A0A5K4F1I6_SCHMA Loading...

GCFC domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F1I6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 949 aa.

						>A0A5K4F1I6_SCHMA|A0A5K4F1I6
MCSLFMKKVRRNYRSKAGDSDEEQSQESESLYDEAVKEITSQSKPDVPSIKKNKSVLSFEDDLDPDDGDTFKVKKSSMSRKITKQTKESRKKKTHENDGLKIVGDFHKNLVSYDESSPDPEENLENLRKELLNLAEDETTPEVVPSVKSEPSNVNSMIKQGVIPDAATIHLARKQREKAKSLIESSDHSPTYYSSNKNDGRRLVREDDDDDELNDDEDASDMTTVSFSNSASEIRPIFVVSKDRETCSKRAVIGARLNRREEELKCIREDFMAAEHGSDRDSDQEIEWERQQLQKAIINQNPAVLEAIQPILGTEDSNNTTTLADSTILGGLSVTDITLPKLKDNLQEKYDKLNQSLTMHKTSLEEAKRDLERGKIVIADAREKLPNLAKQFMFYQEMKDYIDDLISCFNEKMSKIEYLEKRSIIIFRERYDKLVERRRMDMKDMADTVSQPTISSTCASRTPEEVKLFEARRKRCAERESRRIRRQRARELQNPNVIQVHVDGTSTDDEEPQATIVKRSADIDALLVDANALFEDVIEEFCELPLILERFIEWRNKYPESYQQAYISLCLPQLFSPIIRIQLIGWNPLNNHANPIEEMKWFQDLLDFCNLPLVDSNKNTKSTPLNSNKTDKSKNNNNENKNGSNHNTNNFDKTSGNLDDDLRIIPKSIEKIVLQRINELVSASWDPLSEKQSLQLVNLMRNLCSTYPTICIGSRPTEKLFTSIVKRIENTIQEDIFIPLYSKTLIQHRQGPAFIFFERQFNMGLKLLKNILLWINLLSMDTLKHISLTCLINRYLLIGLACLLSVVTLKSNEEKSNTPMNSPFPIGLSIDQSGSLAFRDAVQKLKSIVDLLPREWLKSSITSVKQDDDHNNNKDDDDDDDDNDESSKQTSLTVVSDPLSQIKRFLTQLLENIPPTRMYSDINVGQADIQIIERECMGTLLQLRDLLKN
					

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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	32.8	Very low	33.5	Very low	237 Å²	237	178.4 Å²	178.4	100%	1.167	86%	0.861	S	S	*	*				0	63.2	0	-58.2	-179.8	-158.8	0	0	110.1
2	C	29.4	Very low	33.5	Very low	137 Å²	137	175.8 Å²	175.8	93%	0.926	85%	0.854	S	S	*	*			trans	-124.2	25.6	-158.6	-56	0	0	0	0	115.7
3	S	33	Very low	33.4	Very low	104 Å²	104	179.7 Å²	179.7	73%	0.727	86%	0.857	S	S	*	*			trans	-101.8	-5.1	-169.3	56.3	0	0	0	0	117
4	L	35.6	Very low	33.6	Very low	159 Å²	159	183.4 Å²	183.4	83%	0.832	86%	0.858	S	S	*	*	S	Bend	trans	-97.7	1	-161	-85.3	167.2	0	0	0	118.6
5	F	35.3	Very low	33.5	Very low	207 Å²	207	178.7 Å²	178.7	91%	0.908	85%	0.854	S	S	*	*			trans	-117.9	13.6	-175.1	-83.4	-80.1	0	0	0	117	K7	F5-K7 VanDerWaalsContact C-N 3.28Å; F5-K7 PolarHBondContact O-N 3.28Å
6	M	33.6	Very low	33.6	Very low	183 Å²	183	180.8 Å²	180.8	90%	0.901	86%	0.858	S	S	*	*			trans	-78.4	55.1	178.6	-79.4	-74.4	-171.7	0	0	114.7
7	K	35.1	Very low	33.9	Very low	190 Å²	190	175.6 Å²	175.6	83%	0.826	85%	0.853	S	S	*	*			trans	-94.9	111.4	168.3	-83.7	-177.2	177.9	174.2	0	111.5	F5 V9	F5-K7 VanDerWaalsContact C-N 3.28Å; F5-K7 PolarHBondContact O-N 3.28Å; K7-V9 PolarHBondContact O-N 3.14Å
8	K	32.8	Very low	34.1	Very low	213 Å²	213	170.3 Å²	170.3	93%	0.926	85%	0.852	S	S	*	*			trans	-65.7	91.4	172.6	-76.9	176.4	175.6	169.7	0	111.3	R10	K8-R10 PolarHBondContact O-N 3.35Å
9	V	31.4	Very low	34.3	Very low	107 Å²	107	170.2 Å²	170.2	65%	0.648	85%	0.854	S	S	*	*			trans	-82.7	99.6	172.6	-173.9	0	0	0	0	110.3	K7 R11	K7-V9 PolarHBondContact O-N 3.14Å; V9-R11 HydrophobicContact CG1-CG 3.89Å; V9-R11 PolarHBondContact O-N 3.22Å
10	R	32.2	Very low	34.4	Very low	237 Å²	237	165.7 Å²	165.7	89%	0.894	84%	0.839	S	S	*	*			trans	-71.3	103.5	159.8	-90.3	-179.2	161.6	173	-6.3	108.5	K8 N12	K8-R10 PolarHBondContact O-N 3.35Å; R10-N12 PolarHBondContact O-N 3.43Å
11	R	37.4	Very low	34.7	Very low	188 Å²	188	165.2 Å²	165.2	71%	0.709	84%	0.839	S	S	*	*			trans	-80	95	170.7	-73.3	-171.2	171.6	118.4	-3.6	110.2	V9	V9-R11 HydrophobicContact CG1-CG 3.89Å; V9-R11 PolarHBondContact O-N 3.22Å
12	N	33.2	Very low	34.8	Very low	147 Å²	147	162.6 Å²	162.6	79%	0.786	82%	0.824	S	S	*	*			trans	-81.4	117.6	158.4	-78.4	2.1	0	0	0	108.2	R10 R14	R10-N12 PolarHBondContact O-N 3.43Å; N12-R14 PolarHBondContact O-N 3.27Å
13	Y	32.9	Very low	35.2	Very low	227 Å²	227	164.9 Å²	164.9	89%	0.89	82%	0.821	S	S	*	*			trans	-68.7	98.5	165.3	-87	-87.5	0	0	0	108.9
14	R	35.5	Very low	35	Very low	231 Å²	231	169.4 Å²	169.4	87%	0.872	83%	0.831	S	S	*	*			trans	-111.5	117.1	162.9	-175	175.3	-177.9	177.3	0.3	107.1	N12 K16	N12-R14 PolarHBondContact O-N 3.27Å; R14-K16 PolarHBondContact O-N 3.26Å
15	S	32.7	Very low	34.9	Very low	113 Å²	113	167.2 Å²	167.2	79%	0.79	83%	0.828	S	S	*	*			trans	-59	124	170.7	44.3	0	0	0	0	109.3
16	K	35.5	Very low	34.8	Very low	212 Å²	212	166.6 Å²	166.6	92%	0.922	83%	0.828	S	S	*	*			trans	-86.4	108.1	160.3	-87.7	-169.7	168.1	-167.4	0	107.2	R14	R14-K16 PolarHBondContact O-N 3.26Å
17	A	38.7	Very low	34.8	Very low	94 Å²	94	167 Å²	167	78%	0.777	83%	0.828	S	S	*	*			trans	-88.5	142.6	157.6	0	0	0	0	0	108.2
18	G	35.9	Very low	34.9	Very low	80 Å²	80	163.6 Å²	163.6	83%	0.825	83%	0.828	S	S	*	*			trans	36.4	111.4	163.8	0	0	0	0	0	119.5
19	D	37.9	Very low	34.9	Very low	168 Å²	168	161.3 Å²	161.3	90%	0.898	82%	0.821	S	S	*	*				-150.8	162	104.6	-144.2	-14.7	0	0	0	111
20	S	37.3	Very low	35.2	Very low	79 Å²	79	159.6 Å²	159.6	55%	0.552	81%	0.814	S	S	*	*			trans	-59.1	139.7	-173.2	-177.2	0	0	0	0	115
21	D	39.6	Very low	35.6	Very low	157 Å²	157	155.9 Å²	155.9	84%	0.84	81%	0.811	S	S	*	*				-165.4	144.7	104	-90.6	-8.8	0	0	0	112.1
22	E	34.9	Very low	36.1	Very low	181 Å²	181	153.1 Å²	153.1	85%	0.846	80%	0.801	S	S	*	*			trans	-92.4	115.5	-162.2	-59.1	-177.8	148.7	0	0	113.2
23	E	37.8	Very low	36.6	Very low	186 Å²	186	150.3 Å²	150.3	87%	0.869	79%	0.786	S	S	*	*			trans	-134.6	118.5	146.4	-80	-162	155.2	0	0	109.9	S25	E23-S25 PolarHBondContact O-N 3.05Å
24	Q	29.4	Very low	37.2	Very low	199 Å²	199	144.9 Å²	144.9	93%	0.93	77%	0.769	S	S	*	*			trans	-71.1	112.4	-179.5	-67.5	174	-3.3	0	0	110.4
25	S	34.2	Very low	37.6	Very low	112 Å²	112	136.2 Å²	136.2	78%	0.783	75%	0.747	S	S	*	*			trans	-120.8	117.8	161.8	35	0	0	0	0	108.6	E23 E27	E23-S25 PolarHBondContact O-N 3.05Å; S25-E27 PolarHBondContact O-N 3.31Å
26	Q	32.9	Very low	38.4	Very low	194 Å²	194	135.1 Å²	135.1	91%	0.907	74%	0.735	S	S	*	*			trans	-62.8	127.6	-175.2	-67.6	166.7	-67.5	0	0	110.2	S28	Q26-S28 PolarHBondContact O-N 3.3Å
27	E	33.6	Very low	39	Very low	191 Å²	191	132.1 Å²	132.1	89%	0.893	72%	0.722	S	S	*	*			trans	-61.8	118.3	163.3	-72.6	-171.5	138.4	0	0	108	S25 E29	S25-E27 PolarHBondContact O-N 3.31Å; E27-E29 VanDerWaalsContact C-N 3.32Å; E27-E29 PolarHBondContact O-N 3.27Å
28	S	36.5	Very low	39.4	Very low	120 Å²	120	135.4 Å²	135.4	84%	0.839	72%	0.722	S	S	*	*			trans	-74.2	86.3	178.6	39.5	0	0	0	0	110.3	Q26 S30	Q26-S28 PolarHBondContact O-N 3.3Å; S28-S30 PolarHBondContact O-N 3.13Å
29	E	33.5	Very low	39.8	Very low	164 Å²	164	138.5 Å²	138.5	77%	0.766	72%	0.718	S	S	*	*			trans	-51.4	132	158.7	-76.5	-171.6	127	0	0	109	E27 L31	E27-E29 VanDerWaalsContact C-N 3.32Å; E27-E29 PolarHBondContact O-N 3.27Å; E29-L31 PolarHBondContact O-N 3.32Å; E29-L31 VanDerWaalsContact O-N 3.12Å
30	S	37.4	Very low	39.8	Very low	71 Å²	71	136.1 Å²	136.1	50%	0.497	71%	0.709	S	S	.	*			trans	-62.4	118.6	-177.7	179.1	0	0	0	0	109.6	S28 Y32 D33	S28-S30 PolarHBondContact O-N 3.13Å; S30-Y32 PolarHBondContact O-N 3.3Å; S30-D33 PolarHBondContact O-N 3.37Å
31	L	40.8	Very low	39.9	Very low	159 Å²	159	136.5 Å²	136.5	83%	0.832	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	1.4	-175.8	-141	122.8	0	0	0	114.6	E29	E29-L31 PolarHBondContact O-N 3.32Å; E29-L31 VanDerWaalsContact O-N 3.12Å
32	Y	46.9	Very low	39.8	Very low	131 Å²	131	138.3 Å²	138.3	51%	0.514	72%	0.715	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.8	-17.5	177.3	-76.2	-94.2	0	0	0	114.8	S30 V36 R422	S30-Y32 PolarHBondContact O-N 3.3Å; Y32-V36 WeakPolarHBondContact O-CG2 3.22Å; Y32-R422 PolarHBondContact OH-NH1 3.33Å
33	D	45.6	Very low	39.9	Very low	88 Å²	88	135.1 Å²	135.1	47%	0.471	71%	0.713	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.4	-10.8	-176.7	-76.8	-16.2	0	0	0	113.7	S30 K518	S30-D33 PolarHBondContact O-N 3.37Å; D33-K518 IonicContact OD1-NZ 3.79Å; D33-K518 PolarHBondContact OD1-NZ 3.3Å; D33-K518 VanDerWaalsContact OD1-NZ 3.08Å
34	E	44.9	Very low	40	Very low	112 Å²	112	136.2 Å²	136.2	52%	0.523	72%	0.715	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.1	-49	168.7	-139.8	60.3	-157.6	0	0	110.9	V36 K37	E34-V36 VanDerWaalsContact C-N 3.27Å; E34-V36 PolarHBondContact O-N 3.26Å; E34-K37 PolarHBondContact O-N 3.46Å
35	A	43.4	Very low	40.3	Very low	50 Å²	50	131.7 Å²	131.7	41%	0.413	70%	0.703	S	S	.	*	H	α-helix	trans	-60.2	-30.4	-176.5	0	0	0	0	0	114.2	K37 I39	A35-K37 VanDerWaalsContact C-N 3.33Å; A35-I39 WeakPolarHBondContact O-CD1 3.41Å; A35-I39 WeakPolarHBondContact O-CG1 3.46Å
36	V	48.8	Very low	40.6	Very low	90 Å²	90	133.1 Å²	133.1	55%	0.545	70%	0.702	S	S	.	*	H	α-helix	trans	-77.7	-18.3	-179.9	178.8	0	0	0	0	112.4	Y32 E34	Y32-V36 WeakPolarHBondContact O-CG2 3.22Å; E34-V36 VanDerWaalsContact C-N 3.27Å; E34-V36 PolarHBondContact O-N 3.26Å
37	K	49.7	Very low	41.1	Very low	149 Å²	149	130.3 Å²	130.3	65%	0.648	70%	0.697	S	S	*	*	H	α-helix	trans	-85.4	-32.4	177.6	-72.7	175.3	-169	145.2	0	113.4	E34 A35	E34-K37 PolarHBondContact O-N 3.46Å; A35-K37 VanDerWaalsContact C-N 3.33Å
38	E	46.2	Very low	41.2	Very low	163 Å²	163	126.8 Å²	126.8	76%	0.762	69%	0.691	S	S	*	*	H	α-helix	trans	-75.8	-29.4	177.7	-71.5	-164.3	127	0	0	113.3	T40	E38-T40 PolarHBondContact O-N 3.02Å
39	I	45.2	Very low	41.5	Very low	145 Å²	145	126.1 Å²	126.1	74%	0.744	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-10.8	-175.6	-65.9	171.2	0	0	0	113.2	A35	A35-I39 WeakPolarHBondContact O-CD1 3.41Å; A35-I39 WeakPolarHBondContact O-CG1 3.46Å
40	T	38	Very low	41.9	Very low	118 Å²	118	125.2 Å²	125.2	72%	0.724	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.2	45.2	-176	-38.8	0	0	0	0	113.7	E38	E38-T40 PolarHBondContact O-N 3.02Å
41	S	39.7	Very low	42	Very low	86 Å²	86	130.8 Å²	130.8	60%	0.601	70%	0.7	S	S	*	*	S	Bend	trans	-151.5	148.7	162.5	69.2	0	0	0	0	113.3
42	Q	37.3	Very low	41.9	Very low	195 Å²	195	132.7 Å²	132.7	91%	0.911	70%	0.702	S	S	*	*			trans	72.5	86.5	175	-49	-169.9	25.9	0	0	117.5
43	S	35.8	Very low	41.8	Very low	115 Å²	115	134.8 Å²	134.8	80%	0.804	72%	0.722	S	S	*	*			trans	-136.3	114.8	149	54.3	0	0	0	0	111.1
44	K	39.5	Very low	41.8	Very low	209 Å²	209	140.5 Å²	140.5	91%	0.909	74%	0.743	S	S	*	*			trans	-169.7	146.8	147.8	-107.3	167.5	-174.5	-178.4	0	110.3
45	P	37	Very low	41.7	Very low	103 Å²	103	140.5 Å²	140.5	67%	0.669	76%	0.755	S	S	*	*			trans	-104.8	162.8	-159.9	39.9	-34.4	0	0	0	114
46	D	39	Very low	41.9	Very low	143 Å²	143	144.1 Å²	144.1	77%	0.765	77%	0.772	S	S	*	*				176.6	129.3	110.9	-93.1	-20.9	0	0	0	115.1
47	V	44	Very low	41.4	Very low	134 Å²	134	147.4 Å²	147.4	81%	0.812	79%	0.785	S	S	*	*			trans	68.6	139.5	146.2	-176.1	0	0	0	0	120.4
48	P	36.3	Very low	41.1	Very low	117 Å²	117	145.3 Å²	145.3	76%	0.76	79%	0.79	S	S	*	*			trans	-121	161.2	-159.7	41.7	-28.4	0	0	0	116.8
49	S	43	Very low	40.7	Very low	106 Å²	106	147.2 Å²	147.2	74%	0.741	80%	0.796	S	S	*	*			trans	-170.1	127.7	147.2	55.5	0	0	0	0	116.1
50	I	41.1	Very low	40.5	Very low	145 Å²	145	148.1 Å²	148.1	74%	0.744	80%	0.797	S	S	*	*			trans	77.3	107.8	133.9	-63.6	172.7	0	0	0	121
51	K	40.4	Very low	40.7	Very low	188 Å²	188	149.4 Å²	149.4	82%	0.817	80%	0.799	S	S	*	*			trans	69.7	100.4	139	-64.9	176.2	-171.5	177.1	0	122.8
52	K	38.6	Very low	40.8	Very low	200 Å²	200	152.2 Å²	152.2	87%	0.87	81%	0.807	S	S	*	*				26.6	128.4	126.6	-63.3	-174	177.2	-175.1	0	120.3
53	N	43.5	Very low	41	Very low	174 Å²	174	150.3 Å²	150.3	93%	0.93	80%	0.803	S	S	*	*			trans	-137.9	150.3	138.7	-92.4	-31.3	0	0	0	110
54	K	46.3	Very low	41.3	Very low	208 Å²	208	151.6 Å²	151.6	90%	0.904	80%	0.801	S	S	*	*			trans	-94.9	155.1	-167.7	-62.4	178.6	174	-173	0	113.7
55	S	43.1	Very low	41.2	Very low	113 Å²	113	147.5 Å²	147.5	79%	0.79	80%	0.795	S	S	*	*			trans	154.6	131.8	146.5	-178.9	0	0	0	0	109.2
56	V	46.7	Very low	41.4	Very low	125 Å²	125	150.5 Å²	150.5	76%	0.758	81%	0.806	S	S	*	*	S	Bend	cis	-155.6	163.5	-2.7	125.9	0	0	0	0	107.7
57	L	38.8	Very low	41.5	Very low	159 Å²	159	152 Å²	152	83%	0.832	81%	0.814	S	S	*	*			trans	83.1	76.8	-178.9	-69.1	155.8	0	0	0	117
58	S	43.5	Very low	41.1	Very low	105 Å²	105	148 Å²	148	73%	0.734	80%	0.8	S	S	*	*			trans	-145.6	138.2	151.5	159.8	0	0	0	0	106.8
59	F	37.2	Very low	41.3	Very low	204 Å²	204	149.7 Å²	149.7	90%	0.895	80%	0.803	S	S	*	*			trans	-109.5	113	164.8	-81.3	-83.9	0	0	0	107
60	E	42.2	Very low	41.4	Very low	164 Å²	164	149.5 Å²	149.5	77%	0.766	80%	0.798	S	S	*	*			trans	-161.7	155.7	173.4	-162	78.8	-112.6	0	0	106
61	D	41	Very low	41.1	Very low	144 Å²	144	151.6 Å²	151.6	77%	0.77	80%	0.802	S	S	*	*			trans	60.8	125.5	-171.5	-65.2	-21	0	0	0	114.2
62	D	42	Very low	41.5	Very low	145 Å²	145	150 Å²	150	78%	0.775	80%	0.795	S	S	*	*			cis	-150.4	150.4	25.6	-87.8	-54.9	0	0	0	109.3
63	L	41.1	Very low	42	Very low	156 Å²	156	145.5 Å²	145.5	82%	0.817	78%	0.784	S	S	*	*			trans	170.5	116.9	132.9	-92.6	169.3	0	0	0	111.6
64	D	42.1	Very low	42.3	Very low	142 Å²	142	146.7 Å²	146.7	76%	0.759	78%	0.78	S	S	*	*			trans	40.7	127	156	-62.8	-39.2	0	0	0	122.1
65	P	37.5	Very low	42.6	Very low	122 Å²	122	143.6 Å²	143.6	79%	0.792	77%	0.767	S	S	*	*	S	Bend	trans	-77.5	155.9	155.3	35.1	-31.8	0	0	0	111.1
66	D	41.8	Very low	43.7	Very low	166 Å²	166	142 Å²	142	89%	0.888	76%	0.756	S	S	*	*			trans	84.4	54.1	171	-133.5	23.7	0	0	0	117.6
67	D	41	Very low	44.5	Very low	174 Å²	174	140.9 Å²	140.9	93%	0.93	75%	0.753	S	S	*	*			trans	-156.6	148	146.2	-114.9	-27.4	0	0	0	108.5
68	G	36.3	Very low	45.4	Very low	52 Å²	52	139.3 Å²	139.3	54%	0.536	74%	0.744	S	S	.	*			cis	156.7	-17	5.4	0	0	0	0	0	113.3	T70	G68-T70 PolarHBondContact O-N 3.1Å
69	D	40.6	Very low	46.3	Very low	151 Å²	151	136.3 Å²	136.3	81%	0.807	72%	0.723	S	S	*	*			trans	-96.7	90.8	-167.1	-107.7	-27.3	0	0	0	116.4	K72	D69-K72 IonicContact OD1-NZ 3.85Å; D69-K72 PolarHBondContact OD1-NZ 2.87Å
70	T	44.1	Very low	47.6	Very low	103 Å²	103	135.1 Å²	135.1	63%	0.632	71%	0.712	S	S	*	*			trans	-63.8	134.6	166.5	-52.5	0	0	0	0	112	G68 K72	G68-T70 PolarHBondContact O-N 3.1Å; T70-K72 WeakPolarHBondContact O-CG 3.36Å; T70-K72 PolarHBondContact O-N 3.12Å
71	F	35.9	Very low	49	Very low	189 Å²	189	134 Å²	134	83%	0.829	71%	0.705	S	S	*	*			trans	-64.4	92.2	169.9	-169.7	-101.4	0	0	0	111.6	V73	F71-V73 HydrophobicContact CD1-CG2 3.79Å; F71-V73 HydrophobicContact CE1-CG2 3.71Å; F71-V73 PolarHBondContact O-N 3.08Å; F71-V73 VanDerWaalsContact O-N 3.08Å
72	K	48.5	Very low	50.2	Low	155 Å²	155	131.9 Å²	131.9	67%	0.674	69%	0.692	S	S	*	*			trans	-80.7	85.1	-174.2	-74.6	155.5	-171.2	145.9	0	111.9	D69 T70 K74	D69-K72 IonicContact OD1-NZ 3.85Å; D69-K72 PolarHBondContact OD1-NZ 2.87Å; T70-K72 WeakPolarHBondContact O-CG 3.36Å; T70-K72 PolarHBondContact O-N 3.12Å; K72-K74 PolarHBondContact O-N 3.09Å
73	V	49.6	Very low	51.5	Low	105 Å²	105	128.8 Å²	128.8	64%	0.636	68%	0.679	S	S	*	*			trans	-59.3	122.9	167	-178.2	0	0	0	0	109.9	F71 K75	F71-V73 HydrophobicContact CD1-CG2 3.79Å; F71-V73 HydrophobicContact CE1-CG2 3.71Å; F71-V73 PolarHBondContact O-N 3.08Å; F71-V73 VanDerWaalsContact O-N 3.08Å; V73-K75 PolarHBondContact O-N 2.68Å
74	K	49.2	Very low	53	Low	198 Å²	198	127.8 Å²	127.8	86%	0.861	67%	0.668	S	S	*	*			trans	-76.4	77.3	-166.2	-157.4	175.4	-170.6	175.9	0	112	K72 S76	K72-K74 PolarHBondContact O-N 3.09Å; K74-S76 PolarHBondContact O-N 3.41Å
75	K	53.4	Low	54.3	Low	143 Å²	143	127.2 Å²	127.2	62%	0.622	66%	0.66	S	S	*	*			trans	-57.3	129.3	179	-67.5	-172.3	179.2	-176.1	0	112.1	V73	V73-K75 PolarHBondContact O-N 2.68Å
76	S	66.4	Low	55.6	Low	80 Å²	80	124.9 Å²	124.9	56%	0.559	64%	0.644	S	S	*	*			trans	-51.1	152.7	178.3	170	0	0	0	0	113.1	K74 M78 S79 R80	K74-S76 PolarHBondContact O-N 3.41Å; S76-M78 PolarHBondContact O-N 2.65Å; S76-M78 VanDerWaalsContact O-N 3.16Å; S76-M78 PolarHBondContact OG-N 3.16Å; S76-S79 WeakPolarHBondContact O-CB 3.33Å; S76-S79 PolarHBondContact O-N 3.47Å; S76-R80 PolarHBondContact O-N 3.26Å
77	S	63.4	Low	56.5	Low	101 Å²	101	124.1 Å²	124.1	71%	0.706	63%	0.633	S	S	*	*	H	α-helix	trans	-49.3	-39.4	175.9	-172.8	0	0	0	0	112.5	S79 R80 K81	S77-S79 PolarHBondContact O-N 2.79Å; S77-R80 PolarHBondContact O-N 3.2Å; S77-K81 PolarHBondContact O-N 2.86Å
78	M	56.7	Low	57.5	Low	127 Å²	127	121.2 Å²	121.2	63%	0.626	61%	0.614	S	S	*	*	H	α-helix	trans	-63.6	-40.5	179.4	-156.8	64.8	168.7	0	0	112.5	S76 R80 K81 I82	S76-M78 PolarHBondContact O-N 2.65Å; S76-M78 VanDerWaalsContact O-N 3.16Å; S76-M78 PolarHBondContact OG-N 3.16Å; M78-R80 PolarHBondContact O-N 3.46Å; M78-K81 WeakPolarHBondContact O-CB 3.46Å; M78-K81 PolarHBondContact O-N 2.95Å; M78-K81 VanDerWaalsContact O-N 3.07Å; M78-I82 PolarHBondContact O-N 3.12Å
79	S	62.5	Low	58.3	Low	42 Å²	42	123 Å²	123	29%	0.294	62%	0.618	S	S	.	*	H	α-helix	trans	-63.4	-39.3	179.4	-176.6	0	0	0	0	111.8	S76 S77 K81 I82 T83	S76-S79 WeakPolarHBondContact O-CB 3.33Å; S76-S79 PolarHBondContact O-N 3.47Å; S77-S79 PolarHBondContact O-N 2.79Å; S79-K81 VanDerWaalsContact C-N 3.3Å; S79-K81 PolarHBondContact O-N 3.41Å; S79-I82 PolarHBondContact O-N 2.97Å; S79-T83 PolarHBondContact O-N 3.1Å; S79-T83 PolarHBondContact O-OG1 3.28Å
80	R	65	Low	58.8	Low	178 Å²	178	126.3 Å²	126.3	67%	0.672	62%	0.619	S	S	*	*	H	α-helix	trans	-63.9	-32.4	173.3	-81.5	-175.3	-112.6	-169.5	-4.3	113.1	S76 S77 M78 K84	S76-R80 PolarHBondContact O-N 3.26Å; S77-R80 PolarHBondContact O-N 3.2Å; M78-R80 PolarHBondContact O-N 3.46Å; R80-K84 WeakPolarHBondContact O-CB 3.4Å; R80-K84 PolarHBondContact O-N 2.95Å; R80-K84 VanDerWaalsContact O-N 3.09Å
81	K	71.4	Confident	58.9	Low	141 Å²	141	129.4 Å²	129.4	61%	0.613	62%	0.624	S	S	*	*	H	α-helix	trans	-69.2	-44	179.5	-150.3	174.8	-176.6	-176.5	0	111.3	S77 M78 S79 K84 Q85	S77-K81 PolarHBondContact O-N 2.86Å; M78-K81 WeakPolarHBondContact O-CB 3.46Å; M78-K81 PolarHBondContact O-N 2.95Å; M78-K81 VanDerWaalsContact O-N 3.07Å; S79-K81 VanDerWaalsContact C-N 3.3Å; S79-K81 PolarHBondContact O-N 3.41Å; K81-K84 PolarHBondContact O-N 3.32Å; K81-Q85 PolarHBondContact O-N 3.44Å; K81-Q85 VanDerWaalsContact O-N 3.17Å
82	I	66.4	Low	59.5	Low	99 Å²	99	129.4 Å²	129.4	51%	0.508	62%	0.624	S	S	.	*	H	α-helix	trans	-67.1	-42.9	177	-61	167.2	0	0	0	111.4	M78 S79 K84 Q85 T86	M78-I82 PolarHBondContact O-N 3.12Å; S79-I82 PolarHBondContact O-N 2.97Å; I82-K84 VanDerWaalsContact C-N 3.25Å; I82-K84 PolarHBondContact O-N 3.3Å; I82-Q85 PolarHBondContact O-N 2.99Å; I82-T86 PolarHBondContact O-N 2.86Å; I82-T86 VanDerWaalsContact O-N 3.12Å; I82-T86 PolarHBondContact O-OG1 3.48Å
83	T	68.9	Low	59	Low	80 Å²	80	131.7 Å²	131.7	49%	0.491	63%	0.633	S	S	.	*	H	α-helix	trans	-64.3	-29.1	175.2	-49.8	0	0	0	0	112.5	S79 T86 K87	S79-T83 PolarHBondContact O-N 3.1Å; S79-T83 PolarHBondContact O-OG1 3.28Å; T83-T86 WeakPolarHBondContact CA-OG1 3.5Å; T83-T86 PolarHBondContact O-OG1 2.77Å; T83-K87 VanDerWaalsContact O-CB 3.3Å; T83-K87 WeakPolarHBondContact O-CB 3.35Å; T83-K87 PolarHBondContact O-N 3.39Å
84	K	72.6	Confident	58.2	Low	136 Å²	136	132.8 Å²	132.8	59%	0.591	64%	0.641	S	S	*	*	H	α-helix	trans	-73	-45.2	176.5	-162.6	177.8	-179.6	-169.4	0	111.8	R80 K81 I82 T86 K87 E88	R80-K84 WeakPolarHBondContact O-CB 3.4Å; R80-K84 PolarHBondContact O-N 2.95Å; R80-K84 VanDerWaalsContact O-N 3.09Å; K81-K84 PolarHBondContact O-N 3.32Å; I82-K84 VanDerWaalsContact C-N 3.25Å; I82-K84 PolarHBondContact O-N 3.3Å; K84-T86 PolarHBondContact O-N 2.93Å; K84-K87 PolarHBondContact O-N 3.23Å; K84-K87 VanDerWaalsContact O-N 3.15Å; K84-E88 VanDerWaalsContact CE-OE1 3.23Å; K84-E88 WeakPolarHBondContact CE-OE1 3.3Å; K84-E88 PolarHBondContact O-N 2.63Å
