A0A673YV18_SALTR Loading...

26S proteasome non-ATPase regulatory subunit 2

Binds to the intracellular domain of tumor necrosis factor type 1 receptor. The binding domain of TRAP1 and TRAP2 resides outside the death domain of TNFR1. Component of the 26S proteasome, a multiprotein complex involved in the ATP-dependent degradation of ubiquitinated proteins. This complex plays a key role in the maintenance of protein homeostasis by removing misfolded or damaged proteins, which could impair cellular functions, and by removing proteins whose functions are no longer required. Therefore, the proteasome participates in numerous cellular processes, including cell cycle progression, apoptosis, or DNA damage repair.

AlphaFold DB , UniProt , Accession A0A673YV18, Species SALTR (Salmo trutta, Brown trout), Gene PSMD2, Length 898 aa.

						>A0A673YV18_SALTR|A0A673YV18|PSMD2
MEDAKKKEKKQSEKTEEKEIKPTGKDKDKKEEQELSDEDKQLQEELEMMVERLGETDTSLYRPALEELRRQIRSSTTSMTSVPKPLKFLRPHYGKLKEIYEGMAPGENKSFCADVVSVLAMTMSGERECLKYRLLGSQEELASWGHEYVRHLAGEVAKEWQEVEESDKTQQETLLKLVKEIVPYNMAHNAEHEACDLLMEIERLDMLELYIDDNAYAKVCLYLTSCVSYVPEPENSALLKCSLNIFRKFNRYPEALRLALMLNDVELVENIFTSCKDIVIQKEMAFMLGRHGMFLELNEDVEDYEDLTEIMSNVQLNSNFLALARELDIMEPKVPDDIYKTHLENNRFGGSGSQVDSARMNLASSFVNGFVNAGFGQDKLLTDDGNKWLYKNKDHGMLSAAASLGMILLWDVDGGLTQIDKYLYSSEDYIKSGALLACGIVNSGVRNECDPALALLSDYVLHNSNVMRIGAIFGLGLAYAGSNREDVLSLLLPVMVDSKSSMEVAGVTALACGMIAVGSCNGDVTSTIVQTIMEKSELELKDTYARWLPLGLGLNHLGKGEAIETTLAALQVVPEPFRSFANTLVDVCAYAGSGNVLKVQQLLHICSEHYEAKEKEEEKDKKDKKDKDKKESAADMGSHQGVAVLGIALIAMGEEIGSEMALRAFGHLLRYGEPTLRRAVPLALALISVSNPRLNILDTLSKFSHDADPEVSHNSIFAMGMVGSGTNNARLAAMLRQLAQYHAKDPNNLFMVRLAQGLTHLGKGTLTLCPYHSDRQLMSQVAVAGLLTVLVSFLDVKNIILGKSHYVLYGLVAAMQPRMLVTFDEELRPLPVSVRVGQAVDVVGQAGKPKAITGFQTHTTPVLLAHGERAELATEEYLPVTPILEGFVILRKNPNYDA
					

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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	33.8	Very low	26.2	Very low	238 Å²	238	183 Å²	183	100%	1.172	87%	0.866	S	S	*	*				0	105.8	0	-73.2	174.7	173.7	0	0	104.6
2	E	29.7	Very low	26	Very low	179 Å²	179	177.1 Å²	177.1	84%	0.836	86%	0.859	S	S	*	*			cis	-141.1	121.3	26.9	-75.3	169.9	130.6	0	0	107.2
3	D	25.4	Very low	25.7	Very low	146 Å²	146	177.8 Å²	177.8	78%	0.781	86%	0.86	S	S	*	*				71.9	97.7	94	-72.9	-56	0	0	0	112.8
4	A	25.2	Very low	25.5	Very low	80 Å²	80	179.4 Å²	179.4	66%	0.661	86%	0.861	S	S	*	*				77.3	132.1	69.9	0	0	0	0	0	115.5
5	K	27.4	Very low	25.3	Very low	203 Å²	203	176.5 Å²	176.5	88%	0.883	86%	0.859	S	S	*	*			trans	92.4	112.6	156.2	-62.1	173.5	178.5	171	0	118.7
6	K	27.3	Very low	25.2	Very low	210 Å²	210	177 Å²	177	91%	0.913	86%	0.859	S	S	*	*				-163.1	123.4	97.1	-102.8	171.9	-179.5	179.2	0	112.2
7	K	25.1	Very low	25	Very low	202 Å²	202	178.4 Å²	178.4	88%	0.878	86%	0.864	S	S	*	*			trans	-100.8	142.2	164.5	-92.1	179.1	171.9	174.3	0	107.9
8	E	24.6	Very low	25.1	Very low	189 Å²	189	180.1 Å²	180.1	88%	0.883	87%	0.866	S	S	*	*			trans	-179.7	97.9	141.9	-103	173	176.6	0	0	108.4
9	K	24.2	Very low	24.9	Very low	198 Å²	198	179.6 Å²	179.6	86%	0.861	86%	0.863	S	S	*	*				58.1	120	93.1	-82	-172.8	173.4	-177.5	0	113.3
10	K	22.6	Very low	24.8	Very low	192 Å²	192	177.1 Å²	177.1	84%	0.835	85%	0.853	S	S	*	*				-162.4	155.9	60.1	-77.1	171.3	173.1	171.7	0	107.9
11	Q	23.5	Very low	24.9	Very low	176 Å²	176	177.8 Å²	177.8	82%	0.822	85%	0.852	S	S	*	*				-177.1	139.1	65.8	-142.8	164.4	12.4	0	0	112.1
12	S	22.9	Very low	24.6	Very low	112 Å²	112	172.2 Å²	172.2	78%	0.783	83%	0.834	S	S	*	*			trans	61.9	123.1	149.3	52.3	0	0	0	0	123.7
13	E	22	Very low	24.4	Very low	186 Å²	186	170.3 Å²	170.3	87%	0.869	83%	0.834	S	S	*	*			trans	-55.3	148.4	171.3	-62.4	156.5	151.3	0	0	115.7
14	K	24.1	Very low	24.3	Very low	200 Å²	200	166.9 Å²	166.9	87%	0.87	83%	0.833	S	S	*	*				-169.3	120.9	121.6	-102.6	175	-176.5	-174.9	0	112.1
15	T	22.3	Very low	24.2	Very low	136 Å²	136	172.4 Å²	172.4	83%	0.834	84%	0.842	S	S	*	*			trans	24.5	131.8	146.9	-21.7	0	0	0	0	121.6
16	E	22.8	Very low	24.2	Very low	185 Å²	185	169.5 Å²	169.5	86%	0.864	84%	0.836	S	S	*	*			trans	-58.9	138.2	168	-62.2	171.8	136.1	0	0	113.4
17	E	23.1	Very low	24.1	Very low	200 Å²	200	169.2 Å²	169.2	94%	0.935	84%	0.835	S	S	*	*			trans	-159.6	131.7	131.6	-112.1	174.3	-171.2	0	0	108.7
18	K	25.2	Very low	24.1	Very low	209 Å²	209	168 Å²	168	91%	0.909	84%	0.838	S	S	*	*			trans	-88.1	127.7	-177	-78.7	173.3	173	172.4	0	109.9
19	E	21.3	Very low	24.3	Very low	172 Å²	172	168.5 Å²	168.5	80%	0.804	84%	0.837	S	S	*	*			trans	-150.2	129.8	149.8	-97.2	-161.4	159	0	0	112.1
20	I	22.8	Very low	24.6	Very low	128 Å²	128	167 Å²	167	66%	0.656	83%	0.831	S	S	*	*			trans	74.1	110.4	135.9	-56.1	167.9	0	0	0	120.5
21	K	27.8	Very low	24.8	Very low	192 Å²	192	167.2 Å²	167.2	84%	0.835	84%	0.835	S	S	*	*			trans	42.6	155.2	132.7	-75.1	-177	-179.4	179.2	0	120.5
22	P	28.4	Very low	25.2	Very low	122 Å²	122	166.3 Å²	166.3	79%	0.792	83%	0.831	S	S	*	*			cis	-146.1	179.4	38.5	35.5	-10.5	0	0	0	118.1
23	T	24.3	Very low	25.8	Very low	139 Å²	139	169.7 Å²	169.7	85%	0.853	83%	0.834	S	S	*	*			trans	-50	148.1	-178.4	45.7	0	0	0	0	118.6
24	G	22.9	Very low	26.4	Very low	73 Å²	73	170.1 Å²	170.1	75%	0.753	84%	0.836	S	S	*	*			trans	151.7	99.8	143.4	0	0	0	0	0	118.7
25	K	24.1	Very low	27.4	Very low	196 Å²	196	163.8 Å²	163.8	85%	0.852	81%	0.811	S	S	*	*			trans	84	128.6	145.4	-72	-176.4	175	179.7	0	122.7
26	D	26.4	Very low	29.1	Very low	143 Å²	143	160.2 Å²	160.2	77%	0.765	79%	0.792	S	S	*	*			trans	72.3	92.9	146.7	-68.2	-44	0	0	0	119.7
27	K	26.2	Very low	30.7	Very low	203 Å²	203	157 Å²	157	88%	0.883	78%	0.781	S	S	*	*				-178.7	90.5	130	-100.7	171	-176.1	-178.8	0	110.4
28	D	25.5	Very low	32.3	Very low	176 Å²	176	154.7 Å²	154.7	94%	0.941	77%	0.77	S	S	*	*			trans	-134.8	92.9	151	-87.7	-39.8	0	0	0	108.1
29	K	27.9	Very low	33.9	Very low	200 Å²	200	146.2 Å²	146.2	87%	0.87	73%	0.734	S	S	*	*			trans	-125.6	121.6	164.3	-101.8	-174.7	178.6	177.7	0	107.2
30	K	31	Very low	35.8	Very low	167 Å²	167	142.5 Å²	142.5	73%	0.726	72%	0.716	S	S	*	*			trans	76.7	87.3	159.3	-60.5	-172.1	169.1	-150.3	0	117.1	E32	K30-E32 IonicContact NZ-OE1 3.12Å
31	E	27.2	Very low	37.8	Very low	197 Å²	197	141.9 Å²	141.9	92%	0.921	71%	0.71	S	S	*	*				-114.3	102.3	129.3	-76.2	-173.8	164.5	0	0	107.2	Q33	E31-Q33 PolarHBondContact O-N 3.35Å
32	E	30.6	Very low	39.6	Very low	157 Å²	157	134.6 Å²	134.6	73%	0.734	68%	0.68	S	S	*	*			trans	-64.4	105.6	164.7	-77.1	164	-174.8	0	0	106.6	K30 E34	K30-E32 IonicContact NZ-OE1 3.12Å; E32-E34 PolarHBondContact O-N 2.69Å
33	Q	36.4	Very low	41.3	Very low	183 Å²	183	131.7 Å²	131.7	86%	0.855	66%	0.656	S	S	*	*			trans	-62.2	117.4	164.5	-88.7	175.7	-26.5	0	0	107.9	E31 L35	E31-Q33 PolarHBondContact O-N 3.35Å; Q33-L35 PolarHBondContact O-N 3.36Å; Q33-L35 VanDerWaalsContact O-N 3.11Å
34	E	34.6	Very low	43.5	Very low	194 Å²	194	131.3 Å²	131.3	91%	0.907	64%	0.644	S	S	*	*			trans	-52.9	113.5	173.4	-66.3	179.7	150.3	0	0	109.8	E32 S36	E32-E34 PolarHBondContact O-N 2.69Å; E34-S36 PolarHBondContact O-N 2.88Å
35	L	45.5	Very low	45.7	Very low	67 Å²	67	131.6 Å²	131.6	35%	0.351	63%	0.626	S	S	.	*			trans	-61.4	125.6	169.6	-115.2	80.8	0	0	0	108.7	Q33 D39 K40 F88	Q33-L35 PolarHBondContact O-N 3.36Å; Q33-L35 VanDerWaalsContact O-N 3.11Å; L35-D39 HydrophobicContact CD2-CB 4.21Å; L35-D39 HydrophobicContact CG-CB 4.1Å; L35-K40 HydrophobicContact CB-CG 4.13Å; L35-K40 HydrophobicContact CD2-CG 3.87Å; L35-F88 HydrophobicContact CD2-CE1 4.17Å; L35-F88 HydrophobicContact CD2-CZ 3.97Å; L35-F88 HydrophobicContact CG-CZ 4.43Å
36	S	58	Low	47.7	Very low	61 Å²	61	122.5 Å²	122.5	43%	0.427	59%	0.587	S	S	.	*			trans	-56.1	145.8	169.3	-174	0	0	0	0	110	E34 E38 D39 K40	E34-S36 PolarHBondContact O-N 2.88Å; S36-E38 PolarHBondContact O-N 3.05Å; S36-D39 WeakPolarHBondContact O-CA 3.4Å; S36-D39 WeakPolarHBondContact O-CB 3.39Å; S36-D39 PolarHBondContact O-N 3.08Å; S36-K40 PolarHBondContact O-N 3.1Å; S36-K40 VanDerWaalsContact O-N 3.13Å
37	D	56.1	Low	49.7	Very low	118 Å²	118	119 Å²	119	63%	0.631	57%	0.566	S	S	*	*	H	α-helix	trans	-62.5	-24.9	179.3	-69.3	-32.2	0	0	0	112.3	K40 Q41	D37-K40 IonicContact OD1-NZ 2.73Å; D37-K40 PolarHBondContact OD1-NZ 3.19Å; D37-K40 VanDerWaalsContact OD1-NZ 3.08Å; D37-Q41 WeakPolarHBondContact O-CB 3.4Å; D37-Q41 PolarHBondContact O-N 3.2Å
38	E	57	Low	51.8	Low	152 Å²	152	113.3 Å²	113.3	71%	0.71	54%	0.544	S	S	*	.	H	α-helix	trans	-67.7	-35.3	168.8	-66.4	-179	161.1	0	0	112.9	S36 Q41 L42	S36-E38 PolarHBondContact O-N 3.05Å; E38-Q41 PolarHBondContact O-N 2.97Å; E38-L42 WeakPolarHBondContact O-CB 3.46Å; E38-L42 PolarHBondContact O-N 2.74Å
39	D	56.9	Low	53.7	Low	30 Å²	30	105.5 Å²	105.5	16%	0.16	50%	0.502	C	S	.	.	H	α-helix	trans	-73.2	-33	178	-75.6	-27.4	0	0	0	110.9	L35 S36 Q43 K84 F88	L35-D39 HydrophobicContact CD2-CB 4.21Å; L35-D39 HydrophobicContact CG-CB 4.1Å; S36-D39 WeakPolarHBondContact O-CA 3.4Å; S36-D39 WeakPolarHBondContact O-CB 3.39Å; S36-D39 PolarHBondContact O-N 3.08Å; D39-Q43 WeakPolarHBondContact O-CB 3.46Å; D39-Q43 PolarHBondContact O-N 3.24Å; D39-K84 IonicContact OD1-NZ 2.97Å; D39-K84 PolarHBondContact OD1-NZ 3.31Å; D39-K84 IonicContact OD2-NZ 3.99Å; D39-K84 PolarHBondContact OD2-NZ 3.2Å; D39-F88 HydrophobicContact CB-CE2 4.46Å; D39-F88 HydrophobicContact CB-CZ 4.44Å
40	K	61.2	Low	55.4	Low	94 Å²	94	96.2 Å²	96.2	41%	0.409	46%	0.461	S	S	.	.	H	α-helix	trans	-69.7	-42	172.2	-67.5	177.7	-165.3	147.1	0	111.8	L35 S36 D37 L42 Q43 E44	L35-K40 HydrophobicContact CB-CG 4.13Å; L35-K40 HydrophobicContact CD2-CG 3.87Å; S36-K40 PolarHBondContact O-N 3.1Å; S36-K40 VanDerWaalsContact O-N 3.13Å; D37-K40 IonicContact OD1-NZ 2.73Å; D37-K40 PolarHBondContact OD1-NZ 3.19Å; D37-K40 VanDerWaalsContact OD1-NZ 3.08Å; K40-L42 VanDerWaalsContact C-N 3.3Å; K40-L42 PolarHBondContact O-N 3.35Å; K40-Q43 WeakPolarHBondContact O-CB 3.34Å; K40-Q43 PolarHBondContact O-N 2.91Å; K40-E44 WeakPolarHBondContact O-CG 3.49Å; K40-E44 PolarHBondContact O-N 2.67Å
41	Q	66.6	Low	57.2	Low	116 Å²	116	94.7 Å²	94.7	54%	0.542	46%	0.457	S	S	.	.	H	α-helix	trans	-64.6	-37.9	177.3	-163.5	167.7	10.3	0	0	111.3	D37 E38 E44 E45	D37-Q41 WeakPolarHBondContact O-CB 3.4Å; D37-Q41 PolarHBondContact O-N 3.2Å; E38-Q41 PolarHBondContact O-N 2.97Å; Q41-E44 PolarHBondContact O-N 3.04Å; Q41-E45 WeakPolarHBondContact O-CB 3.37Å; Q41-E45 WeakPolarHBondContact O-CG 3.49Å; Q41-E45 PolarHBondContact O-N 3.47Å
42	L	64.4	Low	59	Low	38 Å²	38	90.6 Å²	90.6	20%	0.199	43%	0.433	C	S	.	.	H	α-helix	trans	-65.3	-39.9	172.2	-170.7	69.9	0	0	0	112.1	E38 K40 L46 P85	E38-L42 WeakPolarHBondContact O-CB 3.46Å; E38-L42 PolarHBondContact O-N 2.74Å; K40-L42 VanDerWaalsContact C-N 3.3Å; K40-L42 PolarHBondContact O-N 3.35Å; L42-L46 HydrophobicContact CG-CD1 4.23Å; L42-L46 WeakPolarHBondContact O-CB 3.28Å; L42-L46 WeakPolarHBondContact O-CG 3.29Å; L42-L46 PolarHBondContact O-N 2.61Å; L42-P85 HydrophobicContact CD2-CG 4.14Å
43	Q	64.2	Low	60.4	Low	62 Å²	62	83.2 Å²	83.2	29%	0.29	40%	0.398	S	S	.	.	H	α-helix	trans	-63.9	-44.4	174.6	-174.1	179.9	-12.8	0	0	111.6	D39 K40 L46 E47 F88	D39-Q43 WeakPolarHBondContact O-CB 3.46Å; D39-Q43 PolarHBondContact O-N 3.24Å; K40-Q43 WeakPolarHBondContact O-CB 3.34Å; K40-Q43 PolarHBondContact O-N 2.91Å; Q43-L46 PolarHBondContact O-N 3.01Å; Q43-E47 WeakPolarHBondContact CG-OE1 3.31Å; Q43-E47 PolarHBondContact NE2-OE1 3.46Å; Q43-E47 WeakPolarHBondContact O-CB 3.32Å; Q43-E47 WeakPolarHBondContact O-CG 3.41Å; Q43-E47 PolarHBondContact O-N 2.98Å; Q43-F88 HydrophobicContact CB-CD2 4.46Å; Q43-F88 HydrophobicContact CB-CG 4.35Å; Q43-F88 HydrophobicContact CG-CB 4.36Å; Q43-F88 HydrophobicContact CG-CD1 4.32Å; Q43-F88 HydrophobicContact CG-CG 4.32Å
44	E	70.8	Confident	61.4	Low	130 Å²	130	76.9 Å²	76.9	61%	0.607	38%	0.382	S	S	*	.	H	α-helix	trans	-64.8	-39.6	176.8	-73.4	178.1	179.7	0	0	112.3	K40 Q41 M48	K40-E44 WeakPolarHBondContact O-CG 3.49Å; K40-E44 PolarHBondContact O-N 2.67Å; Q41-E44 PolarHBondContact O-N 3.04Å; E44-M48 VanDerWaalsContact O-CB 3.28Å; E44-M48 WeakPolarHBondContact O-CB 3.44Å; E44-M48 PolarHBondContact O-N 2.95Å
45	E	68.8	Low	63	Low	80 Å²	80	72.5 Å²	72.5	37%	0.374	36%	0.362	S	S	.	.	H	α-helix	trans	-63.9	-44.3	173.2	-78.2	-175	-178.9	0	0	111.6	Q41 M48 M49 Q71	Q41-E45 WeakPolarHBondContact O-CB 3.37Å; Q41-E45 WeakPolarHBondContact O-CG 3.49Å; Q41-E45 PolarHBondContact O-N 3.47Å; E45-M48 PolarHBondContact O-N 2.99Å; E45-M49 WeakPolarHBondContact O-CB 3.24Å; E45-M49 WeakPolarHBondContact O-CG 3.44Å; E45-M49 PolarHBondContact O-N 3.46Å; E45-Q71 PolarHBondContact OE2-NE2 2.89Å
46	L	66.4	Low	63.2	Low	5 Å²	5	75.8 Å²	75.8	3%	0.026	39%	0.385	C	S	.	.	H	α-helix	trans	-64.8	-41.3	177.4	-72.3	172.7	0	0	0	112.2	L42 Q43 M49 V50 L68 P85 F88 L89	L42-L46 HydrophobicContact CG-CD1 4.23Å; L42-L46 WeakPolarHBondContact O-CB 3.28Å; L42-L46 WeakPolarHBondContact O-CG 3.29Å; L42-L46 PolarHBondContact O-N 2.61Å; Q43-L46 PolarHBondContact O-N 3.01Å; L46-M49 PolarHBondContact O-N 3.28Å; L46-V50 WeakPolarHBondContact O-CG2 3.41Å; L46-V50 PolarHBondContact O-N 3.41Å; L46-L68 HydrophobicContact CD2-CD1 3.33Å; L46-P85 HydrophobicContact CD1-CB 4.11Å; L46-F88 HydrophobicContact CD1-CB 4.3Å; L46-L89 HydrophobicContact CD1-CD1 4.23Å; L46-L89 HydrophobicContact CD1-CG 4.4Å; L46-L89 HydrophobicContact CD2-CD1 3.96Å; L46-L89 HydrophobicContact CD2-CG 4.4Å
47	E	68.6	Low	63	Low	68 Å²	68	77.7 Å²	77.7	32%	0.318	39%	0.39	S	S	.	.	H	α-helix	trans	-64.2	-45.1	175.8	-76.9	178.8	-165.7	0	0	111.4	Q43 M49 V50 E51	Q43-E47 WeakPolarHBondContact CG-OE1 3.31Å; Q43-E47 PolarHBondContact NE2-OE1 3.46Å; Q43-E47 WeakPolarHBondContact O-CB 3.32Å; Q43-E47 WeakPolarHBondContact O-CG 3.41Å; Q43-E47 PolarHBondContact O-N 2.98Å; E47-M49 VanDerWaalsContact C-N 3.25Å; E47-M49 PolarHBondContact O-N 3.05Å; E47-V50 PolarHBondContact O-N 3.13Å; E47-E51 WeakPolarHBondContact O-CG 3.18Å; E47-E51 PolarHBondContact O-N 3.02Å
48	M	70.8	Confident	63	Low	85 Å²	85	76.7 Å²	76.7	42%	0.419	39%	0.388	S	S	.	.	H	α-helix	trans	-59.2	-37.6	175.5	-171.1	-158.4	-55.7	0	0	111.8	E44 E45 E51 R52	E44-M48 VanDerWaalsContact O-CB 3.28Å; E44-M48 WeakPolarHBondContact O-CB 3.44Å; E44-M48 PolarHBondContact O-N 2.95Å; E45-M48 PolarHBondContact O-N 2.99Å; M48-E51 PolarHBondContact O-N 3.44Å; M48-R52 WeakPolarHBondContact O-CB 3.27Å; M48-R52 VanDerWaalsContact O-CG 3.26Å; M48-R52 WeakPolarHBondContact O-CG 3.47Å; M48-R52 PolarHBondContact O-N 3.48Å; M48-R52 PolarHBondContact SD-NH2 3.28Å
49	M	64.8	Low	62.9	Low	12 Å²	12	74.4 Å²	74.4	6%	0.059	39%	0.389	C	S	.	.	H	α-helix	trans	-72.3	-38.7	179.9	-66.9	-66.8	-102	0	0	111.9	E45 L46 E47 E51 R52 L53 A64 E67	E45-M49 WeakPolarHBondContact O-CB 3.24Å; E45-M49 WeakPolarHBondContact O-CG 3.44Å; E45-M49 PolarHBondContact O-N 3.46Å; L46-M49 PolarHBondContact O-N 3.28Å; E47-M49 VanDerWaalsContact C-N 3.25Å; E47-M49 PolarHBondContact O-N 3.05Å; M49-E51 VanDerWaalsContact C-N 3.34Å; M49-R52 PolarHBondContact O-N 3.49Å; M49-L53 WeakPolarHBondContact O-CD1 3.43Å; M49-L53 PolarHBondContact O-N 3.28Å; M49-A64 HydrophobicContact CE-CB 4.22Å; M49-A64 WeakPolarHBondContact CE-O 3.25Å; M49-A64 HydrophobicContact SD-CB 4.26Å; M49-E67 HydrophobicContact CE-CB 3.53Å; M49-E67 HydrophobicContact CE-CG 3.87Å
50	V	64.8	Low	63.1	Low	4 Å²	4	76.6 Å²	76.6	2%	0.024	40%	0.401	C	S	.	.	H	α-helix	trans	-66.7	-36	173	176.5	0	0	0	0	111.6	L46 E47 L53 G54 L89 H92 L96	L46-V50 WeakPolarHBondContact O-CG2 3.41Å; L46-V50 PolarHBondContact O-N 3.41Å; E47-V50 PolarHBondContact O-N 3.13Å; V50-L53 WeakPolarHBondContact O-CB 3.46Å; V50-L53 PolarHBondContact O-N 2.77Å; V50-G54 PolarHBondContact O-N 3.02Å; V50-L89 HydrophobicContact CG2-CD2 3.98Å; V50-H92 HydrophobicContact CG1-CB 3.99Å; V50-H92 WeakPolarHBondContact CG1-ND1 3.37Å; V50-H92 HydrophobicContact CG2-CB 4.05Å; V50-L96 HydrophobicContact CG2-CD1 4.41Å
51	E	68.3	Low	63.2	Low	135 Å²	135	73.4 Å²	73.4	63%	0.631	39%	0.386	S	S	*	.	H	α-helix	trans	-67.1	-40.3	174.2	-74.1	-171.6	162.4	0	0	112.4	E47 M48 M49 L53 G54 E55	E47-E51 WeakPolarHBondContact O-CG 3.18Å; E47-E51 PolarHBondContact O-N 3.02Å; M48-E51 PolarHBondContact O-N 3.44Å; M49-E51 VanDerWaalsContact C-N 3.34Å; E51-L53 PolarHBondContact O-N 3.1Å; E51-G54 WeakPolarHBondContact O-CA 3.08Å; E51-G54 PolarHBondContact O-N 3.45Å; E51-E55 PolarHBondContact O-N 2.89Å
52	R	64.5	Low	63	Low	112 Å²	112	72.5 Å²	72.5	42%	0.423	38%	0.378	S	S	.	.	H	α-helix	trans	-62.5	-30.9	172.1	-74.4	171.6	176.7	-178.9	0.4	112.9	M48 M49 G54 E55	M48-R52 WeakPolarHBondContact O-CB 3.27Å; M48-R52 VanDerWaalsContact O-CG 3.26Å; M48-R52 WeakPolarHBondContact O-CG 3.47Å; M48-R52 PolarHBondContact O-N 3.48Å; M48-R52 PolarHBondContact SD-NH2 3.28Å; M49-R52 PolarHBondContact O-N 3.49Å; R52-G54 PolarHBondContact O-N 3.17Å; R52-E55 PolarHBondContact O-N 3.37Å
53	L	60.3	Low	63.2	Low	1 Å²	1	73.9 Å²	73.9	1%	0.005	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-12.8	169.9	-93.1	137.9	0	0	0	112.9	M49 V50 E51 Y61 A64 L65 I99	M49-L53 WeakPolarHBondContact O-CD1 3.43Å; M49-L53 PolarHBondContact O-N 3.28Å; V50-L53 WeakPolarHBondContact O-CB 3.46Å; V50-L53 PolarHBondContact O-N 2.77Å; E51-L53 PolarHBondContact O-N 3.1Å; L53-Y61 HydrophobicContact CB-CD1 4.49Å; L53-Y61 HydrophobicContact CB-CE1 4.29Å; L53-Y61 HydrophobicContact CD2-CD1 3.51Å; L53-Y61 HydrophobicContact CD2-CE1 3.86Å; L53-Y61 HydrophobicContact CG-CD1 4.07Å; L53-Y61 HydrophobicContact CG-CE1 4.35Å; L53-Y61 WeakPolarHBondContact O-CE1 3.41Å; L53-Y61 VanDerWaalsContact O-CZ 3.26Å; L53-Y61 PolarHBondContact O-OH 2.96Å; L53-A64 HydrophobicContact CD1-CB 4.24Å; L53-A64 HydrophobicContact CG-CB 4.44Å; L53-L65 HydrophobicContact CD1-CD2 4.26Å; L53-L65 HydrophobicContact CD2-CD1 4.46Å; L53-L65 HydrophobicContact CD2-CD2 3.88Å; L53-L65 HydrophobicContact CD2-CG 4.08Å; L53-I99 HydrophobicContact CB-CD1 4.31Å; L53-I99 HydrophobicContact CD2-CG2 4.49Å; L53-I99 WeakPolarHBondContact O-CD1 3.49Å; L53-I99 WeakPolarHBondContact O-CG2 3.22Å
54	G	57.1	Low	63.3	Low	50 Å²	50	71.1 Å²	71.1	52%	0.515	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-9.2	172.3	0	0	0	0	0	114.3	V50 E51 R52	V50-G54 PolarHBondContact O-N 3.02Å; E51-G54 WeakPolarHBondContact O-CA 3.08Å; E51-G54 PolarHBondContact O-N 3.45Å; R52-G54 PolarHBondContact O-N 3.17Å
55	E	67.9	Low	63.1	Low	102 Å²	102	65 Å²	65	48%	0.477	35%	0.348	S	S	.	.	S	Bend	trans	-79.5	151.9	-179.9	-69.8	179.6	164.2	0	0	111.6	E51 R52 D57 Y61	E51-E55 PolarHBondContact O-N 2.89Å; R52-E55 PolarHBondContact O-N 3.37Å; E55-D57 PolarHBondContact O-N 3.35Å; E55-D57 VanDerWaalsContact O-N 3.17Å; E55-Y61 WeakPolarHBondContact O-CE2 3.46Å; E55-Y61 PolarHBondContact O-OH 3.17Å
56	T	49.9	Very low	63.1	Low	136 Å²	136	65.9 Å²	65.9	83%	0.834	35%	0.353	S	S	*	.	S	Bend	trans	-72.3	-6	-172.4	44	0	0	0	0	114.9	T58	T56-T58 PolarHBondContact O-N 2.95Å
57	D	53	Low	63.2	Low	102 Å²	102	69.2 Å²	69.2	55%	0.545	37%	0.368	S	S	.	.			trans	-90.1	107.8	-172.1	-87.5	-25.1	0	0	0	113.2	E55 S59 L60 Y61	E55-D57 PolarHBondContact O-N 3.35Å; E55-D57 VanDerWaalsContact O-N 3.17Å; D57-S59 PolarHBondContact O-N 3.42Å; D57-L60 HydrophobicContact CB-CD1 4.01Å; D57-L60 HydrophobicContact CB-CG 4.47Å; D57-L60 PolarHBondContact O-N 3.36Å; D57-L60 VanDerWaalsContact O-N 3.13Å; D57-Y61 VanDerWaalsContact O-CD2 3.24Å; D57-Y61 WeakPolarHBondContact O-CD2 3.49Å
58	T	57.3	Low	63.2	Low	96 Å²	96	66 Å²	66	59%	0.589	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-16.4	-177.9	-3.2	0	0	0	0	114.6	T56	T56-T58 PolarHBondContact O-N 2.95Å
59	S	55.3	Low	62.9	Low	104 Å²	104	64 Å²	64	73%	0.727	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-22.3	179.4	-65.6	0	0	0	0	113.8	D57 P63	D57-S59 PolarHBondContact O-N 3.42Å; S59-P63 VanDerWaalsContact O-CD 3.28Å; S59-P63 WeakPolarHBondContact O-CD 3.44Å
60	L	60.4	Low	63.3	Low	77 Å²	77	70.7 Å²	70.7	40%	0.403	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-17.6	-178.5	-69.2	166.7	0	0	0	112.8	D57 R62 P63 A64	D57-L60 HydrophobicContact CB-CD1 4.01Å; D57-L60 HydrophobicContact CB-CG 4.47Å; D57-L60 PolarHBondContact O-N 3.36Å; D57-L60 VanDerWaalsContact O-N 3.13Å; L60-R62 PolarHBondContact O-N 3.44Å; L60-P63 WeakPolarHBondContact O-CD 3.5Å; L60-A64 VanDerWaalsContact O-CB 3.31Å; L60-A64 WeakPolarHBondContact O-CB 3.26Å; L60-A64 PolarHBondContact O-N 3.49Å
61	Y	63.3	Low	63.4	Low	27 Å²	27	71.7 Å²	71.7	11%	0.106	37%	0.37	C	S	.	.	H	α-helix	trans	-60.7	-43.9	176.9	-78.4	-83.1	0	0	0	113.2	L53 E55 D57 A64 L65 I99 M103	L53-Y61 HydrophobicContact CB-CD1 4.49Å; L53-Y61 HydrophobicContact CB-CE1 4.29Å; L53-Y61 HydrophobicContact CD2-CD1 3.51Å; L53-Y61 HydrophobicContact CD2-CE1 3.86Å; L53-Y61 HydrophobicContact CG-CD1 4.07Å; L53-Y61 HydrophobicContact CG-CE1 4.35Å; L53-Y61 WeakPolarHBondContact O-CE1 3.41Å; L53-Y61 VanDerWaalsContact O-CZ 3.26Å; L53-Y61 PolarHBondContact O-OH 2.96Å; E55-Y61 WeakPolarHBondContact O-CE2 3.46Å; E55-Y61 PolarHBondContact O-OH 3.17Å; D57-Y61 VanDerWaalsContact O-CD2 3.24Å; D57-Y61 WeakPolarHBondContact O-CD2 3.49Å; Y61-A64 PolarHBondContact O-N 3.19Å; Y61-L65 WeakPolarHBondContact O-CB 3.33Å; Y61-L65 VanDerWaalsContact O-CD1 3.29Å; Y61-L65 WeakPolarHBondContact O-CD1 3.28Å; Y61-L65 WeakPolarHBondContact O-CG 3.46Å; Y61-L65 PolarHBondContact O-N 2.85Å; Y61-I99 HydrophobicContact CE1-CG2 3.88Å; Y61-M103 HydrophobicContact CD1-CE 3.09Å; Y61-M103 HydrophobicContact CD2-CE 4.18Å; Y61-M103 HydrophobicContact CE1-CE 3.2Å; Y61-M103 HydrophobicContact CE2-CE 4.3Å; Y61-M103 HydrophobicContact CG-CE 3.61Å
62	R	61.3	Low	63.3	Low	96 Å²	96	65.4 Å²	65.4	36%	0.362	34%	0.34	S	S	.	.	H	α-helix	trans	-70	-46.5	-172.6	-165.3	162.1	-171.1	143.5	-12.5	113.3	L60 A64 L65 E66 E107 N108	L60-R62 PolarHBondContact O-N 3.44Å; R62-A64 VanDerWaalsContact C-N 3.33Å; R62-A64 PolarHBondContact O-N 3.27Å; R62-L65 PolarHBondContact O-N 3.43Å; R62-E66 IonicContact NE-OE1 2.83Å; R62-E66 WeakPolarHBondContact O-CB 3.46Å; R62-E66 WeakPolarHBondContact O-CG 3.39Å; R62-E66 PolarHBondContact O-N 2.97Å; R62-E107 IonicContact CZ-OE2 2.84Å; R62-E107 IonicContact NH1-OE2 3.7Å; R62-E107 PolarHBondContact NH1-OE2 3.24Å; R62-E107 IonicContact NH2-OE2 2.82Å; R62-E107 PolarHBondContact NH2-OE2 2.97Å; R62-N108 PolarHBondContact NH1-OD1 3.05Å
63	P	70.2	Confident	63.2	Low	67 Å²	67	63.4 Å²	63.4	44%	0.435	33%	0.333	S	S	.	.	H	α-helix	trans	-62.2	-39.1	172.7	-22.5	34	0	0	0	112.8	S59 L60 E66 E67	S59-P63 VanDerWaalsContact O-CD 3.28Å; S59-P63 WeakPolarHBondContact O-CD 3.44Å; L60-P63 WeakPolarHBondContact O-CD 3.5Å; P63-E66 PolarHBondContact O-N 3.32Å; P63-E67 WeakPolarHBondContact O-CB 3.49Å; P63-E67 PolarHBondContact O-N 3.43Å
64	A	66.2	Low	63.3	Low	4 Å²	4	67 Å²	67	3%	0.033	36%	0.358	C	S	.	.	H	α-helix	trans	-63.8	-42.5	179.1	0	0	0	0	0	112.1	M49 L53 L60 Y61 R62 L68	M49-A64 HydrophobicContact CE-CB 4.22Å; M49-A64 WeakPolarHBondContact CE-O 3.25Å; M49-A64 HydrophobicContact SD-CB 4.26Å; L53-A64 HydrophobicContact CD1-CB 4.24Å; L53-A64 HydrophobicContact CG-CB 4.44Å; L60-A64 VanDerWaalsContact O-CB 3.31Å; L60-A64 WeakPolarHBondContact O-CB 3.26Å; L60-A64 PolarHBondContact O-N 3.49Å; Y61-A64 PolarHBondContact O-N 3.19Å; R62-A64 VanDerWaalsContact C-N 3.33Å; R62-A64 PolarHBondContact O-N 3.27Å; A64-L68 VanDerWaalsContact O-CB 3.22Å; A64-L68 WeakPolarHBondContact O-CB 3.46Å; A64-L68 PolarHBondContact O-N 3.03Å
65	L	65.3	Low	63.3	Low	1 Å²	1	66.3 Å²	66.3	1%	0.005	35%	0.345	C	S	.	.	H	α-helix	trans	-70.9	-38.5	177.3	-69.3	161.1	0	0	0	113.1	L53 Y61 R62 R69 F111 C112 V115	L53-L65 HydrophobicContact CD1-CD2 4.26Å; L53-L65 HydrophobicContact CD2-CD1 4.46Å; L53-L65 HydrophobicContact CD2-CD2 3.88Å; L53-L65 HydrophobicContact CD2-CG 4.08Å; Y61-L65 WeakPolarHBondContact O-CB 3.33Å; Y61-L65 VanDerWaalsContact O-CD1 3.29Å; Y61-L65 WeakPolarHBondContact O-CD1 3.28Å; Y61-L65 WeakPolarHBondContact O-CG 3.46Å; Y61-L65 PolarHBondContact O-N 2.85Å; R62-L65 PolarHBondContact O-N 3.43Å; L65-R69 VanDerWaalsContact O-CB 3.32Å; L65-R69 WeakPolarHBondContact O-CB 3.44Å; L65-R69 PolarHBondContact O-N 3.02Å; L65-F111 HydrophobicContact CB-CD1 3.78Å; L65-F111 HydrophobicContact CB-CE1 4.05Å; L65-F111 HydrophobicContact CD1-CD1 4.39Å; L65-C112 WeakPolarHBondContact CD1-SG 3.39Å; L65-V115 HydrophobicContact CD2-CB 4.5Å; L65-V115 HydrophobicContact CD2-CG2 4.25Å
66	E	69.5	Low	62.6	Low	100 Å²	100	63 Å²	63	47%	0.467	33%	0.332	S	S	.	.	H	α-helix	trans	-66.2	-38.8	177.6	-79.3	-179.1	-175.9	0	0	112.4	R62 P63 R69 R70 F111	R62-E66 IonicContact NE-OE1 2.83Å; R62-E66 WeakPolarHBondContact O-CB 3.46Å; R62-E66 WeakPolarHBondContact O-CG 3.39Å; R62-E66 PolarHBondContact O-N 2.97Å; P63-E66 PolarHBondContact O-N 3.32Å; E66-R69 WeakPolarHBondContact O-CB 3.29Å; E66-R69 PolarHBondContact O-N 3.34Å; E66-R70 PolarHBondContact O-N 3.45Å; E66-F111 HydrophobicContact CG-CE1 4.12Å; E66-F111 HydrophobicContact CG-CZ 4.1Å
67	E	69.4	Low	62.7	Low	75 Å²	75	62.2 Å²	62.2	35%	0.35	33%	0.328	S	S	.	.	H	α-helix	trans	-77.2	-36	179.6	-167.8	136.5	-137.5	0	0	111.9	M49 P63 R69 R70 Q71	M49-E67 HydrophobicContact CE-CB 3.53Å; M49-E67 HydrophobicContact CE-CG 3.87Å; P63-E67 WeakPolarHBondContact O-CB 3.49Å; P63-E67 PolarHBondContact O-N 3.43Å; E67-R69 VanDerWaalsContact C-N 3.31Å; E67-R69 PolarHBondContact O-N 3.19Å; E67-R70 PolarHBondContact O-N 3.47Å; E67-R70 IonicContact OE1-CZ 3.29Å; E67-R70 VanDerWaalsContact OE1-CZ 3.29Å; E67-R70 IonicContact OE1-NH1 3.36Å; E67-R70 PolarHBondContact OE1-NH1 3.33Å; E67-R70 IonicContact OE1-NH2 2.69Å; E67-R70 PolarHBondContact OE1-NH2 2.9Å; E67-Q71 WeakPolarHBondContact O-CG 3.19Å; E67-Q71 PolarHBondContact O-N 2.93Å
68	L	68.1	Low	62.5	Low	1 Å²	1	60.4 Å²	60.4	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-57.8	-44.2	168.6	-174.2	66.7	0	0	0	111.2	L46 A64 Q71 I72 L89 V115	L46-L68 HydrophobicContact CD2-CD1 3.33Å; A64-L68 VanDerWaalsContact O-CB 3.22Å; A64-L68 WeakPolarHBondContact O-CB 3.46Å; A64-L68 PolarHBondContact O-N 3.03Å; L68-Q71 PolarHBondContact O-N 3.42Å; L68-I72 HydrophobicContact CG-CD1 4.12Å; L68-I72 VanDerWaalsContact O-CG1 3.27Å; L68-I72 WeakPolarHBondContact O-CG1 3.29Å; L68-I72 PolarHBondContact O-N 2.79Å; L68-L89 HydrophobicContact CD1-CD1 4.1Å; L68-L89 HydrophobicContact CD1-CD2 4.24Å; L68-V115 HydrophobicContact CD2-CG1 3.62Å; L68-V115 HydrophobicContact CG-CG1 4.46Å
69	R	64.9	Low	61.6	Low	42 Å²	42	64.1 Å²	64.1	16%	0.158	34%	0.335	C	S	.	.	H	α-helix	trans	-61.8	-44.2	173.3	166	-179.9	154.3	156.8	-1.4	112.4	L65 E66 E67 Q71 I72 R73 F111 E139 W144	L65-R69 VanDerWaalsContact O-CB 3.32Å; L65-R69 WeakPolarHBondContact O-CB 3.44Å; L65-R69 PolarHBondContact O-N 3.02Å; E66-R69 WeakPolarHBondContact O-CB 3.29Å; E66-R69 PolarHBondContact O-N 3.34Å; E67-R69 VanDerWaalsContact C-N 3.31Å; E67-R69 PolarHBondContact O-N 3.19Å; R69-Q71 VanDerWaalsContact C-N 3.29Å; R69-Q71 PolarHBondContact O-N 2.95Å; R69-I72 PolarHBondContact O-N 3.42Å; R69-R73 HydrophobicContact CG-CG 4.45Å; R69-R73 VanDerWaalsContact NE-NH2 3.15Å; R69-R73 VanDerWaalsContact NH2-CZ 3.26Å; R69-R73 WeakPolarHBondContact O-CB 3.29Å; R69-R73 WeakPolarHBondContact O-CG 3.43Å; R69-R73 PolarHBondContact O-N 3.13Å; R69-F111 VanDerWaalsContact NH1-CZ 3.32Å; R69-E139 IonicContact CZ-OE1 2.75Å; R69-E139 IonicContact CZ-OE2 3.08Å; R69-E139 IonicContact NH1-OE1 2.78Å; R69-E139 PolarHBondContact NH1-OE1 3.28Å; R69-E139 IonicContact NH1-OE2 2.97Å; R69-E139 PolarHBondContact NH1-OE2 2.96Å; R69-E139 IonicContact NH2-OE1 3.81Å; R69-E139 PolarHBondContact NH2-OE1 3.38Å; R69-E139 IonicContact NH2-OE2 3.34Å; R69-W144 HydrophobicContact CB-CH2 4.15Å; R69-W144 HydrophobicContact CG-CH2 3.86Å; R69-W144 HydrophobicContact CG-CZ2 4.38Å; R69-W144 HydrophobicContact CG-CZ3 4.38Å
70	R	72.1	Confident	61	Low	152 Å²	152	65.2 Å²	65.2	57%	0.574	34%	0.338	S	S	*	.	H	α-helix	trans	-60.8	-40.8	178	-165.9	-175.9	75.6	-157.7	-6.2	111.2	E66 E67 S74	E66-R70 PolarHBondContact O-N 3.45Å; E67-R70 PolarHBondContact O-N 3.47Å; E67-R70 IonicContact OE1-CZ 3.29Å; E67-R70 VanDerWaalsContact OE1-CZ 3.29Å; E67-R70 IonicContact OE1-NH1 3.36Å; E67-R70 PolarHBondContact OE1-NH1 3.33Å; E67-R70 IonicContact OE1-NH2 2.69Å; E67-R70 PolarHBondContact OE1-NH2 2.9Å; R70-S74 WeakPolarHBondContact O-CB 2.96Å; R70-S74 PolarHBondContact O-N 3.3Å; R70-S74 PolarHBondContact O-OG 3.33Å
71	Q	67.8	Low	60.6	Low	25 Å²	25	64.8 Å²	64.8	12%	0.117	34%	0.342	C	S	.	.	H	α-helix	trans	-70	-39.4	177.8	-72.1	-173.8	-9.2	0	0	112.6	E45 E67 L68 R69 S74 S75	E45-Q71 PolarHBondContact OE2-NE2 2.89Å; E67-Q71 WeakPolarHBondContact O-CG 3.19Å; E67-Q71 PolarHBondContact O-N 2.93Å; L68-Q71 PolarHBondContact O-N 3.42Å; R69-Q71 VanDerWaalsContact C-N 3.29Å; R69-Q71 PolarHBondContact O-N 2.95Å; Q71-S74 WeakPolarHBondContact CA-OG 3.35Å; Q71-S74 PolarHBondContact O-OG 3.27Å; Q71-S74 VanDerWaalsContact O-OG 3.1Å; Q71-S75 WeakPolarHBondContact O-CB 3.37Å; Q71-S75 PolarHBondContact O-N 3.12Å; Q71-S75 PolarHBondContact O-OG 3.04Å
72	I	65.3	Low	60.1	Low	3 Å²	3	66.8 Å²	66.8	2%	0.015	36%	0.356	C	S	.	.	H	α-helix	trans	-63.6	-49.9	173.7	-67.8	166.3	0	0	0	110.1	L68 R69 S74 S75 T76 V118 W144	L68-I72 HydrophobicContact CG-CD1 4.12Å; L68-I72 VanDerWaalsContact O-CG1 3.27Å; L68-I72 WeakPolarHBondContact O-CG1 3.29Å; L68-I72 PolarHBondContact O-N 2.79Å; R69-I72 PolarHBondContact O-N 3.42Å; I72-S74 PolarHBondContact O-N 2.94Å; I72-S75 PolarHBondContact O-N 2.88Å; I72-S75 VanDerWaalsContact O-N 3.16Å; I72-T76 PolarHBondContact O-N 3.5Å; I72-T76 VanDerWaalsContact O-N 3.08Å; I72-T76 PolarHBondContact O-OG1 2.84Å; I72-V118 HydrophobicContact CG2-CG1 4.08Å; I72-W144 HydrophobicContact CG2-CE3 4.44Å; I72-W144 HydrophobicContact CG2-CZ3 4.24Å
73	R	62.3	Low	60	Low	70 Å²	70	62.7 Å²	62.7	26%	0.264	34%	0.342	S	S	.	.	H	α-helix	trans	-60.9	-45.6	-179.3	-74	-176.4	177.3	-179.4	3.2	113.5	R69 S75 T76 E139 S143	R69-R73 HydrophobicContact CG-CG 4.45Å; R69-R73 VanDerWaalsContact NE-NH2 3.15Å; R69-R73 VanDerWaalsContact NH2-CZ 3.26Å; R69-R73 WeakPolarHBondContact O-CB 3.29Å; R69-R73 WeakPolarHBondContact O-CG 3.43Å; R69-R73 PolarHBondContact O-N 3.13Å; R73-S75 PolarHBondContact O-N 3.41Å; R73-T76 PolarHBondContact O-N 3Å; R73-E139 IonicContact NH2-OE1 4Å; R73-E139 PolarHBondContact NH2-OE1 3.31Å; R73-S143 WeakPolarHBondContact CD-O 3.34Å; R73-S143 WeakPolarHBondContact CG-O 3.35Å; R73-S143 VanDerWaalsContact CZ-CB 3.44Å; R73-S143 PolarHBondContact NE-O 3.45Å; R73-S143 PolarHBondContact NH2-OG 2.95Å
74	S	63.8	Low	59.5	Low	77 Å²	77	64.7 Å²	64.7	54%	0.538	34%	0.344	S	S	.	.	H	α-helix	trans	-64.9	-23.5	178.5	52	0	0	0	0	113.5	R70 Q71 I72 T77	R70-S74 WeakPolarHBondContact O-CB 2.96Å; R70-S74 PolarHBondContact O-N 3.3Å; R70-S74 PolarHBondContact O-OG 3.33Å; Q71-S74 WeakPolarHBondContact CA-OG 3.35Å; Q71-S74 PolarHBondContact O-OG 3.27Å; Q71-S74 VanDerWaalsContact O-OG 3.1Å; I72-S74 PolarHBondContact O-N 2.94Å; S74-T77 PolarHBondContact O-OG1 2.88Å
75	S	56.5	Low	59.1	Low	35 Å²	35	64.7 Å²	64.7	25%	0.245	34%	0.344	C	S	.	.	H	α-helix	trans	-90.2	-21.5	178	-56.9	0	0	0	0	113.7	Q71 I72 R73 S78	Q71-S75 WeakPolarHBondContact O-CB 3.37Å; Q71-S75 PolarHBondContact O-N 3.12Å; Q71-S75 PolarHBondContact O-OG 3.04Å; I72-S75 PolarHBondContact O-N 2.88Å; I72-S75 VanDerWaalsContact O-N 3.16Å; R73-S75 PolarHBondContact O-N 3.41Å; S75-S78 PolarHBondContact O-OG 3.01Å
76	T	52.2	Low	58.9	Low	32 Å²	32	64.9 Å²	64.9	20%	0.196	35%	0.345	C	S	.	.	H	α-helix	trans	-86.2	-5.1	-173.2	-45	0	0	0	0	113.2	I72 R73 S78 P83	I72-T76 PolarHBondContact O-N 3.5Å; I72-T76 VanDerWaalsContact O-N 3.08Å; I72-T76 PolarHBondContact O-OG1 2.84Å; R73-T76 PolarHBondContact O-N 3Å; T76-S78 PolarHBondContact O-N 3.06Å; T76-S78 VanDerWaalsContact O-N 3.08Å; T76-P83 HydrophobicContact CG2-CG 4.18Å
77	T	53.8	Low	58.5	Low	121 Å²	121	66.5 Å²	66.5	74%	0.742	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-2	174.6	51.2	0	0	0	0	114	S74	S74-T77 PolarHBondContact O-OG1 2.88Å
78	S	47.1	Very low	58.1	Low	64 Å²	64	64.7 Å²	64.7	45%	0.448	34%	0.341	S	S	.	.			trans	-98.7	99.1	-176.9	-24.9	0	0	0	0	110.1	S75 T76 T80	S75-S78 PolarHBondContact O-OG 3.01Å; T76-S78 PolarHBondContact O-N 3.06Å; T76-S78 VanDerWaalsContact O-N 3.08Å; S78-T80 PolarHBondContact O-N 3.23Å
79	M	38.8	Very low	57.7	Low	173 Å²	173	64.7 Å²	64.7	85%	0.852	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	6.4	-169.4	-155.5	-169.1	-179	0	0	117.2
80	T	43.1	Very low	57.4	Low	128 Å²	128	69.9 Å²	69.9	79%	0.785	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.7	0.9	-162.6	57.9	0	0	0	0	116.4	S78	S78-T80 PolarHBondContact O-N 3.23Å
81	S	51.7	Low	56.9	Low	68 Å²	68	67.5 Å²	67.5	48%	0.476	37%	0.365	S	S	.	.	S	Bend	trans	-162.1	137.9	178.8	56.1	0	0	0	0	112.7	P83	S81-P83 WeakPolarHBondContact O-CD 3.39Å
82	V	52.9	Low	56.6	Low	68 Å²	68	67.4 Å²	67.4	41%	0.412	37%	0.365	S	S	.	.			trans	-39.7	114.4	167.8	179.8	0	0	0	0	109.4	K84 T122	V82-K84 PolarHBondContact O-N 2.89Å; V82-T122 HydrophobicContact CG1-CG2 4.21Å
83	P	59.6	Low	56.2	Low	10 Å²	10	68 Å²	68	7%	0.065	37%	0.367	C	S	.	.			trans	-49.1	125.8	-176.6	-30.2	31.2	0	0	0	111.3	T76 S81 P85 L86	T76-P83 HydrophobicContact CG2-CG 4.18Å; S81-P83 WeakPolarHBondContact O-CD 3.39Å; P83-P85 VanDerWaalsContact O-N 3.16Å; P83-L86 HydrophobicContact CB-CD1 4.04Å; P83-L86 HydrophobicContact CB-CG 4.33Å; P83-L86 HydrophobicContact CG-CD1 3.92Å; P83-L86 WeakPolarHBondContact O-CB 3.42Å; P83-L86 PolarHBondContact O-N 3.08Å
84	K	59.8	Low	56.2	Low	110 Å²	110	66.7 Å²	66.7	48%	0.478	38%	0.375	S	S	.	.	H	α-helix	trans	-48.6	-37.2	175.4	-64.8	-179	177.8	-177.8	0	113.6	D39 V82 L86 K87 F88	D39-K84 IonicContact OD1-NZ 2.97Å; D39-K84 PolarHBondContact OD1-NZ 3.31Å; D39-K84 IonicContact OD2-NZ 3.99Å; D39-K84 PolarHBondContact OD2-NZ 3.2Å; V82-K84 PolarHBondContact O-N 2.89Å; K84-L86 VanDerWaalsContact C-N 3.27Å; K84-L86 PolarHBondContact O-N 3.16Å; K84-K87 WeakPolarHBondContact O-CB 3.41Å; K84-K87 PolarHBondContact O-N 3.33Å; K84-K87 VanDerWaalsContact O-N 3.07Å; K84-F88 HydrophobicContact CB-CE2 4.3Å; K84-F88 WeakPolarHBondContact O-CD2 3.38Å; K84-F88 PolarHBondContact O-N 2.82Å
85	P	58.3	Low	56.1	Low	4 Å²	4	68.4 Å²	68.4	3%	0.026	37%	0.372	C	S	.	.	H	α-helix	trans	-53.7	-40.1	173.2	-27.6	33.9	0	0	0	114	L42 L46 P83 K87 F88 L89	L42-P85 HydrophobicContact CD2-CG 4.14Å; L46-P85 HydrophobicContact CD1-CB 4.11Å; P83-P85 VanDerWaalsContact O-N 3.16Å; P85-K87 VanDerWaalsContact C-N 3.3Å; P85-K87 PolarHBondContact O-N 2.93Å; P85-F88 PolarHBondContact O-N 3.08Å; P85-L89 WeakPolarHBondContact O-CD1 3.41Å; P85-L89 PolarHBondContact O-N 2.6Å
86	L	59.3	Low	56.4	Low	4 Å²	4	67 Å²	67	2%	0.021	36%	0.363	C	S	.	.	H	α-helix	trans	-68	-30	-180	-69.1	166.8	0	0	0	112.2	P83 K84 R90 V118 L119 M121 T122	P83-L86 HydrophobicContact CB-CD1 4.04Å; P83-L86 HydrophobicContact CB-CG 4.33Å; P83-L86 HydrophobicContact CG-CD1 3.92Å; P83-L86 WeakPolarHBondContact O-CB 3.42Å; P83-L86 PolarHBondContact O-N 3.08Å; K84-L86 VanDerWaalsContact C-N 3.27Å; K84-L86 PolarHBondContact O-N 3.16Å; L86-R90 PolarHBondContact O-N 3.03Å; L86-V118 HydrophobicContact CD2-CG1 4.39Å; L86-L119 HydrophobicContact CD2-CD2 3.95Å; L86-L119 HydrophobicContact CD2-CG 4.43Å; L86-M121 HydrophobicContact CD1-CE 4.08Å; L86-T122 HydrophobicContact CB-CG2 3.64Å; L86-T122 HydrophobicContact CD1-CG2 4.46Å; L86-T122 HydrophobicContact CG-CG2 4.49Å
87	K	62.8	Low	56.9	Low	134 Å²	134	68.7 Å²	68.7	58%	0.583	37%	0.367	S	S	*	.	H	α-helix	trans	-68.4	-38.4	173.4	-66.9	-177.3	-178.4	175.8	0	111.8	K84 P85 R90	K84-K87 WeakPolarHBondContact O-CB 3.41Å; K84-K87 PolarHBondContact O-N 3.33Å; K84-K87 VanDerWaalsContact O-N 3.07Å; P85-K87 VanDerWaalsContact C-N 3.3Å; P85-K87 PolarHBondContact O-N 2.93Å; K87-R90 WeakPolarHBondContact O-CB 3.16Å
88	F	60.4	Low	57.5	Low	38 Å²	38	69.7 Å²	69.7	17%	0.167	36%	0.363	C	S	.	.	H	α-helix	trans	-75.9	-30.4	179.3	-62.2	-45.7	0	0	0	113.1	L35 D39 Q43 L46 K84 P85 R90 P91	L35-F88 HydrophobicContact CD2-CE1 4.17Å; L35-F88 HydrophobicContact CD2-CZ 3.97Å; L35-F88 HydrophobicContact CG-CZ 4.43Å; D39-F88 HydrophobicContact CB-CE2 4.46Å; D39-F88 HydrophobicContact CB-CZ 4.44Å; Q43-F88 HydrophobicContact CB-CD2 4.46Å; Q43-F88 HydrophobicContact CB-CG 4.35Å; Q43-F88 HydrophobicContact CG-CB 4.36Å; Q43-F88 HydrophobicContact CG-CD1 4.32Å; Q43-F88 HydrophobicContact CG-CG 4.32Å; L46-F88 HydrophobicContact CD1-CB 4.3Å; K84-F88 HydrophobicContact CB-CE2 4.3Å; K84-F88 WeakPolarHBondContact O-CD2 3.38Å; K84-F88 PolarHBondContact O-N 2.82Å; P85-F88 PolarHBondContact O-N 3.08Å; F88-R90 VanDerWaalsContact C-N 3.33Å; F88-R90 PolarHBondContact O-N 3.39Å; F88-P91 WeakPolarHBondContact O-CD 3.36Å
89	L	59.1	Low	58.2	Low	1 Å²	1	68 Å²	68	1%	0.005	35%	0.349	C	S	.	.	H	α-helix	trans	-78.6	-11.9	175.8	-81.6	147	0	0	0	114.3	L46 V50 L68 P85 P91 H92 Y93 L119	L46-L89 HydrophobicContact CD1-CD1 4.23Å; L46-L89 HydrophobicContact CD1-CG 4.4Å; L46-L89 HydrophobicContact CD2-CD1 3.96Å; L46-L89 HydrophobicContact CD2-CG 4.4Å; V50-L89 HydrophobicContact CG2-CD2 3.98Å; L68-L89 HydrophobicContact CD1-CD1 4.1Å; L68-L89 HydrophobicContact CD1-CD2 4.24Å; P85-L89 WeakPolarHBondContact O-CD1 3.41Å; P85-L89 PolarHBondContact O-N 2.6Å; L89-P91 VanDerWaalsContact C-CD 3.47Å; L89-H92 PolarHBondContact O-N 3.31Å; L89-Y93 PolarHBondContact O-N 3.36Å; L89-L119 HydrophobicContact CB-CD2 3.3Å; L89-L119 HydrophobicContact CD1-CD2 3.98Å; L89-L119 HydrophobicContact CD2-CD1 4.44Å; L89-L119 HydrophobicContact CD2-CD2 4.31Å; L89-L119 HydrophobicContact CG-CD2 4.05Å
90	R	59.2	Low	59.1	Low	151 Å²	151	61 Å²	61	57%	0.57	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-54.3	-41.4	-178.2	-166.2	-179.5	-174.2	-168.3	2.5	114.9	L86 K87 F88 H92	L86-R90 PolarHBondContact O-N 3.03Å; K87-R90 WeakPolarHBondContact O-CB 3.16Å; F88-R90 VanDerWaalsContact C-N 3.33Å; F88-R90 PolarHBondContact O-N 3.39Å; R90-H92 VanDerWaalsContact C-N 3.27Å; R90-H92 PolarHBondContact O-N 3.43Å
91	P	62.3	Low	60	Low	101 Å²	101	61.4 Å²	61.4	66%	0.656	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-71.2	-20.4	177.1	-16.9	32.8	0	0	0	113.7	F88 L89	F88-P91 WeakPolarHBondContact O-CD 3.36Å; L89-P91 VanDerWaalsContact C-CD 3.47Å
92	H	59.9	Low	60	Low	24 Å²	24	61.5 Å²	61.5	11%	0.111	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-90.3	-7.8	-175.7	-70.5	-87	0	0	0	113.5	V50 L89 R90 G94 K95 L96	V50-H92 HydrophobicContact CG1-CB 3.99Å; V50-H92 WeakPolarHBondContact CG1-ND1 3.37Å; V50-H92 HydrophobicContact CG2-CB 4.05Å; L89-H92 PolarHBondContact O-N 3.31Å; R90-H92 VanDerWaalsContact C-N 3.27Å; R90-H92 PolarHBondContact O-N 3.43Å; H92-G94 VanDerWaalsContact C-N 3.31Å; H92-G94 PolarHBondContact O-N 2.87Å; H92-K95 PolarHBondContact O-N 3.23Å; H92-K95 VanDerWaalsContact O-N 3.09Å; H92-L96 HydrophobicContact CB-CD1 4.37Å; H92-L96 PolarHBondContact O-N 3.39Å
93	Y	58.6	Low	60.3	Low	15 Å²	15	59.3 Å²	59.3	6%	0.059	30%	0.303	C	S	.	.	H	α-helix	trans	-56.1	-41.5	180	-172.3	-104.4	0	0	0	113.2	L89 K95 L96 K97 V116 L119 A120 M123 E128	L89-Y93 PolarHBondContact O-N 3.36Å; Y93-K95 PolarHBondContact O-N 2.86Å; Y93-L96 PolarHBondContact O-N 3.06Å; Y93-K97 PolarHBondContact O-N 2.98Å; Y93-V116 HydrophobicContact CE2-CG1 4.05Å; Y93-L119 HydrophobicContact CD2-CB 4.08Å; Y93-L119 HydrophobicContact CE2-CB 4.31Å; Y93-A120 HydrophobicContact CE2-CB 4.18Å; Y93-M123 HydrophobicContact CD1-SD 3.79Å; Y93-M123 HydrophobicContact CE1-SD 4.25Å; Y93-E128 VanDerWaalsContact CE1-OE2 3.26Å; Y93-E128 WeakPolarHBondContact CE1-OE2 3.36Å; Y93-E128 VanDerWaalsContact CZ-OE2 3.31Å; Y93-E128 PolarHBondContact OH-OE2 3.21Å
94	G	61.7	Low	59.6	Low	42 Å²	42	62.4 Å²	62.4	43%	0.433	33%	0.33	S	S	.	.	H	α-helix	trans	-62.7	-40.3	176.2	0	0	0	0	0	113.2	H92 K97 E98	H92-G94 VanDerWaalsContact C-N 3.31Å; H92-G94 PolarHBondContact O-N 2.87Å; G94-K97 PolarHBondContact O-N 2.94Å; G94-E98 PolarHBondContact O-N 3.07Å
95	K	62.1	Low	58.7	Low	113 Å²	113	63 Å²	63	49%	0.491	35%	0.345	S	S	.	.	H	α-helix	trans	-68.8	-40.6	176.8	-69.1	-179	177	179.2	0	111.6	H92 Y93 K97 E98 I99	H92-K95 PolarHBondContact O-N 3.23Å; H92-K95 VanDerWaalsContact O-N 3.09Å; Y93-K95 PolarHBondContact O-N 2.86Å; K95-K97 VanDerWaalsContact C-N 3.28Å; K95-K97 PolarHBondContact O-N 3.24Å; K95-E98 PolarHBondContact O-N 3.28Å; K95-I99 WeakPolarHBondContact O-CB 3.49Å; K95-I99 VanDerWaalsContact O-CD1 3.31Å; K95-I99 WeakPolarHBondContact O-CD1 3.35Å; K95-I99 WeakPolarHBondContact O-CG1 3.45Å; K95-I99 PolarHBondContact O-N 3.2Å
96	L	62.7	Low	58.7	Low	7 Å²	7	65 Å²	65	4%	0.037	37%	0.367	C	S	.	.	H	α-helix	trans	-63.5	-33.2	176.4	-80.9	152.5	0	0	0	112.5	V50 H92 Y93 Y100 V116 L119	V50-L96 HydrophobicContact CG2-CD1 4.41Å; H92-L96 HydrophobicContact CB-CD1 4.37Å; H92-L96 PolarHBondContact O-N 3.39Å; Y93-L96 PolarHBondContact O-N 3.06Å; L96-Y100 VanDerWaalsContact O-CB 3.32Å; L96-Y100 WeakPolarHBondContact O-CB 3.34Å; L96-Y100 PolarHBondContact O-N 3.11Å; L96-V116 HydrophobicContact CB-CG2 4.4Å; L96-L119 HydrophobicContact CD1-CD1 3.87Å
97	K	62.2	Low	58.5	Low	66 Å²	66	70.9 Å²	70.9	29%	0.287	39%	0.394	S	S	.	.	H	α-helix	trans	-68.5	-44.2	173.7	-171.4	171.3	-179.6	170.2	0	112.5	Y93 G94 K95 I99 Y100 E101 E128	Y93-K97 PolarHBondContact O-N 2.98Å; G94-K97 PolarHBondContact O-N 2.94Å; K95-K97 VanDerWaalsContact C-N 3.28Å; K95-K97 PolarHBondContact O-N 3.24Å; K97-I99 VanDerWaalsContact C-N 3.33Å; K97-I99 PolarHBondContact O-N 2.88Å; K97-Y100 WeakPolarHBondContact O-CB 3.4Å; K97-Y100 PolarHBondContact O-N 3.24Å; K97-E101 PolarHBondContact O-N 2.62Å; K97-E128 IonicContact NZ-OE1 3.05Å; K97-E128 PolarHBondContact NZ-OE1 3.46Å
98	E	65.2	Low	58.2	Low	142 Å²	142	66.1 Å²	66.1	66%	0.664	38%	0.375	S	S	*	.	H	α-helix	trans	-62.8	-39.4	174.3	-69.8	175.4	177.6	0	0	111.8	G94 K95 E101 G102	G94-E98 PolarHBondContact O-N 3.07Å; K95-E98 PolarHBondContact O-N 3.28Å; E98-E101 PolarHBondContact O-N 2.86Å; E98-G102 PolarHBondContact O-N 2.88Å
99	I	61.9	Low	58.2	Low	30 Å²	30	66.8 Å²	66.8	15%	0.154	38%	0.378	C	S	.	.	H	α-helix	trans	-65.5	-39.6	174.8	-68.3	160.8	0	0	0	110.9	L53 Y61 K95 K97 G102 M103	L53-I99 HydrophobicContact CB-CD1 4.31Å; L53-I99 HydrophobicContact CD2-CG2 4.49Å; L53-I99 WeakPolarHBondContact O-CD1 3.49Å; L53-I99 WeakPolarHBondContact O-CG2 3.22Å; Y61-I99 HydrophobicContact CE1-CG2 3.88Å; K95-I99 WeakPolarHBondContact O-CB 3.49Å; K95-I99 VanDerWaalsContact O-CD1 3.31Å; K95-I99 WeakPolarHBondContact O-CD1 3.35Å; K95-I99 WeakPolarHBondContact O-CG1 3.45Å; K95-I99 PolarHBondContact O-N 3.2Å; K97-I99 VanDerWaalsContact C-N 3.33Å; K97-I99 PolarHBondContact O-N 2.88Å; I99-G102 PolarHBondContact O-N 2.92Å; I99-M103 HydrophobicContact CG2-CE 4.45Å; I99-M103 WeakPolarHBondContact O-CB 3.45Å; I99-M103 PolarHBondContact O-N 2.83Å; I99-M103 VanDerWaalsContact O-N 3.15Å
100	Y	58.5	Low	58.3	Low	24 Å²	24	68 Å²	68	9%	0.094	39%	0.386	C	S	.	.	H	α-helix	trans	-65.5	-39.9	176	177.9	-97.7	0	0	0	112.9	L96 K97 K109 C112 A113 Y132 L135	L96-Y100 VanDerWaalsContact O-CB 3.32Å; L96-Y100 WeakPolarHBondContact O-CB 3.34Å; L96-Y100 PolarHBondContact O-N 3.11Å; K97-Y100 WeakPolarHBondContact O-CB 3.4Å; K97-Y100 PolarHBondContact O-N 3.24Å; Y100-K109 HydrophobicContact CD2-CG 4.1Å; Y100-K109 HydrophobicContact CE2-CD 4.41Å; Y100-K109 HydrophobicContact CE2-CG 3.56Å; Y100-K109 WeakPolarHBondContact CE2-O 3.26Å; Y100-C112 HydrophobicContact CD2-CB 4.24Å; Y100-A113 HydrophobicContact CE2-CB 3.83Å; Y100-Y132 HydrophobicContact CD1-CD1 4.47Å; Y100-Y132 AromaticContact CD1-CE1 3.75Å; Y100-Y132 HydrophobicContact CD1-CE1 3.75Å; Y100-Y132 AromaticContact CE1-CD1 4Å; Y100-Y132 HydrophobicContact CE1-CD1 4Å; Y100-Y132 AromaticContact CE1-CE1 3.5Å; Y100-Y132 HydrophobicContact CE1-CE1 3.5Å; Y100-Y132 HydrophobicContact CG-CE1 4.46Å; Y100-L135 WeakPolarHBondContact OH-CD1 3.49Å
101	E	61.1	Low	58.3	Low	137 Å²	137	62.2 Å²	62.2	64%	0.64	37%	0.365	S	S	*	.	H	α-helix	trans	-70	-32.7	175.7	-72.9	-178.5	-178	0	0	112.3	K97 E98	K97-E101 PolarHBondContact O-N 2.62Å; E98-E101 PolarHBondContact O-N 2.86Å
102	G	53.5	Low	58	Low	70 Å²	70	57.7 Å²	57.7	72%	0.722	34%	0.336	S	S	*	.	H	α-helix	trans	-80.4	-11.8	177.6	0	0	0	0	0	116	E98 I99	E98-G102 PolarHBondContact O-N 2.88Å; I99-G102 PolarHBondContact O-N 2.92Å
103	M	57.8	Low	58	Low	22 Å²	22	56.5 Å²	56.5	11%	0.108	33%	0.331	C	S	.	.	S	Bend	trans	-87.9	137.7	-174.6	-164.9	178.4	-84.3	0	0	113.1	Y61 I99 N108 K109	Y61-M103 HydrophobicContact CD1-CE 3.09Å; Y61-M103 HydrophobicContact CD2-CE 4.18Å; Y61-M103 HydrophobicContact CE1-CE 3.2Å; Y61-M103 HydrophobicContact CE2-CE 4.3Å; Y61-M103 HydrophobicContact CG-CE 3.61Å; I99-M103 HydrophobicContact CG2-CE 4.45Å; I99-M103 WeakPolarHBondContact O-CB 3.45Å; I99-M103 PolarHBondContact O-N 2.83Å; I99-M103 VanDerWaalsContact O-N 3.15Å; M103-N108 HydrophobicContact SD-CB 4Å; M103-K109 PolarHBondContact O-NZ 2.8Å
104	A	45.4	Very low	58.2	Low	76 Å²	76	56.2 Å²	56.2	63%	0.628	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-63.4	148.2	176.3	0	0	0	0	0	112.2	G106	A104-G106 PolarHBondContact O-N 3.19Å
105	P	41.6	Very low	58.3	Low	123 Å²	123	54.2 Å²	54.2	80%	0.799	31%	0.31	S	S	*	.	S	Bend	trans	-66.5	121.1	-179.5	27.6	-33	0	0	0	111
106	G	57.6	Low	58.4	Low	46 Å²	46	49 Å²	49	47%	0.474	29%	0.287	S	S	.	.	S	Bend	trans	-179.6	-178.2	179	0	0	0	0	0	112.2	A104 N108 K109 S110	A104-G106 PolarHBondContact O-N 3.19Å; G106-N108 PolarHBondContact O-N 2.98Å; G106-N108 VanDerWaalsContact O-N 3.12Å; G106-K109 WeakPolarHBondContact O-CB 3.44Å; G106-K109 PolarHBondContact O-N 3Å; G106-S110 PolarHBondContact O-N 3.19Å
107	E	55.1	Low	58.3	Low	126 Å²	126	48.7 Å²	48.7	59%	0.589	29%	0.285	S	S	*	.	H	α-helix	trans	-54.3	-30.9	-179.7	-69.9	178.6	-171.9	0	0	113.5	R62 K109 S110 F111	R62-E107 IonicContact CZ-OE2 2.84Å; R62-E107 IonicContact NH1-OE2 3.7Å; R62-E107 PolarHBondContact NH1-OE2 3.24Å; R62-E107 IonicContact NH2-OE2 2.82Å; R62-E107 PolarHBondContact NH2-OE2 2.97Å; E107-K109 VanDerWaalsContact C-N 3.32Å; E107-S110 WeakPolarHBondContact CA-OG 3.28Å; E107-S110 PolarHBondContact O-OG 2.81Å; E107-F111 VanDerWaalsContact O-CB 3.29Å; E107-F111 WeakPolarHBondContact O-CB 2.82Å; E107-F111 PolarHBondContact O-N 3.33Å
108	N	56.1	Low	58.3	Low	34 Å²	34	45.6 Å²	45.6	18%	0.182	27%	0.272	C	S	.	.	H	α-helix	trans	-71.8	-28.2	177.9	-64.2	-4.4	0	0	0	111.9	R62 M103 G106 C112	R62-N108 PolarHBondContact NH1-OD1 3.05Å; M103-N108 HydrophobicContact SD-CB 4Å; G106-N108 PolarHBondContact O-N 2.98Å; G106-N108 VanDerWaalsContact O-N 3.12Å; N108-C112 VanDerWaalsContact O-CB 3.29Å; N108-C112 WeakPolarHBondContact O-CB 3.45Å; N108-C112 PolarHBondContact O-N 3.48Å; N108-C112 PolarHBondContact O-SG 2.65Å
109	K	61.2	Low	58.1	Low	53 Å²	53	38.9 Å²	38.9	23%	0.23	24%	0.241	C	C	.	.	H	α-helix	trans	-74.3	-41.1	176.6	-170.9	169.5	-171.7	154.6	0	111.3	Y100 M103 G106 E107 F111 C112 A113	Y100-K109 HydrophobicContact CD2-CG 4.1Å; Y100-K109 HydrophobicContact CE2-CD 4.41Å; Y100-K109 HydrophobicContact CE2-CG 3.56Å; Y100-K109 WeakPolarHBondContact CE2-O 3.26Å; M103-K109 PolarHBondContact O-NZ 2.8Å; G106-K109 WeakPolarHBondContact O-CB 3.44Å; G106-K109 PolarHBondContact O-N 3Å; E107-K109 VanDerWaalsContact C-N 3.32Å; K109-F111 VanDerWaalsContact C-N 3.35Å; K109-C112 PolarHBondContact O-N 3.12Å; K109-A113 WeakPolarHBondContact O-CB 3.4Å; K109-A113 PolarHBondContact O-N 3.06Å
110	S	60.1	Low	58	Low	27 Å²	27	37.7 Å²	37.7	19%	0.189	24%	0.235	C	C	.	.	H	α-helix	trans	-64.7	-40.1	172.4	48.4	0	0	0	0	111.6	G106 E107 A113 D114	G106-S110 PolarHBondContact O-N 3.19Å; E107-S110 WeakPolarHBondContact CA-OG 3.28Å; E107-S110 PolarHBondContact O-OG 2.81Å; S110-A113 WeakPolarHBondContact O-CB 3.38Å; S110-A113 PolarHBondContact O-N 3.34Å; S110-A113 VanDerWaalsContact O-N 3.15Å; S110-D114 PolarHBondContact O-N 3.27Å
111	F	59.3	Low	57.9	Low	28 Å²	28	38.2 Å²	38.2	12%	0.123	24%	0.239	C	C	.	.	H	α-helix	trans	-70.4	-36.2	178.2	-148.4	-93.9	0	0	0	112.7	L65 E66 R69 E107 K109 A113 V115	L65-F111 HydrophobicContact CB-CD1 3.78Å; L65-F111 HydrophobicContact CB-CE1 4.05Å; L65-F111 HydrophobicContact CD1-CD1 4.39Å; E66-F111 HydrophobicContact CG-CE1 4.12Å; E66-F111 HydrophobicContact CG-CZ 4.1Å; R69-F111 VanDerWaalsContact NH1-CZ 3.32Å; E107-F111 VanDerWaalsContact O-CB 3.29Å; E107-F111 WeakPolarHBondContact O-CB 2.82Å; E107-F111 PolarHBondContact O-N 3.33Å; K109-F111 VanDerWaalsContact C-N 3.35Å; F111-A113 VanDerWaalsContact C-N 3.34Å; F111-V115 PolarHBondContact O-N 2.89Å
112	C	55.9	Low	57.6	Low	6 Å²	6	33 Å²	33	4%	0.041	22%	0.216	C	C	.	.	H	α-helix	trans	-62.9	-39.6	167.6	-79.6	0	0	0	0	111.6	L65 Y100 N108 K109 D114 V115 V116	L65-C112 WeakPolarHBondContact CD1-SG 3.39Å; Y100-C112 HydrophobicContact CD2-CB 4.24Å; N108-C112 VanDerWaalsContact O-CB 3.29Å; N108-C112 WeakPolarHBondContact O-CB 3.45Å; N108-C112 PolarHBondContact O-N 3.48Å; N108-C112 PolarHBondContact O-SG 2.65Å; K109-C112 PolarHBondContact O-N 3.12Å; C112-D114 VanDerWaalsContact C-N 3.33Å; C112-D114 PolarHBondContact O-N 2.92Å; C112-V115 PolarHBondContact O-N 3.24Å; C112-V116 WeakPolarHBondContact O-CB 3.15Å; C112-V116 WeakPolarHBondContact O-CG2 3.42Å; C112-V116 PolarHBondContact O-N 3.34Å
113	A	59.5	Low	57.3	Low	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-62.8	-39.7	178.7	0	0	0	0	0	111.8	Y100 K109 S110 F111 V116 S117 Y132 L135	Y100-A113 HydrophobicContact CE2-CB 3.83Å; K109-A113 WeakPolarHBondContact O-CB 3.4Å; K109-A113 PolarHBondContact O-N 3.06Å; S110-A113 WeakPolarHBondContact O-CB 3.38Å; S110-A113 PolarHBondContact O-N 3.34Å; S110-A113 VanDerWaalsContact O-N 3.15Å; F111-A113 VanDerWaalsContact C-N 3.34Å; A113-V116 PolarHBondContact O-N 3.4Å; A113-S117 WeakPolarHBondContact O-CB 3.23Å; A113-S117 PolarHBondContact O-N 3.37Å; A113-Y132 WeakPolarHBondContact CB-O 3.42Å; A113-L135 HydrophobicContact CB-CB 4.46Å
114	D	62.9	Low	56.8	Low	8 Å²	8	39.1 Å²	39.1	4%	0.043	24%	0.241	C	C	.	.	H	α-helix	trans	-63.1	-45.3	176.5	-65.4	-36.3	0	0	0	111.9	S110 C112 S117 V118 G136 S137 W144	S110-D114 PolarHBondContact O-N 3.27Å; C112-D114 VanDerWaalsContact C-N 3.33Å; C112-D114 PolarHBondContact O-N 2.92Å; D114-S117 WeakPolarHBondContact O-CB 3.35Å; D114-S117 PolarHBondContact O-N 3.29Å; D114-S117 PolarHBondContact O-OG 3.34Å; D114-V118 WeakPolarHBondContact O-CG2 3.38Å; D114-V118 PolarHBondContact O-N 3.31Å; D114-V118 VanDerWaalsContact O-N 3.15Å; D114-G136 VanDerWaalsContact OD1-CA 3.23Å; D114-G136 WeakPolarHBondContact OD1-CA 3.45Å; D114-S137 PolarHBondContact OD1-N 3.35Å; D114-S137 WeakPolarHBondContact OD2-CB 3.17Å; D114-S137 PolarHBondContact OD2-N 2.97Å; D114-W144 HydrophobicContact CB-CZ2 4.42Å
115	V	64.2	Low	56.8	Low	1 Å²	1	36.9 Å²	36.9	1%	0.006	23%	0.225	C	C	.	.	H	α-helix	trans	-66.1	-39.8	176.9	174.2	0	0	0	0	111.7	L65 L68 F111 C112 S117 V118 L119 W144	L65-V115 HydrophobicContact CD2-CB 4.5Å; L65-V115 HydrophobicContact CD2-CG2 4.25Å; L68-V115 HydrophobicContact CD2-CG1 3.62Å; L68-V115 HydrophobicContact CG-CG1 4.46Å; F111-V115 PolarHBondContact O-N 2.89Å; C112-V115 PolarHBondContact O-N 3.24Å; V115-S117 VanDerWaalsContact C-N 3.33Å; V115-V118 PolarHBondContact O-N 3.47Å; V115-L119 HydrophobicContact CG1-CD1 3.9Å; V115-L119 WeakPolarHBondContact O-CD1 3Å; V115-L119 WeakPolarHBondContact O-CG 3.22Å; V115-L119 PolarHBondContact O-N 3.48Å; V115-W144 HydrophobicContact CG2-CH2 4.3Å
116	V	64.6	Low	57.1	Low	3 Å²	3	39.2 Å²	39.2	2%	0.018	23%	0.225	C	C	.	.	H	α-helix	trans	-65.8	-36	175.2	172.7	0	0	0	0	110.9	Y93 L96 C112 A113 L119 A120 Y132	Y93-V116 HydrophobicContact CE2-CG1 4.05Å; L96-V116 HydrophobicContact CB-CG2 4.4Å; C112-V116 WeakPolarHBondContact O-CB 3.15Å; C112-V116 WeakPolarHBondContact O-CG2 3.42Å; C112-V116 PolarHBondContact O-N 3.34Å; A113-V116 PolarHBondContact O-N 3.4Å; V116-L119 PolarHBondContact O-N 3.15Å; V116-A120 WeakPolarHBondContact O-CB 3.45Å; V116-A120 PolarHBondContact O-N 2.91Å; V116-Y132 HydrophobicContact CG1-CD1 4.31Å; V116-Y132 HydrophobicContact CG1-CD2 3.61Å; V116-Y132 HydrophobicContact CG1-CE1 4.45Å; V116-Y132 HydrophobicContact CG1-CE2 3.79Å; V116-Y132 HydrophobicContact CG1-CG 3.92Å
117	S	60.8	Low	56.7	Low	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63.3	-41.3	175.5	82.7	0	0	0	0	112.2	A113 D114 V115 L119 A120 C129 Y148	A113-S117 WeakPolarHBondContact O-CB 3.23Å; A113-S117 PolarHBondContact O-N 3.37Å; D114-S117 WeakPolarHBondContact O-CB 3.35Å; D114-S117 PolarHBondContact O-N 3.29Å; D114-S117 PolarHBondContact O-OG 3.34Å; V115-S117 VanDerWaalsContact C-N 3.33Å; S117-L119 VanDerWaalsContact C-N 3.34Å; S117-L119 PolarHBondContact O-N 2.9Å; S117-A120 WeakPolarHBondContact O-CB 3.34Å; S117-A120 PolarHBondContact O-N 2.97Å; S117-C129 PolarHBondContact O-SG 2.92Å; S117-Y148 PolarHBondContact OG-OH 3.25Å
118	V	62.7	Low	56.6	Low	2 Å²	2	38.4 Å²	38.4	1%	0.012	20%	0.204	C	C	.	.	H	α-helix	trans	-69.3	-35.2	178	171.9	0	0	0	0	110.6	I72 L86 D114 V115 M121 W144 Y148	I72-V118 HydrophobicContact CG2-CG1 4.08Å; L86-V118 HydrophobicContact CD2-CG1 4.39Å; D114-V118 WeakPolarHBondContact O-CG2 3.38Å; D114-V118 PolarHBondContact O-N 3.31Å; D114-V118 VanDerWaalsContact O-N 3.15Å; V115-V118 PolarHBondContact O-N 3.47Å; V118-M121 HydrophobicContact CB-CE 4.12Å; V118-M121 HydrophobicContact CG1-CE 3.44Å; V118-M121 VanDerWaalsContact CG1-CE 3.44Å; V118-M121 WeakPolarHBondContact O-CB 3.46Å; V118-M121 WeakPolarHBondContact O-CE 3.41Å; V118-M121 VanDerWaalsContact O-CG 3.3Å; V118-M121 WeakPolarHBondContact O-CG 3.41Å; V118-M121 PolarHBondContact O-N 3.06Å; V118-W144 HydrophobicContact CB-CE3 4.33Å; V118-W144 HydrophobicContact CB-CZ3 4.38Å; V118-W144 HydrophobicContact CG1-CE3 4.05Å; V118-W144 HydrophobicContact CG1-CZ3 4.19Å; V118-W144 HydrophobicContact CG2-CD2 3.73Å; V118-W144 HydrophobicContact CG2-CE3 3.48Å; V118-W144 VanDerWaalsContact CG2-CE3 3.48Å; V118-W144 HydrophobicContact CG2-CG 4.25Å; V118-W144 HydrophobicContact CG2-CH2 4.35Å; V118-W144 HydrophobicContact CG2-CZ3 3.81Å; V118-Y148 HydrophobicContact CB-CE2 4.47Å; V118-Y148 HydrophobicContact CG2-CD2 3.95Å; V118-Y148 HydrophobicContact CG2-CE2 3.71Å
119	L	61.2	Low	56.5	Low	1 Å²	1	36.8 Å²	36.8	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-71.6	-32.9	176	-81	159.9	0	0	0	113.6	L86 L89 Y93 L96 V115 V116 S117 M121 T122	L86-L119 HydrophobicContact CD2-CD2 3.95Å; L86-L119 HydrophobicContact CD2-CG 4.43Å; L89-L119 HydrophobicContact CB-CD2 3.3Å; L89-L119 HydrophobicContact CD1-CD2 3.98Å; L89-L119 HydrophobicContact CD2-CD1 4.44Å; L89-L119 HydrophobicContact CD2-CD2 4.31Å; L89-L119 HydrophobicContact CG-CD2 4.05Å; Y93-L119 HydrophobicContact CD2-CB 4.08Å; Y93-L119 HydrophobicContact CE2-CB 4.31Å; L96-L119 HydrophobicContact CD1-CD1 3.87Å; V115-L119 HydrophobicContact CG1-CD1 3.9Å; V115-L119 WeakPolarHBondContact O-CD1 3Å; V115-L119 WeakPolarHBondContact O-CG 3.22Å; V115-L119 PolarHBondContact O-N 3.48Å; V116-L119 PolarHBondContact O-N 3.15Å; S117-L119 VanDerWaalsContact C-N 3.34Å; S117-L119 PolarHBondContact O-N 2.9Å; L119-M121 PolarHBondContact O-N 3.42Å; L119-M121 VanDerWaalsContact O-N 3.1Å; L119-T122 PolarHBondContact O-N 3.35Å; L119-T122 VanDerWaalsContact O-N 3.14Å; L119-T122 PolarHBondContact O-OG1 2.93Å
120	A	58.7	Low	56.2	Low	4 Å²	4	34.3 Å²	34.3	3%	0.033	19%	0.185	C	C	.	.	H	α-helix	trans	-60.6	-16.7	175.4	0	0	0	0	0	112.9	Y93 V116 S117 T122 M123 E128 C129	Y93-A120 HydrophobicContact CE2-CB 4.18Å; V116-A120 WeakPolarHBondContact O-CB 3.45Å; V116-A120 PolarHBondContact O-N 2.91Å; S117-A120 WeakPolarHBondContact O-CB 3.34Å; S117-A120 PolarHBondContact O-N 2.97Å; A120-T122 PolarHBondContact O-N 3.24Å; A120-T122 VanDerWaalsContact O-N 3.12Å; A120-M123 PolarHBondContact O-N 2.84Å; A120-E128 HydrophobicContact CB-CB 4.44Å; A120-C129 HydrophobicContact CB-CB 4Å
121	M	55.8	Low	56.1	Low	35 Å²	35	38.2 Å²	38.2	17%	0.172	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-26.9	171.2	-68.9	-167.8	-81.8	0	0	114	L86 V118 L119 Y148	L86-M121 HydrophobicContact CD1-CE 4.08Å; V118-M121 HydrophobicContact CB-CE 4.12Å; V118-M121 HydrophobicContact CG1-CE 3.44Å; V118-M121 VanDerWaalsContact CG1-CE 3.44Å; V118-M121 WeakPolarHBondContact O-CB 3.46Å; V118-M121 WeakPolarHBondContact O-CE 3.41Å; V118-M121 VanDerWaalsContact O-CG 3.3Å; V118-M121 WeakPolarHBondContact O-CG 3.41Å; V118-M121 PolarHBondContact O-N 3.06Å; L119-M121 PolarHBondContact O-N 3.42Å; L119-M121 VanDerWaalsContact O-N 3.1Å; M121-Y148 HydrophobicContact CE-CD2 3.97Å; M121-Y148 HydrophobicContact CG-CD2 4.16Å; M121-Y148 VanDerWaalsContact SD-CA 3.53Å; M121-Y148 HydrophobicContact SD-CD2 3.76Å; M121-Y148 HydrophobicContact SD-CG 4.28Å
122	T	54.8	Low	55.9	Low	28 Å²	28	37.9 Å²	37.9	17%	0.172	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-11.1	-174.6	57.2	0	0	0	0	114.9	V82 L86 L119 A120	V82-T122 HydrophobicContact CG1-CG2 4.21Å; L86-T122 HydrophobicContact CB-CG2 3.64Å; L86-T122 HydrophobicContact CD1-CG2 4.46Å; L86-T122 HydrophobicContact CG-CG2 4.49Å; L119-T122 PolarHBondContact O-N 3.35Å; L119-T122 VanDerWaalsContact O-N 3.14Å; L119-T122 PolarHBondContact O-OG1 2.93Å; A120-T122 PolarHBondContact O-N 3.24Å; A120-T122 VanDerWaalsContact O-N 3.12Å
123	M	48.6	Very low	55.8	Low	97 Å²	97	39 Å²	39	48%	0.478	20%	0.2	S	C	.	.	S	Bend	trans	-119.2	107.7	175.9	-155.2	179.7	-171.2	0	0	106.9	Y93 A120 G125	Y93-M123 HydrophobicContact CD1-SD 3.79Å; Y93-M123 HydrophobicContact CE1-SD 4.25Å; A120-M123 PolarHBondContact O-N 2.84Å; M123-G125 PolarHBondContact O-N 3.38Å
124	S	46.1	Very low	55.8	Low	124 Å²	124	42.7 Å²	42.7	87%	0.867	22%	0.219	S	C	*	.			trans	-62.4	63.9	175.4	-44.2	0	0	0	0	111.5
125	G	45.8	Very low	55.4	Low	28 Å²	28	47.1 Å²	47.1	29%	0.289	24%	0.243	S	C	.	.			trans	-96.2	103.3	163.5	0	0	0	0	0	106.8	M123 R127 E128	M123-G125 PolarHBondContact O-N 3.38Å; G125-R127 PolarHBondContact O-N 3.29Å; G125-E128 PolarHBondContact O-N 3.38Å
126	E	47.3	Very low	54.9	Low	172 Å²	172	47.8 Å²	47.8	80%	0.804	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-46.3	128.1	172.9	-67.6	172	164.3	0	0	109.4
127	R	49.3	Very low	54	Low	116 Å²	116	50.5 Å²	50.5	44%	0.438	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	83	3.5	170.8	-48.3	160.6	165.8	-178.9	-7.3	117.7	G125 K131 E162	G125-R127 PolarHBondContact O-N 3.29Å; R127-K131 HydrophobicContact CB-CD 4.49Å; R127-K131 WeakPolarHBondContact O-CB 3.17Å; R127-K131 VanDerWaalsContact O-CD 3.22Å; R127-K131 WeakPolarHBondContact O-CD 3.3Å; R127-K131 WeakPolarHBondContact O-CG 3Å; R127-K131 PolarHBondContact O-N 3.38Å; R127-E162 IonicContact CZ-OE1 3.71Å; R127-E162 IonicContact CZ-OE2 2.81Å; R127-E162 IonicContact NE-OE2 3.32Å; R127-E162 IonicContact NH2-OE1 3.95Å; R127-E162 PolarHBondContact NH2-OE1 3.35Å; R127-E162 IonicContact NH2-OE2 2.81Å; R127-E162 PolarHBondContact NH2-OE2 3.05Å
128	E	53.7	Low	53.5	Low	39 Å²	39	59.6 Å²	59.6	18%	0.182	31%	0.311	C	S	.	.	H	α-helix	trans	-84.6	-40.3	-178.4	-69.3	-165.1	151.3	0	0	113.6	Y93 K97 A120 G125 L130 K131 Y132	Y93-E128 VanDerWaalsContact CE1-OE2 3.26Å; Y93-E128 WeakPolarHBondContact CE1-OE2 3.36Å; Y93-E128 VanDerWaalsContact CZ-OE2 3.31Å; Y93-E128 PolarHBondContact OH-OE2 3.21Å; K97-E128 IonicContact NZ-OE1 3.05Å; K97-E128 PolarHBondContact NZ-OE1 3.46Å; A120-E128 HydrophobicContact CB-CB 4.44Å; G125-E128 PolarHBondContact O-N 3.38Å; E128-L130 VanDerWaalsContact C-N 3.34Å; E128-L130 PolarHBondContact O-N 3.15Å; E128-K131 PolarHBondContact O-N 2.67Å; E128-Y132 HydrophobicContact CB-CD2 4.14Å; E128-Y132 HydrophobicContact CB-CE2 3.94Å; E128-Y132 HydrophobicContact CG-CE2 4.29Å; E128-Y132 WeakPolarHBondContact O-CD2 3.33Å; E128-Y132 PolarHBondContact O-N 3.36Å
129	C	53.7	Low	52.9	Low	1 Å²	1	62 Å²	62	1%	0.007	32%	0.322	C	S	.	.	H	α-helix	trans	-64.5	-42.6	176.6	-174.9	0	0	0	0	111	S117 A120 R133 E155	S117-C129 PolarHBondContact O-SG 2.92Å; A120-C129 HydrophobicContact CB-CB 4Å; C129-R133 WeakPolarHBondContact O-CB 3.44Å; C129-R133 PolarHBondContact O-N 3.37Å; C129-E155 WeakPolarHBondContact CB-OE1 3.5Å; C129-E155 VanDerWaalsContact CB-OE2 3.28Å; C129-E155 WeakPolarHBondContact CB-OE2 3.38Å
130	L	56.1	Low	52.4	Low	1 Å²	1	69.4 Å²	69.4	1%	0.005	36%	0.357	C	S	.	.	H	α-helix	trans	-38.8	-68.4	164.9	162.6	147.3	0	0	0	114.2	E128 Y132 R133 L134 E155 V156 E159 L174 L177	E128-L130 VanDerWaalsContact C-N 3.34Å; E128-L130 PolarHBondContact O-N 3.15Å; L130-Y132 PolarHBondContact O-N 2.89Å; L130-R133 PolarHBondContact O-N 3.26Å; L130-L134 HydrophobicContact CD1-CD1 4.42Å; L130-L134 HydrophobicContact CD1-CG 4.4Å; L130-L134 HydrophobicContact CG-CD1 4.24Å; L130-L134 WeakPolarHBondContact O-CG 3.45Å; L130-L134 PolarHBondContact O-N 2.83Å; L130-L134 VanDerWaalsContact O-N 3.1Å; L130-E155 PolarHBondContact N-OE2 3.46Å; L130-E155 VanDerWaalsContact N-OE2 3.1Å; L130-V156 HydrophobicContact CD1-CG2 3.64Å; L130-V156 HydrophobicContact CD2-CG2 4.12Å; L130-E159 HydrophobicContact CD2-CB 3.82Å; L130-E159 VanDerWaalsContact CD2-CD 3.41Å; L130-E159 HydrophobicContact CD2-CG 4.18Å; L130-E159 WeakPolarHBondContact CD2-OE2 3.42Å; L130-L174 HydrophobicContact CD1-CD2 3.77Å; L130-L174 HydrophobicContact CD2-CD2 4.14Å; L130-L174 HydrophobicContact CG-CD2 4.41Å; L130-L177 HydrophobicContact CD1-CD2 3.44Å; L130-L177 VanDerWaalsContact CD1-CD2 3.44Å
131	K	58	Low	52.3	Low	109 Å²	109	69.6 Å²	69.6	47%	0.474	36%	0.357	S	S	.	.	H	α-helix	trans	-64.7	-40.6	-173.8	-72.5	171.2	-173.1	169.9	0	113.2	R127 E128 L135	R127-K131 HydrophobicContact CB-CD 4.49Å; R127-K131 WeakPolarHBondContact O-CB 3.17Å; R127-K131 VanDerWaalsContact O-CD 3.22Å; R127-K131 WeakPolarHBondContact O-CD 3.3Å; R127-K131 WeakPolarHBondContact O-CG 3Å; R127-K131 PolarHBondContact O-N 3.38Å; E128-K131 PolarHBondContact O-N 2.67Å; K131-L135 WeakPolarHBondContact O-CD1 3.37Å; K131-L135 VanDerWaalsContact O-CG 3.28Å; K131-L135 WeakPolarHBondContact O-CG 3.31Å; K131-L135 PolarHBondContact O-N 3.15Å
132	Y	54	Low	52.1	Low	21 Å²	21	70.5 Å²	70.5	8%	0.082	37%	0.37	C	S	.	.	H	α-helix	trans	-74.8	-28	-178.7	-68.4	-60.8	0	0	0	112.3	Y100 A113 V116 E128 L130 L135 G136	Y100-Y132 HydrophobicContact CD1-CD1 4.47Å; Y100-Y132 AromaticContact CD1-CE1 3.75Å; Y100-Y132 HydrophobicContact CD1-CE1 3.75Å; Y100-Y132 AromaticContact CE1-CD1 4Å; Y100-Y132 HydrophobicContact CE1-CD1 4Å; Y100-Y132 AromaticContact CE1-CE1 3.5Å; Y100-Y132 HydrophobicContact CE1-CE1 3.5Å; Y100-Y132 HydrophobicContact CG-CE1 4.46Å; A113-Y132 WeakPolarHBondContact CB-O 3.42Å; V116-Y132 HydrophobicContact CG1-CD1 4.31Å; V116-Y132 HydrophobicContact CG1-CD2 3.61Å; V116-Y132 HydrophobicContact CG1-CE1 4.45Å; V116-Y132 HydrophobicContact CG1-CE2 3.79Å; V116-Y132 HydrophobicContact CG1-CG 3.92Å; E128-Y132 HydrophobicContact CB-CD2 4.14Å; E128-Y132 HydrophobicContact CB-CE2 3.94Å; E128-Y132 HydrophobicContact CG-CE2 4.29Å; E128-Y132 WeakPolarHBondContact O-CD2 3.33Å; E128-Y132 PolarHBondContact O-N 3.36Å; L130-Y132 PolarHBondContact O-N 2.89Å; Y132-L135 CarbonylContact O-C 3.57Å; Y132-L135 PolarHBondContact O-N 3.38Å; Y132-G136 PolarHBondContact O-N 3.06Å
133	R	54.7	Low	52.3	Low	28 Å²	28	70.6 Å²	70.6	11%	0.106	37%	0.372	C	S	.	.	H	α-helix	trans	-72.8	-38.4	171.5	-169.5	176.9	-169.5	148.1	27.2	113.1	C129 L130 L135 G136 Y148 L152	C129-R133 WeakPolarHBondContact O-CB 3.44Å; C129-R133 PolarHBondContact O-N 3.37Å; L130-R133 PolarHBondContact O-N 3.26Å; R133-L135 PolarHBondContact O-N 3.42Å; R133-G136 PolarHBondContact O-N 3.3Å; R133-Y148 VanDerWaalsContact NH1-CE1 3.29Å; R133-L152 HydrophobicContact CB-CD1 4.44Å; R133-L152 HydrophobicContact CG-CD1 4.45Å
134	L	58.4	Low	52.7	Low	79 Å²	79	66.6 Å²	66.6	41%	0.414	35%	0.352	S	S	.	.	H	α-helix	trans	-62.3	-25.8	172.8	-74	163.9	0	0	0	112.5	L130 T173	L130-L134 HydrophobicContact CD1-CD1 4.42Å; L130-L134 HydrophobicContact CD1-CG 4.4Å; L130-L134 HydrophobicContact CG-CD1 4.24Å; L130-L134 WeakPolarHBondContact O-CG 3.45Å; L130-L134 PolarHBondContact O-N 2.83Å; L130-L134 VanDerWaalsContact O-N 3.1Å; L134-T173 HydrophobicContact CD2-CG2 3.51Å
135	L	55.4	Low	53.5	Low	101 Å²	101	61.5 Å²	61.5	53%	0.529	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-7.4	175.2	-67.5	164.6	0	0	0	113.3	Y100 A113 K131 Y132 R133	Y100-L135 WeakPolarHBondContact OH-CD1 3.49Å; A113-L135 HydrophobicContact CB-CB 4.46Å; K131-L135 WeakPolarHBondContact O-CD1 3.37Å; K131-L135 VanDerWaalsContact O-CG 3.28Å; K131-L135 WeakPolarHBondContact O-CG 3.31Å; K131-L135 PolarHBondContact O-N 3.15Å; Y132-L135 CarbonylContact O-C 3.57Å; Y132-L135 PolarHBondContact O-N 3.38Å; R133-L135 PolarHBondContact O-N 3.42Å
136	G	52.7	Low	54.3	Low	15 Å²	15	64.2 Å²	64.2	16%	0.155	32%	0.323	C	S	.	.	S	Bend	trans	-84.5	170.9	-175.2	0	0	0	0	0	114	D114 Y132 R133	D114-G136 VanDerWaalsContact OD1-CA 3.23Å; D114-G136 WeakPolarHBondContact OD1-CA 3.45Å; Y132-G136 PolarHBondContact O-N 3.06Å; R133-G136 PolarHBondContact O-N 3.3Å
137	S	47	Very low	55	Low	59 Å²	59	59.8 Å²	59.8	41%	0.413	30%	0.303	S	S	.	.			trans	-76.1	134	177	-167.8	0	0	0	0	108.1	D114 E139	D114-S137 PolarHBondContact OD1-N 3.35Å; D114-S137 WeakPolarHBondContact OD2-CB 3.17Å; D114-S137 PolarHBondContact OD2-N 2.97Å; S137-E139 PolarHBondContact O-N 2.93Å
138	Q	49.6	Very low	55.8	Low	191 Å²	191	54.4 Å²	54.4	89%	0.893	28%	0.282	S	S	*	.			trans	-63.2	62.8	178.5	-64.1	178.7	-21.7	0	0	112.2
139	E	50	Low	56.3	Low	54 Å²	54	52.6 Å²	52.6	25%	0.252	27%	0.274	S	S	.	.			trans	-97.9	143.1	-178	-169.1	171.3	176.9	0	0	111	R69 R73 S137 L141	R69-E139 IonicContact CZ-OE1 2.75Å; R69-E139 IonicContact CZ-OE2 3.08Å; R69-E139 IonicContact NH1-OE1 2.78Å; R69-E139 PolarHBondContact NH1-OE1 3.28Å; R69-E139 IonicContact NH1-OE2 2.97Å; R69-E139 PolarHBondContact NH1-OE2 2.96Å; R69-E139 IonicContact NH2-OE1 3.81Å; R69-E139 PolarHBondContact NH2-OE1 3.38Å; R69-E139 IonicContact NH2-OE2 3.34Å; R73-E139 IonicContact NH2-OE1 4Å; R73-E139 PolarHBondContact NH2-OE1 3.31Å; S137-E139 PolarHBondContact O-N 2.93Å; E139-L141 PolarHBondContact O-N 3.45Å
