContact O-N 3.48Å; K772-D776 PolarHBondContact O-N 3.2Å
773	E	83.7	Confident	82.6	Confident	72 Å²	72	86.4 Å²	86.4	34%	0.336	48%	0.476	S	S	.	.	H	α-helix	trans	-55.9	-49.3	176.2	-172.2	-159.4	160.9	0	0	111.6	A769 R770 S775 D776 L777	A769-E773 WeakPolarHBondContact O-CB 3.47Å; A769-E773 PolarHBondContact O-N 2.83Å; R770-E773 WeakPolarHBondContact CD-OE2 3.46Å; R770-E773 IonicContact CZ-OE2 3.84Å; R770-E773 IonicContact NE-OE2 3.6Å; R770-E773 IonicContact NH1-OE1 3.91Å; R770-E773 PolarHBondContact NH1-OE1 2.95Å; R770-E773 IonicContact NH1-OE2 2.93Å; R770-E773 PolarHBondContact NH1-OE2 2.76Å; R770-E773 PolarHBondContact O-N 2.82Å; E773-S775 PolarHBondContact O-N 2.77Å; E773-D776 PolarHBondContact O-N 3.2Å; E773-L777 HydrophobicContact CG-CD1 4.13Å; E773-L777 WeakPolarHBondContact O-CB 3.21Å; E773-L777 VanDerWaalsContact O-CG 3.23Å; E773-L777 WeakPolarHBondContact O-CG 3.09Å; E773-L777 PolarHBondContact O-N 3.31Å
774	V	83.5	Confident	82.2	Confident	36 Å²	36	86.2 Å²	86.2	22%	0.218	47%	0.474	C	S	.	.	H	α-helix	trans	-62.9	-42.5	178.7	170.8	0	0	0	0	111.3	R770 G771 K772 D776 L777 I778 I784	R770-V774 HydrophobicContact CG-CG2 4.5Å; R770-V774 WeakPolarHBondContact O-CG2 3.48Å; R770-V774 PolarHBondContact O-N 3.28Å; G771-V774 PolarHBondContact O-N 3.31Å; K772-V774 PolarHBondContact O-N 2.81Å; V774-D776 PolarHBondContact O-N 3.05Å; V774-L777 PolarHBondContact O-N 2.81Å; V774-I778 HydrophobicContact CG1-CD1 3.82Å; V774-I778 HydrophobicContact CG1-CG1 4.4Å; V774-I778 VanDerWaalsContact O-CG1 3.29Å; V774-I778 WeakPolarHBondContact O-CG1 3.3Å; V774-I778 PolarHBondContact O-N 2.78Å; V774-I784 HydrophobicContact CG1-CD1 3.86Å; V774-I784 HydrophobicContact CG1-CG1 4.44Å; V774-I784 HydrophobicContact CG2-CG2 4.02Å
775	S	82.7	Confident	81.4	Confident	63 Å²	63	87.8 Å²	87.8	44%	0.441	47%	0.473	S	S	.	.	H	α-helix	trans	-61.1	-43.8	177.2	-173.2	0	0	0	0	112	G771 K772 E773 I778 R779	G771-S775 WeakPolarHBondContact O-CB 3.43Å; G771-S775 PolarHBondContact O-N 3.03Å; K772-S775 PolarHBondContact O-N 3.48Å; E773-S775 PolarHBondContact O-N 2.77Å; S775-I778 PolarHBondContact O-N 3.1Å; S775-R779 WeakPolarHBondContact O-CB 3.32Å; S775-R779 PolarHBondContact O-N 3.16Å
776	D	81.5	Confident	80.8	Confident	60 Å²	60	85 Å²	85	32%	0.321	46%	0.462	S	S	.	.	H	α-helix	trans	-66.5	-37.3	177.1	-74.5	-31.6	0	0	0	112.3	K772 E773 V774 R779 S780	K772-D776 PolarHBondContact O-N 3.2Å; E773-D776 PolarHBondContact O-N 3.2Å; V774-D776 PolarHBondContact O-N 3.05Å; D776-R779 PolarHBondContact O-N 2.67Å; D776-R779 IonicContact OD1-CZ 2.78Å; D776-R779 IonicContact OD1-NE 3.61Å; D776-R779 IonicContact OD1-NH2 2.67Å; D776-R779 PolarHBondContact OD1-NH2 3.48Å; D776-S780 WeakPolarHBondContact O-CB 3.5Å; D776-S780 PolarHBondContact O-N 3.44Å; D776-S780 PolarHBondContact O-OG 2.85Å
777	L	82.9	Confident	79.8	Confident	31 Å²	31	80.3 Å²	80.3	16%	0.162	45%	0.449	C	S	.	.	H	α-helix	trans	-66.3	-43.5	174.7	-70.3	172	0	0	0	111.9	E773 V774 S780 G781 K782 I784	E773-L777 HydrophobicContact CG-CD1 4.13Å; E773-L777 WeakPolarHBondContact O-CB 3.21Å; E773-L777 VanDerWaalsContact O-CG 3.23Å; E773-L777 WeakPolarHBondContact O-CG 3.09Å; E773-L777 PolarHBondContact O-N 3.31Å; V774-L777 PolarHBondContact O-N 2.81Å; L777-S780 WeakPolarHBondContact CA-OG 3.28Å; L777-S780 CarbonylContact O-C 3.57Å; L777-S780 PolarHBondContact O-N 3.06Å; L777-S780 PolarHBondContact O-OG 3.45Å; L777-G781 PolarHBondContact O-N 2.89Å; L777-K782 HydrophobicContact CD2-CB 3.64Å; L777-K782 HydrophobicContact CD2-CD 4.24Å; L777-K782 PolarHBondContact O-N 3.37Å; L777-I784 HydrophobicContact CB-CG1 4.14Å; L777-I784 HydrophobicContact CD1-CG1 4.36Å
778	I	79.6	Confident	78.7	Confident	116 Å²	116	83.1 Å²	83.1	60%	0.595	46%	0.456	S	S	*	.	H	α-helix	trans	-61.4	-46.6	175.1	-68.6	168.5	0	0	0	110.3	V774 S775 S780 G781 I784	V774-I778 HydrophobicContact CG1-CD1 3.82Å; V774-I778 HydrophobicContact CG1-CG1 4.4Å; V774-I778 VanDerWaalsContact O-CG1 3.29Å; V774-I778 WeakPolarHBondContact O-CG1 3.3Å; V774-I778 PolarHBondContact O-N 2.78Å; S775-I778 PolarHBondContact O-N 3.1Å; I778-S780 VanDerWaalsContact C-N 3.29Å; I778-S780 PolarHBondContact O-N 3.23Å; I778-G781 PolarHBondContact O-N 2.9Å; I778-I784 HydrophobicContact CD1-CD1 4.33Å; I778-I784 HydrophobicContact CG1-CD1 3.98Å