85	Q	70.2	Confident	57.6	Low	129 Å²	129	131.7 Å²	131.7	60%	0.603	64%	0.638	S	S	*	*	H	α-helix	trans	-62.5	-39.3	177.2	-72.7	-179.4	-17.5	0	0	112.8	K81 I82 K87 E88 S89	K81-Q85 PolarHBondContact O-N 3.44Å; K81-Q85 VanDerWaalsContact O-N 3.17Å; I82-Q85 PolarHBondContact O-N 2.99Å; Q85-K87 VanDerWaalsContact C-N 3.33Å; Q85-K87 PolarHBondContact O-N 3.14Å; Q85-E88 PolarHBondContact O-N 3.32Å; Q85-S89 PolarHBondContact O-N 2.97Å; Q85-S89 VanDerWaalsContact O-N 3.17Å; Q85-S89 PolarHBondContact O-OG 2.83Å
86	T	63.8	Low	56.8	Low	74 Å²	74	132.5 Å²	132.5	45%	0.454	64%	0.644	S	S	.	*	H	α-helix	trans	-72	-21.9	175.3	45.9	0	0	0	0	114	I82 T83 K84 S89	I82-T86 PolarHBondContact O-N 2.86Å; I82-T86 VanDerWaalsContact O-N 3.12Å; I82-T86 PolarHBondContact O-OG1 3.48Å; T83-T86 WeakPolarHBondContact CA-OG1 3.5Å; T83-T86 PolarHBondContact O-OG1 2.77Å; K84-T86 PolarHBondContact O-N 2.93Å; T86-S89 PolarHBondContact O-OG 3.4Å
87	K	61	Low	55.3	Low	150 Å²	150	134.8 Å²	134.8	65%	0.652	65%	0.65	S	S	*	*	H	α-helix	trans	-88.7	-22.2	175	-158.2	166.9	-171.5	172.9	0	113	T83 K84 Q85	T83-K87 VanDerWaalsContact O-CB 3.3Å; T83-K87 WeakPolarHBondContact O-CB 3.35Å; T83-K87 PolarHBondContact O-N 3.39Å; K84-K87 PolarHBondContact O-N 3.23Å; K84-K87 VanDerWaalsContact O-N 3.15Å; Q85-K87 VanDerWaalsContact C-N 3.33Å; Q85-K87 PolarHBondContact O-N 3.14Å
88	E	60.9	Low	54	Low	113 Å²	113	137.6 Å²	137.6	53%	0.528	66%	0.658	S	S	.	*	H	α-helix	trans	-78.7	-36	171.8	-76.9	170.4	-176.9	0	0	112.1	K84 Q85 R90 K91	K84-E88 VanDerWaalsContact CE-OE1 3.23Å; K84-E88 WeakPolarHBondContact CE-OE1 3.3Å; K84-E88 PolarHBondContact O-N 2.63Å; Q85-E88 PolarHBondContact O-N 3.32Å; E88-R90 VanDerWaalsContact C-N 3.34Å; E88-R90 PolarHBondContact O-N 2.9Å; E88-K91 PolarHBondContact O-N 2.96Å
89	S	53.6	Low	52.8	Low	89 Å²	89	134.2 Å²	134.2	62%	0.622	66%	0.655	S	S	*	*	H	α-helix	trans	-68.6	-27.5	175.1	59.3	0	0	0	0	114.1	Q85 T86	Q85-S89 PolarHBondContact O-N 2.97Å; Q85-S89 VanDerWaalsContact O-N 3.17Å; Q85-S89 PolarHBondContact O-OG 2.83Å; T86-S89 PolarHBondContact O-OG 3.4Å
90	R	50.8	Low	51.6	Low	220 Å²	220	140.2 Å²	140.2	83%	0.83	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	-5.6	176.6	-73.6	-175.4	175	-172.9	-0.8	115.1	E88	E88-R90 VanDerWaalsContact C-N 3.34Å; E88-R90 PolarHBondContact O-N 2.9Å
91	K	46.6	Very low	49.9	Very low	168 Å²	168	141.1 Å²	141.1	73%	0.73	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	11.9	-174.8	-88.2	-170.6	170.8	-165.4	0	115.7	E88	E88-K91 PolarHBondContact O-N 2.96Å
92	K	48.4	Very low	48.1	Very low	190 Å²	190	141.8 Å²	141.8	83%	0.826	70%	0.7	S	S	*	*	S	Bend	trans	-117.1	8.7	-168.9	-105.5	-177.3	177.4	-177.6	0	117.8
93	K	38.4	Very low	46.3	Very low	202 Å²	202	144.2 Å²	144.2	88%	0.878	72%	0.719	S	S	*	*			trans	-147.2	114	167.1	-70.6	-166.7	175.8	-173.9	0	111.5
94	T	32.4	Very low	44.5	Very low	129 Å²	129	143.4 Å²	143.4	79%	0.791	73%	0.727	S	S	*	*			trans	-154.6	159.9	172.3	30.7	0	0	0	0	108.8
95	H	37.5	Very low	42.5	Very low	174 Å²	174	143.5 Å²	143.5	81%	0.806	73%	0.734	S	S	*	*			trans	80.1	130.3	-163.1	-78.3	-90.6	0	0	0	113.7
96	E	36.7	Very low	40.8	Very low	160 Å²	160	147.5 Å²	147.5	75%	0.748	75%	0.75	S	S	*	*			cis	-135.2	158.6	12.1	-64	-175.7	115.7	0	0	114.1
97	N	35	Very low	39.3	Very low	129 Å²	129	152.3 Å²	152.3	69%	0.69	77%	0.767	S	S	*	*			trans	30.4	148.7	147	-48.8	-9.2	0	0	0	120.9
98	D	35.5	Very low	37.7	Very low	160 Å²	160	153.7 Å²	153.7	86%	0.856	77%	0.772	S	S	*	*			cis	-154.8	160.1	-2.5	-115.1	-37.2	0	0	0	104.6
99	G	32.3	Very low	36.3	Very low	55 Å²	55	155.8 Å²	155.8	57%	0.567	79%	0.787	S	S	*	*			cis	129	98.7	24.2	0	0	0	0	0	109.3
100	L	35.4	Very low	35.3	Very low	169 Å²	169	159.1 Å²	159.1	89%	0.885	80%	0.798	S	S	*	*			trans	133	108	171.9	-94.3	69.6	0	0	0	109.5
101	K	31.1	Very low	34.4	Very low	197 Å²	197	155.2 Å²	155.2	86%	0.857	80%	0.798	S	S	*	*				67.7	134.3	60.8	-75.5	-167.3	174.2	-177.4	0	115.6
102	I	33.3	Very low	33.6	Very low	155 Å²	155	152.2 Å²	152.2	80%	0.795	80%	0.798	S	S	*	*			trans	105.6	97.5	-172.1	-63.4	157.8	0	0	0	108.1
103	V	28.9	Very low	32.7	Very low	149 Å²	149	154.1 Å²	154.1	90%	0.903	80%	0.801	S	S	*	*				49.2	84.3	53	-169.8	0	0	0	0	111.9
104	G	29.6	Very low	32.4	Very low	63 Å²	63	151.7 Å²	151.7	65%	0.649	80%	0.798	S	S	*	*			trans	-154.6	123.3	177.7	0	0	0	0	0	113.4
105	D	31.5	Very low	32.3	Very low	138 Å²	138	154.5 Å²	154.5	74%	0.738	80%	0.802	S	S	*	*			trans	50	79	142.4	-58.4	-7.2	0	0	0	120.7	H107	D105-H107 PolarHBondContact O-N 3.01Å
106	F	33.5	Very low	32.5	Very low	213 Å²	213	151 Å²	151	93%	0.934	80%	0.797	S	S	*	*	S	Bend	trans	-78.3	70.7	141.3	-87.4	-87.1	0	0	0	110.1
107	H	32.1	Very low	32.3	Very low	176 Å²	176	148.7 Å²	148.7	82%	0.815	80%	0.799	S	S	*	*	S	Bend	trans	166.3	90	152.4	-102.2	-74.4	0	0	0	110.3	D105	D105-H107 PolarHBondContact O-N 3.01Å
108	K	29.1	Very low	32.9	Very low	178 Å²	178	146.7 Å²	146.7	77%	0.774	79%	0.793	S	S	*	*			trans	174.2	108.3	151	-99.2	153.1	-172.5	171.9	0	108.3
109	N	31	Very low	33.8	Very low	157 Å²	157	143.8 Å²	143.8	84%	0.84	78%	0.778	S	S	*	*			trans	167.1	64.4	144.7	-83.4	-9.3	0	0	0	108.8
110	L	32.8	Very low	35.1	Very low	160 Å²	160	145.4 Å²	145.4	84%	0.838	78%	0.778	S	S	*	*	S	Bend	trans	-88	135.5	151.1	-164.5	70.9	0	0	0	106.1
111	V	31	Very low	36.5	Very low	138 Å²	138	141.9 Å²	141.9	84%	0.836	76%	0.757	S	S	*	*			trans	70	84.4	177.7	-160.8	0	0	0	0	117.1
112	S	31	Very low	38.5	Very low	104 Å²	104	138.4 Å²	138.4	73%	0.727	74%	0.744	S	S	*	*			trans	-155.7	122.6	135.3	60.5	0	0	0	0	110.5
113	Y	28.6	Very low	40.2	Very low	230 Å²	230	135.8 Å²	135.8	90%	0.902	73%	0.731	S	S	*	*			trans	-57.9	135.9	167.7	-97.3	-108.7	0	0	0	110.5
114	D	32.2	Very low	42.1	Very low	152 Å²	152	130.3 Å²	130.3	81%	0.813	70%	0.697	S	S	*	*			trans	-146.6	134.5	146.6	-152.1	-4.6	0	0	0	110.6	S116	D114-S116 PolarHBondContact O-N 3.17Å
115	E	31	Very low	44.2	Very low	187 Å²	187	131 Å²	131	87%	0.874	68%	0.683	S	S	*	*			trans	-85.1	95.6	-175.9	-73.2	-175.9	125.6	0	0	110.4
116	S	39.9	Very low	46.4	Very low	101 Å²	101	128 Å²	128	71%	0.706	67%	0.667	S	S	*	*			trans	-123.1	99.7	164.9	55.2	0	0	0	0	110.6	D114 P118	D114-S116 PolarHBondContact O-N 3.17Å; S116-P118 WeakPolarHBondContact O-CD 3.41Å
117	S	33.3	Very low	48.2	Very low	112 Å²	112	118.2 Å²	118.2	78%	0.783	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-57.1	116.6	-178.4	-175	0	0	0	0	111.5
118	P	48.5	Very low	50.1	Low	87 Å²	87	114.8 Å²	114.8	57%	0.565	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-66	145.9	159.4	-10.7	28.2	0	0	0	108.3	S116 P120	S116-P118 WeakPolarHBondContact O-CD 3.41Å; P118-P120 WeakPolarHBondContact O-CD 3.39Å
119	D	54.3	Low	52.3	Low	99 Å²	99	111 Å²	111	53%	0.529	59%	0.588	S	S	.	*	P	Polyproline II helix	trans	-66.5	122.2	177	-169.6	-21.4	0	0	0	109.2	E121 E122	D119-E121 PolarHBondContact O-N 3.36Å; D119-E121 VanDerWaalsContact O-N 3.1Å; D119-E121 PolarHBondContact OD1-N 3.42Å; D119-E121 VanDerWaalsContact OD1-N 3.14Å; D119-E122 PolarHBondContact O-N 2.92Å
120	P	58.7	Low	54.4	Low	88 Å²	88	107 Å²	107	57%	0.571	56%	0.564	S	S	*	*	H	α-helix	trans	-57.6	-24.3	179.9	22.6	-34.5	0	0	0	113.6	P118 L124	P118-P120 WeakPolarHBondContact O-CD 3.39Å; P120-L124 WeakPolarHBondContact O-CB 3.23Å; P120-L124 WeakPolarHBondContact O-CG 3.49Å; P120-L124 PolarHBondContact O-N 2.97Å; P120-L124 VanDerWaalsContact O-N 3.12Å
121	E	65.9	Low	56.3	Low	96 Å²	96	102.9 Å²	102.9	45%	0.449	54%	0.542	S	S	.	.	H	α-helix	trans	-72.7	-30.3	176.4	-162.3	67.3	-148.5	0	0	112.3	D119 L124 E125 R128	D119-E121 PolarHBondContact O-N 3.36Å; D119-E121 VanDerWaalsContact O-N 3.1Å; D119-E121 PolarHBondContact OD1-N 3.42Å; D119-E121 VanDerWaalsContact OD1-N 3.14Å; E121-L124 PolarHBondContact O-N 2.86Å; E121-E125 VanDerWaalsContact O-CB 3.3Å; E121-E125 WeakPolarHBondContact O-CB 3.2Å; E121-E125 PolarHBondContact O-N 3.44Å; E121-R128 IonicContact OE1-CZ 3.75Å; E121-R128 IonicContact OE1-NH1 2.92Å; E121-R128 PolarHBondContact OE1-NH1 2.88Å; E121-R128 VanDerWaalsContact OE1-NH1 3.08Å; E121-R128 IonicContact OE1-NH2 3.79Å; E121-R128 PolarHBondContact OE1-NH2 3.49Å; E121-R128 VanDerWaalsContact OE1-NH2 3.09Å
122	E	72.4	Confident	58.2	Low	124 Å²	124	101 Å²	101	58%	0.579	53%	0.527	S	S	*	.	H	α-helix	trans	-70.7	-41.4	177.8	-174.3	170.6	-165.9	0	0	111.4	D119 E125 N126	D119-E122 PolarHBondContact O-N 2.92Å; E122-E125 PolarHBondContact O-N 3.48Å; E122-N126 WeakPolarHBondContact O-CB 3.44Å; E122-N126 VanDerWaalsContact O-CG 3.31Å; E122-N126 PolarHBondContact O-N 3.26Å; E122-N126 PolarHBondContact O-ND2 3.16Å
123	N	67.9	Low	60	Low	100 Å²	100	100.4 Å²	100.4	54%	0.535	52%	0.516	S	S	.	.	H	α-helix	trans	-65	-39.4	172.7	-78.3	-20.2	0	0	0	111.8	L127	N123-L127 WeakPolarHBondContact O-CB 3.4Å; N123-L127 PolarHBondContact O-N 2.85Å
124	L	69.7	Low	61.5	Low	34 Å²	34	93.7 Å²	93.7	18%	0.178	50%	0.495	C	S	.	.	H	α-helix	trans	-63.8	-39.2	173.1	-82.7	166.8	0	0	0	112.6	P120 E121 L127 R128 A389	P120-L124 WeakPolarHBondContact O-CB 3.23Å; P120-L124 WeakPolarHBondContact O-CG 3.49Å; P120-L124 PolarHBondContact O-N 2.97Å; P120-L124 VanDerWaalsContact O-N 3.12Å; E121-L124 PolarHBondContact O-N 2.86Å; L124-L127 PolarHBondContact O-N 3.36Å; L124-R128 WeakPolarHBondContact O-CG 3.24Å; L124-R128 PolarHBondContact O-N 2.91Å; L124-A389 HydrophobicContact CD2-CB 3.8Å
125	E	73.7	Confident	62.7	Low	78 Å²	78	90 Å²	90	36%	0.364	49%	0.485	S	S	.	.	H	α-helix	trans	-74.1	-32.2	-179.8	-172.8	60.4	-159.4	0	0	112.4	E121 E122 R128 K129	E121-E125 VanDerWaalsContact O-CB 3.3Å; E121-E125 WeakPolarHBondContact O-CB 3.2Å; E121-E125 PolarHBondContact O-N 3.44Å; E122-E125 PolarHBondContact O-N 3.48Å; E125-R128 WeakPolarHBondContact OE2-CD 3.41Å; E125-R128 IonicContact OE2-CZ 2.68Å; E125-R128 IonicContact OE2-NE 2.65Å; E125-R128 IonicContact OE2-NH1 3.92Å; E125-R128 PolarHBondContact OE2-NH1 3.48Å; E125-K129 WeakPolarHBondContact O-CG 3.47Å; E125-K129 PolarHBondContact O-N 2.97Å
126	N	76.8	Confident	63.8	Low	73 Å²	73	86.5 Å²	86.5	39%	0.39	47%	0.469	S	S	.	.	H	α-helix	trans	-68.8	-43.4	170.7	-69.9	-24.4	0	0	0	111.2	E122 R128 K129 E130	E122-N126 WeakPolarHBondContact O-CB 3.44Å; E122-N126 VanDerWaalsContact O-CG 3.31Å; E122-N126 PolarHBondContact O-N 3.26Å; E122-N126 PolarHBondContact O-ND2 3.16Å; N126-R128 VanDerWaalsContact C-N 3.34Å; N126-R128 PolarHBondContact O-N 3.4Å; N126-K129 WeakPolarHBondContact O-CB 3.36Å; N126-K129 PolarHBondContact O-N 3.33Å; N126-K129 VanDerWaalsContact O-N 3.14Å; N126-K129 PolarHBondContact OD1-NZ 3.05Å; N126-E130 PolarHBondContact O-N 2.9Å
127	L	71.4	Confident	64	Low	9 Å²	9	87.6 Å²	87.6	5%	0.047	47%	0.467	C	S	.	.	H	α-helix	trans	-63.1	-37.3	173.2	179.8	64.5	0	0	0	112.6	N123 L124 K129 E130 L131 A389 F392 M393	N123-L127 WeakPolarHBondContact O-CB 3.4Å; N123-L127 PolarHBondContact O-N 2.85Å; L124-L127 PolarHBondContact O-N 3.36Å; L127-K129 VanDerWaalsContact C-N 3.29Å; L127-K129 PolarHBondContact O-N 3.47Å; L127-E130 PolarHBondContact O-N 3.5Å; L127-L131 HydrophobicContact CD1-CD1 4.2Å; L127-L131 HydrophobicContact CD1-CG 4.03Å; L127-L131 HydrophobicContact CD2-CD1 4.49Å; L127-L131 HydrophobicContact CG-CD1 3.99Å; L127-L131 HydrophobicContact CG-CG 4.27Å; L127-L131 WeakPolarHBondContact O-CB 3.29Å; L127-L131 WeakPolarHBondContact O-CG 3.4Å; L127-L131 PolarHBondContact O-N 3.49Å; L127-A389 HydrophobicContact CD2-CB 3.37Å; L127-F392 HydrophobicContact CD1-CD1 3.41Å; L127-F392 VanDerWaalsContact CD1-CD1 3.41Å; L127-F392 HydrophobicContact CD1-CE1 3.65Å; L127-F392 HydrophobicContact CD1-CG 4.37Å; L127-M393 HydrophobicContact CD1-SD 4.12Å
128	R	73.4	Confident	64.6	Low	103 Å²	103	91.1 Å²	91.1	39%	0.389	47%	0.471	S	S	.	.	H	α-helix	trans	-58.4	-40.8	172.8	-80.3	176.4	-168.3	138.1	8.8	111.8	E121 L124 E125 N126 L132	E121-R128 IonicContact OE1-CZ 3.75Å; E121-R128 IonicContact OE1-NH1 2.92Å; E121-R128 PolarHBondContact OE1-NH1 2.88Å; E121-R128 VanDerWaalsContact OE1-NH1 3.08Å; E121-R128 IonicContact OE1-NH2 3.79Å; E121-R128 PolarHBondContact OE1-NH2 3.49Å; E121-R128 VanDerWaalsContact OE1-NH2 3.09Å; L124-R128 WeakPolarHBondContact O-CG 3.24Å; L124-R128 PolarHBondContact O-N 2.91Å; E125-R128 WeakPolarHBondContact OE2-CD 3.41Å; E125-R128 IonicContact OE2-CZ 2.68Å; E125-R128 IonicContact OE2-NE 2.65Å; E125-R128 IonicContact OE2-NH1 3.92Å; E125-R128 PolarHBondContact OE2-NH1 3.48Å; N126-R128 VanDerWaalsContact C-N 3.34Å; N126-R128 PolarHBondContact O-N 3.4Å; R128-L132 VanDerWaalsContact O-CB 3.29Å; R128-L132 WeakPolarHBondContact O-CB 3.35Å; R128-L132 PolarHBondContact O-N 3.02Å
129	K	75.7	Confident	64.1	Low	99 Å²	99	91.6 Å²	91.6	43%	0.43	47%	0.473	S	S	.	.	H	α-helix	trans	-69.5	-40.2	176.8	-65.8	163.2	-162.8	151.4	0	111.6	E125 N126 L127 L132 N133	E125-K129 WeakPolarHBondContact O-CG 3.47Å; E125-K129 PolarHBondContact O-N 2.97Å; N126-K129 WeakPolarHBondContact O-CB 3.36Å; N126-K129 PolarHBondContact O-N 3.33Å; N126-K129 VanDerWaalsContact O-N 3.14Å; N126-K129 PolarHBondContact OD1-NZ 3.05Å; L127-K129 VanDerWaalsContact C-N 3.29Å; L127-K129 PolarHBondContact O-N 3.47Å; K129-L132 PolarHBondContact O-N 2.81Å; K129-N133 PolarHBondContact O-N 2.76Å; K129-N133 PolarHBondContact O-ND2 3.25Å; K129-N133 PolarHBondContact O-OD1 2.93Å
130	E	74	Confident	63.3	Low	74 Å²	74	92.6 Å²	92.6	35%	0.346	48%	0.482	S	S	.	.	H	α-helix	trans	-64.5	-46.3	177.5	-172	175.1	-177.5	0	0	111.9	N126 L127 L132 N133 L134	N126-E130 PolarHBondContact O-N 2.9Å; L127-E130 PolarHBondContact O-N 3.5Å; E130-L132 VanDerWaalsContact C-N 3.29Å; E130-L132 PolarHBondContact O-N 3.35Å; E130-N133 PolarHBondContact O-N 2.93Å; E130-L134 HydrophobicContact CG-CD1 4.38Å; E130-L134 WeakPolarHBondContact O-CG 3.49Å; E130-L134 PolarHBondContact O-N 3.24Å
131	L	73	Confident	62	Low	72 Å²	72	94.6 Å²	94.6	38%	0.377	50%	0.495	S	S	.	.	H	α-helix	trans	-64.8	-31.4	173.8	-69.3	174.1	0	0	0	112.9	L127 A135 F392	L127-L131 HydrophobicContact CD1-CD1 4.2Å; L127-L131 HydrophobicContact CD1-CG 4.03Å; L127-L131 HydrophobicContact CD2-CD1 4.49Å; L127-L131 HydrophobicContact CG-CD1 3.99Å; L127-L131 HydrophobicContact CG-CG 4.27Å; L127-L131 WeakPolarHBondContact O-CB 3.29Å; L127-L131 WeakPolarHBondContact O-CG 3.4Å; L127-L131 PolarHBondContact O-N 3.49Å; L131-A135 WeakPolarHBondContact O-CB 3.36Å; L131-A135 PolarHBondContact O-N 3.44Å; L131-A135 VanDerWaalsContact O-N 3.13Å; L131-F392 HydrophobicContact CD2-CD1 4.4Å; L131-F392 HydrophobicContact CD2-CD2 3.95Å; L131-F392 HydrophobicContact CD2-CE1 4.13Å; L131-F392 HydrophobicContact CD2-CE2 3.66Å; L131-F392 HydrophobicContact CD2-CG 4.31Å; L131-F392 HydrophobicContact CD2-CZ 3.76Å
132	L	71.7	Confident	60.6	Low	98 Å²	98	98.7 Å²	98.7	51%	0.513	52%	0.515	S	S	.	.	H	α-helix	trans	-69	-46	173	-170.4	71	0	0	0	111	R128 K129 E130 L134 A135 E136	R128-L132 VanDerWaalsContact O-CB 3.29Å; R128-L132 WeakPolarHBondContact O-CB 3.35Å; R128-L132 PolarHBondContact O-N 3.02Å; K129-L132 PolarHBondContact O-N 2.81Å; E130-L132 VanDerWaalsContact C-N 3.29Å; E130-L132 PolarHBondContact O-N 3.35Å; L132-L134 PolarHBondContact O-N 3.41Å; L132-A135 PolarHBondContact O-N 2.83Å; L132-A135 VanDerWaalsContact O-N 3.13Å; L132-E136 WeakPolarHBondContact O-CG 3.39Å; L132-E136 PolarHBondContact O-N 3.06Å
133	N	67.6	Low	58.9	Low	93 Å²	93	99.1 Å²	99.1	50%	0.497	53%	0.526	S	S	.	.	H	α-helix	trans	-60	-44.4	176.1	-64.8	-13	0	0	0	111.3	K129 E130 A135 E136 D137	K129-N133 PolarHBondContact O-N 2.76Å; K129-N133 PolarHBondContact O-ND2 3.25Å; K129-N133 PolarHBondContact O-OD1 2.93Å; E130-N133 PolarHBondContact O-N 2.93Å; N133-A135 VanDerWaalsContact C-N 3.26Å; N133-A135 PolarHBondContact O-N 3.38Å; N133-E136 PolarHBondContact O-N 2.99Å; N133-E136 VanDerWaalsContact O-N 3.08Å; N133-D137 WeakPolarHBondContact O-CB 3.33Å; N133-D137 PolarHBondContact O-N 2.91Å
134	L	60.9	Low	57.4	Low	89 Å²	89	100.5 Å²	100.5	47%	0.466	54%	0.537	S	S	.	.	H	α-helix	trans	-64.7	-28	176.7	-72.8	169.1	0	0	0	113.2	E130 L132 F392	E130-L134 HydrophobicContact CG-CD1 4.38Å; E130-L134 WeakPolarHBondContact O-CG 3.49Å; E130-L134 PolarHBondContact O-N 3.24Å; L132-L134 PolarHBondContact O-N 3.41Å; L134-F392 HydrophobicContact CD1-CZ 3.84Å
135	A	57.7	Low	55.8	Low	73 Å²	73	104.5 Å²	104.5	60%	0.603	57%	0.565	S	S	*	*	H	α-helix	trans	-79.7	-22.3	173.2	0	0	0	0	0	113.1	L131 L132 N133	L131-A135 WeakPolarHBondContact O-CB 3.36Å; L131-A135 PolarHBondContact O-N 3.44Å; L131-A135 VanDerWaalsContact O-N 3.13Å; L132-A135 PolarHBondContact O-N 2.83Å; L132-A135 VanDerWaalsContact O-N 3.13Å; N133-A135 VanDerWaalsContact C-N 3.26Å; N133-A135 PolarHBondContact O-N 3.38Å
136	E	52.2	Low	53.8	Low	115 Å²	115	105.8 Å²	105.8	54%	0.537	58%	0.583	S	S	.	*	H	α-helix	trans	-87	-33.9	175.5	-70.2	177.6	-173.5	0	0	111.7	L132 N133 E138 T139	L132-E136 WeakPolarHBondContact O-CG 3.39Å; L132-E136 PolarHBondContact O-N 3.06Å; N133-E136 PolarHBondContact O-N 2.99Å; N133-E136 VanDerWaalsContact O-N 3.08Å; E136-E138 VanDerWaalsContact C-N 3.35Å; E136-E138 PolarHBondContact O-N 3.06Å; E136-T139 PolarHBondContact O-N 2.83Å; E136-T139 PolarHBondContact O-OG1 2.93Å
137	D	45.6	Very low	51.9	Low	124 Å²	124	107.8 Å²	107.8	66%	0.663	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	-17.5	-177.9	-99.9	-22.5	0	0	0	115.3	N133 T139	N133-D137 WeakPolarHBondContact O-CB 3.33Å; N133-D137 PolarHBondContact O-N 2.91Å; D137-T139 PolarHBondContact O-N 3.19Å
138	E	46.2	Very low	50.1	Low	186 Å²	186	116 Å²	116	87%	0.869	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	-6.8	168.4	-80.5	-135	137.2	0	0	112.7	E136	E136-E138 VanDerWaalsContact C-N 3.35Å; E136-E138 PolarHBondContact O-N 3.06Å
139	T	37.4	Very low	48.3	Very low	97 Å²	97	116 Å²	116	60%	0.595	65%	0.648	S	S	*	*	S	Bend	trans	-133	101.8	176.7	48	0	0	0	0	113.6	E136 D137	E136-T139 PolarHBondContact O-N 2.83Å; E136-T139 PolarHBondContact O-OG1 2.93Å; D137-T139 PolarHBondContact O-N 3.19Å
140	T	36.5	Very low	46.3	Very low	119 Å²	119	119.6 Å²	119.6	73%	0.73	67%	0.667	S	S	*	*			trans	80.9	134.4	168.1	74.5	0	0	0	0	117.2
141	P	31.9	Very low	45.1	Very low	130 Å²	130	120.6 Å²	120.6	84%	0.844	68%	0.68	S	S	*	*			trans	-91.7	116.8	178.2	34.1	-29.9	0	0	0	111.2
142	E	35.9	Very low	43.9	Very low	183 Å²	183	121.8 Å²	121.8	86%	0.855	69%	0.694	S	S	*	*			trans	-134.6	151.4	171.9	-133.4	-168.7	160.7	0	0	116.1
143	V	37.9	Very low	43.3	Very low	133 Å²	133	122.9 Å²	122.9	81%	0.806	70%	0.701	S	S	*	*			trans	-90.8	114.9	-166.4	175.1	0	0	0	0	111
144	V	36.3	Very low	43	Very low	128 Å²	128	121 Å²	121	78%	0.776	69%	0.693	S	S	*	*			trans	-75.2	134.7	175	-171.1	0	0	0	0	111.1
145	P	35.6	Very low	43	Very low	119 Å²	119	121.7 Å²	121.7	77%	0.773	70%	0.696	S	S	*	*				-137.8	122.1	123.7	27.9	-11.4	0	0	0	114.1
146	S	31.5	Very low	43.2	Very low	104 Å²	104	120.7 Å²	120.7	73%	0.727	69%	0.685	S	S	*	*			trans	-40	146.8	166.4	176.3	0	0	0	0	115.4
147	V	36.6	Very low	43.6	Very low	116 Å²	116	117.6 Å²	117.6	70%	0.703	67%	0.671	S	S	*	*				-179.3	121.1	124.6	145.3	0	0	0	0	113.1
148	K	34.9	Very low	44.5	Very low	180 Å²	180	117.3 Å²	117.3	78%	0.783	67%	0.668	S	S	*	*			trans	72.3	106.3	152.6	-72.1	169.2	-164.4	175.8	0	122.1
149	S	34.1	Very low	45.3	Very low	103 Å²	103	117.3 Å²	117.3	72%	0.72	67%	0.666	S	S	*	*				59.8	131.9	126.1	63.6	0	0	0	0	121.9
150	E	34.4	Very low	46.7	Very low	176 Å²	176	119.4 Å²	119.4	82%	0.822	67%	0.669	S	S	*	*			trans	81	98.2	166.8	-57.3	-174.9	-177	0	0	117.9
151	P	49.3	Very low	48.2	Very low	94 Å²	94	117 Å²	117	61%	0.61	67%	0.668	S	S	*	*			trans	-139.5	23.4	133.6	40.5	-28.9	0	0	0	114.4	N153 V154	P151-N153 PolarHBondContact O-N 3.27Å; P151-V154 HydrophobicContact CB-CG2 4.17Å; P151-V154 VanDerWaalsContact O-CG2 3.24Å; P151-V154 WeakPolarHBondContact O-CG2 3.34Å