140	E	50.6	Low	56.9	Low	156 Å²	156	60.3 Å²	60.3	73%	0.729	30%	0.303	S	S	*	.			trans	-54	124.3	-171.8	-67.1	174.6	173.8	0	0	112.7	A142 S143	E140-A142 PolarHBondContact O-N 3.5Å; E140-S143 WeakPolarHBondContact O-CB 3.33Å; E140-S143 PolarHBondContact O-N 3.42Å; E140-S143 VanDerWaalsContact O-N 3.12Å; E140-S143 PolarHBondContact O-OG 3.09Å
141	L	56.7	Low	57.5	Low	7 Å²	7	63.9 Å²	63.9	4%	0.037	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-48.5	-33.6	177.7	-101.8	82.2	0	0	0	113.8	E139 S143 W144 V149 L177 E180 I181	E139-L141 PolarHBondContact O-N 3.45Å; L141-S143 PolarHBondContact O-N 3.18Å; L141-W144 PolarHBondContact O-N 3.02Å; L141-V149 HydrophobicContact CB-CG2 4.34Å; L141-V149 HydrophobicContact CD2-CG1 4.01Å; L141-V149 HydrophobicContact CD2-CG2 3.89Å; L141-V149 HydrophobicContact CG-CG2 4.32Å; L141-L177 HydrophobicContact CD1-CD1 4.32Å; L141-E180 HydrophobicContact CD1-CB 4.26Å; L141-I181 HydrophobicContact CD2-CB 4.15Å; L141-I181 HydrophobicContact CD2-CD1 4.39Å; L141-I181 HydrophobicContact CD2-CG1 3.26Å
142	A	51.9	Low	57.9	Low	54 Å²	54	58.7 Å²	58.7	45%	0.446	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-58.2	-21.5	-177.2	0	0	0	0	0	113.6	E140 Y184	E140-A142 PolarHBondContact O-N 3.5Å; A142-Y184 VanDerWaalsContact CA-CE2 3.45Å; A142-Y184 HydrophobicContact CB-CD2 4.04Å; A142-Y184 HydrophobicContact CB-CE2 3.54Å
143	S	58.8	Low	58.4	Low	31 Å²	31	58.1 Å²	58.1	22%	0.217	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-84.9	-9.4	-171.7	73.5	0	0	0	0	114.9	R73 E140 L141	R73-S143 WeakPolarHBondContact CD-O 3.34Å; R73-S143 WeakPolarHBondContact CG-O 3.35Å; R73-S143 VanDerWaalsContact CZ-CB 3.44Å; R73-S143 PolarHBondContact NE-O 3.45Å; R73-S143 PolarHBondContact NH2-OG 2.95Å; E140-S143 WeakPolarHBondContact O-CB 3.33Å; E140-S143 PolarHBondContact O-N 3.42Å; E140-S143 VanDerWaalsContact O-N 3.12Å; E140-S143 PolarHBondContact O-OG 3.09Å; L141-S143 PolarHBondContact O-N 3.18Å
144	W	57.3	Low	59	Low	13 Å²	13	58.5 Å²	58.5	5%	0.049	31%	0.309	C	S	.	.	S	Bend	trans	-114.1	-3.2	-175.5	-63.7	104.1	0	0	0	114.6	R69 I72 D114 V115 V118 L141 Y148	R69-W144 HydrophobicContact CB-CH2 4.15Å; R69-W144 HydrophobicContact CG-CH2 3.86Å; R69-W144 HydrophobicContact CG-CZ2 4.38Å; R69-W144 HydrophobicContact CG-CZ3 4.38Å; I72-W144 HydrophobicContact CG2-CE3 4.44Å; I72-W144 HydrophobicContact CG2-CZ3 4.24Å; D114-W144 HydrophobicContact CB-CZ2 4.42Å; V115-W144 HydrophobicContact CG2-CH2 4.3Å; V118-W144 HydrophobicContact CB-CE3 4.33Å; V118-W144 HydrophobicContact CB-CZ3 4.38Å; V118-W144 HydrophobicContact CG1-CE3 4.05Å; V118-W144 HydrophobicContact CG1-CZ3 4.19Å; V118-W144 HydrophobicContact CG2-CD2 3.73Å; V118-W144 HydrophobicContact CG2-CE3 3.48Å; V118-W144 VanDerWaalsContact CG2-CE3 3.48Å; V118-W144 HydrophobicContact CG2-CG 4.25Å; V118-W144 HydrophobicContact CG2-CH2 4.35Å; V118-W144 HydrophobicContact CG2-CZ3 3.81Å; L141-W144 PolarHBondContact O-N 3.02Å; W144-Y148 HydrophobicContact CB-CD1 3.58Å; W144-Y148 HydrophobicContact CB-CE1 4.12Å; W144-Y148 HydrophobicContact CB-CG 4Å; W144-Y148 HydrophobicContact CG-CD1 4.34Å; W144-Y148 HydrophobicContact CG-CE1 4.41Å
145	G	62.2	Low	59.5	Low	16 Å²	16	56 Å²	56	17%	0.165	30%	0.296	C	S	.	.			trans	88.2	166.8	171.3	0	0	0	0	0	115.6	E147 Y148 V149	G145-E147 PolarHBondContact O-N 3.11Å; G145-Y148 PolarHBondContact O-N 2.98Å; G145-V149 PolarHBondContact O-N 3.02Å
146	H	62.3	Low	60.1	Low	85 Å²	85	51.2 Å²	51.2	39%	0.394	27%	0.27	S	S	.	.	H	α-helix	trans	-63.5	-38.6	-172.2	-71.3	-69.7	0	0	0	114.5	Y148 V149 R150 Y184 H188	H146-Y148 VanDerWaalsContact C-N 3.29Å; H146-Y148 PolarHBondContact O-N 3.05Å; H146-V149 PolarHBondContact O-N 2.68Å; H146-R150 WeakPolarHBondContact O-CB 3.39Å; H146-R150 PolarHBondContact O-N 3.14Å; H146-Y184 AromaticContact CE1-CE1 3.91Å; H146-Y184 AromaticContact CE1-CZ 4Å; H146-Y184 AromaticContact ND1-CE1 3.91Å; H146-H188 VanDerWaalsContact CE1-CB 3.43Å; H146-H188 WeakPolarHBondContact CE1-CB 3.36Å; H146-H188 AromaticContact CE1-CD2 3.99Å; H146-H188 AromaticContact CE1-CG 3.51Å; H146-H188 AromaticContact CE1-ND1 3.91Å; H146-H188 AromaticContact NE2-ND1 3.97Å
147	E	62.5	Low	60.6	Low	79 Å²	79	51 Å²	51	37%	0.369	27%	0.267	S	S	.	.	H	α-helix	trans	-64	-36.1	-179.4	-67.6	-173.1	162.6	0	0	112.1	G145 R150 H151	G145-E147 PolarHBondContact O-N 3.11Å; E147-R150 PolarHBondContact O-N 3.44Å; E147-H151 WeakPolarHBondContact O-CB 3.41Å; E147-H151 PolarHBondContact O-N 2.96Å
148	Y	65.6	Low	61.7	Low	3 Å²	3	54.8 Å²	54.8	1%	0.012	28%	0.276	C	S	.	.	H	α-helix	trans	-67.6	-45.2	175.7	177.5	-107.3	0	0	0	111.7	S117 V118 M121 R133 W144 G145 H146 R150 H151 L152	S117-Y148 PolarHBondContact OG-OH 3.25Å; V118-Y148 HydrophobicContact CB-CE2 4.47Å; V118-Y148 HydrophobicContact CG2-CD2 3.95Å; V118-Y148 HydrophobicContact CG2-CE2 3.71Å; M121-Y148 HydrophobicContact CE-CD2 3.97Å; M121-Y148 HydrophobicContact CG-CD2 4.16Å; M121-Y148 VanDerWaalsContact SD-CA 3.53Å; M121-Y148 HydrophobicContact SD-CD2 3.76Å; M121-Y148 HydrophobicContact SD-CG 4.28Å; R133-Y148 VanDerWaalsContact NH1-CE1 3.29Å; W144-Y148 HydrophobicContact CB-CD1 3.58Å; W144-Y148 HydrophobicContact CB-CE1 4.12Å; W144-Y148 HydrophobicContact CB-CG 4Å; W144-Y148 HydrophobicContact CG-CD1 4.34Å; W144-Y148 HydrophobicContact CG-CE1 4.41Å; G145-Y148 PolarHBondContact O-N 2.98Å; H146-Y148 VanDerWaalsContact C-N 3.29Å; H146-Y148 PolarHBondContact O-N 3.05Å; Y148-R150 VanDerWaalsContact C-N 3.3Å; Y148-R150 PolarHBondContact O-N 3.38Å; Y148-H151 PolarHBondContact O-N 3.23Å; Y148-L152 WeakPolarHBondContact O-CB 3.19Å; Y148-L152 PolarHBondContact O-N 2.87Å
149	V	65.9	Low	62.4	Low	1 Å²	1	47.3 Å²	47.3	1%	0.006	24%	0.242	C	C	.	.	H	α-helix	trans	-62.8	-38.8	176.8	-179.2	0	0	0	0	111.2	L141 G145 H146 A153 I181 Y184 N185	L141-V149 HydrophobicContact CB-CG2 4.34Å; L141-V149 HydrophobicContact CD2-CG1 4.01Å; L141-V149 HydrophobicContact CD2-CG2 3.89Å; L141-V149 HydrophobicContact CG-CG2 4.32Å; G145-V149 PolarHBondContact O-N 3.02Å; H146-V149 PolarHBondContact O-N 2.68Å; V149-A153 VanDerWaalsContact O-CB 3.28Å; V149-A153 WeakPolarHBondContact O-CB 3.47Å; V149-A153 PolarHBondContact O-N 3.34Å; V149-I181 HydrophobicContact CG1-CG2 3.89Å; V149-Y184 HydrophobicContact CB-CE1 4.43Å; V149-Y184 HydrophobicContact CG1-CD1 4.18Å; V149-Y184 HydrophobicContact CG2-CD1 4.1Å; V149-Y184 HydrophobicContact CG2-CE1 3.85Å; V149-N185 WeakPolarHBondContact CG1-OD1 3.18Å
150	R	65.6	Low	63.1	Low	163 Å²	163	46.5 Å²	46.5	62%	0.615	24%	0.236	S	C	*	.	H	α-helix	trans	-67.3	-47.6	177.7	-175.6	177.5	176.2	168.9	3.7	113	H146 E147 Y148 L152 A153 G154 E193	H146-R150 WeakPolarHBondContact O-CB 3.39Å; H146-R150 PolarHBondContact O-N 3.14Å; E147-R150 PolarHBondContact O-N 3.44Å; Y148-R150 VanDerWaalsContact C-N 3.3Å; Y148-R150 PolarHBondContact O-N 3.38Å; R150-L152 VanDerWaalsContact C-N 3.27Å; R150-L152 PolarHBondContact O-N 3.15Å; R150-A153 PolarHBondContact O-N 3.32Å; R150-G154 PolarHBondContact O-N 3.45Å; R150-E193 WeakPolarHBondContact CD-OE1 3.28Å; R150-E193 IonicContact CZ-OE1 2.76Å; R150-E193 IonicContact NE-OE1 2.91Å; R150-E193 PolarHBondContact NE-OE1 3.28Å; R150-E193 IonicContact NH1-OE1 3.78Å
151	H	67.5	Low	63.6	Low	76 Å²	76	45.3 Å²	45.3	35%	0.352	23%	0.231	S	C	.	.	H	α-helix	trans	-63.6	-39.5	177.7	-162.8	-86.2	0	0	0	111	E147 Y148 G154 E155	E147-H151 WeakPolarHBondContact O-CB 3.41Å; E147-H151 PolarHBondContact O-N 2.96Å; Y148-H151 PolarHBondContact O-N 3.23Å; H151-G154 PolarHBondContact O-N 3.39Å; H151-E155 IonicContact CE1-OE1 2.8Å; H151-E155 PolarHBondContact CE1-OE1 3.46Å; H151-E155 IonicContact ND1-OE1 3.21Å; H151-E155 PolarHBondContact ND1-OE1 3.25Å; H151-E155 PolarHBondContact O-N 3.28Å
152	L	67.3	Low	63.9	Low	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-67.6	-42.5	177.7	-167.5	113	0	0	0	112.7	R133 Y148 R150 G154 E155 V156 L177 I181	R133-L152 HydrophobicContact CB-CD1 4.44Å; R133-L152 HydrophobicContact CG-CD1 4.45Å; Y148-L152 WeakPolarHBondContact O-CB 3.19Å; Y148-L152 PolarHBondContact O-N 2.87Å; R150-L152 VanDerWaalsContact C-N 3.27Å; R150-L152 PolarHBondContact O-N 3.15Å; L152-G154 VanDerWaalsContact C-N 3.29Å; L152-G154 PolarHBondContact O-N 3.17Å; L152-E155 PolarHBondContact O-N 3.03Å; L152-V156 HydrophobicContact CD2-CG2 4.09Å; L152-V156 HydrophobicContact CG-CG2 4.34Å; L152-V156 WeakPolarHBondContact O-CB 3.45Å; L152-V156 WeakPolarHBondContact O-CG2 3.07Å; L152-V156 PolarHBondContact O-N 3.29Å; L152-L177 HydrophobicContact CD2-CD1 4.21Å; L152-L177 HydrophobicContact CD2-CD2 3.9Å; L152-L177 HydrophobicContact CD2-CG 4.13Å; L152-I181 HydrophobicContact CD2-CD1 3.59Å; L152-I181 HydrophobicContact CD2-CG1 4.37Å
153	A	63.9	Low	64.2	Low	10 Å²	10	49.7 Å²	49.7	8%	0.083	24%	0.243	C	C	.	.	H	α-helix	trans	-58	-43.9	173.5	0	0	0	0	0	111.1	V149 R150 E155 V156 A157 L197	V149-A153 VanDerWaalsContact O-CB 3.28Å; V149-A153 WeakPolarHBondContact O-CB 3.47Å; V149-A153 PolarHBondContact O-N 3.34Å; R150-A153 PolarHBondContact O-N 3.32Å; A153-E155 PolarHBondContact O-N 3.12Å; A153-V156 PolarHBondContact O-N 3.23Å; A153-A157 WeakPolarHBondContact O-CB 3.06Å; A153-A157 PolarHBondContact O-N 2.88Å; A153-L197 HydrophobicContact CB-CD1 4.04Å; A153-L197 HydrophobicContact CB-CD2 4.08Å; A153-L197 WeakPolarHBondContact O-CD1 3.47Å
154	G	68.1	Low	63.5	Low	36 Å²	36	55.8 Å²	55.8	37%	0.371	27%	0.268	S	S	.	.	H	α-helix	trans	-65.1	-33.8	176.2	0	0	0	0	0	114.2	R150 H151 L152 K158	R150-G154 PolarHBondContact O-N 3.45Å; H151-G154 PolarHBondContact O-N 3.39Å; L152-G154 VanDerWaalsContact C-N 3.29Å; L152-G154 PolarHBondContact O-N 3.17Å; G154-K158 WeakPolarHBondContact O-CG 3.2Å; G154-K158 PolarHBondContact O-N 2.62Å
155	E	68.5	Low	63.1	Low	26 Å²	26	63.7 Å²	63.7	12%	0.121	31%	0.306	C	S	.	.	H	α-helix	trans	-74.7	-40	173.6	-77.4	-173.8	-147.9	0	0	112.8	C129 L130 H151 L152 A153 A157 K158 E159	C129-E155 WeakPolarHBondContact CB-OE1 3.5Å; C129-E155 VanDerWaalsContact CB-OE2 3.28Å; C129-E155 WeakPolarHBondContact CB-OE2 3.38Å; L130-E155 PolarHBondContact N-OE2 3.46Å; L130-E155 VanDerWaalsContact N-OE2 3.1Å; H151-E155 IonicContact CE1-OE1 2.8Å; H151-E155 PolarHBondContact CE1-OE1 3.46Å; H151-E155 IonicContact ND1-OE1 3.21Å; H151-E155 PolarHBondContact ND1-OE1 3.25Å; H151-E155 PolarHBondContact O-N 3.28Å; L152-E155 PolarHBondContact O-N 3.03Å; A153-E155 PolarHBondContact O-N 3.12Å; E155-A157 VanDerWaalsContact C-N 3.3Å; E155-A157 PolarHBondContact O-N 3.33Å; E155-K158 PolarHBondContact O-N 2.86Å; E155-E159 WeakPolarHBondContact O-CB 3.18Å; E155-E159 PolarHBondContact O-N 3.17Å
156	V	67.8	Low	62.1	Low	0 Å²	0	67.2 Å²	67.2	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-60.3	-42.5	175.5	169.3	0	0	0	0	110.5	L130 L152 A153 E159 W160 L174 L177 V178 L197 I201	L130-V156 HydrophobicContact CD1-CG2 3.64Å; L130-V156 HydrophobicContact CD2-CG2 4.12Å; L152-V156 HydrophobicContact CD2-CG2 4.09Å; L152-V156 HydrophobicContact CG-CG2 4.34Å; L152-V156 WeakPolarHBondContact O-CB 3.45Å; L152-V156 WeakPolarHBondContact O-CG2 3.07Å; L152-V156 PolarHBondContact O-N 3.29Å; A153-V156 PolarHBondContact O-N 3.23Å; V156-E159 PolarHBondContact O-N 3.38Å; V156-W160 WeakPolarHBondContact O-CB 3.16Å; V156-W160 PolarHBondContact O-N 3.1Å; V156-L174 HydrophobicContact CG1-CD2 4.34Å; V156-L177 HydrophobicContact CG2-CD2 3.74Å; V156-V178 HydrophobicContact CG1-CG2 3.81Å; V156-L197 HydrophobicContact CB-CD1 4.49Å; V156-L197 HydrophobicContact CG1-CD1 4.35Å; V156-I201 HydrophobicContact CG1-CD1 4.02Å
157	A	63.8	Low	61.5	Low	11 Å²	11	66.7 Å²	66.7	9%	0.091	33%	0.328	C	S	.	.	H	α-helix	trans	-59.6	-46.8	175.3	0	0	0	0	0	111.9	A153 E155 W160 Q161 L197 E200	A153-A157 WeakPolarHBondContact O-CB 3.06Å; A153-A157 PolarHBondContact O-N 2.88Å; E155-A157 VanDerWaalsContact C-N 3.3Å; E155-A157 PolarHBondContact O-N 3.33Å; A157-W160 PolarHBondContact O-N 2.8Å; A157-Q161 WeakPolarHBondContact O-CG 3.39Å; A157-Q161 PolarHBondContact O-N 3.23Å; A157-Q161 VanDerWaalsContact O-N 3.14Å; A157-L197 HydrophobicContact CB-CD1 4.38Å; A157-E200 HydrophobicContact CB-CB 3.78Å; A157-E200 HydrophobicContact CB-CG 4.12Å
158	K	68.9	Low	61.3	Low	139 Å²	139	70.1 Å²	70.1	60%	0.604	34%	0.341	S	S	*	.	H	α-helix	trans	-65.3	-39.6	177.5	-71.8	177.7	-179.1	-176.2	0	113.1	G154 E155 W160 Q161 E162	G154-K158 WeakPolarHBondContact O-CG 3.2Å; G154-K158 PolarHBondContact O-N 2.62Å; E155-K158 PolarHBondContact O-N 2.86Å; K158-W160 VanDerWaalsContact C-N 3.35Å; K158-Q161 PolarHBondContact O-N 3.16Å; K158-E162 PolarHBondContact O-N 2.84Å
159	E	65.3	Low	60.8	Low	34 Å²	34	74.6 Å²	74.6	16%	0.159	37%	0.369	C	S	.	.	H	α-helix	trans	-67.5	-39	177.7	-169.8	162.1	139.6	0	0	110.7	L130 E155 V156 Q161 E162 V163 L174	L130-E159 HydrophobicContact CD2-CB 3.82Å; L130-E159 VanDerWaalsContact CD2-CD 3.41Å; L130-E159 HydrophobicContact CD2-CG 4.18Å; L130-E159 WeakPolarHBondContact CD2-OE2 3.42Å; E155-E159 WeakPolarHBondContact O-CB 3.18Å; E155-E159 PolarHBondContact O-N 3.17Å; V156-E159 PolarHBondContact O-N 3.38Å; E159-Q161 PolarHBondContact O-N 3.37Å; E159-E162 PolarHBondContact O-N 3.38Å; E159-V163 HydrophobicContact CG-CG2 4.18Å; E159-V163 WeakPolarHBondContact O-CG2 3.27Å; E159-V163 PolarHBondContact O-N 3.35Å; E159-L174 HydrophobicContact CG-CD1 4.4Å
160	W	63.6	Low	60.3	Low	37 Å²	37	78.8 Å²	78.8	14%	0.14	39%	0.389	C	S	.	.	H	α-helix	trans	-61	-41.2	175.8	-167.3	-93.5	0	0	0	112.9	V156 A157 K158 E162 Q171 L174 L175 I201	V156-W160 WeakPolarHBondContact O-CB 3.16Å; V156-W160 PolarHBondContact O-N 3.1Å; A157-W160 PolarHBondContact O-N 2.8Å; K158-W160 VanDerWaalsContact C-N 3.35Å; W160-E162 VanDerWaalsContact C-N 3.29Å; W160-E162 PolarHBondContact O-N 3.25Å; W160-Q171 HydrophobicContact CE3-CG 4.46Å; W160-Q171 HydrophobicContact CH2-CB 3.8Å; W160-Q171 HydrophobicContact CH2-CG 3.81Å; W160-Q171 HydrophobicContact CZ2-CG 4.41Å; W160-Q171 HydrophobicContact CZ3-CB 3.83Å; W160-Q171 HydrophobicContact CZ3-CG 3.85Å; W160-Q171 WeakPolarHBondContact CZ3-O 3.31Å; W160-L174 HydrophobicContact CE3-CB 3.93Å; W160-L174 HydrophobicContact CE3-CD1 3.88Å; W160-L174 HydrophobicContact CZ3-CB 3.93Å; W160-L174 HydrophobicContact CZ3-CD1 4.39Å; W160-L175 HydrophobicContact CH2-CD1 4.19Å; W160-I201 HydrophobicContact CB-CG1 4.44Å; W160-I201 HydrophobicContact CD2-CG1 4.41Å; W160-I201 HydrophobicContact CD2-CG2 4.13Å; W160-I201 HydrophobicContact CE3-CG2 4.48Å; W160-I201 HydrophobicContact CG-CG1 4.18Å; W160-I201 HydrophobicContact CH2-CG2 4.43Å; W160-I201 HydrophobicContact CZ2-CG2 4.06Å; W160-I201 PolarHBondContact NE1-O 2.95Å
161	Q	62.1	Low	59.9	Low	131 Å²	131	73.3 Å²	73.3	61%	0.612	37%	0.37	S	S	*	.	H	α-helix	trans	-67.8	-25	176.4	-71.3	-179.2	-9.6	0	0	113.8	A157 K158 E159 E200	A157-Q161 WeakPolarHBondContact O-CG 3.39Å; A157-Q161 PolarHBondContact O-N 3.23Å; A157-Q161 VanDerWaalsContact O-N 3.14Å; K158-Q161 PolarHBondContact O-N 3.16Å; E159-Q161 PolarHBondContact O-N 3.37Å; Q161-E200 PolarHBondContact NE2-OE2 3.41Å
162	E	62.5	Low	59.7	Low	128 Å²	128	75.8 Å²	75.8	60%	0.598	38%	0.382	S	S	*	.	H	α-helix	trans	-99.2	-13.3	-175.4	-154	166.1	-178.9	0	0	113.3	R127 K158 E159 W160 E164	R127-E162 IonicContact CZ-OE1 3.71Å; R127-E162 IonicContact CZ-OE2 2.81Å; R127-E162 IonicContact NE-OE2 3.32Å; R127-E162 IonicContact NH2-OE1 3.95Å; R127-E162 PolarHBondContact NH2-OE1 3.35Å; R127-E162 IonicContact NH2-OE2 2.81Å; R127-E162 PolarHBondContact NH2-OE2 3.05Å; K158-E162 PolarHBondContact O-N 2.84Å; E159-E162 PolarHBondContact O-N 3.38Å; W160-E162 VanDerWaalsContact C-N 3.29Å; W160-E162 PolarHBondContact O-N 3.25Å; E162-E164 PolarHBondContact O-N 2.98Å
163	V	59.6	Low	59.5	Low	24 Å²	24	79 Å²	79	15%	0.145	40%	0.401	C	S	.	.	S	Bend	trans	-77.1	110.5	172.3	176.6	0	0	0	0	109.7	E159 D167 Q171	E159-V163 HydrophobicContact CG-CG2 4.18Å; E159-V163 WeakPolarHBondContact O-CG2 3.27Å; E159-V163 PolarHBondContact O-N 3.35Å; V163-D167 HydrophobicContact CG1-CB 3.94Å; V163-Q171 HydrophobicContact CG1-CG 4.42Å
164	E	42.8	Very low	59.6	Low	159 Å²	159	78.5 Å²	78.5	74%	0.743	40%	0.398	S	S	*	.			trans	-61	148.8	167.9	-73.1	-174.9	164.2	0	0	111	E162 S166 D167	E162-E164 PolarHBondContact O-N 2.98Å; E164-S166 PolarHBondContact O-N 3.19Å; E164-D167 PolarHBondContact O-N 3.04Å
165	E	50.4	Low	59.5	Low	180 Å²	180	78 Å²	78	84%	0.841	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.1	-1.9	-178	-82.3	-174.3	132.4	0	0	117.2
166	S	39.7	Very low	59.6	Low	90 Å²	90	83.3 Å²	83.3	63%	0.629	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-20	-177.6	67.6	0	0	0	0	115.3	E164 K168	E164-S166 PolarHBondContact O-N 3.19Å; S166-K168 PolarHBondContact O-N 3.23Å
167	D	50.7	Low	59.5	Low	73 Å²	73	84.2 Å²	84.2	39%	0.39	41%	0.414	S	S	.	.			trans	-101.8	66.4	-176	-82.5	-34.9	0	0	0	114	V163 E164 T169 Q170 Q171	V163-D167 HydrophobicContact CG1-CB 3.94Å; E164-D167 PolarHBondContact O-N 3.04Å; D167-T169 PolarHBondContact O-N 3.15Å; D167-T169 VanDerWaalsContact O-N 3.15Å; D167-Q170 HydrophobicContact CB-CB 4.34Å; D167-Q170 HydrophobicContact CB-CG 4.48Å; D167-Q170 PolarHBondContact O-N 3.5Å; D167-Q171 PolarHBondContact O-N 2.91Å; D167-Q171 VanDerWaalsContact O-N 3.12Å
168	K	56.8	Low	59.7	Low	151 Å²	151	83.7 Å²	83.7	66%	0.657	41%	0.41	S	S	*	.	H	α-helix	trans	-56.7	-29	178.1	-70.3	-176.7	177.7	-179.4	0	114.5	S166 E172	S166-K168 PolarHBondContact O-N 3.23Å; K168-E172 WeakPolarHBondContact O-CG 3.02Å; K168-E172 PolarHBondContact O-N 3.21Å
169	T	55.6	Low	59.6	Low	97 Å²	97	81.4 Å²	81.4	60%	0.595	40%	0.4	S	S	*	.	H	α-helix	trans	-73.4	-38	179.7	45	0	0	0	0	112.3	D167 T173	D167-T169 PolarHBondContact O-N 3.15Å; D167-T169 VanDerWaalsContact O-N 3.15Å; T169-T173 PolarHBondContact O-N 2.86Å; T169-T173 PolarHBondContact O-OG1 3.48Å
170	Q	55.6	Low	59.7	Low	89 Å²	89	84.7 Å²	84.7	42%	0.416	42%	0.415	S	S	.	.	H	α-helix	trans	-70.7	-41	173.7	-68.5	-174.1	-20.2	0	0	110.2	D167 E172 T173 L174	D167-Q170 HydrophobicContact CB-CB 4.34Å; D167-Q170 HydrophobicContact CB-CG 4.48Å; D167-Q170 PolarHBondContact O-N 3.5Å; Q170-E172 PolarHBondContact O-N 3.15Å; Q170-T173 PolarHBondContact O-N 2.69Å; Q170-T173 VanDerWaalsContact O-N 3.12Å; Q170-L174 WeakPolarHBondContact O-CB 3.27Å; Q170-L174 VanDerWaalsContact O-CG 3.26Å; Q170-L174 WeakPolarHBondContact O-CG 3.44Å; Q170-L174 PolarHBondContact O-N 3.24Å
171	Q	57.8	Low	59.8	Low	49 Å²	49	83 Å²	83	23%	0.229	41%	0.408	C	S	.	.	H	α-helix	trans	-57.9	-45.3	172.9	-75.4	-177.4	-17.4	0	0	112.7	W160 V163 D167 T173 L174 L175	W160-Q171 HydrophobicContact CE3-CG 4.46Å; W160-Q171 HydrophobicContact CH2-CB 3.8Å; W160-Q171 HydrophobicContact CH2-CG 3.81Å; W160-Q171 HydrophobicContact CZ2-CG 4.41Å; W160-Q171 HydrophobicContact CZ3-CB 3.83Å; W160-Q171 HydrophobicContact CZ3-CG 3.85Å; W160-Q171 WeakPolarHBondContact CZ3-O 3.31Å; V163-Q171 HydrophobicContact CG1-CG 4.42Å; D167-Q171 PolarHBondContact O-N 2.91Å; D167-Q171 VanDerWaalsContact O-N 3.12Å; Q171-T173 VanDerWaalsContact C-N 3.27Å; Q171-T173 PolarHBondContact O-N 2.89Å; Q171-L174 PolarHBondContact O-N 3.19Å; Q171-L175 VanDerWaalsContact O-CB 3.26Å; Q171-L175 WeakPolarHBondContact O-CB 3.46Å; Q171-L175 PolarHBondContact O-N 3.11Å
172	E	62.2	Low	60	Low	128 Å²	128	76.8 Å²	76.8	60%	0.598	38%	0.38	S	S	*	.	H	α-helix	trans	-64	-32.5	176.5	-80.4	-175.4	178.3	0	0	113.2	K168 Q170 K176	K168-E172 WeakPolarHBondContact O-CG 3.02Å; K168-E172 PolarHBondContact O-N 3.21Å; Q170-E172 PolarHBondContact O-N 3.15Å; E172-K176 WeakPolarHBondContact O-CG 3.36Å; E172-K176 PolarHBondContact O-N 3.1Å; E172-K176 VanDerWaalsContact O-N 3.16Å
173	T	64.1	Low	60.3	Low	66 Å²	66	72.7 Å²	72.7	41%	0.405	36%	0.364	S	S	.	.	H	α-helix	trans	-76	-42	-179.8	-43.5	0	0	0	0	111	L134 T169 Q170 Q171 L175 K176 L177	L134-T173 HydrophobicContact CD2-CG2 3.51Å; T169-T173 PolarHBondContact O-N 2.86Å; T169-T173 PolarHBondContact O-OG1 3.48Å; Q170-T173 PolarHBondContact O-N 2.69Å; Q170-T173 VanDerWaalsContact O-N 3.12Å; Q171-T173 VanDerWaalsContact C-N 3.27Å; Q171-T173 PolarHBondContact O-N 2.89Å; T173-L175 VanDerWaalsContact C-N 3.31Å; T173-L175 PolarHBondContact O-N 2.98Å; T173-K176 PolarHBondContact O-N 3.49Å; T173-L177 PolarHBondContact O-N 3.28Å
174	L	64.9	Low	60.6	Low	1 Å²	1	73 Å²	73	1%	0.005	36%	0.363	C	S	.	.	H	α-helix	trans	-61.2	-40.7	170.5	-67.6	169	0	0	0	110.8	L130 V156 E159 W160 Q170 Q171 K176 L177 V178	L130-L174 HydrophobicContact CD1-CD2 3.77Å; L130-L174 HydrophobicContact CD2-CD2 4.14Å; L130-L174 HydrophobicContact CG-CD2 4.41Å; V156-L174 HydrophobicContact CG1-CD2 4.34Å; E159-L174 HydrophobicContact CG-CD1 4.4Å; W160-L174 HydrophobicContact CE3-CB 3.93Å; W160-L174 HydrophobicContact CE3-CD1 3.88Å; W160-L174 HydrophobicContact CZ3-CB 3.93Å; W160-L174 HydrophobicContact CZ3-CD1 4.39Å; Q170-L174 WeakPolarHBondContact O-CB 3.27Å; Q170-L174 VanDerWaalsContact O-CG 3.26Å; Q170-L174 WeakPolarHBondContact O-CG 3.44Å; Q170-L174 PolarHBondContact O-N 3.24Å; Q171-L174 PolarHBondContact O-N 3.19Å; L174-K176 VanDerWaalsContact C-N 3.34Å; L174-K176 PolarHBondContact O-N 3.28Å; L174-L177 WeakPolarHBondContact O-CB 3.39Å; L174-L177 PolarHBondContact O-N 3.4Å; L174-V178 WeakPolarHBondContact O-CG2 3.22Å; L174-V178 PolarHBondContact O-N 3.22Å
175	L	66.6	Low	61.6	Low	26 Å²	26	65.5 Å²	65.5	14%	0.136	33%	0.328	C	S	.	.	H	α-helix	trans	-65.9	-33.5	179	-154.5	106.7	0	0	0	112.9	W160 Q171 T173 K179 R203 M206	W160-L175 HydrophobicContact CH2-CD1 4.19Å; Q171-L175 VanDerWaalsContact O-CB 3.26Å; Q171-L175 WeakPolarHBondContact O-CB 3.46Å; Q171-L175 PolarHBondContact O-N 3.11Å; T173-L175 VanDerWaalsContact C-N 3.31Å; T173-L175 PolarHBondContact O-N 2.98Å; L175-K179 VanDerWaalsContact O-CG 3.31Å; L175-K179 WeakPolarHBondContact O-CG 3.29Å; L175-K179 PolarHBondContact O-N 3.13Å; L175-R203 HydrophobicContact CD1-CG 4.29Å; L175-M206 HydrophobicContact CD1-CE 4.31Å; L175-M206 HydrophobicContact CD2-SD 4.3Å; L175-M206 HydrophobicContact CG-CE 4.11Å; L175-M206 HydrophobicContact CG-SD 4.42Å
176	K	70	Confident	62.2	Low	136 Å²	136	57.3 Å²	57.3	59%	0.591	29%	0.29	S	S	*	.	H	α-helix	trans	-67	-43	172.7	-75.5	175.6	-174.8	172.2	0	111.6	E172 T173 L174 V178 K179 E180	E172-K176 WeakPolarHBondContact O-CG 3.36Å; E172-K176 PolarHBondContact O-N 3.1Å; E172-K176 VanDerWaalsContact O-N 3.16Å; T173-K176 PolarHBondContact O-N 3.49Å; L174-K176 VanDerWaalsContact C-N 3.34Å; L174-K176 PolarHBondContact O-N 3.28Å; K176-V178 VanDerWaalsContact C-N 3.31Å; K176-V178 PolarHBondContact O-N 3.45Å; K176-K179 WeakPolarHBondContact O-CB 3.2Å; K176-K179 PolarHBondContact O-N 3.06Å; K176-E180 PolarHBondContact O-N 2.97Å
177	L	66.8	Low	63.5	Low	20 Å²	20	56.4 Å²	56.4	11%	0.105	29%	0.288	C	S	.	.	H	α-helix	trans	-62.7	-40.8	177	-175.8	63.6	0	0	0	111.3	L130 L141 L152 V156 T173 L174 K179 E180 I181	L130-L177 HydrophobicContact CD1-CD2 3.44Å; L130-L177 VanDerWaalsContact CD1-CD2 3.44Å; L141-L177 HydrophobicContact CD1-CD1 4.32Å; L152-L177 HydrophobicContact CD2-CD1 4.21Å; L152-L177 HydrophobicContact CD2-CD2 3.9Å; L152-L177 HydrophobicContact CD2-CG 4.13Å; V156-L177 HydrophobicContact CG2-CD2 3.74Å; T173-L177 PolarHBondContact O-N 3.28Å; L174-L177 WeakPolarHBondContact O-CB 3.39Å; L174-L177 PolarHBondContact O-N 3.4Å; L177-K179 VanDerWaalsContact C-N 3.35Å; L177-K179 PolarHBondContact O-N 3.1Å; L177-E180 PolarHBondContact O-N 3.36Å; L177-E180 VanDerWaalsContact O-N 3.15Å; L177-I181 HydrophobicContact CG-CD1 3.95Å; L177-I181 WeakPolarHBondContact O-CD1 3.29Å; L177-I181 VanDerWaalsContact O-CG1 3.29Å; L177-I181 WeakPolarHBondContact O-CG1 3.46Å; L177-I181 PolarHBondContact O-N 2.73Å
178	V	66.9	Low	64.2	Low	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-65.2	-38.9	176	174.6	0	0	0	0	111.3	V156 L174 K176 E180 I181 V182 L197 I201 M206	V156-V178 HydrophobicContact CG1-CG2 3.81Å; L174-V178 WeakPolarHBondContact O-CG2 3.22Å; L174-V178 PolarHBondContact O-N 3.22Å; K176-V178 VanDerWaalsContact C-N 3.31Å; K176-V178 PolarHBondContact O-N 3.45Å; V178-E180 PolarHBondContact O-N 3.03Å; V178-I181 PolarHBondContact O-N 2.72Å; V178-V182 HydrophobicContact CG1-CG2 3.93Å; V178-V182 VanDerWaalsContact O-CG2 3.29Å; V178-V182 WeakPolarHBondContact O-CG2 3.43Å; V178-V182 PolarHBondContact O-N 2.78Å; V178-L197 HydrophobicContact CG1-CD2 4.38Å; V178-I201 HydrophobicContact CB-CD1 4.19Å; V178-I201 HydrophobicContact CG1-CD1 3.87Å; V178-I201 HydrophobicContact CG2-CD1 3.26Å; V178-M206 HydrophobicContact CG1-CE 3.87Å
179	K	67.3	Low	64.5	Low	91 Å²	91	55.7 Å²	55.7	40%	0.396	29%	0.288	S	S	.	.	H	α-helix	trans	-62	-23	173.8	-78.6	175.7	179.9	-177.8	0	113.9	L175 K176 L177 P183 M206	L175-K179 VanDerWaalsContact O-CG 3.31Å; L175-K179 WeakPolarHBondContact O-CG 3.29Å; L175-K179 PolarHBondContact O-N 3.13Å; K176-K179 WeakPolarHBondContact O-CB 3.2Å; K176-K179 PolarHBondContact O-N 3.06Å; L177-K179 VanDerWaalsContact C-N 3.35Å; L177-K179 PolarHBondContact O-N 3.1Å; K179-P183 WeakPolarHBondContact O-CD 3.44Å; K179-P183 VanDerWaalsContact O-CG 3.27Å; K179-P183 WeakPolarHBondContact O-CG 3.29Å; K179-M206 HydrophobicContact CD-SD 4.28Å; K179-M206 WeakPolarHBondContact CE-SD 3.44Å; K179-M206 HydrophobicContact CG-CE 4.15Å; K179-M206 HydrophobicContact CG-SD 3.78Å
180	E	67.4	Low	64.9	Low	103 Å²	103	51.7 Å²	51.7	48%	0.481	26%	0.264	S	S	.	.	H	α-helix	trans	-89.4	-32.6	174	-68	177.7	-175.4	0	0	112.4	L141 K176 L177 V178	L141-E180 HydrophobicContact CD1-CB 4.26Å; K176-E180 PolarHBondContact O-N 2.97Å; L177-E180 PolarHBondContact O-N 3.36Å; L177-E180 VanDerWaalsContact O-N 3.15Å; V178-E180 PolarHBondContact O-N 3.03Å
181	I	66.9	Low	65.3	Low	0 Å²	0	48 Å²	48	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-70.6	-45	178.8	-67.1	158.7	0	0	0	111.9	L141 V149 L152 L177 V178 Y184 N185 L197	L141-I181 HydrophobicContact CD2-CB 4.15Å; L141-I181 HydrophobicContact CD2-CD1 4.39Å; L141-I181 HydrophobicContact CD2-CG1 3.26Å; V149-I181 HydrophobicContact CG1-CG2 3.89Å; L152-I181 HydrophobicContact CD2-CD1 3.59Å; L152-I181 HydrophobicContact CD2-CG1 4.37Å; L177-I181 HydrophobicContact CG-CD1 3.95Å; L177-I181 WeakPolarHBondContact O-CD1 3.29Å; L177-I181 VanDerWaalsContact O-CG1 3.29Å; L177-I181 WeakPolarHBondContact O-CG1 3.46Å; L177-I181 PolarHBondContact O-N 2.73Å; V178-I181 PolarHBondContact O-N 2.72Å; I181-Y184 PolarHBondContact O-N 3.42Å; I181-N185 WeakPolarHBondContact CG2-ND2 3.45Å; I181-N185 PolarHBondContact O-N 2.95Å; I181-L197 HydrophobicContact CB-CD2 4.21Å; I181-L197 HydrophobicContact CD1-CD2 4.34Å; I181-L197 HydrophobicContact CG2-CD2 3.64Å
182	V	65.1	Low	65.8	Low	2 Å²	2	49.9 Å²	49.9	1%	0.012	26%	0.256	C	S	.	.	H	α-helix	trans	-62	-49.6	-171.4	171	0	0	0	0	112.2	V178 Y184 N185 M186 L198 Y210	V178-V182 HydrophobicContact CG1-CG2 3.93Å; V178-V182 VanDerWaalsContact O-CG2 3.29Å; V178-V182 WeakPolarHBondContact O-CG2 3.43Å; V178-V182 PolarHBondContact O-N 2.78Å; V182-Y184 VanDerWaalsContact C-N 3.28Å; V182-Y184 PolarHBondContact O-N 2.85Å; V182-N185 PolarHBondContact O-N 2.84Å; V182-M186 HydrophobicContact CG1-CG 4.47Å; V182-M186 WeakPolarHBondContact O-CG 3.35Å; V182-M186 PolarHBondContact O-N 3.39Å; V182-L198 HydrophobicContact CB-CD1 4.37Å; V182-L198 HydrophobicContact CG1-CD1 3.71Å; V182-L198 HydrophobicContact CG2-CD1 3.68Å; V182-L198 HydrophobicContact CG2-CD2 4.14Å; V182-L198 HydrophobicContact CG2-CG 3.92Å; V182-Y210 HydrophobicContact CG1-CD2 4.24Å
183	P	68.6	Low	66	Low	42 Å²	42	45.7 Å²	45.7	27%	0.273	24%	0.236	S	C	.	.	H	α-helix	trans	-63.7	-32.8	177.6	-21.5	34.1	0	0	0	113.1	K179 M186 A187 Y210	K179-P183 WeakPolarHBondContact O-CD 3.44Å; K179-P183 VanDerWaalsContact O-CG 3.27Å; K179-P183 WeakPolarHBondContact O-CG 3.29Å; P183-M186 PolarHBondContact O-N 3.39Å; P183-A187 WeakPolarHBondContact O-CB 3.49Å; P183-A187 PolarHBondContact O-N 3.48Å; P183-Y210 HydrophobicContact CB-CD1 4.3Å; P183-Y210 HydrophobicContact CG-CD1 3.67Å; P183-Y210 HydrophobicContact CG-CD2 4.38Å; P183-Y210 HydrophobicContact CG-CE1 3.74Å; P183-Y210 HydrophobicContact CG-CE2 4.45Å; P183-Y210 HydrophobicContact CG-CG 4Å
184	Y	66.3	Low	66.1	Low	30 Å²	30	42.6 Å²	42.6	12%	0.118	22%	0.217	C	C	.	.	H	α-helix	trans	-67.5	-46.6	177.5	-180	-96.1	0	0	0	111.7	A142 H146 V149 I181 V182 M186 A187 H188	A142-Y184 VanDerWaalsContact CA-CE2 3.45Å; A142-Y184 HydrophobicContact CB-CD2 4.04Å; A142-Y184 HydrophobicContact CB-CE2 3.54Å; H146-Y184 AromaticContact CE1-CE1 3.91Å; H146-Y184 AromaticContact CE1-CZ 4Å; H146-Y184 AromaticContact ND1-CE1 3.91Å; V149-Y184 HydrophobicContact CB-CE1 4.43Å; V149-Y184 HydrophobicContact CG1-CD1 4.18Å; V149-Y184 HydrophobicContact CG2-CD1 4.1Å; V149-Y184 HydrophobicContact CG2-CE1 3.85Å; I181-Y184 PolarHBondContact O-N 3.42Å; V182-Y184 VanDerWaalsContact C-N 3.28Å; V182-Y184 PolarHBondContact O-N 2.85Å; Y184-M186 VanDerWaalsContact C-N 3.27Å; Y184-M186 PolarHBondContact O-N 3.47Å; Y184-A187 PolarHBondContact O-N 3.37Å; Y184-H188 AromaticContact CD2-CD2 3.62Å; Y184-H188 AromaticContact CD2-NE2 3.8Å; Y184-H188 AromaticContact CE1-CD2 3.93Å; Y184-H188 AromaticContact CE2-CD2 3.29Å; Y184-H188 WeakPolarHBondContact CE2-CD2 3.35Å; Y184-H188 AromaticContact CE2-NE2 3.19Å; Y184-H188 WeakPolarHBondContact CE2-NE2 3.37Å; Y184-H188 AromaticContact CZ-CD2 3.47Å; Y184-H188 VanDerWaalsContact CZ-CD2 3.47Å; Y184-H188 AromaticContact CZ-NE2 3.63Å; Y184-H188 PolarHBondContact O-CD2 2.97Å; Y184-H188 VanDerWaalsContact O-CD2 3.27Å; Y184-H188 PolarHBondContact O-N 3.5Å
185	N	64.2	Low	66.2	Low	2 Å²	2	42.6 Å²	42.6	1%	0.011	22%	0.217	C	C	.	.	H	α-helix	trans	-64.5	-35	177.4	-72.5	-8.9	0	0	0	111.6	V149 I181 V182 A190 A194	V149-N185 WeakPolarHBondContact CG1-OD1 3.18Å; I181-N185 WeakPolarHBondContact CG2-ND2 3.45Å; I181-N185 PolarHBondContact O-N 2.95Å; V182-N185 PolarHBondContact O-N 2.84Å; N185-A190 HydrophobicContact CB-CB 4.24Å; N185-A190 CarbonylContact O-C 3.45Å; N185-A190 WeakPolarHBondContact O-CA 3.38Å; N185-A190 PolarHBondContact O-N 3.45Å; N185-A194 HydrophobicContact CB-CB 3.84Å
186	M	62.8	Low	66.4	Low	8 Å²	8	44.1 Å²	44.1	4%	0.039	23%	0.226	C	C	.	.	H	α-helix	trans	-67.6	-43.5	175.2	-68.4	-66.4	-75.5	0	0	112.6	V182 P183 Y184 H188 E191 A194 I211 A215 V219	V182-M186 HydrophobicContact CG1-CG 4.47Å; V182-M186 WeakPolarHBondContact O-CG 3.35Å; V182-M186 PolarHBondContact O-N 3.39Å; P183-M186 PolarHBondContact O-N 3.39Å; Y184-M186 VanDerWaalsContact C-N 3.27Å; Y184-M186 PolarHBondContact O-N 3.47Å; M186-H188 PolarHBondContact O-N 3.22Å; M186-E191 HydrophobicContact SD-CB 4.16Å; M186-E191 HydrophobicContact SD-CG 4.17Å; M186-A194 HydrophobicContact CG-CB 4.38Å; M186-A194 HydrophobicContact SD-CB 4.25Å; M186-I211 HydrophobicContact CE-CB 4.32Å; M186-I211 HydrophobicContact CE-CG1 3.92Å; M186-I211 HydrophobicContact CE-CG2 4.42Å; M186-A215 HydrophobicContact CE-CB 3.73Å; M186-V219 HydrophobicContact CE-CG2 4.1Å; M186-V219 HydrophobicContact SD-CG2 4.33Å
187	A	66.3	Low	66.3	Low	71 Å²	71	38 Å²	38	59%	0.587	20%	0.199	S	C	*	.	H	α-helix	trans	-67.9	-21.9	179.7	0	0	0	0	0	113.9	P183 Y184	P183-A187 WeakPolarHBondContact O-CB 3.49Å; P183-A187 PolarHBondContact O-N 3.48Å; Y184-A187 PolarHBondContact O-N 3.37Å
188	H	65.5	Low	66.3	Low	94 Å²	94	37 Å²	37	44%	0.435	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	18.4	-176.4	-74.5	-73	0	0	0	114.7	H146 Y184 M186 A190	H146-H188 VanDerWaalsContact CE1-CB 3.43Å; H146-H188 WeakPolarHBondContact CE1-CB 3.36Å; H146-H188 AromaticContact CE1-CD2 3.99Å; H146-H188 AromaticContact CE1-CG 3.51Å; H146-H188 AromaticContact CE1-ND1 3.91Å; H146-H188 AromaticContact NE2-ND1 3.97Å; Y184-H188 AromaticContact CD2-CD2 3.62Å; Y184-H188 AromaticContact CD2-NE2 3.8Å; Y184-H188 AromaticContact CE1-CD2 3.93Å; Y184-H188 AromaticContact CE2-CD2 3.29Å; Y184-H188 WeakPolarHBondContact CE2-CD2 3.35Å; Y184-H188 AromaticContact CE2-NE2 3.19Å; Y184-H188 WeakPolarHBondContact CE2-NE2 3.37Å; Y184-H188 AromaticContact CZ-CD2 3.47Å; Y184-H188 VanDerWaalsContact CZ-CD2 3.47Å; Y184-H188 AromaticContact CZ-NE2 3.63Å; Y184-H188 PolarHBondContact O-CD2 2.97Å; Y184-H188 VanDerWaalsContact O-CD2 3.27Å; Y184-H188 PolarHBondContact O-N 3.5Å; M186-H188 PolarHBondContact O-N 3.22Å; H188-A190 VanDerWaalsContact C-N 3.26Å; H188-A190 PolarHBondContact O-N 3.42Å
189	N	62.9	Low	66.1	Low	115 Å²	115	39.1 Å²	39.1	62%	0.615	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.9	31.3	-178.7	-60.4	-23.1	0	0	0	114.1	E191	N189-E191 WeakPolarHBondContact CA-OE2 3.36Å
190	A	64	Low	66.2	Low	12 Å²	12	39 Å²	39	10%	0.099	21%	0.205	C	C	.	.			trans	-104	49.6	169.9	0	0	0	0	0	109.5	N185 H188 H192 E193 A194	N185-A190 HydrophobicContact CB-CB 4.24Å; N185-A190 CarbonylContact O-C 3.45Å; N185-A190 WeakPolarHBondContact O-CA 3.38Å; N185-A190 PolarHBondContact O-N 3.45Å; H188-A190 VanDerWaalsContact C-N 3.26Å; H188-A190 PolarHBondContact O-N 3.42Å; A190-H192 VanDerWaalsContact C-N 3.31Å; A190-H192 PolarHBondContact O-N 3.38Å; A190-E193 PolarHBondContact O-N 3.24Å; A190-A194 PolarHBondContact O-N 3.29Å
191	E	64.9	Low	66	Low	13 Å²	13	34.1 Å²	34.1	6%	0.061	18%	0.182	C	C	.	.	H	α-helix	trans	-67	-32.9	-171.5	-52.1	96.4	146.5	0	0	112.1	M186 N189 A194 C195 A215 K218 V219	M186-E191 HydrophobicContact SD-CB 4.16Å; M186-E191 HydrophobicContact SD-CG 4.17Å; N189-E191 WeakPolarHBondContact CA-OE2 3.36Å; E191-A194 PolarHBondContact O-N 2.91Å; E191-C195 PolarHBondContact O-N 2.99Å; E191-C195 VanDerWaalsContact O-N 3.1Å; E191-C195 PolarHBondContact O-SG 3.27Å; E191-A215 HydrophobicContact CG-CB 4.12Å; E191-K218 IonicContact OE1-NZ 3.42Å; E191-K218 PolarHBondContact OE1-NZ 3.1Å; E191-K218 IonicContact OE2-NZ 3.63Å; E191-V219 HydrophobicContact CB-CG2 3.78Å; E191-V219 HydrophobicContact CG-CG2 4.36Å
192	H	68.3	Low	65.9	Low	87 Å²	87	40.9 Å²	40.9	40%	0.403	21%	0.214	S	C	.	.	H	α-helix	trans	-67	-42.4	177.6	58.5	76.7	0	0	0	112.3	A190 A194 C195 D196 Y222	A190-H192 VanDerWaalsContact C-N 3.31Å; A190-H192 PolarHBondContact O-N 3.38Å; H192-A194 VanDerWaalsContact C-N 3.33Å; H192-A194 PolarHBondContact O-N 3.49Å; H192-C195 PolarHBondContact O-N 2.98Å; H192-D196 PolarHBondContact O-N 3.1Å; H192-Y222 HydrophobicContact CB-CD2 4.41Å; H192-Y222 HydrophobicContact CB-CE1 4.39Å; H192-Y222 HydrophobicContact CB-CE2 4.2Å
193	E	65.3	Low	65.7	Low	41 Å²	41	45.8 Å²	45.8	19%	0.192	23%	0.232	C	C	.	.	H	α-helix	trans	-67.7	-33.4	178.4	-83.9	171.6	-162.2	0	0	112	R150 A190 L197	R150-E193 WeakPolarHBondContact CD-OE1 3.28Å; R150-E193 IonicContact CZ-OE1 2.76Å; R150-E193 IonicContact NE-OE1 2.91Å; R150-E193 PolarHBondContact NE-OE1 3.28Å; R150-E193 IonicContact NH1-OE1 3.78Å; A190-E193 PolarHBondContact O-N 3.24Å; E193-L197 WeakPolarHBondContact O-CB 3.35Å; E193-L197 PolarHBondContact O-N 3.34Å; E193-L197 VanDerWaalsContact O-N 3.1Å
194	A	66.4	Low	65.3	Low	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-66.5	-42	172.3	0	0	0	0	0	111.7	N185 M186 A190 E191 H192 L198	N185-A194 HydrophobicContact CB-CB 3.84Å; M186-A194 HydrophobicContact CG-CB 4.38Å; M186-A194 HydrophobicContact SD-CB 4.25Å; A190-A194 PolarHBondContact O-N 3.29Å; E191-A194 PolarHBondContact O-N 2.91Å; H192-A194 VanDerWaalsContact C-N 3.33Å; H192-A194 PolarHBondContact O-N 3.49Å; A194-L198 WeakPolarHBondContact O-CB 3.46Å; A194-L198 WeakPolarHBondContact O-CD1 3.44Å; A194-L198 WeakPolarHBondContact O-CG 3.41Å; A194-L198 PolarHBondContact O-N 3.46Å; A194-L198 VanDerWaalsContact O-N 3.09Å
195	C	67.6	Low	65	Low	1 Å²	1	48.1 Å²	48.1	1%	0.007	24%	0.244	C	C	.	.	H	α-helix	trans	-65.2	-43.7	176.7	-66.4	0	0	0	0	111.7	E191 H192 L197 L198 M199 Y222	E191-C195 PolarHBondContact O-N 2.99Å; E191-C195 VanDerWaalsContact O-N 3.1Å; E191-C195 PolarHBondContact O-SG 3.27Å; H192-C195 PolarHBondContact O-N 2.98Å; C195-L197 PolarHBondContact O-N 2.93Å; C195-L198 PolarHBondContact O-N 3.04Å; C195-M199 WeakPolarHBondContact O-CB 3.28Å; C195-M199 PolarHBondContact O-N 2.94Å; C195-Y222 HydrophobicContact CB-CD1 3.76Å; C195-Y222 HydrophobicContact CB-CE1 3.82Å
196	D	71.2	Confident	64.8	Low	59 Å²	59	48.6 Å²	48.6	32%	0.316	25%	0.247	S	C	.	.	H	α-helix	trans	-60.3	-45.9	177.2	-66.6	-18	0	0	0	111.2	H192 L198 M199 E200 Y222	H192-D196 PolarHBondContact O-N 3.1Å; D196-L198 VanDerWaalsContact C-N 3.31Å; D196-L198 PolarHBondContact O-N 3.48Å; D196-M199 WeakPolarHBondContact O-CB 3.14Å; D196-M199 PolarHBondContact O-N 3.31Å; D196-E200 VanDerWaalsContact O-CG 3.31Å; D196-E200 WeakPolarHBondContact O-CG 3.49Å; D196-E200 PolarHBondContact O-N 3.2Å; D196-Y222 WeakPolarHBondContact OD1-CE1 3.1Å; D196-Y222 PolarHBondContact OD1-OH 3.38Å; D196-Y222 PolarHBondContact OD2-OH 3.12Å
197	L	67.3	Low	64.8	Low	6 Å²	6	48.2 Å²	48.2	3%	0.031	25%	0.245	C	C	.	.	H	α-helix	trans	-60.5	-40.8	176.5	-178.3	65.1	0	0	0	112.2	A153 V156 A157 V178 I181 E193 C195 M199 I201	A153-L197 HydrophobicContact CB-CD1 4.04Å; A153-L197 HydrophobicContact CB-CD2 4.08Å; A153-L197 WeakPolarHBondContact O-CD1 3.47Å; V156-L197 HydrophobicContact CB-CD1 4.49Å; V156-L197 HydrophobicContact CG1-CD1 4.35Å; A157-L197 HydrophobicContact CB-CD1 4.38Å; V178-L197 HydrophobicContact CG1-CD2 4.38Å; I181-L197 HydrophobicContact CB-CD2 4.21Å; I181-L197 HydrophobicContact CD1-CD2 4.34Å; I181-L197 HydrophobicContact CG2-CD2 3.64Å; E193-L197 WeakPolarHBondContact O-CB 3.35Å; E193-L197 PolarHBondContact O-N 3.34Å; E193-L197 VanDerWaalsContact O-N 3.1Å; C195-L197 PolarHBondContact O-N 2.93Å; L197-M199 VanDerWaalsContact C-N 3.35Å; L197-I201 HydrophobicContact CD1-CD1 3.73Å; L197-I201 HydrophobicContact CD1-CG1 4.43Å; L197-I201 HydrophobicContact CG-CD1 3.86Å; L197-I201 WeakPolarHBondContact O-CB 3.48Å; L197-I201 WeakPolarHBondContact O-CD1 3.48Å; L197-I201 WeakPolarHBondContact O-CG1 2.96Å; L197-I201 PolarHBondContact O-N 3.41Å; L197-I201 VanDerWaalsContact O-N 3.13Å
198	L	66.6	Low	64.6	Low	0 Å²	0	47 Å²	47	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-73.7	-28.6	-179.9	-76.3	153.1	0	0	0	112.6	V182 A194 C195 D196 E202 R203 M206 L207	V182-L198 HydrophobicContact CB-CD1 4.37Å; V182-L198 HydrophobicContact CG1-CD1 3.71Å; V182-L198 HydrophobicContact CG2-CD1 3.68Å; V182-L198 HydrophobicContact CG2-CD2 4.14Å; V182-L198 HydrophobicContact CG2-CG 3.92Å; A194-L198 WeakPolarHBondContact O-CB 3.46Å; A194-L198 WeakPolarHBondContact O-CD1 3.44Å; A194-L198 WeakPolarHBondContact O-CG 3.41Å; A194-L198 PolarHBondContact O-N 3.46Å; A194-L198 VanDerWaalsContact O-N 3.09Å; C195-L198 PolarHBondContact O-N 3.04Å; D196-L198 VanDerWaalsContact C-N 3.31Å; D196-L198 PolarHBondContact O-N 3.48Å; L198-E202 PolarHBondContact O-N 3.48Å; L198-R203 WeakPolarHBondContact CD2-O 3.32Å; L198-R203 PolarHBondContact O-N 2.77Å; L198-M206 HydrophobicContact CD2-CB 4.06Å; L198-M206 HydrophobicContact CD2-CE 4.34Å; L198-L207 HydrophobicContact CB-CD1 4.32Å; L198-L207 HydrophobicContact CB-CG 4.39Å; L198-L207 HydrophobicContact CD1-CD1 4.26Å; L198-L207 HydrophobicContact CD1-CD2 3.48Å; L198-L207 VanDerWaalsContact CD1-CD2 3.48Å; L198-L207 HydrophobicContact CD1-CG 3.48Å; L198-L207 VanDerWaalsContact CD1-CG 3.48Å; L198-L207 HydrophobicContact CG-CG 4.4Å
199	M	63.8	Low	64.4	Low	45 Å²	45	48.7 Å²	48.7	22%	0.222	24%	0.239	C	C	.	.	H	α-helix	trans	-66.5	-49.4	171.8	-172.9	176.1	-71.3	0	0	110.3	C195 D196 L197 I201 E202 C226 V230 L238	C195-M199 WeakPolarHBondContact O-CB 3.28Å; C195-M199 PolarHBondContact O-N 2.94Å; D196-M199 WeakPolarHBondContact O-CB 3.14Å; D196-M199 PolarHBondContact O-N 3.31Å; L197-M199 VanDerWaalsContact C-N 3.35Å; M199-I201 PolarHBondContact O-N 3.14Å; M199-E202 PolarHBondContact O-N 3.44Å; M199-E202 VanDerWaalsContact O-N 3.09Å; M199-C226 HydrophobicContact CE-CB 3.89Å; M199-V230 HydrophobicContact SD-CG2 4.33Å; M199-L238 HydrophobicContact CE-CD1 3.96Å; M199-L238 HydrophobicContact CE-CD2 3.78Å
200	E	68.1	Low	64.3	Low	87 Å²	87	46.9 Å²	46.9	41%	0.407	22%	0.224	S	C	.	.	H	α-helix	trans	-66.3	-23.1	179	-66.8	-70.3	-176.2	0	0	113.7	A157 Q161 D196	A157-E200 HydrophobicContact CB-CB 3.78Å; A157-E200 HydrophobicContact CB-CG 4.12Å; Q161-E200 PolarHBondContact NE2-OE2 3.41Å; D196-E200 VanDerWaalsContact O-CG 3.31Å; D196-E200 WeakPolarHBondContact O-CG 3.49Å; D196-E200 PolarHBondContact O-N 3.2Å
201	I	64.8	Low	64.1	Low	1 Å²	1	47.4 Å²	47.4	1%	0.005	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-4.9	178.1	-66.9	176.2	0	0	0	111.8	V156 W160 V178 L197 M199 R203	V156-I201 HydrophobicContact CG1-CD1 4.02Å; W160-I201 HydrophobicContact CB-CG1 4.44Å; W160-I201 HydrophobicContact CD2-CG1 4.41Å; W160-I201 HydrophobicContact CD2-CG2 4.13Å; W160-I201 HydrophobicContact CE3-CG2 4.48Å; W160-I201 HydrophobicContact CG-CG1 4.18Å; W160-I201 HydrophobicContact CH2-CG2 4.43Å; W160-I201 HydrophobicContact CZ2-CG2 4.06Å; W160-I201 PolarHBondContact NE1-O 2.95Å; V178-I201 HydrophobicContact CB-CD1 4.19Å; V178-I201 HydrophobicContact CG1-CD1 3.87Å; V178-I201 HydrophobicContact CG2-CD1 3.26Å; L197-I201 HydrophobicContact CD1-CD1 3.73Å; L197-I201 HydrophobicContact CD1-CG1 4.43Å; L197-I201 HydrophobicContact CG-CD1 3.86Å; L197-I201 WeakPolarHBondContact O-CB 3.48Å; L197-I201 WeakPolarHBondContact O-CD1 3.48Å; L197-I201 WeakPolarHBondContact O-CG1 2.96Å; L197-I201 PolarHBondContact O-N 3.41Å; L197-I201 VanDerWaalsContact O-N 3.13Å; M199-I201 PolarHBondContact O-N 3.14Å; I201-R203 HydrophobicContact CG2-CB 4.09Å; I201-R203 HydrophobicContact CG2-CG 4.16Å; I201-R203 PolarHBondContact O-N 3.35Å
202	E	63.9	Low	63.9	Low	142 Å²	142	51.6 Å²	51.6	66%	0.664	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	21.3	-177.5	-61.7	-178.1	166.8	0	0	113.9	L198 M199	L198-E202 PolarHBondContact O-N 3.48Å; M199-E202 PolarHBondContact O-N 3.44Å; M199-E202 VanDerWaalsContact O-N 3.09Å
203	R	61	Low	63.4	Low	105 Å²	105	53.1 Å²	53.1	40%	0.396	26%	0.259	S	S	.	.			trans	-116.7	59.7	179.4	-67.7	-65.6	-64.9	-93.8	0.8	111.1	L175 L198 I201 D205 M206	L175-R203 HydrophobicContact CD1-CG 4.29Å; L198-R203 WeakPolarHBondContact CD2-O 3.32Å; L198-R203 PolarHBondContact O-N 2.77Å; I201-R203 HydrophobicContact CG2-CB 4.09Å; I201-R203 HydrophobicContact CG2-CG 4.16Å; I201-R203 PolarHBondContact O-N 3.35Å; R203-D205 PolarHBondContact O-N 3.29Å; R203-M206 PolarHBondContact O-N 3.06Å
204	L	60.7	Low	63.2	Low	21 Å²	21	58.3 Å²	58.3	11%	0.11	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-60.2	-25.4	177	-66.5	163.1	0	0	0	112.8	M206 L207 L238 C241	L204-M206 PolarHBondContact O-N 3.29Å; L204-L207 HydrophobicContact CD2-CD1 3.83Å; L204-L207 VanDerWaalsContact O-CB 3.3Å; L204-L207 WeakPolarHBondContact O-CB 3.34Å; L204-L207 PolarHBondContact O-N 2.69Å; L204-L238 HydrophobicContact CD1-CD2 3.46Å; L204-L238 VanDerWaalsContact CD1-CD2 3.46Å; L204-L238 HydrophobicContact CD1-CG 4Å; L204-L238 HydrophobicContact CD2-CD2 3.68Å; L204-L238 HydrophobicContact CG-CD2 4.22Å; L204-C241 HydrophobicContact CB-CB 4.05Å; L204-C241 PolarHBondContact O-SG 3.23Å; L204-C241 VanDerWaalsContact O-SG 3.34Å
205	D	60.2	Low	62.9	Low	100 Å²	100	58.5 Å²	58.5	54%	0.535	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-56.3	-26.1	177.5	-52.7	-28.1	0	0	0	113.7	R203 L207 E208	R203-D205 PolarHBondContact O-N 3.29Å; D205-L207 VanDerWaalsContact C-N 3.31Å; D205-E208 PolarHBondContact O-N 3.42Å
206	M	59.7	Low	62.8	Low	12 Å²	12	60 Å²	60	6%	0.059	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-76.8	-17.8	-179.8	-64.4	-151.2	-62.3	0	0	113.3	L175 V178 K179 L198 R203 L204 E208 L209 Y210	L175-M206 HydrophobicContact CD1-CE 4.31Å; L175-M206 HydrophobicContact CD2-SD 4.3Å; L175-M206 HydrophobicContact CG-CE 4.11Å; L175-M206 HydrophobicContact CG-SD 4.42Å; V178-M206 HydrophobicContact CG1-CE 3.87Å; K179-M206 HydrophobicContact CD-SD 4.28Å; K179-M206 WeakPolarHBondContact CE-SD 3.44Å; K179-M206 HydrophobicContact CG-CE 4.15Å; K179-M206 HydrophobicContact CG-SD 3.78Å; L198-M206 HydrophobicContact CD2-CB 4.06Å; L198-M206 HydrophobicContact CD2-CE 4.34Å; R203-M206 PolarHBondContact O-N 3.06Å; L204-M206 PolarHBondContact O-N 3.29Å; M206-E208 PolarHBondContact O-N 3.31Å; M206-L209 PolarHBondContact O-N 3.49Å; M206-Y210 VanDerWaalsContact O-CD2 3.27Å; M206-Y210 WeakPolarHBondContact O-CD2 3.49Å
207	L	62.8	Low	62.5	Low	1 Å²	1	59.2 Å²	59.2	1%	0.005	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-58.5	-36.3	170.9	-80.3	157.4	0	0	0	110.4	L198 L204 D205 L209 Y210 I211 I245	L198-L207 HydrophobicContact CB-CD1 4.32Å; L198-L207 HydrophobicContact CB-CG 4.39Å; L198-L207 HydrophobicContact CD1-CD1 4.26Å; L198-L207 HydrophobicContact CD1-CD2 3.48Å; L198-L207 VanDerWaalsContact CD1-CD2 3.48Å; L198-L207 HydrophobicContact CD1-CG 3.48Å; L198-L207 VanDerWaalsContact CD1-CG 3.48Å; L198-L207 HydrophobicContact CG-CG 4.4Å; L204-L207 HydrophobicContact CD2-CD1 3.83Å; L204-L207 VanDerWaalsContact O-CB 3.3Å; L204-L207 WeakPolarHBondContact O-CB 3.34Å; L204-L207 PolarHBondContact O-N 2.69Å; D205-L207 VanDerWaalsContact C-N 3.31Å; L207-L209 PolarHBondContact O-N 3.49Å; L207-Y210 PolarHBondContact O-N 2.92Å; L207-I211 HydrophobicContact CB-CD1 4.23Å; L207-I211 WeakPolarHBondContact O-CD1 3.49Å; L207-I211 WeakPolarHBondContact O-CG1 3.43Å; L207-I245 HydrophobicContact CB-CD1 4.26Å
208	E	60.7	Low	62.4	Low	45 Å²	45	63.9 Å²	63.9	21%	0.21	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-68	-11.8	-172	-45.9	-174.8	168.6	0	0	115.4	D205 M206 N244 K248	D205-E208 PolarHBondContact O-N 3.42Å; M206-E208 PolarHBondContact O-N 3.31Å; E208-N244 WeakPolarHBondContact OE1-CB 3.46Å; E208-N244 PolarHBondContact OE1-ND2 3.13Å; E208-K248 HydrophobicContact CB-CD 4.41Å; E208-K248 PolarHBondContact O-NZ 3.45Å; E208-K248 WeakPolarHBondContact OE2-CE 3.21Å; E208-K248 IonicContact OE2-NZ 3.44Å; E208-K248 PolarHBondContact OE2-NZ 3.41Å
209	L	62.3	Low	62.5	Low	130 Å²	130	63.9 Å²	63.9	68%	0.681	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-97.3	-17.6	-177.9	-72.1	167.5	0	0	0	113.4	M206 L207	M206-L209 PolarHBondContact O-N 3.49Å; L207-L209 PolarHBondContact O-N 3.49Å
210	Y	60.6	Low	62.5	Low	77 Å²	77	61.9 Å²	61.9	30%	0.302	31%	0.307	S	S	.	.	S	Bend	trans	-125.7	15.1	-166.7	-58.3	-66	0	0	0	114.3	V182 P183 M206 L207	V182-Y210 HydrophobicContact CG1-CD2 4.24Å; P183-Y210 HydrophobicContact CB-CD1 4.3Å; P183-Y210 HydrophobicContact CG-CD1 3.67Å; P183-Y210 HydrophobicContact CG-CD2 4.38Å; P183-Y210 HydrophobicContact CG-CE1 3.74Å; P183-Y210 HydrophobicContact CG-CE2 4.45Å; P183-Y210 HydrophobicContact CG-CG 4Å; M206-Y210 VanDerWaalsContact O-CD2 3.27Å; M206-Y210 WeakPolarHBondContact O-CD2 3.49Å; L207-Y210 PolarHBondContact O-N 2.92Å
211	I	60.7	Low	62.6	Low	22 Å²	22	62.3 Å²	62.3	11%	0.113	31%	0.312	C	S	.	.			trans	-90.5	130.5	178.5	-61.7	156.6	0	0	0	110	M186 L207 I245 F249	M186-I211 HydrophobicContact CE-CB 4.32Å; M186-I211 HydrophobicContact CE-CG1 3.92Å; M186-I211 HydrophobicContact CE-CG2 4.42Å; L207-I211 HydrophobicContact CB-CD1 4.23Å; L207-I211 WeakPolarHBondContact O-CD1 3.49Å; L207-I211 WeakPolarHBondContact O-CG1 3.43Å; I211-I245 HydrophobicContact CD1-CB 4.26Å; I211-I245 HydrophobicContact CD1-CD1 3.48Å; I211-I245 VanDerWaalsContact CD1-CD1 3.48Å; I211-I245 HydrophobicContact CD1-CG1 3.54Å; I211-I245 HydrophobicContact CD1-CG2 3.69Å; I211-F249 HydrophobicContact CB-CE2 3.88Å; I211-F249 HydrophobicContact CB-CZ 3.83Å; I211-F249 HydrophobicContact CG2-CE2 3.42Å; I211-F249 VanDerWaalsContact CG2-CE2 3.42Å; I211-F249 HydrophobicContact CG2-CZ 3.42Å; I211-F249 VanDerWaalsContact CG2-CZ 3.42Å; I211-F249 WeakPolarHBondContact O-CZ 3.45Å
212	D	60.7	Low	62.9	Low	102 Å²	102	65.2 Å²	65.2	55%	0.545	32%	0.323	S	S	.	.			trans	-95.6	158.7	172.7	-71.8	-37.6	0	0	0	112.2	N214 A215 Y216	D212-N214 PolarHBondContact O-N 2.89Å; D212-A215 PolarHBondContact O-N 3.44Å; D212-Y216 PolarHBondContact O-N 3.39Å
213	D	57.5	Low	63.1	Low	118 Å²	118	58.5 Å²	58.5	63%	0.631	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-16.8	179.6	-74.3	-22.9	0	0	0	115.2	Y216 F249	D213-Y216 VanDerWaalsContact C-CD1 3.49Å; D213-Y216 HydrophobicContact CB-CE1 4.49Å; D213-Y216 WeakPolarHBondContact O-CD1 3.4Å; D213-Y216 WeakPolarHBondContact O-CE1 3.31Å; D213-F249 WeakPolarHBondContact OD1-CD1 3.28Å; D213-F249 VanDerWaalsContact OD1-CE1 3.28Å; D213-F249 WeakPolarHBondContact OD1-CE1 3.32Å
214	N	60.3	Low	63.4	Low	150 Å²	150	54 Å²	54	80%	0.802	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	-20.6	176.6	-68.8	-46.7	0	0	0	113.1	D212	D212-N214 PolarHBondContact O-N 2.89Å
215	A	61.3	Low	63.7	Low	5 Å²	5	54.9 Å²	54.9	4%	0.041	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-27.8	-176	0	0	0	0	0	112.3	M186 E191 D212 A217 K218 V219	M186-A215 HydrophobicContact CE-CB 3.73Å; E191-A215 HydrophobicContact CG-CB 4.12Å; D212-A215 PolarHBondContact O-N 3.44Å; A215-A217 VanDerWaalsContact C-N 3.31Å; A215-A217 PolarHBondContact O-N 3.07Å; A215-K218 PolarHBondContact O-N 3.24Å; A215-V219 WeakPolarHBondContact O-CG2 3.47Å; A215-V219 PolarHBondContact O-N 2.85Å
216	Y	64.4	Low	63.9	Low	33 Å²	33	50.7 Å²	50.7	13%	0.129	26%	0.263	C	S	.	.	H	α-helix	trans	-57.7	-40.6	-175.6	74.6	-100.4	0	0	0	112.9	D212 D213 K218 V219 C220 F249 R251	D212-Y216 PolarHBondContact O-N 3.39Å; D213-Y216 VanDerWaalsContact C-CD1 3.49Å; D213-Y216 HydrophobicContact CB-CE1 4.49Å; D213-Y216 WeakPolarHBondContact O-CD1 3.4Å; D213-Y216 WeakPolarHBondContact O-CE1 3.31Å; Y216-K218 VanDerWaalsContact C-N 3.34Å; Y216-K218 PolarHBondContact O-N 3.09Å; Y216-V219 PolarHBondContact O-N 3.09Å; Y216-C220 VanDerWaalsContact O-CB 3.22Å; Y216-C220 WeakPolarHBondContact O-CB 3.28Å; Y216-C220 PolarHBondContact O-N 3.34Å; Y216-C220 PolarHBondContact O-SG 2.96Å; Y216-F249 AromaticContact CD1-CD1 3.73Å; Y216-F249 HydrophobicContact CD1-CD1 3.73Å; Y216-F249 HydrophobicContact CD1-CD2 4.27Å; Y216-F249 AromaticContact CD1-CE1 3.94Å; Y216-F249 HydrophobicContact CD1-CE1 3.94Å; Y216-F249 HydrophobicContact CD1-CE2 4.48Å; Y216-F249 AromaticContact CD1-CG 3.93Å; Y216-F249 HydrophobicContact CD1-CG 3.93Å; Y216-F249 HydrophobicContact CD1-CZ 4.34Å; Y216-F249 HydrophobicContact CE1-CD1 4.15Å; Y216-F249 HydrophobicContact CE1-CG 4.44Å; Y216-F249 HydrophobicContact CG-CD1 4.24Å; Y216-F249 AromaticContact CG-CD2 3.96Å; Y216-F249 HydrophobicContact CG-CD2 3.96Å; Y216-F249 HydrophobicContact CG-CE2 4.27Å; Y216-F249 AromaticContact CG-CG 3.98Å; Y216-F249 HydrophobicContact CG-CG 3.98Å; Y216-R251 PolarHBondContact OH-NE 2.88Å; Y216-R251 PolarHBondContact OH-NH2 2.85Å
217	A	65.1	Low	64.1	Low	42 Å²	42	51 Å²	51	35%	0.347	27%	0.265	S	S	.	.	H	α-helix	trans	-63.5	-40.8	-176.3	0	0	0	0	0	111.8	A215 L221	A215-A217 VanDerWaalsContact C-N 3.31Å; A215-A217 PolarHBondContact O-N 3.07Å; A217-L221 WeakPolarHBondContact O-CB 3.4Å; A217-L221 WeakPolarHBondContact O-CD1 3.49Å; A217-L221 WeakPolarHBondContact O-CG 3.35Å; A217-L221 PolarHBondContact O-N 3.34Å; A217-L221 VanDerWaalsContact O-N 3.11Å
218	K	66.3	Low	64	Low	103 Å²	103	54 Å²	54	45%	0.448	29%	0.286	S	S	.	.	H	α-helix	trans	-73.9	-43.8	177.3	-67.2	-178.1	-166.6	162.4	0	112.1	E191 A215 Y216 C220 L221 Y222	E191-K218 IonicContact OE1-NZ 3.42Å; E191-K218 PolarHBondContact OE1-NZ 3.1Å; E191-K218 IonicContact OE2-NZ 3.63Å; A215-K218 PolarHBondContact O-N 3.24Å; Y216-K218 VanDerWaalsContact C-N 3.34Å; Y216-K218 PolarHBondContact O-N 3.09Å; K218-C220 VanDerWaalsContact C-N 3.34Å; K218-C220 PolarHBondContact O-N 2.91Å; K218-L221 PolarHBondContact O-N 3.41Å; K218-Y222 VanDerWaalsContact O-CB 3.32Å; K218-Y222 WeakPolarHBondContact O-CB 3.4Å; K218-Y222 PolarHBondContact O-N 3.33Å
219	V	66.8	Low	64.2	Low	1 Å²	1	60.3 Å²	60.3	1%	0.006	31%	0.309	C	S	.	.	H	α-helix	trans	-60.6	-45.3	178.7	168.8	0	0	0	0	110.5	M186 E191 A215 Y216 Y222 L223	M186-V219 HydrophobicContact CE-CG2 4.1Å; M186-V219 HydrophobicContact SD-CG2 4.33Å; E191-V219 HydrophobicContact CB-CG2 3.78Å; E191-V219 HydrophobicContact CG-CG2 4.36Å; A215-V219 WeakPolarHBondContact O-CG2 3.47Å; A215-V219 PolarHBondContact O-N 2.85Å; Y216-V219 PolarHBondContact O-N 3.09Å; V219-Y222 PolarHBondContact O-N 3.34Å; V219-L223 HydrophobicContact CG1-CD1 3.81Å; V219-L223 HydrophobicContact CG1-CG 4.44Å; V219-L223 WeakPolarHBondContact O-CB 3.16Å; V219-L223 WeakPolarHBondContact O-CG 3.46Å; V219-L223 PolarHBondContact O-N 3.34Å
220	C	65.8	Low	64.2	Low	3 Å²	3	55.2 Å²	55.2	2%	0.02	28%	0.283	C	S	.	.	H	α-helix	trans	-68.6	-39	178.1	-66.5	0	0	0	0	112.8	Y216 K218 Y222 T224 F246	Y216-C220 VanDerWaalsContact O-CB 3.22Å; Y216-C220 WeakPolarHBondContact O-CB 3.28Å; Y216-C220 PolarHBondContact O-N 3.34Å; Y216-C220 PolarHBondContact O-SG 2.96Å; K218-C220 VanDerWaalsContact C-N 3.34Å; K218-C220 PolarHBondContact O-N 2.91Å; C220-Y222 VanDerWaalsContact C-N 3.31Å; C220-T224 VanDerWaalsContact O-CB 3.31Å; C220-T224 WeakPolarHBondContact O-CB 3.47Å; C220-T224 PolarHBondContact O-N 3.21Å; C220-T224 PolarHBondContact O-OG1 2.97Å; C220-F246 HydrophobicContact CB-CE1 3.94Å; C220-F246 HydrophobicContact CB-CE2 3.61Å; C220-F246 HydrophobicContact CB-CZ 3.24Å; C220-F246 VanDerWaalsContact SG-CZ 3.56Å
221	L	68.9	Low	64.1	Low	95 Å²	95	55.6 Å²	55.6	50%	0.497	30%	0.295	S	S	.	.	H	α-helix	trans	-61.4	-42.6	172.6	-78.9	167.8	0	0	0	111.1	A217 K218 T224 S225	A217-L221 WeakPolarHBondContact O-CB 3.4Å; A217-L221 WeakPolarHBondContact O-CD1 3.49Å; A217-L221 WeakPolarHBondContact O-CG 3.35Å; A217-L221 PolarHBondContact O-N 3.34Å; A217-L221 VanDerWaalsContact O-N 3.11Å; K218-L221 PolarHBondContact O-N 3.41Å; L221-T224 PolarHBondContact O-N 3.27Å; L221-S225 PolarHBondContact O-N 2.99Å; L221-S225 PolarHBondContact O-OG 3.4Å
222	Y	70.8	Confident	63.6	Low	62 Å²	62	58.9 Å²	58.9	24%	0.243	31%	0.31	C	S	.	.	H	α-helix	trans	-62.7	-53.5	177.2	-173.7	-109.8	0	0	0	111.3	H192 C195 D196 K218 V219 C220 T224 S225 C226	H192-Y222 HydrophobicContact CB-CD2 4.41Å; H192-Y222 HydrophobicContact CB-CE1 4.39Å; H192-Y222 HydrophobicContact CB-CE2 4.2Å; C195-Y222 HydrophobicContact CB-CD1 3.76Å; C195-Y222 HydrophobicContact CB-CE1 3.82Å; D196-Y222 WeakPolarHBondContact OD1-CE1 3.1Å; D196-Y222 PolarHBondContact OD1-OH 3.38Å; D196-Y222 PolarHBondContact OD2-OH 3.12Å; K218-Y222 VanDerWaalsContact O-CB 3.32Å; K218-Y222 WeakPolarHBondContact O-CB 3.4Å; K218-Y222 PolarHBondContact O-N 3.33Å; V219-Y222 PolarHBondContact O-N 3.34Å; C220-Y222 VanDerWaalsContact C-N 3.31Å; Y222-T224 VanDerWaalsContact C-N 3.29Å; Y222-T224 PolarHBondContact O-N 3.49Å; Y222-S225 CarbonylContact O-C 3.58Å; Y222-S225 WeakPolarHBondContact O-CA 3.34Å; Y222-S225 PolarHBondContact O-N 3.02Å; Y222-S225 PolarHBondContact O-OG 3.06Å; Y222-C226 VanDerWaalsContact CE1-SG 3.57Å; Y222-C226 PolarHBondContact O-N 3.28Å; Y222-C226 PolarHBondContact O-SG 3.16Å
223	L	68.6	Low	63.5	Low	1 Å²	1	57.9 Å²	57.9	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-56.8	-42.8	177.2	-73.5	167.4	0	0	0	111.9	V219 S225 C226 V227 L238 S242 I245	V219-L223 HydrophobicContact CG1-CD1 3.81Å; V219-L223 HydrophobicContact CG1-CG 4.44Å; V219-L223 WeakPolarHBondContact O-CB 3.16Å; V219-L223 WeakPolarHBondContact O-CG 3.46Å; V219-L223 PolarHBondContact O-N 3.34Å; L223-S225 VanDerWaalsContact C-N 3.29Å; L223-S225 PolarHBondContact O-N 3.34Å; L223-C226 PolarHBondContact O-N 3.03Å; L223-V227 WeakPolarHBondContact O-CG2 3.41Å; L223-V227 PolarHBondContact O-N 2.85Å; L223-V227 VanDerWaalsContact O-N 3.08Å; L223-L238 HydrophobicContact CD2-CD2 3.87Å; L223-S242 WeakPolarHBondContact CB-OG 3.35Å; L223-S242 WeakPolarHBondContact CD1-OG 3.3Å; L223-I245 HydrophobicContact CD1-CD1 4.16Å
224	T	66.8	Low	63.7	Low	12 Å²	12	56.8 Å²	56.8	7%	0.074	30%	0.3	C	S	.	.	H	α-helix	trans	-64.9	-32.3	176.7	-51.2	0	0	0	0	112	C220 L221 Y222 V227	C220-T224 VanDerWaalsContact O-CB 3.31Å; C220-T224 WeakPolarHBondContact O-CB 3.47Å; C220-T224 PolarHBondContact O-N 3.21Å; C220-T224 PolarHBondContact O-OG1 2.97Å; L221-T224 PolarHBondContact O-N 3.27Å; Y222-T224 VanDerWaalsContact C-N 3.29Å; Y222-T224 PolarHBondContact O-N 3.49Å; T224-V227 WeakPolarHBondContact O-CB 3.3Å
225	S	67.1	Low	63.9	Low	38 Å²	38	50.8 Å²	50.8	27%	0.266	27%	0.268	S	S	.	.	H	α-helix	trans	-75.4	-33	173.7	68.6	0	0	0	0	112.7	L221 Y222 L223 V227 S228 Y229	L221-S225 PolarHBondContact O-N 2.99Å; L221-S225 PolarHBondContact O-OG 3.4Å; Y222-S225 CarbonylContact O-C 3.58Å; Y222-S225 WeakPolarHBondContact O-CA 3.34Å; Y222-S225 PolarHBondContact O-N 3.02Å; Y222-S225 PolarHBondContact O-OG 3.06Å; L223-S225 VanDerWaalsContact C-N 3.29Å; L223-S225 PolarHBondContact O-N 3.34Å; S225-V227 VanDerWaalsContact C-N 3.29Å; S225-V227 PolarHBondContact O-N 3.2Å; S225-S228 PolarHBondContact O-N 3.35Å; S225-Y229 WeakPolarHBondContact O-CD2 3.46Å; S225-Y229 WeakPolarHBondContact O-CE2 3.45Å
226	C	65.4	Low	64.1	Low	13 Å²	13	52.5 Å²	52.5	9%	0.088	28%	0.28	C	S	.	.	H	α-helix	trans	-68.3	-28.4	176.2	-64.8	0	0	0	0	112.5	M199 Y222 L223 S228 Y229 V230	M199-C226 HydrophobicContact CE-CB 3.89Å; Y222-C226 VanDerWaalsContact CE1-SG 3.57Å; Y222-C226 PolarHBondContact O-N 3.28Å; Y222-C226 PolarHBondContact O-SG 3.16Å; L223-C226 PolarHBondContact O-N 3.03Å; C226-S228 PolarHBondContact O-N 3.08Å; C226-Y229 PolarHBondContact O-N 3.26Å; C226-V230 WeakPolarHBondContact O-CG2 3.09Å; C226-V230 PolarHBondContact O-N 2.66Å
227	V	62.6	Low	64.3	Low	19 Å²	19	53.1 Å²	53.1	12%	0.115	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-36.6	175.6	155.1	0	0	0	0	112.8	L223 T224 S225 Y229 N235 L239	L223-V227 WeakPolarHBondContact O-CG2 3.41Å; L223-V227 PolarHBondContact O-N 2.85Å; L223-V227 VanDerWaalsContact O-N 3.08Å; T224-V227 WeakPolarHBondContact O-CB 3.3Å; S225-V227 VanDerWaalsContact C-N 3.29Å; S225-V227 PolarHBondContact O-N 3.2Å; V227-Y229 VanDerWaalsContact C-N 3.28Å; V227-Y229 PolarHBondContact O-N 3.12Å; V227-N235 WeakPolarHBondContact CG1-OD1 3.26Å; V227-N235 WeakPolarHBondContact CG2-OD1 3.1Å; V227-L239 HydrophobicContact CG1-CD1 4.46Å; V227-L239 HydrophobicContact CG1-CD2 4.33Å; V227-L239 HydrophobicContact CG1-CG 4.5Å; V227-L239 HydrophobicContact CG2-CD2 3.68Å; V227-L239 HydrophobicContact CG2-CG 3.77Å
228	S	61.4	Low	64.5	Low	64 Å²	64	51.3 Å²	51.3	45%	0.448	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-18.1	178.4	-57.8	0	0	0	0	113.9	S225 C226	S225-S228 PolarHBondContact O-N 3.35Å; C226-S228 PolarHBondContact O-N 3.08Å
229	Y	65.1	Low	64.6	Low	177 Å²	177	46.9 Å²	46.9	69%	0.694	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	-12.7	-176	-61.2	-68.4	0	0	0	113.3	S225 C226 V227	S225-Y229 WeakPolarHBondContact O-CD2 3.46Å; S225-Y229 WeakPolarHBondContact O-CE2 3.45Å; C226-Y229 PolarHBondContact O-N 3.26Å; V227-Y229 VanDerWaalsContact C-N 3.28Å; V227-Y229 PolarHBondContact O-N 3.12Å
230	V	62.8	Low	64.9	Low	22 Å²	22	51.5 Å²	51.5	13%	0.133	28%	0.278	C	S	.	.	S	Bend	trans	-101	130.7	-175.5	176	0	0	0	0	110.1	M199 C226 E234 L238	M199-V230 HydrophobicContact SD-CG2 4.33Å; C226-V230 WeakPolarHBondContact O-CG2 3.09Å; C226-V230 PolarHBondContact O-N 2.66Å; V230-E234 HydrophobicContact CG1-CB 3.44Å; V230-E234 VanDerWaalsContact CG1-CB 3.44Å; V230-L238 HydrophobicContact CB-CD1 4.03Å; V230-L238 HydrophobicContact CG1-CD1 3.89Å; V230-L238 HydrophobicContact CG2-CD1 3.85Å
231	P	58	Low	64.9	Low	85 Å²	85	51.5 Å²	51.5	55%	0.552	28%	0.278	S	S	*	.	P	Polyproline II helix	trans	-67	151.7	176.4	27.4	-33.1	0	0	0	112.6	E234 N235	P231-E234 PolarHBondContact O-N 3.37Å; P231-N235 PolarHBondContact O-N 3.37Å
232	E	50.2	Low	64.8	Low	92 Å²	92	47 Å²	47	43%	0.43	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	128.2	164.6	-64.9	178.4	-179.7	0	0	108	N235	E232-N235 HydrophobicContact CG-CB 4.47Å
233	P	58.6	Low	64.8	Low	81 Å²	81	44.1 Å²	44.1	53%	0.526	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	cis	-100.4	-10.1	29	35.4	-35.5	0	0	0	117.2	N235 S236	P233-N235 VanDerWaalsContact C-N 3.29Å; P233-N235 PolarHBondContact O-N 3.03Å; P233-S236 PolarHBondContact O-N 3.05Å; P233-S236 PolarHBondContact O-OG 2.97Å
234	E	61.2	Low	64.8	Low	94 Å²	94	46.7 Å²	46.7	44%	0.439	26%	0.257	S	S	.	.	H	α-helix	trans	-65	-32.3	-179	-74.7	169.7	-154.5	0	0	112.5	V230 P231 S236 A237 L238	V230-E234 HydrophobicContact CG1-CB 3.44Å; V230-E234 VanDerWaalsContact CG1-CB 3.44Å; P231-E234 PolarHBondContact O-N 3.37Å; E234-S236 VanDerWaalsContact C-N 3.29Å; E234-S236 PolarHBondContact O-N 2.87Å; E234-A237 PolarHBondContact O-N 3.47Å; E234-A237 VanDerWaalsContact O-N 3.13Å; E234-L238 WeakPolarHBondContact O-CG 3.29Å; E234-L238 PolarHBondContact O-N 3.34Å
235	N	65.1	Low	65	Low	24 Å²	24	46.1 Å²	46.1	13%	0.128	25%	0.253	C	S	.	.	H	α-helix	trans	-55.3	-43.2	173.5	-174.2	5.7	0	0	0	112.2	V227 P231 E232 P233 A237 L238 L239	V227-N235 WeakPolarHBondContact CG1-OD1 3.26Å; V227-N235 WeakPolarHBondContact CG2-OD1 3.1Å; P231-N235 PolarHBondContact O-N 3.37Å; E232-N235 HydrophobicContact CG-CB 4.47Å; P233-N235 VanDerWaalsContact C-N 3.29Å; P233-N235 PolarHBondContact O-N 3.03Å; N235-A237 VanDerWaalsContact C-N 3.31Å; N235-A237 PolarHBondContact O-N 3.41Å; N235-L238 PolarHBondContact O-N 3.14Å; N235-L239 WeakPolarHBondContact O-CB 3.48Å; N235-L239 WeakPolarHBondContact O-CG 3.2Å; N235-L239 PolarHBondContact O-N 2.67Å; N235-L239 WeakPolarHBondContact OD1-CD1 3.36Å
236	S	66.4	Low	65.1	Low	41 Å²	41	45 Å²	45	29%	0.287	24%	0.243	S	C	.	.	H	α-helix	trans	-65.1	-35.4	179	77.9	0	0	0	0	112.4	P233 E234 K240	P233-S236 PolarHBondContact O-N 3.05Å; P233-S236 PolarHBondContact O-OG 2.97Å; E234-S236 VanDerWaalsContact C-N 3.29Å; E234-S236 PolarHBondContact O-N 2.87Å; S236-K240 WeakPolarHBondContact O-CB 3.47Å; S236-K240 WeakPolarHBondContact O-CG 3.07Å; S236-K240 PolarHBondContact O-N 2.92Å
237	A	68.3	Low	65.2	Low	47 Å²	47	47.5 Å²	47.5	39%	0.388	25%	0.251	S	S	.	.	H	α-helix	trans	-71.2	-40.7	176.9	0	0	0	0	0	111.6	E234 N235 K240 C241	E234-A237 PolarHBondContact O-N 3.47Å; E234-A237 VanDerWaalsContact O-N 3.13Å; N235-A237 VanDerWaalsContact C-N 3.31Å; N235-A237 PolarHBondContact O-N 3.41Å; A237-K240 PolarHBondContact O-N 3.32Å; A237-C241 WeakPolarHBondContact O-CB 3.45Å; A237-C241 PolarHBondContact O-N 2.85Å
238	L	67.8	Low	65.5	Low	3 Å²	3	51.6 Å²	51.6	2%	0.016	27%	0.267	C	S	.	.	H	α-helix	trans	-63	-43.5	175	-72.2	167.9	0	0	0	112.2	M199 L204 L223 V230 E234 N235 C241 S242	M199-L238 HydrophobicContact CE-CD1 3.96Å; M199-L238 HydrophobicContact CE-CD2 3.78Å; L204-L238 HydrophobicContact CD1-CD2 3.46Å; L204-L238 VanDerWaalsContact CD1-CD2 3.46Å; L204-L238 HydrophobicContact CD1-CG 4Å; L204-L238 HydrophobicContact CD2-CD2 3.68Å; L204-L238 HydrophobicContact CG-CD2 4.22Å; L223-L238 HydrophobicContact CD2-CD2 3.87Å; V230-L238 HydrophobicContact CB-CD1 4.03Å; V230-L238 HydrophobicContact CG1-CD1 3.89Å; V230-L238 HydrophobicContact CG2-CD1 3.85Å; E234-L238 WeakPolarHBondContact O-CG 3.29Å; E234-L238 PolarHBondContact O-N 3.34Å; N235-L238 PolarHBondContact O-N 3.14Å; L238-C241 PolarHBondContact O-N 3.49Å; L238-S242 WeakPolarHBondContact O-CB 3.47Å; L238-S242 PolarHBondContact O-N 2.85Å; L238-S242 PolarHBondContact O-OG 3.22Å
239	L	69.4	Low	65.6	Low	10 Å²	10	50.4 Å²	50.4	5%	0.052	25%	0.254	C	S	.	.	H	α-helix	trans	-64.6	-42.3	175.6	-74.9	168.3	0	0	0	111.5	V227 N235 S242 L243 L258 M261 L262	V227-L239 HydrophobicContact CG1-CD1 4.46Å; V227-L239 HydrophobicContact CG1-CD2 4.33Å; V227-L239 HydrophobicContact CG1-CG 4.5Å; V227-L239 HydrophobicContact CG2-CD2 3.68Å; V227-L239 HydrophobicContact CG2-CG 3.77Å; N235-L239 WeakPolarHBondContact O-CB 3.48Å; N235-L239 WeakPolarHBondContact O-CG 3.2Å; N235-L239 PolarHBondContact O-N 2.67Å; N235-L239 WeakPolarHBondContact OD1-CD1 3.36Å; L239-S242 PolarHBondContact O-N 3.09Å; L239-L243 VanDerWaalsContact O-CB 3.25Å; L239-L243 WeakPolarHBondContact O-CB 3.45Å; L239-L243 PolarHBondContact O-N 3.1Å; L239-L258 HydrophobicContact CD2-CD2 3.57Å; L239-M261 HydrophobicContact CD2-SD 4Å; L239-L262 HydrophobicContact CB-CD1 3.85Å; L239-L262 HydrophobicContact CB-CD2 3.65Å; L239-L262 HydrophobicContact CB-CG 3.76Å; L239-L262 HydrophobicContact CD1-CD2 3.83Å; L239-L262 HydrophobicContact CD1-CG 4.15Å; L239-L262 HydrophobicContact CG-CD2 4.4Å
240	K	72	Confident	65.5	Low	98 Å²	98	47 Å²	47	43%	0.426	25%	0.248	S	C	.	.	H	α-helix	trans	-63.6	-42.8	175.8	-77.2	172.4	-178.1	176	0	112.3	S236 A237 L243 N244 L262	S236-K240 WeakPolarHBondContact O-CB 3.47Å; S236-K240 WeakPolarHBondContact O-CG 3.07Å; S236-K240 PolarHBondContact O-N 2.92Å; A237-K240 PolarHBondContact O-N 3.32Å; K240-L243 WeakPolarHBondContact O-CB 3.32Å; K240-L243 PolarHBondContact O-N 3.48Å; K240-N244 PolarHBondContact O-N 2.83Å; K240-L262 HydrophobicContact CG-CD1 3.76Å; K240-L262 HydrophobicContact CG-CD2 4.49Å
241	C	66.9	Low	65.6	Low	4 Å²	4	50 Å²	50	3%	0.027	26%	0.257	C	S	.	.	H	α-helix	trans	-63.4	-46.6	174.9	-179.1	0	0	0	0	111.2	L204 A237 L238 L243 N244 I245	L204-C241 HydrophobicContact CB-CB 4.05Å; L204-C241 PolarHBondContact O-SG 3.23Å; L204-C241 VanDerWaalsContact O-SG 3.34Å; A237-C241 WeakPolarHBondContact O-CB 3.45Å; A237-C241 PolarHBondContact O-N 2.85Å; L238-C241 PolarHBondContact O-N 3.49Å; C241-L243 VanDerWaalsContact C-N 3.28Å; C241-L243 PolarHBondContact O-N 2.89Å; C241-N244 PolarHBondContact O-N 3.38Å; C241-N244 VanDerWaalsContact O-N 3.17Å; C241-I245 VanDerWaalsContact O-CG1 3.3Å; C241-I245 WeakPolarHBondContact O-CG1 3.45Å; C241-I245 PolarHBondContact O-N 3.05Å
242	S	67.3	Low	66	Low	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-57.9	-42.1	175.9	-59.6	0	0	0	0	111.8	L223 L238 L239 I245 F246	L223-S242 WeakPolarHBondContact CB-OG 3.35Å; L223-S242 WeakPolarHBondContact CD1-OG 3.3Å; L238-S242 WeakPolarHBondContact O-CB 3.47Å; L238-S242 PolarHBondContact O-N 2.85Å; L238-S242 PolarHBondContact O-OG 3.22Å; L239-S242 PolarHBondContact O-N 3.09Å; S242-I245 WeakPolarHBondContact O-CB 3.31Å; S242-I245 PolarHBondContact O-N 3.38Å; S242-F246 WeakPolarHBondContact O-CD2 3.31Å; S242-F246 PolarHBondContact O-N 3.41Å