779	R	74.4	Confident	77.4	Confident	190 Å²	190	85.6 Å²	85.6	72%	0.717	47%	0.469	S	S	*	.	H	α-helix	trans	-64.3	-32.7	179.2	-176.6	171	58.3	159.1	-2.5	113	S775 D776	S775-R779 WeakPolarHBondContact O-CB 3.32Å; S775-R779 PolarHBondContact O-N 3.16Å; D776-R779 PolarHBondContact O-N 2.67Å; D776-R779 IonicContact OD1-CZ 2.78Å; D776-R779 IonicContact OD1-NE 3.61Å; D776-R779 IonicContact OD1-NH2 2.67Å; D776-R779 PolarHBondContact OD1-NH2 3.48Å
780	S	80.1	Confident	76.3	Confident	62 Å²	62	85.8 Å²	85.8	43%	0.434	46%	0.461	S	S	.	.	H	α-helix	trans	-89.4	-1.9	177.6	60.3	0	0	0	0	114.3	D776 L777 I778 K782	D776-S780 WeakPolarHBondContact O-CB 3.5Å; D776-S780 PolarHBondContact O-N 3.44Å; D776-S780 PolarHBondContact O-OG 2.85Å; L777-S780 WeakPolarHBondContact CA-OG 3.28Å; L777-S780 CarbonylContact O-C 3.57Å; L777-S780 PolarHBondContact O-N 3.06Å; L777-S780 PolarHBondContact O-OG 3.45Å; I778-S780 VanDerWaalsContact C-N 3.29Å; I778-S780 PolarHBondContact O-N 3.23Å; S780-K782 PolarHBondContact O-N 3.18Å
781	G	78.6	Confident	75.2	Confident	70 Å²	70	88.4 Å²	88.4	72%	0.722	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.4	22.6	-177.8	0	0	0	0	0	114.1	L777 I778	L777-G781 PolarHBondContact O-N 2.89Å; I778-G781 PolarHBondContact O-N 2.9Å
782	K	81.8	Confident	74.2	Confident	132 Å²	132	92.7 Å²	92.7	57%	0.574	49%	0.485	S	S	*	.			trans	-92.9	147.5	-178.2	-70.2	179.5	-176.6	175.2	0	111.2	L777 S780 I784	L777-K782 HydrophobicContact CD2-CB 3.64Å; L777-K782 HydrophobicContact CD2-CD 4.24Å; L777-K782 PolarHBondContact O-N 3.37Å; S780-K782 PolarHBondContact O-N 3.18Å; K782-I784 PolarHBondContact O-N 2.81Å
783	P	77.6	Confident	73.1	Confident	109 Å²	109	92.8 Å²	92.8	71%	0.708	49%	0.486	S	S	*	.			trans	-65.7	133.4	179	26.2	-33.4	0	0	0	111.4	K785	P783-K785 PolarHBondContact O-N 3.4Å
784	I	76.4	Confident	72.2	Confident	78 Å²	78	94 Å²	94	40%	0.4	49%	0.494	S	S	.	.			trans	-78.2	113.2	176.6	-58.9	160.2	0	0	0	108.8	R770 V774 L777 I778 K782	R770-I784 VanDerWaalsContact NH2-CG2 3.34Å; V774-I784 HydrophobicContact CG1-CD1 3.86Å; V774-I784 HydrophobicContact CG1-CG1 4.44Å; V774-I784 HydrophobicContact CG2-CG2 4.02Å; L777-I784 HydrophobicContact CB-CG1 4.14Å; L777-I784 HydrophobicContact CD1-CG1 4.36Å; I778-I784 HydrophobicContact CD1-CD1 4.33Å; I778-I784 HydrophobicContact CG1-CD1 3.98Å; K782-I784 PolarHBondContact O-N 2.81Å
785	K	72	Confident	71.4	Confident	113 Å²	113	95.3 Å²	95.3	49%	0.491	50%	0.498	S	S	.	.			trans	-74.8	134.6	178.4	-65.8	-179.5	-178	177.1	0	110.8	R770 P783	R770-K785 PolarHBondContact NH2-O 2.75Å; P783-K785 PolarHBondContact O-N 3.4Å
786	P	70.1	Confident	70.6	Confident	70 Å²	70	98.1 Å²	98.1	46%	0.455	51%	0.506	S	S	.	.			trans	-60	145.4	171.1	-20.3	30.6	0	0	0	111.7	K788 D789 L790	P786-K788 PolarHBondContact O-N 3.26Å; P786-D789 WeakPolarHBondContact CD-OD2 3.35Å; P786-D789 PolarHBondContact O-N 3.37Å; P786-L790 PolarHBondContact O-N 2.82Å
787	V	64.8	Low	69.9	Low	87 Å²	87	99.6 Å²	99.6	53%	0.527	51%	0.511	S	S	.	.	H	α-helix	trans	-59.2	-32.8	178.3	-177.8	0	0	0	0	111.9	D789 L790 L791	V787-D789 VanDerWaalsContact C-N 3.29Å; V787-D789 PolarHBondContact O-N 3.14Å; V787-L790 WeakPolarHBondContact O-CB 3.49Å; V787-L790 PolarHBondContact O-N 3.25Å; V787-L791 PolarHBondContact O-N 2.9Å
788	K	62.3	Low	69.2	Low	168 Å²	168	102.2 Å²	102.2	73%	0.73	53%	0.525	S	S	*	.	H	α-helix	trans	-62.1	-34.4	175.5	-70.4	-173.8	177.1	-177.5	0	113	P786 L791 K792	P786-K788 PolarHBondContact O-N 3.26Å; K788-L791 PolarHBondContact O-N 2.8Å; K788-K792 PolarHBondContact O-N 3.42Å; K788-K792 VanDerWaalsContact O-N 3.08Å
789	D	59.4	Low	68.7	Low	76 Å²	76	98.6 Å²	98.6	41%	0.406	51%	0.509	S	S	.	.	H	α-helix	trans	-75.4	-28.7	179.1	-69	-21.6	0	0	0	111.8	P786 V787 K792 K793	P786-D789 WeakPolarHBondContact CD-OD2 3.35Å; P786-D789 PolarHBondContact O-N 3.37Å; V787-D789 VanDerWaalsContact C-N 3.29Å; V787-D789 PolarHBondContact O-N 3.14Å; D789-K792 PolarHBondContact O-N 2.91Å; D789-K793 WeakPolarHBondContact O-CB 3.49Å; D789-K793 PolarHBondContact O-N 2.88Å
790	L	59.3	Low	68.4	Low	65 Å²	65	95.4 Å²	95.4	34%	0.34	50%	0.503	S	S	.	.	H	α-helix	trans	-65	-42.5	170.9	-75.6	159.1	0	0	0	111.2	P786 V787 K793 N794	P786-L790 PolarHBondContact O-N 2.82Å; V787-L790 WeakPolarHBondContact O-CB 3.49Å; V787-L790 PolarHBondContact O-N 3.25Å; L790-K793 PolarHBondContact O-N 3.27Å; L790-N794 PolarHBondContact O-N 2.94Å