152	S	48.7	Very low	50.6	Low	98 Å²	98	114.5 Å²	114.5	69%	0.685	65%	0.65	S	S	*	*	H	α-helix	trans	-60.4	-31.9	-179.9	52.5	0	0	0	0	113.6	S156	S152-S156 PolarHBondContact O-N 3.03Å
153	N	57.4	Low	52.3	Low	121 Å²	121	113 Å²	113	65%	0.647	65%	0.646	S	S	*	*	H	α-helix	trans	-68.3	-40.6	-174.6	-128.4	-9.7	0	0	0	113.1	P151 S156 M157	P151-N153 PolarHBondContact O-N 3.27Å; N153-S156 WeakPolarHBondContact O-CB 3.05Å; N153-S156 PolarHBondContact O-N 2.87Å; N153-M157 WeakPolarHBondContact O-CG 3.21Å; N153-M157 PolarHBondContact O-N 3.45Å
154	V	61.2	Low	54.2	Low	54 Å²	54	108.2 Å²	108.2	33%	0.327	62%	0.618	S	S	.	*	H	α-helix	trans	-69.6	-38.5	-179	-74.7	0	0	0	0	112.7	P151 S156 M157 I158 T168	P151-V154 HydrophobicContact CB-CG2 4.17Å; P151-V154 VanDerWaalsContact O-CG2 3.24Å; P151-V154 WeakPolarHBondContact O-CG2 3.34Å; V154-S156 VanDerWaalsContact C-N 3.28Å; V154-S156 PolarHBondContact O-N 3.45Å; V154-M157 PolarHBondContact O-N 3.32Å; V154-I158 WeakPolarHBondContact O-CG1 3.46Å; V154-I158 PolarHBondContact O-N 3.39Å; V154-I158 VanDerWaalsContact O-N 3.1Å; V154-T168 HydrophobicContact CG1-CG2 4.09Å
155	N	61.2	Low	56.4	Low	102 Å²	102	107.5 Å²	107.5	55%	0.545	61%	0.609	S	S	.	*	H	α-helix	trans	-69.5	-26.1	174.9	-76.2	-12.5	0	0	0	112.6	K159	N155-K159 WeakPolarHBondContact O-CG 3.31Å; N155-K159 PolarHBondContact O-N 3.18Å
156	S	61.9	Low	58.7	Low	53 Å²	53	105.2 Å²	105.2	37%	0.371	60%	0.601	S	S	.	*	H	α-helix	trans	-69.6	-46.1	170.4	-172.3	0	0	0	0	111.8	S152 N153 V154 K159 Q160	S152-S156 PolarHBondContact O-N 3.03Å; N153-S156 WeakPolarHBondContact O-CB 3.05Å; N153-S156 PolarHBondContact O-N 2.87Å; V154-S156 VanDerWaalsContact C-N 3.28Å; V154-S156 PolarHBondContact O-N 3.45Å; S156-K159 PolarHBondContact O-N 3.5Å; S156-Q160 PolarHBondContact O-N 2.85Å
157	M	61.4	Low	61	Low	50 Å²	50	103.3 Å²	103.3	25%	0.246	59%	0.591	C	S	.	*	H	α-helix	trans	-64.6	-41.2	-178.4	-68.3	174.2	74.4	0	0	112.5	N153 V154 K159 Q160 G161 V162 P164	N153-M157 WeakPolarHBondContact O-CG 3.21Å; N153-M157 PolarHBondContact O-N 3.45Å; V154-M157 PolarHBondContact O-N 3.32Å; M157-K159 VanDerWaalsContact C-N 3.34Å; M157-K159 PolarHBondContact O-N 3.01Å; M157-Q160 PolarHBondContact O-N 3.17Å; M157-Q160 VanDerWaalsContact O-N 3.13Å; M157-G161 PolarHBondContact O-N 2.73Å; M157-V162 PolarHBondContact O-N 3.2Å; M157-P164 HydrophobicContact CE-CB 4.11Å; M157-P164 HydrophobicContact CE-CG 4.43Å
158	I	64.2	Low	63.1	Low	117 Å²	117	100.2 Å²	100.2	60%	0.6	57%	0.573	S	S	*	*	H	α-helix	trans	-63.6	-39.6	177.2	-65.7	166	0	0	0	111.1	V154 Q160 G161	V154-I158 WeakPolarHBondContact O-CG1 3.46Å; V154-I158 PolarHBondContact O-N 3.39Å; V154-I158 VanDerWaalsContact O-N 3.1Å; I158-Q160 PolarHBondContact O-N 2.97Å; I158-G161 PolarHBondContact O-N 3.01Å
159	K	63.7	Low	65.2	Low	187 Å²	187	96.1 Å²	96.1	81%	0.813	56%	0.559	S	S	*	*	H	α-helix	trans	-67.3	-16.9	175.7	-76	179.8	178.7	-177	0	114.2	N155 S156 M157	N155-K159 WeakPolarHBondContact O-CG 3.31Å; N155-K159 PolarHBondContact O-N 3.18Å; S156-K159 PolarHBondContact O-N 3.5Å; M157-K159 VanDerWaalsContact C-N 3.34Å; M157-K159 PolarHBondContact O-N 3.01Å
160	Q	67.2	Low	67.5	Low	141 Å²	141	97.3 Å²	97.3	66%	0.659	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	1.6	178	-70.8	-179.4	-19.6	0	0	113.4	S156 M157 I158 V162	S156-Q160 PolarHBondContact O-N 2.85Å; M157-Q160 PolarHBondContact O-N 3.17Å; M157-Q160 VanDerWaalsContact O-N 3.13Å; I158-Q160 PolarHBondContact O-N 2.97Å; Q160-V162 HydrophobicContact CB-CG2 4.16Å; Q160-V162 PolarHBondContact O-N 2.74Å
161	G	67.8	Low	69.7	Low	69 Å²	69	94.5 Å²	94.5	71%	0.711	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.9	15.2	-179	0	0	0	0	0	114.5	M157 I158	M157-G161 PolarHBondContact O-N 2.73Å; I158-G161 PolarHBondContact O-N 3.01Å
162	V	80.9	Confident	71.1	Confident	77 Å²	77	92.3 Å²	92.3	47%	0.467	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-89.9	120.7	-178.7	-179.1	0	0	0	0	109.6	M157 Q160 P164	M157-V162 PolarHBondContact O-N 3.2Å; Q160-V162 HydrophobicContact CB-CG2 4.16Å; Q160-V162 PolarHBondContact O-N 2.74Å; V162-P164 WeakPolarHBondContact O-CD 3.21Å
163	I	73.1	Confident	72.8	Confident	150 Å²	150	96.9 Å²	96.9	77%	0.769	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-64.7	121.5	175	-57.8	176	0	0	0	108.8
164	P	77.7	Confident	74.2	Confident	33 Å²	33	96.9 Å²	96.9	21%	0.214	53%	0.528	C	S	.	.	P	Polyproline II helix	trans	-66.7	145.6	178.2	-20.7	33.5	0	0	0	112.4	M157 V162 T168 I169	M157-P164 HydrophobicContact CE-CB 4.11Å; M157-P164 HydrophobicContact CE-CG 4.43Å; V162-P164 WeakPolarHBondContact O-CD 3.21Å; P164-T168 HydrophobicContact CB-CG2 3.92Å; P164-I169 WeakPolarHBondContact O-CD1 3.25Å
165	D	82.2	Confident	75.1	Confident	113 Å²	113	100.7 Å²	100.7	60%	0.604	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-55.5	152.8	176.8	179.1	39.6	0	0	0	112.8	A167 T168 I169	D165-A167 PolarHBondContact O-N 3.11Å; D165-A167 VanDerWaalsContact O-N 3.12Å; D165-T168 WeakPolarHBondContact O-CA 3.38Å; D165-T168 VanDerWaalsContact O-CB 3.29Å; D165-T168 WeakPolarHBondContact O-CB 3.41Å; D165-T168 PolarHBondContact O-N 3.4Å; D165-I169 PolarHBondContact O-N 3.44Å; D165-I169 VanDerWaalsContact O-N 3.16Å
166	A	83.2	Confident	76	Confident	71 Å²	71	105.5 Å²	105.5	59%	0.587	55%	0.553	S	S	*	*	H	α-helix	trans	-55.5	-33.6	-175.3	0	0	0	0	0	112.9	I169 H170	A166-I169 PolarHBondContact O-N 2.79Å; A166-H170 WeakPolarHBondContact O-CB 3.49Å; A166-H170 PolarHBondContact O-N 2.88Å
167	A	80.8	Confident	76.8	Confident	64 Å²	64	109.4 Å²	109.4	53%	0.529	57%	0.566	S	S	.	*	H	α-helix	trans	-61.3	-41.7	173.6	0	0	0	0	0	112.3	D165 H170 L171	D165-A167 PolarHBondContact O-N 3.11Å; D165-A167 VanDerWaalsContact O-N 3.12Å; A167-H170 PolarHBondContact O-N 3.34Å; A167-L171 WeakPolarHBondContact O-CB 3.42Å; A167-L171 PolarHBondContact O-N 2.85Å
168	T	79.9	Confident	77.7	Confident	51 Å²	51	114 Å²	114	31%	0.313	58%	0.584	S	S	.	*	H	α-helix	trans	-67.4	-43.9	178.7	-51.4	0	0	0	0	111.3	V154 P164 D165 H170 L171 A172	V154-T168 HydrophobicContact CG1-CG2 4.09Å; P164-T168 HydrophobicContact CB-CG2 3.92Å; D165-T168 WeakPolarHBondContact O-CA 3.38Å; D165-T168 VanDerWaalsContact O-CB 3.29Å; D165-T168 WeakPolarHBondContact O-CB 3.41Å; D165-T168 PolarHBondContact O-N 3.4Å; T168-H170 VanDerWaalsContact C-N 3.33Å; T168-H170 PolarHBondContact O-N 3.48Å; T168-L171 PolarHBondContact O-N 2.82Å; T168-A172 WeakPolarHBondContact O-CB 3.19Å; T168-A172 PolarHBondContact O-N 3.37Å
169	I	78.1	Confident	78.1	Confident	95 Å²	95	110.8 Å²	110.8	49%	0.487	58%	0.575	S	S	.	*	H	α-helix	trans	-60.8	-44.1	175.6	-61.6	174.8	0	0	0	110.3	P164 D165 A166 L171 A172 R173	P164-I169 WeakPolarHBondContact O-CD1 3.25Å; D165-I169 PolarHBondContact O-N 3.44Å; D165-I169 VanDerWaalsContact O-N 3.16Å; A166-I169 PolarHBondContact O-N 2.79Å; I169-L171 PolarHBondContact O-N 2.88Å; I169-A172 PolarHBondContact O-N 3.37Å; I169-R173 WeakPolarHBondContact O-CB 3.33Å; I169-R173 PolarHBondContact O-N 2.77Å
170	H	83	Confident	78.7	Confident	127 Å²	127	109.4 Å²	109.4	59%	0.588	57%	0.569	S	S	*	*	H	α-helix	trans	-67.3	-34.9	178.3	-163.7	-50.7	0	0	0	112.6	A166 A167 T168 K174	A166-H170 WeakPolarHBondContact O-CB 3.49Å; A166-H170 PolarHBondContact O-N 2.88Å; A167-H170 PolarHBondContact O-N 3.34Å; T168-H170 VanDerWaalsContact C-N 3.33Å; T168-H170 PolarHBondContact O-N 3.48Å; H170-K174 VanDerWaalsContact O-CB 3.27Å; H170-K174 WeakPolarHBondContact O-CB 3.36Å; H170-K174 PolarHBondContact O-N 3.32Å
171	L	80.9	Confident	78.9	Confident	118 Å²	118	105.8 Å²	105.8	62%	0.618	56%	0.559	S	S	*	*	H	α-helix	trans	-68.6	-45	176.8	-151.7	161.6	0	0	0	110.6	A167 T168 I169 K174 Q175	A167-L171 WeakPolarHBondContact O-CB 3.42Å; A167-L171 PolarHBondContact O-N 2.85Å; T168-L171 PolarHBondContact O-N 2.82Å; I169-L171 PolarHBondContact O-N 2.88Å; L171-K174 PolarHBondContact O-N 3.17Å; L171-Q175 PolarHBondContact O-N 2.94Å
172	A	78.6	Confident	79	Confident	47 Å²	47	108.4 Å²	108.4	39%	0.388	56%	0.556	S	S	.	*	H	α-helix	trans	-62.2	-42	173.8	0	0	0	0	0	112.6	T168 I169 Q175 R176	T168-A172 WeakPolarHBondContact O-CB 3.19Å; T168-A172 PolarHBondContact O-N 3.37Å; I169-A172 PolarHBondContact O-N 3.37Å; A172-Q175 PolarHBondContact O-N 3.45Å; A172-R176 PolarHBondContact O-N 3.44Å
173	R	83.9	Confident	78.2	Confident	194 Å²	194	110 Å²	110	73%	0.732	56%	0.561	S	S	*	*	H	α-helix	trans	-62	-44.5	176.3	-160.3	176.2	-165.7	176.8	5.1	111.3	I169 Q175 R176 E177	I169-R173 WeakPolarHBondContact O-CB 3.33Å; I169-R173 PolarHBondContact O-N 2.77Å; R173-Q175 VanDerWaalsContact C-N 3.31Å; R173-Q175 PolarHBondContact O-N 3.04Å; R173-R176 PolarHBondContact O-N 3.35Å; R173-E177 WeakPolarHBondContact O-CB 3.46Å; R173-E177 PolarHBondContact O-N 3.2Å
174	K	88.4	Confident	77.6	Confident	121 Å²	121	110.4 Å²	110.4	53%	0.526	56%	0.56	S	S	.	*	H	α-helix	trans	-66.2	-29.1	176	-171.6	172	-173.1	169.8	0	113.3	H170 L171 K178	H170-K174 VanDerWaalsContact O-CB 3.27Å; H170-K174 WeakPolarHBondContact O-CB 3.36Å; H170-K174 PolarHBondContact O-N 3.32Å; L171-K174 PolarHBondContact O-N 3.17Å; K174-K178 PolarHBondContact O-N 2.99Å; K174-K178 VanDerWaalsContact O-N 3.12Å
175	Q	79.9	Confident	76.6	Confident	135 Å²	135	112.9 Å²	112.9	63%	0.631	58%	0.578	S	S	*	*	H	α-helix	trans	-72.8	-43.3	173.2	-170.5	174.7	7.7	0	0	111.5	L171 A172 R173 K178 A179	L171-Q175 PolarHBondContact O-N 2.94Å; A172-Q175 PolarHBondContact O-N 3.45Å; R173-Q175 VanDerWaalsContact C-N 3.31Å; R173-Q175 PolarHBondContact O-N 3.04Å; Q175-K178 PolarHBondContact O-N 3.01Å; Q175-A179 PolarHBondContact O-N 3.38Å
176	R	79.3	Confident	75.2	Confident	202 Å²	202	111.4 Å²	111.4	76%	0.762	58%	0.576	S	S	*	*	H	α-helix	trans	-62.9	-40.8	173.3	-72.9	-178	176.5	-177.6	-1.3	112.5	A172 R173 A179 K180	A172-R176 PolarHBondContact O-N 3.44Å; R173-R176 PolarHBondContact O-N 3.35Å; R176-A179 PolarHBondContact O-N 3.46Å; R176-K180 PolarHBondContact O-N 2.89Å
177	E	79.6	Confident	73.2	Confident	135 Å²	135	114.6 Å²	114.6	63%	0.631	58%	0.583	S	S	*	*	H	α-helix	trans	-63.2	-42.5	175.8	-171.2	179.1	-162.7	0	0	111.6	R173 K180 S181	R173-E177 WeakPolarHBondContact O-CB 3.46Å; R173-E177 PolarHBondContact O-N 3.2Å; E177-K180 PolarHBondContact O-N 3.49Å; E177-S181 WeakPolarHBondContact O-CB 3.14Å; E177-S181 PolarHBondContact O-N 3Å; E177-S181 PolarHBondContact O-OG 2.97Å
178	K	78.5	Confident	71.2	Confident	147 Å²	147	119.9 Å²	119.9	64%	0.639	60%	0.597	S	S	*	*	H	α-helix	trans	-60.7	-44.1	170.8	-86.2	-173.2	170.6	-170.9	0	112.9	K174 Q175 S181 L182	K174-K178 PolarHBondContact O-N 2.99Å; K174-K178 VanDerWaalsContact O-N 3.12Å; Q175-K178 PolarHBondContact O-N 3.01Å; K178-S181 WeakPolarHBondContact CA-OG 3.46Å; K178-S181 PolarHBondContact O-N 3.17Å; K178-S181 PolarHBondContact O-OG 3.27Å; K178-L182 PolarHBondContact O-N 3.14Å
179	A	73.8	Confident	69	Low	49 Å²	49	123.2 Å²	123.2	41%	0.405	62%	0.622	S	S	.	*	H	α-helix	trans	-62.9	-45.9	178.5	0	0	0	0	0	111.5	Q175 R176 S181 L182 I183	Q175-A179 PolarHBondContact O-N 3.38Å; R176-A179 PolarHBondContact O-N 3.46Å; A179-S181 PolarHBondContact O-N 2.94Å; A179-L182 PolarHBondContact O-N 3.4Å; A179-L182 VanDerWaalsContact O-N 3.15Å; A179-I183 WeakPolarHBondContact O-CG1 3.47Å; A179-I183 PolarHBondContact O-N 3.35Å; A179-I183 VanDerWaalsContact O-N 3.09Å
180	K	75.4	Confident	67	Low	158 Å²	158	123.5 Å²	123.5	69%	0.687	63%	0.63	S	S	*	*	H	α-helix	trans	-54.5	-51.9	170.7	-85.1	-161.7	168.8	-161.9	0	111.4	R176 E177 L182 I183 E184	R176-K180 PolarHBondContact O-N 2.89Å; E177-K180 PolarHBondContact O-N 3.49Å; K180-L182 PolarHBondContact O-N 3.44Å; K180-L182 VanDerWaalsContact O-N 3.13Å; K180-I183 PolarHBondContact O-N 2.7Å; K180-E184 WeakPolarHBondContact O-CB 3.43Å; K180-E184 PolarHBondContact O-N 3.46Å
181	S	71.5	Confident	64.8	Low	65 Å²	65	123.3 Å²	123.3	46%	0.455	64%	0.638	S	S	.	*	H	α-helix	trans	-61.9	-23.5	180	73.9	0	0	0	0	114.3	E177 K178 A179 S185	E177-S181 WeakPolarHBondContact O-CB 3.14Å; E177-S181 PolarHBondContact O-N 3Å; E177-S181 PolarHBondContact O-OG 2.97Å; K178-S181 WeakPolarHBondContact CA-OG 3.46Å; K178-S181 PolarHBondContact O-N 3.17Å; K178-S181 PolarHBondContact O-OG 3.27Å; A179-S181 PolarHBondContact O-N 2.94Å; S181-S185 VanDerWaalsContact O-CB 3.26Å; S181-S185 WeakPolarHBondContact O-CB 3.06Å; S181-S185 PolarHBondContact O-N 3.01Å; S181-S185 PolarHBondContact O-OG 3.25Å
182	L	70.6	Confident	62.5	Low	124 Å²	124	128 Å²	128	65%	0.649	65%	0.649	S	S	*	*	H	α-helix	trans	-78.9	-47.2	177.4	-167.6	68	0	0	0	110.6	K178 A179 K180 S185 S186	K178-L182 PolarHBondContact O-N 3.14Å; A179-L182 PolarHBondContact O-N 3.4Å; A179-L182 VanDerWaalsContact O-N 3.15Å; K180-L182 PolarHBondContact O-N 3.44Å; K180-L182 VanDerWaalsContact O-N 3.13Å; L182-S185 PolarHBondContact O-N 2.88Å; L182-S185 VanDerWaalsContact O-N 3.14Å; L182-S185 PolarHBondContact O-OG 3.46Å; L182-S186 PolarHBondContact O-N 3.37Å
183	I	63	Low	60.6	Low	110 Å²	110	136.2 Å²	136.2	56%	0.564	67%	0.672	S	S	*	*	H	α-helix	trans	-61.5	-47.5	175.3	-63.8	163.8	0	0	0	110.5	A179 K180 S185 S186	A179-I183 WeakPolarHBondContact O-CG1 3.47Å; A179-I183 PolarHBondContact O-N 3.35Å; A179-I183 VanDerWaalsContact O-N 3.09Å; K180-I183 PolarHBondContact O-N 2.7Å; I183-S185 PolarHBondContact O-N 3.02Å; I183-S185 VanDerWaalsContact O-N 3.1Å; I183-S186 PolarHBondContact O-N 2.98Å; I183-S186 PolarHBondContact O-OG 2.84Å
184	E	60.3	Low	58.5	Low	160 Å²	160	133 Å²	133	75%	0.748	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	-13.3	177.6	-163.1	168.5	-132.3	0	0	112.7	K180	K180-E184 WeakPolarHBondContact O-CB 3.43Å; K180-E184 PolarHBondContact O-N 3.46Å
185	S	57.9	Low	55.9	Low	85 Å²	85	131.9 Å²	131.9	59%	0.594	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	-5.7	172.5	76.9	0	0	0	0	114.9	S181 L182 I183	S181-S185 VanDerWaalsContact O-CB 3.26Å; S181-S185 WeakPolarHBondContact O-CB 3.06Å; S181-S185 PolarHBondContact O-N 3.01Å; S181-S185 PolarHBondContact O-OG 3.25Å; L182-S185 PolarHBondContact O-N 2.88Å; L182-S185 VanDerWaalsContact O-N 3.14Å; L182-S185 PolarHBondContact O-OG 3.46Å; I183-S185 PolarHBondContact O-N 3.02Å; I183-S185 VanDerWaalsContact O-N 3.1Å
186	S	52.2	Low	53.9	Low	82 Å²	82	131.5 Å²	131.5	57%	0.573	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	-19.2	179	53	0	0	0	0	114.6	L182 I183 H188	L182-S186 PolarHBondContact O-N 3.37Å; I183-S186 PolarHBondContact O-N 2.98Å; I183-S186 PolarHBondContact O-OG 2.84Å; S186-H188 PolarHBondContact O-N 3.34Å
187	D	41.3	Very low	52	Low	137 Å²	137	129.6 Å²	129.6	73%	0.733	69%	0.686	S	S	*	*			trans	-78.5	59	178	-78.5	-26.4	0	0	0	113.4
188	H	38.5	Very low	50.1	Low	176 Å²	176	129.9 Å²	129.9	82%	0.815	69%	0.692	S	S	*	*			trans	-147.4	77.5	168.4	-122.6	62	0	0	0	112.4	S186 P190	S186-H188 PolarHBondContact O-N 3.34Å; H188-P190 WeakPolarHBondContact O-CD 3.34Å
189	S	34.5	Very low	48.1	Very low	120 Å²	120	130.5 Å²	130.5	84%	0.839	70%	0.702	S	S	*	*			trans	-91.3	114.2	171.6	-154.1	0	0	0	0	110.2	T191	S189-T191 PolarHBondContact O-N 3.31Å
190	P	35	Very low	46.4	Very low	102 Å²	102	130.8 Å²	130.8	66%	0.662	71%	0.71	S	S	*	*			trans	-88.6	110.3	-169.8	31.6	-31.7	0	0	0	112.9	H188 Y192	H188-P190 WeakPolarHBondContact O-CD 3.34Å; P190-Y192 PolarHBondContact O-N 3.45Å
191	T	37.2	Very low	44.6	Very low	123 Å²	123	134.1 Å²	134.1	76%	0.755	72%	0.718	S	S	*	*			trans	-67.3	118.6	170.3	-52.4	0	0	0	0	111	S189 Y193	S189-T191 PolarHBondContact O-N 3.31Å; T191-Y193 HydrophobicContact CG2-CD2 4.09Å; T191-Y193 HydrophobicContact CG2-CE2 4.21Å; T191-Y193 PolarHBondContact O-N 3.39Å
192	Y	32.3	Very low	42.8	Very low	216 Å²	216	141.2 Å²	141.2	85%	0.847	74%	0.735	S	S	*	*			trans	-76.5	113.2	172.8	-91.2	-103.3	0	0	0	111.2	P190	P190-Y192 PolarHBondContact O-N 3.45Å
193	Y	39.3	Very low	41.2	Very low	220 Å²	220	141.5 Å²	141.5	86%	0.863	74%	0.736	S	S	*	*			trans	-132.4	151.7	149.1	-81.8	-72.6	0	0	0	110.7	T191	T191-Y193 HydrophobicContact CG2-CD2 4.09Å; T191-Y193 HydrophobicContact CG2-CE2 4.21Å; T191-Y193 PolarHBondContact O-N 3.39Å
194	S	39.3	Very low	40	Very low	126 Å²	126	141.2 Å²	141.2	88%	0.881	74%	0.74	S	S	*	*			trans	-72.7	144.1	-159	-156.6	0	0	0	0	113.8
195	S	34.4	Very low	38.8	Very low	97 Å²	97	142.2 Å²	142.2	68%	0.678	74%	0.736	S	S	*	*			trans	-102.1	142.4	-177.8	-176.6	0	0	0	0	112.3
196	N	37.8	Very low	38.1	Very low	127 Å²	127	144.3 Å²	144.3	68%	0.679	74%	0.737	S	S	*	*			trans	155.2	140	146.4	-80.8	-45.3	0	0	0	108.3
197	K	39.4	Very low	37.9	Very low	163 Å²	163	146.4 Å²	146.4	71%	0.709	74%	0.742	S	S	*	*			cis	-168.7	162.4	-3.2	-122.1	166.2	-173.3	165.9	0	109.9
198	N	39.2	Very low	38.1	Very low	141 Å²	141	146.2 Å²	146.2	75%	0.754	74%	0.741	S	S	*	*			trans	68.9	107.9	159	-60.4	3.7	0	0	0	117.2
199	D	37.5	Very low	38.6	Very low	159 Å²	159	144.3 Å²	144.3	85%	0.85	74%	0.736	S	S	*	*				96.6	121.8	79.5	-171.3	22.3	0	0	0	111.8
200	G	38.4	Very low	39.2	Very low	55 Å²	55	146 Å²	146	57%	0.567	74%	0.736	S	S	*	*			trans	125	84.4	153.3	0	0	0	0	0	120.4
201	R	37.9	Very low	39.7	Very low	228 Å²	228	148.2 Å²	148.2	86%	0.86	74%	0.743	S	S	*	*			trans	58.2	128.2	131.4	-52.5	172.8	-157	-160.8	5.5	121.8
202	R	33.8	Very low	40.1	Very low	214 Å²	214	150.6 Å²	150.6	81%	0.808	75%	0.745	S	S	*	*			trans	67.2	125.6	131.8	-83.3	-175.1	155.9	-136	-2.6	121.2
203	L	36	Very low	40.9	Very low	130 Å²	130	146.3 Å²	146.3	68%	0.681	74%	0.736	S	S	*	*			trans	65.9	150.7	132.7	-61.4	171.2	0	0	0	118.1
204	V	39.1	Very low	41.1	Very low	105 Å²	105	141.7 Å²	141.7	64%	0.636	73%	0.726	S	S	*	*			cis	-172.5	157.9	-25.1	82.6	0	0	0	0	106.1
205	R	35.2	Very low	41.3	Very low	180 Å²	180	141.7 Å²	141.7	68%	0.679	72%	0.717	S	S	*	*			trans	77.6	127.4	165.8	-75.3	176.3	145.6	73	30.8	117.8
206	E	42.9	Very low	41.8	Very low	129 Å²	129	143.8 Å²	143.8	60%	0.603	72%	0.72	S	S	*	*				85.3	137.1	97.4	-70.1	165.6	-174	0	0	109.9
207	D	46.5	Very low	42.1	Very low	127 Å²	127	145.2 Å²	145.2	68%	0.679	72%	0.723	S	S	*	*			cis	-158.5	-163.9	-5.4	-94	-27.2	0	0	0	108
208	D	46.7	Very low	42.1	Very low	132 Å²	132	144.6 Å²	144.6	71%	0.706	73%	0.727	S	S	*	*			trans	84	108.7	153	-53.3	-21.9	0	0	0	120.1
209	D	49.5	Very low	42.1	Very low	136 Å²	136	142.7 Å²	142.7	73%	0.727	73%	0.731	S	S	*	*				63.2	139.7	116.8	-49.3	-16.3	0	0	0	119.6
210	D	46.9	Very low	41.7	Very low	155 Å²	155	140.7 Å²	140.7	83%	0.829	73%	0.729	S	S	*	*			cis	-149.5	162.1	42.4	-92.4	-57.2	0	0	0	113.1
211	D	45.2	Very low	41.4	Very low	150 Å²	150	145.2 Å²	145.2	80%	0.802	74%	0.74	S	S	*	*			trans	-73.7	171	177.7	-63.5	-62.5	0	0	0	114.4
212	E	46.2	Very low	41.3	Very low	173 Å²	173	141 Å²	141	81%	0.808	73%	0.732	S	S	*	*				-169.3	109.3	116.1	-98	-169.7	-180	0	0	112.4
213	L	47.4	Very low	41.1	Very low	125 Å²	125	136.3 Å²	136.3	65%	0.654	73%	0.728	S	S	*	*				66.8	116.4	121.5	-61.6	175.8	0	0	0	122.3
214	N	45.2	Very low	40.9	Very low	124 Å²	124	136.6 Å²	136.6	66%	0.663	74%	0.735	S	S	*	*				66.1	155.5	116.9	-69.5	39.1	0	0	0	119.8
215	D	42.5	Very low	40.5	Very low	126 Å²	126	137.8 Å²	137.8	67%	0.674	74%	0.742	S	S	*	*			cis	-151.7	179.5	-12.8	-86.6	-24.2	0	0	0	105.7
216	D	45.5	Very low	40.3	Very low	140 Å²	140	134.5 Å²	134.5	75%	0.749	75%	0.747	S	S	*	*			cis	-155.9	-176.1	20.6	-147.9	-15	0	0	0	112.9
217	E	42.7	Very low	39.5	Very low	158 Å²	158	139.3 Å²	139.3	74%	0.738	77%	0.766	S	S	*	*			trans	-51.3	149.4	-177.7	-75.7	174.6	176.8	0	0	122.9
218	D	39.4	Very low	39	Very low	150 Å²	150	138 Å²	138	80%	0.802	77%	0.767	S	S	*	*				35.1	130.8	129	-59.1	-18.5	0	0	0	123.2