243	L	69.6	Low	66.6	Low	1 Å²	1	43.6 Å²	43.6	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-62	-45.2	176.8	-174.7	169.6	0	0	0	111.5	L239 K240 C241 I245 F246 R247 A259 L262 L267 I271	L239-L243 VanDerWaalsContact O-CB 3.25Å; L239-L243 WeakPolarHBondContact O-CB 3.45Å; L239-L243 PolarHBondContact O-N 3.1Å; K240-L243 WeakPolarHBondContact O-CB 3.32Å; K240-L243 PolarHBondContact O-N 3.48Å; C241-L243 VanDerWaalsContact C-N 3.28Å; C241-L243 PolarHBondContact O-N 2.89Å; L243-I245 VanDerWaalsContact C-N 3.29Å; L243-I245 PolarHBondContact O-N 3.2Å; L243-F246 PolarHBondContact O-N 3.4Å; L243-R247 HydrophobicContact CD2-CG 3.99Å; L243-R247 WeakPolarHBondContact O-CG 3.33Å; L243-R247 PolarHBondContact O-N 3.25Å; L243-A259 HydrophobicContact CD1-CB 3.77Å; L243-L262 HydrophobicContact CD1-CD1 4.03Å; L243-L267 HydrophobicContact CD1-CD1 4.42Å; L243-I271 HydrophobicContact CD1-CD1 4.14Å; L243-I271 HydrophobicContact CD2-CD1 4.07Å; L243-I271 HydrophobicContact CG-CD1 4.14Å
244	N	69.5	Low	67	Low	55 Å²	55	40.8 Å²	40.8	29%	0.294	20%	0.199	S	C	.	.	H	α-helix	trans	-62.2	-38	176.1	-72.6	-12.2	0	0	0	112.3	E208 K240 C241 R247 K248	E208-N244 WeakPolarHBondContact OE1-CB 3.46Å; E208-N244 PolarHBondContact OE1-ND2 3.13Å; K240-N244 PolarHBondContact O-N 2.83Å; C241-N244 PolarHBondContact O-N 3.38Å; C241-N244 VanDerWaalsContact O-N 3.17Å; N244-R247 PolarHBondContact O-N 3.48Å; N244-K248 PolarHBondContact O-N 3.43Å; N244-K248 VanDerWaalsContact O-N 3.09Å
245	I	69.9	Low	67.2	Low	1 Å²	1	36.3 Å²	36.3	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-60.6	-49.8	173.7	-66.6	165.7	0	0	0	109.8	L207 I211 L223 C241 S242 L243 R247 K248 F249	L207-I245 HydrophobicContact CB-CD1 4.26Å; I211-I245 HydrophobicContact CD1-CB 4.26Å; I211-I245 HydrophobicContact CD1-CD1 3.48Å; I211-I245 VanDerWaalsContact CD1-CD1 3.48Å; I211-I245 HydrophobicContact CD1-CG1 3.54Å; I211-I245 HydrophobicContact CD1-CG2 3.69Å; L223-I245 HydrophobicContact CD1-CD1 4.16Å; C241-I245 VanDerWaalsContact O-CG1 3.3Å; C241-I245 WeakPolarHBondContact O-CG1 3.45Å; C241-I245 PolarHBondContact O-N 3.05Å; S242-I245 WeakPolarHBondContact O-CB 3.31Å; S242-I245 PolarHBondContact O-N 3.38Å; L243-I245 VanDerWaalsContact C-N 3.29Å; L243-I245 PolarHBondContact O-N 3.2Å; I245-R247 VanDerWaalsContact C-N 3.3Å; I245-R247 PolarHBondContact O-N 3.46Å; I245-K248 PolarHBondContact O-N 3.36Å; I245-K248 VanDerWaalsContact O-N 3.09Å; I245-F249 HydrophobicContact CG2-CD2 3.83Å; I245-F249 HydrophobicContact CG2-CE2 3.83Å; I245-F249 WeakPolarHBondContact O-CD2 3.42Å; I245-F249 PolarHBondContact O-N 3.22Å
246	F	68.8	Low	67.2	Low	13 Å²	13	35.2 Å²	35.2	6%	0.057	17%	0.172	C	C	.	.	H	α-helix	trans	-62.7	-33.8	177.9	-77.4	-65	0	0	0	113.6	C220 S242 L243 F249 N250 R251 E254 A255 L258	C220-F246 HydrophobicContact CB-CE1 3.94Å; C220-F246 HydrophobicContact CB-CE2 3.61Å; C220-F246 HydrophobicContact CB-CZ 3.24Å; C220-F246 VanDerWaalsContact SG-CZ 3.56Å; S242-F246 WeakPolarHBondContact O-CD2 3.31Å; S242-F246 PolarHBondContact O-N 3.41Å; L243-F246 PolarHBondContact O-N 3.4Å; F246-F249 PolarHBondContact O-N 2.99Å; F246-N250 PolarHBondContact O-N 3.1Å; F246-R251 HydrophobicContact CD1-CB 4.02Å; F246-R251 PolarHBondContact O-N 2.76Å; F246-R251 VanDerWaalsContact O-N 3.15Å; F246-E254 HydrophobicContact CD1-CB 3.9Å; F246-E254 HydrophobicContact CE1-CB 3.69Å; F246-E254 HydrophobicContact CE1-CG 4.22Å; F246-E254 HydrophobicContact CE2-CB 4.36Å; F246-E254 HydrophobicContact CG-CB 4.29Å; F246-E254 HydrophobicContact CZ-CB 3.9Å; F246-A255 HydrophobicContact CB-CB 3.77Å; F246-L258 HydrophobicContact CD2-CD1 3.38Å; F246-L258 HydrophobicContact CE2-CD1 3.38Å; F246-L258 HydrophobicContact CE2-CG 4.5Å
247	R	68.6	Low	67.2	Low	66 Å²	66	34.8 Å²	34.8	25%	0.249	16%	0.164	C	C	.	.	H	α-helix	trans	-62	-41.4	171.9	-76.7	179.4	175.4	-179.8	2.6	112	L243 N244 I245 N250 L267	L243-R247 HydrophobicContact CD2-CG 3.99Å; L243-R247 WeakPolarHBondContact O-CG 3.33Å; L243-R247 PolarHBondContact O-N 3.25Å; N244-R247 PolarHBondContact O-N 3.48Å; I245-R247 VanDerWaalsContact C-N 3.3Å; I245-R247 PolarHBondContact O-N 3.46Å; R247-N250 PolarHBondContact O-N 3.48Å; R247-L267 PolarHBondContact NH2-O 3.07Å
248	K	68	Low	67.1	Low	105 Å²	105	32.6 Å²	32.6	46%	0.457	15%	0.146	S	C	.	.	H	α-helix	trans	-66.9	-34.8	177.9	-72	-171.4	-173.1	-179.2	0	112.8	E208 N244 I245 N250	E208-K248 HydrophobicContact CB-CD 4.41Å; E208-K248 PolarHBondContact O-NZ 3.45Å; E208-K248 WeakPolarHBondContact OE2-CE 3.21Å; E208-K248 IonicContact OE2-NZ 3.44Å; E208-K248 PolarHBondContact OE2-NZ 3.41Å; N244-K248 PolarHBondContact O-N 3.43Å; N244-K248 VanDerWaalsContact O-N 3.09Å; I245-K248 PolarHBondContact O-N 3.36Å; I245-K248 VanDerWaalsContact O-N 3.09Å; K248-N250 VanDerWaalsContact C-N 3.29Å; K248-N250 PolarHBondContact O-N 3.42Å
249	F	63.3	Low	67	Low	39 Å²	39	32.4 Å²	32.4	17%	0.171	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	10.6	179.1	-69.2	-70.1	0	0	0	114.3	I211 D213 Y216 I245 F246 R251	I211-F249 HydrophobicContact CB-CE2 3.88Å; I211-F249 HydrophobicContact CB-CZ 3.83Å; I211-F249 HydrophobicContact CG2-CE2 3.42Å; I211-F249 VanDerWaalsContact CG2-CE2 3.42Å; I211-F249 HydrophobicContact CG2-CZ 3.42Å; I211-F249 VanDerWaalsContact CG2-CZ 3.42Å; I211-F249 WeakPolarHBondContact O-CZ 3.45Å; D213-F249 WeakPolarHBondContact OD1-CD1 3.28Å; D213-F249 VanDerWaalsContact OD1-CE1 3.28Å; D213-F249 WeakPolarHBondContact OD1-CE1 3.32Å; Y216-F249 AromaticContact CD1-CD1 3.73Å; Y216-F249 HydrophobicContact CD1-CD1 3.73Å; Y216-F249 HydrophobicContact CD1-CD2 4.27Å; Y216-F249 AromaticContact CD1-CE1 3.94Å; Y216-F249 HydrophobicContact CD1-CE1 3.94Å; Y216-F249 HydrophobicContact CD1-CE2 4.48Å; Y216-F249 AromaticContact CD1-CG 3.93Å; Y216-F249 HydrophobicContact CD1-CG 3.93Å; Y216-F249 HydrophobicContact CD1-CZ 4.34Å; Y216-F249 HydrophobicContact CE1-CD1 4.15Å; Y216-F249 HydrophobicContact CE1-CG 4.44Å; Y216-F249 HydrophobicContact CG-CD1 4.24Å; Y216-F249 AromaticContact CG-CD2 3.96Å; Y216-F249 HydrophobicContact CG-CD2 3.96Å; Y216-F249 HydrophobicContact CG-CE2 4.27Å; Y216-F249 AromaticContact CG-CG 3.98Å; Y216-F249 HydrophobicContact CG-CG 3.98Å; I245-F249 HydrophobicContact CG2-CD2 3.83Å; I245-F249 HydrophobicContact CG2-CE2 3.83Å; I245-F249 WeakPolarHBondContact O-CD2 3.42Å; I245-F249 PolarHBondContact O-N 3.22Å; F246-F249 PolarHBondContact O-N 2.99Å; F249-R251 PolarHBondContact O-N 3.42Å; F249-R251 VanDerWaalsContact O-N 3.12Å
250	N	63.9	Low	66.7	Low	106 Å²	106	32.4 Å²	32.4	57%	0.567	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.2	28.1	179.3	-58.5	-53.6	0	0	0	114.2	F246 R247 K248 Y252	F246-N250 PolarHBondContact O-N 3.1Å; R247-N250 PolarHBondContact O-N 3.48Å; K248-N250 VanDerWaalsContact C-N 3.29Å; K248-N250 PolarHBondContact O-N 3.42Å; N250-Y252 HydrophobicContact CB-CE2 4.02Å; N250-Y252 WeakPolarHBondContact O-CD2 3.33Å; N250-Y252 PolarHBondContact O-N 3.02Å; N250-Y252 PolarHBondContact OD1-OH 3.47Å
251	R	65.8	Low	66.1	Low	86 Å²	86	30.4 Å²	30.4	33%	0.325	14%	0.138	S	C	.	.			trans	-99.4	78	176.3	-79	-146.6	-172.5	-164.8	1.8	109.8	Y216 F246 F249 E254 A255	Y216-R251 PolarHBondContact OH-NE 2.88Å; Y216-R251 PolarHBondContact OH-NH2 2.85Å; F246-R251 HydrophobicContact CD1-CB 4.02Å; F246-R251 PolarHBondContact O-N 2.76Å; F246-R251 VanDerWaalsContact O-N 3.15Å; F249-R251 PolarHBondContact O-N 3.42Å; F249-R251 VanDerWaalsContact O-N 3.12Å; R251-E254 WeakPolarHBondContact CB-OE2 2.93Å; R251-E254 VanDerWaalsContact CD-OE1 3.29Å; R251-E254 WeakPolarHBondContact CD-OE1 3.16Å; R251-E254 WeakPolarHBondContact CD-OE2 3.33Å; R251-E254 IonicContact CZ-OE1 3.99Å; R251-E254 IonicContact NE-OE1 3.42Å; R251-E254 IonicContact NH1-OE1 2.79Å; R251-E254 PolarHBondContact NH1-OE1 2.98Å; R251-A255 WeakPolarHBondContact O-CB 3.19Å; R251-A255 PolarHBondContact O-N 2.96Å
252	Y	66.4	Low	66	Low	34 Å²	34	31.8 Å²	31.8	13%	0.133	15%	0.145	C	C	.	.	H	α-helix	trans	-70.8	-33.9	-174.3	-56.6	-80.8	0	0	0	115	N250 A255 L256 I271 S274 C275 I280	N250-Y252 HydrophobicContact CB-CE2 4.02Å; N250-Y252 WeakPolarHBondContact O-CD2 3.33Å; N250-Y252 PolarHBondContact O-N 3.02Å; N250-Y252 PolarHBondContact OD1-OH 3.47Å; Y252-A255 PolarHBondContact O-N 2.88Å; Y252-L256 WeakPolarHBondContact O-CB 3.48Å; Y252-L256 PolarHBondContact O-N 2.96Å; Y252-I271 HydrophobicContact CD1-CG2 4.22Å; Y252-S274 PolarHBondContact OH-O 3.27Å; Y252-C275 WeakPolarHBondContact CB-SG 3.28Å; Y252-C275 WeakPolarHBondContact CD1-SG 3.28Å; Y252-I280 HydrophobicContact CD2-CG2 4.42Å
253	P	62.7	Low	65.7	Low	8 Å²	8	32.5 Å²	32.5	5%	0.052	15%	0.149	C	C	.	.	H	α-helix	trans	-63.7	-42.5	177	-24.8	35.8	0	0	0	113.4	R257 I280 M287	P253-R257 PolarHBondContact O-N 3.06Å; P253-R257 VanDerWaalsContact O-N 3.13Å; P253-I280 HydrophobicContact CG-CG2 4.16Å; P253-M287 HydrophobicContact CB-CE 4.44Å
254	E	65.3	Low	65.5	Low	22 Å²	22	35 Å²	35	10%	0.103	16%	0.162	C	C	.	.	H	α-helix	trans	-70.9	-35.6	174.9	-62.1	104	139.1	0	0	112.3	F246 R251 R257 L258 P882	F246-E254 HydrophobicContact CD1-CB 3.9Å; F246-E254 HydrophobicContact CE1-CB 3.69Å; F246-E254 HydrophobicContact CE1-CG 4.22Å; F246-E254 HydrophobicContact CE2-CB 4.36Å; F246-E254 HydrophobicContact CG-CB 4.29Å; F246-E254 HydrophobicContact CZ-CB 3.9Å; R251-E254 WeakPolarHBondContact CB-OE2 2.93Å; R251-E254 VanDerWaalsContact CD-OE1 3.29Å; R251-E254 WeakPolarHBondContact CD-OE1 3.16Å; R251-E254 WeakPolarHBondContact CD-OE2 3.33Å; R251-E254 IonicContact CZ-OE1 3.99Å; R251-E254 IonicContact NE-OE1 3.42Å; R251-E254 IonicContact NH1-OE1 2.79Å; R251-E254 PolarHBondContact NH1-OE1 2.98Å; E254-R257 WeakPolarHBondContact O-CB 3.28Å; E254-R257 PolarHBondContact O-N 2.86Å; E254-L258 PolarHBondContact O-N 2.54Å; E254-L258 VanDerWaalsContact O-N 3.14Å; E254-P882 HydrophobicContact CG-CG 4Å
255	A	65.3	Low	65.2	Low	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.4	-43.3	174.1	0	0	0	0	0	111.9	F246 R251 Y252 R257 L258 A259 I271	F246-A255 HydrophobicContact CB-CB 3.77Å; R251-A255 WeakPolarHBondContact O-CB 3.19Å; R251-A255 PolarHBondContact O-N 2.96Å; Y252-A255 PolarHBondContact O-N 2.88Å; A255-R257 VanDerWaalsContact C-N 3.33Å; A255-R257 PolarHBondContact O-N 2.67Å; A255-L258 PolarHBondContact O-N 3.35Å; A255-A259 WeakPolarHBondContact O-CB 3.36Å; A255-A259 PolarHBondContact O-N 3.12Å; A255-I271 HydrophobicContact CB-CD1 4.26Å; A255-I271 HydrophobicContact CB-CG2 4.37Å
256	L	66.3	Low	65	Low	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61.6	-42.9	176.3	-176.5	67.2	0	0	0	111	Y252 L258 A259 L260 V268 M284 M287 L288	Y252-L256 WeakPolarHBondContact O-CB 3.48Å; Y252-L256 PolarHBondContact O-N 2.96Å; L256-L258 VanDerWaalsContact C-N 3.33Å; L256-L258 PolarHBondContact O-N 2.89Å; L256-A259 PolarHBondContact O-N 2.88Å; L256-L260 HydrophobicContact CG-CD1 4.15Å; L256-L260 HydrophobicContact CG-CG 4.44Å; L256-L260 WeakPolarHBondContact O-CB 3.4Å; L256-L260 VanDerWaalsContact O-CG 3.29Å; L256-L260 WeakPolarHBondContact O-CG 3.32Å; L256-L260 PolarHBondContact O-N 2.9Å; L256-V268 HydrophobicContact CD1-CG1 3.59Å; L256-M284 HydrophobicContact CB-CE 4.12Å; L256-M284 HydrophobicContact CD1-CE 4.04Å; L256-M284 HydrophobicContact CD2-CB 3.72Å; L256-M284 HydrophobicContact CD2-CE 3.89Å; L256-M284 HydrophobicContact CD2-CG 3.7Å; L256-M284 HydrophobicContact CG-CE 4.25Å; L256-M287 HydrophobicContact CD2-CB 4.31Å; L256-M287 HydrophobicContact CD2-SD 4.12Å; L256-M287 HydrophobicContact CG-SD 4.5Å; L256-L288 HydrophobicContact CD1-CD2 4.19Å; L256-L288 HydrophobicContact CD2-CD2 4.44Å; L256-L288 HydrophobicContact CD2-CG 4.13Å
257	R	65.2	Low	64.9	Low	32 Å²	32	43.2 Å²	43.2	12%	0.121	20%	0.204	C	C	.	.	H	α-helix	trans	-57.4	-45.9	176.2	-173.3	179	77	163.1	4.5	111.8	P253 E254 A255 L260 M261 L777 I883	P253-R257 PolarHBondContact O-N 3.06Å; P253-R257 VanDerWaalsContact O-N 3.13Å; E254-R257 WeakPolarHBondContact O-CB 3.28Å; E254-R257 PolarHBondContact O-N 2.86Å; A255-R257 VanDerWaalsContact C-N 3.33Å; A255-R257 PolarHBondContact O-N 2.67Å; R257-L260 PolarHBondContact O-N 3.49Å; R257-M261 PolarHBondContact O-N 3.23Å; R257-L777 HydrophobicContact CG-CD1 3.93Å; R257-L777 HydrophobicContact CG-CD2 3.84Å; R257-L777 HydrophobicContact CG-CG 3.85Å; R257-L777 WeakPolarHBondContact O-CD2 3.29Å; R257-I883 VanDerWaalsContact NH1-CD1 3.32Å
258	L	66.1	Low	64.8	Low	1 Å²	1	40.5 Å²	40.5	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-69.7	-34.6	177.7	-67.6	173.2	0	0	0	112.6	L239 F246 E254 A255 L256 L260 M261 L262	L239-L258 HydrophobicContact CD2-CD2 3.57Å; F246-L258 HydrophobicContact CD2-CD1 3.38Å; F246-L258 HydrophobicContact CE2-CD1 3.38Å; F246-L258 HydrophobicContact CE2-CG 4.5Å; E254-L258 PolarHBondContact O-N 2.54Å; E254-L258 VanDerWaalsContact O-N 3.14Å; A255-L258 PolarHBondContact O-N 3.35Å; L256-L258 VanDerWaalsContact C-N 3.33Å; L256-L258 PolarHBondContact O-N 2.89Å; L258-L260 VanDerWaalsContact C-N 3.31Å; L258-M261 HydrophobicContact CD2-SD 3.89Å; L258-M261 WeakPolarHBondContact O-CB 3.37Å; L258-M261 PolarHBondContact O-N 2.73Å; L258-L262 PolarHBondContact O-N 3.24Å
259	A	65.6	Low	64.6	Low	0 Å²	0	39 Å²	39	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.7	-37.9	173.5	0	0	0	0	0	111.9	L243 A255 L256 M261 L262 N263 V268 I271	L243-A259 HydrophobicContact CD1-CB 3.77Å; A255-A259 WeakPolarHBondContact O-CB 3.36Å; A255-A259 PolarHBondContact O-N 3.12Å; L256-A259 PolarHBondContact O-N 2.88Å; A259-M261 VanDerWaalsContact C-N 3.33Å; A259-L262 CarbonylContact O-C 3.52Å; A259-L262 PolarHBondContact O-N 3.26Å; A259-N263 PolarHBondContact O-N 2.71Å; A259-V268 HydrophobicContact CB-CG2 3.85Å; A259-I271 HydrophobicContact CB-CD1 3.47Å; A259-I271 VanDerWaalsContact CB-CD1 3.47Å
260	L	64.8	Low	64.8	Low	10 Å²	10	41.2 Å²	41.2	5%	0.052	20%	0.203	C	C	.	.	H	α-helix	trans	-67.4	-31.9	173.6	-71.1	171.6	0	0	0	112.4	L256 R257 L258 N263 V268 M287 L288 H291 L777	L256-L260 HydrophobicContact CG-CD1 4.15Å; L256-L260 HydrophobicContact CG-CG 4.44Å; L256-L260 WeakPolarHBondContact O-CB 3.4Å; L256-L260 VanDerWaalsContact O-CG 3.29Å; L256-L260 WeakPolarHBondContact O-CG 3.32Å; L256-L260 PolarHBondContact O-N 2.9Å; R257-L260 PolarHBondContact O-N 3.49Å; L258-L260 VanDerWaalsContact C-N 3.31Å; L260-N263 PolarHBondContact O-N 3.07Å; L260-V268 HydrophobicContact CD2-CG2 4.31Å; L260-M287 HydrophobicContact CD1-SD 4.43Å; L260-L288 HydrophobicContact CD1-CD2 4.32Å; L260-L288 HydrophobicContact CD2-CD2 3.88Å; L260-H291 HydrophobicContact CD1-CB 4.5Å; L260-L777 HydrophobicContact CB-CD2 3.93Å; L260-L777 HydrophobicContact CD1-CD1 4.36Å
261	M	59.3	Low	65	Low	55 Å²	55	36.2 Å²	36.2	27%	0.271	18%	0.176	S	C	.	.	H	α-helix	trans	-65.7	-39.3	170	-71.7	179.2	163.7	0	0	112.4	L239 R257 L258 A259 N263 Q776 L777	L239-M261 HydrophobicContact CD2-SD 4Å; R257-M261 PolarHBondContact O-N 3.23Å; L258-M261 HydrophobicContact CD2-SD 3.89Å; L258-M261 WeakPolarHBondContact O-CB 3.37Å; L258-M261 PolarHBondContact O-N 2.73Å; A259-M261 VanDerWaalsContact C-N 3.33Å; M261-N263 PolarHBondContact O-N 3.26Å; M261-Q776 HydrophobicContact CE-CB 3.42Å; M261-Q776 VanDerWaalsContact CE-CB 3.42Å; M261-Q776 HydrophobicContact CE-CG 4.04Å; M261-Q776 WeakPolarHBondContact CE-O 3.4Å; M261-L777 HydrophobicContact CG-CD2 3.9Å
262	L	63.7	Low	64.8	Low	33 Å²	33	32.2 Å²	32.2	17%	0.173	16%	0.161	C	C	.	.	H	α-helix	trans	-73.3	-15.1	177.1	-74.5	168.1	0	0	0	113.1	L239 K240 L243 L258 A259 D264	L239-L262 HydrophobicContact CB-CD1 3.85Å; L239-L262 HydrophobicContact CB-CD2 3.65Å; L239-L262 HydrophobicContact CB-CG 3.76Å; L239-L262 HydrophobicContact CD1-CD2 3.83Å; L239-L262 HydrophobicContact CD1-CG 4.15Å; L239-L262 HydrophobicContact CG-CD2 4.4Å; K240-L262 HydrophobicContact CG-CD1 3.76Å; K240-L262 HydrophobicContact CG-CD2 4.49Å; L243-L262 HydrophobicContact CD1-CD1 4.03Å; L258-L262 PolarHBondContact O-N 3.24Å; A259-L262 CarbonylContact O-C 3.52Å; A259-L262 PolarHBondContact O-N 3.26Å; L262-D264 PolarHBondContact O-N 2.83Å
263	N	62.3	Low	64.9	Low	16 Å²	16	35.3 Å²	35.3	9%	0.086	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	40.6	179.6	-166.1	25.1	0	0	0	113.5	A259 L260 M261 G518 Q780	A259-N263 PolarHBondContact O-N 2.71Å; L260-N263 PolarHBondContact O-N 3.07Å; M261-N263 PolarHBondContact O-N 3.26Å; N263-G518 PolarHBondContact ND2-O 2.92Å; N263-G518 VanDerWaalsContact ND2-O 3.16Å; N263-Q780 PolarHBondContact ND2-NE2 2.83Å
264	D	64.2	Low	65	Low	54 Å²	54	37.9 Å²	37.9	29%	0.289	20%	0.202	S	C	.	.			trans	-110.1	103.6	-179.9	-169.7	-11	0	0	0	110.2	L262 E266 L267 V268	L262-D264 PolarHBondContact O-N 2.83Å; D264-E266 VanDerWaalsContact C-N 3.26Å; D264-E266 PolarHBondContact O-N 2.87Å; D264-E266 PolarHBondContact OD1-N 3.44Å; D264-L267 HydrophobicContact CB-CB 4.12Å; D264-L267 HydrophobicContact CB-CD1 3.88Å; D264-L267 HydrophobicContact CB-CG 4.17Å; D264-L267 PolarHBondContact O-N 2.91Å; D264-L267 VanDerWaalsContact O-N 3.14Å; D264-L267 VanDerWaalsContact OD2-CD1 3.3Å; D264-L267 WeakPolarHBondContact OD2-CD1 3.46Å; D264-V268 WeakPolarHBondContact O-CG2 3.26Å; D264-V268 PolarHBondContact O-N 3.27Å; D264-V268 VanDerWaalsContact O-N 3.13Å
265	V	64	Low	64.7	Low	69 Å²	69	37 Å²	37	42%	0.418	20%	0.198	S	C	.	.	H	α-helix	trans	-59.9	-37.3	-173.5	-177.8	0	0	0	0	111.3	L267 V268 E269 M293 L295	V265-L267 PolarHBondContact O-N 3.38Å; V265-V268 PolarHBondContact O-N 3.5Å; V265-E269 PolarHBondContact O-N 2.97Å; V265-M293 HydrophobicContact CG2-CE 4Å; V265-L295 HydrophobicContact CG1-CD2 3.69Å
266	E	65.9	Low	64.4	Low	140 Å²	140	46.5 Å²	46.5	65%	0.654	24%	0.24	S	C	*	.	H	α-helix	trans	-67.6	-38.3	179.3	-62.7	-177	-176.3	0	0	111.3	D264 V268 N270	D264-E266 VanDerWaalsContact C-N 3.26Å; D264-E266 PolarHBondContact O-N 2.87Å; D264-E266 PolarHBondContact OD1-N 3.44Å; E266-V268 VanDerWaalsContact C-N 3.35Å; E266-N270 WeakPolarHBondContact O-CB 3.26Å; E266-N270 VanDerWaalsContact O-CG 3.24Å; E266-N270 PolarHBondContact O-N 3.12Å; E266-N270 PolarHBondContact O-ND2 2.94Å
267	L	66.4	Low	64.4	Low	31 Å²	31	49.2 Å²	49.2	16%	0.162	25%	0.254	C	S	.	.	H	α-helix	trans	-68.8	-35.5	176.8	-74.8	174.6	0	0	0	111.9	L243 R247 D264 V265 I271	L243-L267 HydrophobicContact CD1-CD1 4.42Å; R247-L267 PolarHBondContact NH2-O 3.07Å; D264-L267 HydrophobicContact CB-CB 4.12Å; D264-L267 HydrophobicContact CB-CD1 3.88Å; D264-L267 HydrophobicContact CB-CG 4.17Å; D264-L267 PolarHBondContact O-N 2.91Å; D264-L267 VanDerWaalsContact O-N 3.14Å; D264-L267 VanDerWaalsContact OD2-CD1 3.3Å; D264-L267 WeakPolarHBondContact OD2-CD1 3.46Å; V265-L267 PolarHBondContact O-N 3.38Å; L267-I271 WeakPolarHBondContact O-CD1 3.24Å; L267-I271 WeakPolarHBondContact O-CG1 3.47Å; L267-I271 PolarHBondContact O-N 3.2Å; L267-I271 VanDerWaalsContact O-N 3.09Å
268	V	65.4	Low	64.4	Low	9 Å²	9	51 Å²	51	6%	0.055	27%	0.266	C	S	.	.	H	α-helix	trans	-66.6	-47.5	176	179.9	0	0	0	0	110.1	L256 A259 L260 D264 V265 E266 N270 I271 F272 L288 L295	L256-V268 HydrophobicContact CD1-CG1 3.59Å; A259-V268 HydrophobicContact CB-CG2 3.85Å; L260-V268 HydrophobicContact CD2-CG2 4.31Å; D264-V268 WeakPolarHBondContact O-CG2 3.26Å; D264-V268 PolarHBondContact O-N 3.27Å; D264-V268 VanDerWaalsContact O-N 3.13Å; V265-V268 PolarHBondContact O-N 3.5Å; E266-V268 VanDerWaalsContact C-N 3.35Å; V268-N270 VanDerWaalsContact C-N 3.35Å; V268-N270 PolarHBondContact O-N 3.43Å; V268-I271 PolarHBondContact O-N 3.09Å; V268-F272 PolarHBondContact O-N 2.83Å; V268-L288 HydrophobicContact CG1-CD1 4.5Å; V268-L288 HydrophobicContact CG1-CD2 3.87Å; V268-L295 HydrophobicContact CB-CD1 4.28Å; V268-L295 HydrophobicContact CG1-CD1 3.51Å; V268-L295 HydrophobicContact CG1-CG 4.24Å
269	E	65.5	Low	64.4	Low	75 Å²	75	51.9 Å²	51.9	35%	0.35	27%	0.271	S	S	.	.	H	α-helix	trans	-60.5	-43.1	177.2	-170.9	-175.4	172.7	0	0	112	V265 I271 F272 T273 L295	V265-E269 PolarHBondContact O-N 2.97Å; E269-I271 PolarHBondContact O-N 3.01Å; E269-F272 PolarHBondContact O-N 3.34Å; E269-T273 WeakPolarHBondContact O-CB 3.46Å; E269-T273 PolarHBondContact O-N 3.17Å; E269-T273 PolarHBondContact O-OG1 3.09Å; E269-L295 HydrophobicContact CB-CD1 4.4Å
270	N	67.6	Low	64.5	Low	85 Å²	85	53 Å²	53	46%	0.455	28%	0.277	S	S	.	.	H	α-helix	trans	-62.8	-38.4	176.2	-78.7	-51.1	0	0	0	112.9	E266 V268 S274	E266-N270 WeakPolarHBondContact O-CB 3.26Å; E266-N270 VanDerWaalsContact O-CG 3.24Å; E266-N270 PolarHBondContact O-N 3.12Å; E266-N270 PolarHBondContact O-ND2 2.94Å; V268-N270 VanDerWaalsContact C-N 3.35Å; V268-N270 PolarHBondContact O-N 3.43Å; N270-S274 VanDerWaalsContact O-CB 3.28Å; N270-S274 WeakPolarHBondContact O-CB 3.31Å; N270-S274 PolarHBondContact O-N 3.27Å; N270-S274 PolarHBondContact O-OG 3.35Å
271	I	67	Low	64.5	Low	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-67.8	-43	176.4	-68	161.9	0	0	0	109.7	L243 Y252 A255 A259 L267 V268 E269 S274 C275 M284	L243-I271 HydrophobicContact CD1-CD1 4.14Å; L243-I271 HydrophobicContact CD2-CD1 4.07Å; L243-I271 HydrophobicContact CG-CD1 4.14Å; Y252-I271 HydrophobicContact CD1-CG2 4.22Å; A255-I271 HydrophobicContact CB-CD1 4.26Å; A255-I271 HydrophobicContact CB-CG2 4.37Å; A259-I271 HydrophobicContact CB-CD1 3.47Å; A259-I271 VanDerWaalsContact CB-CD1 3.47Å; L267-I271 WeakPolarHBondContact O-CD1 3.24Å; L267-I271 WeakPolarHBondContact O-CG1 3.47Å; L267-I271 PolarHBondContact O-N 3.2Å; L267-I271 VanDerWaalsContact O-N 3.09Å; V268-I271 PolarHBondContact O-N 3.09Å; E269-I271 PolarHBondContact O-N 3.01Å; I271-S274 PolarHBondContact O-N 3.46Å; I271-C275 PolarHBondContact O-N 3.18Å; I271-C275 PolarHBondContact O-SG 3.31Å; I271-M284 HydrophobicContact CG2-CE 3.71Å
272	F	61.3	Low	65	Low	2 Å²	2	51.6 Å²	51.6	1%	0.009	27%	0.269	C	S	.	.	H	α-helix	trans	-62.2	-45	179.5	-157.7	-78.2	0	0	0	111.7	V268 E269 S274 C275 Q281 M284 L288 L295 L297 L307	V268-F272 PolarHBondContact O-N 2.83Å; E269-F272 PolarHBondContact O-N 3.34Å; F272-S274 VanDerWaalsContact C-N 3.32Å; F272-S274 PolarHBondContact O-N 2.8Å; F272-C275 WeakPolarHBondContact O-CB 3.44Å; F272-C275 PolarHBondContact O-N 2.97Å; F272-Q281 HydrophobicContact CZ-CB 4.39Å; F272-M284 HydrophobicContact CB-CE 4.44Å; F272-M284 HydrophobicContact CD2-CB 4.42Å; F272-M284 HydrophobicContact CD2-CE 4.01Å; F272-M284 HydrophobicContact CE2-CB 4.2Å; F272-L288 HydrophobicContact CD2-CD1 3.88Å; F272-L288 HydrophobicContact CE2-CD1 4.04Å; F272-L295 HydrophobicContact CB-CD1 4.49Å; F272-L297 HydrophobicContact CD1-CD1 4.3Å; F272-L297 HydrophobicContact CD1-CD2 3.39Å; F272-L297 HydrophobicContact CD1-CG 4.27Å; F272-L297 HydrophobicContact CE1-CD1 3.77Å; F272-L297 HydrophobicContact CE1-CD2 3.26Å; F272-L297 HydrophobicContact CE1-CG 4.08Å; F272-L297 HydrophobicContact CG-CD2 4.43Å; F272-L297 HydrophobicContact CZ-CD1 3.92Å; F272-L297 HydrophobicContact CZ-CD2 4.25Å; F272-L307 HydrophobicContact CE1-CD2 3.84Å; F272-L307 HydrophobicContact CZ-CD2 3.77Å
273	T	68.1	Low	65	Low	99 Å²	99	50.3 Å²	50.3	61%	0.607	26%	0.262	S	S	*	.	H	α-helix	trans	-68.8	-29.7	178.8	-50.9	0	0	0	0	112.6	E269 C275	E269-T273 WeakPolarHBondContact O-CB 3.46Å; E269-T273 PolarHBondContact O-N 3.17Å; E269-T273 PolarHBondContact O-OG1 3.09Å; T273-C275 VanDerWaalsContact C-N 3.28Å; T273-C275 PolarHBondContact O-N 3.07Å
274	S	65.4	Low	65	Low	62 Å²	62	49.5 Å²	49.5	43%	0.434	26%	0.258	S	S	.	.	H	α-helix	trans	-75.4	-14.7	178.4	-62.5	0	0	0	0	113.6	Y252 N270 I271 F272	Y252-S274 PolarHBondContact OH-O 3.27Å; N270-S274 VanDerWaalsContact O-CB 3.28Å; N270-S274 WeakPolarHBondContact O-CB 3.31Å; N270-S274 PolarHBondContact O-N 3.27Å; N270-S274 PolarHBondContact O-OG 3.35Å; I271-S274 PolarHBondContact O-N 3.46Å; F272-S274 VanDerWaalsContact C-N 3.32Å; F272-S274 PolarHBondContact O-N 2.8Å
275	C	59.3	Low	65	Low	4 Å²	4	47 Å²	47	3%	0.027	24%	0.244	C	C	.	.			trans	-77.8	125.4	176.9	-64	0	0	0	0	110.2	Y252 I271 F272 T273 Q281 M284	Y252-C275 WeakPolarHBondContact CB-SG 3.28Å; Y252-C275 WeakPolarHBondContact CD1-SG 3.28Å; I271-C275 PolarHBondContact O-N 3.18Å; I271-C275 PolarHBondContact O-SG 3.31Å; F272-C275 WeakPolarHBondContact O-CB 3.44Å; F272-C275 PolarHBondContact O-N 2.97Å; T273-C275 VanDerWaalsContact C-N 3.28Å; T273-C275 PolarHBondContact O-N 3.07Å; C275-Q281 HydrophobicContact CB-CG 3.73Å; C275-Q281 PolarHBondContact O-NE2 3.33Å; C275-M284 PolarHBondContact SG-SD 3.45Å
276	K	59.3	Low	65	Low	199 Å²	199	44.1 Å²	44.1	87%	0.865	23%	0.226	S	C	*	.			trans	-100.5	-10.5	175.4	-66.2	-176.9	179.1	179	0	114.2
277	D	65.5	Low	64.8	Low	58 Å²	58	38.7 Å²	38.7	31%	0.31	20%	0.201	S	C	.	.			trans	-99.7	115.9	-174.8	-167.8	-28.8	0	0	0	110.4	V279 I280 Q281 R891	D277-V279 PolarHBondContact O-N 2.89Å; D277-V279 PolarHBondContact OD1-N 3.13Å; D277-I280 HydrophobicContact CB-CB 4.35Å; D277-I280 HydrophobicContact CB-CD1 4.03Å; D277-I280 HydrophobicContact CB-CG1 4.22Å; D277-I280 PolarHBondContact O-N 3.5Å; D277-I280 VanDerWaalsContact O-N 3.14Å; D277-Q281 WeakPolarHBondContact O-CG 3.36Å; D277-Q281 PolarHBondContact O-N 3.31Å; D277-R891 IonicContact OD1-CZ 2.61Å; D277-R891 IonicContact OD1-NH2 3.87Å; D277-R891 PolarHBondContact OD1-NH2 3.28Å; D277-R891 IonicContact OD2-CZ 3.24Å; D277-R891 IonicContact OD2-NH1 2.91Å; D277-R891 PolarHBondContact OD2-NH1 3.36Å; D277-R891 IonicContact OD2-NH2 2.67Å; D277-R891 PolarHBondContact OD2-NH2 3.37Å
278	I	65.6	Low	64.6	Low	69 Å²	69	37.2 Å²	37.2	35%	0.354	19%	0.193	S	C	.	.	H	α-helix	trans	-58.1	-36.4	-174.2	-60.1	166.8	0	0	0	111.3	Q281 K282	I278-Q281 PolarHBondContact O-N 2.9Å; I278-K282 HydrophobicContact CG2-CD 4.23Å; I278-K282 HydrophobicContact CG2-CG 4.5Å; I278-K282 VanDerWaalsContact O-CG 3.32Å; I278-K282 WeakPolarHBondContact O-CG 3.12Å; I278-K282 PolarHBondContact O-N 3.36Å
279	V	66.9	Low	64.4	Low	20 Å²	20	37 Å²	37	12%	0.121	19%	0.193	C	C	.	.	H	α-helix	trans	-72	-35.9	-178	176.8	0	0	0	0	111.3	D277 K282 E283 V880 I889	D277-V279 PolarHBondContact O-N 2.89Å; D277-V279 PolarHBondContact OD1-N 3.13Å; V279-K282 PolarHBondContact O-N 2.87Å; V279-E283 PolarHBondContact O-N 2.91Å; V279-E283 VanDerWaalsContact O-N 3.13Å; V279-V880 HydrophobicContact CG1-CG2 4.09Å; V279-I889 HydrophobicContact CG1-CB 4.22Å; V279-I889 HydrophobicContact CG1-CD1 4.31Å; V279-I889 HydrophobicContact CG1-CG2 3.59Å
280	I	67.1	Low	64.1	Low	24 Å²	24	36.2 Å²	36.2	12%	0.123	19%	0.187	C	C	.	.	H	α-helix	trans	-70.2	-39.8	174.9	-64.2	174.9	0	0	0	109.9	Y252 P253 D277 K282 E283 M284 V880	Y252-I280 HydrophobicContact CD2-CG2 4.42Å; P253-I280 HydrophobicContact CG-CG2 4.16Å; D277-I280 HydrophobicContact CB-CB 4.35Å; D277-I280 HydrophobicContact CB-CD1 4.03Å; D277-I280 HydrophobicContact CB-CG1 4.22Å; D277-I280 PolarHBondContact O-N 3.5Å; D277-I280 VanDerWaalsContact O-N 3.14Å; I280-K282 PolarHBondContact O-N 3.17Å; I280-E283 PolarHBondContact O-N 3.47Å; I280-M284 HydrophobicContact CG2-CG 4.37Å; I280-M284 HydrophobicContact CG2-SD 3.91Å; I280-M284 WeakPolarHBondContact O-CB 3.38Å; I280-M284 VanDerWaalsContact O-CG 3.28Å; I280-M284 WeakPolarHBondContact O-CG 3.16Å; I280-M284 PolarHBondContact O-N 3.33Å; I280-V880 HydrophobicContact CB-CG1 4.47Å; I280-V880 HydrophobicContact CG1-CG1 3.63Å
281	Q	65.5	Low	63.6	Low	15 Å²	15	33 Å²	33	7%	0.07	17%	0.169	C	C	.	.	H	α-helix	trans	-61.7	-41.7	174.7	-70.5	176.2	-18.4	0	0	112.1	F272 C275 D277 I278 M284 A285 L307	F272-Q281 HydrophobicContact CZ-CB 4.39Å; C275-Q281 HydrophobicContact CB-CG 3.73Å; C275-Q281 PolarHBondContact O-NE2 3.33Å; D277-Q281 WeakPolarHBondContact O-CG 3.36Å; D277-Q281 PolarHBondContact O-N 3.31Å; I278-Q281 PolarHBondContact O-N 2.9Å; Q281-M284 PolarHBondContact O-N 3.31Å; Q281-A285 WeakPolarHBondContact O-CB 3.37Å; Q281-A285 PolarHBondContact O-N 2.96Å; Q281-L307 HydrophobicContact CB-CD2 4.11Å
282	K	67.9	Low	62.9	Low	20 Å²	20	33.7 Å²	33.7	9%	0.087	18%	0.176	C	C	.	.	H	α-helix	trans	-62.3	-42.7	175.3	-73.5	-179.7	177.5	-169.5	0	111.8	I278 V279 I280 A285 F286 D306 L307 I310 L827 I889	I278-K282 HydrophobicContact CG2-CD 4.23Å; I278-K282 HydrophobicContact CG2-CG 4.5Å; I278-K282 VanDerWaalsContact O-CG 3.32Å; I278-K282 WeakPolarHBondContact O-CG 3.12Å; I278-K282 PolarHBondContact O-N 3.36Å; V279-K282 PolarHBondContact O-N 2.87Å; I280-K282 PolarHBondContact O-N 3.17Å; K282-A285 PolarHBondContact O-N 3Å; K282-F286 WeakPolarHBondContact O-CD2 3.34Å; K282-F286 PolarHBondContact O-N 3.38Å; K282-D306 IonicContact NZ-OD2 3.83Å; K282-L307 HydrophobicContact CG-CD1 4.12Å; K282-I310 HydrophobicContact CB-CD1 4.3Å; K282-I310 HydrophobicContact CD-CD1 4.13Å; K282-I310 HydrophobicContact CG-CD1 3.88Å; K282-L827 HydrophobicContact CD-CD1 4.2Å; K282-L827 HydrophobicContact CD-CD2 4.48Å; K282-L827 HydrophobicContact CD-CG 4.47Å; K282-I889 HydrophobicContact CB-CD1 3.75Å
283	E	65.1	Low	62.6	Low	5 Å²	5	35.5 Å²	35.5	2%	0.023	19%	0.185	C	C	.	.	H	α-helix	trans	-67.3	-38.9	176.2	-165.4	176.1	-134.1	0	0	112.6	V279 I280 A285 F286 M287 V880 T881 I889	V279-E283 PolarHBondContact O-N 2.91Å; V279-E283 VanDerWaalsContact O-N 3.13Å; I280-E283 PolarHBondContact O-N 3.47Å; E283-A285 VanDerWaalsContact C-N 3.34Å; E283-F286 PolarHBondContact O-N 3.15Å; E283-M287 PolarHBondContact O-N 2.96Å; E283-V880 WeakPolarHBondContact OE2-CB 3.29Å; E283-V880 WeakPolarHBondContact OE2-CG1 3.33Å; E283-T881 VanDerWaalsContact OE1-CB 3.29Å; E283-T881 WeakPolarHBondContact OE1-CB 3.4Å; E283-T881 WeakPolarHBondContact OE1-CG2 3.4Å; E283-T881 PolarHBondContact OE1-N 3.49Å; E283-T881 VanDerWaalsContact OE1-N 3.1Å; E283-T881 PolarHBondContact OE2-N 2.91Å; E283-T881 VanDerWaalsContact OE2-N 3.07Å; E283-I889 HydrophobicContact CB-CD1 4.19Å
284	M	62.8	Low	61.7	Low	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-63.1	-39.3	172.2	-75.5	175.7	60.8	0	0	112	L256 I271 F272 C275 I280 Q281 M287 L288	L256-M284 HydrophobicContact CB-CE 4.12Å; L256-M284 HydrophobicContact CD1-CE 4.04Å; L256-M284 HydrophobicContact CD2-CB 3.72Å; L256-M284 HydrophobicContact CD2-CE 3.89Å; L256-M284 HydrophobicContact CD2-CG 3.7Å; L256-M284 HydrophobicContact CG-CE 4.25Å; I271-M284 HydrophobicContact CG2-CE 3.71Å; F272-M284 HydrophobicContact CB-CE 4.44Å; F272-M284 HydrophobicContact CD2-CB 4.42Å; F272-M284 HydrophobicContact CD2-CE 4.01Å; F272-M284 HydrophobicContact CE2-CB 4.2Å; C275-M284 PolarHBondContact SG-SD 3.45Å; I280-M284 HydrophobicContact CG2-CG 4.37Å; I280-M284 HydrophobicContact CG2-SD 3.91Å; I280-M284 WeakPolarHBondContact O-CB 3.38Å; I280-M284 VanDerWaalsContact O-CG 3.28Å; I280-M284 WeakPolarHBondContact O-CG 3.16Å; I280-M284 PolarHBondContact O-N 3.33Å; Q281-M284 PolarHBondContact O-N 3.31Å; M284-M287 WeakPolarHBondContact O-CB 3.43Å; M284-M287 PolarHBondContact O-N 3.34Å; M284-L288 WeakPolarHBondContact O-CB 3.5Å; M284-L288 WeakPolarHBondContact O-CG 3.43Å; M284-L288 PolarHBondContact O-N 3.22Å
285	A	62.8	Low	61.2	Low	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.9	-40.6	174.7	0	0	0	0	0	111.7	Q281 K282 E283 M287 L288 G289 I310	Q281-A285 WeakPolarHBondContact O-CB 3.37Å; Q281-A285 PolarHBondContact O-N 2.96Å; K282-A285 PolarHBondContact O-N 3Å; E283-A285 VanDerWaalsContact C-N 3.34Å; A285-M287 VanDerWaalsContact C-N 3.34Å; A285-M287 PolarHBondContact O-N 3.43Å; A285-L288 PolarHBondContact O-N 3.12Å; A285-G289 PolarHBondContact O-N 3.19Å; A285-I310 HydrophobicContact CB-CG2 3.87Å
286	F	64.8	Low	60.6	Low	9 Å²	9	37.9 Å²	37.9	4%	0.039	18%	0.183	C	C	.	.	H	α-helix	trans	-63.4	-37.2	171.1	-77.3	-65	0	0	0	112.5	K282 E283 R290 I310 F823 L827 F887 I889	K282-F286 WeakPolarHBondContact O-CD2 3.34Å; K282-F286 PolarHBondContact O-N 3.38Å; E283-F286 PolarHBondContact O-N 3.15Å; F286-R290 WeakPolarHBondContact O-CB 3.36Å; F286-R290 VanDerWaalsContact O-CG 3.23Å; F286-R290 WeakPolarHBondContact O-CG 3.2Å; F286-R290 PolarHBondContact O-N 3.23Å; F286-I310 HydrophobicContact CD1-CG2 3.68Å; F286-I310 HydrophobicContact CD2-CG2 3.82Å; F286-I310 HydrophobicContact CE1-CG2 3.61Å; F286-I310 HydrophobicContact CE2-CD1 4.39Å; F286-I310 HydrophobicContact CE2-CG2 3.74Å; F286-I310 HydrophobicContact CG-CG2 3.78Å; F286-I310 HydrophobicContact CZ-CB 4.48Å; F286-I310 HydrophobicContact CZ-CD1 4.44Å; F286-I310 HydrophobicContact CZ-CG1 4.12Å; F286-I310 HydrophobicContact CZ-CG2 3.64Å; F286-F823 HydrophobicContact CZ-CE2 4.13Å; F286-L827 HydrophobicContact CE2-CD2 3.75Å; F286-L827 HydrophobicContact CZ-CD2 3.98Å; F286-F887 HydrophobicContact CB-CB 4.33Å; F286-F887 HydrophobicContact CD1-CB 4.09Å; F286-F887 AromaticContact CD1-CD2 3.69Å; F286-F887 HydrophobicContact CD1-CD2 3.69Å; F286-F887 HydrophobicContact CD1-CE2 4.31Å; F286-F887 HydrophobicContact CD1-CG 4.05Å; F286-F887 HydrophobicContact CD2-CB 4.45Å; F286-F887 HydrophobicContact CE1-CD2 4.12Å; F286-F887 HydrophobicContact CE1-CE2 4.47Å; F286-F887 HydrophobicContact CE1-CG 4.28Å; F286-F887 HydrophobicContact CG-CB 4.06Å; F286-F887 HydrophobicContact CG-CD2 4.4Å; F286-I889 HydrophobicContact CE2-CD1 4.43Å
287	M	61.4	Low	60.2	Low	27 Å²	27	29.3 Å²	29.3	13%	0.133	15%	0.146	C	C	.	.	H	α-helix	trans	-67	-43.3	176.6	-167.8	-178.3	-58.4	0	0	111.7	P253 L256 L260 E283 M284 A285 R290 H291	P253-M287 HydrophobicContact CB-CE 4.44Å; L256-M287 HydrophobicContact CD2-CB 4.31Å; L256-M287 HydrophobicContact CD2-SD 4.12Å; L256-M287 HydrophobicContact CG-SD 4.5Å; L260-M287 HydrophobicContact CD1-SD 4.43Å; E283-M287 PolarHBondContact O-N 2.96Å; M284-M287 WeakPolarHBondContact O-CB 3.43Å; M284-M287 PolarHBondContact O-N 3.34Å; A285-M287 VanDerWaalsContact C-N 3.34Å; A285-M287 PolarHBondContact O-N 3.43Å; M287-R290 PolarHBondContact O-N 2.86Å; M287-H291 PolarHBondContact O-N 3.29Å
288	L	62.7	Low	59.2	Low	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65.2	-47.1	176.1	-73.5	173.2	0	0	0	111.9	L256 L260 V268 F272 M284 A285 R290 H291 G292 M293 L295 M311	L256-L288 HydrophobicContact CD1-CD2 4.19Å; L256-L288 HydrophobicContact CD2-CD2 4.44Å; L256-L288 HydrophobicContact CD2-CG 4.13Å; L260-L288 HydrophobicContact CD1-CD2 4.32Å; L260-L288 HydrophobicContact CD2-CD2 3.88Å; V268-L288 HydrophobicContact CG1-CD1 4.5Å; V268-L288 HydrophobicContact CG1-CD2 3.87Å; F272-L288 HydrophobicContact CD2-CD1 3.88Å; F272-L288 HydrophobicContact CE2-CD1 4.04Å; M284-L288 WeakPolarHBondContact O-CB 3.5Å; M284-L288 WeakPolarHBondContact O-CG 3.43Å; M284-L288 PolarHBondContact O-N 3.22Å; A285-L288 PolarHBondContact O-N 3.12Å; L288-R290 PolarHBondContact O-N 2.94Å; L288-H291 PolarHBondContact O-N 2.83Å; L288-H291 VanDerWaalsContact O-N 3.08Å; L288-G292 PolarHBondContact O-N 3.12Å; L288-M293 PolarHBondContact O-N 3.3Å; L288-L295 HydrophobicContact CD1-CD1 4.19Å; L288-M311 HydrophobicContact CD1-CE 4.21Å
289	G	59.8	Low	58.2	Low	5 Å²	5	36.6 Å²	36.6	5%	0.052	18%	0.18	C	C	.	.	H	α-helix	trans	-60.6	-31.1	175.6	0	0	0	0	0	113.1	A285 N313	A285-G289 PolarHBondContact O-N 3.19Å; G289-N313 PolarHBondContact O-ND2 3.18Å
290	R	59.3	Low	57.1	Low	58 Å²	58	43.2 Å²	43.2	22%	0.219	22%	0.215	C	C	.	.	H	α-helix	trans	-76.9	-33.8	172.6	-76.1	-179.6	71.8	-164	4.2	113.8	F286 M287 L288 G292 Q816 E885 G886	F286-R290 WeakPolarHBondContact O-CB 3.36Å; F286-R290 VanDerWaalsContact O-CG 3.23Å; F286-R290 WeakPolarHBondContact O-CG 3.2Å; F286-R290 PolarHBondContact O-N 3.23Å; M287-R290 PolarHBondContact O-N 2.86Å; L288-R290 PolarHBondContact O-N 2.94Å; R290-G292 VanDerWaalsContact C-N 3.28Å; R290-Q816 PolarHBondContact O-NE2 3.42Å; R290-E885 VanDerWaalsContact NH1-C 3.26Å; R290-E885 PolarHBondContact NH1-O 3.24Å; R290-G886 VanDerWaalsContact NH1-CA 3.32Å
291	H	57.3	Low	56.3	Low	16 Å²	16	44 Å²	44	7%	0.074	22%	0.221	C	C	.	.	H	α-helix	trans	-74.1	-25	177.1	-169.2	-94.3	0	0	0	111.6	L260 M287 L288 M293 M778 S779	L260-H291 HydrophobicContact CD1-CB 4.5Å; M287-H291 PolarHBondContact O-N 3.29Å; L288-H291 PolarHBondContact O-N 2.83Å; L288-H291 VanDerWaalsContact O-N 3.08Å; H291-M293 WeakPolarHBondContact ND1-CG 3.49Å; H291-M778 PolarHBondContact NE2-O 3.45Å; H291-S779 PolarHBondContact O-OG 2.78Å
292	G	53.7	Low	55.2	Low	15 Å²	15	51.1 Å²	51.1	16%	0.155	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.7	10.6	-179.6	0	0	0	0	0	113.2	L288 R290 F294	L288-G292 PolarHBondContact O-N 3.12Å; R290-G292 VanDerWaalsContact C-N 3.28Å; G292-F294 WeakPolarHBondContact O-CD2 3.25Å
293	M	53.7	Low	54.5	Low	41 Å²	41	54 Å²	54	20%	0.202	27%	0.27	C	S	.	.			trans	-94.2	105.5	174.6	-71.6	-65.2	-73.7	0	0	108.7	V265 L288 H291	V265-M293 HydrophobicContact CG2-CE 4Å; L288-M293 PolarHBondContact O-N 3.3Å; H291-M293 WeakPolarHBondContact ND1-CG 3.49Å
294	F	49.1	Very low	54	Low	40 Å²	40	56.7 Å²	56.7	18%	0.175	28%	0.281	C	S	.	.			trans	-90	121	176.4	-63.3	-87.8	0	0	0	108.8	G292 M311	G292-F294 WeakPolarHBondContact O-CD2 3.25Å; F294-M311 HydrophobicContact CB-SD 4.31Å; F294-M311 HydrophobicContact CD1-CG 3.79Å; F294-M311 HydrophobicContact CD1-SD 4.12Å; F294-M311 HydrophobicContact CE1-CG 4.29Å; F294-M311 WeakPolarHBondContact CE1-O 3.38Å
295	L	54.8	Low	53.7	Low	23 Å²	23	63.8 Å²	63.8	12%	0.12	31%	0.314	C	S	.	.			trans	-91.5	125.6	166	-72.4	178.1	0	0	0	108	V265 V268 E269 F272 L288 L297 M311	V265-L295 HydrophobicContact CG1-CD2 3.69Å; V268-L295 HydrophobicContact CB-CD1 4.28Å; V268-L295 HydrophobicContact CG1-CD1 3.51Å; V268-L295 HydrophobicContact CG1-CG 4.24Å; E269-L295 HydrophobicContact CB-CD1 4.4Å; F272-L295 HydrophobicContact CB-CD1 4.49Å; L288-L295 HydrophobicContact CD1-CD1 4.19Å; L295-L297 VanDerWaalsContact C-N 3.33Å; L295-L297 PolarHBondContact O-N 2.81Å; L295-M311 HydrophobicContact CB-CE 4.41Å; L295-M311 PolarHBondContact N-SD 3.14Å
296	E	48.1	Very low	53.5	Low	152 Å²	152	67 Å²	67	71%	0.71	33%	0.331	S	S	*	.			trans	-74.5	95.5	166.2	-158	156.2	-135.2	0	0	106.4
297	L	51.4	Low	53.3	Low	18 Å²	18	66.6 Å²	66.6	9%	0.094	33%	0.329	C	S	.	.			trans	-67	150.2	179.1	-91.4	126	0	0	0	109.8	F272 L295 V301 Y304 M311	F272-L297 HydrophobicContact CD1-CD1 4.3Å; F272-L297 HydrophobicContact CD1-CD2 3.39Å; F272-L297 HydrophobicContact CD1-CG 4.27Å; F272-L297 HydrophobicContact CE1-CD1 3.77Å; F272-L297 HydrophobicContact CE1-CD2 3.26Å; F272-L297 HydrophobicContact CE1-CG 4.08Å; F272-L297 HydrophobicContact CG-CD2 4.43Å; F272-L297 HydrophobicContact CZ-CD1 3.92Å; F272-L297 HydrophobicContact CZ-CD2 4.25Å; L295-L297 VanDerWaalsContact C-N 3.33Å; L295-L297 PolarHBondContact O-N 2.81Å; L297-V301 HydrophobicContact CD2-CG2 3.94Å; L297-Y304 HydrophobicContact CB-CD2 3.98Å; L297-Y304 HydrophobicContact CB-CE2 3.42Å; L297-Y304 VanDerWaalsContact CB-CE2 3.42Å; L297-Y304 WeakPolarHBondContact O-CE2 3.44Å; L297-Y304 PolarHBondContact O-OH 3.04Å; L297-M311 HydrophobicContact CD1-CE 3.47Å; L297-M311 VanDerWaalsContact CD1-CE 3.47Å
298	N	42.8	Very low	53.3	Low	106 Å²	106	66.6 Å²	66.6	57%	0.567	33%	0.331	S	S	*	.			trans	-71.9	142.5	169.9	-77.3	-47.8	0	0	0	110.1	D300	N298-D300 PolarHBondContact O-N 3.38Å
299	E	45.8	Very low	53.2	Low	174 Å²	174	70.4 Å²	70.4	81%	0.813	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-2.9	-179.3	-62.2	178.6	164.3	0	0	114.8
300	D	42.6	Very low	53.3	Low	159 Å²	159	70.5 Å²	70.5	85%	0.85	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	2.6	-174.7	-72	-35.6	0	0	0	114.5	N298	N298-D300 PolarHBondContact O-N 3.38Å
301	V	50.1	Low	53.1	Low	41 Å²	41	68 Å²	68	25%	0.248	34%	0.339	C	S	.	.	S	Bend	trans	-91.2	126.5	177.9	-163.2	0	0	0	0	110.3	L297 D303 Y304	L297-V301 HydrophobicContact CD2-CG2 3.94Å; V301-D303 PolarHBondContact O-N 3.01Å; V301-Y304 WeakPolarHBondContact O-CB 3.38Å; V301-Y304 PolarHBondContact O-N 3.22Å
302	E	43.4	Very low	53	Low	165 Å²	165	67.7 Å²	67.7	77%	0.771	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	136.3	170.4	-69.7	178.6	164.2	0	0	109.8
303	D	52.8	Low	53.3	Low	81 Å²	81	67.4 Å²	67.4	43%	0.433	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	31.4	-172.9	-61.4	-21.9	0	0	0	115.9	V301 E305 D306 L307	V301-D303 PolarHBondContact O-N 3.01Å; D303-E305 VanDerWaalsContact C-N 3.28Å; D303-E305 PolarHBondContact O-N 3.05Å; D303-D306 HydrophobicContact CB-CB 4.35Å; D303-D306 PolarHBondContact O-N 3.27Å; D303-L307 HydrophobicContact CB-CD1 4.22Å; D303-L307 VanDerWaalsContact O-CD1 3.31Å; D303-L307 WeakPolarHBondContact O-CD1 3.47Å; D303-L307 PolarHBondContact O-N 3.09Å
304	Y	55	Low	53.7	Low	61 Å²	61	68.1 Å²	68.1	24%	0.239	34%	0.34	C	S	.	.	H	α-helix	trans	-49.8	-42.1	173.9	-177.1	-94.7	0	0	0	114.3	L297 V301 L307 T308	L297-Y304 HydrophobicContact CB-CD2 3.98Å; L297-Y304 HydrophobicContact CB-CE2 3.42Å; L297-Y304 VanDerWaalsContact CB-CE2 3.42Å; L297-Y304 WeakPolarHBondContact O-CE2 3.44Å; L297-Y304 PolarHBondContact O-OH 3.04Å; V301-Y304 WeakPolarHBondContact O-CB 3.38Å; V301-Y304 PolarHBondContact O-N 3.22Å; Y304-L307 PolarHBondContact O-N 3.07Å; Y304-T308 VanDerWaalsContact O-CB 3.24Å; Y304-T308 WeakPolarHBondContact O-CB 3.5Å; Y304-T308 PolarHBondContact O-N 3.36Å; Y304-T308 PolarHBondContact O-OG1 3.4Å
305	E	56.7	Low	54.1	Low	148 Å²	148	69 Å²	69	69%	0.692	34%	0.344	S	S	*	.	H	α-helix	trans	-65.7	-45.8	-178.9	-68.9	-178.2	171.3	0	0	111.4	D303 L307 T308 E309	D303-E305 VanDerWaalsContact C-N 3.28Å; D303-E305 PolarHBondContact O-N 3.05Å; E305-L307 PolarHBondContact O-N 3.49Å; E305-T308 PolarHBondContact O-N 3.38Å; E305-E309 VanDerWaalsContact O-CB 3.28Å; E305-E309 WeakPolarHBondContact O-CB 3.48Å; E305-E309 PolarHBondContact O-N 2.92Å
306	D	59.2	Low	54.5	Low	67 Å²	67	68.5 Å²	68.5	36%	0.358	34%	0.342	S	S	.	.	H	α-helix	trans	-63.4	-43.3	176.8	-84.3	10.6	0	0	0	111.7	K282 D303 E309 I310	K282-D306 IonicContact NZ-OD2 3.83Å; D303-D306 HydrophobicContact CB-CB 4.35Å; D303-D306 PolarHBondContact O-N 3.27Å; D306-E309 PolarHBondContact O-N 3Å; D306-I310 WeakPolarHBondContact O-CB 3.49Å; D306-I310 WeakPolarHBondContact O-CD1 3.07Å; D306-I310 WeakPolarHBondContact O-CG1 3.41Å; D306-I310 PolarHBondContact O-N 3.34Å
307	L	59.9	Low	55.2	Low	2 Å²	2	62.4 Å²	62.4	1%	0.01	31%	0.314	C	S	.	.	H	α-helix	trans	-66.9	-39.3	179.4	-91.6	67.3	0	0	0	111.5	F272 Q281 K282 D303 Y304 E305 M311	F272-L307 HydrophobicContact CE1-CD2 3.84Å; F272-L307 HydrophobicContact CZ-CD2 3.77Å; Q281-L307 HydrophobicContact CB-CD2 4.11Å; K282-L307 HydrophobicContact CG-CD1 4.12Å; D303-L307 HydrophobicContact CB-CD1 4.22Å; D303-L307 VanDerWaalsContact O-CD1 3.31Å; D303-L307 WeakPolarHBondContact O-CD1 3.47Å; D303-L307 PolarHBondContact O-N 3.09Å; Y304-L307 PolarHBondContact O-N 3.07Å; E305-L307 PolarHBondContact O-N 3.49Å; L307-M311 VanDerWaalsContact O-CB 3.28Å; L307-M311 WeakPolarHBondContact O-CB 3.46Å; L307-M311 PolarHBondContact O-N 2.85Å
308	T	60.4	Low	55.8	Low	27 Å²	27	64.7 Å²	64.7	17%	0.166	33%	0.332	C	S	.	.	H	α-helix	trans	-70	-39.7	176.3	-55.7	0	0	0	0	110.8	Y304 E305 M311 S312	Y304-T308 VanDerWaalsContact O-CB 3.24Å; Y304-T308 WeakPolarHBondContact O-CB 3.5Å; Y304-T308 PolarHBondContact O-N 3.36Å; Y304-T308 PolarHBondContact O-OG1 3.4Å; E305-T308 PolarHBondContact O-N 3.38Å; T308-M311 PolarHBondContact O-N 3.03Å; T308-S312 WeakPolarHBondContact O-CB 3.32Å; T308-S312 PolarHBondContact O-N 3.17Å; T308-S312 PolarHBondContact O-OG 2.79Å
309	E	61.8	Low	56.7	Low	80 Å²	80	60.7 Å²	60.7	37%	0.374	31%	0.31	S	S	.	.	H	α-helix	trans	-64.7	-39.5	175.9	-167.4	-176.4	165	0	0	112	E305 D306 S312 N313 V314	E305-E309 VanDerWaalsContact O-CB 3.28Å; E305-E309 WeakPolarHBondContact O-CB 3.48Å; E305-E309 PolarHBondContact O-N 2.92Å; D306-E309 PolarHBondContact O-N 3Å; E309-S312 PolarHBondContact O-N 3.03Å; E309-N313 PolarHBondContact O-N 3.31Å; E309-V314 HydrophobicContact CG-CB 3.99Å; E309-V314 HydrophobicContact CG-CG2 4.11Å; E309-V314 PolarHBondContact O-N 3.21Å
310	I	60.5	Low	57.5	Low	6 Å²	6	52.9 Å²	52.9	3%	0.031	27%	0.273	C	S	.	.	H	α-helix	trans	-65.8	-48.4	173.2	-72	165.7	0	0	0	110.9	K282 A285 F286 D306 S312 N313 L827	K282-I310 HydrophobicContact CB-CD1 4.3Å; K282-I310 HydrophobicContact CD-CD1 4.13Å; K282-I310 HydrophobicContact CG-CD1 3.88Å; A285-I310 HydrophobicContact CB-CG2 3.87Å; F286-I310 HydrophobicContact CD1-CG2 3.68Å; F286-I310 HydrophobicContact CD2-CG2 3.82Å; F286-I310 HydrophobicContact CE1-CG2 3.61Å; F286-I310 HydrophobicContact CE2-CD1 4.39Å; F286-I310 HydrophobicContact CE2-CG2 3.74Å; F286-I310 HydrophobicContact CG-CG2 3.78Å; F286-I310 HydrophobicContact CZ-CB 4.48Å; F286-I310 HydrophobicContact CZ-CD1 4.44Å; F286-I310 HydrophobicContact CZ-CG1 4.12Å; F286-I310 HydrophobicContact CZ-CG2 3.64Å; D306-I310 WeakPolarHBondContact O-CB 3.49Å; D306-I310 WeakPolarHBondContact O-CD1 3.07Å; D306-I310 WeakPolarHBondContact O-CG1 3.41Å; D306-I310 PolarHBondContact O-N 3.34Å; I310-S312 PolarHBondContact O-N 3.28Å; I310-N313 PolarHBondContact O-N 3.3Å; I310-N313 VanDerWaalsContact O-N 3.07Å; I310-L827 HydrophobicContact CD1-CD1 3.85Å; I310-L827 HydrophobicContact CD1-CD2 4.16Å
311	M	55.9	Low	58.6	Low	6 Å²	6	47.6 Å²	47.6	3%	0.03	25%	0.245	C	C	.	.	H	α-helix	trans	-59.9	-38.1	178	-168.4	-178.1	-66.6	0	0	110.6	L288 F294 L295 L297 L307 T308 N313	L288-M311 HydrophobicContact CD1-CE 4.21Å; F294-M311 HydrophobicContact CB-SD 4.31Å; F294-M311 HydrophobicContact CD1-CG 3.79Å; F294-M311 HydrophobicContact CD1-SD 4.12Å; F294-M311 HydrophobicContact CE1-CG 4.29Å; F294-M311 WeakPolarHBondContact CE1-O 3.38Å; L295-M311 HydrophobicContact CB-CE 4.41Å; L295-M311 PolarHBondContact N-SD 3.14Å; L297-M311 HydrophobicContact CD1-CE 3.47Å; L297-M311 VanDerWaalsContact CD1-CE 3.47Å; L307-M311 VanDerWaalsContact O-CB 3.28Å; L307-M311 WeakPolarHBondContact O-CB 3.46Å; L307-M311 PolarHBondContact O-N 2.85Å; T308-M311 PolarHBondContact O-N 3.03Å; M311-N313 PolarHBondContact O-N 3.08Å
312	S	55.1	Low	59.3	Low	9 Å²	9	47.4 Å²	47.4	6%	0.063	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-0.2	177.2	-72.7	0	0	0	0	115.3	T308 E309 I310 V314 V445 R446	T308-S312 WeakPolarHBondContact O-CB 3.32Å; T308-S312 PolarHBondContact O-N 3.17Å; T308-S312 PolarHBondContact O-OG 2.79Å; E309-S312 PolarHBondContact O-N 3.03Å; I310-S312 PolarHBondContact O-N 3.28Å; S312-V314 PolarHBondContact O-N 2.87Å; S312-V314 VanDerWaalsContact O-N 3.14Å; S312-V445 WeakPolarHBondContact O-CA 3.19Å; S312-V445 WeakPolarHBondContact O-CG1 3.12Å; S312-R446 WeakPolarHBondContact CB-O 3.38Å; S312-R446 PolarHBondContact O-N 2.93Å; S312-R446 PolarHBondContact OG-O 3.17Å
313	N	60.6	Low	60.1	Low	9 Å²	9	39.7 Å²	39.7	5%	0.048	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	21.9	177.2	-72.1	-47	0	0	0	115.4	G289 E309 I310 M311 Q315 L316 W410 G444	G289-N313 PolarHBondContact O-ND2 3.18Å; E309-N313 PolarHBondContact O-N 3.31Å; I310-N313 PolarHBondContact O-N 3.3Å; I310-N313 VanDerWaalsContact O-N 3.07Å; M311-N313 PolarHBondContact O-N 3.08Å; N313-Q315 PolarHBondContact O-N 2.97Å; N313-L316 HydrophobicContact CB-CB 4.11Å; N313-L316 HydrophobicContact CB-CD1 4.13Å; N313-L316 WeakPolarHBondContact O-CB 3.37Å; N313-L316 PolarHBondContact O-N 2.86Å; N313-W410 HydrophobicContact CB-CZ3 4.3Å; N313-G444 PolarHBondContact ND2-O 3.39Å; N313-G444 VanDerWaalsContact ND2-O 3.15Å
314	V	60.9	Low	60.6	Low	56 Å²	56	35.9 Å²	35.9	34%	0.339	19%	0.192	S	C	.	.	H	α-helix	trans	-60.3	-36.4	-176.2	179.2	0	0	0	0	111.8	E309 S312 L316 V445	E309-V314 HydrophobicContact CG-CB 3.99Å; E309-V314 HydrophobicContact CG-CG2 4.11Å; E309-V314 PolarHBondContact O-N 3.21Å; S312-V314 PolarHBondContact O-N 2.87Å; S312-V314 VanDerWaalsContact O-N 3.14Å; V314-L316 VanDerWaalsContact C-N 3.31Å; V314-L316 PolarHBondContact O-N 2.67Å; V314-V445 HydrophobicContact CG2-CG1 4.16Å
315	Q	58.8	Low	61.2	Low	58 Å²	58	39.7 Å²	39.7	27%	0.271	21%	0.206	S	C	.	.	H	α-helix	trans	-78.9	-9.6	179	-63	-175.5	0.4	0	0	113.9	N313 N317 S318 N319	N313-Q315 PolarHBondContact O-N 2.97Å; Q315-N317 VanDerWaalsContact C-N 3.32Å; Q315-N317 PolarHBondContact O-N 2.98Å; Q315-S318 PolarHBondContact O-N 3.25Å; Q315-S318 PolarHBondContact O-OG 3.36Å; Q315-N319 PolarHBondContact O-N 2.92Å; Q315-N319 VanDerWaalsContact O-N 3.09Å; Q315-N319 PolarHBondContact O-ND2 3.46Å; Q315-N319 VanDerWaalsContact O-ND2 3.07Å
316	L	62.4	Low	61.4	Low	13 Å²	13	39.5 Å²	39.5	7%	0.068	21%	0.205	C	C	.	.	H	α-helix	trans	-60.3	-41.8	-176.1	-169.1	156.2	0	0	0	111.5	N313 V314 N319 F320 W410 P817 M819 F887	N313-L316 HydrophobicContact CB-CB 4.11Å; N313-L316 HydrophobicContact CB-CD1 4.13Å; N313-L316 WeakPolarHBondContact O-CB 3.37Å; N313-L316 PolarHBondContact O-N 2.86Å; V314-L316 VanDerWaalsContact C-N 3.31Å; V314-L316 PolarHBondContact O-N 2.67Å; L316-N319 PolarHBondContact O-N 3.39Å; L316-F320 VanDerWaalsContact O-CB 3.25Å; L316-F320 WeakPolarHBondContact O-CB 3.38Å; L316-F320 PolarHBondContact O-N 2.98Å; L316-W410 HydrophobicContact CD1-CE3 4.32Å; L316-W410 HydrophobicContact CD1-CZ3 4.23Å; L316-W410 HydrophobicContact CD2-CD2 4.1Å; L316-W410 HydrophobicContact CD2-CE3 4.2Å; L316-W410 HydrophobicContact CD2-CG 4.22Å; L316-P817 HydrophobicContact CD2-CG 4.23Å; L316-M819 HydrophobicContact CD2-CE 4.47Å; L316-M819 HydrophobicContact CG-CE 4.16Å; L316-F887 HydrophobicContact CG-CE2 4.46Å; L316-F887 HydrophobicContact CG-CZ 4.45Å
317	N	62.2	Low	61.5	Low	25 Å²	25	39.3 Å²	39.3	13%	0.134	20%	0.203	C	C	.	.	H	α-helix	trans	-65.2	-47.1	177.9	-174.9	-2.5	0	0	0	112.1	Q315 N319 F320 L321 W410 D411	Q315-N317 VanDerWaalsContact C-N 3.32Å; Q315-N317 PolarHBondContact O-N 2.98Å; N317-N319 VanDerWaalsContact C-N 3.26Å; N317-N319 PolarHBondContact O-N 2.87Å; N317-F320 PolarHBondContact O-N 3.23Å; N317-L321 WeakPolarHBondContact O-CB 3.35Å; N317-L321 PolarHBondContact O-N 3.5Å; N317-W410 HydrophobicContact CB-CB 4.01Å; N317-W410 VanDerWaalsContact CB-O 3.28Å; N317-W410 WeakPolarHBondContact CB-O 3.47Å; N317-W410 VanDerWaalsContact ND2-C 3.31Å; N317-W410 PolarHBondContact ND2-O 3.13Å; N317-D411 WeakPolarHBondContact ND2-CA 3.49Å; N317-D411 VanDerWaalsContact ND2-CB 3.32Å; N317-D411 WeakPolarHBondContact ND2-CB 3.35Å; N317-D411 PolarHBondContact ND2-N 3.26Å
318	S	65.9	Low	61.6	Low	66 Å²	66	46.3 Å²	46.3	46%	0.462	24%	0.241	S	C	.	.	H	α-helix	trans	-58.3	-40.4	178.9	74.7	0	0	0	0	112.3	Q315 A322	Q315-S318 PolarHBondContact O-N 3.25Å; Q315-S318 PolarHBondContact O-OG 3.36Å; S318-A322 WeakPolarHBondContact O-CB 3.27Å; S318-A322 PolarHBondContact O-N 2.84Å
319	N	60.9	Low	61.7	Low	21 Å²	21	47 Å²	47	11%	0.112	24%	0.243	C	C	.	.	H	α-helix	trans	-75.2	-37.9	179.6	-69.1	-36.2	0	0	0	112.3	Q315 L316 N317 L321 A322 L323 F823 F887	Q315-N319 PolarHBondContact O-N 2.92Å; Q315-N319 VanDerWaalsContact O-N 3.09Å; Q315-N319 PolarHBondContact O-ND2 3.46Å; Q315-N319 VanDerWaalsContact O-ND2 3.07Å; L316-N319 PolarHBondContact O-N 3.39Å; N317-N319 VanDerWaalsContact C-N 3.26Å; N317-N319 PolarHBondContact O-N 2.87Å; N319-L321 VanDerWaalsContact C-N 3.34Å; N319-A322 WeakPolarHBondContact O-CB 3.44Å; N319-A322 PolarHBondContact O-N 2.82Å; N319-L323 WeakPolarHBondContact O-CB 3.17Å; N319-L323 PolarHBondContact O-N 3.14Å; N319-F823 WeakPolarHBondContact ND2-CZ 3.44Å; N319-F887 HydrophobicContact CB-CE1 4.27Å; N319-F887 HydrophobicContact CB-CZ 4.5Å
320	F	61.5	Low	61.5	Low	10 Å²	10	47.8 Å²	47.8	4%	0.044	25%	0.248	C	C	.	.	H	α-helix	trans	-64.5	-40.5	173.3	-177.6	-101	0	0	0	111.5	L316 N317 L323 A324 G374 F375 T765 L766 P817 M819	L316-F320 VanDerWaalsContact O-CB 3.25Å; L316-F320 WeakPolarHBondContact O-CB 3.38Å; L316-F320 PolarHBondContact O-N 2.98Å; N317-F320 PolarHBondContact O-N 3.23Å; F320-L323 WeakPolarHBondContact O-CB 3.48Å; F320-L323 PolarHBondContact O-N 2.54Å; F320-A324 PolarHBondContact O-N 3.34Å; F320-G374 WeakPolarHBondContact CD1-O 3.26Å; F320-G374 WeakPolarHBondContact CE1-O 3.46Å; F320-F375 HydrophobicContact CE1-CD1 4.5Å; F320-F375 HydrophobicContact CE1-CD2 4.38Å; F320-F375 HydrophobicContact CE1-CE1 4.27Å; F320-F375 HydrophobicContact CE1-CE2 4.11Å; F320-F375 HydrophobicContact CE1-CZ 4.07Å; F320-F375 HydrophobicContact CZ-CE2 4.01Å; F320-F375 AromaticContact CZ-CZ 3.92Å; F320-F375 HydrophobicContact CZ-CZ 3.92Å; F320-T765 WeakPolarHBondContact CE2-OG1 3.5Å; F320-T765 VanDerWaalsContact CZ-OG1 3.25Å; F320-T765 WeakPolarHBondContact CZ-OG1 3.46Å; F320-L766 HydrophobicContact CE2-CD2 3.96Å; F320-L766 HydrophobicContact CZ-CD2 4.09Å; F320-L766 HydrophobicContact CZ-CG 4.43Å; F320-P817 HydrophobicContact CD2-CB 3.84Å; F320-P817 HydrophobicContact CE2-CB 3.95Å; F320-M819 HydrophobicContact CD2-SD 4.46Å
321	L	66.4	Low	61.3	Low	49 Å²	49	55.3 Å²	55.3	26%	0.257	28%	0.283	S	S	.	.	H	α-helix	trans	-69.6	-36.1	176.8	-151.8	151.4	0	0	0	110.9	N317 N319 A324 R325 M330	N317-L321 WeakPolarHBondContact O-CB 3.35Å; N317-L321 PolarHBondContact O-N 3.5Å; N319-L321 VanDerWaalsContact C-N 3.34Å; L321-A324 WeakPolarHBondContact O-CB 3.49Å; L321-A324 PolarHBondContact O-N 2.76Å; L321-R325 HydrophobicContact CD2-CG 4.44Å; L321-R325 WeakPolarHBondContact O-CG 3.01Å; L321-R325 PolarHBondContact O-N 3.21Å; L321-R325 VanDerWaalsContact O-N 3.12Å; L321-M330 HydrophobicContact CD2-SD 4.3Å
322	A	64.1	Low	61.5	Low	37 Å²	37	56.3 Å²	56.3	31%	0.306	29%	0.29	S	S	.	.	H	α-helix	trans	-60.5	-46.9	170.7	0	0	0	0	0	111.9	S318 N319 A324 R325 E326	S318-A322 WeakPolarHBondContact O-CB 3.27Å; S318-A322 PolarHBondContact O-N 2.84Å; N319-A322 WeakPolarHBondContact O-CB 3.44Å; N319-A322 PolarHBondContact O-N 2.82Å; A322-A324 VanDerWaalsContact C-N 3.29Å; A322-A324 PolarHBondContact O-N 3.24Å; A322-R325 WeakPolarHBondContact O-CB 3.45Å; A322-R325 PolarHBondContact O-N 3.17Å; A322-E326 PolarHBondContact O-N 2.83Å
323	L	61	Low	61.9	Low	3 Å²	3	60.1 Å²	60.1	2%	0.016	31%	0.305	C	S	.	.	H	α-helix	trans	-59.4	-39.1	174.3	179.1	149	0	0	0	112.2	N319 F320 R325 E326 L327 T765 M819 V821 P861 L863	N319-L323 WeakPolarHBondContact O-CB 3.17Å; N319-L323 PolarHBondContact O-N 3.14Å; F320-L323 WeakPolarHBondContact O-CB 3.48Å; F320-L323 PolarHBondContact O-N 2.54Å; L323-R325 VanDerWaalsContact C-N 3.28Å; L323-R325 PolarHBondContact O-N 3.2Å; L323-E326 PolarHBondContact O-N 3.36Å; L323-L327 HydrophobicContact CD2-CD1 3.51Å; L323-L327 HydrophobicContact CD2-CG 4.41Å; L323-L327 HydrophobicContact CG-CD1 4.03Å; L323-L327 WeakPolarHBondContact O-CB 3.37Å; L323-L327 WeakPolarHBondContact O-CG 3.47Å; L323-L327 PolarHBondContact O-N 3.24Å; L323-T765 HydrophobicContact CD2-CG2 4.43Å; L323-M819 HydrophobicContact CD1-CB 3.33Å; L323-M819 HydrophobicContact CD1-CG 4.34Å; L323-M819 HydrophobicContact CD1-SD 4.12Å; L323-V821 HydrophobicContact CD1-CG2 4.36Å; L323-P861 HydrophobicContact CD1-CB 3.81Å; L323-P861 HydrophobicContact CG-CB 4.19Å; L323-P861 HydrophobicContact CG-CG 4.43Å; L323-L863 HydrophobicContact CD2-CD2 4.45Å
324	A	64	Low	62	Low	1 Å²	1	61.5 Å²	61.5	1%	0.008	31%	0.314	C	S	.	.	H	α-helix	trans	-63.7	-31.7	174.7	0	0	0	0	0	113.3	F320 L321 A322 D328 I329 M330 F375	F320-A324 PolarHBondContact O-N 3.34Å; L321-A324 WeakPolarHBondContact O-CB 3.49Å; L321-A324 PolarHBondContact O-N 2.76Å; A322-A324 VanDerWaalsContact C-N 3.29Å; A322-A324 PolarHBondContact O-N 3.24Å; A324-D328 PolarHBondContact O-N 2.88Å; A324-I329 PolarHBondContact O-N 3.28Å; A324-M330 HydrophobicContact CB-CG 4.07Å; A324-F375 HydrophobicContact CB-CD1 3.82Å; A324-F375 HydrophobicContact CB-CE1 3.47Å; A324-F375 VanDerWaalsContact CB-CE1 3.47Å
325	R	65.9	Low	61.9	Low	141 Å²	141	59.1 Å²	59.1	53%	0.532	30%	0.3	S	S	.	.	H	α-helix	trans	-73	-45.9	174.3	-37.6	-159.2	-170.4	142.2	8.6	111.2	L321 A322 L323 L327 D328 M330	L321-R325 HydrophobicContact CD2-CG 4.44Å; L321-R325 WeakPolarHBondContact O-CG 3.01Å; L321-R325 PolarHBondContact O-N 3.21Å; L321-R325 VanDerWaalsContact O-N 3.12Å; A322-R325 WeakPolarHBondContact O-CB 3.45Å; A322-R325 PolarHBondContact O-N 3.17Å; L323-R325 VanDerWaalsContact C-N 3.28Å; L323-R325 PolarHBondContact O-N 3.2Å; R325-L327 VanDerWaalsContact C-N 3.26Å; R325-L327 PolarHBondContact O-N 3.05Å; R325-D328 PolarHBondContact O-N 2.86Å; R325-D328 VanDerWaalsContact O-N 3.07Å; R325-M330 HydrophobicContact CB-CE 3.68Å; R325-M330 HydrophobicContact CB-SD 4.47Å; R325-M330 HydrophobicContact CG-CE 3.43Å; R325-M330 VanDerWaalsContact CG-CE 3.43Å; R325-M330 HydrophobicContact CG-CG 4.49Å; R325-M330 HydrophobicContact CG-SD 3.74Å
326	E	61	Low	62	Low	144 Å²	144	61 Å²	61	67%	0.673	31%	0.311	S	S	*	.	H	α-helix	trans	-64.6	-31.1	-179.5	-69.1	-62.4	154.6	0	0	112.7	A322 L323 D328 P861	A322-E326 PolarHBondContact O-N 2.83Å; L323-E326 PolarHBondContact O-N 3.36Å; E326-D328 VanDerWaalsContact C-N 3.34Å; E326-P861 HydrophobicContact CB-CG 4.16Å; E326-P861 HydrophobicContact CG-CG 4.34Å
327	L	61.3	Low	62.1	Low	62 Å²	62	65.1 Å²	65.1	33%	0.325	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-2	175.5	-64.4	176.7	0	0	0	113.8	L323 R325 I329 L863	L323-L327 HydrophobicContact CD2-CD1 3.51Å; L323-L327 HydrophobicContact CD2-CG 4.41Å; L323-L327 HydrophobicContact CG-CD1 4.03Å; L323-L327 WeakPolarHBondContact O-CB 3.37Å; L323-L327 WeakPolarHBondContact O-CG 3.47Å; L323-L327 PolarHBondContact O-N 3.24Å; R325-L327 VanDerWaalsContact C-N 3.26Å; R325-L327 PolarHBondContact O-N 3.05Å; L327-I329 HydrophobicContact CB-CB 4.38Å; L327-I329 HydrophobicContact CB-CD1 3.64Å; L327-I329 HydrophobicContact CB-CG1 3.77Å; L327-I329 HydrophobicContact CD1-CD1 4.01Å; L327-I329 HydrophobicContact CG-CD1 4.45Å; L327-I329 WeakPolarHBondContact O-CG1 3.38Å; L327-I329 PolarHBondContact O-N 3.02Å; L327-L863 HydrophobicContact CD1-CD1 3.94Å; L327-L863 HydrophobicContact CD1-CG 4.06Å
328	D	62	Low	62.1	Low	149 Å²	149	64.8 Å²	64.8	80%	0.797	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	30.1	-172	-73.4	-38.9	0	0	0	113.6	A324 R325 E326	A324-D328 PolarHBondContact O-N 2.88Å; R325-D328 PolarHBondContact O-N 2.86Å; R325-D328 VanDerWaalsContact O-N 3.07Å; E326-D328 VanDerWaalsContact C-N 3.34Å
329	I	62.7	Low	61.8	Low	43 Å²	43	62.1 Å²	62.1	22%	0.221	31%	0.312	C	S	.	.			trans	-95.6	1.2	-175.9	-64.2	176.4	0	0	0	111.8	A324 L327 E331 F375 K763	A324-I329 PolarHBondContact O-N 3.28Å; L327-I329 HydrophobicContact CB-CB 4.38Å; L327-I329 HydrophobicContact CB-CD1 3.64Å; L327-I329 HydrophobicContact CB-CG1 3.77Å; L327-I329 HydrophobicContact CD1-CD1 4.01Å; L327-I329 HydrophobicContact CG-CD1 4.45Å; L327-I329 WeakPolarHBondContact O-CG1 3.38Å; L327-I329 PolarHBondContact O-N 3.02Å; I329-E331 VanDerWaalsContact C-N 3.25Å; I329-E331 PolarHBondContact O-N 2.78Å; I329-E331 VanDerWaalsContact O-N 3.16Å; I329-F375 HydrophobicContact CG2-CE1 4.13Å; I329-F375 HydrophobicContact CG2-CZ 4.16Å; I329-K763 HydrophobicContact CG2-CB 3.7Å; I329-K763 HydrophobicContact CG2-CD 3.28Å; I329-K763 HydrophobicContact CG2-CG 4.11Å; I329-K763 WeakPolarHBondContact O-CD 3.31Å; I329-K763 PolarHBondContact O-NZ 3.44Å
330	M	59.2	Low	61.8	Low	96 Å²	96	66.5 Å²	66.5	47%	0.473	33%	0.33	S	S	.	.			trans	-60.3	-27.1	-176.9	-81.2	-159.9	-73.3	0	0	114.6	L321 A324 R325 P332 K763	L321-M330 HydrophobicContact CD2-SD 4.3Å; A324-M330 HydrophobicContact CB-CG 4.07Å; R325-M330 HydrophobicContact CB-CE 3.68Å; R325-M330 HydrophobicContact CB-SD 4.47Å; R325-M330 HydrophobicContact CG-CE 3.43Å; R325-M330 VanDerWaalsContact CG-CE 3.43Å; R325-M330 HydrophobicContact CG-CG 4.49Å; R325-M330 HydrophobicContact CG-SD 3.74Å; M330-P332 WeakPolarHBondContact O-CD 3.46Å; M330-K763 PolarHBondContact O-NZ 2.97Å
331	E	56.4	Low	61.5	Low	164 Å²	164	69 Å²	69	77%	0.766	35%	0.346	S	S	*	.	S	Bend	trans	-63	122.6	-178.7	-66.6	-166.4	155.6	0	0	111.7	I329 K333 K763	I329-E331 VanDerWaalsContact C-N 3.25Å; I329-E331 PolarHBondContact O-N 2.78Å; I329-E331 VanDerWaalsContact O-N 3.16Å; E331-K333 PolarHBondContact O-N 3.31Å; E331-K763 PolarHBondContact O-NZ 3.48Å
332	P	59.6	Low	60.9	Low	27 Å²	27	75.6 Å²	75.6	18%	0.175	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-66.6	128.6	-177.2	26	-33	0	0	0	109.9	M330 K379	M330-P332 WeakPolarHBondContact O-CD 3.46Å; P332-K379 HydrophobicContact CG-CD 4.15Å; P332-K379 HydrophobicContact CG-CG 3.99Å
333	K	62.7	Low	60.3	Low	89 Å²	89	79.5 Å²	79.5	39%	0.387	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-87.1	131.9	175.4	-70.2	-175.9	-179.1	174.6	0	108.8	E331 V371 N372 K763	E331-K333 PolarHBondContact O-N 3.31Å; K333-V371 HydrophobicContact CB-CG1 4.05Å; K333-N372 PolarHBondContact O-ND2 3.47Å; K333-K763 HydrophobicContact CD-CG 4.45Å
334	V	62.2	Low	59.9	Low	37 Å²	37	81.8 Å²	81.8	22%	0.224	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-80.2	143.9	175.3	-175.1	0	0	0	0	108	D336 D337 L380	V334-D336 HydrophobicContact CG1-CB 4.05Å; V334-D336 PolarHBondContact O-N 3.5Å; V334-D336 VanDerWaalsContact O-N 3.08Å; V334-D337 PolarHBondContact N-OD2 3.38Å; V334-D337 WeakPolarHBondContact O-CB 3.35Å; V334-D337 PolarHBondContact O-N 3.22Å; V334-L380 HydrophobicContact CG1-CD1 3.87Å
335	P	59.7	Low	58.9	Low	7 Å²	7	87.5 Å²	87.5	5%	0.045	43%	0.431	C	S	.	.	H	α-helix	trans	-49.4	-32.9	171.8	-30.3	36.9	0	0	0	113.7	D337 I338 Y339 V367 N368 L380	P335-D337 VanDerWaalsContact C-N 3.33Å; P335-D337 PolarHBondContact O-N 3.42Å; P335-I338 WeakPolarHBondContact O-CB 3.47Å; P335-I338 PolarHBondContact O-N 3.46Å; P335-Y339 HydrophobicContact CB-CE2 3.94Å; P335-Y339 VanDerWaalsContact O-CD2 3.24Å; P335-Y339 WeakPolarHBondContact O-CD2 3.5Å; P335-Y339 VanDerWaalsContact O-CG 3.22Å; P335-Y339 PolarHBondContact O-N 3.14Å; P335-V367 HydrophobicContact CB-CG1 4Å; P335-V367 HydrophobicContact CG-CG1 4.34Å; P335-N368 HydrophobicContact CG-CB 3.9Å; P335-L380 HydrophobicContact CG-CD1 4.03Å
336	D	61	Low	58	Low	96 Å²	96	88 Å²	88	51%	0.513	44%	0.444	S	S	.	.	H	α-helix	trans	-65	-30	175.8	-71.1	-30.1	0	0	0	114	V334 I338 K340	V334-D336 HydrophobicContact CG1-CB 4.05Å; V334-D336 PolarHBondContact O-N 3.5Å; V334-D336 VanDerWaalsContact O-N 3.08Å; D336-I338 VanDerWaalsContact C-N 3.29Å; D336-I338 PolarHBondContact O-N 3.23Å; D336-K340 PolarHBondContact O-N 3.07Å
337	D	63.5	Low	57.2	Low	101 Å²	101	91.9 Å²	91.9	54%	0.54	45%	0.453	S	S	.	.	H	α-helix	trans	-71.1	-28.9	175.3	-63.3	-40.1	0	0	0	111.6	V334 P335 K340	V334-D337 PolarHBondContact N-OD2 3.38Å; V334-D337 WeakPolarHBondContact O-CB 3.35Å; V334-D337 PolarHBondContact O-N 3.22Å; P335-D337 VanDerWaalsContact C-N 3.33Å; P335-D337 PolarHBondContact O-N 3.42Å; D337-K340 VanDerWaalsContact O-CG 3.3Å; D337-K340 WeakPolarHBondContact O-CG 3.22Å
338	I	62.1	Low	56	Low	18 Å²	18	98.3 Å²	98.3	9%	0.092	48%	0.478	C	S	.	.	H	α-helix	trans	-80.9	-44	177.7	-67.1	167	0	0	0	110.6	P335 D336 K340 V367 V371 Q756 H760	P335-I338 WeakPolarHBondContact O-CB 3.47Å; P335-I338 PolarHBondContact O-N 3.46Å; D336-I338 VanDerWaalsContact C-N 3.29Å; D336-I338 PolarHBondContact O-N 3.23Å; I338-K340 PolarHBondContact O-N 3.46Å; I338-V367 HydrophobicContact CD1-CG1 4.43Å; I338-V371 HydrophobicContact CD1-CB 3.98Å; I338-V371 HydrophobicContact CD1-CG1 3.63Å; I338-V371 HydrophobicContact CD1-CG2 3.16Å; I338-Q756 HydrophobicContact CG2-CB 4.44Å; I338-H760 HydrophobicContact CD1-CB 4.27Å; I338-H760 VanDerWaalsContact CG2-CD2 3.46Å; I338-H760 WeakPolarHBondContact CG2-CD2 3.36Å
339	Y	59.8	Low	55.1	Low	9 Å²	9	95.5 Å²	95.5	4%	0.035	49%	0.485	C	S	.	.	H	α-helix	trans	-60.6	-24.8	173.4	-60.8	-28.6	0	0	0	111.2	P335 T341 V367 R753 Q756	P335-Y339 HydrophobicContact CB-CE2 3.94Å; P335-Y339 VanDerWaalsContact O-CD2 3.24Å; P335-Y339 WeakPolarHBondContact O-CD2 3.5Å; P335-Y339 VanDerWaalsContact O-CG 3.22Å; P335-Y339 PolarHBondContact O-N 3.14Å; Y339-T341 PolarHBondContact O-N 3.41Å; Y339-V367 HydrophobicContact CE1-CG1 4.43Å; Y339-V367 HydrophobicContact CE1-CG2 4.4Å; Y339-V367 WeakPolarHBondContact OH-CG2 3.37Å; Y339-R753 HydrophobicContact CD1-CG 4.41Å; Y339-R753 HydrophobicContact CE1-CB 4Å; Y339-R753 HydrophobicContact CE1-CG 3.67Å; Y339-Q756 VanDerWaalsContact CD1-OE1 3.27Å
340	K	60.9	Low	53.9	Low	114 Å²	114	96.7 Å²	96.7	50%	0.496	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.1	52.5	-172.2	-69.7	-171.8	175.7	-178.6	0	108.8	D336 D337 I338 H342 L343 E344	D336-K340 PolarHBondContact O-N 3.07Å; D337-K340 VanDerWaalsContact O-CG 3.3Å; D337-K340 WeakPolarHBondContact O-CG 3.22Å; I338-K340 PolarHBondContact O-N 3.46Å; K340-H342 PolarHBondContact O-N 3.14Å; K340-L343 HydrophobicContact CB-CB 4.17Å; K340-L343 WeakPolarHBondContact O-CA 3.17Å; K340-L343 WeakPolarHBondContact O-CB 3.35Å; K340-L343 PolarHBondContact O-N 3.32Å; K340-E344 PolarHBondContact O-N 2.84Å
341	T	56.2	Low	53.2	Low	63 Å²	63	98.3 Å²	98.3	39%	0.387	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-25.5	-171.1	-38	0	0	0	0	112.2	Y339 L343 E344	Y339-T341 PolarHBondContact O-N 3.41Å; T341-L343 VanDerWaalsContact C-N 3.32Å; T341-L343 PolarHBondContact O-N 3.48Å; T341-E344 PolarHBondContact O-N 3.13Å
342	H	54.3	Low	52.3	Low	186 Å²	186	93.9 Å²	93.9	86%	0.861	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-22.9	171.8	-67.6	-63.9	0	0	0	115.1	K340	K340-H342 PolarHBondContact O-N 3.14Å
343	L	51.8	Low	51.1	Low	119 Å²	119	97.2 Å²	97.2	62%	0.623	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	-21.7	177.9	-143.4	87.1	0	0	0	112.1	K340 T341 N345	K340-L343 HydrophobicContact CB-CB 4.17Å; K340-L343 WeakPolarHBondContact O-CA 3.17Å; K340-L343 WeakPolarHBondContact O-CB 3.35Å; K340-L343 PolarHBondContact O-N 3.32Å; T341-L343 VanDerWaalsContact C-N 3.32Å; T341-L343 PolarHBondContact O-N 3.48Å; L343-N345 PolarHBondContact O-N 2.99Å
344	E	51.8	Low	50.3	Low	52 Å²	52	101 Å²	101	24%	0.243	57%	0.57	C	S	.	*	S	Bend	trans	-75	72	169.3	-63.6	-158.5	161	0	0	109.6	K340 T341 N346	K340-E344 PolarHBondContact O-N 2.84Å; T341-E344 PolarHBondContact O-N 3.13Å; E344-N346 PolarHBondContact O-N 2.96Å
345	N	43	Very low	49.2	Very low	120 Å²	120	104.9 Å²	104.9	64%	0.642	59%	0.593	S	S	*	*			trans	-68.2	118	178.9	-101.3	-30.3	0	0	0	110.8	L343 R347	L343-N345 PolarHBondContact O-N 2.99Å; N345-R347 VanDerWaalsContact C-N 3.26Å; N345-R347 PolarHBondContact O-N 3.15Å
346	N	47.3	Very low	48.7	Very low	152 Å²	152	107.7 Å²	107.7	81%	0.813	61%	0.608	S	S	*	*			trans	-47.3	81.5	161.5	-82	-32.6	0	0	0	111.6	E344 F348	E344-N346 PolarHBondContact O-N 2.96Å; N346-F348 PolarHBondContact O-N 3.08Å
347	R	43	Very low	48.6	Very low	226 Å²	226	105.2 Å²	105.2	85%	0.853	60%	0.598	S	S	*	*			trans	-76.7	6.1	-176.8	-100.2	-173.3	176.8	-171.7	0.8	115.1	N345	N345-R347 VanDerWaalsContact C-N 3.26Å; N345-R347 PolarHBondContact O-N 3.15Å
348	F	36.4	Very low	48.5	Very low	196 Å²	196	103.3 Å²	103.3	86%	0.86	60%	0.597	S	S	*	*	S	Bend	trans	-133.4	113.1	168.9	-85.8	-84.1	0	0	0	110.6	N346 G350	N346-F348 PolarHBondContact O-N 3.08Å; F348-G350 PolarHBondContact O-N 3.01Å