791	L	61.5	Low	68.1	Low	108 Å²	108	96.1 Å²	96.1	57%	0.565	50%	0.504	S	S	*	.	H	α-helix	trans	-62.4	-45	174.5	-70.7	171	0	0	0	111.7	V787 K788 K793 N794 Q795	V787-L791 PolarHBondContact O-N 2.9Å; K788-L791 PolarHBondContact O-N 2.8Å; L791-K793 VanDerWaalsContact C-N 3.27Å; L791-K793 PolarHBondContact O-N 3.07Å; L791-N794 PolarHBondContact O-N 3.4Å; L791-Q795 WeakPolarHBondContact O-CB 3.36Å; L791-Q795 WeakPolarHBondContact O-CG 3.4Å; L791-Q795 PolarHBondContact O-N 3.05Å
792	K	62.2	Low	67.8	Low	132 Å²	132	94.3 Å²	94.3	57%	0.574	48%	0.478	S	S	*	.	H	α-helix	trans	-60.8	-35.8	174.8	-75.3	-178.7	178.3	179.2	0	112.6	K788 D789 Q795 M796	K788-K792 PolarHBondContact O-N 3.42Å; K788-K792 VanDerWaalsContact O-N 3.08Å; D789-K792 PolarHBondContact O-N 2.91Å; K792-Q795 PolarHBondContact O-N 2.84Å; K792-M796 VanDerWaalsContact O-CB 3.32Å; K792-M796 WeakPolarHBondContact O-CB 3.32Å; K792-M796 PolarHBondContact O-N 3.43Å
793	K	61.2	Low	67.4	Low	111 Å²	111	91.9 Å²	91.9	48%	0.483	47%	0.474	S	S	.	.	H	α-helix	trans	-70	-43	179.3	-142.7	-174.4	179.9	-119.1	0	111.9	D789 L790 L791 Q795 M796 E797	D789-K793 WeakPolarHBondContact O-CB 3.49Å; D789-K793 PolarHBondContact O-N 2.88Å; L790-K793 PolarHBondContact O-N 3.27Å; L791-K793 VanDerWaalsContact C-N 3.27Å; L791-K793 PolarHBondContact O-N 3.07Å; K793-Q795 VanDerWaalsContact C-N 3.32Å; K793-M796 PolarHBondContact O-N 3.29Å; K793-E797 IonicContact NZ-OE1 3.7Å; K793-E797 PolarHBondContact O-N 3.44Å
794	N	64.7	Low	67.3	Low	97 Å²	97	91.4 Å²	91.4	52%	0.519	47%	0.466	S	S	.	.	H	α-helix	trans	-63.3	-39.9	172.6	-78.3	5.7	0	0	0	111.5	L790 L791 M796 E797 N798	L790-N794 PolarHBondContact O-N 2.94Å; L791-N794 PolarHBondContact O-N 3.4Å; N794-M796 VanDerWaalsContact C-N 3.35Å; N794-E797 PolarHBondContact O-N 3.42Å; N794-N798 WeakPolarHBondContact O-CB 3.4Å; N794-N798 PolarHBondContact O-N 3.34Å
795	Q	66.3	Low	67.1	Low	64 Å²	64	91.9 Å²	91.9	30%	0.299	47%	0.465	S	S	.	.	H	α-helix	trans	-61.9	-43	172.3	-75.6	177.8	-23.7	0	0	111.2	L791 K792 K793 N798 C799 S832 I833	L791-Q795 WeakPolarHBondContact O-CB 3.36Å; L791-Q795 WeakPolarHBondContact O-CG 3.4Å; L791-Q795 PolarHBondContact O-N 3.05Å; K792-Q795 PolarHBondContact O-N 2.84Å; K793-Q795 VanDerWaalsContact C-N 3.32Å; Q795-N798 PolarHBondContact O-N 2.71Å; Q795-C799 WeakPolarHBondContact O-CB 3.41Å; Q795-C799 PolarHBondContact O-N 2.97Å; Q795-C799 PolarHBondContact O-SG 2.83Å; Q795-S832 PolarHBondContact NE2-O 2.76Å; Q795-I833 HydrophobicContact CB-CG1 4.49Å; Q795-I833 HydrophobicContact CG-CG1 4.46Å
796	M	65.2	Low	67.1	Low	122 Å²	122	91.1 Å²	91.1	60%	0.601	46%	0.462	S	S	*	.	H	α-helix	trans	-66.9	-40.2	178.1	-163.3	80.7	85.4	0	0	112.4	K792 K793 N794 C799 Q800	K792-M796 VanDerWaalsContact O-CB 3.32Å; K792-M796 WeakPolarHBondContact O-CB 3.32Å; K792-M796 PolarHBondContact O-N 3.43Å; K793-M796 PolarHBondContact O-N 3.29Å; N794-M796 VanDerWaalsContact C-N 3.35Å; M796-C799 WeakPolarHBondContact O-CB 3.39Å; M796-C799 PolarHBondContact O-N 3.39Å; M796-Q800 WeakPolarHBondContact O-CG 3.5Å; M796-Q800 PolarHBondContact O-N 3.1Å
797	E	67.4	Low	67.2	Low	91 Å²	91	94.7 Å²	94.7	43%	0.425	47%	0.474	S	S	.	.	H	α-helix	trans	-65.2	-41.2	173.8	-83.8	174	-168.3	0	0	110.8	K793 N794 C799 Q800 T801	K793-E797 IonicContact NZ-OE1 3.7Å; K793-E797 PolarHBondContact O-N 3.44Å; N794-E797 PolarHBondContact O-N 3.42Å; E797-C799 VanDerWaalsContact C-N 3.35Å; E797-C799 PolarHBondContact O-N 3.33Å; E797-Q800 PolarHBondContact O-N 2.88Å; E797-T801 WeakPolarHBondContact O-CB 3.13Å; E797-T801 PolarHBondContact O-N 3.18Å; E797-T801 PolarHBondContact O-OG1 2.78Å
798	N	68.9	Low	67.6	Low	85 Å²	85	99.1 Å²	99.1	46%	0.455	49%	0.486	S	S	.	.	H	α-helix	trans	-60.6	-43.6	171.5	-79.8	-3.6	0	0	0	111.5	N794 Q795 T801 L802	N794-N798 WeakPolarHBondContact O-CB 3.4Å; N794-N798 PolarHBondContact O-N 3.34Å; Q795-N798 PolarHBondContact O-N 2.71Å; N798-T801 PolarHBondContact O-N 2.96Å; N798-L802 WeakPolarHBondContact O-CB 3.31Å; N798-L802 PolarHBondContact O-N 2.8Å