219	A	38.9	Very low	38.4	Very low	101 Å²	101	140 Å²	140	84%	0.835	78%	0.778	S	S	*	*				-175.3	139.9	106.1	0	0	0	0	0	113.6
220	S	30.7	Very low	37.7	Very low	116 Å²	116	139 Å²	139	81%	0.811	78%	0.781	S	S	*	*			trans	-67.6	147.6	166.1	54.7	0	0	0	0	113.3
221	D	31.5	Very low	37	Very low	150 Å²	150	136.6 Å²	136.6	80%	0.802	78%	0.783	S	S	*	*				173.5	162.6	108.3	-166.3	22.8	0	0	0	112.9
222	M	35.1	Very low	36.4	Very low	140 Å²	140	134.2 Å²	134.2	69%	0.69	78%	0.778	S	S	*	*			trans	71	87.7	152.7	-102.5	-69.5	-175.7	0	0	120.3
223	T	29.9	Very low	35.8	Very low	116 Å²	116	134.6 Å²	134.6	71%	0.712	78%	0.779	S	S	*	*			trans	-25.1	135.6	138.9	50.5	0	0	0	0	116
224	T	32.9	Very low	35.2	Very low	135 Å²	135	136.2 Å²	136.2	83%	0.828	79%	0.787	S	S	*	*				-167.7	137.3	125.2	15.6	0	0	0	0	113.8
225	V	29.4	Very low	34.6	Very low	131 Å²	131	141.2 Å²	141.2	79%	0.794	80%	0.797	S	S	*	*			trans	-55.1	143.5	173.8	-76	0	0	0	0	115.3
226	S	31.7	Very low	34.4	Very low	111 Å²	111	141.3 Å²	141.3	78%	0.776	80%	0.804	S	S	*	*				-175.9	101.5	129.3	-82	0	0	0	0	112.6
227	F	26.6	Very low	33.7	Very low	230 Å²	230	141.9 Å²	141.9	100%	1.009	81%	0.806	S	S	*	*			trans	-92.4	109.8	156	-100.9	-94.5	0	0	0	108
228	S	35.9	Very low	33.1	Very low	99 Å²	99	143 Å²	143	69%	0.692	81%	0.808	S	S	*	*			trans	-120.1	121.5	174.4	45.4	0	0	0	0	110.8	S230	S228-S230 PolarHBondContact O-N 2.82Å
229	N	33.4	Very low	32.9	Very low	175 Å²	175	141 Å²	141	94%	0.936	80%	0.802	S	S	*	*			trans	-65.1	127.4	169.2	-88.8	-22.5	0	0	0	110.1
230	S	34.9	Very low	32.5	Very low	113 Å²	113	141.7 Å²	141.7	79%	0.79	80%	0.795	S	S	*	*			trans	-145.4	117.6	162.7	-74.1	0	0	0	0	109.2	S228	S228-S230 PolarHBondContact O-N 2.82Å
231	A	31.9	Very low	32.8	Very low	105 Å²	105	141.1 Å²	141.1	87%	0.868	79%	0.791	S	S	*	*			trans	-90.6	121.3	176	0	0	0	0	0	110.5
232	S	33.7	Very low	32.8	Very low	100 Å²	100	142.5 Å²	142.5	70%	0.699	79%	0.79	S	S	*	*			trans	-174	116.8	155.2	53	0	0	0	0	112.3
233	E	32.7	Very low	32.8	Very low	181 Å²	181	142.9 Å²	142.9	85%	0.846	80%	0.795	S	S	*	*			trans	60.2	155.9	137.1	-53.9	-170.8	136.7	0	0	122.8
234	I	34.8	Very low	32.9	Very low	160 Å²	160	149.3 Å²	149.3	82%	0.821	81%	0.806	S	S	*	*			trans	78.3	106.5	165.2	-53.8	161.5	0	0	0	116.5
235	R	33.6	Very low	32.9	Very low	229 Å²	229	151.5 Å²	151.5	86%	0.864	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-72.2	137.8	165.1	-56.9	176.1	-178.7	-148.1	-1.1	109.5
236	P	37.6	Very low	33	Very low	127 Å²	127	152.6 Å²	152.6	83%	0.825	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-67.9	138	164.8	29.2	-32.4	0	0	0	110.1
237	I	30	Very low	33.1	Very low	153 Å²	153	152.8 Å²	152.8	79%	0.785	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-77.5	137	-173.4	-155.9	164	0	0	0	110.7	V239	I237-V239 HydrophobicContact CG2-CG2 4.17Å; I237-V239 PolarHBondContact O-N 3.3Å; I237-V239 VanDerWaalsContact O-N 3.17Å
238	F	30.3	Very low	33.9	Very low	180 Å²	180	145.2 Å²	145.2	79%	0.789	79%	0.79	S	S	*	*			trans	-79.2	100.3	178.5	177.7	-115.6	0	0	0	110.4	V240	F238-V240 HydrophobicContact CD1-CG2 3.88Å; F238-V240 HydrophobicContact CE1-CG2 3.46Å; F238-V240 VanDerWaalsContact CE1-CG2 3.46Å; F238-V240 HydrophobicContact CZ-CG2 4.19Å
239	V	35.7	Very low	34.3	Very low	109 Å²	109	149.4 Å²	149.4	66%	0.661	80%	0.795	S	S	*	*			trans	-82.2	117.6	171.2	178.8	0	0	0	0	109.2	I237 S241	I237-V239 HydrophobicContact CG2-CG2 4.17Å; I237-V239 PolarHBondContact O-N 3.3Å; I237-V239 VanDerWaalsContact O-N 3.17Å; V239-S241 PolarHBondContact O-N 3.22Å
240	V	30.3	Very low	34.7	Very low	116 Å²	116	152.1 Å²	152.1	70%	0.703	79%	0.792	S	S	*	*			trans	-77.8	97.5	174.9	177.7	0	0	0	0	109.5	F238	F238-V240 HydrophobicContact CD1-CG2 3.88Å; F238-V240 HydrophobicContact CE1-CG2 3.46Å; F238-V240 VanDerWaalsContact CE1-CG2 3.46Å; F238-V240 HydrophobicContact CZ-CG2 4.19Å
241	S	37.5	Very low	35.2	Very low	104 Å²	104	149.4 Å²	149.4	73%	0.727	78%	0.777	S	S	*	*			trans	-89.8	142.6	162.4	-72.2	0	0	0	0	110.7	V239	V239-S241 PolarHBondContact O-N 3.22Å
242	K	32	Very low	36.2	Very low	178 Å²	178	149.1 Å²	149.1	77%	0.774	76%	0.764	S	S	*	*			trans	-66.1	167.5	176.6	-80.8	174.6	173.9	168.4	0	112
243	D	34.8	Very low	37.2	Very low	148 Å²	148	149.4 Å²	149.4	79%	0.791	76%	0.757	S	S	*	*			trans	70.5	96.9	162.8	-48	-36.7	0	0	0	115.9
244	R	31.6	Very low	38.8	Very low	251 Å²	251	142.3 Å²	142.3	95%	0.947	73%	0.732	S	S	*	*			trans	-156	133.2	135.3	-119.6	171.3	130.2	142.7	-0.5	113.9
245	E	31.8	Very low	40.4	Very low	182 Å²	182	137.8 Å²	137.8	85%	0.85	72%	0.719	S	S	*	*			trans	-68.9	149.5	-178	-62.5	156	126	0	0	112	C247	E245-C247 PolarHBondContact O-N 3.49Å
246	T	33.1	Very low	42	Very low	154 Å²	154	136.5 Å²	136.5	95%	0.945	71%	0.714	S	S	*	*	S	Bend	trans	-77.1	84.4	176.5	51.2	0	0	0	0	111.1
247	C	33.6	Very low	43.6	Very low	114 Å²	114	135.6 Å²	135.6	77%	0.77	70%	0.702	S	S	*	*			trans	-138.3	151.3	166.7	-160.3	0	0	0	0	112.2	E245	E245-C247 PolarHBondContact O-N 3.49Å
248	S	43.3	Very low	45.6	Very low	71 Å²	71	132.7 Å²	132.7	50%	0.497	69%	0.688	S	S	.	*			trans	73.2	24.2	164.4	-133.9	0	0	0	0	121	R250 A251	S248-R250 VanDerWaalsContact C-N 3.26Å; S248-R250 PolarHBondContact O-N 2.99Å; S248-A251 WeakPolarHBondContact OG-CB 3.47Å
249	K	43.7	Very low	47.8	Very low	188 Å²	188	131.8 Å²	131.8	82%	0.817	68%	0.679	S	S	*	*	H	α-helix	trans	-68.8	-21.3	163.4	-80	-171.6	177.4	-178.9	0	114
250	R	41.7	Very low	49.6	Very low	231 Å²	231	134.1 Å²	134.1	87%	0.872	68%	0.676	S	S	*	*	H	α-helix	trans	-81.2	-34	179.9	-143.8	176.1	-163.2	179.3	4.7	113.2	S248 G254	S248-R250 VanDerWaalsContact C-N 3.26Å; S248-R250 PolarHBondContact O-N 2.99Å; R250-G254 PolarHBondContact O-N 3.46Å
251	A	46.7	Very low	51.7	Low	57 Å²	57	135.2 Å²	135.2	47%	0.471	67%	0.674	S	S	.	*	H	α-helix	trans	-70.6	-38.2	178.6	0	0	0	0	0	112.4	S248 I253 G254 A255	S248-A251 WeakPolarHBondContact OG-CB 3.47Å; A251-I253 VanDerWaalsContact C-N 3.29Å; A251-I253 PolarHBondContact O-N 3.36Å; A251-G254 PolarHBondContact O-N 3.05Å; A251-A255 WeakPolarHBondContact O-CB 3.47Å; A251-A255 PolarHBondContact O-N 3.31Å
252	V	52.2	Low	53.5	Low	98 Å²	98	135.5 Å²	135.5	59%	0.594	66%	0.663	S	S	*	*	H	α-helix	trans	-63.7	-34.3	177.6	177.9	0	0	0	0	112	R256	V252-R256 VanDerWaalsContact O-CB 3.22Å; V252-R256 WeakPolarHBondContact O-CB 3.45Å; V252-R256 PolarHBondContact O-N 2.89Å
253	I	53.7	Low	55.6	Low	106 Å²	106	130.9 Å²	130.9	54%	0.544	65%	0.645	S	S	.	*	H	α-helix	trans	-71.8	-43.6	174.4	-62.5	170.5	0	0	0	110.5	A251 R256 L257	A251-I253 VanDerWaalsContact C-N 3.29Å; A251-I253 PolarHBondContact O-N 3.36Å; I253-R256 PolarHBondContact O-N 3.24Å; I253-L257 HydrophobicContact CG2-CD1 4.06Å; I253-L257 WeakPolarHBondContact O-CG 3.4Å; I253-L257 PolarHBondContact O-N 3.28Å
254	G	67.3	Low	57.4	Low	32 Å²	32	128.6 Å²	128.6	33%	0.33	63%	0.632	S	S	.	*	H	α-helix	trans	-60	-49.2	176.4	0	0	0	0	0	113.1	R250 A251 R256 L257 N258	R250-G254 PolarHBondContact O-N 3.46Å; A251-G254 PolarHBondContact O-N 3.05Å; G254-R256 VanDerWaalsContact C-N 3.29Å; G254-R256 PolarHBondContact O-N 3.49Å; G254-L257 PolarHBondContact O-N 3.49Å; G254-N258 PolarHBondContact O-N 2.92Å
255	A	68.7	Low	59.7	Low	66 Å²	66	122 Å²	122	55%	0.545	61%	0.61	S	S	.	*	H	α-helix	trans	-62	-36.1	177	0	0	0	0	0	112.6	A251 R259	A251-A255 WeakPolarHBondContact O-CB 3.47Å; A251-A255 PolarHBondContact O-N 3.31Å; A255-R259 WeakPolarHBondContact O-CB 3.32Å; A255-R259 PolarHBondContact O-N 2.95Å
256	R	67.1	Low	61.9	Low	202 Å²	202	116.8 Å²	116.8	76%	0.762	59%	0.593	S	S	*	*	H	α-helix	trans	-74.3	-25.6	177.5	-166	173.4	-173.9	174.3	1.5	113.1	V252 I253 G254 R260	V252-R256 VanDerWaalsContact O-CB 3.22Å; V252-R256 WeakPolarHBondContact O-CB 3.45Å; V252-R256 PolarHBondContact O-N 2.89Å; I253-R256 PolarHBondContact O-N 3.24Å; G254-R256 VanDerWaalsContact C-N 3.29Å; G254-R256 PolarHBondContact O-N 3.49Å; R256-R260 WeakPolarHBondContact O-CB 3.27Å; R256-R260 PolarHBondContact O-N 3.28Å
257	L	69.9	Low	63.8	Low	107 Å²	107	114.6 Å²	114.6	56%	0.56	57%	0.574	S	S	*	*	H	α-helix	trans	-76.1	-50.7	170.6	-76.1	169	0	0	0	111.1	I253 G254 R259 R260 E261	I253-L257 HydrophobicContact CG2-CD1 4.06Å; I253-L257 WeakPolarHBondContact O-CG 3.4Å; I253-L257 PolarHBondContact O-N 3.28Å; G254-L257 PolarHBondContact O-N 3.49Å; L257-R259 VanDerWaalsContact C-N 3.32Å; L257-R259 PolarHBondContact O-N 3.47Å; L257-R260 WeakPolarHBondContact O-CB 3.41Å; L257-R260 PolarHBondContact O-N 3.44Å; L257-E261 PolarHBondContact O-N 3.25Å
258	N	72.5	Confident	65.8	Low	92 Å²	92	117.9 Å²	117.9	49%	0.492	57%	0.57	S	S	.	*	H	α-helix	trans	-53.7	-48.2	175.5	-91.6	47.8	0	0	0	111.8	G254 R260 E261 E262	G254-N258 PolarHBondContact O-N 2.92Å; N258-R260 VanDerWaalsContact C-N 3.26Å; N258-R260 PolarHBondContact O-N 2.7Å; N258-E261 CarbonylContact O-C 3.59Å; N258-E261 PolarHBondContact O-N 3.21Å; N258-E261 VanDerWaalsContact O-N 3.07Å; N258-E262 WeakPolarHBondContact O-CB 3.32Å; N258-E262 WeakPolarHBondContact O-CG 3.4Å; N258-E262 PolarHBondContact O-N 2.96Å
259	R	76.9	Confident	67.3	Low	161 Å²	161	119.2 Å²	119.2	61%	0.608	57%	0.569	S	S	*	*	H	α-helix	trans	-60.3	-35.9	178.3	-163.2	-177.2	-155.5	-104.9	10	112.7	A255 L257 E263	A255-R259 WeakPolarHBondContact O-CB 3.32Å; A255-R259 PolarHBondContact O-N 2.95Å; L257-R259 VanDerWaalsContact C-N 3.32Å; L257-R259 PolarHBondContact O-N 3.47Å; R259-E263 IonicContact CZ-OE1 3.92Å; R259-E263 IonicContact NH1-OE1 2.85Å; R259-E263 PolarHBondContact NH1-OE1 2.91Å; R259-E263 WeakPolarHBondContact O-CB 3.12Å; R259-E263 WeakPolarHBondContact O-CG 3.39Å; R259-E263 PolarHBondContact O-N 3.43Å
260	R	73.5	Confident	68.5	Low	159 Å²	159	115.6 Å²	115.6	60%	0.6	56%	0.558	S	S	*	*	H	α-helix	trans	-74	-31.6	176.8	-170.4	172.6	-172.7	77.7	-5.2	112.1	R256 L257 N258 L264	R256-R260 WeakPolarHBondContact O-CB 3.27Å; R256-R260 PolarHBondContact O-N 3.28Å; L257-R260 WeakPolarHBondContact O-CB 3.41Å; L257-R260 PolarHBondContact O-N 3.44Å; N258-R260 VanDerWaalsContact C-N 3.26Å; N258-R260 PolarHBondContact O-N 2.7Å; R260-L264 HydrophobicContact CG-CD1 4.46Å; R260-L264 WeakPolarHBondContact O-CB 3.43Å; R260-L264 WeakPolarHBondContact O-CD1 3.31Å; R260-L264 WeakPolarHBondContact O-CG 3.37Å; R260-L264 PolarHBondContact O-N 2.68Å
261	E	74.1	Confident	69.8	Low	139 Å²	139	111.2 Å²	111.2	65%	0.65	55%	0.546	S	S	*	.	H	α-helix	trans	-74.4	-35.8	174.5	-168.9	157.4	-158.2	0	0	111.5	L257 N258 L264 K265	L257-E261 PolarHBondContact O-N 3.25Å; N258-E261 CarbonylContact O-C 3.59Å; N258-E261 PolarHBondContact O-N 3.21Å; N258-E261 VanDerWaalsContact O-N 3.07Å; E261-L264 PolarHBondContact O-N 2.86Å; E261-K265 VanDerWaalsContact O-CB 3.25Å; E261-K265 WeakPolarHBondContact O-CB 3.46Å; E261-K265 PolarHBondContact O-N 3.37Å
262	E	75.3	Confident	70.7	Confident	110 Å²	110	113.4 Å²	113.4	51%	0.514	55%	0.547	S	S	.	.	H	α-helix	trans	-66.6	-44.8	169.2	-72.7	155.8	-175.7	0	0	111.5	N258 L264 K265 C266	N258-E262 WeakPolarHBondContact O-CB 3.32Å; N258-E262 WeakPolarHBondContact O-CG 3.4Å; N258-E262 PolarHBondContact O-N 2.96Å; E262-L264 PolarHBondContact O-N 2.85Å; E262-K265 PolarHBondContact O-N 3.44Å; E262-K265 VanDerWaalsContact O-N 3.17Å; E262-C266 PolarHBondContact O-N 3.44Å
263	E	75.4	Confident	71.3	Confident	81 Å²	81	111.6 Å²	111.6	38%	0.379	54%	0.543	S	S	.	.	H	α-helix	trans	-57.1	-46.2	171.1	-76.9	162.9	-167.9	0	0	111	R259 K265 C266 I267	R259-E263 IonicContact CZ-OE1 3.92Å; R259-E263 IonicContact NH1-OE1 2.85Å; R259-E263 PolarHBondContact NH1-OE1 2.91Å; R259-E263 WeakPolarHBondContact O-CB 3.12Å; R259-E263 WeakPolarHBondContact O-CG 3.39Å; R259-E263 PolarHBondContact O-N 3.43Å; E263-K265 VanDerWaalsContact C-N 3.34Å; E263-K265 PolarHBondContact O-N 2.82Å; E263-C266 PolarHBondContact O-N 2.96Å; E263-I267 WeakPolarHBondContact O-CD1 3.3Å; E263-I267 WeakPolarHBondContact O-CG1 3.26Å; E263-I267 PolarHBondContact O-N 3.18Å
264	L	74.6	Confident	71.7	Confident	99 Å²	99	110.4 Å²	110.4	52%	0.518	55%	0.549	S	S	.	.	H	α-helix	trans	-67.5	-30.6	175.9	-76.1	167.5	0	0	0	113.4	R260 E261 E262 R268	R260-L264 HydrophobicContact CG-CD1 4.46Å; R260-L264 WeakPolarHBondContact O-CB 3.43Å; R260-L264 WeakPolarHBondContact O-CD1 3.31Å; R260-L264 WeakPolarHBondContact O-CG 3.37Å; R260-L264 PolarHBondContact O-N 2.68Å; E261-L264 PolarHBondContact O-N 2.86Å; E262-L264 PolarHBondContact O-N 2.85Å; L264-R268 WeakPolarHBondContact O-CB 3.45Å; L264-R268 PolarHBondContact O-N 2.89Å
265	K	78.3	Confident	71.2	Confident	113 Å²	113	115.2 Å²	115.2	49%	0.491	56%	0.563	S	S	.	*	H	α-helix	trans	-71.5	-45.6	175.6	-175.6	178.9	174.1	-68.3	0	110.9	E261 E262 E263 R268 E269	E261-K265 VanDerWaalsContact O-CB 3.25Å; E261-K265 WeakPolarHBondContact O-CB 3.46Å; E261-K265 PolarHBondContact O-N 3.37Å; E262-K265 PolarHBondContact O-N 3.44Å; E262-K265 VanDerWaalsContact O-N 3.17Å; E263-K265 VanDerWaalsContact C-N 3.34Å; E263-K265 PolarHBondContact O-N 2.82Å; K265-R268 PolarHBondContact O-N 2.87Å; K265-E269 WeakPolarHBondContact CE-OE1 3.29Å; K265-E269 IonicContact NZ-OE1 3.6Å; K265-E269 PolarHBondContact NZ-OE1 3.36Å; K265-E269 IonicContact NZ-OE2 3.77Å; K265-E269 PolarHBondContact NZ-OE2 3.08Å; K265-E269 WeakPolarHBondContact O-CB 3.47Å; K265-E269 WeakPolarHBondContact O-CG 3.29Å; K265-E269 PolarHBondContact O-N 3.49Å
266	C	78.5	Confident	70.5	Confident	72 Å²	72	119 Å²	119	49%	0.486	57%	0.569	S	S	.	*	H	α-helix	trans	-58.9	-48.2	171.2	-76.5	0	0	0	0	111.3	E262 E263 R268 E269 D270	E262-C266 PolarHBondContact O-N 3.44Å; E263-C266 PolarHBondContact O-N 2.96Å; C266-R268 PolarHBondContact O-N 3Å; C266-E269 CarbonylContact O-C 3.57Å; C266-E269 PolarHBondContact O-N 3.22Å; C266-D270 WeakPolarHBondContact O-CB 3.36Å; C266-D270 PolarHBondContact O-N 2.81Å
267	I	73.3	Confident	69.7	Low	109 Å²	109	112 Å²	112	56%	0.559	56%	0.56	S	S	*	*	H	α-helix	trans	-58.2	-36.5	177.3	-68.6	162.4	0	0	0	111.8	E263 F271	E263-I267 WeakPolarHBondContact O-CD1 3.3Å; E263-I267 WeakPolarHBondContact O-CG1 3.26Å; E263-I267 PolarHBondContact O-N 3.18Å; I267-F271 VanDerWaalsContact O-CB 3.25Å; I267-F271 WeakPolarHBondContact O-CB 3.44Å; I267-F271 PolarHBondContact O-N 3.48Å
268	R	75.8	Confident	68.5	Low	182 Å²	182	111.7 Å²	111.7	69%	0.687	57%	0.567	S	S	*	*	H	α-helix	trans	-72.7	-38.7	175.9	-176.3	176.3	-65.3	166.6	1.5	112.4	L264 K265 C266 M272	L264-R268 WeakPolarHBondContact O-CB 3.45Å; L264-R268 PolarHBondContact O-N 2.89Å; K265-R268 PolarHBondContact O-N 2.87Å; C266-R268 PolarHBondContact O-N 3Å; R268-M272 HydrophobicContact CG-CG 4.49Å; R268-M272 WeakPolarHBondContact O-CB 3.35Å; R268-M272 WeakPolarHBondContact O-CG 3.36Å; R268-M272 PolarHBondContact O-N 3.19Å
269	E	73.7	Confident	67.3	Low	100 Å²	100	115.5 Å²	115.5	47%	0.467	59%	0.587	S	S	.	*	H	α-helix	trans	-69.5	-40.6	177	-75.8	173.1	158.4	0	0	111	K265 C266 M272 A273	K265-E269 WeakPolarHBondContact CE-OE1 3.29Å; K265-E269 IonicContact NZ-OE1 3.6Å; K265-E269 PolarHBondContact NZ-OE1 3.36Å; K265-E269 IonicContact NZ-OE2 3.77Å; K265-E269 PolarHBondContact NZ-OE2 3.08Å; K265-E269 WeakPolarHBondContact O-CB 3.47Å; K265-E269 WeakPolarHBondContact O-CG 3.29Å; K265-E269 PolarHBondContact O-N 3.49Å; C266-E269 CarbonylContact O-C 3.57Å; C266-E269 PolarHBondContact O-N 3.22Å; E269-M272 PolarHBondContact O-N 2.93Å; E269-A273 WeakPolarHBondContact O-CB 3.48Å; E269-A273 PolarHBondContact O-N 2.96Å
270	D	70.2	Confident	65.9	Low	112 Å²	112	118.3 Å²	118.3	60%	0.599	60%	0.598	S	S	*	*	H	α-helix	trans	-62.6	-44.6	171.4	-71.1	-16.5	0	0	0	111.6	C266 M272 A273 A274	C266-D270 WeakPolarHBondContact O-CB 3.36Å; C266-D270 PolarHBondContact O-N 2.81Å; D270-M272 PolarHBondContact O-N 3.45Å; D270-A273 PolarHBondContact O-N 3.44Å; D270-A274 WeakPolarHBondContact O-CB 3.37Å; D270-A274 PolarHBondContact O-N 3.15Å
271	F	68.1	Low	64.7	Low	139 Å²	139	117.7 Å²	117.7	61%	0.61	61%	0.606	S	S	*	*	H	α-helix	trans	-63	-41.8	176.5	-173.1	-86.7	0	0	0	112.1	I267 A274 E275	I267-F271 VanDerWaalsContact O-CB 3.25Å; I267-F271 WeakPolarHBondContact O-CB 3.44Å; I267-F271 PolarHBondContact O-N 3.48Å; F271-A274 PolarHBondContact O-N 2.77Å; F271-E275 PolarHBondContact O-N 3.21Å
272	M	65.5	Low	63.7	Low	102 Å²	102	113.8 Å²	113.8	50%	0.502	59%	0.594	S	S	.	*	H	α-helix	trans	-71.3	-31.7	175.8	-67	-107.5	-63.9	0	0	112.3	R268 E269 D270 E275 H276	R268-M272 HydrophobicContact CG-CG 4.49Å; R268-M272 WeakPolarHBondContact O-CB 3.35Å; R268-M272 WeakPolarHBondContact O-CG 3.36Å; R268-M272 PolarHBondContact O-N 3.19Å; E269-M272 PolarHBondContact O-N 2.93Å; D270-M272 PolarHBondContact O-N 3.45Å; M272-E275 PolarHBondContact O-N 3.47Å; M272-H276 WeakPolarHBondContact O-CB 3.37Å; M272-H276 PolarHBondContact O-N 3.2Å; M272-H276 VanDerWaalsContact O-N 3.13Å
273	A	65.4	Low	63	Low	61 Å²	61	115.3 Å²	115.3	50%	0.504	61%	0.606	S	S	.	*	H	α-helix	trans	-70	-36	173.3	0	0	0	0	0	111.5	E269 D270 H276 G277	E269-A273 WeakPolarHBondContact O-CB 3.48Å; E269-A273 PolarHBondContact O-N 2.96Å; D270-A273 PolarHBondContact O-N 3.44Å; A273-H276 CarbonylContact O-C 3.57Å; A273-H276 PolarHBondContact O-N 2.86Å; A273-G277 WeakPolarHBondContact O-CA 3.43Å; A273-G277 PolarHBondContact O-N 3.17Å
274	A	61.8	Low	62.4	Low	81 Å²	81	118.7 Å²	118.7	67%	0.669	62%	0.622	S	S	*	*	H	α-helix	trans	-69.4	-36.8	171.8	0	0	0	0	0	112.6	D270 F271 H276	D270-A274 WeakPolarHBondContact O-CB 3.37Å; D270-A274 PolarHBondContact O-N 3.15Å; F271-A274 PolarHBondContact O-N 2.77Å; A274-H276 VanDerWaalsContact C-N 3.28Å; A274-H276 PolarHBondContact O-N 3.12Å
275	E	56.5	Low	61.7	Low	133 Å²	133	119.6 Å²	119.6	62%	0.621	62%	0.623	S	S	*	*	H	α-helix	trans	-74	-16	176.2	-168.4	168	-167.4	0	0	113.3	F271 M272	F271-E275 PolarHBondContact O-N 3.21Å; M272-E275 PolarHBondContact O-N 3.47Å
276	H	54.2	Low	61.1	Low	144 Å²	144	118.4 Å²	118.4	67%	0.667	62%	0.621	S	S	*	*	H	α-helix	trans	-122.6	4.4	-179.8	-65.4	-22.9	0	0	0	115	M272 A273 A274 S278	M272-H276 WeakPolarHBondContact O-CB 3.37Å; M272-H276 PolarHBondContact O-N 3.2Å; M272-H276 VanDerWaalsContact O-N 3.13Å; A273-H276 CarbonylContact O-C 3.57Å; A273-H276 PolarHBondContact O-N 2.86Å; A274-H276 VanDerWaalsContact C-N 3.28Å; A274-H276 PolarHBondContact O-N 3.12Å; H276-S278 PolarHBondContact O-N 3.39Å
277	G	50.1	Low	60.9	Low	55 Å²	55	119.5 Å²	119.5	57%	0.567	62%	0.619	S	S	*	*			trans	-71.3	117.9	173.2	0	0	0	0	0	110.9	A273 D279	A273-G277 WeakPolarHBondContact O-CA 3.43Å; A273-G277 PolarHBondContact O-N 3.17Å; G277-D279 PolarHBondContact O-N 2.91Å
278	S	44.9	Very low	60.9	Low	101 Å²	101	121.6 Å²	121.6	71%	0.706	62%	0.62	S	S	*	*			trans	-77.2	110.4	-170.2	60.9	0	0	0	0	113.6	H276 R280	H276-S278 PolarHBondContact O-N 3.39Å; S278-R280 PolarHBondContact O-N 3.12Å
279	D	47.8	Very low	60.6	Low	172 Å²	172	118.6 Å²	118.6	92%	0.92	61%	0.614	S	S	*	*	S	Bend	trans	47.2	13.1	146.9	-82.7	-10.8	0	0	0	119.3	G277	G277-D279 PolarHBondContact O-N 2.91Å
280	R	48.1	Very low	60.6	Low	221 Å²	221	121.2 Å²	121.2	83%	0.834	62%	0.62	S	S	*	*			trans	-152.2	46.4	-168.3	-74.6	-167.6	167.8	-169.5	-3.3	114.3	S278	S278-R280 PolarHBondContact O-N 3.12Å
281	D	47	Very low	60.9	Low	145 Å²	145	119.8 Å²	119.8	78%	0.775	61%	0.609	S	S	*	*	S	Bend	trans	-134.9	146.8	145.5	-89.8	-52.5	0	0	0	110.2
282	S	53.9	Low	61.2	Low	58 Å²	58	116.6 Å²	116.6	41%	0.406	60%	0.597	S	S	.	*			trans	-78.1	165.5	-139.6	64.6	0	0	0	0	115.8	Q284 E285	S282-Q284 PolarHBondContact O-N 3.29Å; S282-Q284 WeakPolarHBondContact OG-CB 3.45Å; S282-Q284 PolarHBondContact OG-N 3.36Å; S282-E285 PolarHBondContact O-N 2.95Å