349	G	43.3	Very low	48.3	Very low	91 Å²	91	107.2 Å²	107.2	94%	0.938	61%	0.61	S	S	*	*			trans	-60.8	126	174.4	0	0	0	0	0	111.4
350	G	37.7	Very low	48.5	Very low	67 Å²	67	109.1 Å²	109.1	69%	0.691	62%	0.62	S	S	*	*	S	Bend	trans	159.3	96.8	174.3	0	0	0	0	0	111.1	F348 G352	F348-G350 PolarHBondContact O-N 3.01Å; G350-G352 PolarHBondContact O-N 3.28Å
351	S	44.7	Very low	48.8	Very low	130 Å²	130	103.9 Å²	103.9	91%	0.909	60%	0.597	S	S	*	*			trans	16.5	86.9	158.1	178.2	0	0	0	0	116.3
352	G	36.5	Very low	49.2	Very low	71 Å²	71	101.4 Å²	101.4	73%	0.732	58%	0.582	S	S	*	*			trans	-119.5	91.8	168.2	0	0	0	0	0	109.8	G350 Q354	G350-G352 PolarHBondContact O-N 3.28Å; G352-Q354 PolarHBondContact O-N 3.39Å
353	S	35.9	Very low	49.6	Very low	98 Å²	98	92.6 Å²	92.6	69%	0.685	54%	0.541	S	S	*	.			trans	-53.8	125.8	160.5	46.7	0	0	0	0	108.5	V355	S353-V355 PolarHBondContact O-N 3.03Å
354	Q	44.8	Very low	50.4	Low	169 Å²	169	87.8 Å²	87.8	79%	0.79	52%	0.518	S	S	*	.			trans	-53.9	99.6	167.6	-91.9	175.8	-33.5	0	0	108.8	G352 D356	G352-Q354 PolarHBondContact O-N 3.39Å; Q354-D356 PolarHBondContact O-N 3.36Å
355	V	39.2	Very low	51.2	Low	117 Å²	117	85.4 Å²	85.4	71%	0.709	51%	0.506	S	S	*	.			trans	-86.9	95.8	162.4	-178.2	0	0	0	0	105.3	S353 S357	S353-V355 PolarHBondContact O-N 3.03Å; V355-S357 VanDerWaalsContact C-N 3.28Å; V355-S357 PolarHBondContact O-N 2.92Å
356	D	49.6	Very low	52.3	Low	66 Å²	66	79.7 Å²	79.7	35%	0.353	48%	0.476	S	S	.	.			trans	-58.5	95.8	164.7	-84.9	-16	0	0	0	107.9	Q354 K391	Q354-D356 PolarHBondContact O-N 3.36Å; D356-K391 IonicContact OD2-NZ 3.49Å; D356-K391 PolarHBondContact OD2-NZ 3.32Å
357	S	59.6	Low	53.3	Low	45 Å²	45	72.4 Å²	72.4	32%	0.315	44%	0.437	S	S	.	.			trans	-63.7	141.1	171.2	178.8	0	0	0	0	109	V355 R359 M360 N361	V355-S357 VanDerWaalsContact C-N 3.28Å; V355-S357 PolarHBondContact O-N 2.92Å; S357-R359 PolarHBondContact O-N 2.83Å; S357-M360 WeakPolarHBondContact O-CA 3.39Å; S357-M360 WeakPolarHBondContact O-CB 3.48Å; S357-M360 PolarHBondContact O-N 3.36Å; S357-N361 PolarHBondContact O-N 3.22Å; S357-N361 VanDerWaalsContact O-N 3.1Å
358	A	59.7	Low	54.6	Low	61 Å²	61	61.9 Å²	61.9	50%	0.504	40%	0.398	S	S	.	.	H	α-helix	trans	-53.9	-28.6	175.1	0	0	0	0	0	112.6	L362	A358-L362 PolarHBondContact O-N 3.24Å; A358-L362 VanDerWaalsContact O-N 3.13Å
359	R	59.2	Low	56	Low	99 Å²	99	52.5 Å²	52.5	37%	0.374	36%	0.357	S	S	.	.	H	α-helix	trans	-74.2	-33.1	173.4	-70.1	-175.1	168.6	157.3	-0.2	113.2	S357 N361 L362 A363 N747 F750 L801	S357-R359 PolarHBondContact O-N 2.83Å; R359-N361 VanDerWaalsContact C-N 3.35Å; R359-L362 PolarHBondContact O-N 3Å; R359-A363 PolarHBondContact O-N 3.44Å; R359-N747 PolarHBondContact NH1-OD1 3.02Å; R359-F750 WeakPolarHBondContact O-CD2 3.15Å; R359-L801 PolarHBondContact NH2-O 3.48Å; R359-L801 VanDerWaalsContact NH2-O 3.11Å
360	M	64.4	Low	57.1	Low	49 Å²	49	48.3 Å²	48.3	24%	0.241	31%	0.312	C	S	.	.	H	α-helix	trans	-66.9	-37.8	173.7	159	152	-171.7	0	0	111.2	S357 S364 R753	S357-M360 WeakPolarHBondContact O-CA 3.39Å; S357-M360 WeakPolarHBondContact O-CB 3.48Å; S357-M360 PolarHBondContact O-N 3.36Å; M360-S364 PolarHBondContact O-N 3.38Å; M360-S364 PolarHBondContact O-OG 2.85Å; M360-R753 PolarHBondContact SD-NH1 3.43Å
361	N	67.3	Low	58.5	Low	4 Å²	4	45.2 Å²	45.2	2%	0.021	28%	0.28	C	S	.	.	H	α-helix	trans	-66.7	-40.9	173.2	-62.1	-18.3	0	0	0	111.6	S357 R359 S364 S365 W388 K391 N392	S357-N361 PolarHBondContact O-N 3.22Å; S357-N361 VanDerWaalsContact O-N 3.1Å; R359-N361 VanDerWaalsContact C-N 3.35Å; N361-S364 WeakPolarHBondContact O-CB 3.45Å; N361-S364 PolarHBondContact O-N 3.19Å; N361-S365 PolarHBondContact O-N 3.4Å; N361-S365 PolarHBondContact O-OG 3.06Å; N361-W388 HydrophobicContact CB-CH2 4.07Å; N361-W388 HydrophobicContact CB-CZ2 3.71Å; N361-W388 WeakPolarHBondContact OD1-CH2 3.41Å; N361-K391 WeakPolarHBondContact ND2-CE 3.43Å; N361-N392 VanDerWaalsContact CB-OD1 3.31Å; N361-N392 WeakPolarHBondContact CB-OD1 3.1Å
362	L	63.2	Low	59.4	Low	11 Å²	11	39 Å²	39	6%	0.058	24%	0.237	C	C	.	.	H	α-helix	trans	-62.4	-44.6	175.5	-175.2	60.4	0	0	0	112.6	A358 R359 S364 S365 F366 F750	A358-L362 PolarHBondContact O-N 3.24Å; A358-L362 VanDerWaalsContact O-N 3.13Å; R359-L362 PolarHBondContact O-N 3Å; L362-S364 PolarHBondContact O-N 3.36Å; L362-S365 WeakPolarHBondContact CA-OG 3.06Å; L362-S365 PolarHBondContact O-N 3.06Å; L362-S365 PolarHBondContact O-OG 3.38Å; L362-F366 HydrophobicContact CD1-CD2 4.17Å; L362-F366 HydrophobicContact CD1-CE2 3.72Å; L362-F366 HydrophobicContact CD2-CE2 4.31Å; L362-F366 HydrophobicContact CG-CD2 4.05Å; L362-F366 HydrophobicContact CG-CE2 3.77Å; L362-F366 VanDerWaalsContact O-CD2 3.25Å; L362-F366 WeakPolarHBondContact O-CD2 3.19Å; L362-F366 PolarHBondContact O-N 3.13Å; L362-F366 VanDerWaalsContact O-N 3.1Å; L362-F750 HydrophobicContact CB-CE2 4.17Å; L362-F750 HydrophobicContact CD2-CE2 4.11Å; L362-F750 HydrophobicContact CD2-CZ 4.39Å; L362-F750 HydrophobicContact CG-CE2 3.94Å; L362-F750 HydrophobicContact CG-CZ 4.47Å
363	A	63	Low	60.8	Low	1 Å²	1	35.6 Å²	35.6	1%	0.008	20%	0.202	C	C	.	.	H	α-helix	trans	-58.4	-41.4	173.3	0	0	0	0	0	111	R359 S365 F366 V367 F750 R753	R359-A363 PolarHBondContact O-N 3.44Å; A363-S365 VanDerWaalsContact C-N 3.34Å; A363-S365 PolarHBondContact O-N 2.94Å; A363-F366 PolarHBondContact O-N 3.3Å; A363-V367 WeakPolarHBondContact O-CB 3.17Å; A363-V367 VanDerWaalsContact O-CG2 3.3Å; A363-V367 WeakPolarHBondContact O-CG2 3.35Å; A363-V367 PolarHBondContact O-N 2.96Å; A363-F750 HydrophobicContact CB-CD2 3.51Å; A363-F750 HydrophobicContact CB-CE2 3.87Å; A363-F750 HydrophobicContact CB-CG 4.41Å; A363-R753 HydrophobicContact CB-CB 4.08Å
364	S	69	Low	61.8	Low	19 Å²	19	31.2 Å²	31.2	13%	0.133	17%	0.172	C	C	.	.	H	α-helix	trans	-66	-36.2	-179.5	-53.5	0	0	0	0	111.8	M360 N361 L362 N368	M360-S364 PolarHBondContact O-N 3.38Å; M360-S364 PolarHBondContact O-OG 2.85Å; N361-S364 WeakPolarHBondContact O-CB 3.45Å; N361-S364 PolarHBondContact O-N 3.19Å; L362-S364 PolarHBondContact O-N 3.36Å; S364-N368 VanDerWaalsContact O-CB 3.24Å; S364-N368 WeakPolarHBondContact O-CB 3.28Å; S364-N368 PolarHBondContact O-N 3.41Å
365	S	68.9	Low	62.4	Low	1 Å²	1	24 Å²	24	1%	0.007	14%	0.138	C	C	.	.	H	α-helix	trans	-66	-40.6	171.8	41.3	0	0	0	0	113.3	N361 L362 A363 N368 G369	N361-S365 PolarHBondContact O-N 3.4Å; N361-S365 PolarHBondContact O-OG 3.06Å; L362-S365 WeakPolarHBondContact CA-OG 3.06Å; L362-S365 PolarHBondContact O-N 3.06Å; L362-S365 PolarHBondContact O-OG 3.38Å; A363-S365 VanDerWaalsContact C-N 3.34Å; A363-S365 PolarHBondContact O-N 2.94Å; S365-N368 PolarHBondContact O-N 3.47Å; S365-G369 PolarHBondContact O-N 2.98Å
366	F	66.4	Low	63.2	Low	0 Å²	0	20 Å²	20	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65.1	-46.8	174.8	-81.5	-67.7	0	0	0	111.8	L362 A363 N368 G369 F370 F750 L754 H805 L808 Y809	L362-F366 HydrophobicContact CD1-CD2 4.17Å; L362-F366 HydrophobicContact CD1-CE2 3.72Å; L362-F366 HydrophobicContact CD2-CE2 4.31Å; L362-F366 HydrophobicContact CG-CD2 4.05Å; L362-F366 HydrophobicContact CG-CE2 3.77Å; L362-F366 VanDerWaalsContact O-CD2 3.25Å; L362-F366 WeakPolarHBondContact O-CD2 3.19Å; L362-F366 PolarHBondContact O-N 3.13Å; L362-F366 VanDerWaalsContact O-N 3.1Å; A363-F366 PolarHBondContact O-N 3.3Å; F366-N368 VanDerWaalsContact C-N 3.28Å; F366-N368 PolarHBondContact O-N 2.8Å; F366-G369 PolarHBondContact O-N 3.15Å; F366-F370 HydrophobicContact CB-CD2 4.25Å; F366-F370 HydrophobicContact CB-CE2 4.01Å; F366-F370 AromaticContact CD1-CE2 3.93Å; F366-F370 HydrophobicContact CD1-CE2 3.93Å; F366-F370 HydrophobicContact CD1-CZ 4.35Å; F366-F370 HydrophobicContact CG-CE2 4.39Å; F366-F370 WeakPolarHBondContact O-CD2 3.39Å; F366-F370 WeakPolarHBondContact O-CG 3.14Å; F366-F370 PolarHBondContact O-N 3.08Å; F366-F750 HydrophobicContact CD2-CE2 4.29Å; F366-F750 HydrophobicContact CD2-CZ 4.09Å; F366-F750 HydrophobicContact CE2-CZ 4.19Å; F366-L754 HydrophobicContact CB-CD1 4.01Å; F366-L754 HydrophobicContact CG-CD1 4.33Å; F366-H805 HydrophobicContact CE2-CB 4.05Å; F366-H805 HydrophobicContact CZ-CB 3.83Å; F366-H805 WeakPolarHBondContact CZ-O 3.4Å; F366-L808 HydrophobicContact CE1-CB 4.35Å; F366-L808 HydrophobicContact CE1-CD1 4.3Å; F366-L808 HydrophobicContact CZ-CD1 4.28Å; F366-Y809 AromaticContact CD1-CE1 3.89Å; F366-Y809 HydrophobicContact CD1-CE1 3.89Å; F366-Y809 AromaticContact CD1-CZ 3.86Å; F366-Y809 HydrophobicContact CE1-CD1 4.47Å; F366-Y809 AromaticContact CE1-CE1 3.63Å; F366-Y809 HydrophobicContact CE1-CE1 3.63Å; F366-Y809 AromaticContact CE1-CE2 3.82Å; F366-Y809 HydrophobicContact CE1-CE2 3.82Å; F366-Y809 AromaticContact CE1-CZ 3.31Å; F366-Y809 VanDerWaalsContact CE1-OH 3.27Å; F366-Y809 WeakPolarHBondContact CE1-OH 3.38Å; F366-Y809 HydrophobicContact CZ-CE2 4.38Å
367	V	68	Low	63.4	Low	0 Å²	0	24 Å²	24	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59.8	-42.9	178.1	171.2	0	0	0	0	110.6	P335 I338 Y339 A363 F370 V371 R753	P335-V367 HydrophobicContact CB-CG1 4Å; P335-V367 HydrophobicContact CG-CG1 4.34Å; I338-V367 HydrophobicContact CD1-CG1 4.43Å; Y339-V367 HydrophobicContact CE1-CG1 4.43Å; Y339-V367 HydrophobicContact CE1-CG2 4.4Å; Y339-V367 WeakPolarHBondContact OH-CG2 3.37Å; A363-V367 WeakPolarHBondContact O-CB 3.17Å; A363-V367 VanDerWaalsContact O-CG2 3.3Å; A363-V367 WeakPolarHBondContact O-CG2 3.35Å; A363-V367 PolarHBondContact O-N 2.96Å; V367-F370 PolarHBondContact O-N 3.34Å; V367-V371 HydrophobicContact CG1-CG2 4.05Å; V367-V371 VanDerWaalsContact O-CB 3.26Å; V367-V371 WeakPolarHBondContact O-CB 3.23Å; V367-V371 WeakPolarHBondContact O-CG2 3.49Å; V367-V371 PolarHBondContact O-N 3.42Å; V367-R753 HydrophobicContact CG2-CB 4.41Å; V367-R753 WeakPolarHBondContact CG2-O 3.3Å
368	N	69.1	Low	63.3	Low	4 Å²	4	22.2 Å²	22.2	2%	0.021	12%	0.123	C	C	.	.	H	α-helix	trans	-61.4	-47.4	176.7	-169.6	21.5	0	0	0	112.2	P335 S364 S365 F366 F370 V371 N372 D378 L381	P335-N368 HydrophobicContact CG-CB 3.9Å; S364-N368 VanDerWaalsContact O-CB 3.24Å; S364-N368 WeakPolarHBondContact O-CB 3.28Å; S364-N368 PolarHBondContact O-N 3.41Å; S365-N368 PolarHBondContact O-N 3.47Å; F366-N368 VanDerWaalsContact C-N 3.28Å; F366-N368 PolarHBondContact O-N 2.8Å; N368-F370 PolarHBondContact O-N 3.21Å; N368-V371 PolarHBondContact O-N 3.45Å; N368-N372 PolarHBondContact O-N 3.3Å; N368-N372 PolarHBondContact OD1-ND2 3.44Å; N368-D378 PolarHBondContact ND2-OD2 3.19Å; N368-D378 PolarHBondContact OD1-OD1 2.93Å; N368-D378 PolarHBondContact OD1-OD2 3.47Å; N368-L381 VanDerWaalsContact ND2-CD1 3.26Å; N368-L381 WeakPolarHBondContact ND2-CD1 3.48Å
369	G	65.9	Low	62.9	Low	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-62.6	-41	177.4	0	0	0	0	0	113.4	S365 F366 A373 M406	S365-G369 PolarHBondContact O-N 2.98Å; F366-G369 PolarHBondContact O-N 3.15Å; G369-A373 WeakPolarHBondContact O-CB 3.29Å; G369-A373 PolarHBondContact O-N 3.03Å; G369-M406 VanDerWaalsContact C-CE 3.4Å; G369-M406 VanDerWaalsContact CA-CE 3.49Å
370	F	68.1	Low	62.7	Low	2 Å²	2	23.9 Å²	23.9	1%	0.009	13%	0.125	C	C	.	.	H	α-helix	trans	-70.7	-37.7	178.8	-71.9	-52.6	0	0	0	112.6	F366 V367 N368 M406 L754 L758 L761 G762 L811	F366-F370 HydrophobicContact CB-CD2 4.25Å; F366-F370 HydrophobicContact CB-CE2 4.01Å; F366-F370 AromaticContact CD1-CE2 3.93Å; F366-F370 HydrophobicContact CD1-CE2 3.93Å; F366-F370 HydrophobicContact CD1-CZ 4.35Å; F366-F370 HydrophobicContact CG-CE2 4.39Å; F366-F370 WeakPolarHBondContact O-CD2 3.39Å; F366-F370 WeakPolarHBondContact O-CG 3.14Å; F366-F370 PolarHBondContact O-N 3.08Å; V367-F370 PolarHBondContact O-N 3.34Å; N368-F370 PolarHBondContact O-N 3.21Å; F370-M406 HydrophobicContact CD1-CE 4.05Å; F370-M406 HydrophobicContact CD1-SD 3.96Å; F370-M406 HydrophobicContact CE1-CE 4.1Å; F370-M406 HydrophobicContact CE1-SD 3.72Å; F370-M406 HydrophobicContact CG-CE 4.38Å; F370-M406 HydrophobicContact CZ-CE 4.45Å; F370-M406 HydrophobicContact CZ-SD 4.39Å; F370-L754 HydrophobicContact CD2-CD1 4.1Å; F370-L754 HydrophobicContact CE2-CD1 3.47Å; F370-L754 VanDerWaalsContact CE2-CD1 3.47Å; F370-L754 HydrophobicContact CZ-CD1 4.44Å; F370-L758 HydrophobicContact CD1-CD2 4.15Å; F370-L758 HydrophobicContact CD2-CD2 4.33Å; F370-L758 HydrophobicContact CE1-CD2 4.15Å; F370-L758 HydrophobicContact CE2-CD2 4.36Å; F370-L758 HydrophobicContact CG-CD2 4.25Å; F370-L758 HydrophobicContact CZ-CD2 4.27Å; F370-L761 HydrophobicContact CB-CD1 3.8Å; F370-L761 HydrophobicContact CD1-CD1 3.59Å; F370-L761 HydrophobicContact CG-CD1 4.08Å; F370-L761 WeakPolarHBondContact O-CA 3.47Å; F370-G762 PolarHBondContact O-N 3.46Å; F370-L811 HydrophobicContact CE1-CD2 4.45Å
371	V	66.5	Low	62.3	Low	2 Å²	2	21.9 Å²	21.9	1%	0.012	12%	0.115	C	C	.	.	H	α-helix	trans	-73.7	-41.5	-176.2	168.9	0	0	0	0	111.6	K333 I338 V367 N368 H760 K763	K333-V371 HydrophobicContact CB-CG1 4.05Å; I338-V371 HydrophobicContact CD1-CB 3.98Å; I338-V371 HydrophobicContact CD1-CG1 3.63Å; I338-V371 HydrophobicContact CD1-CG2 3.16Å; V367-V371 HydrophobicContact CG1-CG2 4.05Å; V367-V371 VanDerWaalsContact O-CB 3.26Å; V367-V371 WeakPolarHBondContact O-CB 3.23Å; V367-V371 WeakPolarHBondContact O-CG2 3.49Å; V367-V371 PolarHBondContact O-N 3.42Å; N368-V371 PolarHBondContact O-N 3.45Å; V371-H760 HydrophobicContact CG2-CB 4.18Å; V371-K763 HydrophobicContact CG1-CG 4.4Å; V371-K763 WeakPolarHBondContact O-CG 3.17Å; V371-K763 PolarHBondContact O-N 2.65Å
372	N	64.1	Low	61.7	Low	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	18.7	-176.5	-65.3	-42.9	0	0	0	112.8	K333 N368 G374 F375 I407 K763	K333-N372 PolarHBondContact O-ND2 3.47Å; N368-N372 PolarHBondContact O-N 3.3Å; N368-N372 PolarHBondContact OD1-ND2 3.44Å; N372-G374 PolarHBondContact O-N 3.17Å; N372-F375 PolarHBondContact O-N 3.16Å; N372-I407 HydrophobicContact CB-CG1 4.46Å; N372-K763 WeakPolarHBondContact OD1-CE 3.49Å
373	A	64	Low	61.3	Low	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	123.9	-180	0	0	0	0	0	112.1	G369 F375 M406 L766 M815	G369-A373 WeakPolarHBondContact O-CB 3.29Å; G369-A373 PolarHBondContact O-N 3.03Å; A373-F375 WeakPolarHBondContact O-CD2 3.4Å; A373-F375 PolarHBondContact O-N 2.7Å; A373-M406 WeakPolarHBondContact CA-O 3.21Å; A373-L766 HydrophobicContact CB-CD1 3.69Å; A373-M815 HydrophobicContact CB-CE 3.59Å
374	G	57.1	Low	60.8	Low	6 Å²	6	34.6 Å²	34.6	6%	0.062	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	6.9	177.7	0	0	0	0	0	116.5	F320 N372 M406 I407	F320-G374 WeakPolarHBondContact CD1-O 3.26Å; F320-G374 WeakPolarHBondContact CE1-O 3.46Å; N372-G374 PolarHBondContact O-N 3.17Å; G374-M406 PolarHBondContact N-O 3.25Å; G374-I407 PolarHBondContact N-O 3.46Å
375	F	58.5	Low	60	Low	18 Å²	18	33.9 Å²	33.9	8%	0.079	18%	0.18	C	C	.	.	S	Bend	trans	-98.6	-1.8	-179.1	-70.2	-86.6	0	0	0	114.2	F320 A324 I329 N372 A373 Q377 G762 K763 T765	F320-F375 HydrophobicContact CE1-CD1 4.5Å; F320-F375 HydrophobicContact CE1-CD2 4.38Å; F320-F375 HydrophobicContact CE1-CE1 4.27Å; F320-F375 HydrophobicContact CE1-CE2 4.11Å; F320-F375 HydrophobicContact CE1-CZ 4.07Å; F320-F375 HydrophobicContact CZ-CE2 4.01Å; F320-F375 AromaticContact CZ-CZ 3.92Å; F320-F375 HydrophobicContact CZ-CZ 3.92Å; A324-F375 HydrophobicContact CB-CD1 3.82Å; A324-F375 HydrophobicContact CB-CE1 3.47Å; A324-F375 VanDerWaalsContact CB-CE1 3.47Å; I329-F375 HydrophobicContact CG2-CE1 4.13Å; I329-F375 HydrophobicContact CG2-CZ 4.16Å; N372-F375 PolarHBondContact O-N 3.16Å; A373-F375 WeakPolarHBondContact O-CD2 3.4Å; A373-F375 PolarHBondContact O-N 2.7Å; F375-Q377 PolarHBondContact O-N 3.01Å; F375-G762 WeakPolarHBondContact CE2-O 3.22Å; F375-K763 HydrophobicContact CD2-CD 4.5Å; F375-K763 HydrophobicContact CE2-CD 4.21Å; F375-K763 HydrophobicContact CE2-CG 4.34Å; F375-K763 HydrophobicContact CZ-CD 4.22Å; F375-T765 HydrophobicContact CZ-CG2 4.2Å
376	G	56	Low	59.6	Low	31 Å²	31	38.3 Å²	38.3	32%	0.32	20%	0.204	S	C	.	.	S	Bend	trans	69.4	-8.9	166.9	0	0	0	0	0	117.4	I407	G376-I407 PolarHBondContact N-O 2.78Å
377	Q	54.1	Low	59.4	Low	150 Å²	150	45.7 Å²	45.7	70%	0.701	24%	0.236	S	C	*	.			trans	-140.4	137.6	175.3	-65.5	-173.4	1.6	0	0	112.2	F375	F375-Q377 PolarHBondContact O-N 3.01Å
378	D	56.6	Low	59.2	Low	8 Å²	8	48.5 Å²	48.5	4%	0.043	25%	0.247	C	C	.	.			trans	-135.1	156.4	170.9	176.7	36.6	0	0	0	110.4	N368 L380 L381 T382 I407	N368-D378 PolarHBondContact ND2-OD2 3.19Å; N368-D378 PolarHBondContact OD1-OD1 2.93Å; N368-D378 PolarHBondContact OD1-OD2 3.47Å; D378-L380 PolarHBondContact OD1-N 2.75Å; D378-L380 WeakPolarHBondContact OD2-CB 3.39Å; D378-L380 PolarHBondContact OD2-N 2.78Å; D378-L380 VanDerWaalsContact OD2-N 3.16Å; D378-L381 PolarHBondContact OD2-N 3.18Å; D378-T382 PolarHBondContact O-OG1 2.79Å; D378-I407 HydrophobicContact CB-CD1 4.18Å; D378-I407 HydrophobicContact CB-CG2 4.47Å
379	K	51.9	Low	59	Low	136 Å²	136	48.6 Å²	48.6	59%	0.591	25%	0.247	S	C	*	.	S	Bend	trans	-93.1	-19.6	176.7	-71.9	179.5	179	172	0	112.9	P332	P332-K379 HydrophobicContact CG-CD 4.15Å; P332-K379 HydrophobicContact CG-CG 3.99Å
380	L	54.3	Low	59.2	Low	60 Å²	60	54.1 Å²	54.1	31%	0.314	27%	0.269	S	S	.	.	S	Bend	trans	-93.9	-44.2	-173.5	-83.3	159.8	0	0	0	113.5	V334 P335 D378 G385	V334-L380 HydrophobicContact CG1-CD1 3.87Å; P335-L380 HydrophobicContact CG-CD1 4.03Å; D378-L380 PolarHBondContact OD1-N 2.75Å; D378-L380 WeakPolarHBondContact OD2-CB 3.39Å; D378-L380 PolarHBondContact OD2-N 2.78Å; D378-L380 VanDerWaalsContact OD2-N 3.16Å; L380-G385 PolarHBondContact O-N 3.28Å
381	L	56.4	Low	59.2	Low	6 Å²	6	58.4 Å²	58.4	3%	0.031	29%	0.288	C	S	.	.	S	Bend	trans	-94.1	-25.4	-172.6	-81.1	163.6	0	0	0	114.5	N368 D378 G385 S403 L404 I407	N368-L381 VanDerWaalsContact ND2-CD1 3.26Å; N368-L381 WeakPolarHBondContact ND2-CD1 3.48Å; D378-L381 PolarHBondContact OD2-N 3.18Å; L381-G385 WeakPolarHBondContact O-CA 3.33Å; L381-S403 WeakPolarHBondContact CD1-OG 3.25Å; L381-L404 HydrophobicContact CB-CD2 3.86Å; L381-I407 HydrophobicContact CB-CD1 4.41Å; L381-I407 HydrophobicContact CD1-CD1 3.6Å
382	T	54.5	Low	59.1	Low	59 Å²	59	58.5 Å²	58.5	36%	0.362	29%	0.288	S	S	.	.	S	Bend	trans	-91.1	-35	-177.6	17	0	0	0	0	113.6	D378	D378-T382 PolarHBondContact O-OG1 2.79Å
383	D	54.5	Low	59.3	Low	140 Å²	140	66.2 Å²	66.2	75%	0.749	32%	0.321	S	S	*	.	S	Bend	trans	-98	-34.7	-177.9	-73.5	-25.6	0	0	0	114
384	D	52.9	Low	59.7	Low	85 Å²	85	70.4 Å²	70.4	46%	0.455	34%	0.344	S	S	.	.	S	Bend	trans	-117.5	2.8	179.9	-121.1	-15.4	0	0	0	113.1	N386 K387 W388	D384-N386 VanDerWaalsContact C-N 3.31Å; D384-N386 PolarHBondContact O-N 3.45Å; D384-K387 PolarHBondContact O-N 3.02Å; D384-K387 VanDerWaalsContact O-N 3.11Å; D384-K387 IonicContact OD1-NZ 3.97Å; D384-K387 PolarHBondContact OD1-NZ 2.99Å; D384-W388 PolarHBondContact O-N 2.97Å
385	G	53.2	Low	60.2	Low	3 Å²	3	72.2 Å²	72.2	3%	0.031	35%	0.351	C	S	.	.	H	α-helix	trans	-66.7	-22.7	-167	0	0	0	0	0	115.6	L380 L381 K387 W388 L389	L380-G385 PolarHBondContact O-N 3.28Å; L381-G385 WeakPolarHBondContact O-CA 3.33Å; G385-K387 VanDerWaalsContact C-N 3.33Å; G385-K387 PolarHBondContact O-N 3.06Å; G385-W388 PolarHBondContact O-N 3.47Å; G385-L389 WeakPolarHBondContact O-CB 3.37Å; G385-L389 PolarHBondContact O-N 3.32Å
386	N	60	Low	60.5	Low	94 Å²	94	71.8 Å²	71.8	50%	0.503	35%	0.351	S	S	.	.	H	α-helix	trans	-64.7	-40.6	174.4	-122	-7.5	0	0	0	110.8	D384 Y390	D384-N386 VanDerWaalsContact C-N 3.31Å; D384-N386 PolarHBondContact O-N 3.45Å; N386-Y390 WeakPolarHBondContact O-CD2 3.43Å; N386-Y390 PolarHBondContact O-N 2.83Å
387	K	61.8	Low	61.2	Low	156 Å²	156	71.1 Å²	71.1	68%	0.678	34%	0.34	S	S	*	.	H	α-helix	trans	-72.3	-36	176.7	-61.2	178.4	-157.9	134.1	0	111.9	D384 G385 K391	D384-K387 PolarHBondContact O-N 3.02Å; D384-K387 VanDerWaalsContact O-N 3.11Å; D384-K387 IonicContact OD1-NZ 3.97Å; D384-K387 PolarHBondContact OD1-NZ 2.99Å; G385-K387 VanDerWaalsContact C-N 3.33Å; G385-K387 PolarHBondContact O-N 3.06Å; K387-K391 PolarHBondContact O-N 3.38Å
388	W	64.7	Low	62.1	Low	59 Å²	59	64.4 Å²	64.4	22%	0.223	31%	0.309	C	S	.	.	H	α-helix	trans	-72.1	-38.8	179.5	-170.7	-103.7	0	0	0	112.6	N361 D384 G385 K391	N361-W388 HydrophobicContact CB-CH2 4.07Å; N361-W388 HydrophobicContact CB-CZ2 3.71Å; N361-W388 WeakPolarHBondContact OD1-CH2 3.41Å; D384-W388 PolarHBondContact O-N 2.97Å; G385-W388 PolarHBondContact O-N 3.47Å; W388-K391 HydrophobicContact CE3-CD 4.04Å; W388-K391 HydrophobicContact CZ3-CD 3.99Å; W388-K391 WeakPolarHBondContact O-CB 3.44Å; W388-K391 PolarHBondContact O-N 3.03Å; W388-K391 VanDerWaalsContact O-N 3.14Å
389	L	65.1	Low	62.6	Low	5 Å²	5	64.1 Å²	64.1	3%	0.026	31%	0.307	C	S	.	.	H	α-helix	trans	-62.1	-47.3	176.6	-174.4	63.9	0	0	0	111.1	G385 K391 N392 M397 A400 A401 Y422 I430	G385-L389 WeakPolarHBondContact O-CB 3.37Å; G385-L389 PolarHBondContact O-N 3.32Å; L389-K391 PolarHBondContact O-N 3.33Å; L389-N392 PolarHBondContact O-N 3.37Å; L389-M397 HydrophobicContact CD1-CB 4.37Å; L389-M397 WeakPolarHBondContact CD1-O 3.35Å; L389-A400 HydrophobicContact CD1-CB 3.58Å; L389-A401 HydrophobicContact CD1-CB 4.4Å; L389-Y422 HydrophobicContact CD2-CD1 4.17Å; L389-I430 HydrophobicContact CD2-CD1 3.83Å; L389-I430 HydrophobicContact CD2-CG1 4.09Å; L389-I430 HydrophobicContact CD2-CG2 3.98Å; L389-I430 HydrophobicContact CG-CD1 4.15Å; L389-I430 HydrophobicContact CG-CG1 4.36Å
390	Y	68.8	Low	63.6	Low	116 Å²	116	57.7 Å²	57.7	46%	0.455	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-11.1	175.8	-67.8	-57	0	0	0	114.2	N386 N392 I430	N386-Y390 WeakPolarHBondContact O-CD2 3.43Å; N386-Y390 PolarHBondContact O-N 2.83Å; Y390-N392 VanDerWaalsContact C-N 3.35Å; Y390-I430 HydrophobicContact CD1-CD1 4.44Å; Y390-I430 HydrophobicContact CE1-CD1 3.87Å
391	K	68.4	Low	64.5	Low	93 Å²	93	54.9 Å²	54.9	40%	0.404	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-24.2	173.3	-164	-176.9	176.8	-166.5	0	111.4	D356 N361 K387 W388 L389	D356-K391 IonicContact OD2-NZ 3.49Å; D356-K391 PolarHBondContact OD2-NZ 3.32Å; N361-K391 WeakPolarHBondContact ND2-CE 3.43Å; K387-K391 PolarHBondContact O-N 3.38Å; W388-K391 HydrophobicContact CE3-CD 4.04Å; W388-K391 HydrophobicContact CZ3-CD 3.99Å; W388-K391 WeakPolarHBondContact O-CB 3.44Å; W388-K391 PolarHBondContact O-N 3.03Å; W388-K391 VanDerWaalsContact O-N 3.14Å; L389-K391 PolarHBondContact O-N 3.33Å
392	N	65.4	Low	65.2	Low	3 Å²	3	54.6 Å²	54.6	2%	0.016	26%	0.263	C	S	.	.	S	Bend	trans	-83.7	158.1	175.1	-67.8	-17.6	0	0	0	110.6	N361 L389 Y390 G396 M397	N361-N392 VanDerWaalsContact CB-OD1 3.31Å; N361-N392 WeakPolarHBondContact CB-OD1 3.1Å; L389-N392 PolarHBondContact O-N 3.37Å; Y390-N392 VanDerWaalsContact C-N 3.35Å; N392-G396 PolarHBondContact ND2-O 2.95Å; N392-M397 HydrophobicContact CB-CG 4.14Å; N392-M397 VanDerWaalsContact O-CE 3.28Å; N392-M397 WeakPolarHBondContact O-CE 3.41Å; N392-M397 VanDerWaalsContact O-CG 3.25Å; N392-M397 WeakPolarHBondContact O-CG 3.25Å
393	K	67.6	Low	66	Low	162 Å²	162	51.8 Å²	51.8	70%	0.704	25%	0.246	S	C	*	.			trans	-117.5	142	178.8	-69.9	-164	174.8	-169.2	0	111.9	H395 G396	K393-H395 PolarHBondContact O-N 3.4Å; K393-G396 PolarHBondContact O-N 3.26Å
394	D	72.6	Confident	66.8	Low	88 Å²	88	45.6 Å²	45.6	47%	0.471	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	48	-112.6	173.1	-47.4	-34.9	0	0	0	113.1	G396 M397 L398 Y429	D394-G396 PolarHBondContact O-N 3.39Å; D394-M397 WeakPolarHBondContact O-CB 3.48Å; D394-M397 PolarHBondContact O-N 3.34Å; D394-L398 PolarHBondContact O-N 3.25Å; D394-Y429 HydrophobicContact CB-CE2 4.23Å
395	H	67.5	Low	67.6	Low	45 Å²	45	41.6 Å²	41.6	21%	0.208	19%	0.191	C	C	.	.	H	α-helix	trans	-60.8	-24.2	179	-57.3	81.4	0	0	0	113.2	K393 M397 L398 S399 K803	K393-H395 PolarHBondContact O-N 3.4Å; H395-M397 VanDerWaalsContact C-N 3.3Å; H395-L398 PolarHBondContact O-N 3.35Å; H395-S399 PolarHBondContact O-N 2.76Å; H395-S399 PolarHBondContact O-OG 3.1Å; H395-K803 PolarHBondContact CD2-O 2.94Å
396	G	63.6	Low	68.3	Low	8 Å²	8	41.5 Å²	41.5	8%	0.082	19%	0.19	C	C	.	.	H	α-helix	trans	-71.2	-24.6	173.7	0	0	0	0	0	113.5	N392 K393 D394 A400	N392-G396 PolarHBondContact ND2-O 2.95Å; K393-G396 PolarHBondContact O-N 3.26Å; D394-G396 PolarHBondContact O-N 3.39Å; G396-A400 VanDerWaalsContact O-CB 3.29Å; G396-A400 WeakPolarHBondContact O-CB 3.15Å; G396-A400 PolarHBondContact O-N 2.93Å; G396-A400 VanDerWaalsContact O-N 3.11Å
397	M	72.3	Confident	69	Low	17 Å²	17	37.2 Å²	37.2	8%	0.084	17%	0.167	C	C	.	.	H	α-helix	trans	-76.5	-39.6	172	-57.8	-158.6	-124.3	0	0	110.9	L389 N392 D394 H395 A400 A401 E427 I430	L389-M397 HydrophobicContact CD1-CB 4.37Å; L389-M397 WeakPolarHBondContact CD1-O 3.35Å; N392-M397 HydrophobicContact CB-CG 4.14Å; N392-M397 VanDerWaalsContact O-CE 3.28Å; N392-M397 WeakPolarHBondContact O-CE 3.41Å; N392-M397 VanDerWaalsContact O-CG 3.25Å; N392-M397 WeakPolarHBondContact O-CG 3.25Å; D394-M397 WeakPolarHBondContact O-CB 3.48Å; D394-M397 PolarHBondContact O-N 3.34Å; H395-M397 VanDerWaalsContact C-N 3.3Å; M397-A400 PolarHBondContact O-N 3.33Å; M397-A401 WeakPolarHBondContact O-CB 3.14Å; M397-A401 PolarHBondContact O-N 3.24Å; M397-E427 WeakPolarHBondContact CE-OE2 3.35Å; M397-I430 HydrophobicContact CB-CG1 4.09Å; M397-I430 HydrophobicContact SD-CD1 4.31Å; M397-I430 HydrophobicContact SD-CG1 4.45Å
398	L	72.6	Confident	69.3	Low	10 Å²	10	30.3 Å²	30.3	5%	0.052	14%	0.138	C	C	.	.	H	α-helix	trans	-58.3	-50.6	172.2	-174.6	162.1	0	0	0	110.9	D394 H395 A400 A401 A402 Y429 L436 V466 Y806	D394-L398 PolarHBondContact O-N 3.25Å; H395-L398 PolarHBondContact O-N 3.35Å; L398-A400 PolarHBondContact O-N 3.43Å; L398-A401 PolarHBondContact O-N 3.4Å; L398-A402 WeakPolarHBondContact O-CB 3.35Å; L398-A402 PolarHBondContact O-N 3.28Å; L398-Y429 WeakPolarHBondContact CA-O 3.5Å; L398-Y429 HydrophobicContact CB-CD1 4.44Å; L398-Y429 HydrophobicContact CD1-CD1 4.46Å; L398-L436 HydrophobicContact CD2-CD2 4.49Å; L398-V466 HydrophobicContact CD1-CG1 3.71Å; L398-Y806 HydrophobicContact CD2-CD1 4.5Å; L398-Y806 HydrophobicContact CD2-CG 4.47Å
399	S	67.8	Low	69.5	Low	1 Å²	1	27.7 Å²	27.7	1%	0.007	13%	0.128	C	C	.	.	H	α-helix	trans	-65.5	-38.3	179.9	-64.7	0	0	0	0	113.1	H395 A402 S403 Y809	H395-S399 PolarHBondContact O-N 2.76Å; H395-S399 PolarHBondContact O-OG 3.1Å; S399-A402 PolarHBondContact O-N 2.84Å; S399-S403 PolarHBondContact O-N 3.34Å; S399-Y809 PolarHBondContact O-OH 2.67Å
400	A	71.9	Confident	69.6	Low	1 Å²	1	29 Å²	29	1%	0.008	13%	0.133	C	C	.	.	H	α-helix	trans	-66.9	-41.8	176.2	0	0	0	0	0	111.8	L389 G396 M397 L398 S403	L389-A400 HydrophobicContact CD1-CB 3.58Å; G396-A400 VanDerWaalsContact O-CB 3.29Å; G396-A400 WeakPolarHBondContact O-CB 3.15Å; G396-A400 PolarHBondContact O-N 2.93Å; G396-A400 VanDerWaalsContact O-N 3.11Å; M397-A400 PolarHBondContact O-N 3.33Å; L398-A400 PolarHBondContact O-N 3.43Å; A400-S403 PolarHBondContact O-N 3.39Å; A400-S403 PolarHBondContact O-OG 3.34Å
401	A	73.8	Confident	69.5	Low	1 Å²	1	25.5 Å²	25.5	1%	0.008	12%	0.122	C	C	.	.	H	α-helix	trans	-62.6	-41.2	172.8	0	0	0	0	0	112.2	L389 M397 L398 S403 L404	L389-A401 HydrophobicContact CD1-CB 4.4Å; M397-A401 WeakPolarHBondContact O-CB 3.14Å; M397-A401 PolarHBondContact O-N 3.24Å; L398-A401 PolarHBondContact O-N 3.4Å; A401-S403 VanDerWaalsContact C-N 3.3Å; A401-S403 PolarHBondContact O-N 3.21Å; A401-L404 VanDerWaalsContact O-CB 3.3Å; A401-L404 WeakPolarHBondContact O-CB 3.47Å; A401-L404 PolarHBondContact O-N 3.28Å
402	A	71.4	Confident	69.2	Low	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-65.8	-29.4	176.4	0	0	0	0	0	113.5	L398 S399 L404 G405 G433 L436 Y809	L398-A402 WeakPolarHBondContact O-CB 3.35Å; L398-A402 PolarHBondContact O-N 3.28Å; S399-A402 PolarHBondContact O-N 2.84Å; A402-L404 PolarHBondContact O-N 3.36Å; A402-G405 PolarHBondContact O-N 3.46Å; A402-G433 WeakPolarHBondContact CA-O 3.3Å; A402-L436 HydrophobicContact CB-CB 4.48Å; A402-L436 HydrophobicContact CB-CD2 3.86Å; A402-L436 HydrophobicContact CB-CG 4.28Å; A402-Y809 HydrophobicContact CB-CD2 3.77Å; A402-Y809 HydrophobicContact CB-CE2 3.3Å
403	S	70.4	Confident	69.2	Low	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-65	-22.9	175.3	70.8	0	0	0	0	113.6	L381 S399 A400 A401 G405 M406 I407 Y809	L381-S403 WeakPolarHBondContact CD1-OG 3.25Å; S399-S403 PolarHBondContact O-N 3.34Å; A400-S403 PolarHBondContact O-N 3.39Å; A400-S403 PolarHBondContact O-OG 3.34Å; A401-S403 VanDerWaalsContact C-N 3.3Å; A401-S403 PolarHBondContact O-N 3.21Å; S403-G405 VanDerWaalsContact C-N 3.29Å; S403-G405 PolarHBondContact O-N 3.27Å; S403-M406 PolarHBondContact O-N 2.8Å; S403-I407 WeakPolarHBondContact O-CG1 3.46Å; S403-I407 PolarHBondContact O-N 2.72Å; S403-Y809 WeakPolarHBondContact CB-OH 3.36Å; S403-Y809 PolarHBondContact N-OH 3.38Å
404	L	70.5	Confident	69.2	Low	11 Å²	11	21.3 Å²	21.3	6%	0.058	12%	0.119	C	C	.	.	H	α-helix	trans	-62	-39.6	170.1	-64.6	168.2	0	0	0	110.8	L381 A401 A402 M406 I407 L408 Y422	L381-L404 HydrophobicContact CB-CD2 3.86Å; A401-L404 VanDerWaalsContact O-CB 3.3Å; A401-L404 WeakPolarHBondContact O-CB 3.47Å; A401-L404 PolarHBondContact O-N 3.28Å; A402-L404 PolarHBondContact O-N 3.36Å; L404-M406 VanDerWaalsContact C-N 3.27Å; L404-M406 PolarHBondContact O-N 3.28Å; L404-I407 PolarHBondContact O-N 2.94Å; L404-I407 VanDerWaalsContact O-N 3.15Å; L404-L408 WeakPolarHBondContact O-CD1 3.37Å; L404-L408 PolarHBondContact O-N 3.25Å; L404-L408 VanDerWaalsContact O-N 3.1Å; L404-Y422 HydrophobicContact CD1-CD1 4.41Å; L404-Y422 HydrophobicContact CD1-CD2 3.56Å; L404-Y422 HydrophobicContact CD1-CE1 4.3Å; L404-Y422 HydrophobicContact CD1-CE2 3.44Å; L404-Y422 VanDerWaalsContact CD1-CE2 3.44Å; L404-Y422 HydrophobicContact CD1-CG 4.05Å
405	G	69.8	Low	69.1	Low	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60.7	-36.2	176.8	0	0	0	0	0	112.8	A402 S403 L408 L409 I440	A402-G405 PolarHBondContact O-N 3.46Å; S403-G405 VanDerWaalsContact C-N 3.29Å; S403-G405 PolarHBondContact O-N 3.27Å; G405-L408 CarbonylContact O-C 3.57Å; G405-L409 PolarHBondContact O-N 3.45Å; G405-L409 VanDerWaalsContact O-N 3.11Å; G405-I440 WeakPolarHBondContact O-CG2 3.21Å
406	M	69.4	Low	69.3	Low	1 Å²	1	16.1 Å²	16.1	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-70.9	-34.8	176	-65	-165	-52.3	0	0	112.9	G369 F370 A373 G374 S403 L404 L408 L409 I440 Y809 V812	G369-M406 VanDerWaalsContact C-CE 3.4Å; G369-M406 VanDerWaalsContact CA-CE 3.49Å; F370-M406 HydrophobicContact CD1-CE 4.05Å; F370-M406 HydrophobicContact CD1-SD 3.96Å; F370-M406 HydrophobicContact CE1-CE 4.1Å; F370-M406 HydrophobicContact CE1-SD 3.72Å; F370-M406 HydrophobicContact CG-CE 4.38Å; F370-M406 HydrophobicContact CZ-CE 4.45Å; F370-M406 HydrophobicContact CZ-SD 4.39Å; A373-M406 WeakPolarHBondContact CA-O 3.21Å; G374-M406 PolarHBondContact N-O 3.25Å; S403-M406 PolarHBondContact O-N 2.8Å; L404-M406 VanDerWaalsContact C-N 3.27Å; L404-M406 PolarHBondContact O-N 3.28Å; M406-L408 VanDerWaalsContact C-N 3.33Å; M406-L409 VanDerWaalsContact O-CB 3.24Å; M406-L409 WeakPolarHBondContact O-CB 3.22Å; M406-L409 PolarHBondContact O-N 2.74Å; M406-I440 HydrophobicContact CG-CG2 4.07Å; M406-Y809 HydrophobicContact CE-CD1 3.99Å; M406-Y809 HydrophobicContact CE-CE1 3.34Å; M406-Y809 HydrophobicContact CG-CD1 4.03Å; M406-Y809 HydrophobicContact CG-CE1 4.12Å; M406-Y809 HydrophobicContact SD-CD1 3.36Å; M406-Y809 WeakPolarHBondContact SD-CD1 3.21Å; M406-Y809 HydrophobicContact SD-CE1 3.39Å; M406-Y809 WeakPolarHBondContact SD-CE1 3.48Å; M406-V812 HydrophobicContact CG-CG2 4.01Å; M406-V812 HydrophobicContact SD-CG2 4.12Å
407	I	73.6	Confident	69.9	Low	4 Å²	4	19.3 Å²	19.3	2%	0.021	11%	0.11	C	C	.	.	H	α-helix	trans	-66.8	-40.6	178.2	-66.2	166.4	0	0	0	110.4	N372 G374 G376 D378 L381 S403 L404 L409	N372-I407 HydrophobicContact CB-CG1 4.46Å; G374-I407 PolarHBondContact N-O 3.46Å; G376-I407 PolarHBondContact N-O 2.78Å; D378-I407 HydrophobicContact CB-CD1 4.18Å; D378-I407 HydrophobicContact CB-CG2 4.47Å; L381-I407 HydrophobicContact CB-CD1 4.41Å; L381-I407 HydrophobicContact CD1-CD1 3.6Å; S403-I407 WeakPolarHBondContact O-CG1 3.46Å; S403-I407 PolarHBondContact O-N 2.72Å; L404-I407 PolarHBondContact O-N 2.94Å; L404-I407 VanDerWaalsContact O-N 3.15Å; I407-L409 VanDerWaalsContact C-N 3.29Å; I407-L409 PolarHBondContact O-N 3.15Å
408	L	69.4	Low	70	Confident	12 Å²	12	21.7 Å²	21.7	6%	0.063	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	25.7	178.3	-62.8	109.9	0	0	0	112.5	L404 G405 M406 W410 D411 Q418 V441	L404-L408 WeakPolarHBondContact O-CD1 3.37Å; L404-L408 PolarHBondContact O-N 3.25Å; L404-L408 VanDerWaalsContact O-N 3.1Å; G405-L408 CarbonylContact O-C 3.57Å; M406-L408 VanDerWaalsContact C-N 3.33Å; L408-W410 PolarHBondContact O-N 3.37Å; L408-D411 WeakPolarHBondContact O-CB 3.36Å; L408-D411 PolarHBondContact O-N 3.01Å; L408-D411 VanDerWaalsContact O-N 3.1Å; L408-Q418 HydrophobicContact CD2-CB 4.28Å; L408-Q418 HydrophobicContact CD2-CG 4.05Å; L408-V441 HydrophobicContact CB-CG2 4.2Å
409	L	66.9	Low	70.1	Confident	3 Å²	3	21.3 Å²	21.3	2%	0.016	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	133	179.6	-166.5	74.8	0	0	0	110.4	G405 M406 I407 D411 I440 V812 M815	G405-L409 PolarHBondContact O-N 3.45Å; G405-L409 VanDerWaalsContact O-N 3.11Å; M406-L409 VanDerWaalsContact O-CB 3.24Å; M406-L409 WeakPolarHBondContact O-CB 3.22Å; M406-L409 PolarHBondContact O-N 2.74Å; I407-L409 VanDerWaalsContact C-N 3.29Å; I407-L409 PolarHBondContact O-N 3.15Å; L409-D411 VanDerWaalsContact C-N 3.27Å; L409-D411 PolarHBondContact O-N 2.86Å; L409-I440 HydrophobicContact CD1-CG2 3.63Å; L409-I440 WeakPolarHBondContact CD1-O 3.45Å; L409-V812 HydrophobicContact CD1-CG1 3.5Å; L409-V812 VanDerWaalsContact CD1-CG1 3.5Å; L409-M815 HydrophobicContact CD2-CE 4.4Å
410	W	67.2	Low	70.5	Confident	34 Å²	34	23.6 Å²	23.6	13%	0.129	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	5.8	-177	-45.7	92.6	0	0	0	115.7	N313 L316 N317 L408 V441 S443 G444 V445	N313-W410 HydrophobicContact CB-CZ3 4.3Å; L316-W410 HydrophobicContact CD1-CE3 4.32Å; L316-W410 HydrophobicContact CD1-CZ3 4.23Å; L316-W410 HydrophobicContact CD2-CD2 4.1Å; L316-W410 HydrophobicContact CD2-CE3 4.2Å; L316-W410 HydrophobicContact CD2-CG 4.22Å; N317-W410 HydrophobicContact CB-CB 4.01Å; N317-W410 VanDerWaalsContact CB-O 3.28Å; N317-W410 WeakPolarHBondContact CB-O 3.47Å; N317-W410 VanDerWaalsContact ND2-C 3.31Å; N317-W410 PolarHBondContact ND2-O 3.13Å; L408-W410 PolarHBondContact O-N 3.37Å; W410-V441 PolarHBondContact N-O 3.26Å; W410-S443 VanDerWaalsContact CH2-O 3.26Å; W410-S443 WeakPolarHBondContact CH2-O 3.47Å; W410-S443 WeakPolarHBondContact CZ2-O 3.49Å; W410-S443 WeakPolarHBondContact CZ3-O 3.04Å; W410-G444 VanDerWaalsContact CZ3-CA 3.49Å; W410-G444 VanDerWaalsContact CZ3-O 3.26Å; W410-G444 WeakPolarHBondContact CZ3-O 3.44Å; W410-V445 HydrophobicContact CB-CG2 4.33Å; W410-V445 HydrophobicContact CD2-CG2 4.18Å; W410-V445 HydrophobicContact CE3-CG2 3.25Å; W410-V445 HydrophobicContact CZ3-CG2 3.86Å
411	D	67.8	Low	70.7	Confident	42 Å²	42	30 Å²	30	23%	0.225	16%	0.159	C	C	.	.			trans	-98.3	85.1	177.3	-171.5	10.8	0	0	0	112.7	N317 L408 L409 G414 G415 V441	N317-D411 WeakPolarHBondContact ND2-CA 3.49Å; N317-D411 VanDerWaalsContact ND2-CB 3.32Å; N317-D411 WeakPolarHBondContact ND2-CB 3.35Å; N317-D411 PolarHBondContact ND2-N 3.26Å; L408-D411 WeakPolarHBondContact O-CB 3.36Å; L408-D411 PolarHBondContact O-N 3.01Å; L408-D411 VanDerWaalsContact O-N 3.1Å; L409-D411 VanDerWaalsContact C-N 3.27Å; L409-D411 PolarHBondContact O-N 2.86Å; D411-G414 PolarHBondContact OD1-N 2.92Å; D411-G414 WeakPolarHBondContact OD2-CA 3.32Å; D411-G415 WeakPolarHBondContact O-CA 3.48Å; D411-G415 PolarHBondContact O-N 2.92Å; D411-G415 PolarHBondContact OD2-N 3.15Å; D411-V441 WeakPolarHBondContact O-CG1 3.48Å
412	V	62.8	Low	70.7	Confident	17 Å²	17	31.5 Å²	31.5	10%	0.103	17%	0.165	C	C	.	.	H	α-helix	trans	-69.6	-38.6	-175.5	-175.8	0	0	0	0	112.5	L416 V445 N447	V412-L416 WeakPolarHBondContact O-CD1 3.4Å; V412-L416 WeakPolarHBondContact O-CG 3.26Å; V412-V445 HydrophobicContact CG2-CB 3.92Å; V412-V445 HydrophobicContact CG2-CG1 3.55Å; V412-V445 HydrophobicContact CG2-CG2 4.39Å; V412-N447 HydrophobicContact CG1-CB 4.11Å
413	D	64.4	Low	70.7	Confident	126 Å²	126	32 Å²	32	67%	0.674	17%	0.167	S	C	*	.	H	α-helix	trans	-88.8	-41.7	-172.9	-64.9	-27.3	0	0	0	112.9
414	G	68	Low	71.1	Confident	27 Å²	27	41.1 Å²	41.1	28%	0.278	20%	0.203	S	C	.	.	H	α-helix	trans	-84.3	-36.7	179	0	0	0	0	0	112.8	D411 T417	D411-G414 PolarHBondContact OD1-N 2.92Å; D411-G414 WeakPolarHBondContact OD2-CA 3.32Å; G414-T417 PolarHBondContact O-OG1 3.2Å
415	G	69.8	Low	71.3	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-65.7	-45.3	-170.9	0	0	0	0	0	114.2	D411 T417 Q418 I419	D411-G415 WeakPolarHBondContact O-CA 3.48Å; D411-G415 PolarHBondContact O-N 2.92Å; D411-G415 PolarHBondContact OD2-N 3.15Å; G415-T417 VanDerWaalsContact C-N 3.33Å; G415-T417 PolarHBondContact O-N 3.4Å; G415-Q418 PolarHBondContact O-N 3.37Å; G415-Q418 VanDerWaalsContact O-N 3.17Å; G415-I419 WeakPolarHBondContact O-CG1 3.17Å; G415-I419 PolarHBondContact O-N 3.31Å; G415-I419 VanDerWaalsContact O-N 3.16Å
416	L	71.9	Confident	71.1	Confident	23 Å²	23	46.7 Å²	46.7	12%	0.12	24%	0.243	C	C	.	.	H	α-helix	trans	-61.3	-40.3	-178.6	-67.4	175.4	0	0	0	112.1	V412 Q418 I419 D420 C438 P451	V412-L416 WeakPolarHBondContact O-CD1 3.4Å; V412-L416 WeakPolarHBondContact O-CG 3.26Å; L416-Q418 PolarHBondContact O-N 3.25Å; L416-I419 PolarHBondContact O-N 3.43Å; L416-I419 VanDerWaalsContact O-N 3.12Å; L416-D420 PolarHBondContact O-N 3.45Å; L416-C438 HydrophobicContact CD2-CB 4.29Å; L416-P451 HydrophobicContact CD1-CB 3.76Å; L416-P451 HydrophobicContact CD1-CG 3.95Å
417	T	77.3	Confident	71.5	Confident	76 Å²	76	49.7 Å²	49.7	47%	0.466	26%	0.257	S	S	.	.	H	α-helix	trans	-63.8	-28.7	179.2	71.5	0	0	0	0	113.4	G414 G415	G414-T417 PolarHBondContact O-OG1 3.2Å; G415-T417 VanDerWaalsContact C-N 3.33Å; G415-T417 PolarHBondContact O-N 3.4Å
418	Q	72.4	Confident	71.8	Confident	67 Å²	67	52.9 Å²	52.9	31%	0.313	27%	0.274	S	S	.	.	H	α-helix	trans	-78.8	-37.8	176.1	-61.3	-63.5	-13.3	0	0	111	L408 G415 L416 Y422	L408-Q418 HydrophobicContact CD2-CB 4.28Å; L408-Q418 HydrophobicContact CD2-CG 4.05Å; G415-Q418 PolarHBondContact O-N 3.37Å; G415-Q418 VanDerWaalsContact O-N 3.17Å; L416-Q418 PolarHBondContact O-N 3.25Å; Q418-Y422 WeakPolarHBondContact O-CD2 3.19Å; Q418-Y422 WeakPolarHBondContact O-CE2 3.2Å
419	I	74.9	Confident	72.2	Confident	2 Å²	2	55.4 Å²	55.4	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-70.4	-36.9	178.5	-62.3	168.6	0	0	0	111.2	G415 L416 K421 Y422 L423 A434 A437 C438 V441	G415-I419 WeakPolarHBondContact O-CG1 3.17Å; G415-I419 PolarHBondContact O-N 3.31Å; G415-I419 VanDerWaalsContact O-N 3.16Å; L416-I419 PolarHBondContact O-N 3.43Å; L416-I419 VanDerWaalsContact O-N 3.12Å; I419-K421 PolarHBondContact O-N 2.74Å; I419-K421 VanDerWaalsContact O-N 3.15Å; I419-Y422 PolarHBondContact O-N 3.36Å; I419-L423 PolarHBondContact O-N 3.24Å; I419-L423 VanDerWaalsContact O-N 3.09Å; I419-A434 HydrophobicContact CG2-CB 3.8Å; I419-A434 WeakPolarHBondContact CG2-O 3.39Å; I419-A437 HydrophobicContact CD1-CB 3.83Å; I419-A437 HydrophobicContact CG1-CB 4.28Å; I419-A437 HydrophobicContact CG2-CB 4.31Å; I419-C438 WeakPolarHBondContact CG2-SG 3.38Å; I419-V441 HydrophobicContact CD1-CB 4.46Å; I419-V441 HydrophobicContact CD1-CG2 3.53Å
420	D	76.5	Confident	72.7	Confident	49 Å²	49	55.3 Å²	55.3	26%	0.262	28%	0.283	S	S	.	.	H	α-helix	trans	-54.1	-37.5	178.5	-82.4	-20	0	0	0	112.6	L416 Y422 L423 Y424	L416-D420 PolarHBondContact O-N 3.45Å; D420-Y422 PolarHBondContact O-N 3.2Å; D420-L423 WeakPolarHBondContact O-CB 3.43Å; D420-L423 PolarHBondContact O-N 3.01Å; D420-L423 VanDerWaalsContact O-N 3.12Å; D420-Y424 HydrophobicContact CB-CE2 4.45Å; D420-Y424 WeakPolarHBondContact O-CD2 3.28Å; D420-Y424 PolarHBondContact O-N 3.1Å
421	K	76.3	Confident	73.2	Confident	135 Å²	135	56.3 Å²	56.3	59%	0.587	29%	0.288	S	S	*	.	H	α-helix	trans	-59	-32.9	177.4	-63.3	172.2	-170.9	166.4	0	112.5	I419	I419-K421 PolarHBondContact O-N 2.74Å; I419-K421 VanDerWaalsContact O-N 3.15Å
422	Y	73.6	Confident	73.5	Confident	32 Å²	32	54.3 Å²	54.3	13%	0.125	28%	0.277	C	S	.	.	H	α-helix	trans	-88.4	-24.3	179.2	-58.6	-78.5	0	0	0	112.4	L389 L404 Q418 I419 D420 Y424 S425	L389-Y422 HydrophobicContact CD2-CD1 4.17Å; L404-Y422 HydrophobicContact CD1-CD1 4.41Å; L404-Y422 HydrophobicContact CD1-CD2 3.56Å; L404-Y422 HydrophobicContact CD1-CE1 4.3Å; L404-Y422 HydrophobicContact CD1-CE2 3.44Å; L404-Y422 VanDerWaalsContact CD1-CE2 3.44Å; L404-Y422 HydrophobicContact CD1-CG 4.05Å; Q418-Y422 WeakPolarHBondContact O-CD2 3.19Å; Q418-Y422 WeakPolarHBondContact O-CE2 3.2Å; I419-Y422 PolarHBondContact O-N 3.36Å; D420-Y422 PolarHBondContact O-N 3.2Å; Y422-Y424 VanDerWaalsContact C-N 3.3Å; Y422-Y424 PolarHBondContact O-N 3.24Å; Y422-S425 VanDerWaalsContact O-CB 3.3Å; Y422-S425 WeakPolarHBondContact O-CB 3.4Å; Y422-S425 PolarHBondContact O-N 3.12Å
423	L	72.3	Confident	74	Confident	10 Å²	10	53.5 Å²	53.5	5%	0.052	27%	0.272	C	S	.	.	H	α-helix	trans	-66.2	-30	177.7	-169	64.6	0	0	0	112.9	I419 D420 S425 K431 A434 L435	I419-L423 PolarHBondContact O-N 3.24Å; I419-L423 VanDerWaalsContact O-N 3.09Å; D420-L423 WeakPolarHBondContact O-CB 3.43Å; D420-L423 PolarHBondContact O-N 3.01Å; D420-L423 VanDerWaalsContact O-N 3.12Å; L423-S425 VanDerWaalsContact C-N 3.31Å; L423-S425 PolarHBondContact O-N 2.8Å; L423-K431 WeakPolarHBondContact O-CD 3.27Å; L423-K431 WeakPolarHBondContact O-CE 3.41Å; L423-K431 WeakPolarHBondContact O-CG 3.47Å; L423-A434 HydrophobicContact CB-CB 4.38Å; L423-A434 HydrophobicContact CD1-CB 4.13Å; L423-L435 HydrophobicContact CD1-CD2 3.77Å; L423-L435 HydrophobicContact CD1-CG 3.84Å
424	Y	77.8	Confident	74.6	Confident	192 Å²	192	47.5 Å²	47.5	75%	0.753	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.4	1.4	176.5	-63.7	-71.2	0	0	0	114.7	D420 Y422	D420-Y424 HydrophobicContact CB-CE2 4.45Å; D420-Y424 WeakPolarHBondContact O-CD2 3.28Å; D420-Y424 PolarHBondContact O-N 3.1Å; Y422-Y424 VanDerWaalsContact C-N 3.3Å; Y422-Y424 PolarHBondContact O-N 3.24Å
425	S	74.9	Confident	75	Confident	19 Å²	19	46.2 Å²	46.2	13%	0.133	23%	0.227	C	C	.	.	S	Bend	trans	-65.2	150.1	177.6	-172.6	0	0	0	0	112.2	Y422 L423 E427 K431	Y422-S425 VanDerWaalsContact O-CB 3.3Å; Y422-S425 WeakPolarHBondContact O-CB 3.4Å; Y422-S425 PolarHBondContact O-N 3.12Å; L423-S425 VanDerWaalsContact C-N 3.31Å; L423-S425 PolarHBondContact O-N 2.8Å; S425-E427 VanDerWaalsContact C-N 3.27Å; S425-E427 PolarHBondContact O-N 3.45Å; S425-K431 WeakPolarHBondContact O-CE 3.48Å
426	S	66	Low	75.2	Confident	109 Å²	109	46.4 Å²	46.4	76%	0.762	23%	0.228	S	C	*	.	S	Bend	trans	-73.4	-11.8	-175.8	53.8	0	0	0	0	115
427	E	78.8	Confident	75.3	Confident	64 Å²	64	45.3 Å²	45.3	30%	0.299	22%	0.222	S	C	.	.			trans	-94.2	128.9	-176.5	-67.8	-167.1	170.9	0	0	113.7	M397 S425 Y429 I430 K431	M397-E427 WeakPolarHBondContact CE-OE2 3.35Å; S425-E427 VanDerWaalsContact C-N 3.27Å; S425-E427 PolarHBondContact O-N 3.45Å; E427-Y429 VanDerWaalsContact C-N 3.28Å; E427-Y429 PolarHBondContact O-N 3.21Å; E427-I430 HydrophobicContact CB-CB 4.43Å; E427-I430 HydrophobicContact CB-CD1 4.09Å; E427-I430 HydrophobicContact CB-CG1 4.18Å; E427-I430 HydrophobicContact CG-CD1 4.49Å; E427-I430 PolarHBondContact O-N 3.06Å; E427-K431 PolarHBondContact O-N 3.18Å; E427-K431 VanDerWaalsContact O-N 3.13Å
428	D	78.9	Confident	75.1	Confident	72 Å²	72	41.7 Å²	41.7	39%	0.385	20%	0.2	S	C	.	.	H	α-helix	trans	-57	-36.8	179.5	-73.4	14.2	0	0	0	113.5	S432 S464 M467	D428-S432 WeakPolarHBondContact O-CB 3.23Å; D428-S432 PolarHBondContact O-N 2.91Å; D428-S432 PolarHBondContact O-OG 3.19Å; D428-S464 PolarHBondContact OD2-OG 3.32Å; D428-S464 VanDerWaalsContact OD2-OG 3.06Å; D428-M467 HydrophobicContact CB-CE 3.78Å; D428-M467 VanDerWaalsContact CG-CE 3.41Å; D428-M467 WeakPolarHBondContact OD1-CE 3.49Å
429	Y	76.9	Confident	75	Confident	64 Å²	64	38.5 Å²	38.5	25%	0.251	19%	0.185	S	C	.	.	H	α-helix	trans	-68.8	-38	179.4	-72.3	-74	0	0	0	112.8	D394 L398 E427 G433 V466	D394-Y429 HydrophobicContact CB-CE2 4.23Å; L398-Y429 WeakPolarHBondContact CA-O 3.5Å; L398-Y429 HydrophobicContact CB-CD1 4.44Å; L398-Y429 HydrophobicContact CD1-CD1 4.46Å; E427-Y429 VanDerWaalsContact C-N 3.28Å; E427-Y429 PolarHBondContact O-N 3.21Å; Y429-G433 PolarHBondContact O-N 3.09Å; Y429-V466 HydrophobicContact CD1-CG1 3.77Å; Y429-V466 HydrophobicContact CE1-CG1 3.89Å; Y429-V466 HydrophobicContact CE1-CG2 3.93Å
430	I	77.8	Confident	74.9	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-70.2	-44.6	178	-62.7	174.8	0	0	0	109.6	L389 Y390 M397 E427 S432 G433 A434	L389-I430 HydrophobicContact CD2-CD1 3.83Å; L389-I430 HydrophobicContact CD2-CG1 4.09Å; L389-I430 HydrophobicContact CD2-CG2 3.98Å; L389-I430 HydrophobicContact CG-CD1 4.15Å; L389-I430 HydrophobicContact CG-CG1 4.36Å; Y390-I430 HydrophobicContact CD1-CD1 4.44Å; Y390-I430 HydrophobicContact CE1-CD1 3.87Å; M397-I430 HydrophobicContact CB-CG1 4.09Å; M397-I430 HydrophobicContact SD-CD1 4.31Å; M397-I430 HydrophobicContact SD-CG1 4.45Å; E427-I430 HydrophobicContact CB-CB 4.43Å; E427-I430 HydrophobicContact CB-CD1 4.09Å; E427-I430 HydrophobicContact CB-CG1 4.18Å; E427-I430 HydrophobicContact CG-CD1 4.49Å; E427-I430 PolarHBondContact O-N 3.06Å; I430-S432 VanDerWaalsContact C-N 3.34Å; I430-S432 PolarHBondContact O-N 3.49Å; I430-G433 PolarHBondContact O-N 2.82Å; I430-A434 WeakPolarHBondContact O-CB 3.47Å; I430-A434 PolarHBondContact O-N 3.19Å
431	K	78.1	Confident	74.7	Confident	55 Å²	55	36.1 Å²	36.1	24%	0.239	17%	0.173	C	C	.	.	H	α-helix	trans	-58.9	-45.7	175	-64.2	-161.7	-173.9	-179.7	0	112	L423 S425 E427 G433 A434 L435 M467	L423-K431 WeakPolarHBondContact O-CD 3.27Å; L423-K431 WeakPolarHBondContact O-CE 3.41Å; L423-K431 WeakPolarHBondContact O-CG 3.47Å; S425-K431 WeakPolarHBondContact O-CE 3.48Å; E427-K431 PolarHBondContact O-N 3.18Å; E427-K431 VanDerWaalsContact O-N 3.13Å; K431-G433 VanDerWaalsContact C-N 3.32Å; K431-G433 PolarHBondContact O-N 3.1Å; K431-A434 PolarHBondContact O-N 2.65Å; K431-L435 WeakPolarHBondContact O-CG 3.4Å; K431-L435 PolarHBondContact O-N 3.19Å; K431-M467 HydrophobicContact CB-CE 4.15Å; K431-M467 HydrophobicContact CD-CE 3.85Å; K431-M467 HydrophobicContact CG-CE 4.45Å
432	S	73.7	Confident	74.3	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.5	-38.3	179.1	-52.6	0	0	0	0	112.1	D428 I430 L436 V466 M467	D428-S432 WeakPolarHBondContact O-CB 3.23Å; D428-S432 PolarHBondContact O-N 2.91Å; D428-S432 PolarHBondContact O-OG 3.19Å; I430-S432 VanDerWaalsContact C-N 3.34Å; I430-S432 PolarHBondContact O-N 3.49Å; S432-L436 PolarHBondContact O-N 3.13Å; S432-L436 VanDerWaalsContact O-N 3.1Å; S432-V466 WeakPolarHBondContact CB-O 3.46Å; S432-V466 PolarHBondContact OG-O 3.35Å; S432-M467 WeakPolarHBondContact OG-CA 3.47Å; S432-M467 WeakPolarHBondContact OG-CG 3.45Å; S432-M467 PolarHBondContact OG-N 2.95Å; S432-M467 VanDerWaalsContact OG-N 3.12Å
433	G	73.6	Confident	73.8	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-70.4	-33	174.8	0	0	0	0	0	113.4	A402 Y429 I430 K431 A437	A402-G433 WeakPolarHBondContact CA-O 3.3Å; Y429-G433 PolarHBondContact O-N 3.09Å; I430-G433 PolarHBondContact O-N 2.82Å; K431-G433 VanDerWaalsContact C-N 3.32Å; K431-G433 PolarHBondContact O-N 3.1Å; G433-A437 WeakPolarHBondContact O-CB 3.35Å; G433-A437 PolarHBondContact O-N 3.43Å
434	A	77.4	Confident	73.1	Confident	1 Å²	1	29.6 Å²	29.6	1%	0.008	15%	0.153	C	C	.	.	H	α-helix	trans	-68.3	-42.1	172.7	0	0	0	0	0	111.9	I419 L423 I430 K431 L436 A437 C438	I419-A434 HydrophobicContact CG2-CB 3.8Å; I419-A434 WeakPolarHBondContact CG2-O 3.39Å; L423-A434 HydrophobicContact CB-CB 4.38Å; L423-A434 HydrophobicContact CD1-CB 4.13Å; I430-A434 WeakPolarHBondContact O-CB 3.47Å; I430-A434 PolarHBondContact O-N 3.19Å; K431-A434 PolarHBondContact O-N 2.65Å; A434-L436 VanDerWaalsContact C-N 3.33Å; A434-L436 PolarHBondContact O-N 2.95Å; A434-A437 WeakPolarHBondContact O-CA 3.26Å; A434-A437 WeakPolarHBondContact O-CB 3.43Å; A434-A437 PolarHBondContact O-N 3.03Å; A434-A437 VanDerWaalsContact O-N 3.12Å; A434-C438 PolarHBondContact O-N 3.24Å; A434-C438 PolarHBondContact O-SG 3.21Å; A434-C438 VanDerWaalsContact O-SG 3.36Å
435	L	76.9	Confident	72.2	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-61.4	-41.9	174.2	-67.8	167.9	0	0	0	111.7	L423 K431 A437 C438 G439 L456 Y459	L423-L435 HydrophobicContact CD1-CD2 3.77Å; L423-L435 HydrophobicContact CD1-CG 3.84Å; K431-L435 WeakPolarHBondContact O-CG 3.4Å; K431-L435 PolarHBondContact O-N 3.19Å; L435-A437 VanDerWaalsContact C-N 3.34Å; L435-C438 PolarHBondContact O-N 2.97Å; L435-G439 PolarHBondContact O-N 3.11Å; L435-L456 HydrophobicContact CB-CD2 3.9Å; L435-L456 HydrophobicContact CD2-CD2 3.79Å; L435-L456 HydrophobicContact CG-CD2 4.43Å; L435-Y459 HydrophobicContact CD1-CD1 4.08Å; L435-Y459 HydrophobicContact CD1-CD2 3.91Å; L435-Y459 HydrophobicContact CD1-CG 3.65Å; L435-Y459 HydrophobicContact CD2-CD2 3.4Å; L435-Y459 HydrophobicContact CD2-CE2 3.71Å; L435-Y459 HydrophobicContact CD2-CG 4.05Å; L435-Y459 HydrophobicContact CG-CD2 4.32Å
436	L	73.4	Confident	71.3	Confident	3 Å²	3	22.8 Å²	22.8	2%	0.016	13%	0.125	C	C	.	.	H	α-helix	trans	-63.1	-41	172.8	-178.5	60.9	0	0	0	111.7	L398 A402 S432 A434 C438 G439 I440 F473 L477 Y809	L398-L436 HydrophobicContact CD2-CD2 4.49Å; A402-L436 HydrophobicContact CB-CB 4.48Å; A402-L436 HydrophobicContact CB-CD2 3.86Å; A402-L436 HydrophobicContact CB-CG 4.28Å; S432-L436 PolarHBondContact O-N 3.13Å; S432-L436 VanDerWaalsContact O-N 3.1Å; A434-L436 VanDerWaalsContact C-N 3.33Å; A434-L436 PolarHBondContact O-N 2.95Å; L436-C438 VanDerWaalsContact C-N 3.34Å; L436-C438 PolarHBondContact O-N 3.45Å; L436-G439 PolarHBondContact O-N 3.05Å; L436-I440 HydrophobicContact CG-CD1 4.03Å; L436-I440 WeakPolarHBondContact O-CG1 3.32Å; L436-I440 PolarHBondContact O-N 3.38Å; L436-F473 HydrophobicContact CD1-CB 4.22Å; L436-F473 HydrophobicContact CD1-CD1 3.38Å; L436-F473 HydrophobicContact CD1-CE1 4.13Å; L436-F473 HydrophobicContact CD1-CG 4.2Å; L436-F473 HydrophobicContact CD2-CD1 4.27Å; L436-F473 HydrophobicContact CG-CD1 4.48Å; L436-L477 HydrophobicContact CD1-CD1 3.99Å; L436-Y809 HydrophobicContact CD2-CD2 3.92Å
437	A	74.2	Confident	70.8	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-60.4	-40.9	175.5	0	0	0	0	0	112.1	I419 G433 A434 L435 G439 I440 V441	I419-A437 HydrophobicContact CD1-CB 3.83Å; I419-A437 HydrophobicContact CG1-CB 4.28Å; I419-A437 HydrophobicContact CG2-CB 4.31Å; G433-A437 WeakPolarHBondContact O-CB 3.35Å; G433-A437 PolarHBondContact O-N 3.43Å; A434-A437 WeakPolarHBondContact O-CA 3.26Å; A434-A437 WeakPolarHBondContact O-CB 3.43Å; A434-A437 PolarHBondContact O-N 3.03Å; A434-A437 VanDerWaalsContact O-N 3.12Å; L435-A437 VanDerWaalsContact C-N 3.34Å; A437-G439 VanDerWaalsContact C-N 3.28Å; A437-G439 PolarHBondContact O-N 2.97Å; A437-I440 PolarHBondContact O-N 3.12Å; A437-V441 WeakPolarHBondContact O-CG2 3.38Å; A437-V441 PolarHBondContact O-N 3.31Å
438	C	73.4	Confident	69.2	Low	1 Å²	1	24.4 Å²	24.4	1%	0.007	12%	0.122	C	C	.	.	H	α-helix	trans	-59.8	-39.4	175	-66.7	0	0	0	0	112	L416 I419 A434 L435 L436 N442	L416-C438 HydrophobicContact CD2-CB 4.29Å; I419-C438 WeakPolarHBondContact CG2-SG 3.38Å; A434-C438 PolarHBondContact O-N 3.24Å; A434-C438 PolarHBondContact O-SG 3.21Å; A434-C438 VanDerWaalsContact O-SG 3.36Å; L435-C438 PolarHBondContact O-N 2.97Å; L436-C438 VanDerWaalsContact C-N 3.34Å; L436-C438 PolarHBondContact O-N 3.45Å; C438-N442 PolarHBondContact O-N 2.73Å; C438-N442 PolarHBondContact O-ND2 2.82Å
439	G	70.3	Confident	67.9	Low	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-64.4	-42.3	174.3	0	0	0	0	0	112.9	L435 L436 A437 N442 S443 G474	L435-G439 PolarHBondContact O-N 3.11Å; L436-G439 PolarHBondContact O-N 3.05Å; A437-G439 VanDerWaalsContact C-N 3.28Å; A437-G439 PolarHBondContact O-N 2.97Å; G439-N442 CarbonylContact O-C 3.44Å; G439-N442 PolarHBondContact O-N 2.91Å; G439-S443 PolarHBondContact O-N 3.37Å; G439-S443 VanDerWaalsContact O-N 3.11Å; G439-S443 PolarHBondContact O-OG 3.49Å; G439-G474 VanDerWaalsContact CA-O 3.29Å; G439-G474 WeakPolarHBondContact CA-O 3.02Å
440	I	71.9	Confident	67	Low	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64.7	-44.5	177.7	-70	168	0	0	0	111.6	G405 M406 L409 L436 A437 N442 S443 L477 Y809 V812	G405-I440 WeakPolarHBondContact O-CG2 3.21Å; M406-I440 HydrophobicContact CG-CG2 4.07Å; L409-I440 HydrophobicContact CD1-CG2 3.63Å; L409-I440 WeakPolarHBondContact CD1-O 3.45Å; L436-I440 HydrophobicContact CG-CD1 4.03Å; L436-I440 WeakPolarHBondContact O-CG1 3.32Å; L436-I440 PolarHBondContact O-N 3.38Å; A437-I440 PolarHBondContact O-N 3.12Å; I440-N442 PolarHBondContact O-N 3.12Å; I440-S443 VanDerWaalsContact O-CB 3.3Å; I440-S443 WeakPolarHBondContact O-CB 3.5Å; I440-S443 PolarHBondContact O-N 2.76Å; I440-S443 VanDerWaalsContact O-N 3.07Å; I440-L477 HydrophobicContact CG1-CD1 4.27Å; I440-Y809 HydrophobicContact CD1-CD1 4.39Å; I440-Y809 HydrophobicContact CD1-CG 4.01Å; I440-V812 HydrophobicContact CG1-CG2 4.47Å; I440-V812 HydrophobicContact CG2-CG1 4.03Å; I440-V812 HydrophobicContact CG2-CG2 4.09Å
441	V	72.4	Confident	66	Low	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-59.2	-38.3	179.3	169.1	0	0	0	0	111.6	L408 W410 D411 I419 A437	L408-V441 HydrophobicContact CB-CG2 4.2Å; W410-V441 PolarHBondContact N-O 3.26Å; D411-V441 WeakPolarHBondContact O-CG1 3.48Å; I419-V441 HydrophobicContact CD1-CB 4.46Å; I419-V441 HydrophobicContact CD1-CG2 3.53Å; A437-V441 WeakPolarHBondContact O-CG2 3.38Å; A437-V441 PolarHBondContact O-N 3.31Å
442	N	69	Low	65.1	Low	7 Å²	7	22.9 Å²	22.9	4%	0.037	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	4.7	179.5	-65.8	-22.9	0	0	0	113.3	C438 G439 I440 G444 V445 A452 A478	C438-N442 PolarHBondContact O-N 2.73Å; C438-N442 PolarHBondContact O-ND2 2.82Å; G439-N442 CarbonylContact O-C 3.44Å; G439-N442 PolarHBondContact O-N 2.91Å; I440-N442 PolarHBondContact O-N 3.12Å; N442-G444 PolarHBondContact O-N 3.23Å; N442-G444 VanDerWaalsContact O-N 3.1Å; N442-V445 PolarHBondContact O-N 3.38Å; N442-V445 VanDerWaalsContact O-O 3.12Å; N442-A452 HydrophobicContact CB-CB 4.45Å; N442-A478 HydrophobicContact CB-CB 4.45Å
443	S	62.2	Low	64.5	Low	5 Å²	5	24.5 Å²	24.5	4%	0.035	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	114.8	175.2	-73.4	0	0	0	0	110	W410 G439 I440 L477	W410-S443 VanDerWaalsContact CH2-O 3.26Å; W410-S443 WeakPolarHBondContact CH2-O 3.47Å; W410-S443 WeakPolarHBondContact CZ2-O 3.49Å; W410-S443 WeakPolarHBondContact CZ3-O 3.04Å; G439-S443 PolarHBondContact O-N 3.37Å; G439-S443 VanDerWaalsContact O-N 3.11Å; G439-S443 PolarHBondContact O-OG 3.49Å; I440-S443 VanDerWaalsContact O-CB 3.3Å; I440-S443 WeakPolarHBondContact O-CB 3.5Å; I440-S443 PolarHBondContact O-N 2.76Å; I440-S443 VanDerWaalsContact O-N 3.07Å; S443-L477 PolarHBondContact OG-O 3.42Å; S443-L477 VanDerWaalsContact OG-O 3.05Å
444	G	57.8	Low	64	Low	28 Å²	28	27.4 Å²	27.4	29%	0.289	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	0.1	177.2	0	0	0	0	0	116.1	N313 W410 N442	N313-G444 PolarHBondContact ND2-O 3.39Å; N313-G444 VanDerWaalsContact ND2-O 3.15Å; W410-G444 VanDerWaalsContact CZ3-CA 3.49Å; W410-G444 VanDerWaalsContact CZ3-O 3.26Å; W410-G444 WeakPolarHBondContact CZ3-O 3.44Å; N442-G444 PolarHBondContact O-N 3.23Å; N442-G444 VanDerWaalsContact O-N 3.1Å
445	V	58.5	Low	63.5	Low	11 Å²	11	30 Å²	30	7%	0.067	18%	0.175	C	C	.	.			trans	-113.8	124.1	169.7	-171.6	0	0	0	0	109.3	S312 V314 W410 V412 N442	S312-V445 WeakPolarHBondContact O-CA 3.19Å; S312-V445 WeakPolarHBondContact O-CG1 3.12Å; V314-V445 HydrophobicContact CG2-CG1 4.16Å; W410-V445 HydrophobicContact CB-CG2 4.33Å; W410-V445 HydrophobicContact CD2-CG2 4.18Å; W410-V445 HydrophobicContact CE3-CG2 3.25Å; W410-V445 HydrophobicContact CZ3-CG2 3.86Å; V412-V445 HydrophobicContact CG2-CB 3.92Å; V412-V445 HydrophobicContact CG2-CG1 3.55Å; V412-V445 HydrophobicContact CG2-CG2 4.39Å; N442-V445 PolarHBondContact O-N 3.38Å; N442-V445 VanDerWaalsContact O-O 3.12Å
446	R	56.2	Low	63.1	Low	58 Å²	58	30 Å²	30	22%	0.219	18%	0.175	C	C	.	.			trans	-107.3	108.3	172.6	-171.9	170.9	176.5	-174.2	-10.9	109	S312	S312-R446 WeakPolarHBondContact CB-O 3.38Å; S312-R446 PolarHBondContact O-N 2.93Å; S312-R446 PolarHBondContact OG-O 3.17Å
447	N	55.7	Low	62.5	Low	52 Å²	52	31.8 Å²	31.8	28%	0.278	19%	0.188	S	C	.	.			trans	-95	140.5	170.1	-165.7	-15.2	0	0	0	109.1	V412 C449 D450	V412-N447 HydrophobicContact CG1-CB 4.11Å; N447-C449 PolarHBondContact O-N 3.31Å; N447-D450 PolarHBondContact O-N 3.16Å
448	E	44.7	Very low	62.3	Low	155 Å²	155	37.8 Å²	37.8	72%	0.724	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-22.8	178.3	-61.8	-179.3	166.3	0	0	112.8	D450	E448-D450 PolarHBondContact O-N 3.01Å
449	C	52.3	Low	61.9	Low	99 Å²	99	40.7 Å²	40.7	67%	0.669	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-2.6	177.3	-160.3	0	0	0	0	114.1	N447 P451	N447-C449 PolarHBondContact O-N 3.31Å; C449-P451 VanDerWaalsContact C-N 3.31Å; C449-P451 WeakPolarHBondContact O-CD 3.18Å
450	D	57.1	Low	61.6	Low	35 Å²	35	41.1 Å²	41.1	19%	0.187	23%	0.233	C	C	.	.			trans	38.8	48	176.4	-102.3	-27.9	0	0	0	114.8	N447 E448 A452 L453 A454 Y479 R484	N447-D450 PolarHBondContact O-N 3.16Å; E448-D450 PolarHBondContact O-N 3.01Å; D450-A452 PolarHBondContact O-N 3.16Å; D450-L453 HydrophobicContact CB-CB 4.36Å; D450-L453 PolarHBondContact O-N 3.11Å; D450-L453 VanDerWaalsContact O-N 3.15Å; D450-A454 PolarHBondContact O-N 3.08Å; D450-A454 VanDerWaalsContact O-N 3.1Å; D450-Y479 PolarHBondContact OD1-OH 3.37Å; D450-R484 IonicContact OD1-CZ 3.73Å; D450-R484 IonicContact OD1-NH1 2.95Å; D450-R484 IonicContact OD1-NH2 3.69Å; D450-R484 PolarHBondContact OD1-NH2 3.43Å; D450-R484 IonicContact OD2-CZ 2.99Å; D450-R484 IonicContact OD2-NH1 3.87Å; D450-R484 PolarHBondContact OD2-NH1 2.9Å; D450-R484 IonicContact OD2-NH2 2.64Å; D450-R484 PolarHBondContact OD2-NH2 3.07Å; D450-R484 VanDerWaalsContact OD2-NH2 3.12Å
451	P	56.8	Low	61.2	Low	22 Å²	22	47.2 Å²	47.2	14%	0.143	27%	0.266	C	S	.	.	H	α-helix	trans	-64.5	-28.7	-172.4	25.8	-34	0	0	0	112.4	L416 C449 L455	L416-P451 HydrophobicContact CD1-CB 3.76Å; L416-P451 HydrophobicContact CD1-CG 3.95Å; C449-P451 VanDerWaalsContact C-N 3.31Å; C449-P451 WeakPolarHBondContact O-CD 3.18Å; P451-L455 VanDerWaalsContact O-CB 3.25Å; P451-L455 WeakPolarHBondContact O-CB 3.3Å; P451-L455 WeakPolarHBondContact O-CD1 3.2Å; P451-L455 VanDerWaalsContact O-CG 3.28Å; P451-L455 WeakPolarHBondContact O-CG 3.24Å; P451-L455 PolarHBondContact O-N 3.1Å
452	A	59.2	Low	61.2	Low	3 Å²	3	50.9 Å²	50.9	3%	0.025	28%	0.283	C	S	.	.	H	α-helix	trans	-65.7	-46.6	175.5	0	0	0	0	0	111.6	N442 D450 L456 A478 Y479	N442-A452 HydrophobicContact CB-CB 4.45Å; D450-A452 PolarHBondContact O-N 3.16Å; A452-L456 HydrophobicContact CB-CD1 4.2Å; A452-L456 WeakPolarHBondContact O-CB 3.48Å; A452-L456 WeakPolarHBondContact O-CD1 3.1Å; A452-L456 WeakPolarHBondContact O-CG 3.26Å; A452-L456 PolarHBondContact O-N 3.05Å; A452-A478 HydrophobicContact CB-CB 4.09Å; A452-Y479 HydrophobicContact CB-CE2 4.2Å
453	L	62.2	Low	60.9	Low	34 Å²	34	56.8 Å²	56.8	18%	0.178	31%	0.314	C	S	.	.	H	α-helix	trans	-64.3	-47.8	177.7	-173.1	63.2	0	0	0	110.7	D450 L455 L456 S457 L475 Y479 V487 L490	D450-L453 HydrophobicContact CB-CB 4.36Å; D450-L453 PolarHBondContact O-N 3.11Å; D450-L453 VanDerWaalsContact O-N 3.15Å; L453-L455 PolarHBondContact O-N 3.47Å; L453-L456 PolarHBondContact O-N 3.02Å; L453-S457 WeakPolarHBondContact O-CB 3.44Å; L453-S457 PolarHBondContact O-N 3.16Å; L453-S457 PolarHBondContact O-OG 3.04Å; L453-L475 HydrophobicContact CD1-CD1 4.33Å; L453-Y479 HydrophobicContact CB-CE2 4.33Å; L453-Y479 WeakPolarHBondContact CB-OH 3.19Å; L453-Y479 PolarHBondContact N-OH 3.41Å; L453-V487 HydrophobicContact CD1-CG2 4.17Å; L453-L490 HydrophobicContact CD1-CD1 3.82Å
454	A	62.3	Low	61.4	Low	62 Å²	62	57.7 Å²	57.7	51%	0.512	32%	0.321	S	S	.	.	H	α-helix	trans	-64.9	-39.1	-176.9	0	0	0	0	0	113.5	D450 S457	D450-A454 PolarHBondContact O-N 3.08Å; D450-A454 VanDerWaalsContact O-N 3.1Å; A454-S457 PolarHBondContact O-OG 2.62Å
455	L	66	Low	62.1	Low	55 Å²	55	59.4 Å²	59.4	29%	0.288	32%	0.323	S	S	.	.	H	α-helix	trans	-80.3	-36.2	179.1	-69.8	168	0	0	0	112.1	P451 L453 Y459	P451-L455 VanDerWaalsContact O-CB 3.25Å; P451-L455 WeakPolarHBondContact O-CB 3.3Å; P451-L455 WeakPolarHBondContact O-CD1 3.2Å; P451-L455 VanDerWaalsContact O-CG 3.28Å; P451-L455 WeakPolarHBondContact O-CG 3.24Å; P451-L455 PolarHBondContact O-N 3.1Å; L453-L455 PolarHBondContact O-N 3.47Å; L455-Y459 WeakPolarHBondContact O-CD2 3.46Å; L455-Y459 WeakPolarHBondContact O-CE2 3.15Å
456	L	68.8	Low	62.8	Low	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-87.1	-26.2	-173.6	-56.9	170	0	0	0	112.5	L435 A452 L453 D458 Y459 V460 A471 L475	L435-L456 HydrophobicContact CB-CD2 3.9Å; L435-L456 HydrophobicContact CD2-CD2 3.79Å; L435-L456 HydrophobicContact CG-CD2 4.43Å; A452-L456 HydrophobicContact CB-CD1 4.2Å; A452-L456 WeakPolarHBondContact O-CB 3.48Å; A452-L456 WeakPolarHBondContact O-CD1 3.1Å; A452-L456 WeakPolarHBondContact O-CG 3.26Å; A452-L456 PolarHBondContact O-N 3.05Å; L453-L456 PolarHBondContact O-N 3.02Å; L456-D458 PolarHBondContact O-N 3.1Å; L456-Y459 PolarHBondContact O-N 3.28Å; L456-V460 PolarHBondContact O-N 3.15Å; L456-A471 HydrophobicContact CD2-CB 4.48Å; L456-L475 HydrophobicContact CB-CB 4.43Å; L456-L475 HydrophobicContact CB-CD1 4.33Å; L456-L475 HydrophobicContact CD1-CB 3.85Å
457	S	61	Low	63.7	Low	41 Å²	41	58 Å²	58	29%	0.287	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-33.3	178.8	59.6	0	0	0	0	113.1	L453 A454 Y459 V460	L453-S457 WeakPolarHBondContact O-CB 3.44Å; L453-S457 PolarHBondContact O-N 3.16Å; L453-S457 PolarHBondContact O-OG 3.04Å; A454-S457 PolarHBondContact O-OG 2.62Å; S457-Y459 VanDerWaalsContact C-N 3.29Å; S457-Y459 PolarHBondContact O-N 3.49Å; S457-V460 WeakPolarHBondContact O-CG2 3.45Å
458	D	69.7	Low	64.6	Low	125 Å²	125	56.1 Å²	56.1	67%	0.668	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-22.7	-179.6	-72.6	-5.7	0	0	0	112.5	L456	L456-D458 PolarHBondContact O-N 3.1Å
459	Y	65.6	Low	66	Low	63 Å²	63	49.3 Å²	49.3	25%	0.247	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-13	-176.1	-61.8	-76.4	0	0	0	114.4	L435 L455 L456 S457 L461 H462	L435-Y459 HydrophobicContact CD1-CD1 4.08Å; L435-Y459 HydrophobicContact CD1-CD2 3.91Å; L435-Y459 HydrophobicContact CD1-CG 3.65Å; L435-Y459 HydrophobicContact CD2-CD2 3.4Å; L435-Y459 HydrophobicContact CD2-CE2 3.71Å; L435-Y459 HydrophobicContact CD2-CG 4.05Å; L435-Y459 HydrophobicContact CG-CD2 4.32Å; L455-Y459 WeakPolarHBondContact O-CD2 3.46Å; L455-Y459 WeakPolarHBondContact O-CE2 3.15Å; L456-Y459 PolarHBondContact O-N 3.28Å; S457-Y459 VanDerWaalsContact C-N 3.29Å; S457-Y459 PolarHBondContact O-N 3.49Å; Y459-L461 PolarHBondContact O-N 3.23Å; Y459-H462 PolarHBondContact O-N 3.36Å
460	V	63.3	Low	66.7	Low	8 Å²	8	44.9 Å²	44.9	5%	0.048	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-26.8	177.1	-69.8	0	0	0	0	113.1	L456 S457 R468 A471 I472 L475	L456-V460 PolarHBondContact O-N 3.15Å; S457-V460 WeakPolarHBondContact O-CG2 3.45Å; V460-R468 WeakPolarHBondContact O-CG 3.47Å; V460-A471 HydrophobicContact CG1-CB 4.26Å; V460-I472 HydrophobicContact CG1-CG1 4.21Å; V460-L475 HydrophobicContact CG1-CD1 4.5Å
461	L	64.3	Low	67.6	Low	129 Å²	129	43.2 Å²	43.2	68%	0.675	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.5	6.2	-179.5	-134.8	82.6	0	0	0	114	Y459	Y459-L461 PolarHBondContact O-N 3.23Å
462	H	71.5	Confident	68.6	Low	77 Å²	77	42.2 Å²	42.2	36%	0.356	23%	0.233	S	C	.	.			trans	-64.4	153.4	-174.5	-164.1	-101.8	0	0	0	112.2	Y459 S464 M467 R468	Y459-H462 PolarHBondContact O-N 3.36Å; H462-S464 VanDerWaalsContact C-N 3.27Å; H462-S464 PolarHBondContact ND1-N 2.97Å; H462-S464 PolarHBondContact O-N 3.11Å; H462-M467 VanDerWaalsContact CE1-SD 3.58Å; H462-M467 PolarHBondContact ND1-SD 2.91Å; H462-M467 VanDerWaalsContact ND1-SD 3.35Å; H462-R468 PolarHBondContact O-NE 3.16Å; H462-R468 PolarHBondContact O-NH2 3.2Å
463	N	63.6	Low	69.2	Low	130 Å²	130	42.1 Å²	42.1	70%	0.695	23%	0.232	S	C	*	.	S	Bend	trans	-73.5	-13.7	-176.3	-75.1	-48.3	0	0	0	114
464	S	73.3	Confident	69.7	Low	25 Å²	25	40.5 Å²	40.5	18%	0.175	22%	0.224	C	C	.	.			trans	-93.8	121.5	178.7	-173.9	0	0	0	0	110.2	D428 H462 V466 M467 R468	D428-S464 PolarHBondContact OD2-OG 3.32Å; D428-S464 VanDerWaalsContact OD2-OG 3.06Å; H462-S464 VanDerWaalsContact C-N 3.27Å; H462-S464 PolarHBondContact ND1-N 2.97Å; H462-S464 PolarHBondContact O-N 3.11Å; S464-V466 VanDerWaalsContact C-N 3.28Å; S464-V466 PolarHBondContact O-N 3.1Å; S464-M467 PolarHBondContact O-N 3.36Å; S464-R468 PolarHBondContact O-N 3.47Å
465	N	71	Confident	70.3	Confident	64 Å²	64	37.6 Å²	37.6	34%	0.342	20%	0.2	S	C	.	.	H	α-helix	trans	-61.8	-33.7	-175.3	-66.9	5.6	0	0	0	112.8	R468 I469 S501 V504	N465-R468 PolarHBondContact O-N 3.14Å; N465-I469 VanDerWaalsContact O-CG1 3.25Å; N465-I469 WeakPolarHBondContact O-CG1 3.46Å; N465-I469 PolarHBondContact O-N 3.45Å; N465-S501 WeakPolarHBondContact ND2-CB 3.4Å; N465-S501 PolarHBondContact ND2-OG 3.46Å; N465-V504 HydrophobicContact CB-CG2 4.33Å
466	V	73.8	Confident	70.5	Confident	33 Å²	33	35 Å²	35	20%	0.2	19%	0.186	C	C	.	.	H	α-helix	trans	-70.5	-39.5	-178.3	-172	0	0	0	0	111.3	L398 Y429 S432 S464 R468 I469 G470	L398-V466 HydrophobicContact CD1-CG1 3.71Å; Y429-V466 HydrophobicContact CD1-CG1 3.77Å; Y429-V466 HydrophobicContact CE1-CG1 3.89Å; Y429-V466 HydrophobicContact CE1-CG2 3.93Å; S432-V466 WeakPolarHBondContact CB-O 3.46Å; S432-V466 PolarHBondContact OG-O 3.35Å; S464-V466 VanDerWaalsContact C-N 3.28Å; S464-V466 PolarHBondContact O-N 3.1Å; V466-R468 VanDerWaalsContact C-N 3.34Å; V466-I469 PolarHBondContact O-N 3.32Å; V466-G470 PolarHBondContact O-N 2.89Å