799	C	67.7	Low	68	Low	40 Å²	40	93 Å²	93	27%	0.27	46%	0.462	S	S	.	.	H	α-helix	trans	-60.6	-45.5	173.9	-68.9	0	0	0	0	111.9	Q795 M796 E797 L802 V803 I833	Q795-C799 WeakPolarHBondContact O-CB 3.41Å; Q795-C799 PolarHBondContact O-N 2.97Å; Q795-C799 PolarHBondContact O-SG 2.83Å; M796-C799 WeakPolarHBondContact O-CB 3.39Å; M796-C799 PolarHBondContact O-N 3.39Å; E797-C799 VanDerWaalsContact C-N 3.35Å; E797-C799 PolarHBondContact O-N 3.33Å; C799-L802 WeakPolarHBondContact O-CB 3.48Å; C799-L802 PolarHBondContact O-N 3.46Å; C799-V803 VanDerWaalsContact O-CG2 3.27Å; C799-V803 WeakPolarHBondContact O-CG2 3.39Å; C799-V803 PolarHBondContact O-N 3.07Å; C799-I833 WeakPolarHBondContact SG-CD1 3.37Å
800	Q	69.9	Low	68.5	Low	123 Å²	123	94 Å²	94	58%	0.575	47%	0.467	S	S	*	.	H	α-helix	trans	-63.1	-43.5	178	-80.4	-177.4	-22.9	0	0	111.5	M796 E797 L802 V803 D804	M796-Q800 WeakPolarHBondContact O-CG 3.5Å; M796-Q800 PolarHBondContact O-N 3.1Å; E797-Q800 PolarHBondContact O-N 2.88Å; Q800-L802 VanDerWaalsContact C-N 3.3Å; Q800-L802 PolarHBondContact O-N 3.26Å; Q800-V803 PolarHBondContact O-N 3.37Å; Q800-D804 WeakPolarHBondContact O-CB 3.47Å; Q800-D804 PolarHBondContact O-N 2.84Å
801	T	72	Confident	68.9	Low	77 Å²	77	96.6 Å²	96.6	47%	0.472	48%	0.48	S	S	.	.	H	α-helix	trans	-63.8	-38.4	177.9	-41.9	0	0	0	0	111.2	E797 N798 K805	E797-T801 WeakPolarHBondContact O-CB 3.13Å; E797-T801 PolarHBondContact O-N 3.18Å; E797-T801 PolarHBondContact O-OG1 2.78Å; N798-T801 PolarHBondContact O-N 2.96Å; T801-K805 WeakPolarHBondContact O-CB 3.16Å; T801-K805 WeakPolarHBondContact O-CG 3.49Å; T801-K805 PolarHBondContact O-N 2.89Å
802	L	72.5	Confident	69.1	Low	32 Å²	32	99.8 Å²	99.8	17%	0.168	49%	0.492	C	S	.	.	H	α-helix	trans	-64.2	-44.4	173.9	-168.8	83	0	0	0	111.5	N798 C799 Q800 K805 F806 E825 V826 A829	N798-L802 WeakPolarHBondContact O-CB 3.31Å; N798-L802 PolarHBondContact O-N 2.8Å; C799-L802 WeakPolarHBondContact O-CB 3.48Å; C799-L802 PolarHBondContact O-N 3.46Å; Q800-L802 VanDerWaalsContact C-N 3.3Å; Q800-L802 PolarHBondContact O-N 3.26Å; L802-K805 PolarHBondContact O-N 3.03Å; L802-F806 WeakPolarHBondContact O-CB 3.39Å; L802-F806 PolarHBondContact O-N 2.84Å; L802-E825 HydrophobicContact CD1-CB 4.03Å; L802-E825 WeakPolarHBondContact CD1-O 3.36Å; L802-V826 HydrophobicContact CD1-CG2 4.15Å; L802-V826 HydrophobicContact CD2-CG1 4.32Å; L802-V826 HydrophobicContact CD2-CG2 4.24Å; L802-V826 HydrophobicContact CG-CG2 4.45Å; L802-A829 HydrophobicContact CD1-CB 4.09Å; L802-A829 HydrophobicContact CD2-CB 4.29Å
803	V	74	Confident	69.5	Low	82 Å²	82	96.8 Å²	96.8	50%	0.497	48%	0.482	S	S	.	.	H	α-helix	trans	-63.7	-43.7	176.5	170.8	0	0	0	0	111	C799 Q800 F806 M807	C799-V803 VanDerWaalsContact O-CG2 3.27Å; C799-V803 WeakPolarHBondContact O-CG2 3.39Å; C799-V803 PolarHBondContact O-N 3.07Å; Q800-V803 PolarHBondContact O-N 3.37Å; V803-F806 WeakPolarHBondContact O-CB 3.41Å; V803-F806 PolarHBondContact O-N 2.9Å; V803-M807 HydrophobicContact CG1-CG 4.26Å; V803-M807 WeakPolarHBondContact O-CB 2.98Å; V803-M807 VanDerWaalsContact O-CG 3.27Å; V803-M807 WeakPolarHBondContact O-CG 3.45Å; V803-M807 PolarHBondContact O-N 3.22Å
804	D	74.7	Confident	69.8	Low	99 Å²	99	97.3 Å²	97.3	53%	0.529	50%	0.497	S	S	.	.	H	α-helix	trans	-65.6	-39.5	177.8	-79	-13.8	0	0	0	112.1	Q800 F806 M807 K808	Q800-D804 WeakPolarHBondContact O-CB 3.47Å; Q800-D804 PolarHBondContact O-N 2.84Å; D804-F806 VanDerWaalsContact C-N 3.33Å; D804-M807 PolarHBondContact O-N 2.84Å; D804-K808 WeakPolarHBondContact O-CG 3.37Å; D804-K808 PolarHBondContact O-N 3.15Å; D804-K808 VanDerWaalsContact O-N 3.13Å
805	K	72.6	Confident	70	Confident	88 Å²	88	99.5 Å²	99.5	38%	0.383	51%	0.509	S	S	.	.	H	α-helix	trans	-61.1	-44.2	171.2	-80.6	-174.1	-179.3	-176.5	0	110.8	T801 L802 K808 L809 F821 E825	T801-K805 WeakPolarHBondContact O-CB 3.16Å; T801-K805 WeakPolarHBondContact O-CG 3.49Å; T801-K805 PolarHBondContact O-N 2.89Å; L802-K805 PolarHBondContact O-N 3.03Å; K805-K808 PolarHBondContact O-N 3.41Å; K805-L809 PolarHBondContact O-N 3.08Å; K805-F821 HydrophobicContact CB-CE2 4.12Å; K805-F821 HydrophobicContact CB-CZ 4.2Å; K805-E825 IonicContact NZ-OE1 2.72Å; K805-E825 PolarHBondContact NZ-OE1 3.31Å; K805-E825 IonicContact NZ-OE2 3.78Å; K805-E825 PolarHBondContact NZ-OE2 2.77Å