283	D	59.3	Low	61.3	Low	141 Å²	141	116.6 Å²	116.6	75%	0.754	60%	0.598	S	S	*	*	H	α-helix	trans	-46.6	-22.9	166.2	-62.6	-47.8	0	0	0	113.3	E287	D283-E287 VanDerWaalsContact O-CB 3.28Å; D283-E287 WeakPolarHBondContact O-CB 3.36Å; D283-E287 PolarHBondContact O-N 2.98Å
284	Q	62.5	Low	61.4	Low	153 Å²	153	118.5 Å²	118.5	72%	0.715	60%	0.596	S	S	*	*	H	α-helix	trans	-70	-28.9	178.9	-151.9	162.2	-0.1	0	0	113.6	S282 W288	S282-Q284 PolarHBondContact O-N 3.29Å; S282-Q284 WeakPolarHBondContact OG-CB 3.45Å; S282-Q284 PolarHBondContact OG-N 3.36Å; Q284-W288 VanDerWaalsContact O-CB 3.26Å; Q284-W288 WeakPolarHBondContact O-CB 3.36Å; Q284-W288 PolarHBondContact O-N 3.24Å
285	E	61	Low	62	Low	118 Å²	118	120 Å²	120	55%	0.551	59%	0.588	S	S	*	*	H	α-helix	trans	-79.9	-39.5	175.5	-173.3	150	-149	0	0	111.1	S282 E287 W288 E289	S282-E285 PolarHBondContact O-N 2.95Å; E285-E287 VanDerWaalsContact C-N 3.31Å; E285-E287 PolarHBondContact O-N 3.24Å; E285-W288 PolarHBondContact O-N 3.42Å; E285-W288 VanDerWaalsContact O-N 3.16Å; E285-E289 PolarHBondContact O-N 2.86Å
286	I	66.2	Low	62.3	Low	87 Å²	87	116.4 Å²	116.4	45%	0.446	58%	0.581	S	S	.	*	H	α-helix	trans	-60.7	-40.9	169.6	-63.9	172.3	0	0	0	110.8	R290	I286-R290 WeakPolarHBondContact O-CB 3.38Å; I286-R290 WeakPolarHBondContact O-CD 3.43Å; I286-R290 WeakPolarHBondContact O-CG 3.43Å; I286-R290 PolarHBondContact O-N 3.06Å
287	E	72.9	Confident	62.5	Low	96 Å²	96	113.3 Å²	113.3	45%	0.449	57%	0.569	S	S	.	*	H	α-helix	trans	-70.2	-33.9	174.8	-176.6	56.5	-151.2	0	0	112.1	D283 E285 R290 Q291	D283-E287 VanDerWaalsContact O-CB 3.28Å; D283-E287 WeakPolarHBondContact O-CB 3.36Å; D283-E287 PolarHBondContact O-N 2.98Å; E285-E287 VanDerWaalsContact C-N 3.31Å; E285-E287 PolarHBondContact O-N 3.24Å; E287-R290 PolarHBondContact O-N 3.3Å; E287-Q291 WeakPolarHBondContact O-CG 3.49Å; E287-Q291 PolarHBondContact O-N 3.13Å; E287-Q291 PolarHBondContact OE1-NE2 2.92Å
288	W	73.4	Confident	62.7	Low	152 Å²	152	115 Å²	115	58%	0.576	56%	0.564	S	S	*	*	H	α-helix	trans	-69.8	-45.3	175.2	-172.4	94.2	0	0	0	112.1	Q284 E285 R290 Q291 Q292	Q284-W288 VanDerWaalsContact O-CB 3.26Å; Q284-W288 WeakPolarHBondContact O-CB 3.36Å; Q284-W288 PolarHBondContact O-N 3.24Å; E285-W288 PolarHBondContact O-N 3.42Å; E285-W288 VanDerWaalsContact O-N 3.16Å; W288-R290 VanDerWaalsContact C-N 3.32Å; W288-R290 PolarHBondContact O-N 3Å; W288-Q291 CarbonylContact O-C 3.6Å; W288-Q291 PolarHBondContact O-N 3.06Å; W288-Q291 VanDerWaalsContact O-N 3.13Å; W288-Q292 HydrophobicContact CD2-CG 3.91Å; W288-Q292 HydrophobicContact CE3-CG 3.83Å; W288-Q292 HydrophobicContact CH2-CG 3.77Å; W288-Q292 HydrophobicContact CZ2-CG 3.84Å; W288-Q292 VanDerWaalsContact CZ2-NE2 3.28Å; W288-Q292 HydrophobicContact CZ3-CG 3.76Å; W288-Q292 WeakPolarHBondContact O-CG 3.45Å; W288-Q292 PolarHBondContact O-N 3.46Å
289	E	69.6	Low	63.3	Low	119 Å²	119	117.1 Å²	117.1	56%	0.556	57%	0.567	S	S	*	*	H	α-helix	trans	-55.9	-47.2	170.2	-86	-155.6	127.4	0	0	111	E285 Q291 Q292 L293	E285-E289 PolarHBondContact O-N 2.86Å; E289-Q291 VanDerWaalsContact C-N 3.29Å; E289-Q291 PolarHBondContact O-N 2.87Å; E289-Q292 PolarHBondContact O-N 3.27Å; E289-Q292 VanDerWaalsContact O-N 3.16Å; E289-L293 WeakPolarHBondContact O-CB 3.49Å; E289-L293 PolarHBondContact O-N 3.11Å
290	R	75.2	Confident	63.8	Low	156 Å²	156	117 Å²	117	59%	0.589	56%	0.561	S	S	*	*	H	α-helix	trans	-57	-42.1	175.3	-77	170.1	-171.8	-78.5	-3.7	111.6	I286 E287 W288 Q294	I286-R290 WeakPolarHBondContact O-CB 3.38Å; I286-R290 WeakPolarHBondContact O-CD 3.43Å; I286-R290 WeakPolarHBondContact O-CG 3.43Å; I286-R290 PolarHBondContact O-N 3.06Å; E287-R290 PolarHBondContact O-N 3.3Å; W288-R290 VanDerWaalsContact C-N 3.32Å; W288-R290 PolarHBondContact O-N 3Å; R290-Q294 WeakPolarHBondContact O-CB 3.44Å; R290-Q294 PolarHBondContact O-N 3.45Å
291	Q	76.4	Confident	63.9	Low	81 Å²	81	110.3 Å²	110.3	38%	0.379	54%	0.542	S	S	.	.	H	α-helix	trans	-69.5	-35.5	176	-76.5	-176.3	27.7	0	0	113.7	E287 W288 E289 K295	E287-Q291 WeakPolarHBondContact O-CG 3.49Å; E287-Q291 PolarHBondContact O-N 3.13Å; E287-Q291 PolarHBondContact OE1-NE2 2.92Å; W288-Q291 CarbonylContact O-C 3.6Å; W288-Q291 PolarHBondContact O-N 3.06Å; W288-Q291 VanDerWaalsContact O-N 3.13Å; E289-Q291 VanDerWaalsContact C-N 3.29Å; E289-Q291 PolarHBondContact O-N 2.87Å; Q291-K295 WeakPolarHBondContact O-CB 3.3Å; Q291-K295 VanDerWaalsContact O-CG 3.25Å; Q291-K295 WeakPolarHBondContact O-CG 3.44Å; Q291-K295 PolarHBondContact O-N 2.91Å
292	Q	74.1	Confident	64.3	Low	73 Å²	73	108 Å²	108	34%	0.341	54%	0.535	S	S	.	.	H	α-helix	trans	-71.6	-41.9	175.6	-63.8	-58.1	-13.6	0	0	111.7	W288 E289 Q294 K295 A296	W288-Q292 HydrophobicContact CD2-CG 3.91Å; W288-Q292 HydrophobicContact CE3-CG 3.83Å; W288-Q292 HydrophobicContact CH2-CG 3.77Å; W288-Q292 HydrophobicContact CZ2-CG 3.84Å; W288-Q292 VanDerWaalsContact CZ2-NE2 3.28Å; W288-Q292 HydrophobicContact CZ3-CG 3.76Å; W288-Q292 WeakPolarHBondContact O-CG 3.45Å; W288-Q292 PolarHBondContact O-N 3.46Å; E289-Q292 PolarHBondContact O-N 3.27Å; E289-Q292 VanDerWaalsContact O-N 3.16Å; Q292-Q294 VanDerWaalsContact C-N 3.35Å; Q292-Q294 PolarHBondContact O-N 2.9Å; Q292-K295 PolarHBondContact O-N 3.22Å; Q292-A296 WeakPolarHBondContact O-CB 3.45Å; Q292-A296 PolarHBondContact O-N 3.37Å
293	L	67.1	Low	64.3	Low	102 Å²	102	107.6 Å²	107.6	53%	0.534	54%	0.535	S	S	.	.	H	α-helix	trans	-58.5	-46.2	169.9	-81.2	160.1	0	0	0	110.9	E289 K295 A296 I297	E289-L293 WeakPolarHBondContact O-CB 3.49Å; E289-L293 PolarHBondContact O-N 3.11Å; L293-K295 PolarHBondContact O-N 2.86Å; L293-A296 PolarHBondContact O-N 2.78Å; L293-I297 WeakPolarHBondContact O-CB 3.23Å; L293-I297 WeakPolarHBondContact O-CD1 3.33Å; L293-I297 WeakPolarHBondContact O-CG1 3.37Å; L293-I297 PolarHBondContact O-N 3.15Å
294	Q	68.5	Low	64.1	Low	100 Å²	100	104 Å²	104	47%	0.467	52%	0.518	S	S	.	.	H	α-helix	trans	-61	-43	176.7	-170	175.1	14.2	0	0	111.8	R290 Q292 I297 I298	R290-Q294 WeakPolarHBondContact O-CB 3.44Å; R290-Q294 PolarHBondContact O-N 3.45Å; Q292-Q294 VanDerWaalsContact C-N 3.35Å; Q292-Q294 PolarHBondContact O-N 2.9Å; Q294-I297 PolarHBondContact O-N 3.41Å; Q294-I298 HydrophobicContact CG-CD1 4.15Å; Q294-I298 WeakPolarHBondContact O-CB 3.41Å; Q294-I298 WeakPolarHBondContact O-CD1 3.4Å; Q294-I298 WeakPolarHBondContact O-CG1 3.33Å; Q294-I298 PolarHBondContact O-N 3.48Å
295	K	72.6	Confident	63.4	Low	112 Å²	112	100.3 Å²	100.3	49%	0.487	50%	0.503	S	S	.	.	H	α-helix	trans	-63.9	-40	174.4	-76.4	169.5	-177.2	170.3	0	112.9	Q291 Q292 L293	Q291-K295 WeakPolarHBondContact O-CB 3.3Å; Q291-K295 VanDerWaalsContact O-CG 3.25Å; Q291-K295 WeakPolarHBondContact O-CG 3.44Å; Q291-K295 PolarHBondContact O-N 2.91Å; Q292-K295 PolarHBondContact O-N 3.22Å; L293-K295 PolarHBondContact O-N 2.86Å
296	A	63.7	Low	63	Low	59 Å²	59	100.6 Å²	100.6	49%	0.488	50%	0.504	S	S	.	.	H	α-helix	trans	-66.5	-39.1	176	0	0	0	0	0	112.1	Q292 L293 N299	Q292-A296 WeakPolarHBondContact O-CB 3.45Å; Q292-A296 PolarHBondContact O-N 3.37Å; L293-A296 PolarHBondContact O-N 2.78Å; A296-N299 PolarHBondContact O-N 3.01Å
297	I	58.5	Low	62.5	Low	79 Å²	79	100.4 Å²	100.4	41%	0.405	52%	0.515	S	S	.	.	H	α-helix	trans	-69.8	-36.4	178.2	-68.8	163.1	0	0	0	111.7	L293 Q294 N299 Q300	L293-I297 WeakPolarHBondContact O-CB 3.23Å; L293-I297 WeakPolarHBondContact O-CD1 3.33Å; L293-I297 WeakPolarHBondContact O-CG1 3.37Å; L293-I297 PolarHBondContact O-N 3.15Å; Q294-I297 PolarHBondContact O-N 3.41Å; I297-N299 PolarHBondContact O-N 3.13Å; I297-N299 VanDerWaalsContact O-N 3.16Å; I297-Q300 PolarHBondContact O-N 3.34Å; I297-Q300 VanDerWaalsContact O-N 3.16Å
298	I	54.8	Low	61.4	Low	89 Å²	89	101.8 Å²	101.8	46%	0.456	53%	0.525	S	S	.	.	H	α-helix	trans	-56.3	-30.5	177.1	-78.4	162.8	0	0	0	112.5	Q294 Q300 L305	Q294-I298 HydrophobicContact CG-CD1 4.15Å; Q294-I298 WeakPolarHBondContact O-CB 3.41Å; Q294-I298 WeakPolarHBondContact O-CD1 3.4Å; Q294-I298 WeakPolarHBondContact O-CG1 3.33Å; Q294-I298 PolarHBondContact O-N 3.48Å; I298-Q300 PolarHBondContact O-N 2.9Å; I298-L305 HydrophobicContact CG1-CD1 4.12Å
299	N	57	Low	60.1	Low	146 Å²	146	102.4 Å²	102.4	78%	0.781	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-6	-178.3	-78.4	-11	0	0	0	115.3	A296 I297	A296-N299 PolarHBondContact O-N 3.01Å; I297-N299 PolarHBondContact O-N 3.13Å; I297-N299 VanDerWaalsContact O-N 3.16Å
300	Q	57.3	Low	59	Low	169 Å²	169	102.3 Å²	102.3	79%	0.79	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.5	-31.4	-174.4	-67.2	-167.9	-0.2	0	0	115.4	I297 I298	I297-Q300 PolarHBondContact O-N 3.34Å; I297-Q300 VanDerWaalsContact O-N 3.16Å; I298-Q300 PolarHBondContact O-N 2.9Å
301	N	50.3	Low	57.2	Low	82 Å²	82	103 Å²	103	44%	0.439	56%	0.558	S	S	.	*			trans	-171.9	124.3	164	-124.9	-78.4	0	0	0	112.1	A303 V304	N301-A303 PolarHBondContact O-N 3.41Å; N301-V304 HydrophobicContact CB-CG2 3.91Å; N301-V304 PolarHBondContact O-N 3.12Å
302	P	55.3	Low	55.1	Low	97 Å²	97	107.4 Å²	107.4	63%	0.63	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-64.7	-23.2	173.2	26.5	-33.2	0	0	0	112.7	V304 L305	P302-V304 PolarHBondContact O-N 3.24Å; P302-L305 PolarHBondContact O-N 3.27Å
303	A	55.4	Low	53.2	Low	48 Å²	48	107.1 Å²	107.1	40%	0.397	60%	0.599	S	S	.	*	G	3₁₀ helix	trans	-67.9	-16.7	179	0	0	0	0	0	114.7	N301	N301-A303 PolarHBondContact O-N 3.41Å
304	V	55.4	Low	51.8	Low	67 Å²	67	108.9 Å²	108.9	41%	0.406	61%	0.614	S	S	.	*	G	3₁₀ helix	trans	-79.9	-24	-178.6	173.2	0	0	0	0	111.9	N301 P302 A307 I308	N301-V304 HydrophobicContact CB-CG2 3.91Å; N301-V304 PolarHBondContact O-N 3.12Å; P302-V304 PolarHBondContact O-N 3.24Å; V304-A307 PolarHBondContact O-N 3.43Å; V304-I308 HydrophobicContact CG1-CD1 3.56Å; V304-I308 WeakPolarHBondContact O-CG1 3.39Å
305	L	45.9	Very low	49.9	Very low	75 Å²	75	113.2 Å²	113.2	39%	0.393	64%	0.635	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.8	-34.2	-178.7	-89.7	160.1	0	0	0	113.9	I298 P302 A307	I298-L305 HydrophobicContact CG1-CD1 4.12Å; P302-L305 PolarHBondContact O-N 3.27Å; L305-A307 VanDerWaalsContact C-N 3.3Å; L305-A307 PolarHBondContact O-N 3.18Å
306	E	53.5	Low	48	Very low	123 Å²	123	115 Å²	115	58%	0.575	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-20.3	175.7	-71	-166.6	155.4	0	0	112.8	H360	E306-H360 IonicContact OE1-ND1 2.91Å
307	A	55	Low	46.5	Very low	83 Å²	83	116.8 Å²	116.8	69%	0.686	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	-8.3	-177.4	0	0	0	0	0	114.7	V304 L305	V304-A307 PolarHBondContact O-N 3.43Å; L305-A307 VanDerWaalsContact C-N 3.3Å; L305-A307 PolarHBondContact O-N 3.18Å
308	I	51.1	Low	45.3	Very low	126 Å²	126	120.8 Å²	120.8	65%	0.646	68%	0.681	S	S	*	*			trans	-117	-2.1	-168.4	-66.3	-179	0	0	0	113.3	V304	V304-I308 HydrophobicContact CG1-CD1 3.56Å; V304-I308 WeakPolarHBondContact O-CG1 3.39Å
309	Q	46.2	Very low	44.2	Very low	164 Å²	164	124 Å²	124	77%	0.766	70%	0.699	S	S	*	*	S	Bend	trans	-71.9	137.4	171.3	-79.9	-168.9	-17.7	0	0	112.1	I311	Q309-I311 PolarHBondContact O-N 2.87Å
310	P	46.6	Very low	42.9	Very low	118 Å²	118	122.9 Å²	122.9	77%	0.766	70%	0.697	S	S	*	*			trans	-87.9	116.4	-156.7	-8	27.6	0	0	0	112.8	L312	P310-L312 VanDerWaalsContact C-N 3.32Å; P310-L312 PolarHBondContact O-N 3.28Å; P310-L312 VanDerWaalsContact O-N 3.14Å
311	I	36.2	Very low	41.6	Very low	171 Å²	171	120.5 Å²	120.5	88%	0.877	69%	0.694	S	S	*	*			trans	-77.2	86.8	156.9	-57.3	171.9	0	0	0	107.1	Q309	Q309-I311 PolarHBondContact O-N 2.87Å
312	L	32.8	Very low	40.9	Very low	172 Å²	172	122.4 Å²	122.4	90%	0.901	71%	0.709	S	S	*	*			trans	-166.5	111.3	160.7	-110.1	169.1	0	0	0	111.9	P310	P310-L312 VanDerWaalsContact C-N 3.32Å; P310-L312 PolarHBondContact O-N 3.28Å; P310-L312 VanDerWaalsContact O-N 3.14Å
313	G	33.8	Very low	39.9	Very low	67 Å²	67	125.6 Å²	125.6	69%	0.691	72%	0.72	S	S	*	*			trans	150.3	114	167.3	0	0	0	0	0	112.2
314	T	37.3	Very low	38.9	Very low	140 Å²	140	127.6 Å²	127.6	86%	0.859	74%	0.736	S	S	*	*			cis	-155.2	130.1	-5.1	41.9	0	0	0	0	107.7
315	E	29.4	Very low	38.1	Very low	190 Å²	190	131.7 Å²	131.7	89%	0.888	76%	0.756	S	S	*	*			trans	-102	110.1	156.5	-71.9	-164.5	158.1	0	0	108
316	D	32.9	Very low	37.6	Very low	151 Å²	151	133.1 Å²	133.1	81%	0.807	77%	0.773	S	S	*	*			trans	-177.1	135.1	134.7	-102.5	-27.4	0	0	0	112.2
317	S	32.5	Very low	37.2	Very low	95 Å²	95	133 Å²	133	66%	0.664	78%	0.78	S	S	*	*			trans	55	103.1	159.1	-54.7	0	0	0	0	119.6
318	N	32.8	Very low	37	Very low	164 Å²	164	136.7 Å²	136.7	88%	0.877	79%	0.787	S	S	*	*				-176.1	136.2	101.9	-91.8	-36.8	0	0	0	114
319	N	30.7	Very low	36.8	Very low	156 Å²	156	135.5 Å²	135.5	83%	0.834	78%	0.781	S	S	*	*			trans	-69.4	154.7	159.6	-115.4	-28.9	0	0	0	109.7
320	T	30.4	Very low	36.8	Very low	123 Å²	123	130.8 Å²	130.8	76%	0.755	78%	0.776	S	S	*	*			trans	98.1	90	169.8	-36.9	0	0	0	0	117
321	T	31.2	Very low	37	Very low	118 Å²	118	128.9 Å²	128.9	72%	0.724	78%	0.778	S	S	*	*				45.4	106.4	123.9	-41.4	0	0	0	0	120.6
322	T	35.1	Very low	37.5	Very low	122 Å²	122	123.5 Å²	123.5	75%	0.748	75%	0.751	S	S	*	*				162.6	112.4	127.9	40.8	0	0	0	0	107.6
323	L	33.6	Very low	38.3	Very low	164 Å²	164	119 Å²	119	86%	0.859	73%	0.734	S	S	*	*				63.1	135.7	86.1	-74.3	173.2	0	0	0	114.7
324	A	34.9	Very low	39.4	Very low	90 Å²	90	122.1 Å²	122.1	74%	0.744	74%	0.739	S	S	*	*			trans	80.6	136.3	-171.7	0	0	0	0	0	115
325	D	37.3	Very low	40.4	Very low	154 Å²	154	121.3 Å²	121.3	82%	0.824	73%	0.734	S	S	*	*			cis	-153.9	170.3	-10.1	-126.5	-38.2	0	0	0	114.3
326	S	35.8	Very low	41.6	Very low	105 Å²	105	116.7 Å²	116.7	73%	0.734	72%	0.716	S	S	*	*			trans	-72.8	140.4	-172.8	-61.8	0	0	0	0	114.9
327	T	44.9	Very low	42.9	Very low	119 Å²	119	112.7 Å²	112.7	73%	0.73	69%	0.694	S	S	*	*			trans	-143.1	49.7	160.2	-38.2	0	0	0	0	113.8
328	I	51.5	Low	44.4	Very low	161 Å²	161	111.7 Å²	111.7	83%	0.826	68%	0.684	S	S	*	*	S	Bend	trans	-78.6	-8.2	166.8	-68	179.4	0	0	0	111.6
329	L	47.5	Very low	46.1	Very low	101 Å²	101	110.9 Å²	110.9	53%	0.529	68%	0.679	S	S	.	*			trans	-132.8	24.1	-168.1	-95.6	157.7	0	0	0	114.8	G331 L332	L329-G331 PolarHBondContact O-N 3.47Å; L329-L332 HydrophobicContact CD2-CB 3.95Å; L329-L332 HydrophobicContact CD2-CD1 3.85Å; L329-L332 HydrophobicContact CD2-CG 4.44Å; L329-L332 PolarHBondContact O-N 3.29Å
330	G	45	Very low	48.4	Very low	65 Å²	65	107 Å²	107	67%	0.67	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	101.6	175.3	0	0	0	0	0	112.1
331	G	51.1	Low	50.5	Low	78 Å²	78	105.7 Å²	105.7	80%	0.804	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	127.7	-5.3	175.5	0	0	0	0	0	116.7	L329	L329-G331 PolarHBondContact O-N 3.47Å
332	L	47.9	Very low	52.6	Low	59 Å²	59	103.1 Å²	103.1	31%	0.309	63%	0.627	S	S	.	*			trans	-114.2	109.4	-178.3	-69.2	173.8	0	0	0	112.3	L329 V334 I337 L342	L329-L332 HydrophobicContact CD2-CB 3.95Å; L329-L332 HydrophobicContact CD2-CD1 3.85Å; L329-L332 HydrophobicContact CD2-CG 4.44Å; L329-L332 PolarHBondContact O-N 3.29Å; L332-V334 PolarHBondContact O-N 2.91Å; L332-I337 HydrophobicContact CB-CD1 4.29Å; L332-L342 HydrophobicContact CD1-CD1 4.38Å
333	S	48.8	Very low	54.9	Low	76 Å²	76	103.5 Å²	103.5	53%	0.531	62%	0.618	S	S	.	*			trans	-59.9	128	172.5	-179.5	0	0	0	0	111.1	T335 D336 I337	S333-T335 PolarHBondContact O-N 3.44Å; S333-T335 PolarHBondContact OG-OG1 2.88Å; S333-D336 PolarHBondContact O-N 3.06Å; S333-I337 WeakPolarHBondContact O-CG1 3.35Å
334	V	57.3	Low	57.3	Low	134 Å²	134	100.1 Å²	100.1	81%	0.812	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	-16.1	-173.1	175.5	0	0	0	0	113.4	L332	L332-V334 PolarHBondContact O-N 2.91Å
335	T	57.6	Low	59.4	Low	122 Å²	122	98.2 Å²	98.2	75%	0.748	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-9.4	-179.1	53	0	0	0	0	115.1	S333	S333-T335 PolarHBondContact O-N 3.44Å; S333-T335 PolarHBondContact OG-OG1 2.88Å
336	D	55.9	Low	61.7	Low	94 Å²	94	96 Å²	96	50%	0.503	57%	0.566	S	S	.	*	S	Bend	trans	-121.7	5.1	-167	-92.1	-72.7	0	0	0	115.1	S333 T338 K341	S333-D336 PolarHBondContact O-N 3.06Å; D336-T338 PolarHBondContact O-N 3.47Å; D336-T338 VanDerWaalsContact O-N 3.08Å; D336-K341 VanDerWaalsContact O-CD 3.23Å; D336-K341 WeakPolarHBondContact O-CD 3.31Å; D336-K341 PolarHBondContact O-NZ 3.06Å; D336-K341 IonicContact OD1-NZ 3.41Å; D336-K341 PolarHBondContact OD1-NZ 3.06Å
337	I	58.6	Low	64.2	Low	67 Å²	67	95.3 Å²	95.3	34%	0.344	55%	0.551	S	S	.	*			trans	-83.1	86.3	-171	-48.9	179.1	0	0	0	110.9	L332 S333 L342	L332-I337 HydrophobicContact CB-CD1 4.29Å; S333-I337 WeakPolarHBondContact O-CG1 3.35Å; I337-L342 HydrophobicContact CG2-CB 4.17Å
338	T	64.4	Low	66.2	Low	74 Å²	74	94.1 Å²	94.1	45%	0.454	54%	0.537	S	S	.	.			trans	-77.8	144	161.7	52.4	0	0	0	0	110.1	D336 P340 K341 L342	D336-T338 PolarHBondContact O-N 3.47Å; D336-T338 VanDerWaalsContact O-N 3.08Å; T338-P340 VanDerWaalsContact C-CD 3.48Å; T338-P340 VanDerWaalsContact C-N 3.29Å; T338-K341 PolarHBondContact O-N 2.83Å; T338-K341 WeakPolarHBondContact OG1-CG 3.32Å; T338-L342 PolarHBondContact O-N 2.94Å
339	L	69.6	Low	67.9	Low	147 Å²	147	92.5 Å²	92.5	77%	0.77	52%	0.524	S	S	*	.	H	α-helix	trans	-46.6	-41.9	176.4	-169.9	67.6	0	0	0	114.1	L342 K343	L339-L342 PolarHBondContact O-N 3.36Å; L339-K343 PolarHBondContact O-N 3.33Å
340	P	77.4	Confident	70	Confident	74 Å²	74	94.6 Å²	94.6	48%	0.481	53%	0.526	S	S	.	.	H	α-helix	trans	-58.5	-49.6	170	19	-32.7	0	0	0	114	T338 L342 K343 D344	T338-P340 VanDerWaalsContact C-CD 3.48Å; T338-P340 VanDerWaalsContact C-N 3.29Å; P340-L342 PolarHBondContact O-N 3.35Å; P340-K343 CarbonylContact O-C 3.6Å; P340-K343 WeakPolarHBondContact O-CA 3.23Å; P340-K343 WeakPolarHBondContact O-CB 3.39Å; P340-K343 PolarHBondContact O-N 3.24Å; P340-D344 WeakPolarHBondContact O-CB 3.32Å; P340-D344 PolarHBondContact O-N 3.05Å
341	K	74.4	Confident	72.2	Confident	96 Å²	96	94.7 Å²	94.7	42%	0.417	51%	0.511	S	S	.	.	H	α-helix	trans	-58.3	-35.5	179.7	-75.7	177.6	-176.5	174.7	0	113.1	D336 T338 N345	D336-K341 VanDerWaalsContact O-CD 3.23Å; D336-K341 WeakPolarHBondContact O-CD 3.31Å; D336-K341 PolarHBondContact O-NZ 3.06Å; D336-K341 IonicContact OD1-NZ 3.41Å; D336-K341 PolarHBondContact OD1-NZ 3.06Å; T338-K341 PolarHBondContact O-N 2.83Å; T338-K341 WeakPolarHBondContact OG1-CG 3.32Å; K341-N345 WeakPolarHBondContact O-CB 3.43Å; K341-N345 PolarHBondContact O-N 3.12Å; K341-N345 PolarHBondContact O-ND2 3.19Å
342	L	75.4	Confident	74.1	Confident	63 Å²	63	96.5 Å²	96.5	33%	0.33	50%	0.497	S	S	.	.	H	α-helix	trans	-70.9	-41.8	175.3	-174.6	67.7	0	0	0	111.4	L332 I337 T338 L339 P340 N345 L346	L332-L342 HydrophobicContact CD1-CD1 4.38Å; I337-L342 HydrophobicContact CG2-CB 4.17Å; T338-L342 PolarHBondContact O-N 2.94Å; L339-L342 PolarHBondContact O-N 3.36Å; P340-L342 PolarHBondContact O-N 3.35Å; L342-N345 PolarHBondContact O-N 3.3Å; L342-L346 HydrophobicContact CG-CD1 4.22Å; L342-L346 WeakPolarHBondContact O-CB 3.42Å; L342-L346 WeakPolarHBondContact O-CG 3.5Å; L342-L346 PolarHBondContact O-N 3.08Å
343	K	84.5	Confident	76.1	Confident	130 Å²	130	99.3 Å²	99.3	57%	0.565	51%	0.512	S	S	*	.	H	α-helix	trans	-59.4	-47.2	172.5	-174.4	-166.9	173	-164.7	0	110.6	L339 P340 N345 L346 Q347	L339-K343 PolarHBondContact O-N 3.33Å; P340-K343 CarbonylContact O-C 3.6Å; P340-K343 WeakPolarHBondContact O-CA 3.23Å; P340-K343 WeakPolarHBondContact O-CB 3.39Å; P340-K343 PolarHBondContact O-N 3.24Å; K343-N345 PolarHBondContact O-N 3.37Å; K343-L346 CarbonylContact O-C 3.56Å; K343-L346 PolarHBondContact O-N 3.38Å; K343-Q347 VanDerWaalsContact O-CB 3.29Å; K343-Q347 WeakPolarHBondContact O-CB 3.49Å; K343-Q347 PolarHBondContact O-N 3.25Å