467	M	75.3	Confident	70.5	Confident	5 Å²	5	35.1 Å²	35.1	3%	0.025	19%	0.187	C	C	.	.	H	α-helix	trans	-65.8	-40.8	175.7	-67.7	-176.9	-178.7	0	0	111.3	D428 K431 S432 H462 S464 G470 A471	D428-M467 HydrophobicContact CB-CE 3.78Å; D428-M467 VanDerWaalsContact CG-CE 3.41Å; D428-M467 WeakPolarHBondContact OD1-CE 3.49Å; K431-M467 HydrophobicContact CB-CE 4.15Å; K431-M467 HydrophobicContact CD-CE 3.85Å; K431-M467 HydrophobicContact CG-CE 4.45Å; S432-M467 WeakPolarHBondContact OG-CA 3.47Å; S432-M467 WeakPolarHBondContact OG-CG 3.45Å; S432-M467 PolarHBondContact OG-N 2.95Å; S432-M467 VanDerWaalsContact OG-N 3.12Å; H462-M467 VanDerWaalsContact CE1-SD 3.58Å; H462-M467 PolarHBondContact ND1-SD 2.91Å; H462-M467 VanDerWaalsContact ND1-SD 3.35Å; S464-M467 PolarHBondContact O-N 3.36Å; M467-G470 PolarHBondContact O-N 3.3Å; M467-A471 WeakPolarHBondContact O-CB 3.46Å; M467-A471 PolarHBondContact O-N 3.38Å
468	R	74.9	Confident	71	Confident	13 Å²	13	33.7 Å²	33.7	5%	0.049	18%	0.177	C	C	.	.	H	α-helix	trans	-60.2	-46.9	175.6	-175.1	179.4	-59.9	-167.8	-1.7	111.3	V460 H462 S464 N465 V466 A471 I472 V494 D497 S500 V504	V460-R468 WeakPolarHBondContact O-CG 3.47Å; H462-R468 PolarHBondContact O-NE 3.16Å; H462-R468 PolarHBondContact O-NH2 3.2Å; S464-R468 PolarHBondContact O-N 3.47Å; N465-R468 PolarHBondContact O-N 3.14Å; V466-R468 VanDerWaalsContact C-N 3.34Å; R468-A471 PolarHBondContact O-N 3.35Å; R468-I472 HydrophobicContact CG-CD1 3.53Å; R468-I472 HydrophobicContact CG-CG1 4.45Å; R468-I472 WeakPolarHBondContact O-CB 3.45Å; R468-I472 WeakPolarHBondContact O-CD1 3.47Å; R468-I472 WeakPolarHBondContact O-CG1 3.38Å; R468-I472 PolarHBondContact O-N 2.95Å; R468-V494 HydrophobicContact CG-CG1 4.46Å; R468-D497 IonicContact NH1-OD2 3.19Å; R468-S500 PolarHBondContact NH1-OG 2.68Å; R468-V504 VanDerWaalsContact CD-CG1 3.44Å; R468-V504 HydrophobicContact CG-CG1 3.93Å
469	I	73.2	Confident	71	Confident	13 Å²	13	28.3 Å²	28.3	7%	0.067	15%	0.148	C	C	.	.	H	α-helix	trans	-60.7	-46.7	176.6	-68.7	165.1	0	0	0	111	N465 V466 A471 F473 E503 V504 V507 Y806	N465-I469 VanDerWaalsContact O-CG1 3.25Å; N465-I469 WeakPolarHBondContact O-CG1 3.46Å; N465-I469 PolarHBondContact O-N 3.45Å; V466-I469 PolarHBondContact O-N 3.32Å; I469-A471 PolarHBondContact O-N 3.28Å; I469-F473 VanDerWaalsContact O-CB 3.28Å; I469-F473 WeakPolarHBondContact O-CB 2.96Å; I469-F473 PolarHBondContact O-N 2.98Å; I469-E503 HydrophobicContact CD1-CB 4.07Å; I469-V504 HydrophobicContact CD1-CG2 4.07Å; I469-V504 HydrophobicContact CG1-CB 4.45Å; I469-V504 HydrophobicContact CG1-CG2 3.71Å; I469-V507 HydrophobicContact CG2-CG1 4.38Å; I469-V507 HydrophobicContact CG2-CG2 4.3Å; I469-Y806 HydrophobicContact CG2-CE1 4.46Å; I469-Y806 HydrophobicContact CG2-CE2 4.02Å
470	G	68.1	Low	71	Confident	5 Å²	5	25.9 Å²	25.9	5%	0.052	14%	0.141	C	C	.	.	H	α-helix	trans	-63.1	-41.3	-179.7	0	0	0	0	0	113.3	V466 M467 G474	V466-G470 PolarHBondContact O-N 2.89Å; M467-G470 PolarHBondContact O-N 3.3Å; G470-G474 PolarHBondContact O-N 3.24Å
471	A	75.3	Confident	70.9	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-69.8	-45.2	179	0	0	0	0	0	112.6	L456 V460 M467 R468 I469 G474 L475	L456-A471 HydrophobicContact CD2-CB 4.48Å; V460-A471 HydrophobicContact CG1-CB 4.26Å; M467-A471 WeakPolarHBondContact O-CB 3.46Å; M467-A471 PolarHBondContact O-N 3.38Å; R468-A471 PolarHBondContact O-N 3.35Å; I469-A471 PolarHBondContact O-N 3.28Å; A471-G474 PolarHBondContact O-N 3.28Å; A471-L475 WeakPolarHBondContact O-CB 3.4Å; A471-L475 PolarHBondContact O-N 3.14Å
472	I	77.5	Confident	70.8	Confident	1 Å²	1	20.6 Å²	20.6	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-66.2	-44.3	-179.6	-67.7	166.3	0	0	0	111.1	V460 R468 L475 G476 L491 V494 V504 T508 A511	V460-I472 HydrophobicContact CG1-CG1 4.21Å; R468-I472 HydrophobicContact CG-CD1 3.53Å; R468-I472 HydrophobicContact CG-CG1 4.45Å; R468-I472 WeakPolarHBondContact O-CB 3.45Å; R468-I472 WeakPolarHBondContact O-CD1 3.47Å; R468-I472 WeakPolarHBondContact O-CG1 3.38Å; R468-I472 PolarHBondContact O-N 2.95Å; I472-L475 PolarHBondContact O-N 3.44Å; I472-G476 PolarHBondContact O-N 3.32Å; I472-L491 HydrophobicContact CB-CD2 4.4Å; I472-L491 HydrophobicContact CG1-CD2 4.05Å; I472-L491 HydrophobicContact CG2-CD2 4.03Å; I472-V494 HydrophobicContact CD1-CB 4.49Å; I472-V494 HydrophobicContact CD1-CG1 3.59Å; I472-V504 HydrophobicContact CD1-CG1 4.13Å; I472-T508 WeakPolarHBondContact CD1-OG1 3.37Å; I472-T508 HydrophobicContact CG2-CG2 4.34Å; I472-A511 HydrophobicContact CG2-CB 3.78Å
473	F	73.3	Confident	70.4	Confident	2 Å²	2	20.1 Å²	20.1	1%	0.009	12%	0.116	C	C	.	.	H	α-helix	trans	-69.2	-39.7	179.1	-166.1	-122.1	0	0	0	111.6	L436 I469 G476 L477 V507 L510 M514 Y806	L436-F473 HydrophobicContact CD1-CB 4.22Å; L436-F473 HydrophobicContact CD1-CD1 3.38Å; L436-F473 HydrophobicContact CD1-CE1 4.13Å; L436-F473 HydrophobicContact CD1-CG 4.2Å; L436-F473 HydrophobicContact CD2-CD1 4.27Å; L436-F473 HydrophobicContact CG-CD1 4.48Å; I469-F473 VanDerWaalsContact O-CB 3.28Å; I469-F473 WeakPolarHBondContact O-CB 2.96Å; I469-F473 PolarHBondContact O-N 2.98Å; F473-G476 PolarHBondContact O-N 3.4Å; F473-L477 HydrophobicContact CD1-CD1 3.87Å; F473-L477 HydrophobicContact CE1-CD1 3.56Å; F473-L477 HydrophobicContact CE1-CG 4.35Å; F473-L477 HydrophobicContact CG-CD1 4.45Å; F473-L477 HydrophobicContact CZ-CD1 3.95Å; F473-L477 HydrophobicContact CZ-CD2 4.44Å; F473-L477 HydrophobicContact CZ-CG 4.3Å; F473-L477 WeakPolarHBondContact O-CB 3.23Å; F473-L477 WeakPolarHBondContact O-CG 3.26Å; F473-L477 PolarHBondContact O-N 3.06Å; F473-V507 HydrophobicContact CB-CG1 3.79Å; F473-V507 HydrophobicContact CD2-CG1 3.94Å; F473-V507 HydrophobicContact CG-CG1 4.19Å; F473-L510 HydrophobicContact CE2-CD2 4.27Å; F473-M514 HydrophobicContact CE2-SD 4.49Å; F473-Y806 HydrophobicContact CD1-CD2 4.1Å; F473-Y806 HydrophobicContact CE1-CD2 4.31Å
474	G	71.9	Confident	70.4	Confident	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-61.9	-41.8	174	0	0	0	0	0	112.8	G439 G470 A471 L477 A478	G439-G474 VanDerWaalsContact CA-O 3.29Å; G439-G474 WeakPolarHBondContact CA-O 3.02Å; G470-G474 PolarHBondContact O-N 3.24Å; A471-G474 PolarHBondContact O-N 3.28Å; G474-L477 PolarHBondContact O-N 3.35Å; G474-A478 WeakPolarHBondContact O-CB 3.39Å; G474-A478 PolarHBondContact O-N 3.43Å
475	L	74.7	Confident	70	Confident	1 Å²	1	20.8 Å²	20.8	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-70.9	-37.3	178.1	-179.4	157.7	0	0	0	111.7	L453 L456 V460 A471 I472 L477 A478 Y479 V487 L491 I515	L453-L475 HydrophobicContact CD1-CD1 4.33Å; L456-L475 HydrophobicContact CB-CB 4.43Å; L456-L475 HydrophobicContact CB-CD1 4.33Å; L456-L475 HydrophobicContact CD1-CB 3.85Å; V460-L475 HydrophobicContact CG1-CD1 4.5Å; A471-L475 WeakPolarHBondContact O-CB 3.4Å; A471-L475 PolarHBondContact O-N 3.14Å; I472-L475 PolarHBondContact O-N 3.44Å; L475-L477 VanDerWaalsContact C-N 3.34Å; L475-L477 PolarHBondContact O-N 3.31Å; L475-A478 PolarHBondContact O-N 2.91Å; L475-Y479 HydrophobicContact CD2-CD2 4.32Å; L475-Y479 HydrophobicContact CG-CD2 4.05Å; L475-Y479 HydrophobicContact CG-CE2 4.34Å; L475-Y479 WeakPolarHBondContact O-CD2 3.2Å; L475-Y479 PolarHBondContact O-N 2.96Å; L475-Y479 VanDerWaalsContact O-N 3.11Å; L475-V487 HydrophobicContact CD1-CG1 4.32Å; L475-V487 HydrophobicContact CD2-CG1 3.16Å; L475-V487 HydrophobicContact CG-CG1 3.95Å; L475-L491 HydrophobicContact CD2-CD1 3.68Å; L475-L491 HydrophobicContact CD2-CD2 4.11Å; L475-L491 HydrophobicContact CD2-CG 4Å; L475-I515 HydrophobicContact CD2-CD1 3.98Å
476	G	70.8	Confident	69.8	Low	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-63.1	-35.3	171.2	0	0	0	0	0	113.9	I472 F473 A480	I472-G476 PolarHBondContact O-N 3.32Å; F473-G476 PolarHBondContact O-N 3.4Å; G476-A480 PolarHBondContact O-N 2.88Å
477	L	69.1	Low	69.7	Low	3 Å²	3	21.3 Å²	21.3	2%	0.016	11%	0.113	C	C	.	.	H	α-helix	trans	-77.9	-33.1	175.9	-74.3	171.3	0	0	0	113.4	L436 I440 S443 F473 G474 L475 M514 A813	L436-L477 HydrophobicContact CD1-CD1 3.99Å; I440-L477 HydrophobicContact CG1-CD1 4.27Å; S443-L477 PolarHBondContact OG-O 3.42Å; S443-L477 VanDerWaalsContact OG-O 3.05Å; F473-L477 HydrophobicContact CD1-CD1 3.87Å; F473-L477 HydrophobicContact CE1-CD1 3.56Å; F473-L477 HydrophobicContact CE1-CG 4.35Å; F473-L477 HydrophobicContact CG-CD1 4.45Å; F473-L477 HydrophobicContact CZ-CD1 3.95Å; F473-L477 HydrophobicContact CZ-CD2 4.44Å; F473-L477 HydrophobicContact CZ-CG 4.3Å; F473-L477 WeakPolarHBondContact O-CB 3.23Å; F473-L477 WeakPolarHBondContact O-CG 3.26Å; F473-L477 PolarHBondContact O-N 3.06Å; G474-L477 PolarHBondContact O-N 3.35Å; L475-L477 VanDerWaalsContact C-N 3.34Å; L475-L477 PolarHBondContact O-N 3.31Å; L477-M514 HydrophobicContact CD2-CE 3.52Å; L477-M514 HydrophobicContact CD2-SD 4.41Å; L477-A813 HydrophobicContact CD2-CB 4.18Å
478	A	70.8	Confident	69.5	Low	11 Å²	11	21.3 Å²	21.3	9%	0.091	11%	0.113	C	C	.	.	H	α-helix	trans	-70.6	-40.6	178	0	0	0	0	0	111.6	N442 A452 G474 L475	N442-A478 HydrophobicContact CB-CB 4.45Å; A452-A478 HydrophobicContact CB-CB 4.09Å; G474-A478 WeakPolarHBondContact O-CB 3.39Å; G474-A478 PolarHBondContact O-N 3.43Å; L475-A478 PolarHBondContact O-N 2.91Å
479	Y	69.6	Low	69.4	Low	11 Å²	11	23.8 Å²	23.8	4%	0.043	13%	0.132	C	C	.	.	S	Bend	trans	-105.2	23.3	-175.9	-62.6	-63.3	0	0	0	114	D450 A452 L453 L475 G481 S482 R484 V487	D450-Y479 PolarHBondContact OD1-OH 3.37Å; A452-Y479 HydrophobicContact CB-CE2 4.2Å; L453-Y479 HydrophobicContact CB-CE2 4.33Å; L453-Y479 WeakPolarHBondContact CB-OH 3.19Å; L453-Y479 PolarHBondContact N-OH 3.41Å; L475-Y479 HydrophobicContact CD2-CD2 4.32Å; L475-Y479 HydrophobicContact CG-CD2 4.05Å; L475-Y479 HydrophobicContact CG-CE2 4.34Å; L475-Y479 WeakPolarHBondContact O-CD2 3.2Å; L475-Y479 PolarHBondContact O-N 2.96Å; L475-Y479 VanDerWaalsContact O-N 3.11Å; Y479-G481 PolarHBondContact O-N 3.48Å; Y479-S482 PolarHBondContact O-N 3.49Å; Y479-R484 PolarHBondContact OH-NH2 3.18Å; Y479-R484 VanDerWaalsContact OH-NH2 3.12Å; Y479-V487 HydrophobicContact CD2-CG1 3.88Å; Y479-V487 HydrophobicContact CD2-CG2 4.12Å; Y479-V487 HydrophobicContact CE2-CG2 4.29Å; Y479-V487 HydrophobicContact CG-CG1 4.4Å; Y479-V487 HydrophobicContact CG-CG2 4.39Å
480	A	65.9	Low	69.4	Low	13 Å²	13	26.8 Å²	26.8	11%	0.107	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	124.7	177.7	0	0	0	0	0	110.6	G476 S482 M514 V781	G476-A480 PolarHBondContact O-N 2.88Å; A480-S482 VanDerWaalsContact C-N 3.3Å; A480-S482 PolarHBondContact O-N 2.96Å; A480-M514 CarbonylContact C-O 3.6Å; A480-M514 VanDerWaalsContact CA-O 3.22Å; A480-M514 WeakPolarHBondContact CA-O 3.31Å; A480-M514 HydrophobicContact CB-CB 4.46Å; A480-V781 HydrophobicContact CB-CG1 3.7Å
481	G	61.6	Low	69.7	Low	8 Å²	8	26.6 Å²	26.6	8%	0.082	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	-1.3	-178.8	0	0	0	0	0	116.5	Y479 N483 M514 I515	Y479-G481 PolarHBondContact O-N 3.48Å; G481-N483 VanDerWaalsContact C-N 3.35Å; G481-M514 PolarHBondContact N-O 3.38Å; G481-M514 VanDerWaalsContact N-O 3.08Å; G481-I515 PolarHBondContact N-O 2.92Å
482	S	62.6	Low	69.6	Low	17 Å²	17	28 Å²	28	12%	0.119	15%	0.153	C	C	.	.			trans	-81	-11.3	-178.8	-54.9	0	0	0	0	114.5	Y479 A480 R484	Y479-S482 PolarHBondContact O-N 3.49Å; A480-S482 VanDerWaalsContact C-N 3.3Å; A480-S482 PolarHBondContact O-N 2.96Å; S482-R484 PolarHBondContact O-N 2.94Å
483	N	62.4	Low	69.4	Low	67 Å²	67	31.7 Å²	31.7	36%	0.358	18%	0.177	S	C	.	.			trans	46.2	37	179.6	-161.9	27.3	0	0	0	115.8	G481 I515 S519 N521	G481-N483 VanDerWaalsContact C-N 3.35Å; N483-I515 PolarHBondContact N-O 3Å; N483-S519 WeakPolarHBondContact ND2-CB 3.16Å; N483-S519 PolarHBondContact OD1-OG 3.25Å; N483-N521 PolarHBondContact OD1-ND2 2.97Å
484	R	64.1	Low	69.1	Low	32 Å²	32	31.8 Å²	31.8	12%	0.121	18%	0.178	C	C	.	.			trans	-82	121.3	178.9	-75.2	-151.4	-65.6	-179.1	-6.1	112.3	D450 Y479 S482 D486 V487 L488	D450-R484 IonicContact OD1-CZ 3.73Å; D450-R484 IonicContact OD1-NH1 2.95Å; D450-R484 IonicContact OD1-NH2 3.69Å; D450-R484 PolarHBondContact OD1-NH2 3.43Å; D450-R484 IonicContact OD2-CZ 2.99Å; D450-R484 IonicContact OD2-NH1 3.87Å; D450-R484 PolarHBondContact OD2-NH1 2.9Å; D450-R484 IonicContact OD2-NH2 2.64Å; D450-R484 PolarHBondContact OD2-NH2 3.07Å; D450-R484 VanDerWaalsContact OD2-NH2 3.12Å; Y479-R484 PolarHBondContact OH-NH2 3.18Å; Y479-R484 VanDerWaalsContact OH-NH2 3.12Å; S482-R484 PolarHBondContact O-N 2.94Å; R484-D486 PolarHBondContact O-N 3.42Å; R484-V487 HydrophobicContact CB-CB 4.35Å; R484-V487 HydrophobicContact CB-CG2 4.04Å; R484-V487 PolarHBondContact O-N 2.91Å; R484-L488 WeakPolarHBondContact O-CG 3.24Å; R484-L488 PolarHBondContact O-N 3.06Å
485	E	63.8	Low	68.8	Low	138 Å²	138	32.3 Å²	32.3	65%	0.645	18%	0.18	S	C	*	.	H	α-helix	trans	-67.4	-34.9	-179.9	-160.9	166.9	169.9	0	0	112.7	V487 L488 S489	E485-V487 VanDerWaalsContact C-N 3.34Å; E485-V487 PolarHBondContact O-N 3.13Å; E485-L488 PolarHBondContact O-N 3.29Å; E485-S489 WeakPolarHBondContact O-CB 3.47Å; E485-S489 PolarHBondContact O-N 3.32Å
486	D	67.8	Low	68.3	Low	108 Å²	108	35.2 Å²	35.2	58%	0.578	20%	0.198	S	C	*	.	H	α-helix	trans	-59.4	-44.5	176.9	-64.5	-21.5	0	0	0	112.1	R484 S489 L490	R484-D486 PolarHBondContact O-N 3.42Å; D486-S489 PolarHBondContact O-N 2.95Å; D486-S489 PolarHBondContact O-OG 3.33Å; D486-L490 WeakPolarHBondContact O-CG 3.41Å; D486-L490 PolarHBondContact O-N 3.08Å
487	V	71.5	Confident	68.2	Low	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-70.2	-39.6	179.5	-177.9	0	0	0	0	110.7	L453 L475 Y479 R484 E485 L490 L491 I515	L453-V487 HydrophobicContact CD1-CG2 4.17Å; L475-V487 HydrophobicContact CD1-CG1 4.32Å; L475-V487 HydrophobicContact CD2-CG1 3.16Å; L475-V487 HydrophobicContact CG-CG1 3.95Å; Y479-V487 HydrophobicContact CD2-CG1 3.88Å; Y479-V487 HydrophobicContact CD2-CG2 4.12Å; Y479-V487 HydrophobicContact CE2-CG2 4.29Å; Y479-V487 HydrophobicContact CG-CG1 4.4Å; Y479-V487 HydrophobicContact CG-CG2 4.39Å; R484-V487 HydrophobicContact CB-CB 4.35Å; R484-V487 HydrophobicContact CB-CG2 4.04Å; R484-V487 PolarHBondContact O-N 2.91Å; E485-V487 VanDerWaalsContact C-N 3.34Å; E485-V487 PolarHBondContact O-N 3.13Å; V487-L490 PolarHBondContact O-N 3.08Å; V487-L491 PolarHBondContact O-N 3.19Å; V487-I515 HydrophobicContact CG1-CD1 4.03Å
488	L	71.6	Confident	67.5	Low	5 Å²	5	44.2 Å²	44.2	3%	0.026	26%	0.256	C	S	.	.	H	α-helix	trans	-62.7	-46.1	173.7	-71.5	171.8	0	0	0	110.8	R484 E485 L490 L491 L492 C512 I515 A516 N521 V524	R484-L488 WeakPolarHBondContact O-CG 3.24Å; R484-L488 PolarHBondContact O-N 3.06Å; E485-L488 PolarHBondContact O-N 3.29Å; L488-L490 PolarHBondContact O-N 2.72Å; L488-L490 VanDerWaalsContact O-N 3.16Å; L488-L491 PolarHBondContact O-N 3.14Å; L488-L492 VanDerWaalsContact O-CG 3.23Å; L488-L492 WeakPolarHBondContact O-CG 3.46Å; L488-L492 PolarHBondContact O-N 2.97Å; L488-C512 HydrophobicContact CD2-CB 4.37Å; L488-I515 HydrophobicContact CD1-CG2 4.41Å; L488-I515 HydrophobicContact CD2-CB 4.02Å; L488-I515 HydrophobicContact CD2-CD1 4.45Å; L488-I515 HydrophobicContact CD2-CG2 3.76Å; L488-I515 HydrophobicContact CG-CG2 3.92Å; L488-A516 HydrophobicContact CD1-CB 4.47Å; L488-N521 WeakPolarHBondContact CD1-ND2 3.47Å; L488-V524 HydrophobicContact CD1-CG2 4.05Å; L488-V524 HydrophobicContact CD2-CG2 3.77Å; L488-V524 HydrophobicContact CG-CG2 4.43Å
489	S	71.8	Confident	66.9	Low	65 Å²	65	50.9 Å²	50.9	46%	0.455	28%	0.283	S	S	.	.	H	α-helix	trans	-60.8	-26.8	180	80.3	0	0	0	0	113.5	E485 D486 P493	E485-S489 WeakPolarHBondContact O-CB 3.47Å; E485-S489 PolarHBondContact O-N 3.32Å; D486-S489 PolarHBondContact O-N 2.95Å; D486-S489 PolarHBondContact O-OG 3.33Å; S489-P493 WeakPolarHBondContact O-CD 3.26Å; S489-P493 WeakPolarHBondContact O-CG 3.26Å
490	L	73.6	Confident	66.4	Low	76 Å²	76	51.4 Å²	51.4	40%	0.398	29%	0.288	S	S	.	.	H	α-helix	trans	-77.5	-32.3	173.3	-71.8	168.8	0	0	0	112.9	L453 D486 V487 L488	L453-L490 HydrophobicContact CD1-CD1 3.82Å; D486-L490 WeakPolarHBondContact O-CG 3.41Å; D486-L490 PolarHBondContact O-N 3.08Å; V487-L490 PolarHBondContact O-N 3.08Å; L488-L490 PolarHBondContact O-N 2.72Å; L488-L490 VanDerWaalsContact O-N 3.16Å
491	L	73.4	Confident	66.4	Low	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-85.2	-32	-179.7	-68	-178.5	0	0	0	113.5	I472 L475 V487 L488 V494 M495 T508 A511 I515	I472-L491 HydrophobicContact CB-CD2 4.4Å; I472-L491 HydrophobicContact CG1-CD2 4.05Å; I472-L491 HydrophobicContact CG2-CD2 4.03Å; L475-L491 HydrophobicContact CD2-CD1 3.68Å; L475-L491 HydrophobicContact CD2-CD2 4.11Å; L475-L491 HydrophobicContact CD2-CG 4Å; V487-L491 PolarHBondContact O-N 3.19Å; L488-L491 PolarHBondContact O-N 3.14Å; L491-V494 WeakPolarHBondContact O-CB 3.24Å; L491-V494 PolarHBondContact O-N 3.22Å; L491-M495 PolarHBondContact O-N 3.33Å; L491-T508 HydrophobicContact CB-CG2 4.47Å; L491-A511 HydrophobicContact CD1-CB 4.49Å; L491-I515 HydrophobicContact CD1-CD1 3.46Å; L491-I515 VanDerWaalsContact CD1-CD1 3.46Å
492	L	73.4	Confident	66.5	Low	30 Å²	30	53.2 Å²	53.2	16%	0.157	30%	0.296	C	S	.	.	H	α-helix	trans	-58	-43.3	-177.9	-67.2	169.2	0	0	0	113	L488 V494 M495 D523 V524 T527	L488-L492 VanDerWaalsContact O-CG 3.23Å; L488-L492 WeakPolarHBondContact O-CG 3.46Å; L488-L492 PolarHBondContact O-N 2.97Å; L492-V494 PolarHBondContact O-N 3.38Å; L492-M495 WeakPolarHBondContact O-CB 3.49Å; L492-M495 PolarHBondContact O-N 2.94Å; L492-M495 VanDerWaalsContact O-N 3.13Å; L492-D523 HydrophobicContact CD1-CB 4.36Å; L492-V524 HydrophobicContact CD2-CG2 4.43Å; L492-T527 HydrophobicContact CD2-CG2 3.84Å; L492-T527 WeakPolarHBondContact CD2-OG1 3.37Å
493	P	73.1	Confident	66.6	Low	79 Å²	79	54.8 Å²	54.8	51%	0.513	30%	0.302	S	S	.	.	H	α-helix	trans	-63.3	-29	175.5	-24.1	34.9	0	0	0	113.6	S489 M495 V496 D497	S489-P493 WeakPolarHBondContact O-CD 3.26Å; S489-P493 WeakPolarHBondContact O-CG 3.26Å; P493-M495 PolarHBondContact O-N 2.78Å; P493-V496 PolarHBondContact O-N 3.24Å; P493-D497 PolarHBondContact O-N 3.06Å
494	V	67.8	Low	67	Low	3 Å²	3	51.6 Å²	51.6	2%	0.018	29%	0.285	C	S	.	.	H	α-helix	trans	-70.7	-25	178.4	-173	0	0	0	0	111.6	R468 I472 L491 L492 S500 V504 T508	R468-V494 HydrophobicContact CG-CG1 4.46Å; I472-V494 HydrophobicContact CD1-CB 4.49Å; I472-V494 HydrophobicContact CD1-CG1 3.59Å; L491-V494 WeakPolarHBondContact O-CB 3.24Å; L491-V494 PolarHBondContact O-N 3.22Å; L492-V494 PolarHBondContact O-N 3.38Å; V494-S500 PolarHBondContact O-OG 2.95Å; V494-V504 HydrophobicContact CG1-CG1 4.25Å; V494-T508 HydrophobicContact CB-CG2 4.45Å
495	M	64.6	Low	67.3	Low	11 Å²	11	50.3 Å²	50.3	5%	0.054	28%	0.281	C	S	.	.	H	α-helix	trans	-70.8	-40.6	174.8	-163.1	76.3	-150.3	0	0	112.4	L491 L492 P493 A505 T508 A509 T531 L548	L491-M495 PolarHBondContact O-N 3.33Å; L492-M495 WeakPolarHBondContact O-CB 3.49Å; L492-M495 PolarHBondContact O-N 2.94Å; L492-M495 VanDerWaalsContact O-N 3.13Å; P493-M495 PolarHBondContact O-N 2.78Å; M495-A505 HydrophobicContact CE-CB 4.14Å; M495-A505 WeakPolarHBondContact CE-O 3.42Å; M495-T508 HydrophobicContact CB-CG2 4.31Å; M495-T508 HydrophobicContact SD-CG2 3.97Å; M495-A509 HydrophobicContact CE-CB 3.8Å; M495-A509 HydrophobicContact SD-CB 3.97Å; M495-T531 HydrophobicContact CE-CG2 3.6Å; M495-T531 HydrophobicContact CG-CG2 4.44Å; M495-T531 WeakPolarHBondContact CG-OG1 3.35Å; M495-L548 HydrophobicContact CE-CD2 3.19Å
496	V	65	Low	67.4	Low	63 Å²	63	43.8 Å²	43.8	38%	0.382	25%	0.25	S	S	.	.	H	α-helix	trans	-84.6	-19	-173.8	-177.7	0	0	0	0	112.2	P493 S498	P493-V496 PolarHBondContact O-N 3.24Å; V496-S498 PolarHBondContact O-N 3.34Å; V496-S498 VanDerWaalsContact O-N 3.08Å
497	D	69.2	Low	67.5	Low	66 Å²	66	38.7 Å²	38.7	35%	0.353	22%	0.223	S	C	.	.			trans	-64	110.9	179.9	-175.9	13.4	0	0	0	112.2	R468 P493 K499 S500	R468-D497 IonicContact NH1-OD2 3.19Å; P493-D497 PolarHBondContact O-N 3.06Å; D497-K499 PolarHBondContact O-N 3.05Å; D497-K499 VanDerWaalsContact OD1-CB 3.29Å; D497-K499 WeakPolarHBondContact OD1-CB 3.41Å; D497-K499 PolarHBondContact OD1-N 3.24Å; D497-S500 WeakPolarHBondContact O-CB 3.48Å; D497-S500 PolarHBondContact O-N 3.48Å; D497-S500 VanDerWaalsContact O-N 3.07Å; D497-S500 PolarHBondContact O-OG 3.33Å
498	S	54.8	Low	67.5	Low	125 Å²	125	38.7 Å²	38.7	87%	0.874	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-8	177.8	-41.5	0	0	0	0	113.9	V496	V496-S498 PolarHBondContact O-N 3.34Å; V496-S498 VanDerWaalsContact O-N 3.08Å
499	K	56.6	Low	67.5	Low	152 Å²	152	38.4 Å²	38.4	66%	0.661	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-12.2	174.7	-157.3	177.3	179.2	-171.8	0	112.8	D497	D497-K499 PolarHBondContact O-N 3.05Å; D497-K499 VanDerWaalsContact OD1-CB 3.29Å; D497-K499 WeakPolarHBondContact OD1-CB 3.41Å; D497-K499 PolarHBondContact OD1-N 3.24Å
500	S	60.5	Low	67.4	Low	21 Å²	21	35.4 Å²	35.4	15%	0.147	20%	0.201	C	C	.	.	S	Bend	trans	-76.3	133.8	179.9	-69.7	0	0	0	0	112.1	R468 V494 D497	R468-S500 PolarHBondContact NH1-OG 2.68Å; V494-S500 PolarHBondContact O-OG 2.95Å; D497-S500 WeakPolarHBondContact O-CB 3.48Å; D497-S500 PolarHBondContact O-N 3.48Å; D497-S500 VanDerWaalsContact O-N 3.07Å; D497-S500 PolarHBondContact O-OG 3.33Å
501	S	65.8	Low	67.4	Low	34 Å²	34	31.8 Å²	31.8	24%	0.238	18%	0.182	C	C	.	.			trans	-67.4	153.5	171.2	50.6	0	0	0	0	111.4	N465 E503 V504 A505	N465-S501 WeakPolarHBondContact ND2-CB 3.4Å; N465-S501 PolarHBondContact ND2-OG 3.46Å; S501-E503 PolarHBondContact O-N 3.09Å; S501-V504 WeakPolarHBondContact O-CA 3.09Å; S501-V504 WeakPolarHBondContact O-CB 3.3Å; S501-V504 PolarHBondContact O-N 3.39Å; S501-V504 WeakPolarHBondContact OG-CG2 3.46Å; S501-A505 PolarHBondContact O-N 3.06Å
502	M	63.4	Low	67.3	Low	25 Å²	25	31.9 Å²	31.9	12%	0.123	18%	0.183	C	C	.	.	H	α-helix	trans	-51.6	-34.5	-179.9	-171.9	58.7	68	0	0	113.6	V504 A505 G506 K535 E539 D542	M502-V504 PolarHBondContact O-N 3.22Å; M502-A505 PolarHBondContact O-N 3.18Å; M502-G506 PolarHBondContact O-N 3.5Å; M502-K535 HydrophobicContact CE-CD 4.09Å; M502-K535 HydrophobicContact SD-CD 4.42Å; M502-K535 PolarHBondContact SD-NZ 3.18Å; M502-E539 HydrophobicContact CE-CB 3.38Å; M502-E539 HydrophobicContact CE-CG 3.57Å; M502-D542 HydrophobicContact CG-CB 4.2Å
503	E	64.2	Low	67	Low	50 Å²	50	30.5 Å²	30.5	23%	0.234	18%	0.175	C	C	.	.	H	α-helix	trans	-63	-39.1	176.1	-38.8	-166	144.8	0	0	112.4	I469 S501 V507 Y544	I469-E503 HydrophobicContact CD1-CB 4.07Å; S501-E503 PolarHBondContact O-N 3.09Å; E503-V507 VanDerWaalsContact O-CG2 3.25Å; E503-V507 WeakPolarHBondContact O-CG2 3.27Å; E503-V507 PolarHBondContact O-N 3.17Å; E503-V507 VanDerWaalsContact O-N 3.1Å; E503-Y544 HydrophobicContact CB-CD1 3.98Å; E503-Y544 HydrophobicContact CB-CD2 4.45Å; E503-Y544 HydrophobicContact CB-CE1 3.73Å; E503-Y544 HydrophobicContact CB-CE2 4.22Å; E503-Y544 HydrophobicContact CB-CG 4.33Å; E503-Y544 HydrophobicContact CG-CD1 4.19Å; E503-Y544 HydrophobicContact CG-CD2 3.81Å; E503-Y544 HydrophobicContact CG-CE1 3.83Å; E503-Y544 HydrophobicContact CG-CE2 3.39Å; E503-Y544 HydrophobicContact CG-CG 4.18Å; E503-Y544 WeakPolarHBondContact OE1-CE2 3.45Å; E503-Y544 PolarHBondContact OE1-OH 3.34Å
504	V	71.9	Confident	66.8	Low	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-67.6	-51.3	177.2	173.9	0	0	0	0	108.9	N465 R468 I469 I472 V494 S501 M502 G506 V507 T508	N465-V504 HydrophobicContact CB-CG2 4.33Å; R468-V504 VanDerWaalsContact CD-CG1 3.44Å; R468-V504 HydrophobicContact CG-CG1 3.93Å; I469-V504 HydrophobicContact CD1-CG2 4.07Å; I469-V504 HydrophobicContact CG1-CB 4.45Å; I469-V504 HydrophobicContact CG1-CG2 3.71Å; I472-V504 HydrophobicContact CD1-CG1 4.13Å; V494-V504 HydrophobicContact CG1-CG1 4.25Å; S501-V504 WeakPolarHBondContact O-CA 3.09Å; S501-V504 WeakPolarHBondContact O-CB 3.3Å; S501-V504 PolarHBondContact O-N 3.39Å; S501-V504 WeakPolarHBondContact OG-CG2 3.46Å; M502-V504 PolarHBondContact O-N 3.22Å; V504-G506 VanDerWaalsContact C-N 3.31Å; V504-G506 PolarHBondContact O-N 3.05Å; V504-V507 PolarHBondContact O-N 3Å; V504-T508 WeakPolarHBondContact O-CB 3.09Å; V504-T508 PolarHBondContact O-N 3.46Å; V504-T508 PolarHBondContact O-OG1 3.48Å
505	A	68.9	Low	67	Low	6 Å²	6	26.7 Å²	26.7	5%	0.05	15%	0.15	C	C	.	.	H	α-helix	trans	-60.6	-40	-178.7	0	0	0	0	0	112.1	M495 S501 M502 A509	M495-A505 HydrophobicContact CE-CB 4.14Å; M495-A505 WeakPolarHBondContact CE-O 3.42Å; S501-A505 PolarHBondContact O-N 3.06Å; M502-A505 PolarHBondContact O-N 3.18Å; A505-A509 PolarHBondContact O-N 2.83Å; A505-A509 VanDerWaalsContact O-N 3.07Å
506	G	66.8	Low	66.9	Low	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.6	-44.3	175.4	0	0	0	0	0	112.9	M502 V504 L510 W547	M502-G506 PolarHBondContact O-N 3.5Å; V504-G506 VanDerWaalsContact C-N 3.31Å; V504-G506 PolarHBondContact O-N 3.05Å; G506-L510 PolarHBondContact O-N 3.31Å; G506-L510 VanDerWaalsContact O-N 3.15Å; G506-W547 WeakPolarHBondContact O-CB 3.47Å
507	V	69.8	Low	66.9	Low	1 Å²	1	23.5 Å²	23.5	1%	0.006	13%	0.132	C	C	.	.	H	α-helix	trans	-70.7	-35	178.2	175.4	0	0	0	0	111.8	I469 F473 E503 V504 L510 A511 W547 Y806	I469-V507 HydrophobicContact CG2-CG1 4.38Å; I469-V507 HydrophobicContact CG2-CG2 4.3Å; F473-V507 HydrophobicContact CB-CG1 3.79Å; F473-V507 HydrophobicContact CD2-CG1 3.94Å; F473-V507 HydrophobicContact CG-CG1 4.19Å; E503-V507 VanDerWaalsContact O-CG2 3.25Å; E503-V507 WeakPolarHBondContact O-CG2 3.27Å; E503-V507 PolarHBondContact O-N 3.17Å; E503-V507 VanDerWaalsContact O-N 3.1Å; V504-V507 PolarHBondContact O-N 3Å; V507-L510 WeakPolarHBondContact O-CB 3.5Å; V507-L510 PolarHBondContact O-N 3.44Å; V507-A511 WeakPolarHBondContact O-CB 3.32Å; V507-A511 PolarHBondContact O-N 3.16Å; V507-W547 HydrophobicContact CG2-CE3 3.78Å; V507-W547 HydrophobicContact CG2-CH2 4.33Å; V507-W547 HydrophobicContact CG2-CZ3 3.39Å; V507-Y806 HydrophobicContact CG2-CE2 4.35Å
508	T	72	Confident	66.4	Low	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.7	-45.8	174.9	-53.9	0	0	0	0	111.3	I472 L491 V494 M495 V504 L510 A511 C512	I472-T508 WeakPolarHBondContact CD1-OG1 3.37Å; I472-T508 HydrophobicContact CG2-CG2 4.34Å; L491-T508 HydrophobicContact CB-CG2 4.47Å; V494-T508 HydrophobicContact CB-CG2 4.45Å; M495-T508 HydrophobicContact CB-CG2 4.31Å; M495-T508 HydrophobicContact SD-CG2 3.97Å; V504-T508 WeakPolarHBondContact O-CB 3.09Å; V504-T508 PolarHBondContact O-N 3.46Å; V504-T508 PolarHBondContact O-OG1 3.48Å; T508-L510 VanDerWaalsContact C-N 3.26Å; T508-L510 PolarHBondContact O-N 2.95Å; T508-A511 PolarHBondContact O-N 3Å; T508-C512 WeakPolarHBondContact O-CB 3.44Å; T508-C512 PolarHBondContact O-N 3.29Å; T508-C512 PolarHBondContact O-SG 3.45Å
509	A	70.4	Confident	66.8	Low	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-61.2	-38	175.2	0	0	0	0	0	112.2	M495 A505 G513 I528 L548 G551	M495-A509 HydrophobicContact CE-CB 3.8Å; M495-A509 HydrophobicContact SD-CB 3.97Å; A505-A509 PolarHBondContact O-N 2.83Å; A505-A509 VanDerWaalsContact O-N 3.07Å; A509-G513 PolarHBondContact O-N 2.75Å; A509-I528 HydrophobicContact CB-CG1 4.48Å; A509-L548 HydrophobicContact CB-CD2 3.81Å; A509-G551 WeakPolarHBondContact O-CA 3.27Å
510	L	71.2	Confident	66.9	Low	1 Å²	1	10.5 Å²	10.5	1%	0.005	7%	0.065	C	C	.	.	H	α-helix	trans	-65.1	-47.2	175.2	-168.7	63.7	0	0	0	111.8	F473 G506 V507 T508 G513 M514 L550 L554 T788	F473-L510 HydrophobicContact CE2-CD2 4.27Å; G506-L510 PolarHBondContact O-N 3.31Å; G506-L510 VanDerWaalsContact O-N 3.15Å; V507-L510 WeakPolarHBondContact O-CB 3.5Å; V507-L510 PolarHBondContact O-N 3.44Å; T508-L510 VanDerWaalsContact C-N 3.26Å; T508-L510 PolarHBondContact O-N 2.95Å; L510-G513 CarbonylContact O-C 3.57Å; L510-G513 PolarHBondContact O-N 3.08Å; L510-M514 HydrophobicContact CG-SD 4.46Å; L510-M514 VanDerWaalsContact O-CG 3.29Å; L510-M514 WeakPolarHBondContact O-CG 3.29Å; L510-M514 PolarHBondContact O-N 3.18Å; L510-L550 HydrophobicContact CD1-CD2 3.69Å; L510-L550 HydrophobicContact CD1-CG 3.99Å; L510-L554 HydrophobicContact CD1-CD1 4.08Å; L510-T788 HydrophobicContact CD1-CG2 3.45Å; L510-T788 VanDerWaalsContact CD1-CG2 3.45Å; L510-T788 HydrophobicContact CD2-CG2 3.92Å; L510-T788 HydrophobicContact CG-CG2 3.83Å
511	A	72.5	Confident	67	Low	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-62.1	-45.8	178.3	0	0	0	0	0	111.7	I472 L491 V507 T508 G513 M514 I515	I472-A511 HydrophobicContact CG2-CB 3.78Å; L491-A511 HydrophobicContact CD1-CB 4.49Å; V507-A511 WeakPolarHBondContact O-CB 3.32Å; V507-A511 PolarHBondContact O-N 3.16Å; T508-A511 PolarHBondContact O-N 3Å; A511-G513 VanDerWaalsContact C-N 3.32Å; A511-G513 PolarHBondContact O-N 3.32Å; A511-M514 PolarHBondContact O-N 3.23Å; A511-I515 VanDerWaalsContact O-CG1 3.3Å; A511-I515 WeakPolarHBondContact O-CG1 3.44Å; A511-I515 PolarHBondContact O-N 2.96Å
512	C	71.3	Confident	66.9	Low	3 Å²	3	12.1 Å²	12.1	2%	0.02	8%	0.081	C	C	.	.	H	α-helix	trans	-61.4	-41.4	173.7	-65.9	0	0	0	0	111.6	L488 T508 M514 I515 A516 V524	L488-C512 HydrophobicContact CD2-CB 4.37Å; T508-C512 WeakPolarHBondContact O-CB 3.44Å; T508-C512 PolarHBondContact O-N 3.29Å; T508-C512 PolarHBondContact O-SG 3.45Å; C512-M514 VanDerWaalsContact C-N 3.32Å; C512-M514 PolarHBondContact O-N 3.12Å; C512-I515 PolarHBondContact O-N 2.88Å; C512-A516 WeakPolarHBondContact O-CB 3.25Å; C512-A516 PolarHBondContact O-N 3.27Å; C512-V524 HydrophobicContact CB-CG1 4.03Å
513	G	68	Low	67.1	Low	0 Å²	0	15.3 Å²	15.3	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-62.8	-35.8	174.8	0	0	0	0	0	113.2	A509 L510 A511 V517	A509-G513 PolarHBondContact O-N 2.75Å; L510-G513 CarbonylContact O-C 3.57Å; L510-G513 PolarHBondContact O-N 3.08Å; A511-G513 VanDerWaalsContact C-N 3.32Å; A511-G513 PolarHBondContact O-N 3.32Å; G513-V517 WeakPolarHBondContact O-CG2 3.25Å; G513-V517 PolarHBondContact O-N 3.37Å
514	M	68	Low	67.3	Low	1 Å²	1	13 Å²	13	1%	0.005	9%	0.088	C	C	.	.	H	α-helix	trans	-73.3	-30.8	175.2	-70.7	-178.5	74	0	0	113.2	F473 L477 A480 G481 L510 A511 C512 V517 L554 A784 T788 A813	F473-M514 HydrophobicContact CE2-SD 4.49Å; L477-M514 HydrophobicContact CD2-CE 3.52Å; L477-M514 HydrophobicContact CD2-SD 4.41Å; A480-M514 CarbonylContact C-O 3.6Å; A480-M514 VanDerWaalsContact CA-O 3.22Å; A480-M514 WeakPolarHBondContact CA-O 3.31Å; A480-M514 HydrophobicContact CB-CB 4.46Å; G481-M514 PolarHBondContact N-O 3.38Å; G481-M514 VanDerWaalsContact N-O 3.08Å; L510-M514 HydrophobicContact CG-SD 4.46Å; L510-M514 VanDerWaalsContact O-CG 3.29Å; L510-M514 WeakPolarHBondContact O-CG 3.29Å; L510-M514 PolarHBondContact O-N 3.18Å; A511-M514 PolarHBondContact O-N 3.23Å; C512-M514 VanDerWaalsContact C-N 3.32Å; C512-M514 PolarHBondContact O-N 3.12Å; M514-V517 VanDerWaalsContact O-CG2 3.31Å; M514-V517 WeakPolarHBondContact O-CG2 3.35Å; M514-L554 HydrophobicContact CG-CD1 4.28Å; M514-A784 HydrophobicContact CG-CB 4.46Å; M514-T788 HydrophobicContact CG-CG2 4.27Å; M514-T788 HydrophobicContact SD-CG2 3.78Å; M514-A813 HydrophobicContact CE-CB 3.95Å
515	I	71.2	Confident	67.1	Low	1 Å²	1	13.8 Å²	13.8	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-73.5	-40.9	175.6	-66.9	161.7	0	0	0	110.9	L475 G481 N483 V487 L488 L491 A511 C512	L475-I515 HydrophobicContact CD2-CD1 3.98Å; G481-I515 PolarHBondContact N-O 2.92Å; N483-I515 PolarHBondContact N-O 3Å; V487-I515 HydrophobicContact CG1-CD1 4.03Å; L488-I515 HydrophobicContact CD1-CG2 4.41Å; L488-I515 HydrophobicContact CD2-CB 4.02Å; L488-I515 HydrophobicContact CD2-CD1 4.45Å; L488-I515 HydrophobicContact CD2-CG2 3.76Å; L488-I515 HydrophobicContact CG-CG2 3.92Å; L491-I515 HydrophobicContact CD1-CD1 3.46Å; L491-I515 VanDerWaalsContact CD1-CD1 3.46Å; A511-I515 VanDerWaalsContact O-CG1 3.3Å; A511-I515 WeakPolarHBondContact O-CG1 3.44Å; A511-I515 PolarHBondContact O-N 2.96Å; C512-I515 PolarHBondContact O-N 2.88Å
516	A	63.2	Low	67.1	Low	0 Å²	0	16.3 Å²	16.3	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	-98.5	21	-173.2	0	0	0	0	0	114.3	L488 C512 G518 S519 V524 N555	L488-A516 HydrophobicContact CD1-CB 4.47Å; C512-A516 WeakPolarHBondContact O-CB 3.25Å; C512-A516 PolarHBondContact O-N 3.27Å; A516-G518 PolarHBondContact O-N 3.28Å; A516-S519 PolarHBondContact O-N 2.92Å; A516-S519 PolarHBondContact O-OG 2.93Å; A516-V524 HydrophobicContact CB-CG2 4.22Å; A516-N555 PolarHBondContact O-OD1 2.87Å
517	V	65.3	Low	67.3	Low	8 Å²	8	17.2 Å²	17.2	5%	0.048	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	126.1	-174.9	-169.3	0	0	0	0	111	G513 M514 S519 L554 L557 Q780 A784	G513-V517 WeakPolarHBondContact O-CG2 3.25Å; G513-V517 PolarHBondContact O-N 3.37Å; M514-V517 VanDerWaalsContact O-CG2 3.31Å; M514-V517 WeakPolarHBondContact O-CG2 3.35Å; V517-S519 PolarHBondContact O-N 3.33Å; V517-L554 WeakPolarHBondContact CA-O 3.39Å; V517-L554 WeakPolarHBondContact CG1-O 3.39Å; V517-L554 HydrophobicContact CG2-CB 4.49Å; V517-L557 HydrophobicContact CG1-CB 3.96Å; V517-L557 HydrophobicContact CG1-CD2 3.59Å; V517-L557 HydrophobicContact CG1-CG 4.42Å; V517-Q780 HydrophobicContact CB-CB 4.46Å; V517-Q780 HydrophobicContact CG1-CB 3.63Å; V517-Q780 PolarHBondContact O-OE1 3.21Å; V517-A784 HydrophobicContact CG2-CB 3.85Å
518	G	59.6	Low	67.3	Low	1 Å²	1	17.2 Å²	17.2	1%	0.01	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	-3.2	174.9	0	0	0	0	0	116.8	N263 A516 L554 N555 L557 K559	N263-G518 PolarHBondContact ND2-O 2.92Å; N263-G518 VanDerWaalsContact ND2-O 3.16Å; A516-G518 PolarHBondContact O-N 3.28Å; G518-L554 PolarHBondContact N-O 3.16Å; G518-N555 PolarHBondContact N-O 3.29Å; G518-L557 WeakPolarHBondContact CA-O 3.38Å; G518-K559 WeakPolarHBondContact O-CD 3.46Å; G518-K559 WeakPolarHBondContact O-CE 3.36Å; G518-K559 PolarHBondContact O-NZ 2.84Å
519	S	61.2	Low	67.2	Low	27 Å²	27	18 Å²	18	19%	0.189	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-25.5	176.9	63.9	0	0	0	0	112.9	N483 A516 V517	N483-S519 WeakPolarHBondContact ND2-CB 3.16Å; N483-S519 PolarHBondContact OD1-OG 3.25Å; A516-S519 PolarHBondContact O-N 2.92Å; A516-S519 PolarHBondContact O-OG 2.93Å; V517-S519 PolarHBondContact O-N 3.33Å
520	C	58.7	Low	67.2	Low	41 Å²	41	22.2 Å²	22.2	28%	0.277	14%	0.14	S	C	.	.			trans	58.3	46.6	-175.3	-169.3	0	0	0	0	112.8	G522 N555 H556 K559	C520-G522 PolarHBondContact O-N 3.18Å; C520-N555 PolarHBondContact N-O 3.06Å; C520-N555 PolarHBondContact N-OD1 3.49Å; C520-H556 PolarHBondContact SG-CE1 3.32Å; C520-H556 PolarHBondContact SG-ND1 2.98Å; C520-K559 HydrophobicContact CB-CD 4.34Å
521	N	63.8	Low	66.9	Low	41 Å²	41	22.4 Å²	22.4	22%	0.219	14%	0.141	C	C	.	.			trans	-67.3	120.9	175.7	-77.2	-6	0	0	0	111.3	N483 L488 D523 V524 T525 N555	N483-N521 PolarHBondContact OD1-ND2 2.97Å; L488-N521 WeakPolarHBondContact CD1-ND2 3.47Å; N521-D523 VanDerWaalsContact C-N 3.28Å; N521-D523 PolarHBondContact O-N 3.42Å; N521-V524 HydrophobicContact CB-CG2 4.27Å; N521-V524 PolarHBondContact O-N 3.06Å; N521-T525 PolarHBondContact O-N 3.15Å; N521-T525 PolarHBondContact O-OG1 3.15Å; N521-N555 PolarHBondContact N-OD1 3.1Å; N521-N555 PolarHBondContact O-ND2 3.48Å
522	G	64.1	Low	66.7	Low	49 Å²	49	22.8 Å²	22.8	51%	0.505	14%	0.143	S	C	.	.	H	α-helix	trans	-64	-28.7	-179.2	0	0	0	0	0	114	C520 S526	C520-G522 PolarHBondContact O-N 3.18Å; G522-S526 VanDerWaalsContact O-CB 3.23Å; G522-S526 WeakPolarHBondContact O-CB 3.08Å; G522-S526 PolarHBondContact O-N 3.23Å; G522-S526 PolarHBondContact O-OG 3.11Å
523	D	67.4	Low	66.3	Low	92 Å²	92	27.5 Å²	27.5	49%	0.492	17%	0.166	S	C	.	.	H	α-helix	trans	-72.7	-38.9	179.9	-62.5	-33.4	0	0	0	112.4	L492 N521 S526 T527	L492-D523 HydrophobicContact CD1-CB 4.36Å; N521-D523 VanDerWaalsContact C-N 3.28Å; N521-D523 PolarHBondContact O-N 3.42Å; D523-S526 WeakPolarHBondContact CA-OG 3.44Å; D523-S526 PolarHBondContact O-OG 3.49Å; D523-S526 VanDerWaalsContact O-OG 3.05Å; D523-T527 WeakPolarHBondContact O-CB 3.2Å; D523-T527 VanDerWaalsContact O-CG2 3.28Å; D523-T527 WeakPolarHBondContact O-CG2 3.04Å; D523-T527 PolarHBondContact O-N 3.38Å; D523-T527 PolarHBondContact O-OG1 3.17Å
524	V	67.7	Low	66.2	Low	1 Å²	1	33.2 Å²	33.2	1%	0.006	19%	0.193	C	C	.	.	H	α-helix	trans	-68.9	-42.7	174.7	179	0	0	0	0	110.2	L488 L492 C512 A516 N521 T527 I528	L488-V524 HydrophobicContact CD1-CG2 4.05Å; L488-V524 HydrophobicContact CD2-CG2 3.77Å; L488-V524 HydrophobicContact CG-CG2 4.43Å; L492-V524 HydrophobicContact CD2-CG2 4.43Å; C512-V524 HydrophobicContact CB-CG1 4.03Å; A516-V524 HydrophobicContact CB-CG2 4.22Å; N521-V524 HydrophobicContact CB-CG2 4.27Å; N521-V524 PolarHBondContact O-N 3.06Å; V524-T527 PolarHBondContact O-OG1 3.43Å; V524-I528 HydrophobicContact CG1-CD1 3.67Å; V524-I528 HydrophobicContact CG1-CG1 4.41Å; V524-I528 WeakPolarHBondContact O-CD1 3.28Å; V524-I528 WeakPolarHBondContact O-CG1 3.49Å; V524-I528 PolarHBondContact O-N 3.5Å
525	T	67.3	Low	66	Low	16 Å²	16	35.1 Å²	35.1	10%	0.098	20%	0.201	C	C	.	.	H	α-helix	trans	-65	-45.8	177.5	-62.9	0	0	0	0	111.9	N521 I528 V529 L552 N555 H556 T566	N521-T525 PolarHBondContact O-N 3.15Å; N521-T525 PolarHBondContact O-OG1 3.15Å; T525-I528 PolarHBondContact O-N 3.27Å; T525-V529 HydrophobicContact CG2-CG2 4.39Å; T525-V529 WeakPolarHBondContact O-CB 3.25Å; T525-V529 WeakPolarHBondContact O-CG2 3.46Å; T525-V529 PolarHBondContact O-N 2.69Å; T525-L552 HydrophobicContact CG2-CD2 3.85Å; T525-N555 PolarHBondContact OG1-ND2 3.19Å; T525-H556 WeakPolarHBondContact CG2-NE2 3.33Å; T525-H556 PolarHBondContact OG1-CE1 2.87Å; T525-H556 PolarHBondContact OG1-NE2 3.12Å; T525-T566 HydrophobicContact CG2-CG2 3.78Å
526	S	70.7	Confident	64.9	Low	59 Å²	59	37.8 Å²	37.8	41%	0.413	22%	0.219	S	C	.	.	H	α-helix	trans	-64.5	-42.6	-179.6	60.6	0	0	0	0	112.3	G522 D523 V529 Q530	G522-S526 VanDerWaalsContact O-CB 3.23Å; G522-S526 WeakPolarHBondContact O-CB 3.08Å; G522-S526 PolarHBondContact O-N 3.23Å; G522-S526 PolarHBondContact O-OG 3.11Å; D523-S526 WeakPolarHBondContact CA-OG 3.44Å; D523-S526 PolarHBondContact O-OG 3.49Å; D523-S526 VanDerWaalsContact O-OG 3.05Å; S526-V529 PolarHBondContact O-N 3.36Å; S526-Q530 VanDerWaalsContact O-CB 3.25Å; S526-Q530 WeakPolarHBondContact O-CB 3.39Å; S526-Q530 PolarHBondContact O-N 3.29Å
527	T	69.4	Low	64.2	Low	19 Å²	19	44.6 Å²	44.6	12%	0.117	25%	0.251	C	S	.	.	H	α-helix	trans	-68.3	-39	177.9	51.1	0	0	0	0	113	L492 D523 V524 T531	L492-T527 HydrophobicContact CD2-CG2 3.84Å; L492-T527 WeakPolarHBondContact CD2-OG1 3.37Å; D523-T527 WeakPolarHBondContact O-CB 3.2Å; D523-T527 VanDerWaalsContact O-CG2 3.28Å; D523-T527 WeakPolarHBondContact O-CG2 3.04Å; D523-T527 PolarHBondContact O-N 3.38Å; D523-T527 PolarHBondContact O-OG1 3.17Å; V524-T527 PolarHBondContact O-OG1 3.43Å; T527-T531 WeakPolarHBondContact O-CB 3.48Å; T527-T531 PolarHBondContact O-N 3.38Å; T527-T531 PolarHBondContact O-OG1 3.18Å
528	I	69.4	Low	63.4	Low	2 Å²	2	50.6 Å²	50.6	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-67.7	-42.6	175	-58.8	164.6	0	0	0	110.2	A509 V524 T525 T531 I532 L552	A509-I528 HydrophobicContact CB-CG1 4.48Å; V524-I528 HydrophobicContact CG1-CD1 3.67Å; V524-I528 HydrophobicContact CG1-CG1 4.41Å; V524-I528 WeakPolarHBondContact O-CD1 3.28Å; V524-I528 WeakPolarHBondContact O-CG1 3.49Å; V524-I528 PolarHBondContact O-N 3.5Å; T525-I528 PolarHBondContact O-N 3.27Å; I528-T531 PolarHBondContact O-N 3.48Å; I528-I532 HydrophobicContact CG2-CD1 3.99Å; I528-I532 HydrophobicContact CG2-CG1 4.46Å; I528-I532 VanDerWaalsContact O-CG1 3.28Å; I528-I532 WeakPolarHBondContact O-CG1 3.4Å; I528-I532 PolarHBondContact O-N 3.41Å; I528-L552 HydrophobicContact CB-CD1 4.13Å; I528-L552 HydrophobicContact CB-CD2 4.21Å; I528-L552 HydrophobicContact CB-CG 3.87Å; I528-L552 HydrophobicContact CD1-CG 4.11Å; I528-L552 HydrophobicContact CG2-CD1 3.44Å; I528-L552 VanDerWaalsContact CG2-CD1 3.44Å; I528-L552 HydrophobicContact CG2-CD2 4.38Å; I528-L552 HydrophobicContact CG2-CG 3.55Å
529	V	69.9	Low	63	Low	17 Å²	17	54.5 Å²	54.5	10%	0.103	30%	0.3	C	S	.	.	H	α-helix	trans	-62.5	-44.6	176.3	170.5	0	0	0	0	111.2	T525 S526 T531 I532 M533 L552 A569	T525-V529 HydrophobicContact CG2-CG2 4.39Å; T525-V529 WeakPolarHBondContact O-CB 3.25Å; T525-V529 WeakPolarHBondContact O-CG2 3.46Å; T525-V529 PolarHBondContact O-N 2.69Å; S526-V529 PolarHBondContact O-N 3.36Å; V529-T531 VanDerWaalsContact C-N 3.3Å; V529-T531 PolarHBondContact O-N 3.48Å; V529-I532 PolarHBondContact O-N 2.79Å; V529-I532 VanDerWaalsContact O-N 3.12Å; V529-M533 HydrophobicContact CG1-CE 3.73Å; V529-M533 HydrophobicContact CG1-CG 4.45Å; V529-M533 HydrophobicContact CG1-SD 4.2Å; V529-M533 WeakPolarHBondContact O-CG 3.42Å; V529-M533 PolarHBondContact O-N 3.01Å; V529-L552 HydrophobicContact CG2-CD2 4.16Å; V529-A569 HydrophobicContact CG1-CB 4.45Å
530	Q	70.4	Confident	62.6	Low	87 Å²	87	54.5 Å²	54.5	41%	0.407	30%	0.298	S	S	.	.	H	α-helix	trans	-58.8	-43.9	174.7	-178.1	177.7	-4.4	0	0	111	S526 I532 M533 E534	S526-Q530 VanDerWaalsContact O-CB 3.25Å; S526-Q530 WeakPolarHBondContact O-CB 3.39Å; S526-Q530 PolarHBondContact O-N 3.29Å; Q530-I532 VanDerWaalsContact C-N 3.28Å; Q530-I532 PolarHBondContact O-N 3.26Å; Q530-M533 PolarHBondContact O-N 3.49Å; Q530-M533 VanDerWaalsContact O-N 3.12Å; Q530-E534 HydrophobicContact CG-CG 4.37Å; Q530-E534 WeakPolarHBondContact CG-OE1 3.3Å; Q530-E534 PolarHBondContact NE2-OE1 3.39Å; Q530-E534 WeakPolarHBondContact O-CG 3.48Å; Q530-E534 PolarHBondContact O-N 3.01Å
531	T	66.8	Low	62.2	Low	6 Å²	6	58.7 Å²	58.7	4%	0.037	31%	0.312	C	S	.	.	H	α-helix	trans	-65.1	-31.5	177.3	-53.1	0	0	0	0	112.5	M495 T527 I528 V529 K535 L548	M495-T531 HydrophobicContact CE-CG2 3.6Å; M495-T531 HydrophobicContact CG-CG2 4.44Å; M495-T531 WeakPolarHBondContact CG-OG1 3.35Å; T527-T531 WeakPolarHBondContact O-CB 3.48Å; T527-T531 PolarHBondContact O-N 3.38Å; T527-T531 PolarHBondContact O-OG1 3.18Å; I528-T531 PolarHBondContact O-N 3.48Å; V529-T531 VanDerWaalsContact C-N 3.3Å; V529-T531 PolarHBondContact O-N 3.48Å; T531-K535 HydrophobicContact CG2-CD 4.15Å; T531-K535 WeakPolarHBondContact O-CD 3.37Å; T531-K535 VanDerWaalsContact O-CG 3.24Å; T531-K535 WeakPolarHBondContact O-CG 3.45Å; T531-L548 HydrophobicContact CG2-CD2 4.41Å
532	I	67	Low	61.8	Low	7 Å²	7	60.7 Å²	60.7	4%	0.036	32%	0.322	C	S	.	.	H	α-helix	trans	-72.1	-37.3	173.6	-68.6	166.9	0	0	0	110.8	I528 V529 Q530 L548 L552 L570 V573 F577	I528-I532 HydrophobicContact CG2-CD1 3.99Å; I528-I532 HydrophobicContact CG2-CG1 4.46Å; I528-I532 VanDerWaalsContact O-CG1 3.28Å; I528-I532 WeakPolarHBondContact O-CG1 3.4Å; I528-I532 PolarHBondContact O-N 3.41Å; V529-I532 PolarHBondContact O-N 2.79Å; V529-I532 VanDerWaalsContact O-N 3.12Å; Q530-I532 VanDerWaalsContact C-N 3.28Å; Q530-I532 PolarHBondContact O-N 3.26Å; I532-L548 HydrophobicContact CG1-CB 4.45Å; I532-L552 HydrophobicContact CD1-CD1 3.45Å; I532-L552 VanDerWaalsContact CD1-CD1 3.45Å; I532-L570 HydrophobicContact CD1-CD2 4.29Å; I532-V573 HydrophobicContact CG2-CG1 4.11Å; I532-V573 HydrophobicContact CG2-CG2 3.63Å; I532-F577 HydrophobicContact CG2-CE1 4.41Å
533	M	64	Low	61.4	Low	102 Å²	102	59.6 Å²	59.6	50%	0.502	31%	0.306	S	S	.	.	H	α-helix	trans	-73.3	-30.4	179.1	-71.3	-176.1	176.2	0	0	113.6	V529 Q530 V572	V529-M533 HydrophobicContact CG1-CE 3.73Å; V529-M533 HydrophobicContact CG1-CG 4.45Å; V529-M533 HydrophobicContact CG1-SD 4.2Å; V529-M533 WeakPolarHBondContact O-CG 3.42Å; V529-M533 PolarHBondContact O-N 3.01Å; Q530-M533 PolarHBondContact O-N 3.49Å; Q530-M533 VanDerWaalsContact O-N 3.12Å; M533-V572 HydrophobicContact CE-CB 4.22Å
534	E	66.1	Low	60.9	Low	121 Å²	121	56.5 Å²	56.5	57%	0.565	29%	0.288	S	S	*	.	H	α-helix	trans	-81.2	-15.6	179.7	-72.3	176.5	-176.5	0	0	113.6	Q530	Q530-E534 HydrophobicContact CG-CG 4.37Å; Q530-E534 WeakPolarHBondContact CG-OE1 3.3Å; Q530-E534 PolarHBondContact NE2-OE1 3.39Å; Q530-E534 WeakPolarHBondContact O-CG 3.48Å; Q530-E534 PolarHBondContact O-N 3.01Å
535	K	62.3	Low	60.6	Low	40 Å²	40	56.6 Å²	56.6	17%	0.174	29%	0.288	C	S	.	.	S	Bend	trans	-88.9	148.9	-173.6	-81.4	177.8	179.1	-173.5	0	114.6	M502 T531 L548	M502-K535 HydrophobicContact CE-CD 4.09Å; M502-K535 HydrophobicContact SD-CD 4.42Å; M502-K535 PolarHBondContact SD-NZ 3.18Å; T531-K535 HydrophobicContact CG2-CD 4.15Å; T531-K535 WeakPolarHBondContact O-CD 3.37Å; T531-K535 VanDerWaalsContact O-CG 3.24Å; T531-K535 WeakPolarHBondContact O-CG 3.45Å; K535-L548 HydrophobicContact CD-CD1 4.36Å
536	S	48.6	Very low	60.4	Low	57 Å²	57	57.7 Å²	57.7	40%	0.399	29%	0.291	S	S	.	.			trans	-89.9	158.4	-173.2	68.1	0	0	0	0	114.7	L538 E539 L540	S536-L538 PolarHBondContact O-N 3.24Å; S536-E539 PolarHBondContact N-OE2 3.36Å; S536-E539 WeakPolarHBondContact O-CB 3.17Å; S536-E539 PolarHBondContact O-N 3.32Å; S536-E539 PolarHBondContact OG-OE2 3.31Å; S536-E539 VanDerWaalsContact OG-OE2 3.07Å; S536-L540 PolarHBondContact O-N 2.96Å; S536-L540 VanDerWaalsContact O-N 3.13Å
537	E	49.1	Very low	60.3	Low	144 Å²	144	54.9 Å²	54.9	67%	0.673	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-18	-179.4	-67.1	-179.6	176.8	0	0	115.5	K541	E537-K541 WeakPolarHBondContact O-CE 3.41Å; E537-K541 WeakPolarHBondContact O-CG 3.34Å
538	L	49	Very low	60.2	Low	134 Å²	134	54 Å²	54	70%	0.702	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-30.4	176.5	-75	164.7	0	0	0	112.4	S536 K541	S536-L538 PolarHBondContact O-N 3.24Å; L538-K541 PolarHBondContact O-N 3.47Å
539	E	51	Low	60.1	Low	82 Å²	82	54 Å²	54	38%	0.383	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-27.7	178.4	-84.2	172.2	161.6	0	0	112.3	M502 S536 K541 D542	M502-E539 HydrophobicContact CE-CB 3.38Å; M502-E539 HydrophobicContact CE-CG 3.57Å; S536-E539 PolarHBondContact N-OE2 3.36Å; S536-E539 WeakPolarHBondContact O-CB 3.17Å; S536-E539 PolarHBondContact O-N 3.32Å; S536-E539 PolarHBondContact OG-OE2 3.31Å; S536-E539 VanDerWaalsContact OG-OE2 3.07Å; E539-K541 PolarHBondContact O-N 2.9Å; E539-D542 PolarHBondContact O-N 2.93Å
540	L	53	Low	59.9	Low	27 Å²	27	53.1 Å²	53.1	14%	0.141	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-14.4	170.8	-70.2	166	0	0	0	113.2	S536 F577	S536-L540 PolarHBondContact O-N 2.96Å; S536-L540 VanDerWaalsContact O-N 3.13Å; L540-F577 HydrophobicContact CD2-CD1 3.68Å; L540-F577 HydrophobicContact CD2-CD2 4.3Å; L540-F577 HydrophobicContact CD2-CE1 3.73Å; L540-F577 HydrophobicContact CD2-CE2 4.36Å; L540-F577 HydrophobicContact CD2-CG 3.96Å; L540-F577 HydrophobicContact CD2-CZ 4.06Å
541	K	49	Very low	59.7	Low	129 Å²	129	49 Å²	49	56%	0.561	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-12.6	177.4	-66	177.4	-176.9	-175.6	0	113.6	E537 L538 E539	E537-K541 WeakPolarHBondContact O-CE 3.41Å; E537-K541 WeakPolarHBondContact O-CG 3.34Å; L538-K541 PolarHBondContact O-N 3.47Å; E539-K541 PolarHBondContact O-N 2.9Å
542	D	56.3	Low	59.8	Low	83 Å²	83	48.8 Å²	48.8	44%	0.444	24%	0.24	S	C	.	.	S	Bend	trans	-75	142.6	178.4	-86.6	-25.3	0	0	0	111	M502 E539 Y544 A545	M502-D542 HydrophobicContact CG-CB 4.2Å; E539-D542 PolarHBondContact O-N 2.93Å; D542-Y544 PolarHBondContact O-N 2.98Å; D542-A545 VanDerWaalsContact O-CB 3.23Å; D542-A545 WeakPolarHBondContact O-CB 3.39Å; D542-A545 PolarHBondContact O-N 3.3Å
543	T	55.7	Low	59.8	Low	27 Å²	27	48.4 Å²	48.4	17%	0.166	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-54	-27.7	-179	-42.4	0	0	0	0	113.2	A545 R546 D795 I799	T543-A545 VanDerWaalsContact C-N 3.3Å; T543-A545 PolarHBondContact O-N 3.24Å; T543-R546 WeakPolarHBondContact O-CB 3.36Å; T543-R546 PolarHBondContact O-N 3.29Å; T543-D795 HydrophobicContact CG2-CB 4.05Å; T543-D795 WeakPolarHBondContact CG2-OD2 3.13Å; T543-I799 HydrophobicContact CG2-CD1 3.41Å; T543-I799 VanDerWaalsContact CG2-CD1 3.41Å; T543-I799 HydrophobicContact CG2-CG1 3.44Å; T543-I799 VanDerWaalsContact CG2-CG1 3.44Å
544	Y	57	Low	60	Low	27 Å²	27	43.6 Å²	43.6	11%	0.106	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-71	-19.6	177.1	-67.1	-72.2	0	0	0	114.3	E503 D542 R546 W547 S804	E503-Y544 HydrophobicContact CB-CD1 3.98Å; E503-Y544 HydrophobicContact CB-CD2 4.45Å; E503-Y544 HydrophobicContact CB-CE1 3.73Å; E503-Y544 HydrophobicContact CB-CE2 4.22Å; E503-Y544 HydrophobicContact CB-CG 4.33Å; E503-Y544 HydrophobicContact CG-CD1 4.19Å; E503-Y544 HydrophobicContact CG-CD2 3.81Å; E503-Y544 HydrophobicContact CG-CE1 3.83Å; E503-Y544 HydrophobicContact CG-CE2 3.39Å; E503-Y544 HydrophobicContact CG-CG 4.18Å; E503-Y544 WeakPolarHBondContact OE1-CE2 3.45Å; E503-Y544 PolarHBondContact OE1-OH 3.34Å; D542-Y544 PolarHBondContact O-N 2.98Å; Y544-R546 PolarHBondContact O-N 3.38Å; Y544-W547 HydrophobicContact CD1-CD2 4.48Å; Y544-W547 AromaticContact CD1-CE3 3.6Å; Y544-W547 HydrophobicContact CD1-CE3 3.6Å; Y544-W547 AromaticContact CD1-CH2 3.68Å; Y544-W547 HydrophobicContact CD1-CH2 3.68Å; Y544-W547 AromaticContact CD1-CZ3 3.15Å; Y544-W547 HydrophobicContact CD1-CZ3 3.15Å; Y544-W547 HydrophobicContact CE1-CE3 4.21Å; Y544-W547 AromaticContact CE1-CH2 3.45Å; Y544-W547 HydrophobicContact CE1-CH2 3.45Å; Y544-W547 VanDerWaalsContact CE1-CH2 3.45Å; Y544-W547 HydrophobicContact CE1-CZ2 4.48Å; Y544-W547 AromaticContact CE1-CZ3 3.3Å; Y544-W547 HydrophobicContact CE1-CZ3 3.3Å; Y544-W547 HydrophobicContact CG-CZ3 4.45Å; Y544-W547 PolarHBondContact O-N 3.2Å; Y544-S804 PolarHBondContact OH-OG 3.12Å
545	A	60	Low	60.2	Low	2 Å²	2	37.8 Å²	37.8	2%	0.017	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-64.9	-20.4	174.2	0	0	0	0	0	112	D542 T543 W547 L548 P549 F577	D542-A545 VanDerWaalsContact O-CB 3.23Å; D542-A545 WeakPolarHBondContact O-CB 3.39Å; D542-A545 PolarHBondContact O-N 3.3Å; T543-A545 VanDerWaalsContact C-N 3.3Å; T543-A545 PolarHBondContact O-N 3.24Å; A545-W547 VanDerWaalsContact C-N 3.28Å; A545-W547 PolarHBondContact O-N 3.41Å; A545-L548 PolarHBondContact O-N 3.32Å; A545-P549 WeakPolarHBondContact O-CD 3.29Å; A545-F577 HydrophobicContact CB-CE2 3.77Å; A545-F577 HydrophobicContact CB-CZ 4.23Å; A545-F577 WeakPolarHBondContact O-CE2 3.49Å; A545-F577 WeakPolarHBondContact O-CZ 3.49Å
546	R	63.8	Low	60.3	Low	39 Å²	39	36 Å²	36	15%	0.147	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-69.7	-22.1	177.3	-61	178.7	-174.9	175.3	3.1	113.7	T543 Y544 F580	T543-R546 WeakPolarHBondContact O-CB 3.36Å; T543-R546 PolarHBondContact O-N 3.29Å; Y544-R546 PolarHBondContact O-N 3.38Å; R546-F580 HydrophobicContact CB-CE1 4.23Å; R546-F580 HydrophobicContact CB-CZ 4.19Å; R546-F580 HydrophobicContact CG-CE1 4.18Å; R546-F580 HydrophobicContact CG-CZ 3.99Å
547	W	67.6	Low	61.2	Low	1 Å²	1	33.4 Å²	33.4	0%	0.004	16%	0.161	C	C	.	.	H	α-helix	trans	-79.7	-19.8	177.8	-63.7	-27.8	0	0	0	112.9	G506 V507 Y544 A545 G551 S792 I799 V807	G506-W547 WeakPolarHBondContact O-CB 3.47Å; V507-W547 HydrophobicContact CG2-CE3 3.78Å; V507-W547 HydrophobicContact CG2-CH2 4.33Å; V507-W547 HydrophobicContact CG2-CZ3 3.39Å; Y544-W547 HydrophobicContact CD1-CD2 4.48Å; Y544-W547 AromaticContact CD1-CE3 3.6Å; Y544-W547 HydrophobicContact CD1-CE3 3.6Å; Y544-W547 AromaticContact CD1-CH2 3.68Å; Y544-W547 HydrophobicContact CD1-CH2 3.68Å; Y544-W547 AromaticContact CD1-CZ3 3.15Å; Y544-W547 HydrophobicContact CD1-CZ3 3.15Å; Y544-W547 HydrophobicContact CE1-CE3 4.21Å; Y544-W547 AromaticContact CE1-CH2 3.45Å; Y544-W547 HydrophobicContact CE1-CH2 3.45Å; Y544-W547 VanDerWaalsContact CE1-CH2 3.45Å; Y544-W547 HydrophobicContact CE1-CZ2 4.48Å; Y544-W547 AromaticContact CE1-CZ3 3.3Å; Y544-W547 HydrophobicContact CE1-CZ3 3.3Å; Y544-W547 HydrophobicContact CG-CZ3 4.45Å; Y544-W547 PolarHBondContact O-N 3.2Å; A545-W547 VanDerWaalsContact C-N 3.28Å; A545-W547 PolarHBondContact O-N 3.41Å; W547-G551 PolarHBondContact O-N 3.37Å; W547-S792 PolarHBondContact NE1-OG 3.42Å; W547-I799 HydrophobicContact CZ2-CG2 3.99Å; W547-V807 HydrophobicContact CH2-CG2 3.91Å; W547-V807 HydrophobicContact CZ2-CG2 3.82Å
548	L	67.4	Low	61.7	Low	1 Å²	1	28.2 Å²	28.2	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-68.2	-52.9	177.3	-63.1	153.5	0	0	0	112	M495 A509 T531 I532 K535 A545 L550 G551 L552	M495-L548 HydrophobicContact CE-CD2 3.19Å; A509-L548 HydrophobicContact CB-CD2 3.81Å; T531-L548 HydrophobicContact CG2-CD2 4.41Å; I532-L548 HydrophobicContact CG1-CB 4.45Å; K535-L548 HydrophobicContact CD-CD1 4.36Å; A545-L548 PolarHBondContact O-N 3.32Å; L548-L550 PolarHBondContact O-N 2.98Å; L548-G551 PolarHBondContact O-N 3.49Å; L548-L552 PolarHBondContact O-N 3.02Å
549	P	67.3	Low	62.4	Low	0 Å²	0	25 Å²	25	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-68.9	-24.9	176	-18.4	33.3	0	0	0	112.3	A545 L552 G553 F577 F580 A581 L584	A545-P549 WeakPolarHBondContact O-CD 3.29Å; P549-L552 PolarHBondContact O-N 3.32Å; P549-G553 PolarHBondContact O-N 3.28Å; P549-F577 HydrophobicContact CG-CE1 3.86Å; P549-F577 HydrophobicContact CG-CE2 4.06Å; P549-F577 HydrophobicContact CG-CZ 3.37Å; P549-F580 HydrophobicContact CG-CD1 4.36Å; P549-F580 HydrophobicContact CG-CE1 4.46Å; P549-A581 HydrophobicContact CB-CB 3.73Å; P549-A581 HydrophobicContact CG-CB 3.8Å; P549-L584 HydrophobicContact CB-CD2 4.07Å
550	L	66.6	Low	62.8	Low	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-67.4	-45	173.7	-175.6	59.5	0	0	0	110.9	L510 L548 L552 G553 L554 L584 L787 V791	L510-L550 HydrophobicContact CD1-CD2 3.69Å; L510-L550 HydrophobicContact CD1-CG 3.99Å; L548-L550 PolarHBondContact O-N 2.98Å; L550-L552 VanDerWaalsContact C-N 3.28Å; L550-L552 PolarHBondContact O-N 3.2Å; L550-G553 PolarHBondContact O-N 3.29Å; L550-G553 VanDerWaalsContact O-N 3.17Å; L550-L554 HydrophobicContact CD1-CD1 4.47Å; L550-L554 HydrophobicContact CD1-CD2 4.5Å; L550-L554 HydrophobicContact CD1-CG 4.2Å; L550-L554 HydrophobicContact CG-CD1 4.16Å; L550-L554 HydrophobicContact CG-CG 4.33Å; L550-L554 WeakPolarHBondContact O-CB 3.31Å; L550-L554 VanDerWaalsContact O-CG 3.23Å; L550-L554 WeakPolarHBondContact O-CG 3.05Å; L550-L554 PolarHBondContact O-N 3.04Å; L550-L584 HydrophobicContact CB-CD2 3.96Å; L550-L584 HydrophobicContact CD1-CD1 4.44Å; L550-L584 HydrophobicContact CD1-CD2 4.2Å; L550-L787 HydrophobicContact CD1-CB 4.32Å; L550-V791 HydrophobicContact CD1-CG2 4.16Å; L550-V791 HydrophobicContact CD2-CB 3.96Å; L550-V791 HydrophobicContact CD2-CG1 4.18Å; L550-V791 HydrophobicContact CD2-CG2 4.11Å
551	G	66.3	Low	63.2	Low	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-57.1	-40.8	173.8	0	0	0	0	0	112.8	A509 W547 L548 N555	A509-G551 WeakPolarHBondContact O-CA 3.27Å; W547-G551 PolarHBondContact O-N 3.37Å; L548-G551 PolarHBondContact O-N 3.49Å; G551-N555 PolarHBondContact O-N 3.4Å; G551-N555 VanDerWaalsContact O-N 3.13Å
552	L	69.7	Low	63.8	Low	1 Å²	1	23 Å²	23	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-63.1	-49.2	172	-86.6	157.6	0	0	0	112.5	T525 I528 V529 I532 L548 P549 L550 L554 N555 H556 L570 V585	T525-L552 HydrophobicContact CG2-CD2 3.85Å; I528-L552 HydrophobicContact CB-CD1 4.13Å; I528-L552 HydrophobicContact CB-CD2 4.21Å; I528-L552 HydrophobicContact CB-CG 3.87Å; I528-L552 HydrophobicContact CD1-CG 4.11Å; I528-L552 HydrophobicContact CG2-CD1 3.44Å; I528-L552 VanDerWaalsContact CG2-CD1 3.44Å; I528-L552 HydrophobicContact CG2-CD2 4.38Å; I528-L552 HydrophobicContact CG2-CG 3.55Å; V529-L552 HydrophobicContact CG2-CD2 4.16Å; I532-L552 HydrophobicContact CD1-CD1 3.45Å; I532-L552 VanDerWaalsContact CD1-CD1 3.45Å; L548-L552 PolarHBondContact O-N 3.02Å; P549-L552 PolarHBondContact O-N 3.32Å; L550-L552 VanDerWaalsContact C-N 3.28Å; L550-L552 PolarHBondContact O-N 3.2Å; L552-L554 VanDerWaalsContact C-N 3.27Å; L552-L554 PolarHBondContact O-N 3.28Å; L552-N555 PolarHBondContact O-N 3.11Å; L552-H556 PolarHBondContact O-CD2 3.31Å; L552-H556 PolarHBondContact O-N 3.33Å; L552-L570 HydrophobicContact CD1-CD2 4.4Å; L552-V585 HydrophobicContact CB-CG2 4.1Å
553	G	66.6	Low	64.2	Low	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61.5	-36.1	179.2	0	0	0	0	0	112.6	P549 L550 H556 L557 C588	P549-G553 PolarHBondContact O-N 3.28Å; L550-G553 PolarHBondContact O-N 3.29Å; L550-G553 VanDerWaalsContact O-N 3.17Å; G553-H556 CarbonylContact O-C 3.57Å; G553-H556 PolarHBondContact O-N 2.64Å; G553-L557 PolarHBondContact O-N 3.33Å; G553-L557 VanDerWaalsContact O-N 3.11Å; G553-C588 WeakPolarHBondContact O-CB 3.22Å
554	L	67.6	Low	64.7	Low	0 Å²	0	25 Å²	25	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-68.5	-39.9	175.6	-67.9	177.3	0	0	0	112.2	L510 M514 V517 G518 L550 L552 H556 L557 A784 L787 T788	L510-L554 HydrophobicContact CD1-CD1 4.08Å; M514-L554 HydrophobicContact CG-CD1 4.28Å; V517-L554 WeakPolarHBondContact CA-O 3.39Å; V517-L554 WeakPolarHBondContact CG1-O 3.39Å; V517-L554 HydrophobicContact CG2-CB 4.49Å; G518-L554 PolarHBondContact N-O 3.16Å; L550-L554 HydrophobicContact CD1-CD1 4.47Å; L550-L554 HydrophobicContact CD1-CD2 4.5Å; L550-L554 HydrophobicContact CD1-CG 4.2Å; L550-L554 HydrophobicContact CG-CD1 4.16Å; L550-L554 HydrophobicContact CG-CG 4.33Å; L550-L554 WeakPolarHBondContact O-CB 3.31Å; L550-L554 VanDerWaalsContact O-CG 3.23Å; L550-L554 WeakPolarHBondContact O-CG 3.05Å; L550-L554 PolarHBondContact O-N 3.04Å; L552-L554 VanDerWaalsContact C-N 3.27Å; L552-L554 PolarHBondContact O-N 3.28Å; L554-H556 PolarHBondContact O-N 3.42Å; L554-L557 VanDerWaalsContact O-CB 3.32Å; L554-L557 WeakPolarHBondContact O-CB 3.32Å; L554-L557 PolarHBondContact O-N 3.27Å; L554-A784 HydrophobicContact CD1-CB 4.09Å; L554-A784 HydrophobicContact CD2-CB 3.68Å; L554-A784 HydrophobicContact CG-CB 4.41Å; L554-L787 HydrophobicContact CD2-CD1 4.24Å; L554-T788 HydrophobicContact CD1-CG2 4.32Å
555	N	70.3	Confident	65.2	Low	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.1	-32.9	175.1	-166.4	16.2	0	0	0	112.2	A516 G518 C520 N521 T525 G551 L552	A516-N555 PolarHBondContact O-OD1 2.87Å; G518-N555 PolarHBondContact N-O 3.29Å; C520-N555 PolarHBondContact N-O 3.06Å; C520-N555 PolarHBondContact N-OD1 3.49Å; N521-N555 PolarHBondContact N-OD1 3.1Å; N521-N555 PolarHBondContact O-ND2 3.48Å; T525-N555 PolarHBondContact OG1-ND2 3.19Å; G551-N555 PolarHBondContact O-N 3.4Å; G551-N555 VanDerWaalsContact O-N 3.13Å; L552-N555 PolarHBondContact O-N 3.11Å
556	H	65	Low	65.5	Low	3 Å²	3	29 Å²	29	1%	0.014	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	14.1	179.9	-63.2	-63.3	0	0	0	114.5	C520 T525 L552 G553 L554 G558 I563	C520-H556 PolarHBondContact SG-CE1 3.32Å; C520-H556 PolarHBondContact SG-ND1 2.98Å; T525-H556 WeakPolarHBondContact CG2-NE2 3.33Å; T525-H556 PolarHBondContact OG1-CE1 2.87Å; T525-H556 PolarHBondContact OG1-NE2 3.12Å; L552-H556 PolarHBondContact O-CD2 3.31Å; L552-H556 PolarHBondContact O-N 3.33Å; G553-H556 CarbonylContact O-C 3.57Å; G553-H556 PolarHBondContact O-N 2.64Å; L554-H556 PolarHBondContact O-N 3.42Å; H556-G558 PolarHBondContact O-N 3.47Å; H556-I563 HydrophobicContact CB-CG1 3.96Å
557	L	66.6	Low	65.7	Low	1 Å²	1	28.8 Å²	28.8	1%	0.005	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	123	-179.4	-170.9	76.1	0	0	0	110.9	V517 G518 G553 L554 C588 A591 Q780 V783	V517-L557 HydrophobicContact CG1-CB 3.96Å; V517-L557 HydrophobicContact CG1-CD2 3.59Å; V517-L557 HydrophobicContact CG1-CG 4.42Å; G518-L557 WeakPolarHBondContact CA-O 3.38Å; G553-L557 PolarHBondContact O-N 3.33Å; G553-L557 VanDerWaalsContact O-N 3.11Å; L554-L557 VanDerWaalsContact O-CB 3.32Å; L554-L557 WeakPolarHBondContact O-CB 3.32Å; L554-L557 PolarHBondContact O-N 3.27Å; L557-C588 HydrophobicContact CD1-CB 4.1Å; L557-C588 WeakPolarHBondContact CD1-O 3.42Å; L557-A591 HydrophobicContact CD1-CB 3.8Å; L557-Q780 HydrophobicContact CD2-CB 3.86Å; L557-Q780 HydrophobicContact CD2-CG 3.98Å; L557-V783 HydrophobicContact CD1-CG1 4.25Å; L557-V783 HydrophobicContact CD2-CB 4.22Å; L557-V783 HydrophobicContact CD2-CG1 4.12Å
558	G	59.6	Low	65.8	Low	35 Å²	35	31.3 Å²	31.3	36%	0.361	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	16.4	171.2	0	0	0	0	0	116.8	H556 C588	H556-G558 PolarHBondContact O-N 3.47Å; G558-C588 PolarHBondContact N-O 2.74Å
559	K	64.4	Low	65.8	Low	68 Å²	68	32.9 Å²	32.9	30%	0.296	20%	0.195	S	C	.	.			trans	-128.9	82.2	175.1	-75	-175.1	173.8	167.7	0	111.4	G518 C520 E561 I563	G518-K559 WeakPolarHBondContact O-CD 3.46Å; G518-K559 WeakPolarHBondContact O-CE 3.36Å; G518-K559 PolarHBondContact O-NZ 2.84Å; C520-K559 HydrophobicContact CB-CD 4.34Å; K559-E561 VanDerWaalsContact C-N 3.31Å; K559-E561 PolarHBondContact O-N 3.24Å; K559-I563 WeakPolarHBondContact O-CD1 3.3Å
560	G	59.1	Low	65.8	Low	9 Å²	9	33 Å²	33	9%	0.093	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-29	-172.6	0	0	0	0	0	117.2	I563	G560-I563 VanDerWaalsContact C-CD1 3.49Å; G560-I563 VanDerWaalsContact CA-CD1 3.43Å; G560-I563 VanDerWaalsContact O-CD1 3.3Å; G560-I563 WeakPolarHBondContact O-CD1 3.27Å
561	E	60.9	Low	65.8	Low	151 Å²	151	38.9 Å²	38.9	71%	0.706	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-33.3	-171.9	-63.3	-177.9	171.1	0	0	114.2	K559 I563	K559-E561 VanDerWaalsContact C-N 3.31Å; K559-E561 PolarHBondContact O-N 3.24Å; E561-I563 VanDerWaalsContact C-N 3.29Å; E561-I563 PolarHBondContact O-N 3.42Å
562	A	61.2	Low	65.8	Low	35 Å²	35	43.9 Å²	43.9	29%	0.289	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-11.7	-173.1	0	0	0	0	0	113.7	T565	A562-T565 PolarHBondContact O-OG1 3.46Å
563	I	65.7	Low	65.5	Low	3 Å²	3	44.3 Å²	44.3	2%	0.015	26%	0.255	C	S	.	.	H	α-helix	trans	-76.2	-26.5	-171.6	-64.6	116.3	0	0	0	113	H556 K559 G560 E561 T565 T566 L567 V585 A589	H556-I563 HydrophobicContact CB-CG1 3.96Å; K559-I563 WeakPolarHBondContact O-CD1 3.3Å; G560-I563 VanDerWaalsContact C-CD1 3.49Å; G560-I563 VanDerWaalsContact CA-CD1 3.43Å; G560-I563 VanDerWaalsContact O-CD1 3.3Å; G560-I563 WeakPolarHBondContact O-CD1 3.27Å; E561-I563 VanDerWaalsContact C-N 3.29Å; E561-I563 PolarHBondContact O-N 3.42Å; I563-T565 PolarHBondContact O-N 3.34Å; I563-T566 WeakPolarHBondContact CA-OG1 3.41Å; I563-T566 CarbonylContact O-C 3.55Å; I563-T566 WeakPolarHBondContact O-CA 3.21Å; I563-T566 PolarHBondContact O-N 3.34Å; I563-T566 PolarHBondContact O-OG1 3.23Å; I563-L567 HydrophobicContact CG2-CD1 3.61Å; I563-L567 HydrophobicContact CG2-CD2 4.43Å; I563-L567 HydrophobicContact CG2-CG 3.59Å; I563-L567 PolarHBondContact O-N 2.91Å; I563-V585 HydrophobicContact CG2-CG1 3.75Å; I563-A589 HydrophobicContact CB-CB 4.42Å; I563-A589 HydrophobicContact CD1-CB 3.04Å; I563-A589 HydrophobicContact CG1-CB 3.65Å; I563-A589 HydrophobicContact CG2-CB 4.41Å
564	E	66.6	Low	65.2	Low	148 Å²	148	47.3 Å²	47.3	69%	0.692	28%	0.275	S	S	*	.	H	α-helix	trans	-57.1	-38.2	-177.4	-65	-166.9	161.8	0	0	112.1	T566 A568	E564-T566 VanDerWaalsContact C-N 3.34Å; E564-T566 PolarHBondContact O-N 3.39Å; E564-A568 WeakPolarHBondContact O-CB 3.4Å; E564-A568 PolarHBondContact O-N 2.95Å
565	T	66.6	Low	64.1	Low	105 Å²	105	53.7 Å²	53.7	64%	0.644	31%	0.305	S	S	*	.	H	α-helix	trans	-63.8	-39.5	175.8	65.1	0	0	0	0	112.1	A562 I563 A569	A562-T565 PolarHBondContact O-OG1 3.46Å; I563-T565 PolarHBondContact O-N 3.34Å; T565-A569 PolarHBondContact O-N 3.23Å; T565-A569 VanDerWaalsContact O-N 3.11Å
566	T	66.4	Low	63.4	Low	9 Å²	9	56.3 Å²	56.3	6%	0.055	32%	0.322	C	S	.	.	H	α-helix	trans	-77.2	-36.6	-179.6	69.2	0	0	0	0	112.5	T525 I563 E564 A568 A569 L570	T525-T566 HydrophobicContact CG2-CG2 3.78Å; I563-T566 WeakPolarHBondContact CA-OG1 3.41Å; I563-T566 CarbonylContact O-C 3.55Å; I563-T566 WeakPolarHBondContact O-CA 3.21Å; I563-T566 PolarHBondContact O-N 3.34Å; I563-T566 PolarHBondContact O-OG1 3.23Å; E564-T566 VanDerWaalsContact C-N 3.34Å; E564-T566 PolarHBondContact O-N 3.39Å; T566-A568 VanDerWaalsContact C-N 3.35Å; T566-A569 PolarHBondContact O-N 3.43Å; T566-L570 VanDerWaalsContact O-CG 3.31Å; T566-L570 WeakPolarHBondContact O-CG 3.27Å; T566-L570 PolarHBondContact O-N 3.01Å
567	L	69.3	Low	63.3	Low	35 Å²	35	57.3 Å²	57.3	18%	0.183	33%	0.326	C	S	.	.	H	α-helix	trans	-63	-42.7	171.1	-75.2	173.2	0	0	0	110.7	I563 A569 L570 Q571 N582	I563-L567 HydrophobicContact CG2-CD1 3.61Å; I563-L567 HydrophobicContact CG2-CD2 4.43Å; I563-L567 HydrophobicContact CG2-CG 3.59Å; I563-L567 PolarHBondContact O-N 2.91Å; L567-A569 VanDerWaalsContact C-N 3.3Å; L567-A569 PolarHBondContact O-N 2.87Å; L567-L570 PolarHBondContact O-N 3.43Å; L567-Q571 WeakPolarHBondContact O-CG 3.24Å; L567-Q571 PolarHBondContact O-N 3.49Å; L567-Q571 VanDerWaalsContact O-N 3.11Å; L567-N582 HydrophobicContact CD2-CB 4.06Å
568	A	68.4	Low	63.2	Low	54 Å²	54	60.2 Å²	60.2	45%	0.446	34%	0.337	S	S	.	.	H	α-helix	trans	-61.5	-38.9	175	0	0	0	0	0	111.9	E564 T566 Q571	E564-A568 WeakPolarHBondContact O-CB 3.4Å; E564-A568 PolarHBondContact O-N 2.95Å; T566-A568 VanDerWaalsContact C-N 3.35Å; A568-Q571 WeakPolarHBondContact O-CB 2.83Å; A568-Q571 PolarHBondContact O-N 3.39Å
569	A	68.3	Low	63.5	Low	34 Å²	34	60.1 Å²	60.1	28%	0.281	33%	0.331	S	S	.	.	H	α-helix	trans	-66.4	-37.9	174.3	0	0	0	0	0	112.7	V529 T565 T566 L567 Q571 V572	V529-A569 HydrophobicContact CG1-CB 4.45Å; T565-A569 PolarHBondContact O-N 3.23Å; T565-A569 VanDerWaalsContact O-N 3.11Å; T566-A569 PolarHBondContact O-N 3.43Å; L567-A569 VanDerWaalsContact C-N 3.3Å; L567-A569 PolarHBondContact O-N 2.87Å; A569-Q571 VanDerWaalsContact C-N 3.29Å; A569-Q571 PolarHBondContact O-N 2.89Å; A569-V572 PolarHBondContact O-N 2.95Å
570	L	67.3	Low	63.7	Low	3 Å²	3	57.1 Å²	57.1	2%	0.016	32%	0.318	C	S	.	.	H	α-helix	trans	-71.9	-18.2	178.5	-72.2	168.1	0	0	0	113.6	I532 L552 T566 L567 V572 V573 N582 V585	I532-L570 HydrophobicContact CD1-CD2 4.29Å; L552-L570 HydrophobicContact CD1-CD2 4.4Å; T566-L570 VanDerWaalsContact O-CG 3.31Å; T566-L570 WeakPolarHBondContact O-CG 3.27Å; T566-L570 PolarHBondContact O-N 3.01Å; L567-L570 PolarHBondContact O-N 3.43Å; L570-V572 PolarHBondContact O-N 3.21Å; L570-V572 VanDerWaalsContact O-N 3.17Å; L570-V573 WeakPolarHBondContact O-CB 3.3Å; L570-V573 WeakPolarHBondContact O-CG2 3.26Å; L570-V573 PolarHBondContact O-N 2.93Å; L570-N582 VanDerWaalsContact CB-OD1 3.25Å; L570-N582 WeakPolarHBondContact CB-OD1 3.22Å; L570-V585 HydrophobicContact CD1-CG2 4.06Å