806	F	73.4	Confident	70	Confident	96 Å²	96	98.7 Å²	98.7	42%	0.421	51%	0.507	S	S	.	.	H	α-helix	trans	-63.4	-42	178	-176.7	-100.7	0	0	0	112.3	L802 V803 D804 K808 L809 F821	L802-F806 WeakPolarHBondContact O-CB 3.39Å; L802-F806 PolarHBondContact O-N 2.84Å; V803-F806 WeakPolarHBondContact O-CB 3.41Å; V803-F806 PolarHBondContact O-N 2.9Å; D804-F806 VanDerWaalsContact C-N 3.33Å; F806-K808 PolarHBondContact O-N 3.37Å; F806-L809 HydrophobicContact CD2-CD1 3.87Å; F806-L809 WeakPolarHBondContact O-CB 3.12Å; F806-L809 PolarHBondContact O-N 3.23Å; F806-L809 VanDerWaalsContact O-N 3.15Å; F806-F821 HydrophobicContact CB-CE1 4.1Å; F806-F821 HydrophobicContact CB-CZ 4.05Å; F806-F821 HydrophobicContact CD2-CD1 4.22Å; F806-F821 AromaticContact CD2-CE1 3.66Å; F806-F821 HydrophobicContact CD2-CE1 3.66Å; F806-F821 HydrophobicContact CD2-CZ 4.38Å; F806-F821 HydrophobicContact CG-CE1 4.37Å
807	M	70.7	Confident	70.2	Confident	145 Å²	145	97 Å²	97	71%	0.714	50%	0.5	S	S	*	.	H	α-helix	trans	-67.6	-22.6	177.6	-71.8	-66.4	-64.6	0	0	113.5	V803 D804	V803-M807 HydrophobicContact CG1-CG 4.26Å; V803-M807 WeakPolarHBondContact O-CB 2.98Å; V803-M807 VanDerWaalsContact O-CG 3.27Å; V803-M807 WeakPolarHBondContact O-CG 3.45Å; V803-M807 PolarHBondContact O-N 3.22Å; D804-M807 PolarHBondContact O-N 2.84Å
808	K	73.7	Confident	70.2	Confident	181 Å²	181	96.2 Å²	96.2	79%	0.787	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-9.2	174.6	-74.9	177.3	-176	176	0	113.5	D804 K805 F806 D810	D804-K808 WeakPolarHBondContact O-CG 3.37Å; D804-K808 PolarHBondContact O-N 3.15Å; D804-K808 VanDerWaalsContact O-N 3.13Å; K805-K808 PolarHBondContact O-N 3.41Å; F806-K808 PolarHBondContact O-N 3.37Å; K808-D810 PolarHBondContact O-N 3.03Å
809	L	70.8	Confident	70.2	Confident	40 Å²	40	98 Å²	98	21%	0.209	51%	0.508	C	S	.	.	S	Bend	trans	-71.2	125.6	173.5	-67.6	163.5	0	0	0	108.7	K805 F806 L811 L816 F821	K805-L809 PolarHBondContact O-N 3.08Å; F806-L809 HydrophobicContact CD2-CD1 3.87Å; F806-L809 WeakPolarHBondContact O-CB 3.12Å; F806-L809 PolarHBondContact O-N 3.23Å; F806-L809 VanDerWaalsContact O-N 3.15Å; L809-L811 PolarHBondContact O-N 2.71Å; L809-L816 HydrophobicContact CB-CD1 4.48Å; L809-L816 HydrophobicContact CB-CD2 3.93Å; L809-L816 HydrophobicContact CD2-CD1 3.48Å; L809-L816 VanDerWaalsContact CD2-CD1 3.48Å; L809-L816 HydrophobicContact CD2-CD2 4.04Å; L809-L816 HydrophobicContact CD2-CG 4.19Å; L809-L816 HydrophobicContact CG-CD2 4.41Å; L809-F821 HydrophobicContact CD1-CB 4.45Å; L809-F821 HydrophobicContact CD1-CD1 3.7Å; L809-F821 HydrophobicContact CD1-CD2 3.72Å; L809-F821 HydrophobicContact CD1-CE1 3.8Å; L809-F821 HydrophobicContact CD1-CE2 3.8Å; L809-F821 HydrophobicContact CD1-CG 3.67Å; L809-F821 HydrophobicContact CD1-CZ 3.83Å; L809-F821 HydrophobicContact CD2-CD2 4.21Å; L809-F821 HydrophobicContact CG-CD2 4.46Å; L809-F821 HydrophobicContact CG-CE2 4.47Å
810	D	70.3	Confident	70.4	Confident	97 Å²	97	98.8 Å²	98.8	52%	0.519	51%	0.511	S	S	.	.			trans	-83.1	107.4	170.9	-167	-8.7	0	0	0	108.8	K808 E812 D813	K808-D810 PolarHBondContact O-N 3.03Å; D810-E812 PolarHBondContact O-N 2.78Å; D810-E812 PolarHBondContact OD1-N 2.82Å; D810-E812 VanDerWaalsContact OD1-N 3.12Å; D810-D813 HydrophobicContact CB-CB 4.34Å; D810-D813 PolarHBondContact O-N 2.88Å
811	L	67.6	Low	70.5	Confident	118 Å²	118	94 Å²	94	62%	0.618	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-11.5	-179.7	-67	170	0	0	0	112.6	L809 L816 L818	L809-L811 PolarHBondContact O-N 2.71Å; L811-L816 HydrophobicContact CD2-CD2 4.43Å; L811-L818 HydrophobicContact CD2-CD1 4.28Å; L811-L818 HydrophobicContact CD2-CD2 4.29Å
812	E	65.8	Low	70.2	Confident	176 Å²	176	95 Å²	95	82%	0.822	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-10.4	175.3	-61.2	-171.6	173.2	0	0	112.7	D810 P814	D810-E812 PolarHBondContact O-N 2.78Å; D810-E812 PolarHBondContact OD1-N 2.82Å; D810-E812 VanDerWaalsContact OD1-N 3.12Å; E812-P814 VanDerWaalsContact O-CD 3.24Å; E812-P814 WeakPolarHBondContact O-CD 3.31Å
813	D	70.3	Confident	70.1	Confident	68 Å²	68	96.4 Å²	96.4	36%	0.364	50%	0.502	S	S	.	.			trans	-73	114.1	177	-174.1	-3.9	0	0	0	110.5	D810 N815 L816	D810-D813 HydrophobicContact CB-CB 4.34Å; D810-D813 PolarHBondContact O-N 2.88Å; D813-N815 PolarHBondContact O-N 3.5Å; D813-N815 VanDerWaalsContact O-N 3.12Å; D813-N815 WeakPolarHBondContact OD1-CB 3.43Å; D813-N815 PolarHBondContact OD1-N 2.66Å; D813-L816 HydrophobicContact CB-CB 4.34Å; D813-L816 VanDerWaalsContact O-CB 3.29Å; D813-L816 WeakPolarHBondContact O-CB 3.24Å; D813-L816 PolarHBondContact O-N 3.21Å