344	D	83.7	Confident	78.2	Confident	94 Å²	94	99.1 Å²	99.1	50%	0.503	51%	0.505	S	S	.	.	H	α-helix	trans	-64.7	-39.5	-178.5	-59.2	-25	0	0	0	111.1	P340 Q347 E348	P340-D344 WeakPolarHBondContact O-CB 3.32Å; P340-D344 PolarHBondContact O-N 3.05Å; D344-Q347 PolarHBondContact O-N 3.25Å; D344-E348 VanDerWaalsContact O-CB 3.32Å; D344-E348 WeakPolarHBondContact O-CB 3.23Å; D344-E348 PolarHBondContact O-N 2.72Å
345	N	79.1	Confident	79.8	Confident	50 Å²	50	98.5 Å²	98.5	27%	0.267	49%	0.493	S	S	.	.	H	α-helix	trans	-63.5	-40.8	171.7	-104.5	-97.6	0	0	0	113.2	K341 L342 K343 K349	K341-N345 WeakPolarHBondContact O-CB 3.43Å; K341-N345 PolarHBondContact O-N 3.12Å; K341-N345 PolarHBondContact O-ND2 3.19Å; L342-N345 PolarHBondContact O-N 3.3Å; K343-N345 PolarHBondContact O-N 3.37Å; N345-K349 WeakPolarHBondContact O-CB 3.3Å; N345-K349 WeakPolarHBondContact O-CG 3.38Å; N345-K349 PolarHBondContact O-N 2.91Å
346	L	84.7	Confident	81.4	Confident	107 Å²	107	95 Å²	95	56%	0.56	47%	0.474	S	S	*	.	H	α-helix	trans	-69.9	-36.5	176.5	-74	167.6	0	0	0	111.5	L342 K343 Y350	L342-L346 HydrophobicContact CG-CD1 4.22Å; L342-L346 WeakPolarHBondContact O-CB 3.42Å; L342-L346 WeakPolarHBondContact O-CG 3.5Å; L342-L346 PolarHBondContact O-N 3.08Å; K343-L346 CarbonylContact O-C 3.56Å; K343-L346 PolarHBondContact O-N 3.38Å; L346-Y350 VanDerWaalsContact O-CB 3.26Å; L346-Y350 WeakPolarHBondContact O-CB 3.27Å; L346-Y350 PolarHBondContact O-N 3.04Å
347	Q	89.7	Confident	83.1	Confident	91 Å²	91	94.3 Å²	94.3	43%	0.425	47%	0.47	S	S	.	.	H	α-helix	trans	-64.2	-48.9	173.9	-162.2	84.6	35.3	0	0	110.2	K343 D344 K349 Y350 D351	K343-Q347 VanDerWaalsContact O-CB 3.29Å; K343-Q347 WeakPolarHBondContact O-CB 3.49Å; K343-Q347 PolarHBondContact O-N 3.25Å; D344-Q347 PolarHBondContact O-N 3.25Å; Q347-K349 PolarHBondContact O-N 3.19Å; Q347-Y350 WeakPolarHBondContact O-CB 3.42Å; Q347-Y350 PolarHBondContact O-N 2.95Å; Q347-Y350 VanDerWaalsContact O-N 3.17Å; Q347-D351 WeakPolarHBondContact O-CB 3.44Å; Q347-D351 VanDerWaalsContact O-CG 3.25Å; Q347-D351 PolarHBondContact O-N 3.42Å
348	E	87.3	Confident	84.6	Confident	93 Å²	93	94.3 Å²	94.3	44%	0.435	47%	0.473	S	S	.	.	H	α-helix	trans	-61.3	-42.1	176.5	-170.2	-165.5	155.7	0	0	112	D344 D351 K352	D344-E348 VanDerWaalsContact O-CB 3.32Å; D344-E348 WeakPolarHBondContact O-CB 3.23Å; D344-E348 PolarHBondContact O-N 2.72Å; E348-D351 PolarHBondContact O-N 3.21Å; E348-K352 HydrophobicContact CG-CD 4.29Å; E348-K352 VanDerWaalsContact O-CB 3.32Å; E348-K352 WeakPolarHBondContact O-CB 3.45Å; E348-K352 VanDerWaalsContact O-CG 3.31Å; E348-K352 WeakPolarHBondContact O-CG 3.12Å; E348-K352 PolarHBondContact O-N 3.24Å; E348-K352 VanDerWaalsContact OE1-CE 3.25Å; E348-K352 WeakPolarHBondContact OE1-CE 3.46Å; E348-K352 IonicContact OE1-NZ 3.62Å; E348-K352 PolarHBondContact OE1-NZ 3.07Å
349	K	86.8	Confident	85.9	Confident	127 Å²	127	96.6 Å²	96.6	55%	0.552	48%	0.48	S	S	*	.	H	α-helix	trans	-65.5	-39.3	174.2	-76.7	-177.8	179.8	-174.9	0	112.2	N345 Q347 L353	N345-K349 WeakPolarHBondContact O-CB 3.3Å; N345-K349 WeakPolarHBondContact O-CG 3.38Å; N345-K349 PolarHBondContact O-N 2.91Å; Q347-K349 PolarHBondContact O-N 3.19Å; K349-L353 VanDerWaalsContact O-CB 3.27Å; K349-L353 WeakPolarHBondContact O-CB 3.46Å; K349-L353 PolarHBondContact O-N 3.34Å
350	Y	91.2	Very high	87	Confident	145 Å²	145	94.6 Å²	94.6	57%	0.569	47%	0.466	S	S	*	.	H	α-helix	trans	-64.5	-44.9	174.5	177.3	-91.3	0	0	0	111.4	L346 Q347 L353 N354	L346-Y350 VanDerWaalsContact O-CB 3.26Å; L346-Y350 WeakPolarHBondContact O-CB 3.27Å; L346-Y350 PolarHBondContact O-N 3.04Å; Q347-Y350 WeakPolarHBondContact O-CB 3.42Å; Q347-Y350 PolarHBondContact O-N 2.95Å; Q347-Y350 VanDerWaalsContact O-N 3.17Å; Y350-L353 PolarHBondContact O-N 3.45Å; Y350-N354 VanDerWaalsContact O-CB 3.29Å; Y350-N354 WeakPolarHBondContact O-CB 3.4Å; Y350-N354 PolarHBondContact O-N 3.35Å
351	D	91.1	Very high	87.7	Confident	67 Å²	67	96.7 Å²	96.7	36%	0.358	47%	0.468	S	S	.	.	H	α-helix	trans	-67.2	-41.4	179.4	-68.7	-26.3	0	0	0	111.3	Q347 E348 N354 Q355	Q347-D351 WeakPolarHBondContact O-CB 3.44Å; Q347-D351 VanDerWaalsContact O-CG 3.25Å; Q347-D351 PolarHBondContact O-N 3.42Å; E348-D351 PolarHBondContact O-N 3.21Å; D351-N354 PolarHBondContact O-N 2.6Å; D351-Q355 WeakPolarHBondContact O-CB 3.23Å; D351-Q355 VanDerWaalsContact O-CG 3.23Å; D351-Q355 WeakPolarHBondContact O-CG 3.29Å; D351-Q355 PolarHBondContact O-N 3.38Å
352	K	90.4	Very high	88.6	Confident	116 Å²	116	96 Å²	96	50%	0.504	47%	0.472	S	S	.	.	H	α-helix	trans	-61.1	-44.3	171.4	-78.6	173.5	172.3	172.9	0	112.4	E348 Q355 S356	E348-K352 HydrophobicContact CG-CD 4.29Å; E348-K352 VanDerWaalsContact O-CB 3.32Å; E348-K352 WeakPolarHBondContact O-CB 3.45Å; E348-K352 VanDerWaalsContact O-CG 3.31Å; E348-K352 WeakPolarHBondContact O-CG 3.12Å; E348-K352 PolarHBondContact O-N 3.24Å; E348-K352 VanDerWaalsContact OE1-CE 3.25Å; E348-K352 WeakPolarHBondContact OE1-CE 3.46Å; E348-K352 IonicContact OE1-NZ 3.62Å; E348-K352 PolarHBondContact OE1-NZ 3.07Å; K352-Q355 PolarHBondContact O-N 2.89Å; K352-S356 WeakPolarHBondContact O-CB 3.32Å; K352-S356 PolarHBondContact O-N 3.41Å
353	L	90.8	Very high	89.4	Confident	118 Å²	118	95.5 Å²	95.5	62%	0.618	47%	0.474	S	S	*	.	H	α-helix	trans	-66.2	-39.4	177.4	-178.2	62.1	0	0	0	111.5	K349 Y350 S356 L357	K349-L353 VanDerWaalsContact O-CB 3.27Å; K349-L353 WeakPolarHBondContact O-CB 3.46Å; K349-L353 PolarHBondContact O-N 3.34Å; Y350-L353 PolarHBondContact O-N 3.45Å; L353-S356 PolarHBondContact O-N 3.2Å; L353-L357 VanDerWaalsContact O-CB 3.31Å; L353-L357 WeakPolarHBondContact O-CB 3.49Å; L353-L357 PolarHBondContact O-N 3.33Å
354	N	92.1	Very high	89.7	Confident	73 Å²	73	93.2 Å²	93.2	39%	0.39	47%	0.467	S	S	.	.	H	α-helix	trans	-69.6	-39.2	176.9	-169.2	48.7	0	0	0	111.6	Y350 D351 L357 T358	Y350-N354 VanDerWaalsContact O-CB 3.29Å; Y350-N354 WeakPolarHBondContact O-CB 3.4Å; Y350-N354 PolarHBondContact O-N 3.35Å; D351-N354 PolarHBondContact O-N 2.6Å; N354-L357 PolarHBondContact O-N 3.29Å; N354-T358 WeakPolarHBondContact O-CG2 3.39Å; N354-T358 PolarHBondContact O-N 3.05Å; N354-T358 PolarHBondContact O-OG1 3.44Å
355	Q	90.9	Very high	90.1	Very high	120 Å²	120	93 Å²	93	56%	0.561	46%	0.463	S	S	*	.	H	α-helix	trans	-60.2	-50.2	171	-76.1	172.2	22	0	0	111.2	D351 K352 L357 T358 M359	D351-Q355 WeakPolarHBondContact O-CB 3.23Å; D351-Q355 VanDerWaalsContact O-CG 3.23Å; D351-Q355 WeakPolarHBondContact O-CG 3.29Å; D351-Q355 PolarHBondContact O-N 3.38Å; K352-Q355 PolarHBondContact O-N 2.89Å; Q355-L357 VanDerWaalsContact C-N 3.33Å; Q355-L357 PolarHBondContact O-N 2.97Å; Q355-T358 WeakPolarHBondContact CA-OG1 3.24Å; Q355-T358 PolarHBondContact O-N 3.19Å; Q355-T358 VanDerWaalsContact O-N 3.11Å; Q355-T358 PolarHBondContact O-OG1 2.77Å; Q355-M359 WeakPolarHBondContact O-CG 3.27Å; Q355-M359 PolarHBondContact O-N 3.47Å
356	S	90.5	Very high	90.8	Very high	50 Å²	50	94.8 Å²	94.8	35%	0.35	47%	0.47	S	S	.	.	H	α-helix	trans	-55.7	-46.2	173.9	170	0	0	0	0	111.4	K352 L353 T358 M359 H360	K352-S356 WeakPolarHBondContact O-CB 3.32Å; K352-S356 PolarHBondContact O-N 3.41Å; L353-S356 PolarHBondContact O-N 3.2Å; S356-T358 VanDerWaalsContact C-N 3.34Å; S356-T358 PolarHBondContact O-N 3.37Å; S356-M359 PolarHBondContact O-N 3.21Å; S356-H360 PolarHBondContact O-CD2 3.09Å; S356-H360 PolarHBondContact O-N 3.11Å; S356-H360 PolarHBondContact OG-CD2 3.31Å
357	L	91.9	Very high	91.1	Very high	79 Å²	79	91.6 Å²	91.6	41%	0.414	46%	0.459	S	S	.	.	H	α-helix	trans	-60.8	-39.4	175.8	-177.9	64.7	0	0	0	112.5	L353 N354 Q355 K361	L353-L357 VanDerWaalsContact O-CB 3.31Å; L353-L357 WeakPolarHBondContact O-CB 3.49Å; L353-L357 PolarHBondContact O-N 3.33Å; N354-L357 PolarHBondContact O-N 3.29Å; Q355-L357 VanDerWaalsContact C-N 3.33Å; Q355-L357 PolarHBondContact O-N 2.97Å; L357-K361 HydrophobicContact CD1-CD 4.44Å; L357-K361 HydrophobicContact CG-CD 4.23Å; L357-K361 VanDerWaalsContact O-CB 3.3Å; L357-K361 WeakPolarHBondContact O-CB 3.17Å; L357-K361 WeakPolarHBondContact O-CD 3.43Å; L357-K361 WeakPolarHBondContact O-CG 3.42Å; L357-K361 PolarHBondContact O-N 2.93Å
358	T	91.3	Very high	91.3	Very high	67 Å²	67	92.3 Å²	92.3	41%	0.411	46%	0.46	S	S	.	.	H	α-helix	trans	-69.8	-35.9	174.7	51.7	0	0	0	0	112.7	N354 Q355 S356 T362	N354-T358 WeakPolarHBondContact O-CG2 3.39Å; N354-T358 PolarHBondContact O-N 3.05Å; N354-T358 PolarHBondContact O-OG1 3.44Å; Q355-T358 WeakPolarHBondContact CA-OG1 3.24Å; Q355-T358 PolarHBondContact O-N 3.19Å; Q355-T358 VanDerWaalsContact O-N 3.11Å; Q355-T358 PolarHBondContact O-OG1 2.77Å; S356-T358 VanDerWaalsContact C-N 3.34Å; S356-T358 PolarHBondContact O-N 3.37Å; T358-T362 WeakPolarHBondContact O-CB 3.42Å; T358-T362 PolarHBondContact O-N 2.89Å; T358-T362 PolarHBondContact O-OG1 2.58Å
359	M	91.8	Very high	91.6	Very high	122 Å²	122	93 Å²	93	60%	0.601	46%	0.459	S	S	*	.	H	α-helix	trans	-65.8	-54	174.5	-70.6	-59.2	-63.2	0	0	110.8	Q355 S356 K361 T362 S363	Q355-M359 WeakPolarHBondContact O-CG 3.27Å; Q355-M359 PolarHBondContact O-N 3.47Å; S356-M359 PolarHBondContact O-N 3.21Å; M359-K361 VanDerWaalsContact C-N 3.31Å; M359-K361 PolarHBondContact O-N 3.46Å; M359-T362 WeakPolarHBondContact O-CA 3.22Å; M359-T362 WeakPolarHBondContact O-CB 3.3Å; M359-T362 PolarHBondContact O-N 3.09Å; M359-S363 PolarHBondContact O-N 3.23Å; M359-S363 PolarHBondContact O-OG 3.22Å
360	H	91.1	Very high	91.9	Very high	104 Å²	104	89.7 Å²	89.7	48%	0.481	45%	0.448	S	S	.	.	H	α-helix	trans	-59.5	-38.6	177.2	-74.2	-71.7	0	0	0	112.6	E306 S356 T362 S363 L364	E306-H360 IonicContact OE1-ND1 2.91Å; S356-H360 PolarHBondContact O-CD2 3.09Å; S356-H360 PolarHBondContact O-N 3.11Å; S356-H360 PolarHBondContact OG-CD2 3.31Å; H360-T362 VanDerWaalsContact C-N 3.31Å; H360-T362 PolarHBondContact O-N 3.47Å; H360-S363 PolarHBondContact O-N 3.25Å; H360-L364 WeakPolarHBondContact O-CB 3.4Å; H360-L364 PolarHBondContact O-N 2.97Å
361	K	93.8	Very high	91.9	Very high	119 Å²	119	87.8 Å²	87.8	52%	0.517	45%	0.447	S	S	.	.	H	α-helix	trans	-60.4	-40.8	171.7	-79.2	171.9	179.3	173.4	0	112.2	L357 M359 E365	L357-K361 HydrophobicContact CD1-CD 4.44Å; L357-K361 HydrophobicContact CG-CD 4.23Å; L357-K361 VanDerWaalsContact O-CB 3.3Å; L357-K361 WeakPolarHBondContact O-CB 3.17Å; L357-K361 WeakPolarHBondContact O-CD 3.43Å; L357-K361 WeakPolarHBondContact O-CG 3.42Å; L357-K361 PolarHBondContact O-N 2.93Å; M359-K361 VanDerWaalsContact C-N 3.31Å; M359-K361 PolarHBondContact O-N 3.46Å; K361-E365 WeakPolarHBondContact O-CG 3.44Å; K361-E365 PolarHBondContact O-N 2.92Å
362	T	92.4	Very high	91.9	Very high	80 Å²	80	89.1 Å²	89.1	49%	0.491	45%	0.451	S	S	.	.	H	α-helix	trans	-69.2	-46	179.5	-54.7	0	0	0	0	111.3	T358 M359 H360 L364 E365 E366	T358-T362 WeakPolarHBondContact O-CB 3.42Å; T358-T362 PolarHBondContact O-N 2.89Å; T358-T362 PolarHBondContact O-OG1 2.58Å; M359-T362 WeakPolarHBondContact O-CA 3.22Å; M359-T362 WeakPolarHBondContact O-CB 3.3Å; M359-T362 PolarHBondContact O-N 3.09Å; H360-T362 VanDerWaalsContact C-N 3.31Å; H360-T362 PolarHBondContact O-N 3.47Å; T362-L364 VanDerWaalsContact C-N 3.33Å; T362-L364 PolarHBondContact O-N 3.26Å; T362-E365 PolarHBondContact O-N 3.45Å; T362-E366 PolarHBondContact O-N 2.98Å
363	S	92.1	Very high	92	Very high	54 Å²	54	90.6 Å²	90.6	38%	0.378	45%	0.453	S	S	.	.	H	α-helix	trans	-61.5	-38.2	174.7	-55.7	0	0	0	0	112.5	M359 H360 E366 A367	M359-S363 PolarHBondContact O-N 3.23Å; M359-S363 PolarHBondContact O-OG 3.22Å; H360-S363 PolarHBondContact O-N 3.25Å; S363-E366 WeakPolarHBondContact O-CB 3.45Å; S363-E366 PolarHBondContact O-N 2.91Å; S363-A367 WeakPolarHBondContact O-CB 3.23Å; S363-A367 PolarHBondContact O-N 3.35Å
364	L	91.3	Very high	92.1	Very high	81 Å²	81	86.5 Å²	86.5	42%	0.424	44%	0.439	S	S	.	.	H	α-helix	trans	-68.8	-38.4	176.6	178.4	145.4	0	0	0	112	H360 T362 E366 K368	H360-L364 WeakPolarHBondContact O-CB 3.4Å; H360-L364 PolarHBondContact O-N 2.97Å; T362-L364 VanDerWaalsContact C-N 3.33Å; T362-L364 PolarHBondContact O-N 3.26Å; L364-E366 VanDerWaalsContact C-N 3.28Å; L364-K368 HydrophobicContact CD2-CD 4.09Å; L364-K368 VanDerWaalsContact CD2-CE 3.4Å; L364-K368 WeakPolarHBondContact O-CB 3.43Å; L364-K368 VanDerWaalsContact O-CG 3.23Å; L364-K368 WeakPolarHBondContact O-CG 3.31Å; L364-K368 PolarHBondContact O-N 2.86Å
365	E	92.6	Very high	92.1	Very high	91 Å²	91	88.1 Å²	88.1	43%	0.425	44%	0.443	S	S	.	.	H	α-helix	trans	-70.8	-22.7	170.7	-68.2	-53.9	133.9	0	0	112.9	K361 T362 K368 R369	K361-E365 WeakPolarHBondContact O-CG 3.44Å; K361-E365 PolarHBondContact O-N 2.92Å; T362-E365 PolarHBondContact O-N 3.45Å; E365-K368 IonicContact OE1-NZ 3.09Å; E365-K368 PolarHBondContact OE1-NZ 3.16Å; E365-K368 IonicContact OE2-NZ 3.08Å; E365-R369 WeakPolarHBondContact O-CG 3.28Å; E365-R369 PolarHBondContact O-N 3.03Å; E365-R369 PolarHBondContact O-NE 2.92Å
366	E	92.8	Very high	92.2	Very high	87 Å²	87	87.6 Å²	87.6	41%	0.407	44%	0.442	S	S	.	.	H	α-helix	trans	-75.1	-52.6	171.7	-174.4	134.6	-100.9	0	0	112.5	T362 S363 L364 K368 R369 D370	T362-E366 PolarHBondContact O-N 2.98Å; S363-E366 WeakPolarHBondContact O-CB 3.45Å; S363-E366 PolarHBondContact O-N 2.91Å; L364-E366 VanDerWaalsContact C-N 3.28Å; E366-K368 PolarHBondContact O-N 3.08Å; E366-R369 VanDerWaalsContact CA-CZ 3.44Å; E366-R369 VanDerWaalsContact CA-NH2 3.32Å; E366-R369 WeakPolarHBondContact O-CA 3.25Å; E366-R369 WeakPolarHBondContact O-CB 3.47Å; E366-R369 PolarHBondContact O-N 3.32Å; E366-R369 IonicContact OE1-CZ 2.7Å; E366-R369 IonicContact OE1-NH1 3.46Å; E366-R369 PolarHBondContact OE1-NH1 3.43Å; E366-R369 IonicContact OE1-NH2 3.71Å; E366-D370 PolarHBondContact O-N 3.36Å
367	A	91.7	Very high	92.3	Very high	39 Å²	39	89.8 Å²	89.8	32%	0.322	45%	0.454	S	S	.	.	H	α-helix	trans	-56.9	-37.2	174.9	0	0	0	0	0	111.8	S363 L371	S363-A367 WeakPolarHBondContact O-CB 3.23Å; S363-A367 PolarHBondContact O-N 3.35Å; A367-L371 WeakPolarHBondContact O-CB 3.25Å; A367-L371 PolarHBondContact O-N 3.18Å
368	K	93.9	Very high	92.2	Very high	106 Å²	106	90.4 Å²	90.4	46%	0.461	46%	0.456	S	S	.	.	H	α-helix	trans	-61.4	-46	170.2	-79	172.6	-178.4	174.4	0	113	L364 E365 E366 L371 E372	L364-K368 HydrophobicContact CD2-CD 4.09Å; L364-K368 VanDerWaalsContact CD2-CE 3.4Å; L364-K368 WeakPolarHBondContact O-CB 3.43Å; L364-K368 VanDerWaalsContact O-CG 3.23Å; L364-K368 WeakPolarHBondContact O-CG 3.31Å; L364-K368 PolarHBondContact O-N 2.86Å; E365-K368 IonicContact OE1-NZ 3.09Å; E365-K368 PolarHBondContact OE1-NZ 3.16Å; E365-K368 IonicContact OE2-NZ 3.08Å; E366-K368 PolarHBondContact O-N 3.08Å; K368-L371 PolarHBondContact O-N 3.5Å; K368-E372 WeakPolarHBondContact O-CB 3.23Å; K368-E372 PolarHBondContact O-N 2.67Å
369	R	92.9	Very high	92.1	Very high	107 Å²	107	89.9 Å²	89.9	40%	0.404	46%	0.459	S	S	.	.	H	α-helix	trans	-62.2	-42.2	178.4	-82.2	177	-81.5	118.4	-12.1	111.5	E365 E366 E372 R373	E365-R369 WeakPolarHBondContact O-CG 3.28Å; E365-R369 PolarHBondContact O-N 3.03Å; E365-R369 PolarHBondContact O-NE 2.92Å; E366-R369 VanDerWaalsContact CA-CZ 3.44Å; E366-R369 VanDerWaalsContact CA-NH2 3.32Å; E366-R369 WeakPolarHBondContact O-CA 3.25Å; E366-R369 WeakPolarHBondContact O-CB 3.47Å; E366-R369 PolarHBondContact O-N 3.32Å; E366-R369 IonicContact OE1-CZ 2.7Å; E366-R369 IonicContact OE1-NH1 3.46Å; E366-R369 PolarHBondContact OE1-NH1 3.43Å; E366-R369 IonicContact OE1-NH2 3.71Å; R369-E372 PolarHBondContact O-N 3.45Å; R369-R373 WeakPolarHBondContact O-CG 3.39Å; R369-R373 PolarHBondContact O-N 3.25Å
370	D	92.4	Very high	92.1	Very high	59 Å²	59	87.3 Å²	87.3	32%	0.316	45%	0.447	S	S	.	.	H	α-helix	trans	-74.5	-35.5	179.7	-71.9	-23.5	0	0	0	113	E366 E372 R373 G374	E366-D370 PolarHBondContact O-N 3.36Å; D370-E372 VanDerWaalsContact C-N 3.29Å; D370-E372 PolarHBondContact O-N 2.85Å; D370-R373 PolarHBondContact O-N 3.47Å; D370-R373 VanDerWaalsContact OD1-CD 3.3Å; D370-R373 WeakPolarHBondContact OD1-CD 3.46Å; D370-R373 IonicContact OD1-CZ 3.43Å; D370-R373 IonicContact OD1-NE 2.78Å; D370-R373 IonicContact OD1-NH1 3.53Å; D370-R373 PolarHBondContact OD1-NH1 3.01Å; D370-G374 PolarHBondContact O-N 2.89Å
371	L	91.5	Very high	92	Very high	105 Å²	105	84.8 Å²	84.8	55%	0.55	45%	0.445	S	S	.	.	H	α-helix	trans	-61.6	-38.1	169.7	-178	150.3	0	0	0	111.5	A367 K368 K375	A367-L371 WeakPolarHBondContact O-CB 3.25Å; A367-L371 PolarHBondContact O-N 3.18Å; K368-L371 PolarHBondContact O-N 3.5Å; L371-K375 HydrophobicContact CD2-CD 4.25Å; L371-K375 WeakPolarHBondContact O-CG 3.5Å; L371-K375 PolarHBondContact O-N 3.01Å
372	E	92.2	Very high	91.8	Very high	94 Å²	94	87.9 Å²	87.9	44%	0.439	45%	0.453	S	S	.	.	H	α-helix	trans	-72	-40.6	175.7	-156.9	60.8	-151.3	0	0	112.4	K368 R369 D370 G374 K375 I376	K368-E372 WeakPolarHBondContact O-CB 3.23Å; K368-E372 PolarHBondContact O-N 2.67Å; R369-E372 PolarHBondContact O-N 3.45Å; D370-E372 VanDerWaalsContact C-N 3.29Å; D370-E372 PolarHBondContact O-N 2.85Å; E372-G374 VanDerWaalsContact C-N 3.34Å; E372-G374 PolarHBondContact O-N 2.96Å; E372-K375 PolarHBondContact O-N 2.89Å; E372-K375 WeakPolarHBondContact OE2-CD 3.4Å; E372-K375 IonicContact OE2-NZ 3.56Å; E372-K375 PolarHBondContact OE2-NZ 3.34Å; E372-I376 WeakPolarHBondContact O-CG1 3.43Å; E372-I376 PolarHBondContact O-N 3.14Å
373	R	92	Very high	91.6	Very high	148 Å²	148	91 Å²	91	56%	0.558	46%	0.462	S	S	*	.	H	α-helix	trans	-57.5	-46	169.8	-73.3	162.7	169.8	173.8	-6.2	111.5	R369 D370 K375 I376 V377	R369-R373 WeakPolarHBondContact O-CG 3.39Å; R369-R373 PolarHBondContact O-N 3.25Å; D370-R373 PolarHBondContact O-N 3.47Å; D370-R373 VanDerWaalsContact OD1-CD 3.3Å; D370-R373 WeakPolarHBondContact OD1-CD 3.46Å; D370-R373 IonicContact OD1-CZ 3.43Å; D370-R373 IonicContact OD1-NE 2.78Å; D370-R373 IonicContact OD1-NH1 3.53Å; D370-R373 PolarHBondContact OD1-NH1 3.01Å; R373-K375 PolarHBondContact O-N 3.2Å; R373-I376 PolarHBondContact O-N 3.16Å; R373-I376 VanDerWaalsContact O-N 3.16Å; R373-V377 WeakPolarHBondContact O-CG2 3.43Å; R373-V377 PolarHBondContact O-N 2.98Å
374	G	92.2	Very high	91.5	Very high	31 Å²	31	93.1 Å²	93.1	32%	0.32	47%	0.465	S	S	.	.	H	α-helix	trans	-60.8	-42.2	178	0	0	0	0	0	112.6	D370 E372 I376 V377 I378	D370-G374 PolarHBondContact O-N 2.89Å; E372-G374 VanDerWaalsContact C-N 3.34Å; E372-G374 PolarHBondContact O-N 2.96Å; G374-I376 PolarHBondContact O-N 3.46Å; G374-V377 PolarHBondContact O-N 3.16Å; G374-I378 WeakPolarHBondContact O-CB 3.46Å; G374-I378 VanDerWaalsContact O-CG1 3.25Å; G374-I378 WeakPolarHBondContact O-CG1 3.41Å; G374-I378 PolarHBondContact O-N 3.39Å
375	K	92.8	Very high	91.3	Very high	107 Å²	107	92.5 Å²	92.5	47%	0.465	46%	0.461	S	S	.	.	H	α-helix	trans	-59.3	-44.4	171.6	-74.1	172	-172.2	159.6	0	112.3	L371 E372 R373 I378 A379	L371-K375 HydrophobicContact CD2-CD 4.25Å; L371-K375 WeakPolarHBondContact O-CG 3.5Å; L371-K375 PolarHBondContact O-N 3.01Å; E372-K375 PolarHBondContact O-N 2.89Å; E372-K375 WeakPolarHBondContact OE2-CD 3.4Å; E372-K375 IonicContact OE2-NZ 3.56Å; E372-K375 PolarHBondContact OE2-NZ 3.34Å; R373-K375 PolarHBondContact O-N 3.2Å; K375-I378 PolarHBondContact O-N 3.47Å; K375-A379 WeakPolarHBondContact O-CB 3.44Å; K375-A379 PolarHBondContact O-N 3.5Å