571	Q	65.9	Low	64.1	Low	122 Å²	122	56.8 Å²	56.8	57%	0.57	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-18.1	174.8	-74	176.8	10.5	0	0	113.6	L567 A568 A569 V573 R578	L567-Q571 WeakPolarHBondContact O-CG 3.24Å; L567-Q571 PolarHBondContact O-N 3.49Å; L567-Q571 VanDerWaalsContact O-N 3.11Å; A568-Q571 WeakPolarHBondContact O-CB 2.83Å; A568-Q571 PolarHBondContact O-N 3.39Å; A569-Q571 VanDerWaalsContact C-N 3.29Å; A569-Q571 PolarHBondContact O-N 2.89Å; Q571-V573 VanDerWaalsContact C-N 3.31Å; Q571-V573 PolarHBondContact O-N 3.35Å; Q571-R578 PolarHBondContact O-NE 3.19Å; Q571-R578 PolarHBondContact O-NH2 3.44Å
572	V	66	Low	64.7	Low	106 Å²	106	51.2 Å²	51.2	64%	0.642	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-18.5	179.9	-173.6	0	0	0	0	112.4	M533 A569 L570	M533-V572 HydrophobicContact CE-CB 4.22Å; A569-V572 PolarHBondContact O-N 2.95Å; L570-V572 PolarHBondContact O-N 3.21Å; L570-V572 VanDerWaalsContact O-N 3.17Å
573	V	64	Low	65.2	Low	9 Å²	9	50.1 Å²	50.1	6%	0.055	28%	0.279	C	S	.	.	S	Bend	trans	-76.5	143.1	-176	-177.7	0	0	0	0	111.8	I532 L570 Q571 F577 R578	I532-V573 HydrophobicContact CG2-CG1 4.11Å; I532-V573 HydrophobicContact CG2-CG2 3.63Å; L570-V573 WeakPolarHBondContact O-CB 3.3Å; L570-V573 WeakPolarHBondContact O-CG2 3.26Å; L570-V573 PolarHBondContact O-N 2.93Å; Q571-V573 VanDerWaalsContact C-N 3.31Å; Q571-V573 PolarHBondContact O-N 3.35Å; V573-F577 HydrophobicContact CG1-CD1 4.17Å; V573-R578 PolarHBondContact O-NE 3.25Å; V573-R578 PolarHBondContact O-NH2 3.25Å
574	P	59.3	Low	65.2	Low	63 Å²	63	50.2 Å²	50.2	41%	0.409	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-66	150.4	179.2	22.8	-31.7	0	0	0	115.2	R578	P574-R578 PolarHBondContact O-N 3.32Å
575	E	44.3	Very low	65.5	Low	135 Å²	135	43.1 Å²	43.1	63%	0.631	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	138.1	175	-63.3	-171.2	-179.9	0	0	110.5	R578	E575-R578 HydrophobicContact CG-CB 4.45Å; E575-R578 IonicContact OE1-NH1 2.86Å; E575-R578 PolarHBondContact OE1-NH1 2.92Å
576	P	57.2	Low	65.7	Low	55 Å²	55	39.4 Å²	39.4	36%	0.357	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	cis	-103.4	-3	22.4	36.6	-34.5	0	0	0	117.3	R578 S579 M636	P576-R578 VanDerWaalsContact C-N 3.3Å; P576-R578 PolarHBondContact O-N 3.49Å; P576-S579 PolarHBondContact O-N 3.2Å; P576-M636 HydrophobicContact CB-CG 4.47Å; P576-M636 HydrophobicContact CB-SD 3.64Å
577	F	62.3	Low	65.8	Low	24 Å²	24	39.1 Å²	39.1	11%	0.105	22%	0.22	C	C	.	.	H	α-helix	trans	-68.3	-30.2	178.2	-173.6	-99.2	0	0	0	112.4	I532 L540 A545 P549 V573 S579 F580 A581	I532-F577 HydrophobicContact CG2-CE1 4.41Å; L540-F577 HydrophobicContact CD2-CD1 3.68Å; L540-F577 HydrophobicContact CD2-CD2 4.3Å; L540-F577 HydrophobicContact CD2-CE1 3.73Å; L540-F577 HydrophobicContact CD2-CE2 4.36Å; L540-F577 HydrophobicContact CD2-CG 3.96Å; L540-F577 HydrophobicContact CD2-CZ 4.06Å; A545-F577 HydrophobicContact CB-CE2 3.77Å; A545-F577 HydrophobicContact CB-CZ 4.23Å; A545-F577 WeakPolarHBondContact O-CE2 3.49Å; A545-F577 WeakPolarHBondContact O-CZ 3.49Å; P549-F577 HydrophobicContact CG-CE1 3.86Å; P549-F577 HydrophobicContact CG-CE2 4.06Å; P549-F577 HydrophobicContact CG-CZ 3.37Å; V573-F577 HydrophobicContact CG1-CD1 4.17Å; F577-S579 PolarHBondContact O-N 3.19Å; F577-F580 PolarHBondContact O-N 3.37Å; F577-A581 WeakPolarHBondContact O-CB 3.36Å; F577-A581 PolarHBondContact O-N 2.97Å
578	R	64.2	Low	65.5	Low	62 Å²	62	37.4 Å²	37.4	23%	0.234	21%	0.212	C	C	.	.	H	α-helix	trans	-51.6	-52.1	172.7	179.9	-167.8	-66.3	166.6	-4.7	112.3	Q571 V573 P574 E575 P576 F580 A581 N582	Q571-R578 PolarHBondContact O-NE 3.19Å; Q571-R578 PolarHBondContact O-NH2 3.44Å; V573-R578 PolarHBondContact O-NE 3.25Å; V573-R578 PolarHBondContact O-NH2 3.25Å; P574-R578 PolarHBondContact O-N 3.32Å; E575-R578 HydrophobicContact CG-CB 4.45Å; E575-R578 IonicContact OE1-NH1 2.86Å; E575-R578 PolarHBondContact OE1-NH1 2.92Å; P576-R578 VanDerWaalsContact C-N 3.3Å; P576-R578 PolarHBondContact O-N 3.49Å; R578-F580 VanDerWaalsContact C-N 3.3Å; R578-F580 PolarHBondContact O-N 2.97Å; R578-A581 PolarHBondContact O-N 2.96Å; R578-N582 VanDerWaalsContact O-CB 3.32Å; R578-N582 WeakPolarHBondContact O-CB 3.19Å; R578-N582 VanDerWaalsContact O-CG 3.25Å; R578-N582 PolarHBondContact O-N 3.3Å
579	S	66.9	Low	65.5	Low	32 Å²	32	35 Å²	35	22%	0.224	19%	0.191	C	C	.	.	H	α-helix	trans	-67	-36.4	-174.9	-45.9	0	0	0	0	110.8	P576 F577 T583 H639	P576-S579 PolarHBondContact O-N 3.2Å; F577-S579 PolarHBondContact O-N 3.19Å; S579-T583 WeakPolarHBondContact O-CB 3.48Å; S579-T583 WeakPolarHBondContact O-CG2 3.39Å; S579-T583 PolarHBondContact O-N 3.22Å; S579-T583 PolarHBondContact O-OG1 3.45Å; S579-H639 WeakPolarHBondContact CB-CD2 3.13Å; S579-H639 VanDerWaalsContact CB-NE2 3.28Å; S579-H639 WeakPolarHBondContact CB-NE2 3.33Å; S579-H639 PolarHBondContact O-CD2 3.47Å; S579-H639 VanDerWaalsContact O-CD2 3.27Å; S579-H639 PolarHBondContact O-NE2 2.95Å
580	F	67.1	Low	65.3	Low	6 Å²	6	35.2 Å²	35.2	3%	0.026	19%	0.185	C	C	.	.	H	α-helix	trans	-65.5	-45.5	175.4	179	-90	0	0	0	112	R546 P549 F577 R578 T583 L584 S638 H639 V642	R546-F580 HydrophobicContact CB-CE1 4.23Å; R546-F580 HydrophobicContact CB-CZ 4.19Å; R546-F580 HydrophobicContact CG-CE1 4.18Å; R546-F580 HydrophobicContact CG-CZ 3.99Å; P549-F580 HydrophobicContact CG-CD1 4.36Å; P549-F580 HydrophobicContact CG-CE1 4.46Å; F577-F580 PolarHBondContact O-N 3.37Å; R578-F580 VanDerWaalsContact C-N 3.3Å; R578-F580 PolarHBondContact O-N 2.97Å; F580-T583 PolarHBondContact O-OG1 3.34Å; F580-T583 VanDerWaalsContact O-OG1 3.14Å; F580-L584 HydrophobicContact CE1-CD2 4.4Å; F580-L584 WeakPolarHBondContact O-CB 3.3Å; F580-L584 PolarHBondContact O-N 3.02Å; F580-S638 WeakPolarHBondContact CD2-OG 3.46Å; F580-H639 PolarHBondContact N-CD2 3.29Å; F580-V642 HydrophobicContact CD2-CG2 3.96Å; F580-V642 HydrophobicContact CE2-CB 4.2Å; F580-V642 HydrophobicContact CE2-CG2 3.22Å; F580-V642 HydrophobicContact CZ-CG2 3.68Å
581	A	67.8	Low	65.1	Low	2 Å²	2	35.6 Å²	35.6	2%	0.017	19%	0.189	C	C	.	.	H	α-helix	trans	-66.7	-43.9	177.6	0	0	0	0	0	112	P549 F577 R578 L584 V585	P549-A581 HydrophobicContact CB-CB 3.73Å; P549-A581 HydrophobicContact CG-CB 3.8Å; F577-A581 WeakPolarHBondContact O-CB 3.36Å; F577-A581 PolarHBondContact O-N 2.97Å; R578-A581 PolarHBondContact O-N 2.96Å; A581-L584 PolarHBondContact O-N 3.49Å; A581-V585 WeakPolarHBondContact O-CB 3.36Å; A581-V585 VanDerWaalsContact O-CG2 3.29Å; A581-V585 WeakPolarHBondContact O-CG2 3.12Å; A581-V585 PolarHBondContact O-N 3.39Å
582	N	73.6	Confident	64.9	Low	33 Å²	33	31 Å²	31	18%	0.176	18%	0.175	C	C	.	.	H	α-helix	trans	-62	-46.9	178.4	-76	-9.6	0	0	0	111.6	L567 L570 R578 D586	L567-N582 HydrophobicContact CD2-CB 4.06Å; L570-N582 VanDerWaalsContact CB-OD1 3.25Å; L570-N582 WeakPolarHBondContact CB-OD1 3.22Å; R578-N582 VanDerWaalsContact O-CB 3.32Å; R578-N582 WeakPolarHBondContact O-CB 3.19Å; R578-N582 VanDerWaalsContact O-CG 3.25Å; R578-N582 PolarHBondContact O-N 3.3Å; N582-D586 WeakPolarHBondContact O-CB 3.23Å; N582-D586 PolarHBondContact O-N 3.36Å
583	T	71.2	Confident	64.8	Low	12 Å²	12	27.7 Å²	27.7	7%	0.074	16%	0.156	C	C	.	.	H	α-helix	trans	-66.1	-38.3	178.1	47.1	0	0	0	0	112.4	S579 F580 V587 I605 H639	S579-T583 WeakPolarHBondContact O-CB 3.48Å; S579-T583 WeakPolarHBondContact O-CG2 3.39Å; S579-T583 PolarHBondContact O-N 3.22Å; S579-T583 PolarHBondContact O-OG1 3.45Å; F580-T583 PolarHBondContact O-OG1 3.34Å; F580-T583 VanDerWaalsContact O-OG1 3.14Å; T583-V587 WeakPolarHBondContact O-CB 3.24Å; T583-V587 WeakPolarHBondContact O-CG2 3.43Å; T583-V587 PolarHBondContact O-N 3.01Å; T583-I605 HydrophobicContact CG2-CD1 4.39Å; T583-H639 VanDerWaalsContact CG2-NE2 3.34Å; T583-H639 WeakPolarHBondContact CG2-NE2 3.32Å
584	L	67.5	Low	64.6	Low	5 Å²	5	27.7 Å²	27.7	3%	0.026	16%	0.158	C	C	.	.	H	α-helix	trans	-66.9	-43.5	178	-171.9	61.7	0	0	0	112.2	P549 L550 F580 A581 V587 C588 V642	P549-L584 HydrophobicContact CB-CD2 4.07Å; L550-L584 HydrophobicContact CB-CD2 3.96Å; L550-L584 HydrophobicContact CD1-CD1 4.44Å; L550-L584 HydrophobicContact CD1-CD2 4.2Å; F580-L584 HydrophobicContact CE1-CD2 4.4Å; F580-L584 WeakPolarHBondContact O-CB 3.3Å; F580-L584 PolarHBondContact O-N 3.02Å; A581-L584 PolarHBondContact O-N 3.49Å; L584-V587 PolarHBondContact O-N 3.28Å; L584-C588 WeakPolarHBondContact O-CB 3.02Å; L584-C588 PolarHBondContact O-N 3.21Å; L584-C588 PolarHBondContact O-SG 3.35Å; L584-V642 HydrophobicContact CB-CG1 4Å; L584-V642 HydrophobicContact CD1-CG1 3.72Å; L584-V642 HydrophobicContact CG-CG1 4.44Å
585	V	71.5	Confident	64.9	Low	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-68.4	-42.5	178.1	176.1	0	0	0	0	110.9	L552 I563 L570 A581 V587 C588 A589	L552-V585 HydrophobicContact CB-CG2 4.1Å; I563-V585 HydrophobicContact CG2-CG1 3.75Å; L570-V585 HydrophobicContact CD1-CG2 4.06Å; A581-V585 WeakPolarHBondContact O-CB 3.36Å; A581-V585 VanDerWaalsContact O-CG2 3.29Å; A581-V585 WeakPolarHBondContact O-CG2 3.12Å; A581-V585 PolarHBondContact O-N 3.39Å; V585-V587 VanDerWaalsContact C-N 3.32Å; V585-V587 PolarHBondContact O-N 2.94Å; V585-C588 PolarHBondContact O-N 3.33Å; V585-A589 VanDerWaalsContact O-CB 3.24Å; V585-A589 WeakPolarHBondContact O-CB 3.46Å; V585-A589 PolarHBondContact O-N 2.89Å
586	D	72.1	Confident	66	Low	27 Å²	27	24.9 Å²	24.9	14%	0.144	15%	0.147	C	C	.	.	H	α-helix	trans	-63.9	-35.5	175.8	-167.8	48.4	0	0	0	111.7	N582 A589 Y590 K598	N582-D586 WeakPolarHBondContact O-CB 3.23Å; N582-D586 PolarHBondContact O-N 3.36Å; D586-A589 WeakPolarHBondContact O-CB 3.44Å; D586-Y590 WeakPolarHBondContact O-CD2 3.18Å; D586-Y590 PolarHBondContact O-N 3.46Å; D586-Y590 VanDerWaalsContact OD1-CE2 3.23Å; D586-Y590 WeakPolarHBondContact OD1-CE2 3.36Å; D586-K598 IonicContact OD1-NZ 3.64Å; D586-K598 PolarHBondContact OD1-NZ 3.19Å; D586-K598 IonicContact OD2-NZ 3.58Å; D586-K598 PolarHBondContact OD2-NZ 3.31Å
587	V	68.3	Low	66.6	Low	2 Å²	2	27.6 Å²	27.6	1%	0.012	16%	0.158	C	C	.	.	H	α-helix	trans	-73.3	-43.9	177	159.9	0	0	0	0	112.3	T583 L584 V585 A589 Y590 A591 L602 L649	T583-V587 WeakPolarHBondContact O-CB 3.24Å; T583-V587 WeakPolarHBondContact O-CG2 3.43Å; T583-V587 PolarHBondContact O-N 3.01Å; L584-V587 PolarHBondContact O-N 3.28Å; V585-V587 VanDerWaalsContact C-N 3.32Å; V585-V587 PolarHBondContact O-N 2.94Å; V587-A589 VanDerWaalsContact C-N 3.29Å; V587-Y590 PolarHBondContact O-N 2.94Å; V587-A591 PolarHBondContact O-N 2.88Å; V587-L602 HydrophobicContact CG2-CD1 3.76Å; V587-L602 HydrophobicContact CG2-CD2 3.87Å; V587-L602 HydrophobicContact CG2-CG 4.48Å; V587-L649 HydrophobicContact CG1-CB 4.26Å; V587-L649 HydrophobicContact CG1-CD1 3.59Å
588	C	62.9	Low	66.9	Low	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-67	-35	179	-70.5	0	0	0	0	111.3	G553 L557 G558 L584 V585 Y590 A591	G553-C588 WeakPolarHBondContact O-CB 3.22Å; L557-C588 HydrophobicContact CD1-CB 4.1Å; L557-C588 WeakPolarHBondContact CD1-O 3.42Å; G558-C588 PolarHBondContact N-O 2.74Å; L584-C588 WeakPolarHBondContact O-CB 3.02Å; L584-C588 PolarHBondContact O-N 3.21Å; L584-C588 PolarHBondContact O-SG 3.35Å; V585-C588 PolarHBondContact O-N 3.33Å; C588-Y590 PolarHBondContact O-N 3.42Å; C588-A591 WeakPolarHBondContact O-CB 3.3Å; C588-A591 PolarHBondContact O-N 3.47Å
589	A	67.4	Low	67.1	Low	2 Å²	2	26.5 Å²	26.5	2%	0.017	16%	0.157	C	C	.	.	H	α-helix	trans	-52.7	-50.8	171.3	0	0	0	0	0	113.8	I563 V585 D586 V587 A591	I563-A589 HydrophobicContact CB-CB 4.42Å; I563-A589 HydrophobicContact CD1-CB 3.04Å; I563-A589 HydrophobicContact CG1-CB 3.65Å; I563-A589 HydrophobicContact CG2-CB 4.41Å; V585-A589 VanDerWaalsContact O-CB 3.24Å; V585-A589 WeakPolarHBondContact O-CB 3.46Å; V585-A589 PolarHBondContact O-N 2.89Å; D586-A589 WeakPolarHBondContact O-CB 3.44Å; V587-A589 VanDerWaalsContact C-N 3.29Å; A589-A591 VanDerWaalsContact C-N 3.31Å; A589-A591 PolarHBondContact O-N 2.99Å
590	Y	64.8	Low	67.3	Low	40 Å²	40	30.5 Å²	30.5	16%	0.157	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	20.6	-176.4	-64	-65.4	0	0	0	113	D586 V587 C588 G592 S593 K598	D586-Y590 WeakPolarHBondContact O-CD2 3.18Å; D586-Y590 PolarHBondContact O-N 3.46Å; D586-Y590 VanDerWaalsContact OD1-CE2 3.23Å; D586-Y590 WeakPolarHBondContact OD1-CE2 3.36Å; V587-Y590 PolarHBondContact O-N 2.94Å; C588-Y590 PolarHBondContact O-N 3.42Å; Y590-G592 PolarHBondContact O-N 2.82Å; Y590-S593 PolarHBondContact O-N 3.46Å; Y590-S593 PolarHBondContact O-OG 3.36Å; Y590-K598 HydrophobicContact CD2-CD 3.86Å; Y590-K598 HydrophobicContact CD2-CG 3.91Å; Y590-K598 HydrophobicContact CE2-CD 3.85Å; Y590-K598 HydrophobicContact CE2-CG 4.18Å; Y590-K598 HydrophobicContact CG-CG 4.27Å
591	A	63.3	Low	67.5	Low	11 Å²	11	35.1 Å²	35.1	9%	0.091	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	124.9	177.3	0	0	0	0	0	110.4	L557 V587 C588 A589 S593 M778	L557-A591 HydrophobicContact CD1-CB 3.8Å; V587-A591 PolarHBondContact O-N 2.88Å; C588-A591 WeakPolarHBondContact O-CB 3.3Å; C588-A591 PolarHBondContact O-N 3.47Å; A589-A591 VanDerWaalsContact C-N 3.31Å; A589-A591 PolarHBondContact O-N 2.99Å; A591-S593 VanDerWaalsContact C-N 3.32Å; A591-S593 PolarHBondContact O-N 2.87Å; A591-M778 HydrophobicContact CB-CE 4.43Å; A591-M778 HydrophobicContact CB-SD 4.49Å
592	G	61	Low	67.5	Low	26 Å²	26	35.2 Å²	35.2	27%	0.268	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	79	-3.3	175.3	0	0	0	0	0	117.1	Y590 G594 L649	Y590-G592 PolarHBondContact O-N 2.82Å; G592-G594 VanDerWaalsContact C-N 3.3Å; G592-G594 PolarHBondContact O-N 3.21Å; G592-L649 PolarHBondContact N-O 3.34Å
593	S	63.2	Low	67.3	Low	35 Å²	35	36 Å²	36	25%	0.245	20%	0.198	C	C	.	.	S	Bend	trans	-82.5	-2.4	-179.5	65.4	0	0	0	0	114.5	Y590 A591 N595	Y590-S593 PolarHBondContact O-N 3.46Å; Y590-S593 PolarHBondContact O-OG 3.36Å; A591-S593 VanDerWaalsContact C-N 3.32Å; A591-S593 PolarHBondContact O-N 2.87Å; S593-N595 PolarHBondContact O-N 3.46Å
594	G	61.2	Low	67.4	Low	10 Å²	10	40.6 Å²	40.6	10%	0.103	22%	0.218	C	C	.	.			trans	64.7	8.3	176.6	0	0	0	0	0	115	G592 V596	G592-G594 VanDerWaalsContact C-N 3.3Å; G592-G594 PolarHBondContact O-N 3.21Å; G594-V596 PolarHBondContact O-N 2.95Å
595	N	65.6	Low	67.4	Low	50 Å²	50	42.7 Å²	42.7	27%	0.267	23%	0.229	S	C	.	.			trans	-64.1	106.3	-169.3	-169.5	-20.4	0	0	0	112.8	S593 L597 K598 V599	S593-N595 PolarHBondContact O-N 3.46Å; N595-L597 VanDerWaalsContact C-N 3.29Å; N595-L597 PolarHBondContact O-N 3.4Å; N595-L597 WeakPolarHBondContact OD1-CB 3.4Å; N595-L597 PolarHBondContact OD1-N 3.39Å; N595-K598 HydrophobicContact CB-CB 4.46Å; N595-K598 HydrophobicContact CB-CG 4.5Å; N595-K598 PolarHBondContact O-N 3.32Å; N595-V599 PolarHBondContact O-N 2.92Å
596	V	65.8	Low	66.9	Low	88 Å²	88	43.3 Å²	43.3	53%	0.533	23%	0.233	S	C	.	.	H	α-helix	trans	-64.3	-31.6	-176.5	-175	0	0	0	0	112.2	G594 K598 V599 Q600	G594-V596 PolarHBondContact O-N 2.95Å; V596-K598 VanDerWaalsContact C-N 3.35Å; V596-K598 PolarHBondContact O-N 2.96Å; V596-V599 PolarHBondContact O-N 3.47Å; V596-Q600 HydrophobicContact CG1-CG 4.4Å; V596-Q600 VanDerWaalsContact O-CG 3.3Å; V596-Q600 WeakPolarHBondContact O-CG 3.07Å; V596-Q600 PolarHBondContact O-N 3.3Å
597	L	70.4	Confident	66.3	Low	113 Å²	113	45.5 Å²	45.5	59%	0.592	25%	0.25	S	S	*	.	H	α-helix	trans	-64.6	-41.3	178.8	-73.8	157.5	0	0	0	111.2	N595 Q600 Q601	N595-L597 VanDerWaalsContact C-N 3.29Å; N595-L597 PolarHBondContact O-N 3.4Å; N595-L597 WeakPolarHBondContact OD1-CB 3.4Å; N595-L597 PolarHBondContact OD1-N 3.39Å; L597-Q600 PolarHBondContact O-N 3.38Å; L597-Q601 WeakPolarHBondContact O-CG 3.49Å; L597-Q601 PolarHBondContact O-N 3.18Å
598	K	68.9	Low	65.9	Low	35 Å²	35	49 Å²	49	15%	0.152	27%	0.267	C	S	.	.	H	α-helix	trans	-69.4	-40.5	176.9	-72.2	-74.3	177.7	165	0	111.4	D586 Y590 N595 V596 Q600 Q601 L602 I650	D586-K598 IonicContact OD1-NZ 3.64Å; D586-K598 PolarHBondContact OD1-NZ 3.19Å; D586-K598 IonicContact OD2-NZ 3.58Å; D586-K598 PolarHBondContact OD2-NZ 3.31Å; Y590-K598 HydrophobicContact CD2-CD 3.86Å; Y590-K598 HydrophobicContact CD2-CG 3.91Å; Y590-K598 HydrophobicContact CE2-CD 3.85Å; Y590-K598 HydrophobicContact CE2-CG 4.18Å; Y590-K598 HydrophobicContact CG-CG 4.27Å; N595-K598 HydrophobicContact CB-CB 4.46Å; N595-K598 HydrophobicContact CB-CG 4.5Å; N595-K598 PolarHBondContact O-N 3.32Å; V596-K598 VanDerWaalsContact C-N 3.35Å; V596-K598 PolarHBondContact O-N 2.96Å; K598-Q600 VanDerWaalsContact C-N 3.3Å; K598-Q600 PolarHBondContact O-N 3.39Å; K598-Q601 PolarHBondContact O-N 3.16Å; K598-L602 VanDerWaalsContact O-CG 3.29Å; K598-L602 WeakPolarHBondContact O-CG 3.39Å; K598-L602 PolarHBondContact O-N 3.1Å; K598-I650 HydrophobicContact CB-CD1 4.31Å
599	V	69.3	Low	65.1	Low	28 Å²	28	54.5 Å²	54.5	17%	0.17	29%	0.292	C	S	.	.	H	α-helix	trans	-59.4	-41.1	172.2	177	0	0	0	0	111.3	N595 V596 L602 L603 I647 I650	N595-V599 PolarHBondContact O-N 2.92Å; V596-V599 PolarHBondContact O-N 3.47Å; V599-L602 PolarHBondContact O-N 3.4Å; V599-L603 HydrophobicContact CG1-CD1 3.93Å; V599-L603 HydrophobicContact CG1-CG 4.34Å; V599-L603 WeakPolarHBondContact O-CB 3.39Å; V599-L603 VanDerWaalsContact O-CG 3.25Å; V599-L603 WeakPolarHBondContact O-CG 3.3Å; V599-L603 PolarHBondContact O-N 3.24Å; V599-I647 HydrophobicContact CG1-CG2 4.24Å; V599-I650 HydrophobicContact CG2-CB 4.06Å; V599-I650 HydrophobicContact CG2-CD1 4.34Å; V599-I650 HydrophobicContact CG2-CG2 3.63Å
600	Q	69.8	Low	64	Low	116 Å²	116	62.4 Å²	62.4	54%	0.542	32%	0.323	S	S	.	.	H	α-helix	trans	-64.3	-42.5	176	-74.5	176.1	6.6	0	0	112.5	V596 L597 K598 L603 H604	V596-Q600 HydrophobicContact CG1-CG 4.4Å; V596-Q600 VanDerWaalsContact O-CG 3.3Å; V596-Q600 WeakPolarHBondContact O-CG 3.07Å; V596-Q600 PolarHBondContact O-N 3.3Å; L597-Q600 PolarHBondContact O-N 3.38Å; K598-Q600 VanDerWaalsContact C-N 3.3Å; K598-Q600 PolarHBondContact O-N 3.39Å; Q600-L603 PolarHBondContact O-N 2.74Å; Q600-H604 PolarHBondContact O-N 3.22Å
601	Q	71.3	Confident	62.3	Low	102 Å²	102	68.7 Å²	68.7	48%	0.477	35%	0.354	S	S	.	.	H	α-helix	trans	-61.7	-44.3	175.2	-71.7	174.2	1.2	0	0	111.5	L597 K598 L603 H604 I605	L597-Q601 WeakPolarHBondContact O-CG 3.49Å; L597-Q601 PolarHBondContact O-N 3.18Å; K598-Q601 PolarHBondContact O-N 3.16Å; Q601-L603 VanDerWaalsContact C-N 3.35Å; Q601-L603 PolarHBondContact O-N 3Å; Q601-H604 WeakPolarHBondContact O-CB 3.49Å; Q601-H604 PolarHBondContact O-N 3.48Å; Q601-I605 WeakPolarHBondContact O-CG1 3.45Å; Q601-I605 PolarHBondContact O-N 3.08Å
602	L	68.7	Low	60.9	Low	5 Å²	5	72.5 Å²	72.5	3%	0.026	39%	0.385	C	S	.	.	H	α-helix	trans	-65.5	-37.2	176.4	-67.5	168.7	0	0	0	112.1	V587 K598 V599 I605 C606 A643 I647 I650	V587-L602 HydrophobicContact CG2-CD1 3.76Å; V587-L602 HydrophobicContact CG2-CD2 3.87Å; V587-L602 HydrophobicContact CG2-CG 4.48Å; K598-L602 VanDerWaalsContact O-CG 3.29Å; K598-L602 WeakPolarHBondContact O-CG 3.39Å; K598-L602 PolarHBondContact O-N 3.1Å; V599-L602 PolarHBondContact O-N 3.4Å; L602-I605 WeakPolarHBondContact O-CB 3.4Å; L602-I605 PolarHBondContact O-N 3.15Å; L602-C606 PolarHBondContact O-N 3.04Å; L602-C606 PolarHBondContact O-SG 3.34Å; L602-A643 HydrophobicContact CD2-CB 4.12Å; L602-I647 HydrophobicContact CB-CD1 4.28Å; L602-I647 HydrophobicContact CB-CG1 3.9Å; L602-I647 HydrophobicContact CD1-CG1 4.36Å; L602-I650 HydrophobicContact CD1-CD1 3.48Å; L602-I650 VanDerWaalsContact CD1-CD1 3.48Å
603	L	68.9	Low	59.5	Low	50 Å²	50	80.9 Å²	80.9	26%	0.262	41%	0.414	S	S	.	.	H	α-helix	trans	-67.7	-37.2	173.9	-75.9	170.6	0	0	0	112	V599 Q600 Q601 C606 S607 I647 A664 L668	V599-L603 HydrophobicContact CG1-CD1 3.93Å; V599-L603 HydrophobicContact CG1-CG 4.34Å; V599-L603 WeakPolarHBondContact O-CB 3.39Å; V599-L603 VanDerWaalsContact O-CG 3.25Å; V599-L603 WeakPolarHBondContact O-CG 3.3Å; V599-L603 PolarHBondContact O-N 3.24Å; Q600-L603 PolarHBondContact O-N 2.74Å; Q601-L603 VanDerWaalsContact C-N 3.35Å; Q601-L603 PolarHBondContact O-N 3Å; L603-C606 CarbonylContact O-C 3.56Å; L603-C606 PolarHBondContact O-N 3.49Å; L603-S607 WeakPolarHBondContact O-CB 3.41Å; L603-S607 PolarHBondContact O-N 2.9Å; L603-S607 PolarHBondContact O-OG 3.35Å; L603-I647 HydrophobicContact CD2-CD1 3.58Å; L603-I647 HydrophobicContact CG-CD1 3.9Å; L603-A664 HydrophobicContact CD2-CB 4.22Å; L603-L668 HydrophobicContact CD2-CD1 3.94Å
604	H	73.8	Confident	58	Low	108 Å²	108	87.9 Å²	87.9	50%	0.5	44%	0.443	S	S	.	.	H	α-helix	trans	-60.5	-48.5	173.9	-169.8	-88.3	0	0	0	110.6	Q600 Q601 C606 S607 E608	Q600-H604 PolarHBondContact O-N 3.22Å; Q601-H604 WeakPolarHBondContact O-CB 3.49Å; Q601-H604 PolarHBondContact O-N 3.48Å; H604-C606 VanDerWaalsContact C-N 3.27Å; H604-C606 PolarHBondContact O-N 3.47Å; H604-S607 WeakPolarHBondContact CA-OG 3.37Å; H604-S607 CarbonylContact O-C 3.6Å; H604-S607 PolarHBondContact O-N 3.3Å; H604-S607 PolarHBondContact O-OG 3.16Å; H604-E608 IonicContact CE1-OE1 2.96Å; H604-E608 PolarHBondContact CE1-OE1 3.24Å; H604-E608 IonicContact ND1-OE1 3.6Å; H604-E608 PolarHBondContact ND1-OE1 2.75Å; H604-E608 PolarHBondContact O-N 2.77Å
605	I	68.2	Low	56.4	Low	49 Å²	49	97 Å²	97	25%	0.251	48%	0.479	S	S	.	.	H	α-helix	trans	-56.6	-40.7	173.6	-70.4	166.6	0	0	0	111.6	T583 Q601 L602 S607 H639 A643	T583-I605 HydrophobicContact CG2-CD1 4.39Å; Q601-I605 WeakPolarHBondContact O-CG1 3.45Å; Q601-I605 PolarHBondContact O-N 3.08Å; L602-I605 WeakPolarHBondContact O-CB 3.4Å; L602-I605 PolarHBondContact O-N 3.15Å; I605-S607 VanDerWaalsContact C-N 3.3Å; I605-S607 PolarHBondContact O-N 3.42Å; I605-H639 WeakPolarHBondContact CG2-CE1 3.17Å; I605-A643 HydrophobicContact CG2-CB 4.34Å
606	C	59.8	Low	54.7	Low	13 Å²	13	103 Å²	103	9%	0.088	51%	0.506	C	S	.	.	H	α-helix	trans	-72.5	-21.1	176.4	-65.7	0	0	0	0	113.6	L602 L603 H604 L668 L676	L602-C606 PolarHBondContact O-N 3.04Å; L602-C606 PolarHBondContact O-SG 3.34Å; L603-C606 CarbonylContact O-C 3.56Å; L603-C606 PolarHBondContact O-N 3.49Å; H604-C606 VanDerWaalsContact C-N 3.27Å; H604-C606 PolarHBondContact O-N 3.47Å; C606-L668 HydrophobicContact CB-CD2 4.06Å; C606-L676 HydrophobicContact CB-CD1 4.39Å
607	S	60.1	Low	52.8	Low	72 Å²	72	107.7 Å²	107.7	50%	0.503	52%	0.522	S	S	.	.	H	α-helix	trans	-93.7	-21	-178.8	73	0	0	0	0	114	L603 H604 I605 H609	L603-S607 WeakPolarHBondContact O-CB 3.41Å; L603-S607 PolarHBondContact O-N 2.9Å; L603-S607 PolarHBondContact O-OG 3.35Å; H604-S607 WeakPolarHBondContact CA-OG 3.37Å; H604-S607 CarbonylContact O-C 3.6Å; H604-S607 PolarHBondContact O-N 3.3Å; H604-S607 PolarHBondContact O-OG 3.16Å; I605-S607 VanDerWaalsContact C-N 3.3Å; I605-S607 PolarHBondContact O-N 3.42Å; S607-H609 PolarHBondContact O-N 3.39Å
608	E	58.9	Low	50.7	Low	76 Å²	76	111.5 Å²	111.5	36%	0.355	54%	0.537	S	S	.	.			trans	-66.6	96.8	171.6	-76.8	-173.8	175.6	0	0	109.7	H604 Y610	H604-E608 IonicContact CE1-OE1 2.96Å; H604-E608 PolarHBondContact CE1-OE1 3.24Å; H604-E608 IonicContact ND1-OE1 3.6Å; H604-E608 PolarHBondContact ND1-OE1 2.75Å; H604-E608 PolarHBondContact O-N 2.77Å; E608-Y610 HydrophobicContact CB-CD2 4.43Å; E608-Y610 HydrophobicContact CB-CE2 4.33Å; E608-Y610 PolarHBondContact O-N 2.9Å; E608-Y610 VanDerWaalsContact O-N 3.14Å; E608-Y610 WeakPolarHBondContact OE2-CE2 3.3Å
609	H	46.3	Very low	49	Very low	116 Å²	116	119.3 Å²	119.3	54%	0.537	57%	0.571	S	S	.	*			trans	-67.8	105.1	161.6	-69	-71.1	0	0	0	107.8	S607 E611 Y671	S607-H609 PolarHBondContact O-N 3.39Å; H609-E611 PolarHBondContact O-N 3.25Å; H609-Y671 PolarHBondContact CE1-O 3.18Å
610	Y	44	Very low	47.2	Very low	167 Å²	167	125.1 Å²	125.1	66%	0.655	60%	0.601	S	S	*	*			trans	-71.5	84.9	167.5	-92.6	-92.6	0	0	0	108.7	E608 A612	E608-Y610 HydrophobicContact CB-CD2 4.43Å; E608-Y610 HydrophobicContact CB-CE2 4.33Å; E608-Y610 PolarHBondContact O-N 2.9Å; E608-Y610 VanDerWaalsContact O-N 3.14Å; E608-Y610 WeakPolarHBondContact OE2-CE2 3.3Å; Y610-A612 PolarHBondContact O-N 2.96Å; Y610-A612 VanDerWaalsContact O-N 3.15Å
611	E	31	Very low	45.2	Very low	173 Å²	173	128.9 Å²	128.9	81%	0.808	62%	0.615	S	S	*	*			trans	-60.3	117.4	160.1	-74.1	-170.7	163.2	0	0	107.3	H609 K613	H609-E611 PolarHBondContact O-N 3.25Å; E611-K613 PolarHBondContact O-N 3.44Å
612	A	33.8	Very low	43.3	Very low	90 Å²	90	132.6 Å²	132.6	74%	0.744	63%	0.63	S	S	*	*			trans	-51.7	107.5	170.7	0	0	0	0	0	107.7	Y610 E614	Y610-A612 PolarHBondContact O-N 2.96Å; Y610-A612 VanDerWaalsContact O-N 3.15Å; A612-E614 VanDerWaalsContact C-N 3.33Å; A612-E614 PolarHBondContact O-N 3.35Å
613	K	30.1	Very low	41.4	Very low	203 Å²	203	139.4 Å²	139.4	88%	0.883	67%	0.666	S	S	*	*			trans	-54.2	102.1	172.7	-85	-177.8	176.1	171.2	0	108	E611 K615	E611-K613 PolarHBondContact O-N 3.44Å; K613-K615 PolarHBondContact O-N 3.41Å
614	E	32	Very low	39.5	Very low	181 Å²	181	145.8 Å²	145.8	85%	0.846	69%	0.692	S	S	*	*			trans	-58.7	104.4	168.1	-71.2	-172.8	146.2	0	0	107.3	A612	A612-E614 VanDerWaalsContact C-N 3.33Å; A612-E614 PolarHBondContact O-N 3.35Å
615	K	28.5	Very low	37.2	Very low	201 Å²	201	148 Å²	148	87%	0.874	70%	0.7	S	S	*	*			trans	-88.4	97.1	153.4	-74.1	-172.8	178	-179.8	0	106.5	K613 E617	K613-K615 PolarHBondContact O-N 3.41Å; K615-E617 PolarHBondContact O-N 3.12Å
616	E	28.8	Very low	35.2	Very low	178 Å²	178	150.9 Å²	150.9	83%	0.832	72%	0.716	S	S	*	*			trans	-52.2	114.9	155.8	-73.6	-174.7	131.1	0	0	108.5
617	E	26.3	Very low	33.7	Very low	185 Å²	185	157.3 Å²	157.3	86%	0.864	74%	0.743	S	S	*	*				173	144.3	116	-89.9	-176.4	169.3	0	0	111.7	K615	K615-E617 PolarHBondContact O-N 3.12Å
618	E	27.1	Very low	32.2	Very low	193 Å²	193	159 Å²	159	90%	0.902	75%	0.746	S	S	*	*			trans	79.8	98.7	173.9	-59.8	-157.5	147.4	0	0	120.6
619	K	32.5	Very low	30.7	Very low	200 Å²	200	162.5 Å²	162.5	87%	0.87	76%	0.76	S	S	*	*			trans	-65.4	120.1	163	-71.5	168.2	174.8	168.5	0	111
620	D	31.1	Very low	30	Very low	149 Å²	149	165.1 Å²	165.1	80%	0.797	77%	0.77	S	S	*	*				161.1	90	126.1	-86.7	-22.8	0	0	0	111.4
621	K	29.3	Very low	29.4	Very low	196 Å²	196	161.6 Å²	161.6	85%	0.852	76%	0.759	S	S	*	*			trans	-175.6	63.9	154.6	-103	164.8	-172.3	176	0	108.7	D623	K621-D623 PolarHBondContact O-N 3.09Å
622	K	30.2	Very low	29.4	Very low	179 Å²	179	156.7 Å²	156.7	78%	0.778	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	103.7	-179.3	-165.6	177.6	-175.5	-179.9	0	107.4
623	D	28.8	Very low	29.5	Very low	148 Å²	148	155.1 Å²	155.1	79%	0.791	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	161.5	-22.9	154.7	-81.1	-14.7	0	0	0	112.4	K621	K621-D623 PolarHBondContact O-N 3.09Å
624	K	28.5	Very low	30	Very low	185 Å²	185	147.9 Å²	147.9	80%	0.804	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97	-20.7	176.4	-153.6	172.9	-177	179.2	0	114.4
625	K	25.8	Very low	30.6	Very low	155 Å²	155	141.9 Å²	141.9	67%	0.674	68%	0.683	S	S	*	*	H	α-helix	trans	-89.2	-10.9	-174.9	-145.6	176.4	-175.5	-179.8	0	114.5
626	D	26.2	Very low	31.5	Very low	109 Å²	109	135.7 Å²	135.7	58%	0.583	66%	0.658	S	S	*	*	H	α-helix	trans	-82.3	-18.3	179.1	-104.2	-17.4	0	0	0	113.3
627	K	28.1	Very low	32.7	Very low	148 Å²	148	127.3 Å²	127.3	64%	0.643	62%	0.619	S	S	*	*	H	α-helix	trans	-78.6	-46.5	177	-152.4	-178.5	176.3	-169.4	0	111.2	K629 K630 E631	K627-K629 VanDerWaalsContact C-N 3.32Å; K627-K629 PolarHBondContact O-N 2.93Å; K627-K630 PolarHBondContact O-N 3.21Å; K627-E631 PolarHBondContact O-N 3.45Å
628	D	28.7	Very low	34.2	Very low	106 Å²	106	119.3 Å²	119.3	57%	0.567	58%	0.584	S	S	*	*	H	α-helix	trans	-66.7	-30.3	177.8	-60.4	-24.1	0	0	0	112.9	S632	D628-S632 PolarHBondContact O-N 3.4Å
629	K	27.9	Very low	35.9	Very low	151 Å²	151	111.4 Å²	111.4	66%	0.657	55%	0.547	S	S	*	.	H	α-helix	trans	-72	-30.3	176.5	-96.6	-173.1	173.1	-171.2	0	114	K627	K627-K629 VanDerWaalsContact C-N 3.32Å; K627-K629 PolarHBondContact O-N 2.93Å
630	K	30.6	Very low	37.4	Very low	170 Å²	170	102.8 Å²	102.8	74%	0.739	51%	0.51	S	S	*	.	H	α-helix	trans	-78	-31.2	176.9	-91.7	-178.2	175	176.9	0	112.6	K627 A634	K627-K630 PolarHBondContact O-N 3.21Å; K630-A634 PolarHBondContact O-N 2.85Å
631	E	32.5	Very low	39	Very low	93 Å²	93	95.7 Å²	95.7	44%	0.435	47%	0.472	S	S	.	.	H	α-helix	trans	-74	-40.9	-179.8	-72	172.8	-175	0	0	111.6	K627 A633 A634 D635	K627-E631 PolarHBondContact O-N 3.45Å; E631-A633 VanDerWaalsContact C-N 3.29Å; E631-A633 PolarHBondContact O-N 3.47Å; E631-A634 WeakPolarHBondContact O-CB 3.34Å; E631-A634 PolarHBondContact O-N 3.06Å; E631-D635 PolarHBondContact O-N 3.42Å
632	S	31.8	Very low	40.8	Very low	71 Å²	71	86.5 Å²	86.5	50%	0.497	43%	0.432	S	S	.	.	H	α-helix	trans	-61.2	-32.6	173.8	164.7	0	0	0	0	114.1	D628 M636	D628-S632 PolarHBondContact O-N 3.4Å; S632-M636 WeakPolarHBondContact O-CG 3.27Å; S632-M636 PolarHBondContact O-N 3.37Å
633	A	33.9	Very low	42.5	Very low	56 Å²	56	78 Å²	78	46%	0.463	40%	0.395	S	S	.	.	H	α-helix	trans	-74.5	-30.7	174	0	0	0	0	0	112.3	E631 G637	E631-A633 VanDerWaalsContact C-N 3.29Å; E631-A633 PolarHBondContact O-N 3.47Å; A633-G637 PolarHBondContact O-N 3.23Å
634	A	41.1	Very low	44.5	Very low	52 Å²	52	70.9 Å²	70.9	43%	0.43	36%	0.357	S	S	.	.	H	α-helix	trans	-71.6	-37.4	175.6	0	0	0	0	0	112.1	K630 E631 G637 S638	K630-A634 PolarHBondContact O-N 2.85Å; E631-A634 WeakPolarHBondContact O-CB 3.34Å; E631-A634 PolarHBondContact O-N 3.06Å; A634-G637 PolarHBondContact O-N 2.9Å; A634-S638 PolarHBondContact O-N 3.12Å
635	D	44	Very low	46.6	Very low	54 Å²	54	62.3 Å²	62.3	29%	0.289	32%	0.32	S	S	.	.	H	α-helix	trans	-71.4	-38.1	177.2	-66.7	-28.1	0	0	0	111.8	E631 S638	E631-D635 PolarHBondContact O-N 3.42Å; D635-S638 WeakPolarHBondContact O-CB 3.33Å; D635-S638 PolarHBondContact O-N 2.88Å; D635-S638 PolarHBondContact O-OG 2.92Å
636	M	47.7	Very low	48.5	Very low	71 Å²	71	55 Å²	55	35%	0.35	29%	0.288	S	S	.	.	H	α-helix	trans	-74	-26.1	173.8	-68.5	-67.5	-85.3	0	0	113	P576 S632 S638 H639 Q640	P576-M636 HydrophobicContact CB-CG 4.47Å; P576-M636 HydrophobicContact CB-SD 3.64Å; S632-M636 WeakPolarHBondContact O-CG 3.27Å; S632-M636 PolarHBondContact O-N 3.37Å; M636-S638 VanDerWaalsContact C-N 3.29Å; M636-S638 PolarHBondContact O-N 3.45Å; M636-H639 WeakPolarHBondContact O-CB 3.47Å; M636-H639 PolarHBondContact O-N 3.1Å; M636-Q640 PolarHBondContact O-N 3.01Å
637	G	55.3	Low	50.7	Low	2 Å²	2	49.8 Å²	49.8	2%	0.021	26%	0.261	C	S	.	.	H	α-helix	trans	-70.4	-23.5	169.4	0	0	0	0	0	113.7	A633 A634 Q640 G641	A633-G637 PolarHBondContact O-N 3.23Å; A634-G637 PolarHBondContact O-N 2.9Å; G637-Q640 PolarHBondContact O-N 2.91Å; G637-G641 PolarHBondContact O-N 3.39Å
638	S	57.7	Low	52.7	Low	17 Å²	17	42.8 Å²	42.8	12%	0.119	23%	0.23	C	C	.	.	H	α-helix	trans	-70.2	-33.2	173.7	79	0	0	0	0	112.3	F580 A634 D635 M636 G641 V642	F580-S638 WeakPolarHBondContact CD2-OG 3.46Å; A634-S638 PolarHBondContact O-N 3.12Å; D635-S638 WeakPolarHBondContact O-CB 3.33Å; D635-S638 PolarHBondContact O-N 2.88Å; D635-S638 PolarHBondContact O-OG 2.92Å; M636-S638 VanDerWaalsContact C-N 3.29Å; M636-S638 PolarHBondContact O-N 3.45Å; S638-G641 PolarHBondContact O-N 3.21Å; S638-V642 PolarHBondContact O-N 2.88Å
639	H	62.9	Low	54.5	Low	27 Å²	27	37.8 Å²	37.8	13%	0.125	20%	0.204	C	C	.	.	H	α-helix	trans	-61.3	-48	171.8	-176.1	-79.3	0	0	0	111.8	S579 F580 T583 I605 M636 G641 V642 A643	S579-H639 WeakPolarHBondContact CB-CD2 3.13Å; S579-H639 VanDerWaalsContact CB-NE2 3.28Å; S579-H639 WeakPolarHBondContact CB-NE2 3.33Å; S579-H639 PolarHBondContact O-CD2 3.47Å; S579-H639 VanDerWaalsContact O-CD2 3.27Å; S579-H639 PolarHBondContact O-NE2 2.95Å; F580-H639 PolarHBondContact N-CD2 3.29Å; T583-H639 VanDerWaalsContact CG2-NE2 3.34Å; T583-H639 WeakPolarHBondContact CG2-NE2 3.32Å; I605-H639 WeakPolarHBondContact CG2-CE1 3.17Å; M636-H639 WeakPolarHBondContact O-CB 3.47Å; M636-H639 PolarHBondContact O-N 3.1Å; H639-G641 VanDerWaalsContact C-N 3.32Å; H639-G641 PolarHBondContact O-N 2.89Å; H639-V642 PolarHBondContact O-N 3.46Å; H639-A643 WeakPolarHBondContact O-CB 3.34Å; H639-A643 PolarHBondContact O-N 3.46Å
640	Q	63	Low	56.5	Low	19 Å²	19	30.7 Å²	30.7	9%	0.089	17%	0.173	C	C	.	.	H	α-helix	trans	-65.4	-37.2	176.3	-66.9	178.9	-21.6	0	0	111.4	M636 G637 A643 V644 L676	M636-Q640 PolarHBondContact O-N 3.01Å; G637-Q640 PolarHBondContact O-N 2.91Å; Q640-A643 PolarHBondContact O-N 3.23Å; Q640-V644 WeakPolarHBondContact O-CG2 3.37Å; Q640-V644 PolarHBondContact O-N 2.91Å; Q640-L676 HydrophobicContact CB-CD1 3.96Å
641	G	65.1	Low	58.2	Low	1 Å²	1	23 Å²	23	1%	0.01	14%	0.14	C	C	.	.	H	α-helix	trans	-63	-40.6	174.8	0	0	0	0	0	113.6	G637 S638 H639 V644 L645	G637-G641 PolarHBondContact O-N 3.39Å; S638-G641 PolarHBondContact O-N 3.21Å; H639-G641 VanDerWaalsContact C-N 3.32Å; H639-G641 PolarHBondContact O-N 2.89Å; G641-V644 PolarHBondContact O-N 2.87Å; G641-L645 PolarHBondContact O-N 3.25Å; G641-L645 VanDerWaalsContact O-N 3.09Å
642	V	66.2	Low	59.7	Low	2 Å²	2	18.9 Å²	18.9	1%	0.012	12%	0.121	C	C	.	.	H	α-helix	trans	-69.6	-38.9	173.9	168	0	0	0	0	111.7	F580 L584 S638 H639 V644 L645 G646 L794	F580-V642 HydrophobicContact CD2-CG2 3.96Å; F580-V642 HydrophobicContact CE2-CB 4.2Å; F580-V642 HydrophobicContact CE2-CG2 3.22Å; F580-V642 HydrophobicContact CZ-CG2 3.68Å; L584-V642 HydrophobicContact CB-CG1 4Å; L584-V642 HydrophobicContact CD1-CG1 3.72Å; L584-V642 HydrophobicContact CG-CG1 4.44Å; S638-V642 PolarHBondContact O-N 2.88Å; H639-V642 PolarHBondContact O-N 3.46Å; V642-V644 VanDerWaalsContact C-N 3.29Å; V642-V644 PolarHBondContact O-N 3.2Å; V642-L645 PolarHBondContact O-N 2.85Å; V642-G646 PolarHBondContact O-N 3.13Å; V642-L794 HydrophobicContact CG2-CD1 3.88Å
643	A	66.1	Low	61	Low	0 Å²	0	16.7 Å²	16.7	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-60.7	-38.4	174.1	0	0	0	0	0	112.2	L602 I605 H639 Q640 G646 I647	L602-A643 HydrophobicContact CD2-CB 4.12Å; I605-A643 HydrophobicContact CG2-CB 4.34Å; H639-A643 WeakPolarHBondContact O-CB 3.34Å; H639-A643 PolarHBondContact O-N 3.46Å; Q640-A643 PolarHBondContact O-N 3.23Å; A643-G646 PolarHBondContact O-N 3.22Å; A643-I647 WeakPolarHBondContact O-CG1 3.21Å; A643-I647 PolarHBondContact O-N 3.39Å
644	V	71.8	Confident	62.5	Low	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-66.1	-44.5	174.2	178.1	0	0	0	0	111.9	Q640 G641 V642 G646 I647 A648 F665 L668 L676 A679 V680 A683	Q640-V644 WeakPolarHBondContact O-CG2 3.37Å; Q640-V644 PolarHBondContact O-N 2.91Å; G641-V644 PolarHBondContact O-N 2.87Å; V642-V644 VanDerWaalsContact C-N 3.29Å; V642-V644 PolarHBondContact O-N 3.2Å; V644-G646 PolarHBondContact O-N 3.21Å; V644-I647 PolarHBondContact O-N 3.37Å; V644-A648 PolarHBondContact O-N 2.75Å; V644-F665 HydrophobicContact CG1-CD1 4.13Å; V644-F665 HydrophobicContact CG1-CE1 3.65Å; V644-F665 HydrophobicContact CG1-CZ 4.21Å; V644-F665 WeakPolarHBondContact O-CZ 3.39Å; V644-L668 HydrophobicContact CG2-CD2 3.95Å; V644-L676 HydrophobicContact CG2-CD1 3.36Å; V644-L676 HydrophobicContact CG2-CG 3.82Å; V644-A679 HydrophobicContact CB-CB 4.31Å; V644-A679 HydrophobicContact CG1-CB 4.43Å; V644-V680 HydrophobicContact CG1-CB 4.47Å; V644-V680 HydrophobicContact CG1-CG2 3.79Å; V644-A683 HydrophobicContact CG1-CB 3.76Å
645	L	71.2	Confident	63.5	Low	5 Å²	5	19.2 Å²	19.2	3%	0.026	10%	0.104	C	C	.	.	H	α-helix	trans	-61.5	-34.2	172.9	-73.1	173.6	0	0	0	111.3	G641 V642 A648 L649 L682 A683 L794	G641-L645 PolarHBondContact O-N 3.25Å; G641-L645 VanDerWaalsContact O-N 3.09Å; V642-L645 PolarHBondContact O-N 2.85Å; L645-A648 WeakPolarHBondContact O-CB 3.42Å; L645-A648 PolarHBondContact O-N 2.83Å; L645-L649 PolarHBondContact O-N 2.92Å; L645-L682 HydrophobicContact CD2-CB 3.91Å; L645-A683 HydrophobicContact CD2-CB 4.29Å; L645-L794 HydrophobicContact CD1-CD1 3.9Å; L645-L794 HydrophobicContact CD1-CD2 4.05Å; L645-L794 HydrophobicContact CD1-CG 4.09Å
646	G	67.7	Low	64.7	Low	0 Å²	0	21 Å²	21	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-70.7	-37.5	177.9	0	0	0	0	0	114.7	V642 A643 V644 A648 L649 I650	V642-G646 PolarHBondContact O-N 3.13Å; A643-G646 PolarHBondContact O-N 3.22Å; V644-G646 PolarHBondContact O-N 3.21Å; G646-A648 PolarHBondContact O-N 3.21Å; G646-L649 PolarHBondContact O-N 3.18Å; G646-I650 VanDerWaalsContact O-CG1 3.3Å; G646-I650 WeakPolarHBondContact O-CG1 3.48Å; G646-I650 PolarHBondContact O-N 2.93Å
647	I	71.4	Confident	65.5	Low	1 Å²	1	18.3 Å²	18.3	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-58.5	-40.6	169.8	-67.4	161.2	0	0	0	110	V599 L602 L603 A643 V644 A651 A661 F665	V599-I647 HydrophobicContact CG1-CG2 4.24Å; L602-I647 HydrophobicContact CB-CD1 4.28Å; L602-I647 HydrophobicContact CB-CG1 3.9Å; L602-I647 HydrophobicContact CD1-CG1 4.36Å; L603-I647 HydrophobicContact CD2-CD1 3.58Å; L603-I647 HydrophobicContact CG-CD1 3.9Å; A643-I647 WeakPolarHBondContact O-CG1 3.21Å; A643-I647 PolarHBondContact O-N 3.39Å; V644-I647 PolarHBondContact O-N 3.37Å; I647-A651 WeakPolarHBondContact O-CB 3.37Å; I647-A651 PolarHBondContact O-N 3.19Å; I647-A661 HydrophobicContact CG2-CB 4.14Å; I647-F665 HydrophobicContact CB-CE1 4.02Å; I647-F665 HydrophobicContact CB-CZ 4.07Å; I647-F665 HydrophobicContact CD1-CE1 4.5Å; I647-F665 HydrophobicContact CG2-CE1 3.82Å; I647-F665 HydrophobicContact CG2-CZ 3.83Å
648	A	70	Confident	66.1	Low	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-65.1	-47.3	175	0	0	0	0	0	112.1	V644 L645 G646 I650 A651 M652 F665 A683 L686 I687	V644-A648 PolarHBondContact O-N 2.75Å; L645-A648 WeakPolarHBondContact O-CB 3.42Å; L645-A648 PolarHBondContact O-N 2.83Å; G646-A648 PolarHBondContact O-N 3.21Å; A648-I650 PolarHBondContact O-N 2.81Å; A648-A651 CarbonylContact O-C 3.58Å; A648-A651 PolarHBondContact O-N 3.38Å; A648-M652 VanDerWaalsContact O-CG 3.26Å; A648-M652 WeakPolarHBondContact O-CG 3.48Å; A648-M652 PolarHBondContact O-N 3.27Å; A648-F665 HydrophobicContact CB-CE2 4.27Å; A648-F665 HydrophobicContact CB-CZ 4.09Å; A648-A683 HydrophobicContact CB-CB 3.79Å; A648-A683 WeakPolarHBondContact CB-O 3.29Å; A648-L686 HydrophobicContact CB-CB 4.3Å; A648-L686 HydrophobicContact CB-CD2 4.14Å; A648-L686 HydrophobicContact CB-CG 4.41Å; A648-I687 HydrophobicContact CB-CD1 4.11Å; A648-I687 HydrophobicContact CB-CG1 3.69Å
649	L	67.6	Low	66.7	Low	2 Å²	2	21.9 Å²	21.9	1%	0.01	12%	0.117	C	C	.	.	H	α-helix	trans	-58.3	-43.6	178.4	-82.3	172.9	0	0	0	113.6	V587 G592 L645 G646 M652 L686 V783 L787	V587-L649 HydrophobicContact CG1-CB 4.26Å; V587-L649 HydrophobicContact CG1-CD1 3.59Å; G592-L649 PolarHBondContact N-O 3.34Å; L645-L649 PolarHBondContact O-N 2.92Å; G646-L649 PolarHBondContact O-N 3.18Å; L649-M652 HydrophobicContact CD2-SD 4.11Å; L649-M652 PolarHBondContact O-N 2.99Å; L649-L686 HydrophobicContact CD2-CD1 4.47Å; L649-L686 HydrophobicContact CD2-CD2 3.76Å; L649-L686 HydrophobicContact CD2-CG 4.48Å; L649-L686 HydrophobicContact CG-CD2 3.69Å; L649-V783 HydrophobicContact CD2-CG1 4.15Å; L649-L787 HydrophobicContact CD1-CD1 3.9Å; L649-L787 HydrophobicContact CD1-CD2 3.7Å; L649-L787 HydrophobicContact CD1-CG 4.4Å; L649-L787 HydrophobicContact CD2-CD1 4.05Å; L649-L787 HydrophobicContact CD2-CD2 3.92Å; L649-L787 HydrophobicContact CD2-CG 4.24Å; L649-L787 HydrophobicContact CG-CD2 4.07Å
650	I	68.4	Low	67.1	Low	2 Å²	2	26.2 Å²	26.2	1%	0.01	14%	0.139	C	C	.	.	H	α-helix	trans	-69.4	-39.9	178.9	-61.3	164.8	0	0	0	109.8	K598 V599 L602 G646 A648 M652	K598-I650 HydrophobicContact CB-CD1 4.31Å; V599-I650 HydrophobicContact CG2-CB 4.06Å; V599-I650 HydrophobicContact CG2-CD1 4.34Å; V599-I650 HydrophobicContact CG2-CG2 3.63Å; L602-I650 HydrophobicContact CD1-CD1 3.48Å; L602-I650 VanDerWaalsContact CD1-CD1 3.48Å; G646-I650 VanDerWaalsContact O-CG1 3.3Å; G646-I650 WeakPolarHBondContact O-CG1 3.48Å; G646-I650 PolarHBondContact O-N 2.93Å; A648-I650 PolarHBondContact O-N 2.81Å; I650-M652 VanDerWaalsContact C-N 3.29Å; I650-M652 PolarHBondContact O-N 3.39Å
651	A	67.7	Low	67.4	Low	7 Å²	7	25.7 Å²	25.7	6%	0.058	14%	0.138	C	C	.	.	H	α-helix	trans	-76.8	-7.4	-179.8	0	0	0	0	0	114.7	I647 A648 G653 E654 S658 A661	I647-A651 WeakPolarHBondContact O-CB 3.37Å; I647-A651 PolarHBondContact O-N 3.19Å; A648-A651 CarbonylContact O-C 3.58Å; A648-A651 PolarHBondContact O-N 3.38Å; A651-G653 VanDerWaalsContact C-N 3.27Å; A651-G653 PolarHBondContact O-N 2.92Å; A651-E654 VanDerWaalsContact O-O 3.12Å; A651-S658 PolarHBondContact O-N 3.17Å; A651-A661 HydrophobicContact CB-CB 3.77Å
652	M	63.3	Low	67.8	Low	7 Å²	7	27.7 Å²	27.7	3%	0.034	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-26.7	177.8	-83.2	175.1	86	0	0	113	A648 L649 I650 E654 L686 P770 Y771	A648-M652 VanDerWaalsContact O-CG 3.26Å; A648-M652 WeakPolarHBondContact O-CG 3.48Å; A648-M652 PolarHBondContact O-N 3.27Å; L649-M652 HydrophobicContact CD2-SD 4.11Å; L649-M652 PolarHBondContact O-N 2.99Å; I650-M652 VanDerWaalsContact C-N 3.29Å; I650-M652 PolarHBondContact O-N 3.39Å; M652-E654 VanDerWaalsContact C-N 3.35Å; M652-L686 HydrophobicContact CE-CD1 3.83Å; M652-L686 HydrophobicContact CE-CG 4.36Å; M652-L686 VanDerWaalsContact CE-O 3.24Å; M652-L686 WeakPolarHBondContact CE-O 3.11Å; M652-L686 HydrophobicContact CG-CG 4.5Å; M652-L686 HydrophobicContact SD-CD1 3.46Å; M652-L686 WeakPolarHBondContact SD-CD1 3.34Å; M652-L686 HydrophobicContact SD-CD2 4.24Å; M652-L686 HydrophobicContact SD-CG 3.47Å; M652-L686 WeakPolarHBondContact SD-CG 3.44Å; M652-P770 HydrophobicContact CE-CG 3.47Å; M652-P770 VanDerWaalsContact CE-CG 3.47Å; M652-Y771 HydrophobicContact CB-CE2 3.87Å; M652-Y771 VanDerWaalsContact CB-OH 3.3Å; M652-Y771 WeakPolarHBondContact CB-OH 2.91Å; M652-Y771 HydrophobicContact CE-CD2 4.36Å; M652-Y771 HydrophobicContact CE-CE2 3.73Å; M652-Y771 PolarHBondContact O-OH 3.09Å
653	G	58.7	Low	68.1	Low	26 Å²	26	35.7 Å²	35.7	27%	0.268	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-22.7	-178	0	0	0	0	0	114.4	A651 Y771	A651-G653 VanDerWaalsContact C-N 3.27Å; A651-G653 PolarHBondContact O-N 2.92Å; G653-Y771 WeakPolarHBondContact CA-OH 3.4Å; G653-Y771 PolarHBondContact N-OH 2.9Å
654	E	64.8	Low	68.4	Low	44 Å²	44	36.7 Å²	36.7	21%	0.206	19%	0.186	C	C	.	.			trans	-128.5	138.3	-174.3	-68.6	-178.4	-170.5	0	0	112.9	A651 M652 I656 S658	A651-E654 VanDerWaalsContact O-O 3.12Å; M652-E654 VanDerWaalsContact C-N 3.35Å; E654-I656 PolarHBondContact O-N 3.4Å; E654-S658 WeakPolarHBondContact O-CB 3.09Å; E654-S658 PolarHBondContact O-N 3.38Å
655	E	63	Low	68.5	Low	116 Å²	116	36.7 Å²	36.7	54%	0.542	19%	0.186	S	C	.	.	H	α-helix	trans	-65.5	-41.1	175.3	-54.1	-146	132.3	0	0	111.9	S658 E659 R775	E655-S658 PolarHBondContact O-N 2.86Å; E655-S658 PolarHBondContact O-OG 2.98Å; E655-E659 PolarHBondContact O-N 3.44Å; E655-E659 VanDerWaalsContact O-N 3.1Å; E655-R775 IonicContact OE1-NH1 3.05Å; E655-R775 PolarHBondContact OE1-NH1 3.29Å
656	I	69.3	Low	68.5	Low	92 Å²	92	37.9 Å²	37.9	47%	0.472	20%	0.199	S	C	.	.	H	α-helix	trans	-67.2	-47	179.7	-57.5	172.8	0	0	0	109.8	E654 S658 E659 M660	E654-I656 PolarHBondContact O-N 3.4Å; I656-S658 VanDerWaalsContact C-N 3.29Å; I656-S658 PolarHBondContact O-N 3.44Å; I656-E659 PolarHBondContact O-N 2.8Å; I656-M660 HydrophobicContact CG2-CE 3.67Å; I656-M660 HydrophobicContact CG2-SD 4.35Å; I656-M660 WeakPolarHBondContact O-CG 3.41Å; I656-M660 PolarHBondContact O-N 2.94Å
657	G	65.2	Low	68.7	Low	15 Å²	15	43.6 Å²	43.6	16%	0.155	23%	0.226	C	C	.	.	H	α-helix	trans	-55.9	-43.5	173.5	0	0	0	0	0	112.2	E659 M660 A661	G657-E659 PolarHBondContact O-N 2.79Å; G657-M660 PolarHBondContact O-N 2.85Å; G657-A661 VanDerWaalsContact O-CB 3.29Å; G657-A661 WeakPolarHBondContact O-CB 3.23Å; G657-A661 PolarHBondContact O-N 3.47Å
658	S	66.3	Low	68.5	Low	1 Å²	1	44.7 Å²	44.7	1%	0.007	23%	0.232	C	C	.	.	H	α-helix	trans	-60.9	-42	177	80.2	0	0	0	0	112.7	A651 E654 E655 I656 A661 L662	A651-S658 PolarHBondContact O-N 3.17Å; E654-S658 WeakPolarHBondContact O-CB 3.09Å; E654-S658 PolarHBondContact O-N 3.38Å; E655-S658 PolarHBondContact O-N 2.86Å; E655-S658 PolarHBondContact O-OG 2.98Å; I656-S658 VanDerWaalsContact C-N 3.29Å; I656-S658 PolarHBondContact O-N 3.44Å; S658-A661 PolarHBondContact O-N 3.11Å; S658-L662 VanDerWaalsContact O-CG 3.27Å; S658-L662 WeakPolarHBondContact O-CG 3.43Å; S658-L662 PolarHBondContact O-N 2.97Å
659	E	70.5	Confident	68.4	Low	93 Å²	93	46.1 Å²	46.1	44%	0.435	24%	0.239	S	C	.	.	H	α-helix	trans	-70.8	-37.3	177.3	-70.6	-163.7	170.1	0	0	113	E655 I656 G657 L662 R663 R693	E655-E659 PolarHBondContact O-N 3.44Å; E655-E659 VanDerWaalsContact O-N 3.1Å; I656-E659 PolarHBondContact O-N 2.8Å; G657-E659 PolarHBondContact O-N 2.79Å; E659-L662 PolarHBondContact O-N 3.17Å; E659-R663 PolarHBondContact O-N 3.41Å; E659-R693 IonicContact OE1-NH1 2.68Å
660	M	71.1	Confident	68.5	Low	118 Å²	118	55.7 Å²	55.7	58%	0.581	28%	0.275	S	S	*	.	H	α-helix	trans	-64.7	-43.7	173.9	-70.3	-172.6	-178.6	0	0	111.1	I656 G657 L662 R663 A664	I656-M660 HydrophobicContact CG2-CE 3.67Å; I656-M660 HydrophobicContact CG2-SD 4.35Å; I656-M660 WeakPolarHBondContact O-CG 3.41Å; I656-M660 PolarHBondContact O-N 2.94Å; G657-M660 PolarHBondContact O-N 2.85Å; M660-L662 VanDerWaalsContact C-N 3.35Å; M660-L662 PolarHBondContact O-N 3.26Å; M660-R663 PolarHBondContact O-N 3.36Å; M660-R663 VanDerWaalsContact O-N 3.16Å; M660-A664 PolarHBondContact O-N 3.3Å
661	A	69.8	Low	68.3	Low	7 Å²	7	63.5 Å²	63.5	6%	0.058	31%	0.305	C	S	.	.	H	α-helix	trans	-61.4	-40.8	175.7	0	0	0	0	0	111.8	I647 A651 G657 S658 R663 A664 F665 I687	I647-A661 HydrophobicContact CG2-CB 4.14Å; A651-A661 HydrophobicContact CB-CB 3.77Å; G657-A661 VanDerWaalsContact O-CB 3.29Å; G657-A661 WeakPolarHBondContact O-CB 3.23Å; G657-A661 PolarHBondContact O-N 3.47Å; S658-A661 PolarHBondContact O-N 3.11Å; A661-R663 VanDerWaalsContact C-N 3.3Å; A661-R663 PolarHBondContact O-N 3.11Å; A661-A664 PolarHBondContact O-N 2.64Å; A661-F665 HydrophobicContact CB-CE2 4.35Å; A661-F665 WeakPolarHBondContact O-CB 3.49Å; A661-F665 WeakPolarHBondContact O-CD2 3.22Å; A661-F665 WeakPolarHBondContact O-CG 3.32Å; A661-F665 PolarHBondContact O-N 2.92Å; A661-I687 HydrophobicContact CB-CD1 3.76Å
662	L	72.9	Confident	68	Low	44 Å²	44	63.8 Å²	63.8	23%	0.23	31%	0.309	C	S	.	.	H	α-helix	trans	-57.7	-40.5	173.9	-73.3	176.5	0	0	0	112.5	S658 E659 M660 G666 L684 I696	S658-L662 VanDerWaalsContact O-CG 3.27Å; S658-L662 WeakPolarHBondContact O-CG 3.43Å; S658-L662 PolarHBondContact O-N 2.97Å; E659-L662 PolarHBondContact O-N 3.17Å; M660-L662 VanDerWaalsContact C-N 3.35Å; M660-L662 PolarHBondContact O-N 3.26Å; L662-G666 PolarHBondContact O-N 3.4Å; L662-L684 HydrophobicContact CD2-CD2 3.23Å; L662-I696 HydrophobicContact CD1-CD1 4.14Å; L662-I696 HydrophobicContact CD1-CG1 4.32Å; L662-I696 HydrophobicContact CD2-CD1 4.01Å; L662-I696 HydrophobicContact CD2-CG1 4.07Å
663	R	73.9	Confident	68.1	Low	170 Å²	170	66.9 Å²	66.9	64%	0.642	32%	0.323	S	S	*	.	H	α-helix	trans	-69.4	-44.4	176.1	-66.6	-179.8	-168.2	152.9	8.6	111.4	E659 M660 A661 F665 G666 H667	E659-R663 PolarHBondContact O-N 3.41Å; M660-R663 PolarHBondContact O-N 3.36Å; M660-R663 VanDerWaalsContact O-N 3.16Å; A661-R663 VanDerWaalsContact C-N 3.3Å; A661-R663 PolarHBondContact O-N 3.11Å; R663-F665 VanDerWaalsContact C-N 3.35Å; R663-F665 PolarHBondContact O-N 3.32Å; R663-G666 WeakPolarHBondContact O-CA 3.46Å; R663-G666 PolarHBondContact O-N 2.68Å; R663-G666 VanDerWaalsContact O-N 3.1Å; R663-H667 PolarHBondContact O-CD2 3.37Å; R663-H667 PolarHBondContact O-N 3.37Å
664	A	72.8	Confident	68.5	Low	21 Å²	21	68.6 Å²	68.6	17%	0.174	33%	0.33	C	S	.	.	H	α-helix	trans	-59.9	-44.8	177.5	0	0	0	0	0	111.4	L603 M660 A661 G666 H667 L668	L603-A664 HydrophobicContact CD2-CB 4.22Å; M660-A664 PolarHBondContact O-N 3.3Å; A661-A664 PolarHBondContact O-N 2.64Å; A664-G666 VanDerWaalsContact C-N 3.26Å; A664-G666 PolarHBondContact O-N 2.92Å; A664-H667 WeakPolarHBondContact O-CA 3.3Å; A664-H667 WeakPolarHBondContact O-CB 3.05Å; A664-H667 PolarHBondContact O-N 3.36Å; A664-L668 WeakPolarHBondContact O-CD1 3.46Å; A664-L668 PolarHBondContact O-N 3.45Å
665	F	72.6	Confident	68.6	Low	0 Å²	0	68 Å²	68	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-59.3	-35.6	173.9	-68.4	-25	0	0	0	112.7	V644 I647 A648 A661 R663 H667 L668 L669 V680 A683 L684 I687	V644-F665 HydrophobicContact CG1-CD1 4.13Å; V644-F665 HydrophobicContact CG1-CE1 3.65Å; V644-F665 HydrophobicContact CG1-CZ 4.21Å; V644-F665 WeakPolarHBondContact O-CZ 3.39Å; I647-F665 HydrophobicContact CB-CE1 4.02Å; I647-F665 HydrophobicContact CB-CZ 4.07Å; I647-F665 HydrophobicContact CD1-CE1 4.5Å; I647-F665 HydrophobicContact CG2-CE1 3.82Å; I647-F665 HydrophobicContact CG2-CZ 3.83Å; A648-F665 HydrophobicContact CB-CE2 4.27Å; A648-F665 HydrophobicContact CB-CZ 4.09Å; A661-F665 HydrophobicContact CB-CE2 4.35Å; A661-F665 WeakPolarHBondContact O-CB 3.49Å; A661-F665 WeakPolarHBondContact O-CD2 3.22Å; A661-F665 WeakPolarHBondContact O-CG 3.32Å; A661-F665 PolarHBondContact O-N 2.92Å; R663-F665 VanDerWaalsContact C-N 3.35Å; R663-F665 PolarHBondContact O-N 3.32Å; F665-H667 VanDerWaalsContact C-N 3.29Å; F665-H667 PolarHBondContact O-N 3.29Å; F665-L668 HydrophobicContact CD1-CD2 4.35Å; F665-L668 PolarHBondContact O-N 2.91Å; F665-L669 WeakPolarHBondContact O-CB 3.33Å; F665-L669 VanDerWaalsContact O-CD1 3.31Å; F665-L669 WeakPolarHBondContact O-CD1 3.36Å; F665-L669 WeakPolarHBondContact O-CG 3.28Å; F665-L669 PolarHBondContact O-N 3.05Å; F665-V680 HydrophobicContact CB-CG1 3.86Å; F665-V680 HydrophobicContact CG-CG1 4.19Å; F665-A683 HydrophobicContact CE1-CB 4.38Å; F665-A683 HydrophobicContact CE2-CB 3.77Å; F665-A683 HydrophobicContact CZ-CB 3.67Å; F665-L684 HydrophobicContact CB-CD2 4.47Å; F665-L684 HydrophobicContact CD2-CD2 3.83Å; F665-L684 HydrophobicContact CD2-CG 4.4Å; F665-I687 HydrophobicContact CD2-CD1 4.16Å; F665-I687 HydrophobicContact CE2-CD1 3.47Å; F665-I687 VanDerWaalsContact CE2-CD1 3.47Å; F665-I687 HydrophobicContact CZ-CD1 4.37Å
666	G	71.8	Confident	68.9	Low	29 Å²	29	62.7 Å²	62.7	30%	0.299	31%	0.305	S	S	.	.	H	α-helix	trans	-59.2	-35.7	171.5	0	0	0	0	0	114.1	L662 R663 A664 R670	L662-G666 PolarHBondContact O-N 3.4Å; R663-G666 WeakPolarHBondContact O-CA 3.46Å; R663-G666 PolarHBondContact O-N 2.68Å; R663-G666 VanDerWaalsContact O-N 3.1Å; A664-G666 VanDerWaalsContact C-N 3.26Å; A664-G666 PolarHBondContact O-N 2.92Å; G666-R670 WeakPolarHBondContact O-CG 3.29Å
667	H	71.4	Confident	68.9	Low	120 Å²	120	62.7 Å²	62.7	56%	0.556	30%	0.299	S	S	*	.	H	α-helix	trans	-76.9	-44.8	174.3	-75.4	-83	0	0	0	112	R663 A664 F665 L669 R670 Y671	R663-H667 PolarHBondContact O-CD2 3.37Å; R663-H667 PolarHBondContact O-N 3.37Å; A664-H667 WeakPolarHBondContact O-CA 3.3Å; A664-H667 WeakPolarHBondContact O-CB 3.05Å; A664-H667 PolarHBondContact O-N 3.36Å; F665-H667 VanDerWaalsContact C-N 3.29Å; F665-H667 PolarHBondContact O-N 3.29Å; H667-L669 PolarHBondContact O-N 2.81Å; H667-R670 PolarHBondContact O-N 2.98Å; H667-R670 VanDerWaalsContact O-N 3.08Å; H667-Y671 WeakPolarHBondContact O-CD2 3.44Å; H667-Y671 PolarHBondContact O-N 2.96Å
668	L	67.9	Low	69.3	Low	24 Å²	24	65 Å²	65	13%	0.126	30%	0.303	C	S	.	.	H	α-helix	trans	-56.9	-37.5	175.6	-92.6	72.1	0	0	0	111.5	L603 C606 V644 A664 F665 R670 G672 L676	L603-L668 HydrophobicContact CD2-CD1 3.94Å; C606-L668 HydrophobicContact CB-CD2 4.06Å; V644-L668 HydrophobicContact CG2-CD2 3.95Å; A664-L668 WeakPolarHBondContact O-CD1 3.46Å; A664-L668 PolarHBondContact O-N 3.45Å; F665-L668 HydrophobicContact CD1-CD2 4.35Å; F665-L668 PolarHBondContact O-N 2.91Å; L668-R670 PolarHBondContact O-N 2.9Å; L668-G672 WeakPolarHBondContact O-CA 3.5Å; L668-G672 PolarHBondContact O-N 3.32Å; L668-L676 HydrophobicContact CB-CD2 3.58Å; L668-L676 HydrophobicContact CD2-CD1 4.37Å; L668-L676 HydrophobicContact CD2-CD2 3.98Å; L668-L676 HydrophobicContact CD2-CG 4.47Å; L668-L676 HydrophobicContact CG-CD2 3.76Å; L668-L676 VanDerWaalsContact O-CD2 3.32Å; L668-L676 WeakPolarHBondContact O-CD2 3.09Å
669	L	67.2	Low	69.5	Low	30 Å²	30	65 Å²	65	16%	0.157	30%	0.303	C	S	.	.	H	α-helix	trans	-66.8	-32.1	176.9	-77.5	162.3	0	0	0	114.3	F665 H667 V680 F703	F665-L669 WeakPolarHBondContact O-CB 3.33Å; F665-L669 VanDerWaalsContact O-CD1 3.31Å; F665-L669 WeakPolarHBondContact O-CD1 3.36Å; F665-L669 WeakPolarHBondContact O-CG 3.28Å; F665-L669 PolarHBondContact O-N 3.05Å; H667-L669 PolarHBondContact O-N 2.81Å; L669-V680 HydrophobicContact CD1-CG1 3.58Å; L669-V680 HydrophobicContact CD2-CB 3.67Å; L669-V680 HydrophobicContact CD2-CG1 3.67Å; L669-V680 HydrophobicContact CD2-CG2 4.09Å; L669-V680 HydrophobicContact CG-CB 4Å; L669-V680 HydrophobicContact CG-CG1 3.56Å; L669-V680 HydrophobicContact CG-CG2 4.13Å; L669-F703 HydrophobicContact CD1-CE1 4.37Å; L669-F703 HydrophobicContact CD1-CE2 3.75Å; L669-F703 HydrophobicContact CD1-CZ 3.49Å; L669-F703 VanDerWaalsContact CD1-CZ 3.49Å; L669-F703 HydrophobicContact CD2-CE1 4.4Å; L669-F703 HydrophobicContact CD2-CE2 4.47Å; L669-F703 HydrophobicContact CD2-CZ 4.21Å; L669-F703 HydrophobicContact CG-CZ 4.37Å
670	R	69.9	Low	69.7	Low	203 Å²	203	60.6 Å²	60.6	77%	0.766	28%	0.282	S	S	*	.	H	α-helix	trans	-81.7	-34.5	-177.8	-71.1	179.1	-175	-169.9	3.1	112.7	G666 H667 L668	G666-R670 WeakPolarHBondContact O-CG 3.29Å; H667-R670 PolarHBondContact O-N 2.98Å; H667-R670 VanDerWaalsContact O-N 3.08Å; L668-R670 PolarHBondContact O-N 2.9Å
671	Y	65	Low	69.9	Low	166 Å²	166	55 Å²	55	65%	0.651	25%	0.254	S	S	*	.	H	α-helix	trans	-112.5	-7.5	-172.3	-63.1	-76.7	0	0	0	113.7	H609 H667	H609-Y671 PolarHBondContact CE1-O 3.18Å; H667-Y671 WeakPolarHBondContact O-CD2 3.44Å; H667-Y671 PolarHBondContact O-N 2.96Å
672	G	60.5	Low	70	Confident	13 Å²	13	54.7 Å²	54.7	13%	0.134	25%	0.252	C	S	.	.			trans	-80.5	153.5	-173.9	0	0	0	0	0	116.3	L668 R677	L668-G672 WeakPolarHBondContact O-CA 3.5Å; L668-G672 PolarHBondContact O-N 3.32Å; G672-R677 PolarHBondContact O-NE 3.26Å
673	E	66.3	Low	69.9	Low	72 Å²	72	52.6 Å²	52.6	34%	0.336	24%	0.241	S	C	.	.			trans	-59.3	160.2	171.4	-70	-164.7	171.1	0	0	112.6	T675 L676 R677	E673-T675 PolarHBondContact O-N 3Å; E673-L676 WeakPolarHBondContact O-CB 3.47Å; E673-L676 PolarHBondContact O-N 3.1Å; E673-L676 VanDerWaalsContact O-N 3.09Å; E673-R677 PolarHBondContact O-N 3.25Å
674	P	67.4	Low	69.9	Low	63 Å²	63	44.7 Å²	44.7	41%	0.409	21%	0.212	S	C	.	.	H	α-helix	trans	-54.3	-33.1	178	-25.9	34.5	0	0	0	114.2	R677 R678	P674-R677 PolarHBondContact O-N 2.7Å; P674-R678 WeakPolarHBondContact O-CD 3.29Å; P674-R678 VanDerWaalsContact O-CG 3.24Å; P674-R678 WeakPolarHBondContact O-CG 3.38Å; P674-R678 PolarHBondContact O-N 3.46Å; P674-R678 VanDerWaalsContact O-N 3.13Å
675	T	66.2	Low	69.9	Low	32 Å²	32	43.7 Å²	43.7	20%	0.196	20%	0.203	C	C	.	.	H	α-helix	trans	-66.4	-43.9	175.9	44.1	0	0	0	0	111.9	E673 R678 A679	E673-T675 PolarHBondContact O-N 3Å; T675-R678 WeakPolarHBondContact O-CB 3.4Å; T675-R678 PolarHBondContact O-N 3.38Å; T675-A679 PolarHBondContact O-N 3.4Å
676	L	69	Low	69.8	Low	3 Å²	3	43.8 Å²	43.8	2%	0.016	20%	0.204	C	C	.	.	H	α-helix	trans	-62.5	-43.3	173.5	-156.9	98.5	0	0	0	111.1	C606 Q640 V644 L668 E673 R678 A679 V680	C606-L676 HydrophobicContact CB-CD1 4.39Å; Q640-L676 HydrophobicContact CB-CD1 3.96Å; V644-L676 HydrophobicContact CG2-CD1 3.36Å; V644-L676 HydrophobicContact CG2-CG 3.82Å; L668-L676 HydrophobicContact CB-CD2 3.58Å; L668-L676 HydrophobicContact CD2-CD1 4.37Å; L668-L676 HydrophobicContact CD2-CD2 3.98Å; L668-L676 HydrophobicContact CD2-CG 4.47Å; L668-L676 HydrophobicContact CG-CD2 3.76Å; L668-L676 VanDerWaalsContact O-CD2 3.32Å; L668-L676 WeakPolarHBondContact O-CD2 3.09Å; E673-L676 WeakPolarHBondContact O-CB 3.47Å; E673-L676 PolarHBondContact O-N 3.1Å; E673-L676 VanDerWaalsContact O-N 3.09Å; L676-R678 PolarHBondContact O-N 3.06Å; L676-A679 PolarHBondContact O-N 3.11Å; L676-A679 VanDerWaalsContact O-N 3.1Å; L676-V680 WeakPolarHBondContact O-CG2 3.04Å; L676-V680 PolarHBondContact O-N 3.39Å
677	R	69.9	Low	69.8	Low	92 Å²	92	42.7 Å²	42.7	35%	0.347	19%	0.191	S	C	.	.	H	α-helix	trans	-62	-26.2	176.2	-74.7	-174.2	-86	158.1	-6.7	113.5	G672 E673 P674 P681 V711	G672-R677 PolarHBondContact O-NE 3.26Å; E673-R677 PolarHBondContact O-N 3.25Å; P674-R677 PolarHBondContact O-N 2.7Å; R677-P681 VanDerWaalsContact O-CD 3.24Å; R677-P681 WeakPolarHBondContact O-CD 3.46Å; R677-V711 HydrophobicContact CB-CG2 4.34Å
678	R	72.4	Confident	69.5	Low	65 Å²	65	37.1 Å²	37.1	25%	0.245	17%	0.166	C	C	.	.	H	α-helix	trans	-78.7	-32.2	173.6	-67.6	161.7	-168.8	-166	-10.5	113	P674 T675 L676 D708 E710 V711 N714	P674-R678 WeakPolarHBondContact O-CD 3.29Å; P674-R678 VanDerWaalsContact O-CG 3.24Å; P674-R678 WeakPolarHBondContact O-CG 3.38Å; P674-R678 PolarHBondContact O-N 3.46Å; P674-R678 VanDerWaalsContact O-N 3.13Å; T675-R678 WeakPolarHBondContact O-CB 3.4Å; T675-R678 PolarHBondContact O-N 3.38Å; L676-R678 PolarHBondContact O-N 3.06Å; R678-D708 IonicContact CZ-OD2 3.47Å; R678-D708 IonicContact NE-OD2 2.89Å; R678-D708 PolarHBondContact NE-OD2 3.1Å; R678-D708 VanDerWaalsContact NE-OD2 3.14Å; R678-D708 IonicContact NH2-OD1 3.25Å; R678-D708 IonicContact NH2-OD2 3.84Å; R678-D708 PolarHBondContact NH2-OD2 3.49Å; R678-E710 WeakPolarHBondContact CD-OE2 3.43Å; R678-E710 HydrophobicContact CG-CB 4.15Å; R678-E710 VanDerWaalsContact CZ-CD 3.49Å; R678-E710 IonicContact CZ-OE1 2.64Å; R678-E710 IonicContact CZ-OE2 2.86Å; R678-E710 IonicContact NE-OE2 3.57Å; R678-E710 PolarHBondContact NE-OE2 2.84Å; R678-E710 IonicContact NH1-OE1 3.45Å; R678-E710 IonicContact NH1-OE2 3.14Å; R678-E710 PolarHBondContact NH1-OE2 3.41Å; R678-E710 IonicContact NH2-OE1 3.38Å; R678-E710 IonicContact NH2-OE2 3.73Å; R678-V711 HydrophobicContact CG-CG2 3.63Å; R678-N714 PolarHBondContact O-ND2 3.18Å
679	A	70.6	Confident	69.6	Low	0 Å²	0	36.4 Å²	36.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-82.4	-32.5	-177.6	0	0	0	0	0	113.4	V644 T675 L676 L682 A683 L794	V644-A679 HydrophobicContact CB-CB 4.31Å; V644-A679 HydrophobicContact CG1-CB 4.43Å; T675-A679 PolarHBondContact O-N 3.4Å; L676-A679 PolarHBondContact O-N 3.11Å; L676-A679 VanDerWaalsContact O-N 3.1Å; A679-L682 WeakPolarHBondContact O-CB 3.19Å; A679-L682 PolarHBondContact O-N 2.79Å; A679-L682 VanDerWaalsContact O-N 3.11Å; A679-A683 PolarHBondContact O-N 3.38Å; A679-L794 HydrophobicContact CB-CD2 4.18Å
680	V	74.2	Confident	69.4	Low	0 Å²	0	35 Å²	35	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-58.8	-43.5	-176.5	173.6	0	0	0	0	113.9	V644 F665 L669 L676 L682 A683 L684	V644-V680 HydrophobicContact CG1-CB 4.47Å; V644-V680 HydrophobicContact CG1-CG2 3.79Å; F665-V680 HydrophobicContact CB-CG1 3.86Å; F665-V680 HydrophobicContact CG-CG1 4.19Å; L669-V680 HydrophobicContact CD1-CG1 3.58Å; L669-V680 HydrophobicContact CD2-CB 3.67Å; L669-V680 HydrophobicContact CD2-CG1 3.67Å; L669-V680 HydrophobicContact CD2-CG2 4.09Å; L669-V680 HydrophobicContact CG-CB 4Å; L669-V680 HydrophobicContact CG-CG1 3.56Å; L669-V680 HydrophobicContact CG-CG2 4.13Å; L676-V680 WeakPolarHBondContact O-CG2 3.04Å; L676-V680 PolarHBondContact O-N 3.39Å; V680-L682 PolarHBondContact O-N 3.24Å; V680-A683 PolarHBondContact O-N 2.93Å; V680-A683 VanDerWaalsContact O-N 3.16Å; V680-L684 HydrophobicContact CG1-CD1 4.15Å; V680-L684 HydrophobicContact CG1-CG 4.16Å; V680-L684 WeakPolarHBondContact O-CG 3.27Å; V680-L684 PolarHBondContact O-N 3.23Å
681	P	75.6	Confident	69.4	Low	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-58.5	-35.3	176.2	-25.3	34.6	0	0	0	113.5	R677 L684 A685 L700 N714 S715 A718	R677-P681 VanDerWaalsContact O-CD 3.24Å; R677-P681 WeakPolarHBondContact O-CD 3.46Å; P681-L684 PolarHBondContact O-N 3.24Å; P681-A685 PolarHBondContact O-N 3.39Å; P681-L700 HydrophobicContact CB-CD2 3.82Å; P681-N714 HydrophobicContact CB-CB 4.48Å; P681-S715 WeakPolarHBondContact CG-OG 3.23Å; P681-A718 HydrophobicContact CB-CB 4.24Å; P681-A718 WeakPolarHBondContact O-CB 3.21Å
682	L	72.5	Confident	69.4	Low	1 Å²	1	20.1 Å²	20.1	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-70.7	-39.7	176.8	-59.7	174.3	0	0	0	111.5	L645 A679 V680 A685 L686 N714 F717 L790 F793	L645-L682 HydrophobicContact CD2-CB 3.91Å; A679-L682 WeakPolarHBondContact O-CB 3.19Å; A679-L682 PolarHBondContact O-N 2.79Å; A679-L682 VanDerWaalsContact O-N 3.11Å; V680-L682 PolarHBondContact O-N 3.24Å; L682-A685 WeakPolarHBondContact O-CB 3.43Å; L682-A685 PolarHBondContact O-N 2.76Å; L682-L686 PolarHBondContact O-N 2.93Å; L682-N714 HydrophobicContact CD2-CB 4.15Å; L682-N714 HydrophobicContact CG-CB 4.18Å; L682-F717 HydrophobicContact CD2-CD1 4.31Å; L682-L790 HydrophobicContact CB-CD2 4.01Å; L682-L790 HydrophobicContact CD2-CD2 4.2Å; L682-F793 HydrophobicContact CD1-CB 3.55Å; L682-F793 HydrophobicContact CD2-CB 3.76Å; L682-F793 HydrophobicContact CD2-CG 4.17Å; L682-F793 HydrophobicContact CG-CB 4.31Å
683	A	71.8	Confident	69.9	Low	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-65.4	-38.4	174	0	0	0	0	0	112.1	V644 L645 A648 F665 A679 V680 A685 L686 I687	V644-A683 HydrophobicContact CG1-CB 3.76Å; L645-A683 HydrophobicContact CD2-CB 4.29Å; A648-A683 HydrophobicContact CB-CB 3.79Å; A648-A683 WeakPolarHBondContact CB-O 3.29Å; F665-A683 HydrophobicContact CE1-CB 4.38Å; F665-A683 HydrophobicContact CE2-CB 3.77Å; F665-A683 HydrophobicContact CZ-CB 3.67Å; A679-A683 PolarHBondContact O-N 3.38Å; V680-A683 PolarHBondContact O-N 2.93Å; V680-A683 VanDerWaalsContact O-N 3.16Å; A683-A685 VanDerWaalsContact C-N 3.32Å; A683-A685 PolarHBondContact O-N 3.06Å; A683-L686 PolarHBondContact O-N 2.99Å; A683-I687 WeakPolarHBondContact O-CG1 3.42Å; A683-I687 PolarHBondContact O-N 3.37Å; A683-I687 VanDerWaalsContact O-N 3.09Å
684	L	72.9	Confident	70.2	Confident	5 Å²	5	23.1 Å²	23.1	3%	0.026	11%	0.113	C	C	.	.	H	α-helix	trans	-62.7	-38.3	171.5	-70	176.5	0	0	0	112.2	L662 F665 V680 P681 S688 I696 L700	L662-L684 HydrophobicContact CD2-CD2 3.23Å; F665-L684 HydrophobicContact CB-CD2 4.47Å; F665-L684 HydrophobicContact CD2-CD2 3.83Å; F665-L684 HydrophobicContact CD2-CG 4.4Å; V680-L684 HydrophobicContact CG1-CD1 4.15Å; V680-L684 HydrophobicContact CG1-CG 4.16Å; V680-L684 WeakPolarHBondContact O-CG 3.27Å; V680-L684 PolarHBondContact O-N 3.23Å; P681-L684 PolarHBondContact O-N 3.24Å; L684-S688 PolarHBondContact O-N 3.39Å; L684-I696 HydrophobicContact CB-CG2 4.27Å; L684-L700 HydrophobicContact CB-CD2 4.34Å; L684-L700 HydrophobicContact CD1-CD2 4.07Å
685	A	72.6	Confident	70.7	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-65.2	-41.8	175.1	0	0	0	0	0	112	P681 L682 A683 S688 V689 A718 M721 V722	P681-A685 PolarHBondContact O-N 3.39Å; L682-A685 WeakPolarHBondContact O-CB 3.43Å; L682-A685 PolarHBondContact O-N 2.76Å; A683-A685 VanDerWaalsContact C-N 3.32Å; A683-A685 PolarHBondContact O-N 3.06Å; A685-S688 CarbonylContact O-C 3.51Å; A685-S688 VanDerWaalsContact O-C 3.32Å; A685-S688 PolarHBondContact O-N 3.05Å; A685-V689 WeakPolarHBondContact O-CG2 3.46Å; A685-V689 PolarHBondContact O-N 3.11Å; A685-A718 HydrophobicContact CB-CB 3.72Å; A685-M721 HydrophobicContact CB-CB 4.1Å; A685-M721 HydrophobicContact CB-CE 4.44Å; A685-V722 HydrophobicContact CB-CG2 4.23Å
686	L	71.1	Confident	71.2	Confident	2 Å²	2	25 Å²	25	1%	0.01	12%	0.118	C	C	.	.	H	α-helix	trans	-66.1	-38.4	-179.1	-176.6	57	0	0	0	112.6	A648 L649 M652 L682 A683 S688 L787 L790	A648-L686 HydrophobicContact CB-CB 4.3Å; A648-L686 HydrophobicContact CB-CD2 4.14Å; A648-L686 HydrophobicContact CB-CG 4.41Å; L649-L686 HydrophobicContact CD2-CD1 4.47Å; L649-L686 HydrophobicContact CD2-CD2 3.76Å; L649-L686 HydrophobicContact CD2-CG 4.48Å; L649-L686 HydrophobicContact CG-CD2 3.69Å; M652-L686 HydrophobicContact CE-CD1 3.83Å; M652-L686 HydrophobicContact CE-CG 4.36Å; M652-L686 VanDerWaalsContact CE-O 3.24Å; M652-L686 WeakPolarHBondContact CE-O 3.11Å; M652-L686 HydrophobicContact CG-CG 4.5Å; M652-L686 HydrophobicContact SD-CD1 3.46Å; M652-L686 WeakPolarHBondContact SD-CD1 3.34Å; M652-L686 HydrophobicContact SD-CD2 4.24Å; M652-L686 HydrophobicContact SD-CG 3.47Å; M652-L686 WeakPolarHBondContact SD-CG 3.44Å; L682-L686 PolarHBondContact O-N 2.93Å; A683-L686 PolarHBondContact O-N 2.99Å; L686-S688 VanDerWaalsContact C-N 3.25Å; L686-S688 PolarHBondContact O-N 3.16Å; L686-L787 HydrophobicContact CD2-CD2 4.36Å; L686-L790 HydrophobicContact CB-CD1 3.91Å; L686-L790 HydrophobicContact CD1-CD1 3.58Å; L686-L790 HydrophobicContact CD2-CD1 3.92Å; L686-L790 HydrophobicContact CG-CD1 3.99Å
687	I	71.9	Confident	71.5	Confident	6 Å²	6	24.9 Å²	24.9	3%	0.031	12%	0.118	C	C	.	.	H	α-helix	trans	-63.7	-30.9	175.1	-70.4	179	0	0	0	112.4	A648 A661 F665 A683	A648-I687 HydrophobicContact CB-CD1 4.11Å; A648-I687 HydrophobicContact CB-CG1 3.69Å; A661-I687 HydrophobicContact CB-CD1 3.76Å; F665-I687 HydrophobicContact CD2-CD1 4.16Å; F665-I687 HydrophobicContact CE2-CD1 3.47Å; F665-I687 VanDerWaalsContact CE2-CD1 3.47Å; F665-I687 HydrophobicContact CZ-CD1 4.37Å; A683-I687 WeakPolarHBondContact O-CG1 3.42Å; A683-I687 PolarHBondContact O-N 3.37Å; A683-I687 VanDerWaalsContact O-N 3.09Å
688	S	65.4	Low	72	Confident	3 Å²	3	23.3 Å²	23.3	2%	0.021	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.9	45.6	-170.2	-66.8	0	0	0	0	112.7	L684 A685 L686 S690 N691 I696 V722	L684-S688 PolarHBondContact O-N 3.39Å; A685-S688 CarbonylContact O-C 3.51Å; A685-S688 VanDerWaalsContact O-C 3.32Å; A685-S688 PolarHBondContact O-N 3.05Å; L686-S688 VanDerWaalsContact C-N 3.25Å; L686-S688 PolarHBondContact O-N 3.16Å; S688-S690 PolarHBondContact O-N 3.09Å; S688-N691 PolarHBondContact O-N 3.49Å; S688-I696 WeakPolarHBondContact OG-CD1 3.11Å; S688-V722 WeakPolarHBondContact O-CA 3.34Å
689	V	69.9	Low	72.3	Confident	8 Å²	8	22.7 Å²	22.7	5%	0.048	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	126.2	176.1	-178.5	0	0	0	0	109.9	A685 N691 L768 C769 L786	A685-V689 WeakPolarHBondContact O-CG2 3.46Å; A685-V689 PolarHBondContact O-N 3.11Å; V689-N691 PolarHBondContact O-N 3.31Å; V689-L768 HydrophobicContact CG1-CB 3.65Å; V689-L768 WeakPolarHBondContact CG1-O 3.44Å; V689-C769 PolarHBondContact O-SG 3.43Å; V689-C769 VanDerWaalsContact O-SG 3.4Å; V689-L786 HydrophobicContact CG1-CD2 4.42Å; V689-L786 HydrophobicContact CG2-CD1 4.37Å