814	P	66.6	Low	69.9	Low	122 Å²	122	99 Å²	99	79%	0.792	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-15	179.8	26.9	-34.7	0	0	0	113.6	E812 L816	E812-P814 VanDerWaalsContact O-CD 3.24Å; E812-P814 WeakPolarHBondContact O-CD 3.31Å; P814-L816 VanDerWaalsContact C-N 3.32Å
815	N	69.2	Low	69.6	Low	143 Å²	143	97.6 Å²	97.6	77%	0.765	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-3.6	175.2	-64.4	-39.2	0	0	0	113.3	D813 D817	D813-N815 PolarHBondContact O-N 3.5Å; D813-N815 VanDerWaalsContact O-N 3.12Å; D813-N815 WeakPolarHBondContact OD1-CB 3.43Å; D813-N815 PolarHBondContact OD1-N 2.66Å; N815-D817 PolarHBondContact O-N 3.32Å
816	L	66.1	Low	69.4	Low	48 Å²	48	95.1 Å²	95.1	25%	0.251	49%	0.491	S	S	.	.			trans	-78.3	102.7	-177.3	-158.5	86.8	0	0	0	111.6	L809 L811 D813 P814 L818	L809-L816 HydrophobicContact CB-CD1 4.48Å; L809-L816 HydrophobicContact CB-CD2 3.93Å; L809-L816 HydrophobicContact CD2-CD1 3.48Å; L809-L816 VanDerWaalsContact CD2-CD1 3.48Å; L809-L816 HydrophobicContact CD2-CD2 4.04Å; L809-L816 HydrophobicContact CD2-CG 4.19Å; L809-L816 HydrophobicContact CG-CD2 4.41Å; L811-L816 HydrophobicContact CD2-CD2 4.43Å; D813-L816 HydrophobicContact CB-CB 4.34Å; D813-L816 VanDerWaalsContact O-CB 3.29Å; D813-L816 WeakPolarHBondContact O-CB 3.24Å; D813-L816 PolarHBondContact O-N 3.21Å; P814-L816 VanDerWaalsContact C-N 3.32Å; L816-L818 HydrophobicContact CD2-CG 4.4Å; L816-L818 PolarHBondContact O-N 3.29Å
817	D	70.8	Confident	69.1	Low	86 Å²	86	95.9 Å²	95.9	46%	0.46	50%	0.498	S	S	.	.			trans	-84.9	96.6	171.3	-165.3	-13.6	0	0	0	111	N815 N819 V820 F821	N815-D817 PolarHBondContact O-N 3.32Å; D817-N819 PolarHBondContact O-N 3.36Å; D817-N819 WeakPolarHBondContact OD1-CB 3.48Å; D817-N819 PolarHBondContact OD1-N 2.99Å; D817-V820 HydrophobicContact CB-CB 4.15Å; D817-V820 HydrophobicContact CB-CG2 3.84Å; D817-V820 WeakPolarHBondContact O-CB 3.49Å; D817-V820 PolarHBondContact O-N 2.88Å; D817-V820 VanDerWaalsContact O-N 3.08Å; D817-V820 WeakPolarHBondContact OD2-CG2 3.5Å; D817-F821 PolarHBondContact O-N 2.86Å
818	L	67.1	Low	68.8	Low	75 Å²	75	92.3 Å²	92.3	39%	0.393	49%	0.486	S	S	.	.	H	α-helix	trans	-55.4	-30.4	174.6	-85.9	149	0	0	0	112.8	L811 L816 F821 M822	L811-L818 HydrophobicContact CD2-CD1 4.28Å; L811-L818 HydrophobicContact CD2-CD2 4.29Å; L816-L818 HydrophobicContact CD2-CG 4.4Å; L816-L818 PolarHBondContact O-N 3.29Å; L818-F821 PolarHBondContact O-N 3.21Å; L818-M822 WeakPolarHBondContact O-CB 3.05Å; L818-M822 WeakPolarHBondContact O-CG 3.38Å; L818-M822 PolarHBondContact O-N 3.35Å
819	N	68.2	Low	68.4	Low	122 Å²	122	84.4 Å²	84.4	65%	0.652	46%	0.455	S	S	*	.	H	α-helix	trans	-70.3	-34.9	178.3	-65.7	-48.2	0	0	0	111.6	D817 S823	D817-N819 PolarHBondContact O-N 3.36Å; D817-N819 WeakPolarHBondContact OD1-CB 3.48Å; D817-N819 PolarHBondContact OD1-N 2.99Å; N819-S823 WeakPolarHBondContact O-CB 3.35Å; N819-S823 PolarHBondContact O-N 2.8Å; N819-S823 PolarHBondContact O-OG 3.27Å
820	V	72.5	Confident	67.9	Low	56 Å²	56	84 Å²	84	34%	0.339	46%	0.457	S	S	.	.	H	α-helix	trans	-66.7	-44.5	174.6	175.7	0	0	0	0	109.9	D817 M822 S823 Q824	D817-V820 HydrophobicContact CB-CB 4.15Å; D817-V820 HydrophobicContact CB-CG2 3.84Å; D817-V820 WeakPolarHBondContact O-CB 3.49Å; D817-V820 PolarHBondContact O-N 2.88Å; D817-V820 VanDerWaalsContact O-N 3.08Å; D817-V820 WeakPolarHBondContact OD2-CG2 3.5Å; V820-M822 PolarHBondContact O-N 3.46Å; V820-S823 WeakPolarHBondContact CA-OG 3.3Å; V820-S823 PolarHBondContact O-N 3.15Å; V820-S823 PolarHBondContact O-OG 2.99Å; V820-S823 VanDerWaalsContact O-OG 3.12Å; V820-Q824 HydrophobicContact CG1-CG 4.12Å; V820-Q824 VanDerWaalsContact O-CB 3.29Å; V820-Q824 WeakPolarHBondContact O-CB 3.43Å; V820-Q824 WeakPolarHBondContact O-CG 3.28Å; V820-Q824 PolarHBondContact O-N 2.9Å