376	I	92.6	Very high	91.1	Very high	109 Å²	109	90.4 Å²	90.4	56%	0.559	46%	0.456	S	S	*	.	H	α-helix	trans	-62.1	-45.6	179.4	-67.5	163	0	0	0	110.4	E372 R373 G374 A379 D380	E372-I376 WeakPolarHBondContact O-CG1 3.43Å; E372-I376 PolarHBondContact O-N 3.14Å; R373-I376 PolarHBondContact O-N 3.16Å; R373-I376 VanDerWaalsContact O-N 3.16Å; G374-I376 PolarHBondContact O-N 3.46Å; I376-A379 PolarHBondContact O-N 2.75Å; I376-D380 WeakPolarHBondContact O-CB 3.46Å; I376-D380 PolarHBondContact O-N 3.05Å
377	V	92	Very high	90.8	Very high	96 Å²	96	90.7 Å²	90.7	58%	0.582	46%	0.46	S	S	*	.	H	α-helix	trans	-64.8	-40.8	177.1	175.1	0	0	0	0	111.7	R373 G374 A379 D380 A381	R373-V377 WeakPolarHBondContact O-CG2 3.43Å; R373-V377 PolarHBondContact O-N 2.98Å; G374-V377 PolarHBondContact O-N 3.16Å; V377-A379 VanDerWaalsContact C-N 3.33Å; V377-A379 PolarHBondContact O-N 2.91Å; V377-D380 PolarHBondContact O-N 2.9Å; V377-A381 VanDerWaalsContact O-CB 3.23Å; V377-A381 WeakPolarHBondContact O-CB 3.29Å; V377-A381 PolarHBondContact O-N 3.25Å
378	I	90.8	Very high	90.6	Very high	92 Å²	92	93.6 Å²	93.6	47%	0.472	47%	0.47	S	S	.	.	H	α-helix	trans	-65.5	-36.3	175.4	-69.9	166.3	0	0	0	111.3	G374 K375 R382	G374-I378 WeakPolarHBondContact O-CB 3.46Å; G374-I378 VanDerWaalsContact O-CG1 3.25Å; G374-I378 WeakPolarHBondContact O-CG1 3.41Å; G374-I378 PolarHBondContact O-N 3.39Å; K375-I378 PolarHBondContact O-N 3.47Å; I378-R382 WeakPolarHBondContact O-CB 3.16Å; I378-R382 WeakPolarHBondContact O-CD 3.41Å; I378-R382 WeakPolarHBondContact O-CG 3.41Å; I378-R382 PolarHBondContact O-N 2.55Å
379	A	90.2	Very high	90.3	Very high	56 Å²	56	89 Å²	89	46%	0.463	45%	0.452	S	S	.	.	H	α-helix	trans	-66.8	-50.1	175.5	0	0	0	0	0	111.5	K375 I376 V377 A381 R382 E383	K375-A379 WeakPolarHBondContact O-CB 3.44Å; K375-A379 PolarHBondContact O-N 3.5Å; I376-A379 PolarHBondContact O-N 2.75Å; V377-A379 VanDerWaalsContact C-N 3.33Å; V377-A379 PolarHBondContact O-N 2.91Å; A379-A381 PolarHBondContact O-N 2.97Å; A379-R382 PolarHBondContact O-N 3.32Å; A379-R382 VanDerWaalsContact O-N 3.17Å; A379-E383 WeakPolarHBondContact O-CB 3.16Å; A379-E383 PolarHBondContact O-N 3.45Å
380	D	91.1	Very high	90	Very high	68 Å²	68	89.7 Å²	89.7	36%	0.364	46%	0.458	S	S	.	.	H	α-helix	trans	-59.9	-41.5	176.4	175.2	73.9	0	0	0	112.2	I376 V377 E383 K384	I376-D380 WeakPolarHBondContact O-CB 3.46Å; I376-D380 PolarHBondContact O-N 3.05Å; V377-D380 PolarHBondContact O-N 2.9Å; D380-E383 PolarHBondContact O-N 3.02Å; D380-K384 WeakPolarHBondContact O-CB 3.41Å; D380-K384 WeakPolarHBondContact O-CG 3.32Å; D380-K384 PolarHBondContact O-N 3.27Å; D380-K384 WeakPolarHBondContact OD1-CE 3.36Å; D380-K384 IonicContact OD1-NZ 3.59Å; D380-K384 PolarHBondContact OD1-NZ 3.22Å; D380-K384 IonicContact OD2-NZ 3.51Å; D380-K384 PolarHBondContact OD2-NZ 3.4Å
381	A	88.6	Confident	89.7	Confident	52 Å²	52	90 Å²	90	43%	0.43	46%	0.457	S	S	.	.	H	α-helix	trans	-65.1	-40.2	174.6	0	0	0	0	0	112.3	V377 A379 K384 L385	V377-A381 VanDerWaalsContact O-CB 3.23Å; V377-A381 WeakPolarHBondContact O-CB 3.29Å; V377-A381 PolarHBondContact O-N 3.25Å; A379-A381 PolarHBondContact O-N 2.97Å; A381-K384 PolarHBondContact O-N 3.4Å; A381-L385 WeakPolarHBondContact O-CB 3.36Å; A381-L385 PolarHBondContact O-N 3.02Å
382	R	89.7	Confident	89.5	Confident	184 Å²	184	87.5 Å²	87.5	69%	0.694	44%	0.442	S	S	*	.	H	α-helix	trans	-68.8	-33.3	175.3	-76.1	172.4	179.2	-172.3	0.3	112.7	I378 A379 P386	I378-R382 WeakPolarHBondContact O-CB 3.16Å; I378-R382 WeakPolarHBondContact O-CD 3.41Å; I378-R382 WeakPolarHBondContact O-CG 3.41Å; I378-R382 PolarHBondContact O-N 2.55Å; A379-R382 PolarHBondContact O-N 3.32Å; A379-R382 VanDerWaalsContact O-N 3.17Å; R382-P386 WeakPolarHBondContact O-CD 3.41Å
383	E	88.4	Confident	89.3	Confident	144 Å²	144	87.6 Å²	87.6	67%	0.673	44%	0.444	S	S	*	.	H	α-helix	trans	-68.4	-38.7	174.1	-173	177.9	165.8	0	0	111.6	A379 D380 P386	A379-E383 WeakPolarHBondContact O-CB 3.16Å; A379-E383 PolarHBondContact O-N 3.45Å; D380-E383 PolarHBondContact O-N 3.02Å; E383-P386 WeakPolarHBondContact O-CD 3.17Å; E383-P386 WeakPolarHBondContact O-CG 3.23Å
384	K	89.3	Confident	89	Confident	99 Å²	99	80.9 Å²	80.9	43%	0.43	42%	0.418	S	S	.	.	H	α-helix	trans	-78.6	-30.4	177.9	-71.6	168	-176.8	163.8	0	114	D380 A381 N387 L388	D380-K384 WeakPolarHBondContact O-CB 3.41Å; D380-K384 WeakPolarHBondContact O-CG 3.32Å; D380-K384 PolarHBondContact O-N 3.27Å; D380-K384 WeakPolarHBondContact OD1-CE 3.36Å; D380-K384 IonicContact OD1-NZ 3.59Å; D380-K384 PolarHBondContact OD1-NZ 3.22Å; D380-K384 IonicContact OD2-NZ 3.51Å; D380-K384 PolarHBondContact OD2-NZ 3.4Å; A381-K384 PolarHBondContact O-N 3.4Å; K384-N387 PolarHBondContact O-N 3.31Å; K384-L388 HydrophobicContact CB-CD1 4.24Å; K384-L388 PolarHBondContact O-N 3.04Å
385	L	88.2	Confident	88.9	Confident	68 Å²	68	83 Å²	83	36%	0.356	42%	0.417	S	S	.	.	H	α-helix	trans	-47	-50.2	-178.7	-176.5	64.9	0	0	0	114.4	A381 N387 L388 A389	A381-L385 WeakPolarHBondContact O-CB 3.36Å; A381-L385 PolarHBondContact O-N 3.02Å; L385-N387 VanDerWaalsContact C-N 3.28Å; L385-N387 PolarHBondContact O-N 3.35Å; L385-L388 PolarHBondContact O-N 3.01Å; L385-A389 WeakPolarHBondContact O-CB 3.35Å; L385-A389 PolarHBondContact O-N 2.96Å
386	P	89.1	Confident	88.8	Confident	47 Å²	47	80.2 Å²	80.2	31%	0.305	41%	0.406	S	S	.	.	H	α-helix	trans	-67.3	-23.7	179.2	26.7	-36.6	0	0	0	114.1	R382 E383 K390	R382-P386 WeakPolarHBondContact O-CD 3.41Å; E383-P386 WeakPolarHBondContact O-CD 3.17Å; E383-P386 WeakPolarHBondContact O-CG 3.23Å; P386-K390 VanDerWaalsContact O-CG 3.31Å; P386-K390 WeakPolarHBondContact O-CG 3.5Å; P386-K390 PolarHBondContact O-N 3.32Å
387	N	85.8	Confident	88.7	Confident	94 Å²	94	79.4 Å²	79.4	50%	0.503	40%	0.399	S	S	.	.	H	α-helix	trans	-80.6	-43.4	175.7	-67.7	-30.2	0	0	0	111	K384 L385 A389 K390 Q391	K384-N387 PolarHBondContact O-N 3.31Å; L385-N387 VanDerWaalsContact C-N 3.28Å; L385-N387 PolarHBondContact O-N 3.35Å; N387-A389 VanDerWaalsContact C-N 3.31Å; N387-A389 PolarHBondContact O-N 3.34Å; N387-K390 PolarHBondContact O-N 3.34Å; N387-Q391 WeakPolarHBondContact O-CG 3.5Å; N387-Q391 PolarHBondContact O-N 3.38Å
388	L	86.8	Confident	88.6	Confident	99 Å²	99	75.2 Å²	75.2	52%	0.518	37%	0.374	S	S	.	.	H	α-helix	trans	-61.7	-39.7	172.4	-69.7	169.6	0	0	0	111.6	K384 L385 K390 Q391 F392	K384-L388 HydrophobicContact CB-CD1 4.24Å; K384-L388 PolarHBondContact O-N 3.04Å; L385-L388 PolarHBondContact O-N 3.01Å; L388-K390 PolarHBondContact O-N 3.07Å; L388-Q391 PolarHBondContact O-N 3.35Å; L388-F392 WeakPolarHBondContact O-CB 3.34Å; L388-F392 PolarHBondContact O-N 3.46Å
389	A	88.5	Confident	88.7	Confident	10 Å²	10	75.3 Å²	75.3	8%	0.083	37%	0.371	C	S	.	.	H	α-helix	trans	-56.8	-47.4	174.7	0	0	0	0	0	112.2	L124 L127 L385 N387 F392 M393	L124-A389 HydrophobicContact CD2-CB 3.8Å; L127-A389 HydrophobicContact CD2-CB 3.37Å; L385-A389 WeakPolarHBondContact O-CB 3.35Å; L385-A389 PolarHBondContact O-N 2.96Å; N387-A389 VanDerWaalsContact C-N 3.31Å; N387-A389 PolarHBondContact O-N 3.34Å; A389-F392 PolarHBondContact O-N 3.43Å; A389-M393 WeakPolarHBondContact O-CG 3.37Å; A389-M393 PolarHBondContact O-N 3.42Å
390	K	86.3	Confident	88.9	Confident	122 Å²	122	75.7 Å²	75.7	53%	0.53	37%	0.365	S	S	.	.	H	α-helix	trans	-65.7	-38.8	176.9	-68.7	169.4	-177.2	177.3	0	112.5	P386 N387 L388 F394 Y558	P386-K390 VanDerWaalsContact O-CG 3.31Å; P386-K390 WeakPolarHBondContact O-CG 3.5Å; P386-K390 PolarHBondContact O-N 3.32Å; N387-K390 PolarHBondContact O-N 3.34Å; L388-K390 PolarHBondContact O-N 3.07Å; K390-F394 WeakPolarHBondContact O-CB 3.39Å; K390-F394 PolarHBondContact O-N 3.24Å; K390-Y558 WeakPolarHBondContact CB-OH 3.5Å
391	Q	85.3	Confident	89.1	Confident	64 Å²	64	73.4 Å²	73.4	30%	0.299	35%	0.351	S	S	.	.	H	α-helix	trans	-65.7	-37.8	174.8	-73.7	177	-16.8	0	0	112.3	N387 L388 F394 Y395 Y558	N387-Q391 WeakPolarHBondContact O-CG 3.5Å; N387-Q391 PolarHBondContact O-N 3.38Å; L388-Q391 PolarHBondContact O-N 3.35Å; Q391-F394 WeakPolarHBondContact O-CB 3.18Å; Q391-F394 PolarHBondContact O-N 2.72Å; Q391-Y395 WeakPolarHBondContact O-CD2 3.49Å; Q391-Y395 PolarHBondContact O-N 3.1Å; Q391-Y558 HydrophobicContact CG-CD1 4.03Å; Q391-Y558 HydrophobicContact CG-CE1 3.97Å
392	F	88	Confident	89.3	Confident	54 Å²	54	72.3 Å²	72.3	24%	0.237	34%	0.338	C	S	.	.	H	α-helix	trans	-65.2	-49.8	174.4	-179.5	-87.7	0	0	0	111.4	L127 L131 L134 L388 A389 F394 Y395 Q396	L127-F392 HydrophobicContact CD1-CD1 3.41Å; L127-F392 VanDerWaalsContact CD1-CD1 3.41Å; L127-F392 HydrophobicContact CD1-CE1 3.65Å; L127-F392 HydrophobicContact CD1-CG 4.37Å; L131-F392 HydrophobicContact CD2-CD1 4.4Å; L131-F392 HydrophobicContact CD2-CD2 3.95Å; L131-F392 HydrophobicContact CD2-CE1 4.13Å; L131-F392 HydrophobicContact CD2-CE2 3.66Å; L131-F392 HydrophobicContact CD2-CG 4.31Å; L131-F392 HydrophobicContact CD2-CZ 3.76Å; L134-F392 HydrophobicContact CD1-CZ 3.84Å; L388-F392 WeakPolarHBondContact O-CB 3.34Å; L388-F392 PolarHBondContact O-N 3.46Å; A389-F392 PolarHBondContact O-N 3.43Å; F392-F394 PolarHBondContact O-N 3.34Å; F392-Y395 PolarHBondContact O-N 3.14Å; F392-Q396 HydrophobicContact CE1-CB 4.48Å; F392-Q396 PolarHBondContact O-N 3Å
393	M	87.2	Confident	89.5	Confident	96 Å²	96	67.3 Å²	67.3	47%	0.473	33%	0.325	S	S	.	.	H	α-helix	trans	-55.1	-40	175.5	-71	-58.5	-53.6	0	0	112.1	L127 A389 Q396 E397	L127-M393 HydrophobicContact CD1-SD 4.12Å; A389-M393 WeakPolarHBondContact O-CG 3.37Å; A389-M393 PolarHBondContact O-N 3.42Å; M393-Q396 PolarHBondContact O-N 3.01Å; M393-E397 WeakPolarHBondContact O-CB 3.41Å; M393-E397 PolarHBondContact O-N 3.16Å
394	F	87	Confident	89.9	Confident	6 Å²	6	65.1 Å²	65.1	3%	0.026	32%	0.318	C	S	.	.	H	α-helix	trans	-61.8	-45.8	174.4	161.3	-94.7	0	0	0	113.1	K390 Q391 F392 Q396 M398 W554 Y558	K390-F394 WeakPolarHBondContact O-CB 3.39Å; K390-F394 PolarHBondContact O-N 3.24Å; Q391-F394 WeakPolarHBondContact O-CB 3.18Å; Q391-F394 PolarHBondContact O-N 2.72Å; F392-F394 PolarHBondContact O-N 3.34Å; F394-Q396 VanDerWaalsContact C-N 3.32Å; F394-M398 HydrophobicContact CE1-CE 3.79Å; F394-M398 HydrophobicContact CE2-CE 3.9Å; F394-M398 HydrophobicContact CZ-CE 3.33Å; F394-M398 VanDerWaalsContact O-CB 3.32Å; F394-M398 WeakPolarHBondContact O-CB 3.15Å; F394-M398 PolarHBondContact O-N 2.96Å; F394-W554 AromaticContact CD2-CD1 3.86Å; F394-W554 HydrophobicContact CD2-CG 4.5Å; F394-W554 HydrophobicContact CE2-CB 3.55Å; F394-W554 AromaticContact CE2-CD1 3.5Å; F394-W554 AromaticContact CE2-CG 3.75Å; F394-W554 HydrophobicContact CE2-CG 3.75Å; F394-W554 HydrophobicContact CZ-CB 3.93Å; F394-W554 HydrophobicContact CZ-CG 4.39Å; F394-Y558 HydrophobicContact CB-CD2 3.93Å; F394-Y558 HydrophobicContact CB-CE2 3.98Å; F394-Y558 HydrophobicContact CD1-CD2 4.16Å; F394-Y558 HydrophobicContact CD1-CG 4.35Å; F394-Y558 AromaticContact CD2-CD2 3.38Å; F394-Y558 HydrophobicContact CD2-CD2 3.38Å; F394-Y558 HydrophobicContact CD2-CE2 4.07Å; F394-Y558 HydrophobicContact CD2-CG 4.24Å; F394-Y558 AromaticContact CE2-CD2 3.77Å; F394-Y558 HydrophobicContact CE2-CD2 3.77Å; F394-Y558 HydrophobicContact CE2-CG 4.36Å; F394-Y558 AromaticContact CG-CD2 3.55Å; F394-Y558 HydrophobicContact CG-CD2 3.55Å; F394-Y558 HydrophobicContact CG-CE2 4.12Å; F394-Y558 HydrophobicContact CG-CG 4.19Å; F394-Y558 HydrophobicContact CZ-CD2 4.34Å
395	Y	88.9	Confident	90.1	Very high	77 Å²	77	60.4 Å²	60.4	30%	0.302	30%	0.298	S	S	.	.	H	α-helix	trans	-65.4	-37.4	175.9	-73.6	-54.5	0	0	0	111.9	Q391 F392 K399 S561 A565	Q391-Y395 WeakPolarHBondContact O-CD2 3.49Å; Q391-Y395 PolarHBondContact O-N 3.1Å; F392-Y395 PolarHBondContact O-N 3.14Å; Y395-K399 WeakPolarHBondContact O-CB 3.31Å; Y395-K399 PolarHBondContact O-N 3.13Å; Y395-S561 VanDerWaalsContact OH-CA 3.27Å; Y395-S561 WeakPolarHBondContact OH-CA 3.45Å; Y395-S561 VanDerWaalsContact OH-CB 3.3Å; Y395-S561 WeakPolarHBondContact OH-CB 3.21Å; Y395-S561 PolarHBondContact OH-O 3.15Å; Y395-A565 HydrophobicContact CE1-CB 4.13Å
396	Q	90.7	Very high	90.5	Very high	47 Å²	47	60.4 Å²	60.4	22%	0.22	30%	0.297	C	S	.	.	H	α-helix	trans	-66.4	-50.1	178.1	-169.7	61.3	32.5	0	0	111.4	F392 M393 F394 M398 K399 D400	F392-Q396 HydrophobicContact CE1-CB 4.48Å; F392-Q396 PolarHBondContact O-N 3Å; M393-Q396 PolarHBondContact O-N 3.01Å; F394-Q396 VanDerWaalsContact C-N 3.32Å; Q396-M398 VanDerWaalsContact C-N 3.33Å; Q396-M398 PolarHBondContact O-N 2.81Å; Q396-K399 PolarHBondContact O-N 2.85Å; Q396-D400 PolarHBondContact NE2-OD1 2.92Å; Q396-D400 PolarHBondContact NE2-OD2 2.94Å; Q396-D400 WeakPolarHBondContact O-CB 3.37Å; Q396-D400 VanDerWaalsContact O-CG 3.28Å; Q396-D400 PolarHBondContact O-N 3.22Å
397	E	91	Very high	90.7	Very high	92 Å²	92	61.9 Å²	61.9	43%	0.43	31%	0.309	S	S	.	.	H	α-helix	trans	-54.6	-46.8	174.9	-178.9	-174.9	-167.6	0	0	111.8	M393 Y401	M393-E397 WeakPolarHBondContact O-CB 3.41Å; M393-E397 PolarHBondContact O-N 3.16Å; E397-Y401 WeakPolarHBondContact O-CB 3.46Å; E397-Y401 PolarHBondContact O-N 2.74Å; E397-Y401 VanDerWaalsContact O-N 3.15Å
398	M	90.6	Very high	91.1	Very high	8 Å²	8	58.5 Å²	58.5	4%	0.039	29%	0.292	C	S	.	.	H	α-helix	trans	-64.5	-46.2	177.7	177.1	-169.1	-68.8	0	0	112.5	F394 Q396 I402 W554 Y562 I567	F394-M398 HydrophobicContact CE1-CE 3.79Å; F394-M398 HydrophobicContact CE2-CE 3.9Å; F394-M398 HydrophobicContact CZ-CE 3.33Å; F394-M398 VanDerWaalsContact O-CB 3.32Å; F394-M398 WeakPolarHBondContact O-CB 3.15Å; F394-M398 PolarHBondContact O-N 2.96Å; Q396-M398 VanDerWaalsContact C-N 3.33Å; Q396-M398 PolarHBondContact O-N 2.81Å; M398-I402 HydrophobicContact CG-CD1 3.72Å; M398-I402 WeakPolarHBondContact O-CB 3.26Å; M398-I402 VanDerWaalsContact O-CG1 3.23Å; M398-I402 WeakPolarHBondContact O-CG1 3.48Å; M398-I402 PolarHBondContact O-N 2.95Å; M398-I402 HydrophobicContact SD-CD1 4.47Å; M398-W554 HydrophobicContact CB-CD2 4.15Å; M398-W554 HydrophobicContact CB-CE3 4.4Å; M398-W554 HydrophobicContact CB-CH2 4.31Å; M398-W554 HydrophobicContact CB-CZ2 4.06Å; M398-W554 HydrophobicContact CB-CZ3 4.48Å; M398-W554 HydrophobicContact CE-CB 3.6Å; M398-W554 HydrophobicContact CE-CD2 3.77Å; M398-W554 HydrophobicContact CE-CE3 3.89Å; M398-W554 HydrophobicContact CE-CG 3.66Å; M398-W554 HydrophobicContact CG-CD2 4.05Å; M398-W554 HydrophobicContact CG-CE3 3.82Å; M398-W554 HydrophobicContact CG-CH2 4.1Å; M398-W554 HydrophobicContact CG-CZ2 4.32Å; M398-W554 HydrophobicContact CG-CZ3 3.86Å; M398-Y562 HydrophobicContact CE-CD2 4.13Å; M398-I567 HydrophobicContact CE-CD1 3.54Å; M398-I567 HydrophobicContact SD-CD1 3.34Å; M398-I567 WeakPolarHBondContact SD-CD1 3.35Å; M398-I567 HydrophobicContact SD-CG1 4.12Å
399	K	92	Very high	91.5	Very high	95 Å²	95	54.1 Å²	54.1	41%	0.413	27%	0.269	S	S	.	.	H	α-helix	trans	-61.4	-48.7	-179.4	-179	-157.4	144.2	-59.8	0	110.4	Y395 Q396 Y401 I402 D403	Y395-K399 WeakPolarHBondContact O-CB 3.31Å; Y395-K399 PolarHBondContact O-N 3.13Å; Q396-K399 PolarHBondContact O-N 2.85Å; K399-Y401 PolarHBondContact O-N 3.47Å; K399-I402 PolarHBondContact O-N 3.39Å; K399-D403 WeakPolarHBondContact CE-OD2 3.21Å; K399-D403 IonicContact NZ-OD2 2.68Å; K399-D403 PolarHBondContact NZ-OD2 3.48Å; K399-D403 PolarHBondContact O-N 3.25Å
400	D	93.9	Very high	91.8	Very high	63 Å²	63	58.8 Å²	58.8	34%	0.337	29%	0.292	S	S	.	.	H	α-helix	trans	-66.8	-40.1	-175.4	-64.9	-18.5	0	0	0	111.2	Q396 I402 D403 D404	Q396-D400 PolarHBondContact NE2-OD1 2.92Å; Q396-D400 PolarHBondContact NE2-OD2 2.94Å; Q396-D400 WeakPolarHBondContact O-CB 3.37Å; Q396-D400 VanDerWaalsContact O-CG 3.28Å; Q396-D400 PolarHBondContact O-N 3.22Å; D400-I402 PolarHBondContact O-N 3.22Å; D400-D403 PolarHBondContact O-N 3.28Å; D400-D404 PolarHBondContact O-N 3.47Å
401	Y	94.8	Very high	92.2	Very high	21 Å²	21	59 Å²	59	8%	0.082	30%	0.295	C	S	.	.	H	α-helix	trans	-60.6	-43.2	170.6	179	-83.3	0	0	0	112.9	E397 K399 D404 L405 E540 F541 R550 W554	E397-Y401 WeakPolarHBondContact O-CB 3.46Å; E397-Y401 PolarHBondContact O-N 2.74Å; E397-Y401 VanDerWaalsContact O-N 3.15Å; K399-Y401 PolarHBondContact O-N 3.47Å; Y401-D404 PolarHBondContact O-N 3.46Å; Y401-L405 HydrophobicContact CE1-CD2 4.01Å; Y401-L405 VanDerWaalsContact O-CB 3.29Å; Y401-L405 WeakPolarHBondContact O-CB 3.26Å; Y401-L405 PolarHBondContact O-N 3.39Å; Y401-E540 PolarHBondContact OH-O 3.4Å; Y401-F541 AromaticContact CD2-CE1 3.9Å; Y401-F541 HydrophobicContact CD2-CE1 3.9Å; Y401-F541 AromaticContact CD2-CZ 3.96Å; Y401-F541 HydrophobicContact CD2-CZ 3.96Å; Y401-F541 HydrophobicContact CE2-CD1 4.4Å; Y401-F541 AromaticContact CE2-CE1 3.83Å; Y401-F541 HydrophobicContact CE2-CE1 3.83Å; Y401-F541 AromaticContact CE2-CZ 3.93Å; Y401-F541 HydrophobicContact CE2-CZ 3.93Å; Y401-F541 HydrophobicContact CG-CE1 4.44Å; Y401-R550 HydrophobicContact CE2-CG 4.03Å; Y401-W554 AromaticContact CD1-CH2 3.5Å; Y401-W554 HydrophobicContact CD1-CH2 3.5Å; Y401-W554 VanDerWaalsContact CD1-CH2 3.5Å; Y401-W554 HydrophobicContact CD1-CZ2 4.43Å; Y401-W554 HydrophobicContact CD1-CZ3 4.27Å; Y401-W554 HydrophobicContact CE1-CH2 4.13Å; Y401-W554 AromaticContact CG-CH2 3.77Å; Y401-W554 HydrophobicContact CG-CH2 3.77Å; Y401-W554 HydrophobicContact CG-CZ2 4.28Å
402	I	93.9	Very high	92.6	Very high	28 Å²	28	56.1 Å²	56.1	14%	0.144	28%	0.282	C	S	.	.	H	α-helix	trans	-67.3	-38.7	179.5	-71.8	171.5	0	0	0	110.8	M398 K399 D400 L405 I406 F551	M398-I402 HydrophobicContact CG-CD1 3.72Å; M398-I402 WeakPolarHBondContact O-CB 3.26Å; M398-I402 VanDerWaalsContact O-CG1 3.23Å; M398-I402 WeakPolarHBondContact O-CG1 3.48Å; M398-I402 PolarHBondContact O-N 2.95Å; M398-I402 HydrophobicContact SD-CD1 4.47Å; K399-I402 PolarHBondContact O-N 3.39Å; D400-I402 PolarHBondContact O-N 3.22Å; I402-L405 PolarHBondContact O-N 3.19Å; I402-I406 HydrophobicContact CG2-CD1 3.62Å; I402-I406 HydrophobicContact CG2-CG1 4.3Å; I402-I406 VanDerWaalsContact O-CB 3.31Å; I402-I406 WeakPolarHBondContact O-CB 3.17Å; I402-I406 WeakPolarHBondContact O-CG1 3.43Å; I402-I406 PolarHBondContact O-N 3.13Å; I402-F551 HydrophobicContact CD1-CE1 3.97Å; I402-F551 HydrophobicContact CD1-CZ 4.06Å; I402-F551 HydrophobicContact CG1-CE1 4.43Å; I402-F551 HydrophobicContact CG1-CZ 4.05Å
403	D	94.8	Very high	92.9	Very high	80 Å²	80	55.3 Å²	55.3	43%	0.428	28%	0.279	S	S	.	.	H	α-helix	trans	-64.2	-43.7	175.6	-76.2	-26.3	0	0	0	111.3	K399 D400 I406 S407	K399-D403 WeakPolarHBondContact CE-OD2 3.21Å; K399-D403 IonicContact NZ-OD2 2.68Å; K399-D403 PolarHBondContact NZ-OD2 3.48Å; K399-D403 PolarHBondContact O-N 3.25Å; D400-D403 PolarHBondContact O-N 3.28Å; D403-I406 PolarHBondContact O-N 3.37Å; D403-S407 VanDerWaalsContact O-CB 3.28Å; D403-S407 WeakPolarHBondContact O-CB 3.43Å; D403-S407 PolarHBondContact O-N 3.08Å
404	D	95.1	Very high	93.3	Very high	98 Å²	98	54.7 Å²	54.7	52%	0.524	28%	0.284	S	S	.	.	H	α-helix	trans	-62.5	-44.5	174.3	-80.4	-19.5	0	0	0	112.1	D400 Y401 S407 C408 F541	D400-D404 PolarHBondContact O-N 3.47Å; Y401-D404 PolarHBondContact O-N 3.46Å; D404-S407 WeakPolarHBondContact O-CB 3.4Å; D404-S407 PolarHBondContact O-N 2.96Å; D404-C408 WeakPolarHBondContact O-CB 3.38Å; D404-C408 PolarHBondContact O-N 3.27Å; D404-F541 HydrophobicContact CB-CE1 3.83Å; D404-F541 HydrophobicContact CB-CZ 4.37Å