690	S	62.8	Low	72.6	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	20.8	-175.5	-36.4	0	0	0	0	115.4	S688 M721 V722 S724 T726 L768 C769	S688-S690 PolarHBondContact O-N 3.09Å; S690-M721 PolarHBondContact N-O 3Å; S690-V722 CarbonylContact C-O 3.55Å; S690-V722 VanDerWaalsContact CA-O 3.26Å; S690-V722 WeakPolarHBondContact CA-O 3.21Å; S690-V722 PolarHBondContact N-O 2.87Å; S690-S724 WeakPolarHBondContact CB-O 3.28Å; S690-S724 PolarHBondContact OG-O 3.44Å; S690-T726 WeakPolarHBondContact O-CG2 3.32Å; S690-L768 PolarHBondContact OG-N 3.13Å; S690-C769 VanDerWaalsContact CB-SG 3.57Å
691	N	68.6	Low	72.8	Confident	26 Å²	26	23.8 Å²	23.8	14%	0.139	13%	0.127	C	C	.	.			trans	-119	92.1	172.6	-174.2	-2.9	0	0	0	110.7	S688 V689 R693 V722 H866	S688-N691 PolarHBondContact O-N 3.49Å; V689-N691 PolarHBondContact O-N 3.31Å; N691-R693 VanDerWaalsContact C-N 3.27Å; N691-R693 PolarHBondContact O-N 3.11Å; N691-V722 PolarHBondContact N-O 2.94Å; N691-V722 WeakPolarHBondContact O-CG1 3.31Å; N691-H866 PolarHBondContact ND2-CE1 3.06Å; N691-H866 VanDerWaalsContact ND2-CE1 3.28Å; N691-H866 PolarHBondContact ND2-ND1 3.35Å
692	P	65.3	Low	73	Confident	31 Å²	31	31 Å²	31	20%	0.201	16%	0.159	C	C	.	.			trans	-75.7	74.8	-178	29.9	-34.6	0	0	0	112.3	L694 L697 V722 T726	P692-L694 PolarHBondContact O-N 2.86Å; P692-L697 HydrophobicContact CB-CD1 3.94Å; P692-V722 HydrophobicContact CB-CG1 4.5Å; P692-T726 HydrophobicContact CG-CG2 4.24Å
693	R	71.5	Confident	73	Confident	66 Å²	66	33.1 Å²	33.1	25%	0.249	17%	0.168	C	C	.	.			trans	-69.3	125.6	167.6	-68.3	-172.8	176.7	-165.1	-2.9	109.7	E659 N691 N695 I696 L697	E659-R693 IonicContact OE1-NH1 2.68Å; N691-R693 VanDerWaalsContact C-N 3.27Å; N691-R693 PolarHBondContact O-N 3.11Å; R693-N695 VanDerWaalsContact C-N 3.25Å; R693-N695 PolarHBondContact O-N 3.03Å; R693-I696 HydrophobicContact CB-CD1 4.03Å; R693-I696 HydrophobicContact CB-CG1 4.16Å; R693-I696 PolarHBondContact O-N 2.95Å; R693-L697 PolarHBondContact O-N 3.45Å; R693-L697 VanDerWaalsContact O-N 3.11Å
694	L	73	Confident	72.9	Confident	82 Å²	82	33.1 Å²	33.1	43%	0.429	17%	0.168	S	C	.	.	H	α-helix	trans	-56.6	-38.5	-176.8	-66.3	177.4	0	0	0	112.9	P692 I696 L697 D698	P692-L694 PolarHBondContact O-N 2.86Å; L694-I696 VanDerWaalsContact C-N 3.28Å; L694-I696 PolarHBondContact O-N 3.07Å; L694-L697 PolarHBondContact O-N 2.93Å; L694-D698 WeakPolarHBondContact O-CB 3.34Å; L694-D698 PolarHBondContact O-N 3.4Å
695	N	77.8	Confident	73.1	Confident	131 Å²	131	37 Å²	37	70%	0.701	19%	0.186	S	C	*	.	H	α-helix	trans	-61.7	-36.4	179.7	-63.8	-5.8	0	0	0	112.3	R693 T699	R693-N695 VanDerWaalsContact C-N 3.25Å; R693-N695 PolarHBondContact O-N 3.03Å; N695-T699 WeakPolarHBondContact O-CG2 3.31Å; N695-T699 PolarHBondContact O-N 3.25Å; N695-T699 PolarHBondContact O-OG1 2.87Å
696	I	76.1	Confident	73.1	Confident	3 Å²	3	40 Å²	40	2%	0.015	20%	0.202	C	C	.	.	H	α-helix	trans	-77.8	-38.4	179.5	-57	176.6	0	0	0	110.1	L662 L684 S688 R693 L694 T699 L700	L662-I696 HydrophobicContact CD1-CD1 4.14Å; L662-I696 HydrophobicContact CD1-CG1 4.32Å; L662-I696 HydrophobicContact CD2-CD1 4.01Å; L662-I696 HydrophobicContact CD2-CG1 4.07Å; L684-I696 HydrophobicContact CB-CG2 4.27Å; S688-I696 WeakPolarHBondContact OG-CD1 3.11Å; R693-I696 HydrophobicContact CB-CD1 4.03Å; R693-I696 HydrophobicContact CB-CG1 4.16Å; R693-I696 PolarHBondContact O-N 2.95Å; L694-I696 VanDerWaalsContact C-N 3.28Å; L694-I696 PolarHBondContact O-N 3.07Å; I696-T699 WeakPolarHBondContact CA-OG1 3.45Å; I696-T699 PolarHBondContact O-N 3.1Å; I696-T699 PolarHBondContact O-OG1 3.43Å; I696-L700 HydrophobicContact CG2-CD1 3.83Å; I696-L700 HydrophobicContact CG2-CG 4.22Å; I696-L700 WeakPolarHBondContact O-CB 3.18Å; I696-L700 VanDerWaalsContact O-CG 3.25Å; I696-L700 WeakPolarHBondContact O-CG 3.14Å; I696-L700 PolarHBondContact O-N 3.48Å
697	L	76.5	Confident	72.9	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-64.4	-41.3	176	-66.7	-177.8	0	0	0	112.3	P692 R693 L694 T699 S701 V722 L731	P692-L697 HydrophobicContact CB-CD1 3.94Å; R693-L697 PolarHBondContact O-N 3.45Å; R693-L697 VanDerWaalsContact O-N 3.11Å; L694-L697 PolarHBondContact O-N 2.93Å; L697-T699 VanDerWaalsContact C-N 3.34Å; L697-S701 VanDerWaalsContact O-CB 3.25Å; L697-S701 WeakPolarHBondContact O-CB 3.32Å; L697-S701 PolarHBondContact O-N 3.49Å; L697-V722 HydrophobicContact CD2-CB 4.4Å; L697-V722 HydrophobicContact CD2-CG1 3.83Å; L697-L731 HydrophobicContact CD1-CB 4.48Å; L697-L731 HydrophobicContact CD1-CD1 4.34Å; L697-L731 HydrophobicContact CD2-CD1 3.71Å; L697-L731 HydrophobicContact CD2-CD2 4.5Å
698	D	78.8	Confident	72.9	Confident	59 Å²	59	46.2 Å²	46.2	32%	0.316	25%	0.249	S	C	.	.	H	α-helix	trans	-71.2	-27.8	179.2	-72.9	-18.6	0	0	0	112.1	L694 K702 R730	L694-D698 WeakPolarHBondContact O-CB 3.34Å; L694-D698 PolarHBondContact O-N 3.4Å; D698-K702 WeakPolarHBondContact O-CG 3.36Å; D698-R730 IonicContact OD1-NH2 3.78Å; D698-R730 PolarHBondContact OD1-NH2 3.36Å; D698-R730 IonicContact OD2-NH2 2.8Å; D698-R730 PolarHBondContact OD2-NH2 2.94Å
699	T	78.8	Confident	73.1	Confident	52 Å²	52	48.6 Å²	48.6	32%	0.319	27%	0.265	S	S	.	.	H	α-helix	trans	-75.4	-48.8	171.4	54	0	0	0	0	111.4	N695 I696 L697 S701 K702 F703	N695-T699 WeakPolarHBondContact O-CG2 3.31Å; N695-T699 PolarHBondContact O-N 3.25Å; N695-T699 PolarHBondContact O-OG1 2.87Å; I696-T699 WeakPolarHBondContact CA-OG1 3.45Å; I696-T699 PolarHBondContact O-N 3.1Å; I696-T699 PolarHBondContact O-OG1 3.43Å; L697-T699 VanDerWaalsContact C-N 3.34Å; T699-S701 VanDerWaalsContact C-N 3.28Å; T699-S701 PolarHBondContact O-N 3.37Å; T699-K702 WeakPolarHBondContact O-CB 3.46Å; T699-K702 PolarHBondContact O-N 3.45Å; T699-F703 WeakPolarHBondContact O-CD2 3.32Å; T699-F703 WeakPolarHBondContact O-CE2 3.45Å; T699-F703 WeakPolarHBondContact O-CG 3.14Å; T699-F703 PolarHBondContact O-N 3.18Å
700	L	77.1	Confident	73.1	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-59	-37.7	177.5	-70.4	173.4	0	0	0	112.6	P681 L684 I696 K702 F703 S704 A718 M719 V722	P681-L700 HydrophobicContact CB-CD2 3.82Å; L684-L700 HydrophobicContact CB-CD2 4.34Å; L684-L700 HydrophobicContact CD1-CD2 4.07Å; I696-L700 HydrophobicContact CG2-CD1 3.83Å; I696-L700 HydrophobicContact CG2-CG 4.22Å; I696-L700 WeakPolarHBondContact O-CB 3.18Å; I696-L700 VanDerWaalsContact O-CG 3.25Å; I696-L700 WeakPolarHBondContact O-CG 3.14Å; I696-L700 PolarHBondContact O-N 3.48Å; L700-K702 VanDerWaalsContact C-N 3.29Å; L700-K702 PolarHBondContact O-N 3.15Å; L700-F703 PolarHBondContact O-N 3.46Å; L700-F703 VanDerWaalsContact O-N 3.16Å; L700-S704 PolarHBondContact O-N 2.99Å; L700-A718 HydrophobicContact CD1-CB 4.09Å; L700-A718 HydrophobicContact CD2-CB 3.83Å; L700-M719 HydrophobicContact CB-CG 3.56Å; L700-M719 HydrophobicContact CB-SD 4.15Å; L700-M719 HydrophobicContact CD1-CG 4Å; L700-M719 HydrophobicContact CG-CG 4.41Å; L700-V722 HydrophobicContact CD1-CG2 4.15Å
701	S	79.7	Confident	73.6	Confident	23 Å²	23	49.3 Å²	49.3	16%	0.161	27%	0.268	C	S	.	.	H	α-helix	trans	-67.5	-26	176.1	-178.2	0	0	0	0	114	L697 T699 S704 H705 M734	L697-S701 VanDerWaalsContact O-CB 3.25Å; L697-S701 WeakPolarHBondContact O-CB 3.32Å; L697-S701 PolarHBondContact O-N 3.49Å; T699-S701 VanDerWaalsContact C-N 3.28Å; T699-S701 PolarHBondContact O-N 3.37Å; S701-S704 WeakPolarHBondContact CA-OG 3.39Å; S701-S704 PolarHBondContact O-OG 3.06Å; S701-H705 PolarHBondContact O-CD2 2.94Å; S701-M734 WeakPolarHBondContact OG-CE 3.33Å
702	K	79.6	Confident	73.9	Confident	152 Å²	152	48.1 Å²	48.1	66%	0.661	26%	0.261	S	S	*	.	H	α-helix	trans	-74.2	-36.9	172.7	-71	169.2	-173.8	172.7	0	110.2	D698 T699 L700 H705	D698-K702 WeakPolarHBondContact O-CG 3.36Å; T699-K702 WeakPolarHBondContact O-CB 3.46Å; T699-K702 PolarHBondContact O-N 3.45Å; L700-K702 VanDerWaalsContact C-N 3.29Å; L700-K702 PolarHBondContact O-N 3.15Å; K702-H705 PolarHBondContact O-N 3.11Å
703	F	72.7	Confident	74.2	Confident	45 Å²	45	46.9 Å²	46.9	20%	0.197	25%	0.253	C	S	.	.	H	α-helix	trans	-73.9	-26.4	178.9	-56.1	-44.5	0	0	0	113.5	L669 T699 L700 H705 D706 V711 S715	L669-F703 HydrophobicContact CD1-CE1 4.37Å; L669-F703 HydrophobicContact CD1-CE2 3.75Å; L669-F703 HydrophobicContact CD1-CZ 3.49Å; L669-F703 VanDerWaalsContact CD1-CZ 3.49Å; L669-F703 HydrophobicContact CD2-CE1 4.4Å; L669-F703 HydrophobicContact CD2-CE2 4.47Å; L669-F703 HydrophobicContact CD2-CZ 4.21Å; L669-F703 HydrophobicContact CG-CZ 4.37Å; T699-F703 WeakPolarHBondContact O-CD2 3.32Å; T699-F703 WeakPolarHBondContact O-CE2 3.45Å; T699-F703 WeakPolarHBondContact O-CG 3.14Å; T699-F703 PolarHBondContact O-N 3.18Å; L700-F703 PolarHBondContact O-N 3.46Å; L700-F703 VanDerWaalsContact O-N 3.16Å; F703-H705 PolarHBondContact O-N 3.26Å; F703-D706 WeakPolarHBondContact O-CB 3.25Å; F703-D706 PolarHBondContact O-N 2.93Å; F703-D706 VanDerWaalsContact O-N 3.11Å; F703-V711 HydrophobicContact CB-CG1 4.48Å; F703-S715 WeakPolarHBondContact CB-OG 3.48Å
704	S	68.1	Low	74.3	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-20	173.7	58.7	0	0	0	0	113.6	L700 S701 S712 L738 H742	L700-S704 PolarHBondContact O-N 2.99Å; S701-S704 WeakPolarHBondContact CA-OG 3.39Å; S701-S704 PolarHBondContact O-OG 3.06Å; S704-S712 WeakPolarHBondContact O-CB 3.29Å; S704-S712 PolarHBondContact O-OG 3.43Å; S704-L738 VanDerWaalsContact OG-CD2 3.28Å; S704-L738 WeakPolarHBondContact OG-CD2 3.4Å; S704-H742 PolarHBondContact O-NE2 3.27Å
705	H	77.2	Confident	74.4	Confident	88 Å²	88	40 Å²	40	41%	0.407	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	9.2	175.6	-69.5	-66.1	0	0	0	114.1	S701 K702 F703 Y741	S701-H705 PolarHBondContact O-CD2 2.94Å; K702-H705 PolarHBondContact O-N 3.11Å; F703-H705 PolarHBondContact O-N 3.26Å; H705-Y741 AromaticContact CE1-CD1 3.79Å; H705-Y741 AromaticContact CE1-CG 3.88Å; H705-Y741 AromaticContact ND1-CD1 3.57Å; H705-Y741 AromaticContact ND1-CE1 3.44Å; H705-Y741 WeakPolarHBondContact ND1-CE1 3.49Å; H705-Y741 AromaticContact ND1-CZ 3.82Å
706	D	73.9	Confident	74.4	Confident	62 Å²	62	33.7 Å²	33.7	33%	0.332	19%	0.188	S	C	.	.			trans	-66.4	154.4	178.9	-156.1	-16.3	0	0	0	111.8	F703 V711	F703-D706 WeakPolarHBondContact O-CB 3.25Å; F703-D706 PolarHBondContact O-N 2.93Å; F703-D706 VanDerWaalsContact O-N 3.11Å; D706-V711 HydrophobicContact CB-CG1 4.31Å
707	A	66.7	Low	74.3	Confident	99 Å²	99	33.7 Å²	33.7	82%	0.818	19%	0.188	S	C	*	.	S	Bend	trans	-74.3	-22.7	-178.2	0	0	0	0	0	113.2	P709	A707-P709 WeakPolarHBondContact O-CD 3.37Å
708	D	71.9	Confident	74.4	Confident	39 Å²	39	33.6 Å²	33.6	21%	0.209	19%	0.187	C	C	.	.	S	Bend	trans	-80.3	114.4	170.6	-172.2	-7.2	0	0	0	109.7	R678 E710 V711 S712	R678-D708 IonicContact CZ-OD2 3.47Å; R678-D708 IonicContact NE-OD2 2.89Å; R678-D708 PolarHBondContact NE-OD2 3.1Å; R678-D708 VanDerWaalsContact NE-OD2 3.14Å; R678-D708 IonicContact NH2-OD1 3.25Å; R678-D708 IonicContact NH2-OD2 3.84Å; R678-D708 PolarHBondContact NH2-OD2 3.49Å; D708-E710 PolarHBondContact O-N 2.96Å; D708-E710 PolarHBondContact OD1-N 3.23Å; D708-E710 VanDerWaalsContact OD1-N 3.09Å; D708-V711 HydrophobicContact CB-CB 4.4Å; D708-V711 HydrophobicContact CB-CG2 4.03Å; D708-V711 PolarHBondContact O-N 2.71Å; D708-S712 PolarHBondContact O-N 3.2Å
709	P	69.7	Low	74.2	Confident	54 Å²	54	30.8 Å²	30.8	35%	0.351	17%	0.172	S	C	.	.	H	α-helix	trans	-58.6	-32.8	-179.7	23.5	-34.5	0	0	0	112.4	A707 S712 H713	A707-P709 WeakPolarHBondContact O-CD 3.37Å; P709-S712 PolarHBondContact O-N 3.49Å; P709-H713 PolarHBondContact O-CE1 3.37Å; P709-H713 PolarHBondContact O-N 2.86Å; P709-H713 PolarHBondContact O-ND1 3.19Å
710	E	69.4	Low	73.9	Confident	18 Å²	18	28.3 Å²	28.3	8%	0.084	16%	0.157	C	C	.	.	H	α-helix	trans	-67.6	-38.2	-178.5	-71.2	177.4	-142.3	0	0	112.8	R678 D708 S712 H713 N714 K797	R678-E710 WeakPolarHBondContact CD-OE2 3.43Å; R678-E710 HydrophobicContact CG-CB 4.15Å; R678-E710 VanDerWaalsContact CZ-CD 3.49Å; R678-E710 IonicContact CZ-OE1 2.64Å; R678-E710 IonicContact CZ-OE2 2.86Å; R678-E710 IonicContact NE-OE2 3.57Å; R678-E710 PolarHBondContact NE-OE2 2.84Å; R678-E710 IonicContact NH1-OE1 3.45Å; R678-E710 IonicContact NH1-OE2 3.14Å; R678-E710 PolarHBondContact NH1-OE2 3.41Å; R678-E710 IonicContact NH2-OE1 3.38Å; R678-E710 IonicContact NH2-OE2 3.73Å; D708-E710 PolarHBondContact O-N 2.96Å; D708-E710 PolarHBondContact OD1-N 3.23Å; D708-E710 VanDerWaalsContact OD1-N 3.09Å; E710-S712 VanDerWaalsContact C-N 3.33Å; E710-H713 PolarHBondContact O-N 3.35Å; E710-N714 PolarHBondContact O-N 2.98Å; E710-N714 VanDerWaalsContact O-N 3.09Å; E710-K797 HydrophobicContact CG-CD 4.31Å; E710-K797 HydrophobicContact CG-CG 4.37Å; E710-K797 VanDerWaalsContact OE1-CD 3.26Å; E710-K797 WeakPolarHBondContact OE1-CD 3.49Å; E710-K797 WeakPolarHBondContact OE1-CE 3.35Å; E710-K797 IonicContact OE1-NZ 3.55Å; E710-K797 PolarHBondContact OE1-NZ 3.44Å
711	V	73.8	Confident	73.7	Confident	4 Å²	4	28.3 Å²	28.3	2%	0.024	16%	0.157	C	C	.	.	H	α-helix	trans	-66	-40.1	174.6	179	0	0	0	0	110.3	R677 R678 F703 D706 D708 N714 S715	R677-V711 HydrophobicContact CB-CG2 4.34Å; R678-V711 HydrophobicContact CG-CG2 3.63Å; F703-V711 HydrophobicContact CB-CG1 4.48Å; D706-V711 HydrophobicContact CB-CG1 4.31Å; D708-V711 HydrophobicContact CB-CB 4.4Å; D708-V711 HydrophobicContact CB-CG2 4.03Å; D708-V711 PolarHBondContact O-N 2.71Å; V711-N714 PolarHBondContact O-N 3.4Å; V711-S715 VanDerWaalsContact O-CB 3.32Å; V711-S715 WeakPolarHBondContact O-CB 3.25Å; V711-S715 PolarHBondContact O-N 3.04Å; V711-S715 PolarHBondContact O-OG 3.11Å
712	S	73.4	Confident	73.5	Confident	1 Å²	1	27.2 Å²	27.2	1%	0.007	15%	0.149	C	C	.	.	H	α-helix	trans	-62.4	-47.7	176	179.4	0	0	0	0	111.7	S704 D708 P709 E710 N714 S715 I716	S704-S712 WeakPolarHBondContact O-CB 3.29Å; S704-S712 PolarHBondContact O-OG 3.43Å; D708-S712 PolarHBondContact O-N 3.2Å; P709-S712 PolarHBondContact O-N 3.49Å; E710-S712 VanDerWaalsContact C-N 3.33Å; S712-N714 PolarHBondContact O-N 3.29Å; S712-S715 PolarHBondContact O-N 3.23Å; S712-I716 WeakPolarHBondContact O-CB 3.39Å; S712-I716 WeakPolarHBondContact O-CD1 3.34Å; S712-I716 WeakPolarHBondContact O-CG1 3.37Å; S712-I716 PolarHBondContact O-N 3.05Å
713	H	73.3	Confident	72.8	Confident	6 Å²	6	20 Å²	20	3%	0.028	12%	0.118	C	C	.	.	H	α-helix	trans	-57.8	-47.8	176.2	-65.8	107.7	0	0	0	111.9	P709 E710 S715 I716 F717 N747 N748 M751 V796	P709-H713 PolarHBondContact O-CE1 3.37Å; P709-H713 PolarHBondContact O-N 2.86Å; P709-H713 PolarHBondContact O-ND1 3.19Å; E710-H713 PolarHBondContact O-N 3.35Å; H713-S715 VanDerWaalsContact C-N 3.33Å; H713-S715 PolarHBondContact O-N 3.17Å; H713-I716 PolarHBondContact O-N 2.89Å; H713-F717 PolarHBondContact O-N 2.71Å; H713-N747 WeakPolarHBondContact NE2-CB 3.34Å; H713-N748 PolarHBondContact CD2-OD1 2.92Å; H713-N748 VanDerWaalsContact CD2-OD1 3.28Å; H713-N748 PolarHBondContact CE1-OD1 3.08Å; H713-N748 PolarHBondContact NE2-OD1 3.37Å; H713-M751 HydrophobicContact CB-CE 4.19Å; H713-M751 HydrophobicContact CB-CG 4.43Å; H713-M751 WeakPolarHBondContact O-CG 3.28Å; H713-V796 HydrophobicContact CB-CG1 4.08Å
714	N	72.9	Confident	72.7	Confident	2 Å²	2	17.9 Å²	17.9	1%	0.011	11%	0.109	C	C	.	.	H	α-helix	trans	-65.1	-37	-180	-77.5	-6.3	0	0	0	112.4	R678 P681 L682 E710 V711 S712 A718 F793 V796	R678-N714 PolarHBondContact O-ND2 3.18Å; P681-N714 HydrophobicContact CB-CB 4.48Å; L682-N714 HydrophobicContact CD2-CB 4.15Å; L682-N714 HydrophobicContact CG-CB 4.18Å; E710-N714 PolarHBondContact O-N 2.98Å; E710-N714 VanDerWaalsContact O-N 3.09Å; V711-N714 PolarHBondContact O-N 3.4Å; S712-N714 PolarHBondContact O-N 3.29Å; N714-A718 WeakPolarHBondContact O-CB 3.24Å; N714-A718 PolarHBondContact O-N 3.23Å; N714-F793 PolarHBondContact ND2-O 3.25Å; N714-F793 PolarHBondContact OD1-O 3.43Å; N714-V796 WeakPolarHBondContact OD1-CG2 3.42Å
715	S	75.6	Confident	72.5	Confident	0 Å²	0	18 Å²	18	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-69.5	-39.6	177.8	-56.7	0	0	0	0	112.2	P681 F703 V711 S712 H713 A718 M719	P681-S715 WeakPolarHBondContact CG-OG 3.23Å; F703-S715 WeakPolarHBondContact CB-OG 3.48Å; V711-S715 VanDerWaalsContact O-CB 3.32Å; V711-S715 WeakPolarHBondContact O-CB 3.25Å; V711-S715 PolarHBondContact O-N 3.04Å; V711-S715 PolarHBondContact O-OG 3.11Å; S712-S715 PolarHBondContact O-N 3.23Å; H713-S715 VanDerWaalsContact C-N 3.33Å; H713-S715 PolarHBondContact O-N 3.17Å; S715-A718 PolarHBondContact O-N 2.94Å; S715-M719 WeakPolarHBondContact O-CG 3.39Å; S715-M719 PolarHBondContact O-N 3.34Å
716	I	76.4	Confident	72	Confident	0 Å²	0	15.5 Å²	15.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-66	-44.5	176.4	-68.3	162.3	0	0	0	110.5	S712 H713 M719 G720 M751 V752 A755	S712-I716 WeakPolarHBondContact O-CB 3.39Å; S712-I716 WeakPolarHBondContact O-CD1 3.34Å; S712-I716 WeakPolarHBondContact O-CG1 3.37Å; S712-I716 PolarHBondContact O-N 3.05Å; H713-I716 PolarHBondContact O-N 2.89Å; I716-M719 PolarHBondContact O-N 3.06Å; I716-G720 PolarHBondContact O-N 3.01Å; I716-M751 HydrophobicContact CB-CG 4.15Å; I716-M751 HydrophobicContact CG2-CB 4.21Å; I716-M751 HydrophobicContact CG2-CG 3.95Å; I716-V752 HydrophobicContact CD1-CG2 3.83Å; I716-V752 HydrophobicContact CG1-CG2 4.31Å; I716-V752 VanDerWaalsContact CG2-CA 3.47Å; I716-V752 HydrophobicContact CG2-CB 4.14Å; I716-V752 HydrophobicContact CG2-CG2 3.65Å; I716-A755 HydrophobicContact CG2-CB 4.13Å; I716-A755 WeakPolarHBondContact O-CB 3.42Å
717	F	75.5	Confident	71.6	Confident	2 Å²	2	15.4 Å²	15.4	1%	0.009	10%	0.1	C	C	.	.	H	α-helix	trans	-63.5	-44.5	175.5	-175.9	-102.7	0	0	0	112	L682 H713 M719 G720 M721 M751 L754 L758 V789 F793 L808	L682-F717 HydrophobicContact CD2-CD1 4.31Å; H713-F717 PolarHBondContact O-N 2.71Å; F717-M719 VanDerWaalsContact C-N 3.29Å; F717-M719 PolarHBondContact O-N 3.29Å; F717-G720 WeakPolarHBondContact O-CA 3.39Å; F717-G720 PolarHBondContact O-N 3.45Å; F717-M721 HydrophobicContact CD1-CG 3.94Å; F717-M721 HydrophobicContact CE1-CE 4.24Å; F717-M721 HydrophobicContact CE1-CG 3.38Å; F717-M721 HydrophobicContact CE1-SD 3.69Å; F717-M721 HydrophobicContact CE2-CG 4.44Å; F717-M721 HydrophobicContact CZ-CG 3.66Å; F717-M721 HydrophobicContact CZ-SD 3.82Å; F717-M721 PolarHBondContact O-N 3.37Å; F717-M751 HydrophobicContact CB-CG 4.23Å; F717-M751 HydrophobicContact CB-SD 3.81Å; F717-M751 HydrophobicContact CD2-SD 4Å; F717-M751 HydrophobicContact CG-SD 4.29Å; F717-L754 HydrophobicContact CD2-CD2 3.95Å; F717-L754 HydrophobicContact CE2-CD2 3.95Å; F717-L758 HydrophobicContact CD2-CD1 4.22Å; F717-L758 HydrophobicContact CE2-CD1 3.59Å; F717-L758 HydrophobicContact CZ-CD1 4.16Å; F717-V789 HydrophobicContact CE1-CG1 4.18Å; F717-V789 HydrophobicContact CZ-CG1 3.9Å; F717-F793 HydrophobicContact CB-CD1 4.46Å; F717-F793 HydrophobicContact CB-CE1 3.92Å; F717-F793 HydrophobicContact CB-CZ 4.24Å; F717-F793 HydrophobicContact CD1-CD1 4.08Å; F717-F793 AromaticContact CD1-CD2 3.76Å; F717-F793 HydrophobicContact CD1-CD2 3.76Å; F717-F793 AromaticContact CD1-CE1 3.76Å; F717-F793 HydrophobicContact CD1-CE1 3.76Å; F717-F793 AromaticContact CD1-CE2 3.46Å; F717-F793 HydrophobicContact CD1-CE2 3.46Å; F717-F793 VanDerWaalsContact CD1-CE2 3.46Å; F717-F793 HydrophobicContact CD1-CG 4.1Å; F717-F793 AromaticContact CD1-CZ 3.46Å; F717-F793 HydrophobicContact CD1-CZ 3.46Å; F717-F793 VanDerWaalsContact CD1-CZ 3.46Å; F717-F793 AromaticContact CD2-CE1 3.77Å; F717-F793 HydrophobicContact CD2-CE1 3.77Å; F717-F793 AromaticContact CD2-CE2 3.91Å; F717-F793 HydrophobicContact CD2-CE2 3.91Å; F717-F793 AromaticContact CD2-CZ 3.24Å; F717-F793 HydrophobicContact CD2-CZ 3.24Å; F717-F793 AromaticContact CE1-CD2 3.52Å; F717-F793 HydrophobicContact CE1-CD2 3.52Å; F717-F793 HydrophobicContact CE1-CE1 4.25Å; F717-F793 AromaticContact CE1-CE2 3.08Å; F717-F793 HydrophobicContact CE1-CE2 3.08Å; F717-F793 HydrophobicContact CE1-CG 4.32Å; F717-F793 AromaticContact CE1-CZ 3.51Å; F717-F793 HydrophobicContact CE1-CZ 3.51Å; F717-F793 HydrophobicContact CE2-CE1 4.25Å; F717-F793 AromaticContact CE2-CE2 3.56Å; F717-F793 HydrophobicContact CE2-CE2 3.56Å; F717-F793 AromaticContact CE2-CZ 3.27Å; F717-F793 HydrophobicContact CE2-CZ 3.27Å; F717-F793 HydrophobicContact CG-CD1 4.19Å; F717-F793 HydrophobicContact CG-CD2 4.45Å; F717-F793 AromaticContact CG-CE1 3.5Å; F717-F793 HydrophobicContact CG-CE1 3.5Å; F717-F793 AromaticContact CG-CE2 3.86Å; F717-F793 HydrophobicContact CG-CE2 3.86Å; F717-F793 AromaticContact CG-CZ 3.34Å; F717-F793 HydrophobicContact CG-CZ 3.34Å; F717-F793 HydrophobicContact CZ-CD2 4.05Å; F717-F793 HydrophobicContact CZ-CE1 4.48Å; F717-F793 AromaticContact CZ-CE2 3.15Å; F717-F793 HydrophobicContact CZ-CE2 3.15Å; F717-F793 AromaticContact CZ-CZ 3.42Å; F717-F793 HydrophobicContact CZ-CZ 3.42Å; F717-F793 VanDerWaalsContact CZ-CZ 3.42Å; F717-L808 HydrophobicContact CE2-CD2 4.31Å
718	A	77.1	Confident	71.9	Confident	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-55.7	-42.2	175.2	0	0	0	0	0	112.3	P681 A685 L700 N714 S715 G720 M721 V722	P681-A718 HydrophobicContact CB-CB 4.24Å; P681-A718 WeakPolarHBondContact O-CB 3.21Å; A685-A718 HydrophobicContact CB-CB 3.72Å; L700-A718 HydrophobicContact CD1-CB 4.09Å; L700-A718 HydrophobicContact CD2-CB 3.83Å; N714-A718 WeakPolarHBondContact O-CB 3.24Å; N714-A718 PolarHBondContact O-N 3.23Å; S715-A718 PolarHBondContact O-N 2.94Å; A718-G720 VanDerWaalsContact C-N 3.31Å; A718-G720 PolarHBondContact O-N 3.45Å; A718-M721 PolarHBondContact O-N 3.05Å; A718-V722 VanDerWaalsContact O-CG2 3.27Å; A718-V722 WeakPolarHBondContact O-CG2 3.16Å; A718-V722 PolarHBondContact O-N 3.03Å
719	M	75.3	Confident	71.9	Confident	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60.9	-38.9	173.7	-74.1	178.8	70.5	0	0	112.4	L700 S715 I716 F717 G723 L731 M734 L735 L738	L700-M719 HydrophobicContact CB-CG 3.56Å; L700-M719 HydrophobicContact CB-SD 4.15Å; L700-M719 HydrophobicContact CD1-CG 4Å; L700-M719 HydrophobicContact CG-CG 4.41Å; S715-M719 WeakPolarHBondContact O-CG 3.39Å; S715-M719 PolarHBondContact O-N 3.34Å; I716-M719 PolarHBondContact O-N 3.06Å; F717-M719 VanDerWaalsContact C-N 3.29Å; F717-M719 PolarHBondContact O-N 3.29Å; M719-G723 PolarHBondContact O-N 3.43Å; M719-G723 VanDerWaalsContact O-N 3.17Å; M719-L731 HydrophobicContact CB-CD1 4.2Å; M719-L731 HydrophobicContact CE-CD1 3.6Å; M719-L731 WeakPolarHBondContact O-CD2 3.31Å; M719-M734 HydrophobicContact CE-CB 4.17Å; M719-M734 HydrophobicContact CE-CE 4.36Å; M719-L735 HydrophobicContact CB-CD2 4.41Å; M719-L738 HydrophobicContact CE-CD1 4.23Å; M719-L738 HydrophobicContact SD-CD1 4.1Å
720	G	72.3	Confident	72.1	Confident	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-63.1	-44.7	174.2	0	0	0	0	0	113.2	I716 F717 A718 G723 S724	I716-G720 PolarHBondContact O-N 3.01Å; F717-G720 WeakPolarHBondContact O-CA 3.39Å; F717-G720 PolarHBondContact O-N 3.45Å; A718-G720 VanDerWaalsContact C-N 3.31Å; A718-G720 PolarHBondContact O-N 3.45Å; G720-G723 CarbonylContact O-C 3.54Å; G720-G723 PolarHBondContact O-N 3.27Å; G720-S724 PolarHBondContact O-N 3.02Å; G720-S724 PolarHBondContact O-OG 2.97Å
721	M	73.7	Confident	72.2	Confident	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-65	-44.4	177.6	-72.6	-108	-65.7	0	0	112.9	A685 S690 F717 A718 G723 S724 L786 L790 L811	A685-M721 HydrophobicContact CB-CB 4.1Å; A685-M721 HydrophobicContact CB-CE 4.44Å; S690-M721 PolarHBondContact N-O 3Å; F717-M721 HydrophobicContact CD1-CG 3.94Å; F717-M721 HydrophobicContact CE1-CE 4.24Å; F717-M721 HydrophobicContact CE1-CG 3.38Å; F717-M721 HydrophobicContact CE1-SD 3.69Å; F717-M721 HydrophobicContact CE2-CG 4.44Å; F717-M721 HydrophobicContact CZ-CG 3.66Å; F717-M721 HydrophobicContact CZ-SD 3.82Å; F717-M721 PolarHBondContact O-N 3.37Å; A718-M721 PolarHBondContact O-N 3.05Å; M721-G723 PolarHBondContact O-N 3.46Å; M721-S724 WeakPolarHBondContact CA-OG 3.47Å; M721-S724 WeakPolarHBondContact O-CB 3.47Å; M721-S724 PolarHBondContact O-N 3.44Å; M721-S724 PolarHBondContact O-OG 3.13Å; M721-L786 HydrophobicContact CE-CD2 4.03Å; M721-L786 HydrophobicContact SD-CD2 4.2Å; M721-L790 HydrophobicContact CE-CD1 4.23Å; M721-L790 HydrophobicContact CE-CD2 3.67Å; M721-L790 HydrophobicContact CE-CG 4.02Å; M721-L811 HydrophobicContact SD-CD1 4.26Å
722	V	74.1	Confident	72.1	Confident	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-63.5	-33.1	177.7	171.1	0	0	0	0	111.6	A685 S688 S690 N691 P692 L697 L700 A718	A685-V722 HydrophobicContact CB-CG2 4.23Å; S688-V722 WeakPolarHBondContact O-CA 3.34Å; S690-V722 CarbonylContact C-O 3.55Å; S690-V722 VanDerWaalsContact CA-O 3.26Å; S690-V722 WeakPolarHBondContact CA-O 3.21Å; S690-V722 PolarHBondContact N-O 2.87Å; N691-V722 PolarHBondContact N-O 2.94Å; N691-V722 WeakPolarHBondContact O-CG1 3.31Å; P692-V722 HydrophobicContact CB-CG1 4.5Å; L697-V722 HydrophobicContact CD2-CB 4.4Å; L697-V722 HydrophobicContact CD2-CG1 3.83Å; L700-V722 HydrophobicContact CD1-CG2 4.15Å; A718-V722 VanDerWaalsContact O-CG2 3.27Å; A718-V722 WeakPolarHBondContact O-CG2 3.16Å; A718-V722 PolarHBondContact O-N 3.03Å
723	G	65.1	Low	72.2	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	2.9	178.2	0	0	0	0	0	115.8	M719 G720 M721 G725 T726	M719-G723 PolarHBondContact O-N 3.43Å; M719-G723 VanDerWaalsContact O-N 3.17Å; G720-G723 CarbonylContact O-C 3.54Å; G720-G723 PolarHBondContact O-N 3.27Å; M721-G723 PolarHBondContact O-N 3.46Å; G723-G725 PolarHBondContact O-N 3.18Å; G723-T726 PolarHBondContact O-N 3.5Å; G723-T726 VanDerWaalsContact O-N 3.1Å; G723-T726 PolarHBondContact O-OG1 3.25Å
724	S	71	Confident	72.3	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	125.4	-167.9	-71.8	0	0	0	0	112.1	S690 G720 M721 T726 L758 L768	S690-S724 WeakPolarHBondContact CB-O 3.28Å; S690-S724 PolarHBondContact OG-O 3.44Å; G720-S724 PolarHBondContact O-N 3.02Å; G720-S724 PolarHBondContact O-OG 2.97Å; M721-S724 WeakPolarHBondContact CA-OG 3.47Å; M721-S724 WeakPolarHBondContact O-CB 3.47Å; M721-S724 PolarHBondContact O-N 3.44Å; M721-S724 PolarHBondContact O-OG 3.13Å; S724-T726 PolarHBondContact O-N 3Å; S724-L758 VanDerWaalsContact CA-O 3.26Å; S724-L758 WeakPolarHBondContact CA-O 3.35Å; S724-L768 WeakPolarHBondContact OG-CD1 3.31Å
725	G	64.3	Low	72.3	Confident	2 Å²	2	19.3 Å²	19.3	2%	0.021	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	1.4	179.3	0	0	0	0	0	116.8	G723 L758 G764 L766	G723-G725 PolarHBondContact O-N 3.18Å; G725-L758 PolarHBondContact N-O 3Å; G725-L758 VanDerWaalsContact N-O 3.12Å; G725-G764 CarbonylContact O-C 3.58Å; G725-G764 WeakPolarHBondContact O-CA 3.38Å; G725-L766 VanDerWaalsContact CA-O 3.23Å; G725-L766 WeakPolarHBondContact CA-O 3.47Å
726	T	66.4	Low	72.1	Confident	37 Å²	37	22.2 Å²	22.2	23%	0.227	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-10.6	-178.2	61.6	0	0	0	0	113.6	S690 P692 G723 S724 N728	S690-T726 WeakPolarHBondContact O-CG2 3.32Å; P692-T726 HydrophobicContact CG-CG2 4.24Å; G723-T726 PolarHBondContact O-N 3.5Å; G723-T726 VanDerWaalsContact O-N 3.1Å; G723-T726 PolarHBondContact O-OG1 3.25Å; S724-T726 PolarHBondContact O-N 3Å; T726-N728 PolarHBondContact O-N 2.82Å
727	N	66.6	Low	72	Confident	59 Å²	59	29 Å²	29	32%	0.316	16%	0.156	S	C	.	.			trans	48.1	32.2	-177.5	-75.7	-26.6	0	0	0	114.1	A729 T759 H760 K763 G764	N727-A729 PolarHBondContact O-N 3.3Å; N727-A729 VanDerWaalsContact O-N 3.09Å; N727-T759 PolarHBondContact N-O 3.35Å; N727-T759 PolarHBondContact OD1-O 3.36Å; N727-H760 WeakPolarHBondContact OD1-CA 3.39Å; N727-H760 PolarHBondContact OD1-ND1 3.28Å; N727-K763 PolarHBondContact ND2-O 3.3Å; N727-G764 WeakPolarHBondContact ND2-CA 3.22Å
728	N	71.9	Confident	71.6	Confident	44 Å²	44	29 Å²	29	24%	0.235	16%	0.156	C	C	.	.			trans	-65.4	116.5	-174.7	-174	-16.6	0	0	0	111.3	T726 R730 L731 A732	T726-N728 PolarHBondContact O-N 2.82Å; N728-R730 VanDerWaalsContact C-N 3.28Å; N728-R730 PolarHBondContact O-N 3.47Å; N728-R730 PolarHBondContact OD1-N 3.23Å; N728-R730 VanDerWaalsContact OD1-N 3.13Å; N728-L731 HydrophobicContact CB-CB 4.09Å; N728-L731 PolarHBondContact O-N 3.26Å; N728-A732 PolarHBondContact O-N 3.15Å
729	A	72	Confident	71	Confident	78 Å²	78	29.1 Å²	29.1	65%	0.645	16%	0.157	S	C	*	.	H	α-helix	trans	-59.8	-34	-175.8	0	0	0	0	0	113.6	N727 A733	N727-A729 PolarHBondContact O-N 3.3Å; N727-A729 VanDerWaalsContact O-N 3.09Å; A729-A733 WeakPolarHBondContact O-CB 3.39Å; A729-A733 PolarHBondContact O-N 3.07Å
730	R	73.1	Confident	70.6	Confident	113 Å²	113	33.4 Å²	33.4	43%	0.426	18%	0.177	S	C	.	.	H	α-helix	trans	-70.7	-44.1	178	-177.5	173.5	169.7	-179.7	-9.2	110.9	D698 N728 A733 M734	D698-R730 IonicContact OD1-NH2 3.78Å; D698-R730 PolarHBondContact OD1-NH2 3.36Å; D698-R730 IonicContact OD2-NH2 2.8Å; D698-R730 PolarHBondContact OD2-NH2 2.94Å; N728-R730 VanDerWaalsContact C-N 3.28Å; N728-R730 PolarHBondContact O-N 3.47Å; N728-R730 PolarHBondContact OD1-N 3.23Å; N728-R730 VanDerWaalsContact OD1-N 3.13Å; R730-A733 WeakPolarHBondContact O-CB 3.1Å; R730-A733 PolarHBondContact O-N 3.11Å; R730-M734 HydrophobicContact CG-SD 4.28Å; R730-M734 WeakPolarHBondContact O-CG 3.48Å; R730-M734 PolarHBondContact O-N 3.41Å
731	L	73.3	Confident	70.5	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-62.6	-44.8	176.3	-177.9	62.4	0	0	0	111.5	L697 M719 N728 A733 M734 L735 T759	L697-L731 HydrophobicContact CD1-CB 4.48Å; L697-L731 HydrophobicContact CD1-CD1 4.34Å; L697-L731 HydrophobicContact CD2-CD1 3.71Å; L697-L731 HydrophobicContact CD2-CD2 4.5Å; M719-L731 HydrophobicContact CB-CD1 4.2Å; M719-L731 HydrophobicContact CE-CD1 3.6Å; M719-L731 WeakPolarHBondContact O-CD2 3.31Å; N728-L731 HydrophobicContact CB-CB 4.09Å; N728-L731 PolarHBondContact O-N 3.26Å; L731-A733 VanDerWaalsContact C-N 3.25Å; L731-A733 PolarHBondContact O-N 3.34Å; L731-M734 PolarHBondContact O-N 3.41Å; L731-M734 VanDerWaalsContact O-N 3.12Å; L731-L735 HydrophobicContact CD1-CG 4.49Å; L731-L735 HydrophobicContact CG-CD1 4.25Å; L731-L735 WeakPolarHBondContact O-CG 3.45Å; L731-L735 PolarHBondContact O-N 2.95Å; L731-T759 HydrophobicContact CD2-CG2 3.46Å; L731-T759 VanDerWaalsContact CD2-CG2 3.46Å; L731-T759 HydrophobicContact CG-CG2 4.03Å
732	A	70.1	Confident	70	Confident	16 Å²	16	41.3 Å²	41.3	13%	0.132	21%	0.209	C	C	.	.	H	α-helix	trans	-62.2	-31.7	175.2	0	0	0	0	0	112.5	N728 R736	N728-A732 PolarHBondContact O-N 3.15Å; A732-R736 VanDerWaalsContact O-CG 3.31Å; A732-R736 WeakPolarHBondContact O-CG 3.5Å; A732-R736 PolarHBondContact O-N 3.48Å; A732-R736 PolarHBondContact O-NE 3.27Å; A732-R736 VanDerWaalsContact O-NE 3.08Å
733	A	75.7	Confident	69.3	Low	31 Å²	31	44 Å²	44	26%	0.256	23%	0.231	S	C	.	.	H	α-helix	trans	-69.9	-42	172	0	0	0	0	0	112.3	A729 R730 L731 R736 Q737	A729-A733 WeakPolarHBondContact O-CB 3.39Å; A729-A733 PolarHBondContact O-N 3.07Å; R730-A733 WeakPolarHBondContact O-CB 3.1Å; R730-A733 PolarHBondContact O-N 3.11Å; L731-A733 VanDerWaalsContact C-N 3.25Å; L731-A733 PolarHBondContact O-N 3.34Å; A733-R736 PolarHBondContact O-N 3.11Å; A733-Q737 WeakPolarHBondContact O-CG 3.15Å; A733-Q737 PolarHBondContact O-N 3.48Å
734	M	76	Confident	69	Low	24 Å²	24	53.4 Å²	53.4	12%	0.118	27%	0.272	C	S	.	.	H	α-helix	trans	-64.9	-43.6	177.4	-67.3	173.9	78.3	0	0	111.6	S701 M719 R730 L731 R736 Q737 L738	S701-M734 WeakPolarHBondContact OG-CE 3.33Å; M719-M734 HydrophobicContact CE-CB 4.17Å; M719-M734 HydrophobicContact CE-CE 4.36Å; R730-M734 HydrophobicContact CG-SD 4.28Å; R730-M734 WeakPolarHBondContact O-CG 3.48Å; R730-M734 PolarHBondContact O-N 3.41Å; L731-M734 PolarHBondContact O-N 3.41Å; L731-M734 VanDerWaalsContact O-N 3.12Å; M734-R736 VanDerWaalsContact C-N 3.32Å; M734-R736 PolarHBondContact O-N 3.14Å; M734-Q737 PolarHBondContact O-N 3.42Å; M734-L738 WeakPolarHBondContact O-CG 3.47Å; M734-L738 PolarHBondContact O-N 3.29Å
735	L	73	Confident	68.9	Low	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62.7	-36.4	175.8	-70.8	173.2	0	0	0	112.4	M719 L731 L738 A739 V752 A755 Q756 T759	M719-L735 HydrophobicContact CB-CD2 4.41Å; L731-L735 HydrophobicContact CD1-CG 4.49Å; L731-L735 HydrophobicContact CG-CD1 4.25Å; L731-L735 WeakPolarHBondContact O-CG 3.45Å; L731-L735 PolarHBondContact O-N 2.95Å; L735-L738 HydrophobicContact CD2-CD1 4.46Å; L735-L738 PolarHBondContact O-N 2.95Å; L735-A739 PolarHBondContact O-N 3.36Å; L735-V752 VanDerWaalsContact O-CG1 3.27Å; L735-V752 WeakPolarHBondContact O-CG1 3.16Å; L735-A755 HydrophobicContact CD1-CB 4.29Å; L735-A755 HydrophobicContact CD2-CB 3.99Å; L735-Q756 HydrophobicContact CB-CG 3.79Å; L735-Q756 HydrophobicContact CD1-CG 4.02Å; L735-Q756 HydrophobicContact CG-CG 4.49Å; L735-T759 HydrophobicContact CD1-CG2 3.68Å
736	R	71.1	Confident	68.8	Low	61 Å²	61	60.6 Å²	60.6	23%	0.23	31%	0.314	C	S	.	.	H	α-helix	trans	-66.2	-40	172.9	-76.3	-179.8	-67.7	145.9	-2.2	112.6	A732 A733 M734 L738 A739 Q740	A732-R736 VanDerWaalsContact O-CG 3.31Å; A732-R736 WeakPolarHBondContact O-CG 3.5Å; A732-R736 PolarHBondContact O-N 3.48Å; A732-R736 PolarHBondContact O-NE 3.27Å; A732-R736 VanDerWaalsContact O-NE 3.08Å; A733-R736 PolarHBondContact O-N 3.11Å; M734-R736 VanDerWaalsContact C-N 3.32Å; M734-R736 PolarHBondContact O-N 3.14Å; R736-L738 VanDerWaalsContact C-N 3.32Å; R736-L738 PolarHBondContact O-N 2.98Å; R736-A739 PolarHBondContact O-N 3.21Å; R736-Q740 PolarHBondContact O-N 3.26Å; R736-Q740 VanDerWaalsContact O-N 3.15Å
737	Q	74.5	Confident	68.9	Low	141 Å²	141	61.3 Å²	61.3	66%	0.659	32%	0.317	S	S	*	.	H	α-helix	trans	-63.7	-39.1	174.2	-70.7	175.7	-0.8	0	0	111.8	A733 M734 Q740 Y741	A733-Q737 WeakPolarHBondContact O-CG 3.15Å; A733-Q737 PolarHBondContact O-N 3.48Å; M734-Q737 PolarHBondContact O-N 3.42Å; Q737-Q740 PolarHBondContact O-N 3.4Å; Q737-Y741 PolarHBondContact O-N 3.2Å; Q737-Y741 VanDerWaalsContact O-N 3.08Å
738	L	66.6	Low	68.9	Low	3 Å²	3	59 Å²	59	2%	0.016	30%	0.304	C	S	.	.	H	α-helix	trans	-67.2	-39.1	175.7	-72.9	165.9	0	0	0	112.5	S704 M719 M734 L735 R736 Q740 Y741 H742 V752	S704-L738 VanDerWaalsContact OG-CD2 3.28Å; S704-L738 WeakPolarHBondContact OG-CD2 3.4Å; M719-L738 HydrophobicContact CE-CD1 4.23Å; M719-L738 HydrophobicContact SD-CD1 4.1Å; M734-L738 WeakPolarHBondContact O-CG 3.47Å; M734-L738 PolarHBondContact O-N 3.29Å; L735-L738 HydrophobicContact CD2-CD1 4.46Å; L735-L738 PolarHBondContact O-N 2.95Å; R736-L738 VanDerWaalsContact C-N 3.32Å; R736-L738 PolarHBondContact O-N 2.98Å; L738-Q740 VanDerWaalsContact C-N 3.31Å; L738-Q740 PolarHBondContact O-N 2.96Å; L738-Y741 PolarHBondContact O-N 3.25Å; L738-H742 PolarHBondContact O-N 3.33Å; L738-V752 HydrophobicContact CB-CG2 4.32Å
739	A	64.9	Low	68.6	Low	3 Å²	3	58.1 Å²	58.1	3%	0.025	30%	0.299	C	S	.	.	H	α-helix	trans	-58.8	-43.9	174.1	0	0	0	0	0	111.4	L735 R736 Y741 A743 L749 V752	L735-A739 PolarHBondContact O-N 3.36Å; R736-A739 PolarHBondContact O-N 3.21Å; A739-Y741 PolarHBondContact O-N 3.48Å; A739-A743 PolarHBondContact O-N 3.21Å; A739-A743 VanDerWaalsContact O-N 3.11Å; A739-L749 HydrophobicContact CB-CD1 4.28Å; A739-V752 HydrophobicContact CB-CG1 3.77Å
740	Q	66.8	Low	68.3	Low	90 Å²	90	54.6 Å²	54.6	42%	0.421	27%	0.269	S	S	.	.	H	α-helix	trans	-66.2	-36.5	177.4	-173.4	63.5	66	0	0	112.8	R736 Q737 L738	R736-Q740 PolarHBondContact O-N 3.26Å; R736-Q740 VanDerWaalsContact O-N 3.15Å; Q737-Q740 PolarHBondContact O-N 3.4Å; L738-Q740 VanDerWaalsContact C-N 3.31Å; L738-Q740 PolarHBondContact O-N 2.96Å
741	Y	69.5	Low	68	Low	149 Å²	149	49.2 Å²	49.2	58%	0.584	25%	0.249	S	C	*	.	H	α-helix	trans	-70.4	-42.9	179.1	-177	-98.3	0	0	0	112	H705 Q737 L738 A739	H705-Y741 AromaticContact CE1-CD1 3.79Å; H705-Y741 AromaticContact CE1-CG 3.88Å; H705-Y741 AromaticContact ND1-CD1 3.57Å; H705-Y741 AromaticContact ND1-CE1 3.44Å; H705-Y741 WeakPolarHBondContact ND1-CE1 3.49Å; H705-Y741 AromaticContact ND1-CZ 3.82Å; Q737-Y741 PolarHBondContact O-N 3.2Å; Q737-Y741 VanDerWaalsContact O-N 3.08Å; L738-Y741 PolarHBondContact O-N 3.25Å; A739-Y741 PolarHBondContact O-N 3.48Å
742	H	64.3	Low	67.8	Low	16 Å²	16	49.2 Å²	49.2	7%	0.074	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	17.4	179.7	-69.4	-70.8	0	0	0	114.3	S704 L738 K744 D745 N748	S704-H742 PolarHBondContact O-NE2 3.27Å; L738-H742 PolarHBondContact O-N 3.33Å; H742-K744 PolarHBondContact O-N 3.36Å; H742-D745 PolarHBondContact O-N 3.05Å; H742-N748 HydrophobicContact CB-CB 3.74Å; H742-N748 PolarHBondContact ND1-ND2 3.13Å
743	A	59.6	Low	67.9	Low	57 Å²	57	49.7 Å²	49.7	47%	0.471	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-20.1	-177	0	0	0	0	0	114.5	A739	A739-A743 PolarHBondContact O-N 3.21Å; A739-A743 VanDerWaalsContact O-N 3.11Å
744	K	58.2	Low	67.6	Low	197 Å²	197	48.2 Å²	48.2	86%	0.857	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-18.1	178.6	-65.1	-176.2	-179.8	179.6	0	114.2	H742 P746	H742-K744 PolarHBondContact O-N 3.36Å; K744-P746 WeakPolarHBondContact O-CD 3.44Å
745	D	68	Low	67.3	Low	82 Å²	82	47.1 Å²	47.1	44%	0.439	23%	0.23	S	C	.	.			trans	-107.4	107.4	-176	-70.8	-31	0	0	0	111.2	H742 N747 N748 L749	H742-D745 PolarHBondContact O-N 3.05Å; D745-N747 VanDerWaalsContact C-N 3.27Å; D745-N747 PolarHBondContact O-N 3.14Å; D745-N748 HydrophobicContact CB-CB 3.98Å; D745-N748 PolarHBondContact O-N 2.99Å; D745-N748 PolarHBondContact OD2-ND2 3.36Å; D745-N748 VanDerWaalsContact OD2-ND2 3.17Å; D745-L749 WeakPolarHBondContact O-CB 3.41Å; D745-L749 PolarHBondContact O-N 2.94Å
746	P	63.9	Low	67.2	Low	72 Å²	72	47.4 Å²	47.4	47%	0.468	23%	0.231	S	C	.	.	H	α-helix	trans	-61.6	-27.9	-175.9	-26.2	35.4	0	0	0	115.2	K744 F750	K744-P746 WeakPolarHBondContact O-CD 3.44Å; P746-F750 WeakPolarHBondContact O-CB 2.95Å; P746-F750 PolarHBondContact O-N 2.88Å; P746-F750 VanDerWaalsContact O-N 3.07Å
747	N	68.3	Low	67	Low	52 Å²	52	44.5 Å²	44.5	28%	0.278	22%	0.22	S	C	.	.	H	α-helix	trans	-78.1	-42.9	-179.1	-63.7	-10.9	0	0	0	112.1	R359 H713 D745 L749 F750 M751 L801	R359-N747 PolarHBondContact NH1-OD1 3.02Å; H713-N747 WeakPolarHBondContact NE2-CB 3.34Å; D745-N747 VanDerWaalsContact C-N 3.27Å; D745-N747 PolarHBondContact O-N 3.14Å; N747-L749 VanDerWaalsContact C-N 3.33Å; N747-F750 WeakPolarHBondContact O-CB 3.15Å; N747-F750 PolarHBondContact O-N 3.44Å; N747-M751 PolarHBondContact O-N 3.35Å; N747-M751 VanDerWaalsContact O-N 3.15Å; N747-L801 HydrophobicContact CB-CD1 4.36Å; N747-L801 HydrophobicContact CB-CD2 3.74Å
748	N	66	Low	66.7	Low	9 Å²	9	37.8 Å²	37.8	5%	0.048	19%	0.189	C	C	.	.	H	α-helix	trans	-65.1	-42	174.8	-70.1	-29.8	0	0	0	109.8	H713 H742 D745 F750 M751 V752	H713-N748 PolarHBondContact CD2-OD1 2.92Å; H713-N748 VanDerWaalsContact CD2-OD1 3.28Å; H713-N748 PolarHBondContact CE1-OD1 3.08Å; H713-N748 PolarHBondContact NE2-OD1 3.37Å; H742-N748 HydrophobicContact CB-CB 3.74Å; H742-N748 PolarHBondContact ND1-ND2 3.13Å; D745-N748 HydrophobicContact CB-CB 3.98Å; D745-N748 PolarHBondContact O-N 2.99Å; D745-N748 PolarHBondContact OD2-ND2 3.36Å; D745-N748 VanDerWaalsContact OD2-ND2 3.17Å; N748-F750 PolarHBondContact O-N 2.87Å; N748-M751 PolarHBondContact O-N 2.95Å; N748-V752 WeakPolarHBondContact O-CG2 3.47Å; N748-V752 PolarHBondContact O-N 3.32Å
749	L	66.2	Low	66.8	Low	26 Å²	26	37.8 Å²	37.8	14%	0.136	19%	0.189	C	C	.	.	H	α-helix	trans	-64	-38.3	176.9	-169.4	66.7	0	0	0	112.8	A739 D745 N747 M751 V752 R753	A739-L749 HydrophobicContact CB-CD1 4.28Å; D745-L749 WeakPolarHBondContact O-CB 3.41Å; D745-L749 PolarHBondContact O-N 2.94Å; N747-L749 VanDerWaalsContact C-N 3.33Å; L749-M751 VanDerWaalsContact C-N 3.33Å; L749-M751 PolarHBondContact O-N 2.95Å; L749-V752 PolarHBondContact O-N 2.81Å; L749-R753 WeakPolarHBondContact O-CG 3.37Å; L749-R753 PolarHBondContact O-N 3.1Å; L749-R753 VanDerWaalsContact O-N 3.1Å
750	F	65.8	Low	66.9	Low	4 Å²	4	39.4 Å²	39.4	2%	0.018	20%	0.196	C	C	.	.	H	α-helix	trans	-57.6	-46.5	172	175.1	-95.4	0	0	0	111.2	R359 L362 A363 F366 P746 N747 N748 R753 L754 L801 H805	R359-F750 WeakPolarHBondContact O-CD2 3.15Å; L362-F750 HydrophobicContact CB-CE2 4.17Å; L362-F750 HydrophobicContact CD2-CE2 4.11Å; L362-F750 HydrophobicContact CD2-CZ 4.39Å; L362-F750 HydrophobicContact CG-CE2 3.94Å; L362-F750 HydrophobicContact CG-CZ 4.47Å; A363-F750 HydrophobicContact CB-CD2 3.51Å; A363-F750 HydrophobicContact CB-CE2 3.87Å; A363-F750 HydrophobicContact CB-CG 4.41Å; F366-F750 HydrophobicContact CD2-CE2 4.29Å; F366-F750 HydrophobicContact CD2-CZ 4.09Å; F366-F750 HydrophobicContact CE2-CZ 4.19Å; P746-F750 WeakPolarHBondContact O-CB 2.95Å; P746-F750 PolarHBondContact O-N 2.88Å; P746-F750 VanDerWaalsContact O-N 3.07Å; N747-F750 WeakPolarHBondContact O-CB 3.15Å; N747-F750 PolarHBondContact O-N 3.44Å; N748-F750 PolarHBondContact O-N 2.87Å; F750-R753 PolarHBondContact O-N 3.33Å; F750-L754 PolarHBondContact O-N 3.39Å; F750-L801 HydrophobicContact CD1-CD2 4.5Å; F750-H805 AromaticContact CZ-CD2 3.95Å
751	M	66.9	Low	66.8	Low	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-68	-40.2	-179.4	-161.5	61.9	74.3	0	0	113.1	H713 I716 F717 N747 N748 L749 R753 L754 A755 F793 V796 I800	H713-M751 HydrophobicContact CB-CE 4.19Å; H713-M751 HydrophobicContact CB-CG 4.43Å; H713-M751 WeakPolarHBondContact O-CG 3.28Å; I716-M751 HydrophobicContact CB-CG 4.15Å; I716-M751 HydrophobicContact CG2-CB 4.21Å; I716-M751 HydrophobicContact CG2-CG 3.95Å; F717-M751 HydrophobicContact CB-CG 4.23Å; F717-M751 HydrophobicContact CB-SD 3.81Å; F717-M751 HydrophobicContact CD2-SD 4Å; F717-M751 HydrophobicContact CG-SD 4.29Å; N747-M751 PolarHBondContact O-N 3.35Å; N747-M751 VanDerWaalsContact O-N 3.15Å; N748-M751 PolarHBondContact O-N 2.95Å; L749-M751 VanDerWaalsContact C-N 3.33Å; L749-M751 PolarHBondContact O-N 2.95Å; M751-R753 VanDerWaalsContact C-N 3.3Å; M751-R753 PolarHBondContact O-N 2.83Å; M751-L754 PolarHBondContact O-N 2.87Å; M751-L754 HydrophobicContact SD-CD2 4.05Å; M751-A755 WeakPolarHBondContact O-CB 3.43Å; M751-A755 PolarHBondContact O-N 3.49Å; M751-F793 HydrophobicContact CE-CE1 3.8Å; M751-F793 HydrophobicContact SD-CE1 4.01Å; M751-V796 HydrophobicContact CE-CG1 3.83Å; M751-I800 HydrophobicContact CE-CG2 4.4Å
752	V	69.3	Low	66.2	Low	0 Å²	0	28 Å²	28	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.2	-41	176.5	176.1	0	0	0	0	110.8	I716 L735 L738 A739 N748 L749 A755 Q756	I716-V752 HydrophobicContact CD1-CG2 3.83Å; I716-V752 HydrophobicContact CG1-CG2 4.31Å; I716-V752 VanDerWaalsContact CG2-CA 3.47Å; I716-V752 HydrophobicContact CG2-CB 4.14Å; I716-V752 HydrophobicContact CG2-CG2 3.65Å; L735-V752 VanDerWaalsContact O-CG1 3.27Å; L735-V752 WeakPolarHBondContact O-CG1 3.16Å; L738-V752 HydrophobicContact CB-CG2 4.32Å; A739-V752 HydrophobicContact CB-CG1 3.77Å; N748-V752 WeakPolarHBondContact O-CG2 3.47Å; N748-V752 PolarHBondContact O-N 3.32Å; L749-V752 PolarHBondContact O-N 2.81Å; V752-A755 PolarHBondContact O-N 2.97Å; V752-Q756 WeakPolarHBondContact O-CG 3.39Å; V752-Q756 PolarHBondContact O-N 3.34Å
753	R	70.3	Confident	66	Low	26 Å²	26	27.7 Å²	27.7	10%	0.098	15%	0.146	C	C	.	.	H	α-helix	trans	-70.2	-40.1	178.7	-72.1	179.3	179.3	173.8	2.6	112.4	Y339 M360 A363 V367 L749 F750 M751 A755 Q756 G757	Y339-R753 HydrophobicContact CD1-CG 4.41Å; Y339-R753 HydrophobicContact CE1-CB 4Å; Y339-R753 HydrophobicContact CE1-CG 3.67Å; M360-R753 PolarHBondContact SD-NH1 3.43Å; A363-R753 HydrophobicContact CB-CB 4.08Å; V367-R753 HydrophobicContact CG2-CB 4.41Å; V367-R753 WeakPolarHBondContact CG2-O 3.3Å; L749-R753 WeakPolarHBondContact O-CG 3.37Å; L749-R753 PolarHBondContact O-N 3.1Å; L749-R753 VanDerWaalsContact O-N 3.1Å; F750-R753 PolarHBondContact O-N 3.33Å; M751-R753 VanDerWaalsContact C-N 3.3Å; M751-R753 PolarHBondContact O-N 2.83Å; R753-A755 VanDerWaalsContact C-N 3.3Å; R753-A755 PolarHBondContact O-N 3.04Å; R753-Q756 WeakPolarHBondContact O-CB 3.23Å; R753-Q756 PolarHBondContact O-N 2.86Å; R753-G757 PolarHBondContact O-N 3.39Å
754	L	70.2	Confident	66	Low	1 Å²	1	25.4 Å²	25.4	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-56.7	-46.4	171.6	-177.4	65.9	0	0	0	110.9	F366 F370 F717 F750 M751 Q756 G757 L758 L808	F366-L754 HydrophobicContact CB-CD1 4.01Å; F366-L754 HydrophobicContact CG-CD1 4.33Å; F370-L754 HydrophobicContact CD2-CD1 4.1Å; F370-L754 HydrophobicContact CE2-CD1 3.47Å; F370-L754 VanDerWaalsContact CE2-CD1 3.47Å; F370-L754 HydrophobicContact CZ-CD1 4.44Å; F717-L754 HydrophobicContact CD2-CD2 3.95Å; F717-L754 HydrophobicContact CE2-CD2 3.95Å; F750-L754 PolarHBondContact O-N 3.39Å; M751-L754 PolarHBondContact O-N 2.87Å; M751-L754 HydrophobicContact SD-CD2 4.05Å; L754-Q756 PolarHBondContact O-N 3.37Å; L754-G757 PolarHBondContact O-N 2.87Å; L754-L758 WeakPolarHBondContact O-CG 2.71Å; L754-L758 PolarHBondContact O-N 3.37Å; L754-L808 HydrophobicContact CD1-CD1 4.28Å; L754-L808 HydrophobicContact CD2-CD1 3.71Å; L754-L808 HydrophobicContact CD2-CD2 4.35Å
755	A	70.4	Confident	65.9	Low	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-61.5	-40.3	176.2	0	0	0	0	0	112.6	I716 L735 M751 V752 R753 L758 T759	I716-A755 HydrophobicContact CG2-CB 4.13Å; I716-A755 WeakPolarHBondContact O-CB 3.42Å; L735-A755 HydrophobicContact CD1-CB 4.29Å; L735-A755 HydrophobicContact CD2-CB 3.99Å; M751-A755 WeakPolarHBondContact O-CB 3.43Å; M751-A755 PolarHBondContact O-N 3.49Å; V752-A755 PolarHBondContact O-N 2.97Å; R753-A755 VanDerWaalsContact C-N 3.3Å; R753-A755 PolarHBondContact O-N 3.04Å; A755-L758 PolarHBondContact O-N 3.07Å; A755-T759 WeakPolarHBondContact O-CG2 3.35Å; A755-T759 PolarHBondContact O-N 3.01Å; A755-T759 PolarHBondContact O-OG1 3.21Å
756	Q	70.1	Confident	65.5	Low	6 Å²	6	12.4 Å²	12.4	3%	0.028	7%	0.069	C	C	.	.	H	α-helix	trans	-62.5	-41.7	173.6	-72.3	171.4	-13.8	0	0	112.1	I338 Y339 L735 V752 R753 L754 T759 H760	I338-Q756 HydrophobicContact CG2-CB 4.44Å; Y339-Q756 VanDerWaalsContact CD1-OE1 3.27Å; L735-Q756 HydrophobicContact CB-CG 3.79Å; L735-Q756 HydrophobicContact CD1-CG 4.02Å; L735-Q756 HydrophobicContact CG-CG 4.49Å; V752-Q756 WeakPolarHBondContact O-CG 3.39Å; V752-Q756 PolarHBondContact O-N 3.34Å; R753-Q756 WeakPolarHBondContact O-CB 3.23Å; R753-Q756 PolarHBondContact O-N 2.86Å; L754-Q756 PolarHBondContact O-N 3.37Å; Q756-T759 WeakPolarHBondContact CA-OG1 3.17Å; Q756-T759 PolarHBondContact O-N 3.49Å; Q756-T759 PolarHBondContact O-OG1 3.32Å; Q756-H760 PolarHBondContact O-CD2 2.99Å; Q756-H760 PolarHBondContact O-N 3.18Å
757	G	66.6	Low	65.1	Low	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-58.9	-45.6	173.5	0	0	0	0	0	112.3	R753 L754 H760 L761	R753-G757 PolarHBondContact O-N 3.39Å; L754-G757 PolarHBondContact O-N 2.87Å; G757-H760 CarbonylContact O-C 3.59Å; G757-H760 PolarHBondContact O-N 2.95Å; G757-L761 PolarHBondContact O-N 3.46Å; G757-L761 VanDerWaalsContact O-N 3.13Å
758	L	68.3	Low	64.6	Low	1 Å²	1	6.9 Å²	6.9	1%	0.005	4%	0.036	C	C	.	.	H	α-helix	trans	-63	-41.4	176.1	-69.5	173.5	0	0	0	112.5	F370 F717 S724 G725 L754 A755 H760 L761 L811	F370-L758 HydrophobicContact CD1-CD2 4.15Å; F370-L758 HydrophobicContact CD2-CD2 4.33Å; F370-L758 HydrophobicContact CE1-CD2 4.15Å; F370-L758 HydrophobicContact CE2-CD2 4.36Å; F370-L758 HydrophobicContact CG-CD2 4.25Å; F370-L758 HydrophobicContact CZ-CD2 4.27Å; F717-L758 HydrophobicContact CD2-CD1 4.22Å; F717-L758 HydrophobicContact CE2-CD1 3.59Å; F717-L758 HydrophobicContact CZ-CD1 4.16Å; S724-L758 VanDerWaalsContact CA-O 3.26Å; S724-L758 WeakPolarHBondContact CA-O 3.35Å; G725-L758 PolarHBondContact N-O 3Å; G725-L758 VanDerWaalsContact N-O 3.12Å; L754-L758 WeakPolarHBondContact O-CG 2.71Å; L754-L758 PolarHBondContact O-N 3.37Å; A755-L758 PolarHBondContact O-N 3.07Å; L758-H760 PolarHBondContact O-N 2.66Å; L758-H760 VanDerWaalsContact O-N 3.14Å; L758-L761 VanDerWaalsContact O-CB 3.23Å; L758-L761 WeakPolarHBondContact O-CB 3.46Å; L758-L761 PolarHBondContact O-N 3.09Å; L758-L761 VanDerWaalsContact O-N 3.08Å; L758-L811 HydrophobicContact CD2-CD2 3.53Å
759	T	69.3	Low	63.8	Low	2 Å²	2	7.1 Å²	7.1	1%	0.012	4%	0.037	C	C	.	.	H	α-helix	trans	-61.6	-24.8	176.9	54.6	0	0	0	0	113.9	N727 L731 L735 A755 Q756	N727-T759 PolarHBondContact N-O 3.35Å; N727-T759 PolarHBondContact OD1-O 3.36Å; L731-T759 HydrophobicContact CD2-CG2 3.46Å; L731-T759 VanDerWaalsContact CD2-CG2 3.46Å; L731-T759 HydrophobicContact CG-CG2 4.03Å; L735-T759 HydrophobicContact CD1-CG2 3.68Å; A755-T759 WeakPolarHBondContact O-CG2 3.35Å; A755-T759 PolarHBondContact O-N 3.01Å; A755-T759 PolarHBondContact O-OG1 3.21Å; Q756-T759 WeakPolarHBondContact CA-OG1 3.17Å; Q756-T759 PolarHBondContact O-N 3.49Å; Q756-T759 PolarHBondContact O-OG1 3.32Å
760	H	67.1	Low	63.3	Low	38 Å²	38	6 Å²	6	18%	0.176	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	19.9	178.8	-68.5	-62.4	0	0	0	113	I338 V371 N727 Q756 G757 L758 G762 K763	I338-H760 HydrophobicContact CD1-CB 4.27Å; I338-H760 VanDerWaalsContact CG2-CD2 3.46Å; I338-H760 WeakPolarHBondContact CG2-CD2 3.36Å; V371-H760 HydrophobicContact CG2-CB 4.18Å; N727-H760 WeakPolarHBondContact OD1-CA 3.39Å; N727-H760 PolarHBondContact OD1-ND1 3.28Å; Q756-H760 PolarHBondContact O-CD2 2.99Å; Q756-H760 PolarHBondContact O-N 3.18Å; G757-H760 CarbonylContact O-C 3.59Å; G757-H760 PolarHBondContact O-N 2.95Å; L758-H760 PolarHBondContact O-N 2.66Å; L758-H760 VanDerWaalsContact O-N 3.14Å; H760-G762 PolarHBondContact O-N 2.93Å; H760-K763 WeakPolarHBondContact O-CA 3.44Å; H760-K763 PolarHBondContact O-N 2.72Å
761	L	64.3	Low	62.6	Low	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.037	C	C	.	.	G	3₁₀ helix	trans	-50.3	126	-179.9	-169.4	75.6	0	0	0	111.6	F370 G757 L758 K763 G764 L766 L768 M815	F370-L761 HydrophobicContact CB-CD1 3.8Å; F370-L761 HydrophobicContact CD1-CD1 3.59Å; F370-L761 HydrophobicContact CG-CD1 4.08Å; F370-L761 WeakPolarHBondContact O-CA 3.47Å; G757-L761 PolarHBondContact O-N 3.46Å; G757-L761 VanDerWaalsContact O-N 3.13Å; L758-L761 VanDerWaalsContact O-CB 3.23Å; L758-L761 WeakPolarHBondContact O-CB 3.46Å; L758-L761 PolarHBondContact O-N 3.09Å; L758-L761 VanDerWaalsContact O-N 3.08Å; L761-K763 PolarHBondContact O-N 3.25Å; L761-K763 VanDerWaalsContact O-N 3.15Å; L761-G764 WeakPolarHBondContact O-CA 3.38Å; L761-G764 PolarHBondContact O-N 3.1Å; L761-L766 HydrophobicContact CD2-CB 3.95Å; L761-L766 HydrophobicContact CG-CB 4.03Å; L761-L768 HydrophobicContact CD2-CD1 4.43Å; L761-L768 HydrophobicContact CD2-CD2 4Å; L761-L768 HydrophobicContact CD2-CG 3.97Å; L761-M815 HydrophobicContact CD1-CE 3.55Å; L761-M815 HydrophobicContact CD1-SD 4.15Å; L761-M815 HydrophobicContact CD2-CE 4.05Å; L761-M815 HydrophobicContact CD2-CG 4.23Å; L761-M815 HydrophobicContact CG-CE 3.88Å
762	G	56.5	Low	61.9	Low	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.043	C	C	.	.	G	3₁₀ helix	trans	54.4	31.5	-177.5	0	0	0	0	0	113.3	F370 F375 H760 G764 T765	F370-G762 PolarHBondContact O-N 3.46Å; F375-G762 WeakPolarHBondContact CE2-O 3.22Å; H760-G762 PolarHBondContact O-N 2.93Å; G762-G764 PolarHBondContact O-N 3.21Å; G762-T765 PolarHBondContact O-N 3.24Å; G762-T765 PolarHBondContact O-OG1 3.2Å
763	K	60.8	Low	60.7	Low	8 Å²	8	9.2 Å²	9.2	4%	0.035	5%	0.047	C	C	.	.	G	3₁₀ helix	trans	57.2	17.7	-172.4	-54.4	170.4	-171.2	177.2	0	113.9	I329 M330 E331 K333 V371 N372 F375 N727 H760 L761	I329-K763 HydrophobicContact CG2-CB 3.7Å; I329-K763 HydrophobicContact CG2-CD 3.28Å; I329-K763 HydrophobicContact CG2-CG 4.11Å; I329-K763 WeakPolarHBondContact O-CD 3.31Å; I329-K763 PolarHBondContact O-NZ 3.44Å; M330-K763 PolarHBondContact O-NZ 2.97Å; E331-K763 PolarHBondContact O-NZ 3.48Å; K333-K763 HydrophobicContact CD-CG 4.45Å; V371-K763 HydrophobicContact CG1-CG 4.4Å; V371-K763 WeakPolarHBondContact O-CG 3.17Å; V371-K763 PolarHBondContact O-N 2.65Å; N372-K763 WeakPolarHBondContact OD1-CE 3.49Å; F375-K763 HydrophobicContact CD2-CD 4.5Å; F375-K763 HydrophobicContact CE2-CD 4.21Å; F375-K763 HydrophobicContact CE2-CG 4.34Å; F375-K763 HydrophobicContact CZ-CD 4.22Å; N727-K763 PolarHBondContact ND2-O 3.3Å; H760-K763 WeakPolarHBondContact O-CA 3.44Å; H760-K763 PolarHBondContact O-N 2.72Å; L761-K763 PolarHBondContact O-N 3.25Å; L761-K763 VanDerWaalsContact O-N 3.15Å
764	G	58.8	Low	59.6	Low	10 Å²	10	10.7 Å²	10.7	10%	0.103	6%	0.057	C	C	.	.	G	3₁₀ helix	trans	101.7	5.2	-177.6	0	0	0	0	0	115.3	G725 N727 L761 G762	G725-G764 CarbonylContact O-C 3.58Å; G725-G764 WeakPolarHBondContact O-CA 3.38Å; N727-G764 WeakPolarHBondContact ND2-CA 3.22Å; L761-G764 WeakPolarHBondContact O-CA 3.38Å; L761-G764 PolarHBondContact O-N 3.1Å; G762-G764 PolarHBondContact O-N 3.21Å
765	T	56.7	Low	58.8	Low	2 Å²	2	13.3 Å²	13.3	1%	0.012	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-14.7	-179.5	65.6	0	0	0	0	113.4	F320 L323 F375 G762 R818 L863	F320-T765 WeakPolarHBondContact CE2-OG1 3.5Å; F320-T765 VanDerWaalsContact CZ-OG1 3.25Å; F320-T765 WeakPolarHBondContact CZ-OG1 3.46Å; L323-T765 HydrophobicContact CD2-CG2 4.43Å; F375-T765 HydrophobicContact CZ-CG2 4.2Å; G762-T765 PolarHBondContact O-N 3.24Å; G762-T765 PolarHBondContact O-OG1 3.2Å; T765-R818 PolarHBondContact O-N 3.27Å; T765-L863 HydrophobicContact CG2-CD1 4.14Å; T765-L863 HydrophobicContact CG2-CD2 4.15Å
766	L	59.4	Low	57.7	Low	4 Å²	4	16.4 Å²	16.4	2%	0.021	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	142.7	-176.9	-61.9	176.8	0	0	0	111.2	F320 A373 G725 L761 M815 Q816 P817	F320-L766 HydrophobicContact CE2-CD2 3.96Å; F320-L766 HydrophobicContact CZ-CD2 4.09Å; F320-L766 HydrophobicContact CZ-CG 4.43Å; A373-L766 HydrophobicContact CB-CD1 3.69Å; G725-L766 VanDerWaalsContact CA-O 3.23Å; G725-L766 WeakPolarHBondContact CA-O 3.47Å; L761-L766 HydrophobicContact CD2-CB 3.95Å; L761-L766 HydrophobicContact CG-CB 4.03Å; L766-M815 HydrophobicContact CD1-CE 3.41Å; L766-M815 VanDerWaalsContact CD1-CE 3.41Å; L766-Q816 CarbonylContact C-O 3.51Å; L766-Q816 WeakPolarHBondContact CA-O 3.5Å; L766-P817 HydrophobicContact CD2-CB 3.99Å
767	T	55.8	Low	56.8	Low	8 Å²	8	16.4 Å²	16.4	5%	0.049	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	160.9	173.6	32.6	0	0	0	0	112.4	M815 Q816 R818	T767-M815 WeakPolarHBondContact O-CA 3.35Å; T767-Q816 PolarHBondContact N-O 3.3Å; T767-Q816 PolarHBondContact O-N 2.94Å; T767-Q816 PolarHBondContact OG1-O 3.49Å; T767-R818 HydrophobicContact CG2-CG 3.27Å; T767-R818 WeakPolarHBondContact OG1-CG 3.32Å
768	L	57.1	Low	56.3	Low	0 Å²	0	18 Å²	18	0%	0	9%	0.089	C	C	.	.			trans	-108.9	14.7	173	-60.1	174.7	0	0	0	112.6	V689 S690 S724 L761 P770 L786 L811 A814 M815	V689-L768 HydrophobicContact CG1-CB 3.65Å; V689-L768 WeakPolarHBondContact CG1-O 3.44Å; S690-L768 PolarHBondContact OG-N 3.13Å; S724-L768 WeakPolarHBondContact OG-CD1 3.31Å; L761-L768 HydrophobicContact CD2-CD1 4.43Å; L761-L768 HydrophobicContact CD2-CD2 4Å; L761-L768 HydrophobicContact CD2-CG 3.97Å; L768-P770 WeakPolarHBondContact O-CD 3.45Å; L768-L786 HydrophobicContact CB-CD2 4.5Å; L768-L811 HydrophobicContact CD1-CD1 3.89Å; L768-L811 HydrophobicContact CD1-CD2 3.61Å; L768-L811 HydrophobicContact CD1-CG 3.83Å; L768-L811 HydrophobicContact CD2-CD1 4.08Å; L768-L811 HydrophobicContact CD2-CD2 4.16Å; L768-L811 HydrophobicContact CD2-CG 3.65Å; L768-L811 HydrophobicContact CG-CG 4.38Å; L768-A814 WeakPolarHBondContact CA-O 3.28Å; L768-A814 HydrophobicContact CD2-CB 4.29Å; L768-M815 HydrophobicContact CD2-CB 4.42Å; L768-M815 HydrophobicContact CD2-CG 3.51Å
769	C	50.4	Low	55.7	Low	13 Å²	13	18.1 Å²	18.1	9%	0.088	9%	0.091	C	C	.	.			trans	-66.2	118.7	-177.1	-70.8	0	0	0	0	109.7	V689 S690 Y771 H772	V689-C769 PolarHBondContact O-SG 3.43Å; V689-C769 VanDerWaalsContact O-SG 3.4Å; S690-C769 VanDerWaalsContact CB-SG 3.57Å; C769-Y771 PolarHBondContact O-N 2.99Å; C769-H772 PolarHBondContact O-CE1 3.36Å
770	P	54.4	Low	55.3	Low	3 Å²	3	19.1 Å²	19.1	2%	0.019	10%	0.095	C	C	.	.	S	Bend	trans	-74.5	-6.4	177.1	24.8	-27.1	0	0	0	113.6	M652 L768 S779 A782 V783 L786	M652-P770 HydrophobicContact CE-CG 3.47Å; M652-P770 VanDerWaalsContact CE-CG 3.47Å; L768-P770 WeakPolarHBondContact O-CD 3.45Å; P770-S779 PolarHBondContact O-N 3.23Å; P770-A782 HydrophobicContact CB-CB 3.91Å; P770-V783 HydrophobicContact CB-CG2 3.55Å; P770-V783 HydrophobicContact CG-CG2 4.25Å; P770-L786 HydrophobicContact CB-CD1 3.92Å; P770-L786 HydrophobicContact CG-CD1 3.57Å
771	Y	53	Low	54.8	Low	31 Å²	31	18.3 Å²	18.3	12%	0.122	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	136.6	178.2	-69.1	-91.7	0	0	0	111.8	M652 G653 C769 R775 L777 M778	M652-Y771 HydrophobicContact CB-CE2 3.87Å; M652-Y771 VanDerWaalsContact CB-OH 3.3Å; M652-Y771 WeakPolarHBondContact CB-OH 2.91Å; M652-Y771 HydrophobicContact CE-CD2 4.36Å; M652-Y771 HydrophobicContact CE-CE2 3.73Å; M652-Y771 PolarHBondContact O-OH 3.09Å; G653-Y771 WeakPolarHBondContact CA-OH 3.4Å; G653-Y771 PolarHBondContact N-OH 2.9Å; C769-Y771 PolarHBondContact O-N 2.99Å; Y771-R775 HydrophobicContact CD1-CG 4.39Å; Y771-R775 VanDerWaalsContact CD1-O 3.28Å; Y771-R775 WeakPolarHBondContact CD1-O 3.34Å; Y771-R775 HydrophobicContact CG-CG 4.21Å; Y771-L777 VanDerWaalsContact CA-O 3.27Å; Y771-L777 WeakPolarHBondContact CA-O 3.33Å; Y771-M778 HydrophobicContact CD1-CB 4.13Å; Y771-M778 HydrophobicContact CE1-CB 3.81Å; Y771-M778 HydrophobicContact CE1-CE 4.04Å; Y771-M778 HydrophobicContact CE1-CG 4.24Å; Y771-M778 HydrophobicContact CE2-CE 4.42Å; Y771-M778 WeakPolarHBondContact OH-CE 3.48Å
772	H	50.4	Low	54.4	Low	27 Å²	27	18.3 Å²	18.3	13%	0.125	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	163.4	173.1	-64.2	83.7	0	0	0	110.3	C769 L777 Q816	C769-H772 PolarHBondContact O-CE1 3.36Å; H772-L777 PolarHBondContact N-O 2.97Å; H772-L777 WeakPolarHBondContact O-CB 3.25Å; H772-L777 PolarHBondContact O-N 2.96Å; H772-L777 VanDerWaalsContact O-N 3.15Å; H772-Q816 PolarHBondContact CE1-NE2 3.44Å; H772-Q816 PolarHBondContact CE1-OE1 3.22Å; H772-Q816 PolarHBondContact NE2-OE1 2.95Å
773	S	45.3	Very low	54.6	Low	14 Å²	14	18.4 Å²	18.4	10%	0.098	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	70.9	179.1	-57.1	0	0	0	0	112.1	R775 Q776 E885	S773-R775 VanDerWaalsContact C-N 3.31Å; S773-R775 PolarHBondContact O-N 2.77Å; S773-Q776 WeakPolarHBondContact O-CB 3.42Å; S773-Q776 PolarHBondContact O-N 2.93Å; S773-E885 VanDerWaalsContact CA-OE2 3.27Å; S773-E885 WeakPolarHBondContact CA-OE2 3.23Å; S773-E885 PolarHBondContact N-OE2 3.15Å
774	D	47.8	Very low	54.3	Low	57 Å²	57	18 Å²	18	31%	0.305	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	37.7	175	-157.9	46.4	0	0	0	114.1	Q776 R869 I883 E885	D774-Q776 PolarHBondContact O-N 2.93Å; D774-Q776 VanDerWaalsContact O-N 3.08Å; D774-R869 IonicContact OD1-CZ 2.62Å; D774-R869 IonicContact OD1-NE 3.91Å; D774-R869 PolarHBondContact OD1-NE 2.66Å; D774-R869 IonicContact OD1-NH2 2.86Å; D774-R869 PolarHBondContact OD1-NH2 2.7Å; D774-R869 IonicContact OD2-CZ 3.5Å; D774-R869 IonicContact OD2-NH2 2.92Å; D774-R869 PolarHBondContact OD2-NH2 2.64Å; D774-I883 HydrophobicContact CB-CD1 4.25Å; D774-E885 PolarHBondContact N-OE1 2.86Å
775	R	51.4	Low	54.1	Low	56 Å²	56	17.6 Å²	17.6	21%	0.211	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	8.6	177.2	-139.4	175	-174.5	-177.6	-5.4	115.1	E655 Y771 S773	E655-R775 IonicContact OE1-NH1 3.05Å; E655-R775 PolarHBondContact OE1-NH1 3.29Å; Y771-R775 HydrophobicContact CD1-CG 4.39Å; Y771-R775 VanDerWaalsContact CD1-O 3.28Å; Y771-R775 WeakPolarHBondContact CD1-O 3.34Å; Y771-R775 HydrophobicContact CG-CG 4.21Å; S773-R775 VanDerWaalsContact C-N 3.31Å; S773-R775 PolarHBondContact O-N 2.77Å
776	Q	48.2	Very low	54.2	Low	64 Å²	64	17.5 Å²	17.5	30%	0.299	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-30.3	-174.3	-79.9	-164.8	1.9	0	0	113.3	M261 S773 D774	M261-Q776 HydrophobicContact CE-CB 3.42Å; M261-Q776 VanDerWaalsContact CE-CB 3.42Å; M261-Q776 HydrophobicContact CE-CG 4.04Å; M261-Q776 WeakPolarHBondContact CE-O 3.4Å; S773-Q776 WeakPolarHBondContact O-CB 3.42Å; S773-Q776 PolarHBondContact O-N 2.93Å; D774-Q776 PolarHBondContact O-N 2.93Å; D774-Q776 VanDerWaalsContact O-N 3.08Å
777	L	51.9	Low	54.1	Low	6 Å²	6	17.5 Å²	17.5	3%	0.031	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	117.5	173.4	-65.7	178.5	0	0	0	110.4	R257 L260 M261 Y771 H772	R257-L777 HydrophobicContact CG-CD1 3.93Å; R257-L777 HydrophobicContact CG-CD2 3.84Å; R257-L777 HydrophobicContact CG-CG 3.85Å; R257-L777 WeakPolarHBondContact O-CD2 3.29Å; L260-L777 HydrophobicContact CB-CD2 3.93Å; L260-L777 HydrophobicContact CD1-CD1 4.36Å; M261-L777 HydrophobicContact CG-CD2 3.9Å; Y771-L777 VanDerWaalsContact CA-O 3.27Å; Y771-L777 WeakPolarHBondContact CA-O 3.33Å; H772-L777 PolarHBondContact N-O 2.97Å; H772-L777 WeakPolarHBondContact O-CB 3.25Å; H772-L777 PolarHBondContact O-N 2.96Å; H772-L777 VanDerWaalsContact O-N 3.15Å
778	M	55.1	Low	54.2	Low	34 Å²	34	17.1 Å²	17.1	17%	0.167	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	118.8	165.5	-174.7	-172.1	-77.3	0	0	108.5	H291 A591 Y771 Q780 V783	H291-M778 PolarHBondContact NE2-O 3.45Å; A591-M778 HydrophobicContact CB-CE 4.43Å; A591-M778 HydrophobicContact CB-SD 4.49Å; Y771-M778 HydrophobicContact CD1-CB 4.13Å; Y771-M778 HydrophobicContact CE1-CB 3.81Å; Y771-M778 HydrophobicContact CE1-CE 4.04Å; Y771-M778 HydrophobicContact CE1-CG 4.24Å; Y771-M778 HydrophobicContact CE2-CE 4.42Å; Y771-M778 WeakPolarHBondContact OH-CE 3.48Å; M778-Q780 PolarHBondContact O-N 3.17Å; M778-V783 HydrophobicContact CG-CG2 3.64Å; M778-V783 HydrophobicContact SD-CG2 3.83Å
779	S	57	Low	54.4	Low	4 Å²	4	17.1 Å²	17.1	3%	0.028	8%	0.084	C	C	.	.			trans	-78.9	113.8	166.9	177.9	0	0	0	0	108.6	H291 P770 V781 A782 V783	H291-S779 PolarHBondContact O-OG 2.78Å; P770-S779 PolarHBondContact O-N 3.23Å; S779-V781 VanDerWaalsContact C-N 3.27Å; S779-V781 PolarHBondContact O-N 3.4Å; S779-A782 PolarHBondContact O-N 3.29Å; S779-V783 WeakPolarHBondContact O-CG2 3.43Å; S779-V783 PolarHBondContact O-N 2.82Å; S779-V783 VanDerWaalsContact O-N 3.14Å
780	Q	59.7	Low	54.7	Low	22 Å²	22	16.5 Å²	16.5	10%	0.103	8%	0.08	C	C	.	.	H	α-helix	trans	-63.2	-34.3	-178.3	-72.7	178.2	0	0	0	112.1	N263 V517 L557 M778 V783 A784	N263-Q780 PolarHBondContact ND2-NE2 2.83Å; V517-Q780 HydrophobicContact CB-CB 4.46Å; V517-Q780 HydrophobicContact CG1-CB 3.63Å; V517-Q780 PolarHBondContact O-OE1 3.21Å; L557-Q780 HydrophobicContact CD2-CB 3.86Å; L557-Q780 HydrophobicContact CD2-CG 3.98Å; M778-Q780 PolarHBondContact O-N 3.17Å; Q780-V783 PolarHBondContact O-N 3.43Å; Q780-A784 WeakPolarHBondContact O-CB 3.32Å; Q780-A784 PolarHBondContact O-N 3.45Å
781	V	56.4	Low	54.7	Low	21 Å²	21	16.5 Å²	16.5	13%	0.127	8%	0.08	C	C	.	.	H	α-helix	trans	-67.8	-41.5	177.7	179.4	0	0	0	0	111.9	A480 S779 A784 G785 A813	A480-V781 HydrophobicContact CB-CG1 3.7Å; S779-V781 VanDerWaalsContact C-N 3.27Å; S779-V781 PolarHBondContact O-N 3.4Å; V781-A784 WeakPolarHBondContact O-CB 3.25Å; V781-A784 PolarHBondContact O-N 3.27Å; V781-G785 PolarHBondContact O-N 3.26Å; V781-A813 HydrophobicContact CG1-CB 4.2Å
782	A	56.8	Low	54.8	Low	0 Å²	0	15 Å²	15	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-68.5	-38.3	176.9	0	0	0	0	0	112.1	P770 S779 A784 G785 L786 A814	P770-A782 HydrophobicContact CB-CB 3.91Å; S779-A782 PolarHBondContact O-N 3.29Å; A782-A784 VanDerWaalsContact C-N 3.35Å; A782-G785 PolarHBondContact O-N 3.37Å; A782-L786 WeakPolarHBondContact O-CG 3.37Å; A782-L786 PolarHBondContact O-N 3.06Å; A782-A814 HydrophobicContact CB-CB 4.06Å
783	V	59.8	Low	55	Low	2 Å²	2	13.8 Å²	13.8	1%	0.012	7%	0.068	C	C	.	.	H	α-helix	trans	-63.9	-41.3	172.3	174.7	0	0	0	0	110.9	L557 L649 P770 M778 S779 Q780 L786 L787	L557-V783 HydrophobicContact CD1-CG1 4.25Å; L557-V783 HydrophobicContact CD2-CB 4.22Å; L557-V783 HydrophobicContact CD2-CG1 4.12Å; L649-V783 HydrophobicContact CD2-CG1 4.15Å; P770-V783 HydrophobicContact CB-CG2 3.55Å; P770-V783 HydrophobicContact CG-CG2 4.25Å; M778-V783 HydrophobicContact CG-CG2 3.64Å; M778-V783 HydrophobicContact SD-CG2 3.83Å; S779-V783 WeakPolarHBondContact O-CG2 3.43Å; S779-V783 PolarHBondContact O-N 2.82Å; S779-V783 VanDerWaalsContact O-N 3.14Å; Q780-V783 PolarHBondContact O-N 3.43Å; V783-L786 PolarHBondContact O-N 3.35Å; V783-L787 HydrophobicContact CG1-CD1 3.65Å; V783-L787 HydrophobicContact CG1-CG 4.11Å; V783-L787 VanDerWaalsContact O-CB 3.32Å; V783-L787 WeakPolarHBondContact O-CB 3.35Å; V783-L787 VanDerWaalsContact O-CG 3.3Å; V783-L787 WeakPolarHBondContact O-CG 3.32Å; V783-L787 PolarHBondContact O-N 3.31Å
784	A	55.3	Low	55.5	Low	1 Å²	1	14.6 Å²	14.6	1%	0.008	7%	0.072	C	C	.	.	H	α-helix	trans	-59.4	-49	175.1	0	0	0	0	0	111.6	M514 V517 L554 Q780 V781 A782 L786 L787 T788	M514-A784 HydrophobicContact CG-CB 4.46Å; V517-A784 HydrophobicContact CG2-CB 3.85Å; L554-A784 HydrophobicContact CD1-CB 4.09Å; L554-A784 HydrophobicContact CD2-CB 3.68Å; L554-A784 HydrophobicContact CG-CB 4.41Å; Q780-A784 WeakPolarHBondContact O-CB 3.32Å; Q780-A784 PolarHBondContact O-N 3.45Å; V781-A784 WeakPolarHBondContact O-CB 3.25Å; V781-A784 PolarHBondContact O-N 3.27Å; A782-A784 VanDerWaalsContact C-N 3.35Å; A784-L786 PolarHBondContact O-N 3.17Å; A784-L787 PolarHBondContact O-N 3.29Å; A784-T788 WeakPolarHBondContact O-CG2 3.4Å; A784-T788 PolarHBondContact O-N 3.21Å
785	G	54.1	Low	55.9	Low	0 Å²	0	13 Å²	13	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-57.5	-44.5	175.5	0	0	0	0	0	113.2	V781 A782 T788 V789 G810	V781-G785 PolarHBondContact O-N 3.26Å; A782-G785 PolarHBondContact O-N 3.37Å; G785-T788 PolarHBondContact O-OG1 3.42Å; G785-V789 WeakPolarHBondContact O-CG2 3.5Å; G785-V789 PolarHBondContact O-N 3.13Å; G785-G810 VanDerWaalsContact CA-O 3.22Å; G785-G810 WeakPolarHBondContact CA-O 3.25Å
786	L	59.3	Low	56.1	Low	1 Å²	1	10.3 Å²	10.3	1%	0.005	5%	0.053	C	C	.	.	H	α-helix	trans	-67.4	-39.8	176.4	-72.4	165.9	0	0	0	112.7	V689 M721 L768 P770 A782 V783 A784 V789 L790 L811 A814	V689-L786 HydrophobicContact CG1-CD2 4.42Å; V689-L786 HydrophobicContact CG2-CD1 4.37Å; M721-L786 HydrophobicContact CE-CD2 4.03Å; M721-L786 HydrophobicContact SD-CD2 4.2Å; L768-L786 HydrophobicContact CB-CD2 4.5Å; P770-L786 HydrophobicContact CB-CD1 3.92Å; P770-L786 HydrophobicContact CG-CD1 3.57Å; A782-L786 WeakPolarHBondContact O-CG 3.37Å; A782-L786 PolarHBondContact O-N 3.06Å; V783-L786 PolarHBondContact O-N 3.35Å; A784-L786 PolarHBondContact O-N 3.17Å; L786-V789 PolarHBondContact O-N 2.86Å; L786-L790 HydrophobicContact CB-CD1 4.48Å; L786-L790 WeakPolarHBondContact O-CB 3.31Å; L786-L790 WeakPolarHBondContact O-CD1 2.95Å; L786-L790 WeakPolarHBondContact O-CG 3.4Å; L786-L790 PolarHBondContact O-N 3.44Å; L786-L811 HydrophobicContact CD2-CD1 3.65Å; L786-A814 HydrophobicContact CD1-CB 4.46Å; L786-A814 HydrophobicContact CD2-CB 4.43Å; L786-A814 HydrophobicContact CG-CB 3.94Å