821	F	71.8	Confident	67.4	Low	22 Å²	22	84.4 Å²	84.4	10%	0.096	46%	0.463	C	S	.	.	H	α-helix	trans	-61.4	-45.5	175.8	-176.6	-99	0	0	0	112.2	K805 F806 L809 D817 L818 S823 E825 V826	K805-F821 HydrophobicContact CB-CE2 4.12Å; K805-F821 HydrophobicContact CB-CZ 4.2Å; F806-F821 HydrophobicContact CB-CE1 4.1Å; F806-F821 HydrophobicContact CB-CZ 4.05Å; F806-F821 HydrophobicContact CD2-CD1 4.22Å; F806-F821 AromaticContact CD2-CE1 3.66Å; F806-F821 HydrophobicContact CD2-CE1 3.66Å; F806-F821 HydrophobicContact CD2-CZ 4.38Å; F806-F821 HydrophobicContact CG-CE1 4.37Å; L809-F821 HydrophobicContact CD1-CB 4.45Å; L809-F821 HydrophobicContact CD1-CD1 3.7Å; L809-F821 HydrophobicContact CD1-CD2 3.72Å; L809-F821 HydrophobicContact CD1-CE1 3.8Å; L809-F821 HydrophobicContact CD1-CE2 3.8Å; L809-F821 HydrophobicContact CD1-CG 3.67Å; L809-F821 HydrophobicContact CD1-CZ 3.83Å; L809-F821 HydrophobicContact CD2-CD2 4.21Å; L809-F821 HydrophobicContact CG-CD2 4.46Å; L809-F821 HydrophobicContact CG-CE2 4.47Å; D817-F821 PolarHBondContact O-N 2.86Å; L818-F821 PolarHBondContact O-N 3.21Å; F821-S823 VanDerWaalsContact C-N 3.35Å; F821-S823 PolarHBondContact O-N 3.38Å; F821-E825 HydrophobicContact CD2-CB 4.14Å; F821-E825 HydrophobicContact CD2-CG 4.01Å; F821-E825 HydrophobicContact CE2-CB 3.93Å; F821-E825 HydrophobicContact CE2-CG 3.95Å; F821-E825 HydrophobicContact CZ-CB 4.25Å; F821-E825 WeakPolarHBondContact O-CB 3.43Å; F821-E825 PolarHBondContact O-N 2.64Å; F821-V826 HydrophobicContact CD1-CG2 4.03Å; F821-V826 HydrophobicContact CE1-CG2 3.72Å; F821-V826 PolarHBondContact O-N 3.25Å
822	M	66.5	Low	66.9	Low	100 Å²	100	81.3 Å²	81.3	49%	0.493	45%	0.452	S	S	.	.	I	π-helix	trans	-63.2	-39.3	178.4	-71	-73.1	-77.8	0	0	112.5	L818 V820 V826 L827	L818-M822 WeakPolarHBondContact O-CB 3.05Å; L818-M822 WeakPolarHBondContact O-CG 3.38Å; L818-M822 PolarHBondContact O-N 3.35Å; V820-M822 PolarHBondContact O-N 3.46Å; M822-V826 WeakPolarHBondContact O-CB 3.49Å; M822-V826 PolarHBondContact O-N 2.99Å; M822-V826 HydrophobicContact SD-CB 4.18Å; M822-V826 HydrophobicContact SD-CG1 4.33Å; M822-V826 HydrophobicContact SD-CG2 3.85Å; M822-L827 PolarHBondContact O-N 3.28Å
823	S	69	Low	66.4	Low	61 Å²	61	76 Å²	76	43%	0.427	43%	0.428	S	S	.	.	I	π-helix	trans	-78.7	-37.3	-179	58.8	0	0	0	0	114.1	N819 V820 F821 P828	N819-S823 WeakPolarHBondContact O-CB 3.35Å; N819-S823 PolarHBondContact O-N 2.8Å; N819-S823 PolarHBondContact O-OG 3.27Å; V820-S823 WeakPolarHBondContact CA-OG 3.3Å; V820-S823 PolarHBondContact O-N 3.15Å; V820-S823 PolarHBondContact O-OG 2.99Å; V820-S823 VanDerWaalsContact O-OG 3.12Å; F821-S823 VanDerWaalsContact C-N 3.35Å; F821-S823 PolarHBondContact O-N 3.38Å; S823-P828 WeakPolarHBondContact O-CD 3.43Å
824	Q	69.8	Low	65.5	Low	137 Å²	137	82.1 Å²	82.1	64%	0.64	46%	0.46	S	S	*	.	I	π-helix	trans	-90.1	-29.4	-175.2	-66.5	-173	-9.3	0	0	113.8	V820 P828	V820-Q824 HydrophobicContact CG1-CG 4.12Å; V820-Q824 VanDerWaalsContact O-CB 3.29Å; V820-Q824 WeakPolarHBondContact O-CB 3.43Å; V820-Q824 WeakPolarHBondContact O-CG 3.28Å; V820-Q824 PolarHBondContact O-N 2.9Å; Q824-P828 WeakPolarHBondContact O-CG 3.48Å
825	E	69.2	Low	65.4	Low	68 Å²	68	80.1 Å²	80.1	32%	0.318	44%	0.443	S	S	.	.	I	π-helix	trans	-113.6	-48.9	-173.4	-66.2	-79	177.9	0	0	111.7	L802 K805 F821 A829	L802-E825 HydrophobicContact CD1-CB 4.03Å; L802-E825 WeakPolarHBondContact CD1-O 3.36Å; K805-E825 IonicContact NZ-OE1 2.72Å; K805-E825 PolarHBondContact NZ-OE1 3.31Å; K805-E825 IonicContact NZ-OE2 3.78Å; K805-E825 PolarHBondContact NZ-OE2 2.77Å; F821-E825 HydrophobicContact CD2-CB 4.14Å; F821-E825 HydrophobicContact CD2-CG 4.01Å; F821-E825 HydrophobicContact CE2-CB 3.93Å; F821-E825 HydrophobicContact CE2-CG 3.95Å; F821-E825 HydrophobicContact CZ-CB 4.25Å; F821-E825 WeakPolarHBondContact O-CB 3.43Å; F821-E825 PolarHBondContact O-N 2.64Å; E825-A829 WeakPolarHBondContact O-CB 3.5Å; E825-A829 PolarHBondContact O-N 3.18Å
826	V	67.7	Low	65.2	Low	37 Å²	37	76.8 Å²	76.8	22%	0.224	43%	0.426	C	S	.	.	I	π-helix	trans	-76.1	-48.1	-173.8	-177.2	0	0	0	0	112.3	L802 F821 M822 A829 A830	L802-V826 HydrophobicContact CD1-CG2 4.15Å; L802-V826 HydrophobicContact CD2-CG1 4.32Å; L802-V826 HydrophobicContact CD2-CG2 4.24Å; L802-V826 HydrophobicContact CG-CG2 4.45Å; F821-V826 HydrophobicContact CD1-CG2 4.03Å; F821-V826 HydrophobicContact CE1-CG2 3.72Å; F821-V826 PolarHBondContact O-N 3.25Å; M822-V826 WeakPolarHBondContact O-CB 3.49Å; M822-V826 PolarHBondContact O-N 2.99Å; M822-V826 HydrophobicContact SD-CB 4.18Å; M822-V826 HydrophobicContact SD-CG1 4.33Å; M822-V826 HydrophobicContact SD-CG2 3.85Å; V826-A829 PolarHBondContact O-N 2.86Å; V826-A830 VanDerWaalsContact O-CB 3.3Å; V826-A830 WeakPolarHBondContact O-CB 3.34Å; V826-A830 PolarHBondContact O-N 3.3Å