787	L	56	Low	56.5	Low	3 Å²	3	12.2 Å²	12.2	2%	0.016	6%	0.06	C	C	.	.	H	α-helix	trans	-71	-36.6	-179.7	-75.3	176.8	0	0	0	113.1	L550 L554 L649 L686 V783 A784 V789 L790 V791	L550-L787 HydrophobicContact CD1-CB 4.32Å; L554-L787 HydrophobicContact CD2-CD1 4.24Å; L649-L787 HydrophobicContact CD1-CD1 3.9Å; L649-L787 HydrophobicContact CD1-CD2 3.7Å; L649-L787 HydrophobicContact CD1-CG 4.4Å; L649-L787 HydrophobicContact CD2-CD1 4.05Å; L649-L787 HydrophobicContact CD2-CD2 3.92Å; L649-L787 HydrophobicContact CD2-CG 4.24Å; L649-L787 HydrophobicContact CG-CD2 4.07Å; L686-L787 HydrophobicContact CD2-CD2 4.36Å; V783-L787 HydrophobicContact CG1-CD1 3.65Å; V783-L787 HydrophobicContact CG1-CG 4.11Å; V783-L787 VanDerWaalsContact O-CB 3.32Å; V783-L787 WeakPolarHBondContact O-CB 3.35Å; V783-L787 VanDerWaalsContact O-CG 3.3Å; V783-L787 WeakPolarHBondContact O-CG 3.32Å; V783-L787 PolarHBondContact O-N 3.31Å; A784-L787 PolarHBondContact O-N 3.29Å; L787-V789 PolarHBondContact O-N 3.42Å; L787-L790 PolarHBondContact O-N 3.35Å; L787-V791 WeakPolarHBondContact O-CB 3.4Å; L787-V791 VanDerWaalsContact O-CG2 3.31Å; L787-V791 WeakPolarHBondContact O-CG2 3.34Å; L787-V791 PolarHBondContact O-N 3.41Å
788	T	58.8	Low	56.7	Low	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-56.4	-41.4	172.8	66.2	0	0	0	0	111.5	L510 M514 L554 A784 G785 S792	L510-T788 HydrophobicContact CD1-CG2 3.45Å; L510-T788 VanDerWaalsContact CD1-CG2 3.45Å; L510-T788 HydrophobicContact CD2-CG2 3.92Å; L510-T788 HydrophobicContact CG-CG2 3.83Å; M514-T788 HydrophobicContact CG-CG2 4.27Å; M514-T788 HydrophobicContact SD-CG2 3.78Å; L554-T788 HydrophobicContact CD1-CG2 4.32Å; A784-T788 WeakPolarHBondContact O-CG2 3.4Å; A784-T788 PolarHBondContact O-N 3.21Å; G785-T788 PolarHBondContact O-OG1 3.42Å; T788-S792 VanDerWaalsContact O-CB 3.31Å; T788-S792 WeakPolarHBondContact O-CB 3.32Å; T788-S792 PolarHBondContact O-N 2.97Å; T788-S792 PolarHBondContact O-OG 3.36Å
789	V	61.1	Low	56.8	Low	1 Å²	1	15.1 Å²	15.1	1%	0.006	8%	0.077	C	C	.	.	H	α-helix	trans	-73.6	-49.4	179	176.4	0	0	0	0	110.6	F717 G785 L786 L787 V791 S792 F793 V807 L808 L811	F717-V789 HydrophobicContact CE1-CG1 4.18Å; F717-V789 HydrophobicContact CZ-CG1 3.9Å; G785-V789 WeakPolarHBondContact O-CG2 3.5Å; G785-V789 PolarHBondContact O-N 3.13Å; L786-V789 PolarHBondContact O-N 2.86Å; L787-V789 PolarHBondContact O-N 3.42Å; V789-V791 PolarHBondContact O-N 2.71Å; V789-S792 CarbonylContact O-C 3.59Å; V789-S792 WeakPolarHBondContact O-CA 3.33Å; V789-S792 WeakPolarHBondContact O-CB 3.47Å; V789-S792 PolarHBondContact O-N 2.92Å; V789-S792 VanDerWaalsContact O-N 3.1Å; V789-F793 HydrophobicContact CG1-CD2 3.78Å; V789-F793 HydrophobicContact CG1-CE2 3.46Å; V789-F793 VanDerWaalsContact CG1-CE2 3.46Å; V789-F793 WeakPolarHBondContact O-CD2 3.27Å; V789-F793 PolarHBondContact O-N 3.41Å; V789-V807 WeakPolarHBondContact CG2-O 3.17Å; V789-L808 HydrophobicContact CG1-CD2 4.2Å; V789-L811 HydrophobicContact CG2-CB 4.31Å; V789-L811 HydrophobicContact CG2-CD1 4.46Å
790	L	56.4	Low	56.8	Low	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-65.1	-40.7	-176.4	-72.8	167.1	0	0	0	113.8	L682 L686 M721 L786 L787 S792 F793	L682-L790 HydrophobicContact CB-CD2 4.01Å; L682-L790 HydrophobicContact CD2-CD2 4.2Å; L686-L790 HydrophobicContact CB-CD1 3.91Å; L686-L790 HydrophobicContact CD1-CD1 3.58Å; L686-L790 HydrophobicContact CD2-CD1 3.92Å; L686-L790 HydrophobicContact CG-CD1 3.99Å; M721-L790 HydrophobicContact CE-CD1 4.23Å; M721-L790 HydrophobicContact CE-CD2 3.67Å; M721-L790 HydrophobicContact CE-CG 4.02Å; L786-L790 HydrophobicContact CB-CD1 4.48Å; L786-L790 WeakPolarHBondContact O-CB 3.31Å; L786-L790 WeakPolarHBondContact O-CD1 2.95Å; L786-L790 WeakPolarHBondContact O-CG 3.4Å; L786-L790 PolarHBondContact O-N 3.44Å; L787-L790 PolarHBondContact O-N 3.35Å; L790-S792 PolarHBondContact O-N 3.24Å; L790-F793 PolarHBondContact O-N 2.81Å; L790-F793 VanDerWaalsContact O-N 3.11Å
791	V	55.1	Low	56.4	Low	2 Å²	2	14.5 Å²	14.5	1%	0.012	7%	0.073	C	C	.	.	H	α-helix	trans	-67.3	-29.1	174.9	174.4	0	0	0	0	110.7	L550 L787 V789 F793 L794	L550-V791 HydrophobicContact CD1-CG2 4.16Å; L550-V791 HydrophobicContact CD2-CB 3.96Å; L550-V791 HydrophobicContact CD2-CG1 4.18Å; L550-V791 HydrophobicContact CD2-CG2 4.11Å; L787-V791 WeakPolarHBondContact O-CB 3.4Å; L787-V791 VanDerWaalsContact O-CG2 3.31Å; L787-V791 WeakPolarHBondContact O-CG2 3.34Å; L787-V791 PolarHBondContact O-N 3.41Å; V789-V791 PolarHBondContact O-N 2.71Å; V791-F793 VanDerWaalsContact C-N 3.33Å; V791-L794 HydrophobicContact CB-CD1 4.41Å; V791-L794 HydrophobicContact CG1-CD1 4.16Å; V791-L794 WeakPolarHBondContact O-CB 3.48Å; V791-L794 PolarHBondContact O-N 2.63Å
792	S	55.1	Low	56.5	Low	1 Å²	1	15 Å²	15	1%	0.007	8%	0.083	C	C	.	.	H	α-helix	trans	-73.8	-22.1	173.4	-60.9	0	0	0	0	113.2	W547 T788 V789 L790 L794 V807	W547-S792 PolarHBondContact NE1-OG 3.42Å; T788-S792 VanDerWaalsContact O-CB 3.31Å; T788-S792 WeakPolarHBondContact O-CB 3.32Å; T788-S792 PolarHBondContact O-N 2.97Å; T788-S792 PolarHBondContact O-OG 3.36Å; V789-S792 CarbonylContact O-C 3.59Å; V789-S792 WeakPolarHBondContact O-CA 3.33Å; V789-S792 WeakPolarHBondContact O-CB 3.47Å; V789-S792 PolarHBondContact O-N 2.92Å; V789-S792 VanDerWaalsContact O-N 3.1Å; L790-S792 PolarHBondContact O-N 3.24Å; S792-L794 VanDerWaalsContact C-N 3.32Å; S792-V807 WeakPolarHBondContact OG-CG1 3.48Å
793	F	54.1	Low	56.3	Low	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-79.9	-7.1	171.8	-83	-80.3	0	0	0	114	L682 N714 F717 M751 V789 L790 V791 D795 V796 I800 L808	L682-F793 HydrophobicContact CD1-CB 3.55Å; L682-F793 HydrophobicContact CD2-CB 3.76Å; L682-F793 HydrophobicContact CD2-CG 4.17Å; L682-F793 HydrophobicContact CG-CB 4.31Å; N714-F793 PolarHBondContact ND2-O 3.25Å; N714-F793 PolarHBondContact OD1-O 3.43Å; F717-F793 HydrophobicContact CB-CD1 4.46Å; F717-F793 HydrophobicContact CB-CE1 3.92Å; F717-F793 HydrophobicContact CB-CZ 4.24Å; F717-F793 HydrophobicContact CD1-CD1 4.08Å; F717-F793 AromaticContact CD1-CD2 3.76Å; F717-F793 HydrophobicContact CD1-CD2 3.76Å; F717-F793 AromaticContact CD1-CE1 3.76Å; F717-F793 HydrophobicContact CD1-CE1 3.76Å; F717-F793 AromaticContact CD1-CE2 3.46Å; F717-F793 HydrophobicContact CD1-CE2 3.46Å; F717-F793 VanDerWaalsContact CD1-CE2 3.46Å; F717-F793 HydrophobicContact CD1-CG 4.1Å; F717-F793 AromaticContact CD1-CZ 3.46Å; F717-F793 HydrophobicContact CD1-CZ 3.46Å; F717-F793 VanDerWaalsContact CD1-CZ 3.46Å; F717-F793 AromaticContact CD2-CE1 3.77Å; F717-F793 HydrophobicContact CD2-CE1 3.77Å; F717-F793 AromaticContact CD2-CE2 3.91Å; F717-F793 HydrophobicContact CD2-CE2 3.91Å; F717-F793 AromaticContact CD2-CZ 3.24Å; F717-F793 HydrophobicContact CD2-CZ 3.24Å; F717-F793 AromaticContact CE1-CD2 3.52Å; F717-F793 HydrophobicContact CE1-CD2 3.52Å; F717-F793 HydrophobicContact CE1-CE1 4.25Å; F717-F793 AromaticContact CE1-CE2 3.08Å; F717-F793 HydrophobicContact CE1-CE2 3.08Å; F717-F793 HydrophobicContact CE1-CG 4.32Å; F717-F793 AromaticContact CE1-CZ 3.51Å; F717-F793 HydrophobicContact CE1-CZ 3.51Å; F717-F793 HydrophobicContact CE2-CE1 4.25Å; F717-F793 AromaticContact CE2-CE2 3.56Å; F717-F793 HydrophobicContact CE2-CE2 3.56Å; F717-F793 AromaticContact CE2-CZ 3.27Å; F717-F793 HydrophobicContact CE2-CZ 3.27Å; F717-F793 HydrophobicContact CG-CD1 4.19Å; F717-F793 HydrophobicContact CG-CD2 4.45Å; F717-F793 AromaticContact CG-CE1 3.5Å; F717-F793 HydrophobicContact CG-CE1 3.5Å; F717-F793 AromaticContact CG-CE2 3.86Å; F717-F793 HydrophobicContact CG-CE2 3.86Å; F717-F793 AromaticContact CG-CZ 3.34Å; F717-F793 HydrophobicContact CG-CZ 3.34Å; F717-F793 HydrophobicContact CZ-CD2 4.05Å; F717-F793 HydrophobicContact CZ-CE1 4.48Å; F717-F793 AromaticContact CZ-CE2 3.15Å; F717-F793 HydrophobicContact CZ-CE2 3.15Å; F717-F793 AromaticContact CZ-CZ 3.42Å; F717-F793 HydrophobicContact CZ-CZ 3.42Å; F717-F793 VanDerWaalsContact CZ-CZ 3.42Å; M751-F793 HydrophobicContact CE-CE1 3.8Å; M751-F793 HydrophobicContact SD-CE1 4.01Å; V789-F793 HydrophobicContact CG1-CD2 3.78Å; V789-F793 HydrophobicContact CG1-CE2 3.46Å; V789-F793 VanDerWaalsContact CG1-CE2 3.46Å; V789-F793 WeakPolarHBondContact O-CD2 3.27Å; V789-F793 PolarHBondContact O-N 3.41Å; L790-F793 PolarHBondContact O-N 2.81Å; L790-F793 VanDerWaalsContact O-N 3.11Å; V791-F793 VanDerWaalsContact C-N 3.33Å; F793-D795 PolarHBondContact O-N 3.12Å; F793-V796 HydrophobicContact CD1-CG2 4.32Å; F793-V796 VanDerWaalsContact O-CG2 3.27Å; F793-V796 WeakPolarHBondContact O-CG2 3.32Å; F793-I800 HydrophobicContact CB-CD1 4.16Å; F793-I800 HydrophobicContact CD1-CD1 3.18Å; F793-I800 HydrophobicContact CD2-CD1 3.58Å; F793-I800 HydrophobicContact CE1-CD1 3.21Å; F793-I800 HydrophobicContact CE1-CG2 4.33Å; F793-I800 HydrophobicContact CE2-CD1 3.56Å; F793-I800 HydrophobicContact CG-CD1 3.35Å; F793-I800 HydrophobicContact CZ-CD1 3.39Å; F793-I800 HydrophobicContact CZ-CG2 4.44Å; F793-L808 HydrophobicContact CE2-CD2 3.66Å; F793-L808 HydrophobicContact CZ-CD2 3.66Å
794	L	56	Low	56	Low	32 Å²	32	20.5 Å²	20.5	17%	0.168	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-67.7	-18.5	171.3	-68.7	161.8	0	0	0	112.6	V642 L645 A679 V791 S792	V642-L794 HydrophobicContact CG2-CD1 3.88Å; L645-L794 HydrophobicContact CD1-CD1 3.9Å; L645-L794 HydrophobicContact CD1-CD2 4.05Å; L645-L794 HydrophobicContact CD1-CG 4.09Å; A679-L794 HydrophobicContact CB-CD2 4.18Å; V791-L794 HydrophobicContact CB-CD1 4.41Å; V791-L794 HydrophobicContact CG1-CD1 4.16Å; V791-L794 WeakPolarHBondContact O-CB 3.48Å; V791-L794 PolarHBondContact O-N 2.63Å; S792-L794 VanDerWaalsContact C-N 3.32Å
795	D	56.3	Low	56.1	Low	22 Å²	22	21 Å²	21	12%	0.118	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-136.1	77.3	169.4	-174.5	0.2	0	0	0	111.5	T543 F793 K797 N798 I799	T543-D795 HydrophobicContact CG2-CB 4.05Å; T543-D795 WeakPolarHBondContact CG2-OD2 3.13Å; F793-D795 PolarHBondContact O-N 3.12Å; D795-K797 PolarHBondContact O-N 3.31Å; D795-K797 PolarHBondContact OD1-N 3Å; D795-N798 PolarHBondContact OD1-N 3.19Å; D795-N798 PolarHBondContact OD1-ND2 3.1Å; D795-N798 WeakPolarHBondContact OD2-CB 3.41Å; D795-N798 PolarHBondContact OD2-ND2 3.39Å; D795-I799 HydrophobicContact CB-CD1 4.22Å; D795-I799 HydrophobicContact CB-CG1 4.31Å; D795-I799 WeakPolarHBondContact O-CB 3.24Å; D795-I799 PolarHBondContact O-N 3.2Å; D795-I799 VanDerWaalsContact O-N 3.15Å
796	V	56.3	Low	56.2	Low	1 Å²	1	21.7 Å²	21.7	1%	0.006	11%	0.112	C	C	.	.	I	π-helix	trans	-60.6	-32.5	-177.2	-165	0	0	0	0	112.5	H713 N714 M751 F793 I800 L801	H713-V796 HydrophobicContact CB-CG1 4.08Å; N714-V796 WeakPolarHBondContact OD1-CG2 3.42Å; M751-V796 HydrophobicContact CE-CG1 3.83Å; F793-V796 HydrophobicContact CD1-CG2 4.32Å; F793-V796 VanDerWaalsContact O-CG2 3.27Å; F793-V796 WeakPolarHBondContact O-CG2 3.32Å; V796-I800 HydrophobicContact CG1-CB 4.44Å; V796-I800 PolarHBondContact O-N 3.43Å; V796-L801 HydrophobicContact CG1-CD1 3.84Å; V796-L801 HydrophobicContact CG1-CG 4.24Å; V796-L801 WeakPolarHBondContact O-CB 3.48Å; V796-L801 PolarHBondContact O-N 2.85Å
797	K	55.1	Low	56.2	Low	103 Å²	103	21.8 Å²	21.8	45%	0.448	11%	0.113	S	C	.	.	I	π-helix	trans	-73.2	-41.4	-172.9	-78.5	-179.5	177.7	159.4	0	112.4	E710 D795	E710-K797 HydrophobicContact CG-CD 4.31Å; E710-K797 HydrophobicContact CG-CG 4.37Å; E710-K797 VanDerWaalsContact OE1-CD 3.26Å; E710-K797 WeakPolarHBondContact OE1-CD 3.49Å; E710-K797 WeakPolarHBondContact OE1-CE 3.35Å; E710-K797 IonicContact OE1-NZ 3.55Å; E710-K797 PolarHBondContact OE1-NZ 3.44Å; D795-K797 PolarHBondContact O-N 3.31Å; D795-K797 PolarHBondContact OD1-N 3Å
798	N	56.4	Low	56.3	Low	97 Å²	97	22 Å²	22	52%	0.519	11%	0.114	S	C	.	.	I	π-helix	trans	-91.9	-41	-176.1	-65.5	-39.6	0	0	0	112.8	D795 G802	D795-N798 PolarHBondContact OD1-N 3.19Å; D795-N798 PolarHBondContact OD1-ND2 3.1Å; D795-N798 WeakPolarHBondContact OD2-CB 3.41Å; D795-N798 PolarHBondContact OD2-ND2 3.39Å; N798-G802 WeakPolarHBondContact O-CA 3.32Å
799	I	56.7	Low	56.3	Low	5 Å²	5	22 Å²	22	3%	0.026	11%	0.114	C	C	.	.	I	π-helix	trans	-82.9	-54.8	-173.1	-52.7	179.9	0	0	0	110.5	T543 W547 D795 S804	T543-I799 HydrophobicContact CG2-CD1 3.41Å; T543-I799 VanDerWaalsContact CG2-CD1 3.41Å; T543-I799 HydrophobicContact CG2-CG1 3.44Å; T543-I799 VanDerWaalsContact CG2-CG1 3.44Å; W547-I799 HydrophobicContact CZ2-CG2 3.99Å; D795-I799 HydrophobicContact CB-CD1 4.22Å; D795-I799 HydrophobicContact CB-CG1 4.31Å; D795-I799 WeakPolarHBondContact O-CB 3.24Å; D795-I799 PolarHBondContact O-N 3.2Å; D795-I799 VanDerWaalsContact O-N 3.15Å; I799-S804 CarbonylContact O-C 3.36Å; I799-S804 VanDerWaalsContact O-CA 3.32Å; I799-S804 WeakPolarHBondContact O-CA 3.4Å; I799-S804 WeakPolarHBondContact O-CB 3.35Å; I799-S804 PolarHBondContact O-N 2.91Å
800	I	57.2	Low	55.9	Low	3 Å²	3	22 Å²	22	2%	0.015	11%	0.114	C	C	.	.	I	π-helix	trans	-93.1	-40.8	-167	-57.8	178.1	0	0	0	112.1	M751 F793 V796 H805 L808	M751-I800 HydrophobicContact CE-CG2 4.4Å; F793-I800 HydrophobicContact CB-CD1 4.16Å; F793-I800 HydrophobicContact CD1-CD1 3.18Å; F793-I800 HydrophobicContact CD2-CD1 3.58Å; F793-I800 HydrophobicContact CE1-CD1 3.21Å; F793-I800 HydrophobicContact CE1-CG2 4.33Å; F793-I800 HydrophobicContact CE2-CD1 3.56Å; F793-I800 HydrophobicContact CG-CD1 3.35Å; F793-I800 HydrophobicContact CZ-CD1 3.39Å; F793-I800 HydrophobicContact CZ-CG2 4.44Å; V796-I800 HydrophobicContact CG1-CB 4.44Å; V796-I800 PolarHBondContact O-N 3.43Å; I800-H805 PolarHBondContact O-CD2 3.45Å; I800-H805 PolarHBondContact O-CE1 3.34Å; I800-H805 PolarHBondContact O-NE2 3.44Å; I800-L808 HydrophobicContact CG2-CD1 4.49Å
801	L	52.4	Low	56	Low	9 Å²	9	22.1 Å²	22.1	5%	0.047	12%	0.115	C	C	.	.	I	π-helix	trans	-86.3	-8.8	176.7	-72.3	161.1	0	0	0	113.4	R359 N747 F750 V796	R359-L801 PolarHBondContact NH2-O 3.48Å; R359-L801 VanDerWaalsContact NH2-O 3.11Å; N747-L801 HydrophobicContact CB-CD1 4.36Å; N747-L801 HydrophobicContact CB-CD2 3.74Å; F750-L801 HydrophobicContact CD1-CD2 4.5Å; V796-L801 HydrophobicContact CG1-CD1 3.84Å; V796-L801 HydrophobicContact CG1-CG 4.24Å; V796-L801 WeakPolarHBondContact O-CB 3.48Å; V796-L801 PolarHBondContact O-N 2.85Å
802	G	57.4	Low	56	Low	33 Å²	33	22.2 Å²	22.2	34%	0.34	12%	0.115	S	C	.	.	I	π-helix	trans	-98.8	-99.4	-175.5	0	0	0	0	0	112.9	N798 H805	N798-G802 WeakPolarHBondContact O-CA 3.32Å; G802-H805 PolarHBondContact O-CE1 3.41Å; G802-H805 VanDerWaalsContact O-CE1 3.28Å
803	K	52.4	Low	55.9	Low	114 Å²	114	23.1 Å²	23.1	50%	0.496	12%	0.122	S	C	.	.	I	π-helix	trans	-111.9	-26.7	-169.9	-66.7	-178.4	-177.4	176.9	0	114.5	H395 H805	H395-K803 PolarHBondContact CD2-O 2.94Å; K803-H805 PolarHBondContact O-N 2.92Å
804	S	53.4	Low	56	Low	2 Å²	2	23.1 Å²	23.1	1%	0.014	12%	0.122	C	C	.	.			trans	-110.1	50.3	-163.5	-56.6	0	0	0	0	113.6	Y544 I799 Y806 V807	Y544-S804 PolarHBondContact OH-OG 3.12Å; I799-S804 CarbonylContact O-C 3.36Å; I799-S804 VanDerWaalsContact O-CA 3.32Å; I799-S804 WeakPolarHBondContact O-CA 3.4Å; I799-S804 WeakPolarHBondContact O-CB 3.35Å; I799-S804 PolarHBondContact O-N 2.91Å; S804-Y806 PolarHBondContact O-N 3.42Å; S804-V807 PolarHBondContact O-N 3.26Å
805	H	57.8	Low	56.3	Low	13 Å²	13	21.8 Å²	21.8	6%	0.06	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-64.9	-17.8	175.9	-55.3	80.3	0	0	0	112.9	F366 F750 I800 G802 K803 V807 L808	F366-H805 HydrophobicContact CE2-CB 4.05Å; F366-H805 HydrophobicContact CZ-CB 3.83Å; F366-H805 WeakPolarHBondContact CZ-O 3.4Å; F750-H805 AromaticContact CZ-CD2 3.95Å; I800-H805 PolarHBondContact O-CD2 3.45Å; I800-H805 PolarHBondContact O-CE1 3.34Å; I800-H805 PolarHBondContact O-NE2 3.44Å; G802-H805 PolarHBondContact O-CE1 3.41Å; G802-H805 VanDerWaalsContact O-CE1 3.28Å; K803-H805 PolarHBondContact O-N 2.92Å; H805-V807 PolarHBondContact O-N 3.2Å; H805-L808 PolarHBondContact O-N 3.39Å
806	Y	57.3	Low	56.5	Low	13 Å²	13	22 Å²	22	5%	0.051	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-68.5	-19.7	178.3	61.8	-95.2	0	0	0	113.5	L398 I469 F473 V507 S804 L808 Y809	L398-Y806 HydrophobicContact CD2-CD1 4.5Å; L398-Y806 HydrophobicContact CD2-CG 4.47Å; I469-Y806 HydrophobicContact CG2-CE1 4.46Å; I469-Y806 HydrophobicContact CG2-CE2 4.02Å; F473-Y806 HydrophobicContact CD1-CD2 4.1Å; F473-Y806 HydrophobicContact CE1-CD2 4.31Å; V507-Y806 HydrophobicContact CG2-CE2 4.35Å; S804-Y806 PolarHBondContact O-N 3.42Å; Y806-L808 PolarHBondContact O-N 2.86Å; Y806-Y809 VanDerWaalsContact O-CB 3.29Å; Y806-Y809 WeakPolarHBondContact O-CB 3.2Å; Y806-Y809 WeakPolarHBondContact O-CD2 3.39Å; Y806-Y809 PolarHBondContact O-N 3.24Å
807	V	58.6	Low	56.7	Low	4 Å²	4	23 Å²	23	2%	0.024	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-66.3	-23.3	178.6	-178.9	0	0	0	0	111.6	W547 V789 S792 S804 H805 Y809 G810	W547-V807 HydrophobicContact CH2-CG2 3.91Å; W547-V807 HydrophobicContact CZ2-CG2 3.82Å; V789-V807 WeakPolarHBondContact CG2-O 3.17Å; S792-V807 WeakPolarHBondContact OG-CG1 3.48Å; S804-V807 PolarHBondContact O-N 3.26Å; H805-V807 PolarHBondContact O-N 3.2Å; V807-Y809 PolarHBondContact O-N 3.36Å; V807-G810 PolarHBondContact O-N 3.17Å
808	L	58.1	Low	56.9	Low	8 Å²	8	19.7 Å²	19.7	4%	0.042	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-61.7	-20.6	171.2	-64.2	174	0	0	0	112.7	F366 F717 L754 V789 F793 I800 H805 Y806 G810 L811	F366-L808 HydrophobicContact CE1-CB 4.35Å; F366-L808 HydrophobicContact CE1-CD1 4.3Å; F366-L808 HydrophobicContact CZ-CD1 4.28Å; F717-L808 HydrophobicContact CE2-CD2 4.31Å; L754-L808 HydrophobicContact CD1-CD1 4.28Å; L754-L808 HydrophobicContact CD2-CD1 3.71Å; L754-L808 HydrophobicContact CD2-CD2 4.35Å; V789-L808 HydrophobicContact CG1-CD2 4.2Å; F793-L808 HydrophobicContact CE2-CD2 3.66Å; F793-L808 HydrophobicContact CZ-CD2 3.66Å; I800-L808 HydrophobicContact CG2-CD1 4.49Å; H805-L808 PolarHBondContact O-N 3.39Å; Y806-L808 PolarHBondContact O-N 2.86Å; L808-G810 VanDerWaalsContact C-N 3.26Å; L808-L811 WeakPolarHBondContact O-CB 3.18Å; L808-L811 PolarHBondContact O-N 3.46Å
809	Y	58.8	Low	57.3	Low	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-77.3	-9.8	172.7	-60.1	-51.4	0	0	0	113.6	F366 S399 A402 S403 M406 L436 I440 Y806 V807 L811 V812	F366-Y809 AromaticContact CD1-CE1 3.89Å; F366-Y809 HydrophobicContact CD1-CE1 3.89Å; F366-Y809 AromaticContact CD1-CZ 3.86Å; F366-Y809 HydrophobicContact CE1-CD1 4.47Å; F366-Y809 AromaticContact CE1-CE1 3.63Å; F366-Y809 HydrophobicContact CE1-CE1 3.63Å; F366-Y809 AromaticContact CE1-CE2 3.82Å; F366-Y809 HydrophobicContact CE1-CE2 3.82Å; F366-Y809 AromaticContact CE1-CZ 3.31Å; F366-Y809 VanDerWaalsContact CE1-OH 3.27Å; F366-Y809 WeakPolarHBondContact CE1-OH 3.38Å; F366-Y809 HydrophobicContact CZ-CE2 4.38Å; S399-Y809 PolarHBondContact O-OH 2.67Å; A402-Y809 HydrophobicContact CB-CD2 3.77Å; A402-Y809 HydrophobicContact CB-CE2 3.3Å; S403-Y809 WeakPolarHBondContact CB-OH 3.36Å; S403-Y809 PolarHBondContact N-OH 3.38Å; M406-Y809 HydrophobicContact CE-CD1 3.99Å; M406-Y809 HydrophobicContact CE-CE1 3.34Å; M406-Y809 HydrophobicContact CG-CD1 4.03Å; M406-Y809 HydrophobicContact CG-CE1 4.12Å; M406-Y809 HydrophobicContact SD-CD1 3.36Å; M406-Y809 WeakPolarHBondContact SD-CD1 3.21Å; M406-Y809 HydrophobicContact SD-CE1 3.39Å; M406-Y809 WeakPolarHBondContact SD-CE1 3.48Å; L436-Y809 HydrophobicContact CD2-CD2 3.92Å; I440-Y809 HydrophobicContact CD1-CD1 4.39Å; I440-Y809 HydrophobicContact CD1-CG 4.01Å; Y806-Y809 VanDerWaalsContact O-CB 3.29Å; Y806-Y809 WeakPolarHBondContact O-CB 3.2Å; Y806-Y809 WeakPolarHBondContact O-CD2 3.39Å; Y806-Y809 PolarHBondContact O-N 3.24Å; V807-Y809 PolarHBondContact O-N 3.36Å; Y809-L811 PolarHBondContact O-N 3.24Å; Y809-L811 VanDerWaalsContact O-N 3.16Å; Y809-V812 VanDerWaalsContact O-CB 3.27Å; Y809-V812 WeakPolarHBondContact O-CB 3.43Å; Y809-V812 VanDerWaalsContact O-CG2 3.27Å; Y809-V812 WeakPolarHBondContact O-CG2 3.36Å; Y809-V812 PolarHBondContact O-N 3.17Å
810	G	53.9	Low	57.4	Low	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-59.5	-20.5	165.3	0	0	0	0	0	113	G785 V807 L808 V812 A813	G785-G810 VanDerWaalsContact CA-O 3.22Å; G785-G810 WeakPolarHBondContact CA-O 3.25Å; V807-G810 PolarHBondContact O-N 3.17Å; L808-G810 VanDerWaalsContact C-N 3.26Å; G810-V812 PolarHBondContact O-N 2.91Å; G810-A813 PolarHBondContact O-N 3.2Å
811	L	57.4	Low	57.7	Low	3 Å²	3	15.5 Å²	15.5	2%	0.016	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-65.3	-22.8	174.4	-156.8	63.8	0	0	0	113.1	F370 M721 L758 L768 L786 V789 L808 Y809 A813 A814 M815	F370-L811 HydrophobicContact CE1-CD2 4.45Å; M721-L811 HydrophobicContact SD-CD1 4.26Å; L758-L811 HydrophobicContact CD2-CD2 3.53Å; L768-L811 HydrophobicContact CD1-CD1 3.89Å; L768-L811 HydrophobicContact CD1-CD2 3.61Å; L768-L811 HydrophobicContact CD1-CG 3.83Å; L768-L811 HydrophobicContact CD2-CD1 4.08Å; L768-L811 HydrophobicContact CD2-CD2 4.16Å; L768-L811 HydrophobicContact CD2-CG 3.65Å; L768-L811 HydrophobicContact CG-CG 4.38Å; L786-L811 HydrophobicContact CD2-CD1 3.65Å; V789-L811 HydrophobicContact CG2-CB 4.31Å; V789-L811 HydrophobicContact CG2-CD1 4.46Å; L808-L811 WeakPolarHBondContact O-CB 3.18Å; L808-L811 PolarHBondContact O-N 3.46Å; Y809-L811 PolarHBondContact O-N 3.24Å; Y809-L811 VanDerWaalsContact O-N 3.16Å; L811-A813 PolarHBondContact O-N 2.91Å; L811-A814 CarbonylContact O-C 3.32Å; L811-A814 WeakPolarHBondContact O-CA 3.48Å; L811-A814 WeakPolarHBondContact O-CB 3.18Å; L811-A814 PolarHBondContact O-N 2.99Å; L811-M815 WeakPolarHBondContact O-CG 3.38Å; L811-M815 PolarHBondContact O-N 3.38Å
812	V	55.4	Low	58.1	Low	4 Å²	4	15.1 Å²	15.1	2%	0.024	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-59.3	-37.5	177.5	173.7	0	0	0	0	111.2	M406 L409 I440 Y809 G810 A814 M815	M406-V812 HydrophobicContact CG-CG2 4.01Å; M406-V812 HydrophobicContact SD-CG2 4.12Å; L409-V812 HydrophobicContact CD1-CG1 3.5Å; L409-V812 VanDerWaalsContact CD1-CG1 3.5Å; I440-V812 HydrophobicContact CG1-CG2 4.47Å; I440-V812 HydrophobicContact CG2-CG1 4.03Å; I440-V812 HydrophobicContact CG2-CG2 4.09Å; Y809-V812 VanDerWaalsContact O-CB 3.27Å; Y809-V812 WeakPolarHBondContact O-CB 3.43Å; Y809-V812 VanDerWaalsContact O-CG2 3.27Å; Y809-V812 WeakPolarHBondContact O-CG2 3.36Å; Y809-V812 PolarHBondContact O-N 3.17Å; G810-V812 PolarHBondContact O-N 2.91Å; V812-A814 PolarHBondContact O-N 3.21Å; V812-A814 VanDerWaalsContact O-N 3.1Å; V812-M815 HydrophobicContact CG2-SD 4.22Å; V812-M815 WeakPolarHBondContact O-CB 3.25Å; V812-M815 PolarHBondContact O-N 2.96Å
813	A	53.7	Low	58.4	Low	19 Å²	19	13.6 Å²	13.6	16%	0.157	7%	0.067	C	C	.	.	G	3₁₀ helix	trans	-63.1	-17	176.2	0	0	0	0	0	113.2	L477 M514 V781 G810 L811	L477-A813 HydrophobicContact CD2-CB 4.18Å; M514-A813 HydrophobicContact CE-CB 3.95Å; V781-A813 HydrophobicContact CG1-CB 4.2Å; G810-A813 PolarHBondContact O-N 3.2Å; L811-A813 PolarHBondContact O-N 2.91Å
814	A	55.3	Low	58.9	Low	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.051	C	C	.	.	G	3₁₀ helix	trans	-102.7	-2.1	175.1	0	0	0	0	0	113.4	L768 A782 L786 L811 V812 Q816	L768-A814 WeakPolarHBondContact CA-O 3.28Å; L768-A814 HydrophobicContact CD2-CB 4.29Å; A782-A814 HydrophobicContact CB-CB 4.06Å; L786-A814 HydrophobicContact CD1-CB 4.46Å; L786-A814 HydrophobicContact CD2-CB 4.43Å; L786-A814 HydrophobicContact CG-CB 3.94Å; L811-A814 CarbonylContact O-C 3.32Å; L811-A814 WeakPolarHBondContact O-CA 3.48Å; L811-A814 WeakPolarHBondContact O-CB 3.18Å; L811-A814 PolarHBondContact O-N 2.99Å; V812-A814 PolarHBondContact O-N 3.21Å; V812-A814 VanDerWaalsContact O-N 3.1Å; A814-Q816 PolarHBondContact O-N 3.33Å
815	M	63.4	Low	59.1	Low	4 Å²	4	13.9 Å²	13.9	2%	0.02	7%	0.071	C	C	.	.			trans	-81.4	115.8	-178.3	-71.8	177.3	64.4	0	0	110.9	A373 L409 L761 L766 T767 L768 L811 V812	A373-M815 HydrophobicContact CB-CE 3.59Å; L409-M815 HydrophobicContact CD2-CE 4.4Å; L761-M815 HydrophobicContact CD1-CE 3.55Å; L761-M815 HydrophobicContact CD1-SD 4.15Å; L761-M815 HydrophobicContact CD2-CE 4.05Å; L761-M815 HydrophobicContact CD2-CG 4.23Å; L761-M815 HydrophobicContact CG-CE 3.88Å; L766-M815 HydrophobicContact CD1-CE 3.41Å; L766-M815 VanDerWaalsContact CD1-CE 3.41Å; T767-M815 WeakPolarHBondContact O-CA 3.35Å; L768-M815 HydrophobicContact CD2-CB 4.42Å; L768-M815 HydrophobicContact CD2-CG 3.51Å; L811-M815 WeakPolarHBondContact O-CG 3.38Å; L811-M815 PolarHBondContact O-N 3.38Å; V812-M815 HydrophobicContact CG2-SD 4.22Å; V812-M815 WeakPolarHBondContact O-CB 3.25Å; V812-M815 PolarHBondContact O-N 2.96Å
816	Q	59.8	Low	59.1	Low	28 Å²	28	19.3 Å²	19.3	13%	0.131	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	142.3	176.2	-82	152.3	-42.7	0	0	112.1	R290 L766 T767 H772 A814	R290-Q816 PolarHBondContact O-NE2 3.42Å; L766-Q816 CarbonylContact C-O 3.51Å; L766-Q816 WeakPolarHBondContact CA-O 3.5Å; T767-Q816 PolarHBondContact N-O 3.3Å; T767-Q816 PolarHBondContact O-N 2.94Å; T767-Q816 PolarHBondContact OG1-O 3.49Å; H772-Q816 PolarHBondContact CE1-NE2 3.44Å; H772-Q816 PolarHBondContact CE1-OE1 3.22Å; H772-Q816 PolarHBondContact NE2-OE1 2.95Å; A814-Q816 PolarHBondContact O-N 3.33Å
817	P	60.4	Low	59.1	Low	20 Å²	20	20 Å²	20	13%	0.13	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	130.4	176.6	29.9	-34	0	0	0	112	L316 F320 L766 M819	L316-P817 HydrophobicContact CD2-CG 4.23Å; F320-P817 HydrophobicContact CD2-CB 3.84Å; F320-P817 HydrophobicContact CE2-CB 3.95Å; L766-P817 HydrophobicContact CD2-CB 3.99Å; P817-M819 HydrophobicContact CB-CE 4.27Å; P817-M819 HydrophobicContact CB-CG 4.18Å; P817-M819 HydrophobicContact CB-SD 4.3Å; P817-M819 HydrophobicContact CG-CE 3.84Å; P817-M819 HydrophobicContact CG-CG 4.44Å; P817-M819 PolarHBondContact O-N 2.74Å
818	R	58.6	Low	59.3	Low	34 Å²	34	27.2 Å²	27.2	13%	0.128	13%	0.127	C	C	.	.			trans	-80.2	50.9	174.7	-57.7	-173.6	87.8	123.2	18.8	112	T765 T767 L863 L864 H866	T765-R818 PolarHBondContact O-N 3.27Å; T767-R818 HydrophobicContact CG2-CG 3.27Å; T767-R818 WeakPolarHBondContact OG1-CG 3.32Å; R818-L863 HydrophobicContact CB-CD2 4.32Å; R818-L863 WeakPolarHBondContact O-CA 3.36Å; R818-L863 WeakPolarHBondContact O-CD2 3.29Å; R818-L864 VanDerWaalsContact CZ-O 3.31Å; R818-L864 PolarHBondContact NE-O 3.07Å; R818-L864 PolarHBondContact NH2-O 3.05Å; R818-L864 PolarHBondContact O-N 3.49Å; R818-H866 VanDerWaalsContact NH2-CA 3.27Å
819	M	64.4	Low	59.5	Low	6 Å²	6	30.9 Å²	30.9	3%	0.03	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	142.9	-176.7	61.3	-174.4	175.7	0	0	112	L316 F320 L323 P817 V821 G886 F887	L316-M819 HydrophobicContact CD2-CE 4.47Å; L316-M819 HydrophobicContact CG-CE 4.16Å; F320-M819 HydrophobicContact CD2-SD 4.46Å; L323-M819 HydrophobicContact CD1-CB 3.33Å; L323-M819 HydrophobicContact CD1-CG 4.34Å; L323-M819 HydrophobicContact CD1-SD 4.12Å; P817-M819 HydrophobicContact CB-CE 4.27Å; P817-M819 HydrophobicContact CB-CG 4.18Å; P817-M819 HydrophobicContact CB-SD 4.3Å; P817-M819 HydrophobicContact CG-CE 3.84Å; P817-M819 HydrophobicContact CG-CG 4.44Å; P817-M819 PolarHBondContact O-N 2.74Å; M819-V821 HydrophobicContact CB-CG2 4.16Å; M819-V821 HydrophobicContact CG-CG2 4.09Å; M819-V821 HydrophobicContact SD-CG2 3.91Å; M819-G886 CarbonylContact O-C 3.35Å; M819-G886 WeakPolarHBondContact O-CA 3.42Å; M819-G886 PolarHBondContact O-N 3.3Å; M819-G886 VanDerWaalsContact O-N 3.17Å; M819-F887 HydrophobicContact CE-CE1 3.74Å; M819-F887 HydrophobicContact CE-CE2 3.85Å; M819-F887 HydrophobicContact CE-CZ 3.21Å
820	L	60.7	Low	59.9	Low	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	108.1	157.8	-178.6	66.8	0	0	0	107.5	V834 T860 P861 V862 L864 A870 L884 G886 V888	L820-V834 HydrophobicContact CD2-CG1 3.96Å; L820-V834 HydrophobicContact CD2-CG2 4.21Å; L820-T860 HydrophobicContact CD2-CG2 4.12Å; L820-T860 HydrophobicContact CG-CG2 4.22Å; L820-P861 VanDerWaalsContact O-CA 3.31Å; L820-P861 WeakPolarHBondContact O-CA 3.28Å; L820-V862 PolarHBondContact N-O 3.47Å; L820-V862 PolarHBondContact O-N 3.28Å; L820-V862 VanDerWaalsContact O-N 3.14Å; L820-L864 HydrophobicContact CB-CD1 3.99Å; L820-L864 HydrophobicContact CB-CG 4.24Å; L820-L864 HydrophobicContact CD2-CD1 4.43Å; L820-A870 HydrophobicContact CD2-CB 3.59Å; L820-L884 HydrophobicContact CD1-CB 4.09Å; L820-L884 HydrophobicContact CD2-CB 4.35Å; L820-G886 CarbonylContact C-O 3.51Å; L820-G886 WeakPolarHBondContact CA-O 3.39Å; L820-V888 HydrophobicContact CD1-CG2 3.86Å
821	V	62.1	Low	60.6	Low	11 Å²	11	37.4 Å²	37.4	7%	0.067	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	127.3	173.7	-176	0	0	0	0	107.6	L323 M819 F823 P861 G886 F887 V888	L323-V821 HydrophobicContact CD1-CG2 4.36Å; M819-V821 HydrophobicContact CB-CG2 4.16Å; M819-V821 HydrophobicContact CG-CG2 4.09Å; M819-V821 HydrophobicContact SD-CG2 3.91Å; V821-F823 HydrophobicContact CG1-CD1 4.42Å; V821-F823 HydrophobicContact CG1-CE1 3.87Å; V821-F823 HydrophobicContact CG1-CE2 4.47Å; V821-F823 HydrophobicContact CG1-CZ 3.89Å; V821-P861 HydrophobicContact CG2-CB 4.25Å; V821-G886 PolarHBondContact N-O 3.07Å; V821-F887 HydrophobicContact CB-CD1 3.93Å; V821-F887 HydrophobicContact CB-CE1 4.11Å; V821-F887 HydrophobicContact CG2-CE1 4.34Å; V821-F887 WeakPolarHBondContact O-CA 3.34Å; V821-V888 PolarHBondContact O-N 3.11Å; V821-V888 VanDerWaalsContact O-N 3.08Å
822	T	61.7	Low	61.1	Low	2 Å²	2	37.6 Å²	37.6	1%	0.012	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	131.9	177	40.6	0	0	0	0	109.6	L830 T860 V888 L890	T822-L830 PolarHBondContact O-N 3.4Å; T822-L830 PolarHBondContact OG1-O 2.66Å; T822-T860 HydrophobicContact CG2-CG2 3.99Å; T822-T860 WeakPolarHBondContact OG1-CB 3.43Å; T822-T860 PolarHBondContact OG1-OG1 3.08Å; T822-V888 CarbonylContact C-O 3.46Å; T822-V888 WeakPolarHBondContact CA-O 3Å; T822-V888 HydrophobicContact CG2-CB 4.43Å; T822-L890 HydrophobicContact CG2-CD1 3.78Å; T822-L890 HydrophobicContact CG2-CG 4.13Å
823	F	63.4	Low	61.9	Low	1 Å²	1	39.6 Å²	39.6	0%	0.004	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	150.1	176.6	-63.7	-62.7	0	0	0	111.4	F286 N319 V821 L827 R828 P829 F887 V888 L890	F286-F823 HydrophobicContact CZ-CE2 4.13Å; N319-F823 WeakPolarHBondContact ND2-CZ 3.44Å; V821-F823 HydrophobicContact CG1-CD1 4.42Å; V821-F823 HydrophobicContact CG1-CE1 3.87Å; V821-F823 HydrophobicContact CG1-CE2 4.47Å; V821-F823 HydrophobicContact CG1-CZ 3.89Å; F823-L827 WeakPolarHBondContact CD1-O 3.25Å; F823-R828 WeakPolarHBondContact CA-O 3.47Å; F823-P829 HydrophobicContact CD1-CB 4.44Å; F823-P829 HydrophobicContact CE1-CB 4.38Å; F823-F887 HydrophobicContact CD2-CB 4.33Å; F823-F887 HydrophobicContact CD2-CD1 4.1Å; F823-F887 HydrophobicContact CE2-CB 3.96Å; F823-F887 AromaticContact CE2-CD1 3.08Å; F823-F887 HydrophobicContact CE2-CD1 3.08Å; F823-F887 AromaticContact CE2-CE1 3.64Å; F823-F887 HydrophobicContact CE2-CE1 3.64Å; F823-F887 AromaticContact CE2-CG 3.77Å; F823-F887 HydrophobicContact CE2-CG 3.77Å; F823-F887 AromaticContact CZ-CD1 3.54Å; F823-F887 HydrophobicContact CZ-CD1 3.54Å; F823-F887 AromaticContact CZ-CE1 3.6Å; F823-F887 HydrophobicContact CZ-CE1 3.6Å; F823-V888 PolarHBondContact N-O 2.89Å; F823-L890 PolarHBondContact O-N 3.44Å
824	D	62.3	Low	62.6	Low	29 Å²	29	38.7 Å²	38.7	16%	0.155	20%	0.2	C	C	.	.			trans	-77.8	172.5	166.3	-156.1	-3	0	0	0	110.9	E826 L827 R828	D824-E826 PolarHBondContact O-N 3.15Å; D824-L827 PolarHBondContact O-N 2.85Å; D824-R828 PolarHBondContact N-O 3.27Å
825	E	58.5	Low	63.4	Low	92 Å²	92	42.5 Å²	42.5	43%	0.43	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-19.6	178.1	-66.6	176.4	-176.4	0	0	113.2	R891	E825-R891 HydrophobicContact CG-CG 4.25Å; E825-R891 WeakPolarHBondContact OE1-CG 3.5Å
826	E	56.8	Low	63.7	Low	127 Å²	127	43 Å²	43	59%	0.593	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105	22.5	178	-60.1	178.3	-173.1	0	0	113.8	D824 R828	D824-E826 PolarHBondContact O-N 3.15Å; E826-R828 PolarHBondContact O-N 3.31Å; E826-R828 VanDerWaalsContact O-N 3.11Å; E826-R828 IonicContact OE2-CZ 2.74Å; E826-R828 IonicContact OE2-NE 3.38Å; E826-R828 IonicContact OE2-NH2 3.1Å; E826-R828 PolarHBondContact OE2-NH2 2.6Å
827	L	58.2	Low	64.1	Low	29 Å²	29	42 Å²	42	15%	0.152	22%	0.215	C	C	.	.	S	Bend	trans	62.4	16.2	176.1	-62.3	163	0	0	0	115.6	K282 F286 I310 F823 D824	K282-L827 HydrophobicContact CD-CD1 4.2Å; K282-L827 HydrophobicContact CD-CD2 4.48Å; K282-L827 HydrophobicContact CD-CG 4.47Å; F286-L827 HydrophobicContact CE2-CD2 3.75Å; F286-L827 HydrophobicContact CZ-CD2 3.98Å; I310-L827 HydrophobicContact CD1-CD1 3.85Å; I310-L827 HydrophobicContact CD1-CD2 4.16Å; F823-L827 WeakPolarHBondContact CD1-O 3.25Å; D824-L827 PolarHBondContact O-N 2.85Å
828	R	62.6	Low	64.4	Low	154 Å²	154	47.4 Å²	47.4	58%	0.581	24%	0.238	S	C	*	.			trans	-86.3	136.8	175	-67.8	-172.1	-87.6	165.4	-5.8	110.4	F823 D824 E826 L830	F823-R828 WeakPolarHBondContact CA-O 3.47Å; D824-R828 PolarHBondContact N-O 3.27Å; E826-R828 PolarHBondContact O-N 3.31Å; E826-R828 VanDerWaalsContact O-N 3.11Å; E826-R828 IonicContact OE2-CZ 2.74Å; E826-R828 IonicContact OE2-NE 3.38Å; E826-R828 IonicContact OE2-NH2 3.1Å; E826-R828 PolarHBondContact OE2-NH2 2.6Å; R828-L830 PolarHBondContact O-N 3.34Å
829	P	62.7	Low	64.6	Low	86 Å²	86	47.7 Å²	47.7	56%	0.558	25%	0.248	S	C	*	.	B	Isolated β-bridge	trans	-64.4	123.4	179.1	25.8	-32.9	0	0	0	109.7	F823	F823-P829 HydrophobicContact CD1-CB 4.44Å; F823-P829 HydrophobicContact CE1-CB 4.38Å
830	L	67.6	Low	64.5	Low	38 Å²	38	49.4 Å²	49.4	20%	0.199	26%	0.259	C	S	.	.			trans	-112.2	117.7	-179.9	-169.2	79.8	0	0	0	109.1	T822 R828 V832 T860 Y877	T822-L830 PolarHBondContact O-N 3.4Å; T822-L830 PolarHBondContact OG1-O 2.66Å; R828-L830 PolarHBondContact O-N 3.34Å; L830-V832 HydrophobicContact CB-CG2 4.42Å; L830-V832 HydrophobicContact CD2-CG2 3.49Å; L830-V832 VanDerWaalsContact CD2-CG2 3.49Å; L830-V832 HydrophobicContact CG-CG2 3.86Å; L830-V832 PolarHBondContact O-N 3.48Å; L830-T860 PolarHBondContact O-OG1 3.22Å; L830-Y877 HydrophobicContact CD2-CD1 4.12Å; L830-Y877 HydrophobicContact CD2-CE1 3.58Å; L830-Y877 HydrophobicContact CD2-CE2 4.07Å
831	P	66.9	Low	64.6	Low	99 Å²	99	55 Å²	55	64%	0.643	29%	0.289	S	S	*	.			trans	-75.2	110.4	175.1	29.3	-31.9	0	0	0	109.7	T860	P831-T860 WeakPolarHBondContact CA-O 3.33Å
832	V	68.9	Low	64.5	Low	7 Å²	7	56.1 Å²	56.1	4%	0.042	30%	0.296	C	S	.	.			trans	-120	145.4	178.3	-177.4	0	0	0	0	109.6	L830 V834 T860 L872 Y877 L890	L830-V832 HydrophobicContact CB-CG2 4.42Å; L830-V832 HydrophobicContact CD2-CG2 3.49Å; L830-V832 VanDerWaalsContact CD2-CG2 3.49Å; L830-V832 HydrophobicContact CG-CG2 3.86Å; L830-V832 PolarHBondContact O-N 3.48Å; V832-V834 PolarHBondContact O-N 3.49Å; V832-T860 PolarHBondContact N-OG1 2.81Å; V832-T860 PolarHBondContact O-N 3.48Å; V832-T860 PolarHBondContact O-OG1 2.94Å; V832-L872 HydrophobicContact CB-CD2 4.42Å; V832-L872 HydrophobicContact CG1-CD2 3.62Å; V832-Y877 HydrophobicContact CG2-CD2 4.31Å; V832-L890 HydrophobicContact CB-CD1 4.02Å; V832-L890 HydrophobicContact CG1-CD1 4.27Å; V832-L890 HydrophobicContact CG2-CD1 3.53Å
833	S	71.8	Confident	63.9	Low	46 Å²	46	59.8 Å²	59.8	32%	0.322	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	125.5	177	-66.9	0	0	0	0	110.5	H858 A873	S833-H858 CarbonylContact C-O 3.6Å; S833-H858 WeakPolarHBondContact CA-O 3.47Å; S833-A873 WeakPolarHBondContact O-CB 3.44Å; S833-A873 PolarHBondContact O-N 3.17Å
834	V	68.3	Low	63.4	Low	0 Å²	0	63.7 Å²	63.7	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	134.5	-179.3	175.5	0	0	0	0	109.2	L820 V832 V836 T857 H858 T860 A870 E871 L872	L820-V834 HydrophobicContact CD2-CG1 3.96Å; L820-V834 HydrophobicContact CD2-CG2 4.21Å; V832-V834 PolarHBondContact O-N 3.49Å; V834-V836 HydrophobicContact CG1-CG2 4.31Å; V834-T857 CarbonylContact O-C 3.58Å; V834-T857 WeakPolarHBondContact O-CA 3.28Å; V834-H858 PolarHBondContact N-O 3.06Å; V834-H858 PolarHBondContact O-N 3.47Å; V834-H858 VanDerWaalsContact O-O 3.06Å; V834-T860 HydrophobicContact CB-CG2 4.38Å; V834-T860 HydrophobicContact CG2-CG2 3.55Å; V834-A870 HydrophobicContact CG1-CB 3.32Å; V834-E871 CarbonylContact C-O 3.52Å; V834-E871 WeakPolarHBondContact CA-O 3.26Å; V834-E871 WeakPolarHBondContact CG1-O 3.49Å; V834-L872 HydrophobicContact CG2-CD2 4.22Å
835	R	72.2	Confident	63.2	Low	79 Å²	79	67.3 Å²	67.3	30%	0.298	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	129.5	169.1	-70.4	-179.6	-179.4	155	5.7	109.6	I852 Q856 T857 A870 E871 A873	R835-I852 HydrophobicContact CB-CD1 3.72Å; R835-Q856 WeakPolarHBondContact CA-O 3.49Å; R835-T857 HydrophobicContact CG-CG2 3.66Å; R835-A870 CarbonylContact O-C 3.36Å; R835-A870 WeakPolarHBondContact O-CA 3.02Å; R835-E871 PolarHBondContact N-O 2.94Å; R835-E871 PolarHBondContact O-N 3.49Å; R835-A873 HydrophobicContact CG-CB 4.12Å
836	V	69.4	Low	62.6	Low	15 Å²	15	68.1 Å²	68.1	9%	0.091	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	135.2	176.9	-175.3	0	0	0	0	109.1	V834 Q856 V862 L864 E868 R869	V834-V836 HydrophobicContact CG1-CG2 4.31Å; V836-Q856 PolarHBondContact N-O 3.14Å; V836-Q856 VanDerWaalsContact N-O 3.1Å; V836-V862 HydrophobicContact CG2-CG1 4.49Å; V836-L864 HydrophobicContact CG1-CD2 3.91Å; V836-L864 HydrophobicContact CG2-CD2 3.95Å; V836-E868 HydrophobicContact CG1-CB 3.75Å; V836-E868 HydrophobicContact CG1-CG 4.24Å; V836-R869 WeakPolarHBondContact CA-O 3.46Å
837	G	68.9	Low	62.6	Low	7 Å²	7	65.3 Å²	65.3	7%	0.072	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	170.7	178	0	0	0	0	0	112.2	E868 R869	G837-E868 CarbonylContact O-C 3.54Å; G837-E868 VanDerWaalsContact O-CA 3.32Å; G837-E868 WeakPolarHBondContact O-CA 3.32Å; G837-R869 PolarHBondContact N-O 3.29Å; G837-R869 PolarHBondContact O-N 3.04Å
838	Q	66.6	Low	62.4	Low	133 Å²	133	74 Å²	74	62%	0.621	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.3	142.2	178.7	-55.4	-176.8	-38.3	0	0	110.9	V840 I852 T853 G867	Q838-V840 PolarHBondContact O-N 2.64Å; Q838-I852 WeakPolarHBondContact O-CA 3.44Å; Q838-T853 WeakPolarHBondContact CA-OG1 3.48Å; Q838-T853 VanDerWaalsContact CB-OG1 3.26Å; Q838-T853 WeakPolarHBondContact CB-OG1 3.44Å; Q838-T853 PolarHBondContact N-OG1 3.17Å; Q838-T853 PolarHBondContact O-N 3.02Å; Q838-T853 PolarHBondContact O-OG1 3.45Å; Q838-G867 WeakPolarHBondContact CA-O 3.36Å
839	A	62.3	Low	62.2	Low	41 Å²	41	68.8 Å²	68.8	34%	0.339	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	131.7	174.2	0	0	0	0	0	112	G867 R869	A839-G867 PolarHBondContact N-O 3.22Å; A839-R869 HydrophobicContact CB-CG 3.88Å; A839-R869 VanDerWaalsContact CB-NE 3.33Å
840	V	62.7	Low	62	Low	42 Å²	42	70.2 Å²	70.2	26%	0.255	42%	0.422	S	S	.	.			trans	-114.4	136.9	168.4	-175.5	0	0	0	0	108.6	Q838 V842 A851 T853 R869	Q838-V840 PolarHBondContact O-N 2.64Å; V840-V842 PolarHBondContact O-N 3.09Å; V840-A851 PolarHBondContact N-O 2.86Å; V840-T853 HydrophobicContact CG2-CG2 3.21Å; V840-R869 PolarHBondContact O-NH1 3.38Å
841	D	62.1	Low	61.8	Low	118 Å²	118	70 Å²	70	63%	0.631	43%	0.425	S	S	*	.			trans	-71.3	119	169.7	-165.4	-4.9	0	0	0	109.6	V843	D841-V843 WeakPolarHBondContact OD1-CB 3.48Å; D841-V843 WeakPolarHBondContact OD1-CG2 3.41Å; D841-V843 PolarHBondContact OD1-N 3.2Å; D841-V843 VanDerWaalsContact OD1-N 3.12Å
842	V	60	Low	61.7	Low	34 Å²	34	66 Å²	66	21%	0.206	40%	0.399	C	S	.	.			trans	-97.6	-0.6	-175.8	-68.4	0	0	0	0	112.4	V840 G844 Q845 P849 A851	V840-V842 PolarHBondContact O-N 3.09Å; V842-G844 PolarHBondContact O-N 2.64Å; V842-Q845 PolarHBondContact O-N 3.38Å; V842-P849 HydrophobicContact CB-CB 4.02Å; V842-P849 HydrophobicContact CB-CG 3.67Å; V842-P849 HydrophobicContact CG1-CB 3.87Å; V842-P849 HydrophobicContact CG1-CG 3.97Å; V842-A851 HydrophobicContact CG1-CB 4.38Å
843	V	50.1	Low	61.4	Low	79 Å²	79	69.6 Å²	69.6	48%	0.479	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	125	-179.7	177	0	0	0	0	110.2	D841	D841-V843 WeakPolarHBondContact OD1-CB 3.48Å; D841-V843 WeakPolarHBondContact OD1-CG2 3.41Å; D841-V843 PolarHBondContact OD1-N 3.2Å; D841-V843 VanDerWaalsContact OD1-N 3.12Å
844	G	53.5	Low	60.7	Low	83 Å²	83	68.6 Å²	68.6	86%	0.856	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.1	1.6	177	0	0	0	0	0	116.3	V842	V842-G844 PolarHBondContact O-N 2.64Å
845	Q	56.2	Low	60.3	Low	104 Å²	104	76.6 Å²	76.6	49%	0.486	45%	0.453	S	S	.	.			trans	-83.2	131.6	174.4	-67	-173	14	0	0	111.8	V842 P849	V842-Q845 PolarHBondContact O-N 3.38Å; Q845-P849 HydrophobicContact CB-CB 3.78Å; Q845-P849 HydrophobicContact CB-CG 4.11Å; Q845-P849 HydrophobicContact CG-CB 4.49Å
846	A	46.2	Very low	59.8	Low	110 Å²	110	79.2 Å²	79.2	91%	0.909	47%	0.468	S	S	*	.	S	Bend	trans	-75.9	126.4	176.3	0	0	0	0	0	111.5
847	G	57.3	Low	59.9	Low	68 Å²	68	82.3 Å²	82.3	70%	0.701	49%	0.487	S	S	*	.	S	Bend	trans	115.3	-153.3	175.8	0	0	0	0	0	113.6	P849	G847-P849 WeakPolarHBondContact O-CD 3.44Å
848	K	54.4	Low	59.9	Low	211 Å²	211	85.4 Å²	85.4	92%	0.917	50%	0.5	S	S	*	.	S	Bend	trans	-96.2	82.3	164.7	-73.8	-173.6	178.4	-176	0	108.3
849	P	57.2	Low	60.1	Low	44 Å²	44	83.5 Å²	83.5	29%	0.286	50%	0.498	S	S	.	.			trans	-66.8	140.9	-179.1	29.3	-37.1	0	0	0	110.7	V842 Q845 G847	V842-P849 HydrophobicContact CB-CB 4.02Å; V842-P849 HydrophobicContact CB-CG 3.67Å; V842-P849 HydrophobicContact CG1-CB 3.87Å; V842-P849 HydrophobicContact CG1-CG 3.97Å; Q845-P849 HydrophobicContact CB-CB 3.78Å; Q845-P849 HydrophobicContact CB-CG 4.11Å; Q845-P849 HydrophobicContact CG-CB 4.49Å; G847-P849 WeakPolarHBondContact O-CD 3.44Å
850	K	60.1	Low	60.1	Low	117 Å²	117	81.8 Å²	81.8	51%	0.509	48%	0.483	S	S	.	.			trans	-75.7	130.8	174.6	-69.9	-175	176.3	-178.5	0	109.5	I852	K850-I852 VanDerWaalsContact C-N 3.25Å; K850-I852 PolarHBondContact O-N 3.14Å
851	A	62	Low	59.9	Low	33 Å²	33	81.5 Å²	81.5	27%	0.273	48%	0.482	S	S	.	.	S	Bend	trans	-80	-3.3	-178.5	0	0	0	0	0	114.1	V840 V842 R869	V840-A851 PolarHBondContact N-O 2.86Å; V842-A851 HydrophobicContact CG1-CB 4.38Å; A851-R869 PolarHBondContact O-NH1 3.34Å
852	I	66.6	Low	60	Low	16 Å²	16	76.5 Å²	76.5	8%	0.082	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	143.7	-172.1	67.5	172.8	0	0	0	113.8	R835 Q838 K850 R869 E871	R835-I852 HydrophobicContact CB-CD1 3.72Å; Q838-I852 WeakPolarHBondContact O-CA 3.44Å; K850-I852 VanDerWaalsContact C-N 3.25Å; K850-I852 PolarHBondContact O-N 3.14Å; I852-R869 HydrophobicContact CG2-CB 3.55Å; I852-E871 HydrophobicContact CD1-CB 3.82Å
853	T	61.2	Low	60.1	Low	81 Å²	81	77.6 Å²	77.6	50%	0.497	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	77.3	165.5	50.5	0	0	0	0	110.2	Q838 V840	Q838-T853 WeakPolarHBondContact CA-OG1 3.48Å; Q838-T853 VanDerWaalsContact CB-OG1 3.26Å; Q838-T853 WeakPolarHBondContact CB-OG1 3.44Å; Q838-T853 PolarHBondContact N-OG1 3.17Å; Q838-T853 PolarHBondContact O-N 3.02Å; Q838-T853 PolarHBondContact O-OG1 3.45Å; V840-T853 HydrophobicContact CG2-CG2 3.21Å
854	G	57.3	Low	60.7	Low	26 Å²	26	74.7 Å²	74.7	27%	0.268	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.7	144.8	178.5	0	0	0	0	0	115.3
855	F	59.4	Low	61	Low	168 Å²	168	72.7 Å²	72.7	74%	0.737	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.9	2.4	174.4	-72.5	-82.5	0	0	0	112.9	T857	F855-T857 PolarHBondContact O-N 3.26Å
856	Q	62.8	Low	61	Low	133 Å²	133	70.9 Å²	70.9	62%	0.621	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.6	115	-176.2	-166.2	165.3	-4.6	0	0	109.9	R835 V836	R835-Q856 WeakPolarHBondContact CA-O 3.49Å; V836-Q856 PolarHBondContact N-O 3.14Å; V836-Q856 VanDerWaalsContact N-O 3.1Å
857	T	71.3	Confident	61.5	Low	80 Å²	80	67.8 Å²	67.8	49%	0.491	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	124	177.5	49.1	0	0	0	0	110.1	V834 R835 F855 A873	V834-T857 CarbonylContact O-C 3.58Å; V834-T857 WeakPolarHBondContact O-CA 3.28Å; R835-T857 HydrophobicContact CG-CG2 3.66Å; F855-T857 PolarHBondContact O-N 3.26Å; T857-A873 HydrophobicContact CG2-CB 4.19Å
858	H	69.6	Low	61.8	Low	72 Å²	72	68.2 Å²	68.2	33%	0.333	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	154.7	168.9	-68.7	-84.5	0	0	0	109.2	S833 V834 V862	S833-H858 CarbonylContact C-O 3.6Å; S833-H858 WeakPolarHBondContact CA-O 3.47Å; V834-H858 PolarHBondContact N-O 3.06Å; V834-H858 PolarHBondContact O-N 3.47Å; V834-H858 VanDerWaalsContact O-O 3.06Å; H858-V862 HydrophobicContact CB-CB 4.43Å; H858-V862 HydrophobicContact CB-CG1 3.77Å; H858-V862 HydrophobicContact CB-CG2 3.68Å
859	T	70.3	Confident	62	Low	94 Å²	94	61 Å²	61	58%	0.577	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	131.4	169.9	45	0	0	0	0	108.8	V862	T859-V862 WeakPolarHBondContact O-CG2 3.47Å
860	T	62.4	Low	62.2	Low	5 Å²	5	59.5 Å²	59.5	3%	0.031	33%	0.329	C	S	.	.	S	Bend	trans	-62.5	142.8	175	50.2	0	0	0	0	111	L820 T822 L830 P831 V832 V834 V862	L820-T860 HydrophobicContact CD2-CG2 4.12Å; L820-T860 HydrophobicContact CG-CG2 4.22Å; T822-T860 HydrophobicContact CG2-CG2 3.99Å; T822-T860 WeakPolarHBondContact OG1-CB 3.43Å; T822-T860 PolarHBondContact OG1-OG1 3.08Å; L830-T860 PolarHBondContact O-OG1 3.22Å; P831-T860 WeakPolarHBondContact CA-O 3.33Å; V832-T860 PolarHBondContact N-OG1 2.81Å; V832-T860 PolarHBondContact O-N 3.48Å; V832-T860 PolarHBondContact O-OG1 2.94Å; V834-T860 HydrophobicContact CB-CG2 4.38Å; V834-T860 HydrophobicContact CG2-CG2 3.55Å; T860-V862 HydrophobicContact CG2-CG2 4.06Å
861	P	57.8	Low	62.3	Low	36 Å²	36	57.5 Å²	57.5	23%	0.234	32%	0.322	C	S	.	.	S	Bend	cis	-77.6	137.6	7.2	30.4	-34	0	0	0	114.5	L323 E326 L820 V821	L323-P861 HydrophobicContact CD1-CB 3.81Å; L323-P861 HydrophobicContact CG-CB 4.19Å; L323-P861 HydrophobicContact CG-CG 4.43Å; E326-P861 HydrophobicContact CB-CG 4.16Å; E326-P861 HydrophobicContact CG-CG 4.34Å; L820-P861 VanDerWaalsContact O-CA 3.31Å; L820-P861 WeakPolarHBondContact O-CA 3.28Å; V821-P861 HydrophobicContact CG2-CB 4.25Å
862	V	64.6	Low	62.4	Low	13 Å²	13	57.2 Å²	57.2	8%	0.079	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	146.5	-179.8	-157.5	0	0	0	0	110.8	L820 V836 H858 T859 T860	L820-V862 PolarHBondContact N-O 3.47Å; L820-V862 PolarHBondContact O-N 3.28Å; L820-V862 VanDerWaalsContact O-N 3.14Å; V836-V862 HydrophobicContact CG2-CG1 4.49Å; H858-V862 HydrophobicContact CB-CB 4.43Å; H858-V862 HydrophobicContact CB-CG1 3.77Å; H858-V862 HydrophobicContact CB-CG2 3.68Å; T859-V862 WeakPolarHBondContact O-CG2 3.47Å; T860-V862 HydrophobicContact CG2-CG2 4.06Å
863	L	62.4	Low	62.1	Low	56 Å²	56	57.8 Å²	57.8	29%	0.293	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	124.8	166.4	-65.3	172.8	0	0	0	109.7	L323 L327 T765 R818	L323-L863 HydrophobicContact CD2-CD2 4.45Å; L327-L863 HydrophobicContact CD1-CD1 3.94Å; L327-L863 HydrophobicContact CD1-CG 4.06Å; T765-L863 HydrophobicContact CG2-CD1 4.14Å; T765-L863 HydrophobicContact CG2-CD2 4.15Å; R818-L863 HydrophobicContact CB-CD2 4.32Å; R818-L863 WeakPolarHBondContact O-CA 3.36Å; R818-L863 WeakPolarHBondContact O-CD2 3.29Å
864	L	62.6	Low	62	Low	19 Å²	19	56.1 Å²	56.1	10%	0.099	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-94.5	124.4	176.5	-66.3	171.5	0	0	0	110.6	R818 L820 V836 A870	R818-L864 VanDerWaalsContact CZ-O 3.31Å; R818-L864 PolarHBondContact NE-O 3.07Å; R818-L864 PolarHBondContact NH2-O 3.05Å; R818-L864 PolarHBondContact O-N 3.49Å; L820-L864 HydrophobicContact CB-CD1 3.99Å; L820-L864 HydrophobicContact CB-CG 4.24Å; L820-L864 HydrophobicContact CD2-CD1 4.43Å; V836-L864 HydrophobicContact CG1-CD2 3.91Å; V836-L864 HydrophobicContact CG2-CD2 3.95Å; L864-A870 HydrophobicContact CD1-CB 4.37Å; L864-A870 HydrophobicContact CD2-CB 3.87Å
865	A	59.6	Low	62.1	Low	41 Å²	41	62.2 Å²	62.2	34%	0.339	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-77.9	171.3	173.6	0	0	0	0	0	112	G867 E868	A865-G867 PolarHBondContact O-N 2.92Å; A865-E868 WeakPolarHBondContact CA-OE2 3.47Å; A865-E868 HydrophobicContact CB-CG 3.99Å; A865-E868 WeakPolarHBondContact CB-OE2 3.46Å; A865-E868 PolarHBondContact N-OE2 3.03Å; A865-E868 PolarHBondContact O-N 3.12Å
866	H	55.3	Low	61.9	Low	66 Å²	66	58.1 Å²	58.1	31%	0.306	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	119.6	-170.7	179.3	-68	0	0	0	109.3	N691 R818 E868	N691-H866 PolarHBondContact ND2-CE1 3.06Å; N691-H866 VanDerWaalsContact ND2-CE1 3.28Å; N691-H866 PolarHBondContact ND2-ND1 3.35Å; R818-H866 VanDerWaalsContact NH2-CA 3.27Å; H866-E868 VanDerWaalsContact C-N 3.34Å
867	G	57.1	Low	61.8	Low	45 Å²	45	53.7 Å²	53.7	46%	0.464	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.7	4.9	-175.6	0	0	0	0	0	114.2	Q838 A839 A865	Q838-G867 WeakPolarHBondContact CA-O 3.36Å; A839-G867 PolarHBondContact N-O 3.22Å; A865-G867 PolarHBondContact O-N 2.92Å
868	E	63.1	Low	61.2	Low	77 Å²	77	54 Å²	54	36%	0.36	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	133.1	169.1	-67.1	179.1	170.2	0	0	110.1	V836 G837 A865 H866	V836-E868 HydrophobicContact CG1-CB 3.75Å; V836-E868 HydrophobicContact CG1-CG 4.24Å; G837-E868 CarbonylContact O-C 3.54Å; G837-E868 VanDerWaalsContact O-CA 3.32Å; G837-E868 WeakPolarHBondContact O-CA 3.32Å; A865-E868 WeakPolarHBondContact CA-OE2 3.47Å; A865-E868 HydrophobicContact CB-CG 3.99Å; A865-E868 WeakPolarHBondContact CB-OE2 3.46Å; A865-E868 PolarHBondContact N-OE2 3.03Å; A865-E868 PolarHBondContact O-N 3.12Å; H866-E868 VanDerWaalsContact C-N 3.34Å
869	R	59.1	Low	60.8	Low	58 Å²	58	52.5 Å²	52.5	22%	0.219	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	142.4	171.7	-79.2	-177	-173.3	164	-2.4	109.1	D774 V836 G837 A839 V840 A851 I852	D774-R869 IonicContact OD1-CZ 2.62Å; D774-R869 IonicContact OD1-NE 3.91Å; D774-R869 PolarHBondContact OD1-NE 2.66Å; D774-R869 IonicContact OD1-NH2 2.86Å; D774-R869 PolarHBondContact OD1-NH2 2.7Å; D774-R869 IonicContact OD2-CZ 3.5Å; D774-R869 IonicContact OD2-NH2 2.92Å; D774-R869 PolarHBondContact OD2-NH2 2.64Å; V836-R869 WeakPolarHBondContact CA-O 3.46Å; G837-R869 PolarHBondContact N-O 3.29Å; G837-R869 PolarHBondContact O-N 3.04Å; A839-R869 HydrophobicContact CB-CG 3.88Å; A839-R869 VanDerWaalsContact CB-NE 3.33Å; V840-R869 PolarHBondContact O-NH1 3.38Å; A851-R869 PolarHBondContact O-NH1 3.34Å; I852-R869 HydrophobicContact CG2-CB 3.55Å
870	A	61.6	Low	60.3	Low	13 Å²	13	49.4 Å²	49.4	11%	0.107	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	140.1	169.8	0	0	0	0	0	110	L820 V834 R835 L864 L884	L820-A870 HydrophobicContact CD2-CB 3.59Å; V834-A870 HydrophobicContact CG1-CB 3.32Å; R835-A870 CarbonylContact O-C 3.36Å; R835-A870 WeakPolarHBondContact O-CA 3.02Å; L864-A870 HydrophobicContact CD1-CB 4.37Å; L864-A870 HydrophobicContact CD2-CB 3.87Å; A870-L884 HydrophobicContact CB-CB 3.79Å; A870-L884 HydrophobicContact CB-CD1 4.17Å; A870-L884 WeakPolarHBondContact O-CD1 3.14Å
871	E	63	Low	60	Low	76 Å²	76	49.8 Å²	49.8	36%	0.355	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	139.6	168	-168.9	-179	-179.3	0	0	108.7	V834 R835 I852 A873	V834-E871 CarbonylContact C-O 3.52Å; V834-E871 WeakPolarHBondContact CA-O 3.26Å; V834-E871 WeakPolarHBondContact CG1-O 3.49Å; R835-E871 PolarHBondContact N-O 2.94Å; R835-E871 PolarHBondContact O-N 3.49Å; I852-E871 HydrophobicContact CD1-CB 3.82Å; E871-A873 PolarHBondContact O-N 3.46Å
872	L	63.9	Low	59.8	Low	26 Å²	26	51.8 Å²	51.8	14%	0.136	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	135.2	176.6	-73.3	157	0	0	0	110.4	V832 V834 P879 L884 L890	V832-L872 HydrophobicContact CB-CD2 4.42Å; V832-L872 HydrophobicContact CG1-CD2 3.62Å; V834-L872 HydrophobicContact CG2-CD2 4.22Å; L872-P879 HydrophobicContact CD1-CB 3.92Å; L872-P879 VanDerWaalsContact CD1-CD 3.44Å; L872-P879 HydrophobicContact CD1-CG 3.62Å; L872-L884 HydrophobicContact CG-CD1 3.89Å; L872-L890 HydrophobicContact CD1-CD2 3.73Å; L872-L890 HydrophobicContact CD2-CD1 4.14Å; L872-L890 HydrophobicContact CD2-CD2 4.06Å; L872-L890 HydrophobicContact CG-CD2 4.48Å
873	A	59.1	Low	59.5	Low	29 Å²	29	53.2 Å²	53.2	24%	0.24	29%	0.293	C	S	.	.	S	Bend	trans	-81	-19.1	179.5	0	0	0	0	0	112.8	S833 R835 T857 E871	S833-A873 WeakPolarHBondContact O-CB 3.44Å; S833-A873 PolarHBondContact O-N 3.17Å; R835-A873 HydrophobicContact CG-CB 4.12Å; T857-A873 HydrophobicContact CG2-CB 4.19Å; E871-A873 PolarHBondContact O-N 3.46Å
874	T	59.6	Low	59.2	Low	45 Å²	45	51.1 Å²	51.1	28%	0.276	28%	0.282	S	S	.	.			trans	-126.9	134.5	-173.2	50.4	0	0	0	0	111.7	E876	T874-E876 PolarHBondContact O-N 3.42Å
875	E	59.1	Low	58.9	Low	154 Å²	154	52.3 Å²	52.3	72%	0.72	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	3	178.1	-63.5	-175.3	172.4	0	0	113.7	Y877 N893	E875-Y877 PolarHBondContact O-N 3.19Å; E875-N893 WeakPolarHBondContact O-CB 3.43Å; E875-N893 PolarHBondContact O-ND2 3.39Å
876	E	56.6	Low	58.9	Low	82 Å²	82	50.6 Å²	50.6	38%	0.383	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-30	176	-68.1	176.6	-171.1	0	0	112.1	T874 N893 Y896	T874-E876 PolarHBondContact O-N 3.42Å; E876-N893 WeakPolarHBondContact O-CB 3.36Å; E876-N893 PolarHBondContact O-N 2.76Å; E876-Y896 HydrophobicContact CG-CD1 4.2Å; E876-Y896 HydrophobicContact CG-CD2 4.49Å; E876-Y896 HydrophobicContact CG-CE1 3.77Å; E876-Y896 HydrophobicContact CG-CE2 4.08Å
877	Y	60.8	Low	59.1	Low	41 Å²	41	48 Å²	48	16%	0.161	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	137.3	-178.6	-63.2	-85.7	0	0	0	110.7	L830 V832 E875 L890 R891 K892	L830-Y877 HydrophobicContact CD2-CD1 4.12Å; L830-Y877 HydrophobicContact CD2-CE1 3.58Å; L830-Y877 HydrophobicContact CD2-CE2 4.07Å; V832-Y877 HydrophobicContact CG2-CD2 4.31Å; E875-Y877 PolarHBondContact O-N 3.19Å; Y877-L890 HydrophobicContact CD1-CB 4.14Å; Y877-L890 HydrophobicContact CG-CB 4.37Å; Y877-L890 HydrophobicContact CG-CD1 4.37Å; Y877-R891 CarbonylContact C-O 3.52Å; Y877-R891 VanDerWaalsContact CA-O 3.26Å; Y877-R891 WeakPolarHBondContact CA-O 3.47Å; Y877-K892 HydrophobicContact CD1-CG 3.94Å; Y877-K892 HydrophobicContact CE1-CD 4.36Å; Y877-K892 HydrophobicContact CE1-CG 3.48Å; Y877-K892 VanDerWaalsContact CE1-CG 3.48Å
878	L	58.4	Low	59	Low	85 Å²	85	45.9 Å²	45.9	45%	0.445	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	125.7	172	-71.1	170.9	0	0	0	108.9	R891 N893	L878-R891 PolarHBondContact N-O 3.47Å; L878-R891 PolarHBondContact O-N 3.03Å; L878-N893 HydrophobicContact CD1-CB 4.26Å; L878-N893 HydrophobicContact CG-CB 4.17Å
879	P	60.9	Low	59.1	Low	42 Å²	42	42.3 Å²	42.3	27%	0.273	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	140.5	174.5	33.3	-29.8	0	0	0	109.3	L872 T881 L884 V888 L890	L872-P879 HydrophobicContact CD1-CB 3.92Å; L872-P879 VanDerWaalsContact CD1-CD 3.44Å; L872-P879 HydrophobicContact CD1-CG 3.62Å; P879-T881 VanDerWaalsContact C-N 3.33Å; P879-T881 WeakPolarHBondContact CB-O 3.5Å; P879-L884 HydrophobicContact CB-CD2 3.72Å; P879-L884 HydrophobicContact CG-CD2 4.25Å; P879-V888 HydrophobicContact CB-CG1 3.9Å; P879-L890 HydrophobicContact CB-CD2 3.87Å
880	V	58.6	Low	59.2	Low	28 Å²	28	39.6 Å²	39.6	17%	0.17	21%	0.212	C	C	.	.	S	Bend	trans	-74.4	-31	179.6	-175.9	0	0	0	0	110.4	V279 I280 E283 I889 R891	V279-V880 HydrophobicContact CG1-CG2 4.09Å; I280-V880 HydrophobicContact CB-CG1 4.47Å; I280-V880 HydrophobicContact CG1-CG1 3.63Å; E283-V880 WeakPolarHBondContact OE2-CB 3.29Å; E283-V880 WeakPolarHBondContact OE2-CG1 3.33Å; V880-I889 WeakPolarHBondContact CG2-O 3.33Å; V880-I889 PolarHBondContact N-O 3.02Å; V880-R891 HydrophobicContact CG2-CG 3.85Å
881	T	57.3	Low	59.3	Low	14 Å²	14	42.2 Å²	42.2	9%	0.086	22%	0.219	C	C	.	.	S	Bend	trans	-94.6	142.1	167.2	-178.1	0	0	0	0	113.3	E283 P879 I883 V888	E283-T881 VanDerWaalsContact OE1-CB 3.29Å; E283-T881 WeakPolarHBondContact OE1-CB 3.4Å; E283-T881 WeakPolarHBondContact OE1-CG2 3.4Å; E283-T881 PolarHBondContact OE1-N 3.49Å; E283-T881 VanDerWaalsContact OE1-N 3.1Å; E283-T881 PolarHBondContact OE2-N 2.91Å; E283-T881 VanDerWaalsContact OE2-N 3.07Å; P879-T881 VanDerWaalsContact C-N 3.33Å; P879-T881 WeakPolarHBondContact CB-O 3.5Å; T881-I883 WeakPolarHBondContact CG2-O 3.24Å; T881-I883 PolarHBondContact O-N 3.25Å; T881-I883 PolarHBondContact OG1-N 3.01Å; T881-I883 PolarHBondContact OG1-O 3.03Å; T881-V888 HydrophobicContact CG2-CB 4.48Å; T881-V888 HydrophobicContact CG2-CG1 3.98Å; T881-V888 HydrophobicContact CG2-CG2 3.99Å
882	P	53.7	Low	59.2	Low	78 Å²	78	44.3 Å²	44.3	51%	0.506	23%	0.227	S	C	.	.	S	Bend	trans	-70.6	-16.1	171.5	30.6	-37.4	0	0	0	113.7	E254	E254-P882 HydrophobicContact CG-CG 4Å
883	I	57.1	Low	58.9	Low	43 Å²	43	44.5 Å²	44.5	22%	0.221	23%	0.229	C	C	.	.	S	Bend	trans	-114	113.7	-177.9	-64.3	174.3	0	0	0	109.8	R257 D774 T881 E885	R257-I883 VanDerWaalsContact NH1-CD1 3.32Å; D774-I883 HydrophobicContact CB-CD1 4.25Å; T881-I883 WeakPolarHBondContact CG2-O 3.24Å; T881-I883 PolarHBondContact O-N 3.25Å; T881-I883 PolarHBondContact OG1-N 3.01Å; T881-I883 PolarHBondContact OG1-O 3.03Å; I883-E885 HydrophobicContact CG2-CB 4.24Å; I883-E885 HydrophobicContact CG2-CG 3.76Å; I883-E885 PolarHBondContact O-N 3.26Å
884	L	56.3	Low	58.6	Low	11 Å²	11	48.7 Å²	48.7	6%	0.058	25%	0.253	C	S	.	.			trans	-80.7	81.9	177.8	-59.7	178.6	0	0	0	111.2	L820 A870 L872 P879 V888	L820-L884 HydrophobicContact CD1-CB 4.09Å; L820-L884 HydrophobicContact CD2-CB 4.35Å; A870-L884 HydrophobicContact CB-CB 3.79Å; A870-L884 HydrophobicContact CB-CD1 4.17Å; A870-L884 WeakPolarHBondContact O-CD1 3.14Å; L872-L884 HydrophobicContact CG-CD1 3.89Å; P879-L884 HydrophobicContact CB-CD2 3.72Å; P879-L884 HydrophobicContact CG-CD2 4.25Å; L884-V888 HydrophobicContact CB-CG2 4.39Å; L884-V888 HydrophobicContact CD2-CB 4.19Å; L884-V888 HydrophobicContact CD2-CG1 3.64Å; L884-V888 HydrophobicContact CD2-CG2 3.81Å
885	E	56.9	Low	58.2	Low	45 Å²	45	53.5 Å²	53.5	21%	0.21	28%	0.277	C	S	.	.			trans	-132.3	136.4	173.1	-73.8	-176.3	-159.5	0	0	111.1	R290 S773 D774 I883 F887	R290-E885 VanDerWaalsContact NH1-C 3.26Å; R290-E885 PolarHBondContact NH1-O 3.24Å; S773-E885 VanDerWaalsContact CA-OE2 3.27Å; S773-E885 WeakPolarHBondContact CA-OE2 3.23Å; S773-E885 PolarHBondContact N-OE2 3.15Å; D774-E885 PolarHBondContact N-OE1 2.86Å; I883-E885 HydrophobicContact CG2-CB 4.24Å; I883-E885 HydrophobicContact CG2-CG 3.76Å; I883-E885 PolarHBondContact O-N 3.26Å; E885-F887 PolarHBondContact O-N 3.13Å
886	G	59.9	Low	57.4	Low	4 Å²	4	51.6 Å²	51.6	4%	0.041	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	73.9	-113.3	175.3	0	0	0	0	0	113	R290 M819 L820 V821	R290-G886 VanDerWaalsContact NH1-CA 3.32Å; M819-G886 CarbonylContact O-C 3.35Å; M819-G886 WeakPolarHBondContact O-CA 3.42Å; M819-G886 PolarHBondContact O-N 3.3Å; M819-G886 VanDerWaalsContact O-N 3.17Å; L820-G886 CarbonylContact C-O 3.51Å; L820-G886 WeakPolarHBondContact CA-O 3.39Å; V821-G886 PolarHBondContact N-O 3.07Å
887	F	58.4	Low	56.6	Low	12 Å²	12	55.4 Å²	55.4	5%	0.053	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	124.1	178	-64.3	-64.3	0	0	0	109.1	F286 L316 N319 M819 V821 F823 E885	F286-F887 HydrophobicContact CB-CB 4.33Å; F286-F887 HydrophobicContact CD1-CB 4.09Å; F286-F887 AromaticContact CD1-CD2 3.69Å; F286-F887 HydrophobicContact CD1-CD2 3.69Å; F286-F887 HydrophobicContact CD1-CE2 4.31Å; F286-F887 HydrophobicContact CD1-CG 4.05Å; F286-F887 HydrophobicContact CD2-CB 4.45Å; F286-F887 HydrophobicContact CE1-CD2 4.12Å; F286-F887 HydrophobicContact CE1-CE2 4.47Å; F286-F887 HydrophobicContact CE1-CG 4.28Å; F286-F887 HydrophobicContact CG-CB 4.06Å; F286-F887 HydrophobicContact CG-CD2 4.4Å; L316-F887 HydrophobicContact CG-CE2 4.46Å; L316-F887 HydrophobicContact CG-CZ 4.45Å; N319-F887 HydrophobicContact CB-CE1 4.27Å; N319-F887 HydrophobicContact CB-CZ 4.5Å; M819-F887 HydrophobicContact CE-CE1 3.74Å; M819-F887 HydrophobicContact CE-CE2 3.85Å; M819-F887 HydrophobicContact CE-CZ 3.21Å; V821-F887 HydrophobicContact CB-CD1 3.93Å; V821-F887 HydrophobicContact CB-CE1 4.11Å; V821-F887 HydrophobicContact CG2-CE1 4.34Å; V821-F887 WeakPolarHBondContact O-CA 3.34Å; F823-F887 HydrophobicContact CD2-CB 4.33Å; F823-F887 HydrophobicContact CD2-CD1 4.1Å; F823-F887 HydrophobicContact CE2-CB 3.96Å; F823-F887 AromaticContact CE2-CD1 3.08Å; F823-F887 HydrophobicContact CE2-CD1 3.08Å; F823-F887 AromaticContact CE2-CE1 3.64Å; F823-F887 HydrophobicContact CE2-CE1 3.64Å; F823-F887 AromaticContact CE2-CG 3.77Å; F823-F887 HydrophobicContact CE2-CG 3.77Å; F823-F887 AromaticContact CZ-CD1 3.54Å; F823-F887 HydrophobicContact CZ-CD1 3.54Å; F823-F887 AromaticContact CZ-CE1 3.6Å; F823-F887 HydrophobicContact CZ-CE1 3.6Å; E885-F887 PolarHBondContact O-N 3.13Å
888	V	56.7	Low	55.5	Low	0 Å²	0	60.8 Å²	60.8	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	128.4	178	176.7	0	0	0	0	108.3	L820 V821 T822 F823 P879 T881 L884 L890	L820-V888 HydrophobicContact CD1-CG2 3.86Å; V821-V888 PolarHBondContact O-N 3.11Å; V821-V888 VanDerWaalsContact O-N 3.08Å; T822-V888 CarbonylContact C-O 3.46Å; T822-V888 WeakPolarHBondContact CA-O 3Å; T822-V888 HydrophobicContact CG2-CB 4.43Å; F823-V888 PolarHBondContact N-O 2.89Å; P879-V888 HydrophobicContact CB-CG1 3.9Å; T881-V888 HydrophobicContact CG2-CB 4.48Å; T881-V888 HydrophobicContact CG2-CG1 3.98Å; T881-V888 HydrophobicContact CG2-CG2 3.99Å; L884-V888 HydrophobicContact CB-CG2 4.39Å; L884-V888 HydrophobicContact CD2-CB 4.19Å; L884-V888 HydrophobicContact CD2-CG1 3.64Å; L884-V888 HydrophobicContact CD2-CG2 3.81Å; V888-L890 HydrophobicContact CG1-CD2 4.01Å
889	I	63.9	Low	55.4	Low	3 Å²	3	59.6 Å²	59.6	2%	0.015	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	129.9	170.5	-53.4	174.3	0	0	0	108.3	V279 K282 E283 F286 V880	V279-I889 HydrophobicContact CG1-CB 4.22Å; V279-I889 HydrophobicContact CG1-CD1 4.31Å; V279-I889 HydrophobicContact CG1-CG2 3.59Å; K282-I889 HydrophobicContact CB-CD1 3.75Å; E283-I889 HydrophobicContact CB-CD1 4.19Å; F286-I889 HydrophobicContact CE2-CD1 4.43Å; V880-I889 WeakPolarHBondContact CG2-O 3.33Å; V880-I889 PolarHBondContact N-O 3.02Å
890	L	61.5	Low	55.1	Low	0 Å²	0	60.5 Å²	60.5	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	126.9	178.4	-67	-176.9	0	0	0	109.1	T822 F823 V832 L872 Y877 P879 V888	T822-L890 HydrophobicContact CG2-CD1 3.78Å; T822-L890 HydrophobicContact CG2-CG 4.13Å; F823-L890 PolarHBondContact O-N 3.44Å; V832-L890 HydrophobicContact CB-CD1 4.02Å; V832-L890 HydrophobicContact CG1-CD1 4.27Å; V832-L890 HydrophobicContact CG2-CD1 3.53Å; L872-L890 HydrophobicContact CD1-CD2 3.73Å; L872-L890 HydrophobicContact CD2-CD1 4.14Å; L872-L890 HydrophobicContact CD2-CD2 4.06Å; L872-L890 HydrophobicContact CG-CD2 4.48Å; Y877-L890 HydrophobicContact CD1-CB 4.14Å; Y877-L890 HydrophobicContact CG-CB 4.37Å; Y877-L890 HydrophobicContact CG-CD1 4.37Å; P879-L890 HydrophobicContact CB-CD2 3.87Å; V888-L890 HydrophobicContact CG1-CD2 4.01Å
891	R	64.8	Low	54.9	Low	69 Å²	69	62.3 Å²	62.3	26%	0.26	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	146.2	166.5	-69.6	-170	-166.1	-174.1	2.2	110.4	D277 E825 Y877 L878 V880 N893	D277-R891 IonicContact OD1-CZ 2.61Å; D277-R891 IonicContact OD1-NH2 3.87Å; D277-R891 PolarHBondContact OD1-NH2 3.28Å; D277-R891 IonicContact OD2-CZ 3.24Å; D277-R891 IonicContact OD2-NH1 2.91Å; D277-R891 PolarHBondContact OD2-NH1 3.36Å; D277-R891 IonicContact OD2-NH2 2.67Å; D277-R891 PolarHBondContact OD2-NH2 3.37Å; E825-R891 HydrophobicContact CG-CG 4.25Å; E825-R891 WeakPolarHBondContact OE1-CG 3.5Å; Y877-R891 CarbonylContact C-O 3.52Å; Y877-R891 VanDerWaalsContact CA-O 3.26Å; Y877-R891 WeakPolarHBondContact CA-O 3.47Å; L878-R891 PolarHBondContact N-O 3.47Å; L878-R891 PolarHBondContact O-N 3.03Å; V880-R891 HydrophobicContact CG2-CG 3.85Å; R891-N893 PolarHBondContact O-N 2.86Å
892	K	60.3	Low	54.7	Low	120 Å²	120	65.2 Å²	65.2	52%	0.522	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	131.6	169.2	-76.2	176.2	-176.1	162.9	0	109.3	Y877 P894	Y877-K892 HydrophobicContact CD1-CG 3.94Å; Y877-K892 HydrophobicContact CE1-CD 4.36Å; Y877-K892 HydrophobicContact CE1-CG 3.48Å; Y877-K892 VanDerWaalsContact CE1-CG 3.48Å; K892-P894 VanDerWaalsContact O-CD 3.25Å; K892-P894 WeakPolarHBondContact O-CD 3.44Å
893	N	58.1	Low	54.8	Low	30 Å²	30	64.4 Å²	64.4	16%	0.16	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-69.3	116.9	180	-174.8	-4.4	0	0	0	109.9	E875 E876 L878 R891 N895 Y896	E875-N893 WeakPolarHBondContact O-CB 3.43Å; E875-N893 PolarHBondContact O-ND2 3.39Å; E876-N893 WeakPolarHBondContact O-CB 3.36Å; E876-N893 PolarHBondContact O-N 2.76Å; L878-N893 HydrophobicContact CD1-CB 4.26Å; L878-N893 HydrophobicContact CG-CB 4.17Å; R891-N893 PolarHBondContact O-N 2.86Å; N893-N895 PolarHBondContact O-N 3.3Å; N893-N895 PolarHBondContact OD1-N 3Å; N893-N895 VanDerWaalsContact OD1-N 3.1Å; N893-Y896 PolarHBondContact O-N 3.26Å
894	P	52.7	Low	54.6	Low	117 Å²	117	65.8 Å²	65.8	76%	0.76	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-10.8	-179.4	28	-33.9	0	0	0	113.6	K892	K892-P894 VanDerWaalsContact O-CD 3.25Å; K892-P894 WeakPolarHBondContact O-CD 3.44Å
895	N	50.3	Low	54.5	Low	146 Å²	146	69.7 Å²	69.7	78%	0.781	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	6.9	178.7	-68.2	-26.6	0	0	0	113.6	N893 D897	N893-N895 PolarHBondContact O-N 3.3Å; N893-N895 PolarHBondContact OD1-N 3Å; N893-N895 VanDerWaalsContact OD1-N 3.1Å; N895-D897 PolarHBondContact O-N 3.47Å
896	Y	41.5	Very low	54.3	Low	113 Å²	113	71.6 Å²	71.6	44%	0.443	40%	0.399	S	S	.	.			trans	-88.2	95.3	176.9	-162.7	-94	0	0	0	109.8	E876 N893	E876-Y896 HydrophobicContact CG-CD1 4.2Å; E876-Y896 HydrophobicContact CG-CD2 4.49Å; E876-Y896 HydrophobicContact CG-CE1 3.77Å; E876-Y896 HydrophobicContact CG-CE2 4.08Å; N893-Y896 PolarHBondContact O-N 3.26Å
897	D	39.8	Very low	53.9	Low	162 Å²	162	77.3 Å²	77.3	87%	0.866	43%	0.428	S	S	*	.			trans	-73.4	122.5	163.1	-90.1	-35.5	0	0	0	108.4	N895	N895-D897 PolarHBondContact O-N 3.47Å
898	A	38.7	Very low	53.5	Low	155 Å²	155	83.2 Å²	83.2	100%	1.281	46%	0.463	S	S	*	.			trans	-64.8	0	-176.3	0	0	0	0	0	114.8

Retrieved 898 of 898 residues in 2619.2 ms (Link to these results)

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