827	L	67.8	Low	65.2	Low	111 Å²	111	78.4 Å²	78.4	58%	0.581	44%	0.436	S	S	*	.	H	α-helix	trans	-58.6	-47.7	-178.4	-98.5	161.3	0	0	0	113.1	M822 A830 T831	M822-L827 PolarHBondContact O-N 3.28Å; L827-A830 PolarHBondContact O-N 2.67Å; L827-T831 PolarHBondContact O-N 2.87Å; L827-T831 PolarHBondContact O-OG1 3.44Å
828	P	65.1	Low	64.9	Low	70 Å²	70	77.9 Å²	77.9	46%	0.455	43%	0.434	S	S	.	.	H	α-helix	trans	-64.2	-39.7	176.2	-24.1	36.1	0	0	0	113.1	S823 Q824 T831 S832	S823-P828 WeakPolarHBondContact O-CD 3.43Å; Q824-P828 WeakPolarHBondContact O-CG 3.48Å; P828-T831 WeakPolarHBondContact CA-OG1 3.47Å; P828-T831 PolarHBondContact O-N 3.32Å; P828-T831 PolarHBondContact O-OG1 3.43Å; P828-S832 PolarHBondContact O-N 3.5Å
829	A	63.4	Low	64.7	Low	16 Å²	16	78.1 Å²	78.1	13%	0.132	44%	0.437	C	S	.	.	H	α-helix	trans	-63.8	-45.7	175.4	0	0	0	0	0	110.8	L802 E825 V826 T831 S832 I833	L802-A829 HydrophobicContact CD1-CB 4.09Å; L802-A829 HydrophobicContact CD2-CB 4.29Å; E825-A829 WeakPolarHBondContact O-CB 3.5Å; E825-A829 PolarHBondContact O-N 3.18Å; V826-A829 PolarHBondContact O-N 2.86Å; A829-T831 VanDerWaalsContact C-N 3.33Å; A829-T831 PolarHBondContact O-N 2.95Å; A829-S832 WeakPolarHBondContact O-CB 3.47Å; A829-S832 PolarHBondContact O-N 3.44Å; A829-S832 PolarHBondContact O-OG 2.67Å; A829-I833 HydrophobicContact CB-CD1 4.49Å; A829-I833 VanDerWaalsContact O-CD1 3.26Å; A829-I833 WeakPolarHBondContact O-CD1 3.13Å; A829-I833 VanDerWaalsContact O-CG1 3.24Å; A829-I833 WeakPolarHBondContact O-CG1 3.28Å; A829-I833 PolarHBondContact O-N 3.02Å
830	A	61.9	Low	64.5	Low	31 Å²	31	75.2 Å²	75.2	26%	0.256	42%	0.423	S	S	.	.	H	α-helix	trans	-60.9	-38.9	178	0	0	0	0	0	112.4	V826 L827 S832 I833 L834	V826-A830 VanDerWaalsContact O-CB 3.3Å; V826-A830 WeakPolarHBondContact O-CB 3.34Å; V826-A830 PolarHBondContact O-N 3.3Å; L827-A830 PolarHBondContact O-N 2.67Å; A830-S832 PolarHBondContact O-N 3.23Å; A830-I833 PolarHBondContact O-N 3.49Å; A830-I833 VanDerWaalsContact O-N 3.14Å; A830-L834 HydrophobicContact CB-CD1 4.5Å; A830-L834 WeakPolarHBondContact O-CB 3.41Å; A830-L834 PolarHBondContact O-N 2.88Å
831	T	59.8	Low	63.9	Low	105 Å²	105	76.6 Å²	76.6	64%	0.644	43%	0.428	S	S	*	.	H	α-helix	trans	-66.6	-21	175.6	3.6	0	0	0	0	113.4	L827 P828 A829	L827-T831 PolarHBondContact O-N 2.87Å; L827-T831 PolarHBondContact O-OG1 3.44Å; P828-T831 WeakPolarHBondContact CA-OG1 3.47Å; P828-T831 PolarHBondContact O-N 3.32Å; P828-T831 PolarHBondContact O-OG1 3.43Å; A829-T831 VanDerWaalsContact C-N 3.33Å; A829-T831 PolarHBondContact O-N 2.95Å
832	S	56.3	Low	63.3	Low	54 Å²	54	80.8 Å²	80.8	38%	0.378	45%	0.454	S	S	.	.	H	α-helix	trans	-87.8	-16.9	174.4	78	0	0	0	0	113.7	Q795 P828 A829 A830	Q795-S832 PolarHBondContact NE2-O 2.76Å; P828-S832 PolarHBondContact O-N 3.5Å; A829-S832 WeakPolarHBondContact O-CB 3.47Å; A829-S832 PolarHBondContact O-N 3.44Å; A829-S832 PolarHBondContact O-OG 2.67Å; A830-S832 PolarHBondContact O-N 3.23Å
833	I	55.4	Low	63.1	Low	64 Å²	64	79.2 Å²	79.2	33%	0.328	45%	0.451	S	S	.	.	H	α-helix	trans	-98.6	-42.7	-175.8	-64.3	158	0	0	0	110.9	Q795 C799 A829 A830	Q795-I833 HydrophobicContact CB-CG1 4.49Å; Q795-I833 HydrophobicContact CG-CG1 4.46Å; C799-I833 WeakPolarHBondContact SG-CD1 3.37Å; A829-I833 HydrophobicContact CB-CD1 4.49Å; A829-I833 VanDerWaalsContact O-CD1 3.26Å; A829-I833 WeakPolarHBondContact O-CD1 3.13Å; A829-I833 VanDerWaalsContact O-CG1 3.24Å; A829-I833 WeakPolarHBondContact O-CG1 3.28Å; A829-I833 PolarHBondContact O-N 3.02Å; A830-I833 PolarHBondContact O-N 3.49Å; A830-I833 VanDerWaalsContact O-N 3.14Å
834	L	51.4	Low	62.5	Low	196 Å²	196	80.8 Å²	80.8	100%	1.026	45%	0.453	S	S	*	.			trans	-73.7	0	170.2	-74	160.1	0	0	0	110.3	A830	A830-L834 HydrophobicContact CB-CD1 4.5Å; A830-L834 WeakPolarHBondContact O-CB 3.41Å; A830-L834 PolarHBondContact O-N 2.88Å

Retrieved 834 of 834 residues in 728.4 ms (Link to these results)

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