405	L	94.8	Very high	93.7	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-63.2	-42.9	177.2	-175.4	65	0	0	0	111.9	Y401 I402 F409 F541 I547 L574	Y401-L405 HydrophobicContact CE1-CD2 4.01Å; Y401-L405 VanDerWaalsContact O-CB 3.29Å; Y401-L405 WeakPolarHBondContact O-CB 3.26Å; Y401-L405 PolarHBondContact O-N 3.39Å; I402-L405 PolarHBondContact O-N 3.19Å; L405-F409 HydrophobicContact CD1-CD1 4.45Å; L405-F409 HydrophobicContact CD1-CD2 4.41Å; L405-F409 HydrophobicContact CD1-CE1 3.84Å; L405-F409 HydrophobicContact CD1-CE2 3.79Å; L405-F409 HydrophobicContact CD1-CZ 3.47Å; L405-F409 VanDerWaalsContact CD1-CZ 3.47Å; L405-F409 HydrophobicContact CD2-CE2 4.22Å; L405-F409 HydrophobicContact CG-CD2 4.2Å; L405-F409 HydrophobicContact CG-CE2 3.78Å; L405-F409 HydrophobicContact CG-CZ 4.02Å; L405-F409 WeakPolarHBondContact O-CB 3.1Å; L405-F409 VanDerWaalsContact O-CG 3.31Å; L405-F409 WeakPolarHBondContact O-CG 3.27Å; L405-F409 PolarHBondContact O-N 2.87Å; L405-F541 HydrophobicContact CB-CD1 4.08Å; L405-F541 HydrophobicContact CB-CE1 4.47Å; L405-F541 HydrophobicContact CD1-CB 4.13Å; L405-F541 HydrophobicContact CD1-CD1 3.93Å; L405-F541 WeakPolarHBondContact CD1-O 3.48Å; L405-I547 HydrophobicContact CD1-CD1 3.99Å; L405-I547 HydrophobicContact CD1-CG1 4.38Å; L405-I547 HydrophobicContact CD2-CG2 3.82Å; L405-L574 HydrophobicContact CD2-CD1 3.95Å; L405-L574 HydrophobicContact CD2-CD2 4Å; L405-L574 HydrophobicContact CD2-CG 4.08Å; L405-L574 HydrophobicContact CG-CD1 4.33Å
406	I	95.2	Very high	94	Very high	67 Å²	67	55 Å²	55	34%	0.344	29%	0.287	S	S	.	.	H	α-helix	trans	-66.1	-39.2	175.2	-73	171.3	0	0	0	110.8	I402 D403 F409 N410 L574	I402-I406 HydrophobicContact CG2-CD1 3.62Å; I402-I406 HydrophobicContact CG2-CG1 4.3Å; I402-I406 VanDerWaalsContact O-CB 3.31Å; I402-I406 WeakPolarHBondContact O-CB 3.17Å; I402-I406 WeakPolarHBondContact O-CG1 3.43Å; I402-I406 PolarHBondContact O-N 3.13Å; D403-I406 PolarHBondContact O-N 3.37Å; I406-F409 PolarHBondContact O-N 3.02Å; I406-N410 VanDerWaalsContact CG2-ND2 3.28Å; I406-N410 WeakPolarHBondContact CG2-ND2 3.28Å; I406-N410 VanDerWaalsContact O-CB 3.27Å; I406-N410 WeakPolarHBondContact O-CB 3.43Å; I406-N410 PolarHBondContact O-N 3.3Å; I406-N410 PolarHBondContact O-ND2 2.87Å; I406-N410 VanDerWaalsContact O-ND2 3.08Å; I406-L574 HydrophobicContact CD1-CD1 4.38Å; I406-L574 HydrophobicContact CG1-CD1 3.79Å
407	S	94.5	Very high	94.3	Very high	79 Å²	79	56.2 Å²	56.2	55%	0.552	29%	0.293	S	S	*	.	H	α-helix	trans	-60.3	-51.9	175.9	-170.8	0	0	0	0	111.2	D403 D404 F409 N410 E411	D403-S407 VanDerWaalsContact O-CB 3.28Å; D403-S407 WeakPolarHBondContact O-CB 3.43Å; D403-S407 PolarHBondContact O-N 3.08Å; D404-S407 WeakPolarHBondContact O-CB 3.4Å; D404-S407 PolarHBondContact O-N 2.96Å; S407-F409 PolarHBondContact O-N 2.91Å; S407-N410 PolarHBondContact O-N 2.85Å; S407-E411 PolarHBondContact O-N 3.43Å; S407-E411 VanDerWaalsContact O-N 3.13Å
408	C	94.2	Very high	94.5	Very high	22 Å²	22	58.3 Å²	58.3	15%	0.149	30%	0.298	C	S	.	.	H	α-helix	trans	-53.2	-54	173.5	176	0	0	0	0	111.8	D404 N410 E411 K412	D404-C408 WeakPolarHBondContact O-CB 3.38Å; D404-C408 PolarHBondContact O-N 3.27Å; C408-N410 PolarHBondContact O-N 3.26Å; C408-E411 PolarHBondContact O-N 3.46Å; C408-K412 WeakPolarHBondContact O-CG 3.39Å; C408-K412 PolarHBondContact O-N 3.2Å
409	F	95.3	Very high	94.8	Very high	8 Å²	8	58.5 Å²	58.5	4%	0.035	30%	0.299	C	S	.	.	H	α-helix	trans	-63.2	-37.5	-179	-74.3	-7.5	0	0	0	113.5	L405 I406 S407 K412 M413 F534 F541 I547 L574 P577 I578	L405-F409 HydrophobicContact CD1-CD1 4.45Å; L405-F409 HydrophobicContact CD1-CD2 4.41Å; L405-F409 HydrophobicContact CD1-CE1 3.84Å; L405-F409 HydrophobicContact CD1-CE2 3.79Å; L405-F409 HydrophobicContact CD1-CZ 3.47Å; L405-F409 VanDerWaalsContact CD1-CZ 3.47Å; L405-F409 HydrophobicContact CD2-CE2 4.22Å; L405-F409 HydrophobicContact CG-CD2 4.2Å; L405-F409 HydrophobicContact CG-CE2 3.78Å; L405-F409 HydrophobicContact CG-CZ 4.02Å; L405-F409 WeakPolarHBondContact O-CB 3.1Å; L405-F409 VanDerWaalsContact O-CG 3.31Å; L405-F409 WeakPolarHBondContact O-CG 3.27Å; L405-F409 PolarHBondContact O-N 2.87Å; I406-F409 PolarHBondContact O-N 3.02Å; S407-F409 PolarHBondContact O-N 2.91Å; F409-K412 PolarHBondContact O-N 2.99Å; F409-M413 WeakPolarHBondContact O-CB 3.24Å; F409-M413 PolarHBondContact O-N 3.16Å; F409-F534 HydrophobicContact CD1-CE1 4.06Å; F409-F534 HydrophobicContact CD1-CZ 4.36Å; F409-F534 HydrophobicContact CE1-CE1 4.12Å; F409-F534 HydrophobicContact CE1-CZ 4.36Å; F409-F541 VanDerWaalsContact CE1-O 3.32Å; F409-F541 WeakPolarHBondContact CE1-O 3.42Å; F409-I547 HydrophobicContact CZ-CD1 4.05Å; F409-L574 WeakPolarHBondContact CD2-O 3.39Å; F409-L574 VanDerWaalsContact CE2-O 3.24Å; F409-L574 WeakPolarHBondContact CE2-O 3.27Å; F409-P577 HydrophobicContact CB-CB 4.46Å; F409-P577 HydrophobicContact CB-CG 3.92Å; F409-P577 HydrophobicContact CD1-CB 4.43Å; F409-P577 HydrophobicContact CD2-CB 4.35Å; F409-P577 HydrophobicContact CD2-CG 3.77Å; F409-P577 HydrophobicContact CE2-CG 4.44Å; F409-P577 HydrophobicContact CG-CB 4.17Å; F409-P577 HydrophobicContact CG-CG 3.85Å; F409-I578 HydrophobicContact CE1-CD1 4.32Å; F409-I578 HydrophobicContact CE1-CG1 4.3Å; F409-I578 HydrophobicContact CZ-CD1 3.67Å; F409-I578 HydrophobicContact CZ-CG1 3.95Å
410	N	94.6	Very high	95	Very high	108 Å²	108	54.6 Å²	54.6	58%	0.578	28%	0.282	S	S	*	.	H	α-helix	trans	-64.8	-39.4	177	-78.4	-33.2	0	0	0	112.3	I406 S407 C408 M413	I406-N410 VanDerWaalsContact CG2-ND2 3.28Å; I406-N410 WeakPolarHBondContact CG2-ND2 3.28Å; I406-N410 VanDerWaalsContact O-CB 3.27Å; I406-N410 WeakPolarHBondContact O-CB 3.43Å; I406-N410 PolarHBondContact O-N 3.3Å; I406-N410 PolarHBondContact O-ND2 2.87Å; I406-N410 VanDerWaalsContact O-ND2 3.08Å; S407-N410 PolarHBondContact O-N 2.85Å; C408-N410 PolarHBondContact O-N 3.26Å; N410-M413 WeakPolarHBondContact O-CB 3.47Å; N410-M413 PolarHBondContact O-N 3.36Å
411	E	93.9	Very high	95.1	Very high	125 Å²	125	57.3 Å²	57.3	58%	0.584	29%	0.291	S	S	*	.	H	α-helix	trans	-62.5	-45.4	175.1	-164.3	-166.5	132.1	0	0	111.2	S407 C408 M413 S414	S407-E411 PolarHBondContact O-N 3.43Å; S407-E411 VanDerWaalsContact O-N 3.13Å; C408-E411 PolarHBondContact O-N 3.46Å; E411-M413 PolarHBondContact O-N 3.47Å; E411-S414 PolarHBondContact O-OG 3.23Å
412	K	94.2	Very high	95.2	Very high	5 Å²	5	59.5 Å²	59.5	2%	0.022	30%	0.299	C	S	.	.	H	α-helix	trans	-73.7	-23.2	179.8	-55.6	-60.1	-177.2	160.2	0	113.5	C408 F409 S414 K415 I416 L533 F534 D536	C408-K412 WeakPolarHBondContact O-CG 3.39Å; C408-K412 PolarHBondContact O-N 3.2Å; F409-K412 PolarHBondContact O-N 2.99Å; K412-S414 VanDerWaalsContact C-N 3.29Å; K412-S414 PolarHBondContact O-N 2.99Å; K412-K415 WeakPolarHBondContact O-CB 3.31Å; K412-K415 PolarHBondContact O-N 3.34Å; K412-I416 PolarHBondContact O-N 2.83Å; K412-L533 HydrophobicContact CB-CD2 4.39Å; K412-L533 HydrophobicContact CD-CD1 4.26Å; K412-L533 HydrophobicContact CD-CG 4.34Å; K412-L533 PolarHBondContact NZ-O 3.44Å; K412-F534 HydrophobicContact CB-CE1 4.15Å; K412-F534 HydrophobicContact CB-CZ 4.37Å; K412-F534 HydrophobicContact CG-CD1 4.2Å; K412-F534 HydrophobicContact CG-CE1 3.79Å; K412-F534 HydrophobicContact CG-CZ 4.47Å; K412-D536 IonicContact NZ-OD1 3.75Å; K412-D536 PolarHBondContact NZ-OD1 3.3Å; K412-D536 IonicContact NZ-OD2 3.05Å; K412-D536 PolarHBondContact NZ-OD2 3.15Å
413	M	94.5	Very high	95.3	Very high	37 Å²	37	58.3 Å²	58.3	18%	0.182	29%	0.293	C	S	.	.	H	α-helix	trans	-53.3	-43.8	-173.7	-171.2	69.5	-94.5	0	0	112.6	F409 N410 E411 K415 I416 E417	F409-M413 WeakPolarHBondContact O-CB 3.24Å; F409-M413 PolarHBondContact O-N 3.16Å; N410-M413 WeakPolarHBondContact O-CB 3.47Å; N410-M413 PolarHBondContact O-N 3.36Å; E411-M413 PolarHBondContact O-N 3.47Å; M413-K415 VanDerWaalsContact C-N 3.29Å; M413-K415 PolarHBondContact O-N 2.92Å; M413-I416 HydrophobicContact CE-CB 3.9Å; M413-I416 HydrophobicContact CE-CD1 4.45Å; M413-I416 HydrophobicContact CE-CG2 3.97Å; M413-I416 PolarHBondContact O-N 3.13Å; M413-E417 HydrophobicContact CE-CG 3.94Å; M413-E417 PolarHBondContact O-N 2.84Å
414	S	94.7	Very high	95.3	Very high	82 Å²	82	55.8 Å²	55.8	57%	0.573	28%	0.279	S	S	*	.	H	α-helix	trans	-60	-36.6	178.6	64.1	0	0	0	0	113.4	E411 K412 Y418	E411-S414 PolarHBondContact O-OG 3.23Å; K412-S414 VanDerWaalsContact C-N 3.29Å; K412-S414 PolarHBondContact O-N 2.99Å; S414-Y418 PolarHBondContact O-N 3.45Å
415	K	95.2	Very high	95.4	Very high	91 Å²	91	55.5 Å²	55.5	40%	0.396	28%	0.277	S	S	.	.	H	α-helix	trans	-75.2	-40.8	177.6	-62.5	171.8	-179.9	169	0	111.2	K412 M413 E417 Y418 L419 L533	K412-K415 WeakPolarHBondContact O-CB 3.31Å; K412-K415 PolarHBondContact O-N 3.34Å; M413-K415 VanDerWaalsContact C-N 3.29Å; M413-K415 PolarHBondContact O-N 2.92Å; K415-E417 VanDerWaalsContact C-N 3.34Å; K415-E417 PolarHBondContact O-N 3.48Å; K415-Y418 WeakPolarHBondContact O-CB 3.21Å; K415-Y418 PolarHBondContact O-N 3.33Å; K415-Y418 VanDerWaalsContact O-N 3.16Å; K415-L419 WeakPolarHBondContact O-CG 3.31Å; K415-L419 PolarHBondContact O-N 2.98Å; K415-L533 HydrophobicContact CB-CD1 3.53Å; K415-L533 HydrophobicContact CB-CD2 4.32Å; K415-L533 HydrophobicContact CD-CD1 3.46Å; K415-L533 VanDerWaalsContact CD-CD1 3.46Å; K415-L533 HydrophobicContact CG-CD1 4.12Å
416	I	96.2	Very high	95.4	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-57.7	-47.9	173.2	-61.6	173.2	0	0	0	110.1	K412 M413 Y418 L419 E420 L533 F534 P577 R580	K412-I416 PolarHBondContact O-N 2.83Å; M413-I416 HydrophobicContact CE-CB 3.9Å; M413-I416 HydrophobicContact CE-CD1 4.45Å; M413-I416 HydrophobicContact CE-CG2 3.97Å; M413-I416 PolarHBondContact O-N 3.13Å; I416-Y418 VanDerWaalsContact C-N 3.28Å; I416-Y418 PolarHBondContact O-N 3.25Å; I416-L419 PolarHBondContact O-N 3.17Å; I416-E420 HydrophobicContact CG2-CG 4.34Å; I416-E420 WeakPolarHBondContact O-CG 3.39Å; I416-E420 PolarHBondContact O-N 3.09Å; I416-L533 HydrophobicContact CD1-CD2 4.24Å; I416-L533 HydrophobicContact CG1-CD2 3.36Å; I416-F534 HydrophobicContact CD1-CZ 4.39Å; I416-P577 HydrophobicContact CD1-CB 3.68Å; I416-R580 HydrophobicContact CG2-CB 4.06Å
417	E	96.1	Very high	95.4	Very high	72 Å²	72	53.5 Å²	53.5	34%	0.336	27%	0.266	S	S	.	.	H	α-helix	trans	-61	-35.4	177.6	-72.5	-161.2	178.4	0	0	113.4	M413 K415 K421	M413-E417 HydrophobicContact CE-CG 3.94Å; M413-E417 PolarHBondContact O-N 2.84Å; K415-E417 VanDerWaalsContact C-N 3.34Å; K415-E417 PolarHBondContact O-N 3.48Å; E417-K421 WeakPolarHBondContact O-CB 3.45Å; E417-K421 VanDerWaalsContact O-CD 3.24Å; E417-K421 WeakPolarHBondContact O-CD 3.4Å; E417-K421 WeakPolarHBondContact O-CG 3.46Å; E417-K421 PolarHBondContact O-N 2.86Å; E417-K421 IonicContact OE2-NZ 3.72Å; E417-K421 PolarHBondContact OE2-NZ 3.08Å
418	Y	96.5	Very high	95.4	Very high	136 Å²	136	56.3 Å²	56.3	53%	0.533	26%	0.264	S	S	.	.	H	α-helix	trans	-64.6	-47.9	175.5	172.7	-92.7	0	0	0	111.2	S414 K415 I416 K421 R422	S414-Y418 PolarHBondContact O-N 3.45Å; K415-Y418 WeakPolarHBondContact O-CB 3.21Å; K415-Y418 PolarHBondContact O-N 3.33Å; K415-Y418 VanDerWaalsContact O-N 3.16Å; I416-Y418 VanDerWaalsContact C-N 3.28Å; I416-Y418 PolarHBondContact O-N 3.25Å; Y418-K421 PolarHBondContact O-N 3.28Å; Y418-R422 WeakPolarHBondContact O-CB 3.37Å; Y418-R422 PolarHBondContact O-N 3.31Å
419	L	96.7	Very high	95.4	Very high	11 Å²	11	59.5 Å²	59.5	6%	0.058	28%	0.277	C	S	.	.	H	α-helix	trans	-64.9	-42.1	179.2	-64.2	170.1	0	0	0	111.7	K415 I416 R422 S423 L526 D529 A530 I584	K415-L419 WeakPolarHBondContact O-CG 3.31Å; K415-L419 PolarHBondContact O-N 2.98Å; I416-L419 PolarHBondContact O-N 3.17Å; L419-R422 PolarHBondContact O-N 3.16Å; L419-S423 PolarHBondContact O-N 3.2Å; L419-L526 HydrophobicContact CD2-CD2 3.71Å; L419-D529 HydrophobicContact CD2-CB 3.81Å; L419-A530 HydrophobicContact CD1-CB 4.09Å; L419-I584 HydrophobicContact CB-CD1 3.78Å; L419-I584 HydrophobicContact CD1-CD1 4.35Å
420	E	95.8	Very high	95.3	Very high	14 Å²	14	61.5 Å²	61.5	7%	0.065	29%	0.285	C	S	.	.	H	α-helix	trans	-57.4	-51.5	172.2	-76.5	178	144.1	0	0	111.4	I416 R422 S423 I424 R580 I584	I416-E420 HydrophobicContact CG2-CG 4.34Å; I416-E420 WeakPolarHBondContact O-CG 3.39Å; I416-E420 PolarHBondContact O-N 3.09Å; E420-R422 VanDerWaalsContact C-N 3.31Å; E420-R422 PolarHBondContact O-N 2.95Å; E420-S423 PolarHBondContact O-N 3.09Å; E420-S423 PolarHBondContact O-OG 3.5Å; E420-I424 WeakPolarHBondContact O-CG1 3.17Å; E420-I424 PolarHBondContact O-N 2.86Å; E420-R580 WeakPolarHBondContact OE1-CB 3.38Å; E420-R580 WeakPolarHBondContact OE1-CG 3.16Å; E420-R580 IonicContact OE1-CZ 3.27Å; E420-R580 IonicContact OE1-NE 2.73Å; E420-R580 PolarHBondContact OE1-NE 2.88Å; E420-R580 IonicContact OE1-NH2 2.87Å; E420-R580 IonicContact OE2-CZ 3.96Å; E420-R580 IonicContact OE2-NE 2.78Å; E420-R580 PolarHBondContact OE2-NE 2.93Å; E420-R580 IonicContact OE2-NH2 3.83Å; E420-R580 PolarHBondContact OE2-NH2 3.14Å; E420-I584 HydrophobicContact CG-CG1 4.05Å
421	K	96.3	Very high	95.3	Very high	119 Å²	119	57.3 Å²	57.3	52%	0.517	26%	0.261	S	S	.	.	H	α-helix	trans	-58.1	-43.2	177.8	-73.5	161.6	-165.3	158.2	0	111.2	E417 Y418 I424 I425	E417-K421 WeakPolarHBondContact O-CB 3.45Å; E417-K421 VanDerWaalsContact O-CD 3.24Å; E417-K421 WeakPolarHBondContact O-CD 3.4Å; E417-K421 WeakPolarHBondContact O-CG 3.46Å; E417-K421 PolarHBondContact O-N 2.86Å; E417-K421 IonicContact OE2-NZ 3.72Å; E417-K421 PolarHBondContact OE2-NZ 3.08Å; Y418-K421 PolarHBondContact O-N 3.28Å; K421-I424 PolarHBondContact O-N 2.9Å; K421-I425 VanDerWaalsContact O-CG1 3.31Å; K421-I425 WeakPolarHBondContact O-CG1 3.28Å; K421-I425 PolarHBondContact O-N 3.29Å
422	R	96.5	Very high	95.4	Very high	68 Å²	68	54.3 Å²	54.3	26%	0.257	25%	0.249	S	C	.	.	H	α-helix	trans	-65.5	-39.5	178.3	-170	171.3	154.4	102.2	4.2	112.2	Y32 Y418 L419 E420 I424 I425 I426 L526	Y32-R422 PolarHBondContact OH-NH1 3.33Å; Y418-R422 WeakPolarHBondContact O-CB 3.37Å; Y418-R422 PolarHBondContact O-N 3.31Å; L419-R422 PolarHBondContact O-N 3.16Å; E420-R422 VanDerWaalsContact C-N 3.31Å; E420-R422 PolarHBondContact O-N 2.95Å; R422-I424 PolarHBondContact O-N 2.96Å; R422-I425 PolarHBondContact O-N 3.21Å; R422-I426 WeakPolarHBondContact O-CG1 3.36Å; R422-I426 PolarHBondContact O-N 3.23Å; R422-I426 VanDerWaalsContact O-N 3.13Å; R422-L526 HydrophobicContact CB-CD1 4.35Å; R422-L526 HydrophobicContact CB-CD2 4Å; R422-L526 HydrophobicContact CG-CD1 4.11Å; R422-L526 HydrophobicContact CG-CD2 3.83Å; R422-L526 HydrophobicContact CG-CG 4.34Å
423	S	95.6	Very high	95.3	Very high	3 Å²	3	59.4 Å²	59.4	2%	0.021	27%	0.271	C	S	.	.	H	α-helix	trans	-62.2	-42.4	172.5	72.8	0	0	0	0	112.6	L419 E420 I425 I426 F427 I584 R676	L419-S423 PolarHBondContact O-N 3.2Å; E420-S423 PolarHBondContact O-N 3.09Å; E420-S423 PolarHBondContact O-OG 3.5Å; S423-I425 VanDerWaalsContact C-N 3.33Å; S423-I425 PolarHBondContact O-N 3.14Å; S423-I426 PolarHBondContact O-N 3.08Å; S423-F427 WeakPolarHBondContact O-CD2 3.28Å; S423-F427 WeakPolarHBondContact O-CG 3.41Å; S423-F427 PolarHBondContact O-N 3.36Å; S423-F427 VanDerWaalsContact O-N 3.1Å; S423-I584 WeakPolarHBondContact CB-O 3.25Å; S423-I584 PolarHBondContact OG-O 3.32Å; S423-R676 PolarHBondContact OG-NH1 3.38Å; S423-R676 PolarHBondContact OG-NH2 3.33Å
424	I	96	Very high	95.2	Very high	26 Å²	26	58.4 Å²	58.4	13%	0.133	27%	0.266	C	S	.	.	H	α-helix	trans	-64	-38.1	177	-68.3	-61.2	0	0	0	111.2	E420 K421 R422 F427 R428 E679 L680 A683	E420-I424 WeakPolarHBondContact O-CG1 3.17Å; E420-I424 PolarHBondContact O-N 2.86Å; K421-I424 PolarHBondContact O-N 2.9Å; R422-I424 PolarHBondContact O-N 2.96Å; I424-F427 PolarHBondContact O-N 3.16Å; I424-R428 VanDerWaalsContact O-CB 3.28Å; I424-R428 WeakPolarHBondContact O-CB 3.44Å; I424-R428 PolarHBondContact O-N 3.47Å; I424-E679 HydrophobicContact CD1-CB 3.89Å; I424-E679 HydrophobicContact CG1-CB 4.38Å; I424-L680 HydrophobicContact CD1-CD2 3.61Å; I424-L680 HydrophobicContact CD1-CG 4Å; I424-A683 HydrophobicContact CG2-CB 3.59Å
425	I	96.4	Very high	95.1	Very high	93 Å²	93	54.8 Å²	54.8	48%	0.477	24%	0.241	S	C	.	.	H	α-helix	trans	-61.3	-47.2	174.6	-70.2	163.2	0	0	0	110.8	K421 R422 S423 F427 R428 E429	K421-I425 VanDerWaalsContact O-CG1 3.31Å; K421-I425 WeakPolarHBondContact O-CG1 3.28Å; K421-I425 PolarHBondContact O-N 3.29Å; R422-I425 PolarHBondContact O-N 3.21Å; S423-I425 VanDerWaalsContact C-N 3.33Å; S423-I425 PolarHBondContact O-N 3.14Å; I425-F427 VanDerWaalsContact C-N 3.35Å; I425-F427 PolarHBondContact O-N 2.64Å; I425-R428 WeakPolarHBondContact O-CB 3.4Å; I425-R428 PolarHBondContact O-N 3.43Å; I425-R428 VanDerWaalsContact O-N 3.13Å; I425-E429 HydrophobicContact CG2-CG 4.46Å; I425-E429 PolarHBondContact O-N 2.86Å
426	I	95	Very high	95	Very high	15 Å²	15	55.2 Å²	55.2	8%	0.077	24%	0.244	C	C	.	.	H	α-helix	trans	-61	-42.6	178.7	-65.3	169.6	0	0	0	111.7	R422 S423 R428 R430 R519 D522 I523 L526	R422-I426 WeakPolarHBondContact O-CG1 3.36Å; R422-I426 PolarHBondContact O-N 3.23Å; R422-I426 VanDerWaalsContact O-N 3.13Å; S423-I426 PolarHBondContact O-N 3.08Å; I426-R428 VanDerWaalsContact C-N 3.34Å; I426-R430 PolarHBondContact O-N 2.88Å; I426-R519 HydrophobicContact CG2-CG 3.63Å; I426-D522 HydrophobicContact CD1-CB 3.86Å; I426-I523 HydrophobicContact CD1-CG1 4.4Å; I426-I523 HydrophobicContact CG2-CD1 4.22Å; I426-I523 HydrophobicContact CG2-CG1 4.01Å; I426-L526 HydrophobicContact CD1-CD1 3.5Å; I426-L526 HydrophobicContact CD1-CG 4.35Å
427	F	94.2	Very high	94.8	Very high	10 Å²	10	57.5 Å²	57.5	4%	0.044	25%	0.253	C	S	.	.	H	α-helix	trans	-66.9	-35.8	175.7	-62.1	-43.8	0	0	0	112.5	S423 I424 I425 Y431 I523 N587 L680	S423-F427 WeakPolarHBondContact O-CD2 3.28Å; S423-F427 WeakPolarHBondContact O-CG 3.41Å; S423-F427 PolarHBondContact O-N 3.36Å; S423-F427 VanDerWaalsContact O-N 3.1Å; I424-F427 PolarHBondContact O-N 3.16Å; I425-F427 VanDerWaalsContact C-N 3.35Å; I425-F427 PolarHBondContact O-N 2.64Å; F427-Y431 PolarHBondContact O-N 3.42Å; F427-I523 HydrophobicContact CE1-CD1 3.82Å; F427-I523 HydrophobicContact CZ-CD1 4.49Å; F427-N587 WeakPolarHBondContact CD1-ND2 3.3Å; F427-N587 HydrophobicContact CE1-CB 4.07Å; F427-N587 HydrophobicContact CE2-CB 4.04Å; F427-N587 WeakPolarHBondContact CG-ND2 3.49Å; F427-N587 HydrophobicContact CZ-CB 3.76Å; F427-L680 HydrophobicContact CD2-CD2 3.49Å; F427-L680 VanDerWaalsContact CD2-CD2 3.49Å; F427-L680 HydrophobicContact CE2-CD2 3.86Å; F427-L680 HydrophobicContact CG-CD2 4.37Å
428	R	95.7	Very high	94.5	Very high	137 Å²	137	56.1 Å²	56.1	52%	0.517	25%	0.245	S	C	.	.	H	α-helix	trans	-67.3	-45.9	175.3	179.2	174.7	173.6	168.3	1	112.3	I424 I425 I426 R430 Y431 D432 A683	I424-R428 VanDerWaalsContact O-CB 3.28Å; I424-R428 WeakPolarHBondContact O-CB 3.44Å; I424-R428 PolarHBondContact O-N 3.47Å; I425-R428 WeakPolarHBondContact O-CB 3.4Å; I425-R428 PolarHBondContact O-N 3.43Å; I425-R428 VanDerWaalsContact O-N 3.13Å; I426-R428 VanDerWaalsContact C-N 3.34Å; R428-R430 PolarHBondContact O-N 2.95Å; R428-Y431 CarbonylContact O-C 3.54Å; R428-Y431 WeakPolarHBondContact O-CA 3.41Å; R428-Y431 WeakPolarHBondContact O-CB 3.25Å; R428-Y431 PolarHBondContact O-N 3.5Å; R428-D432 VanDerWaalsContact CG-OD2 3.29Å; R428-D432 WeakPolarHBondContact CG-OD2 3.34Å; R428-D432 IonicContact CZ-OD2 3.69Å; R428-D432 IonicContact NE-OD2 2.91Å; R428-D432 PolarHBondContact NE-OD2 3.42Å; R428-D432 IonicContact NH2-OD2 3.88Å; R428-D432 PolarHBondContact O-N 2.98Å; R428-A683 HydrophobicContact CB-CB 4.2Å
429	E	94.9	Very high	94.3	Very high	90 Å²	90	53 Å²	53	42%	0.421	23%	0.232	S	C	.	.	H	α-helix	trans	-55.1	-39.9	178.9	-81.7	-169.3	-148.8	0	0	112.2	I425 K433	I425-E429 HydrophobicContact CG2-CG 4.46Å; I425-E429 PolarHBondContact O-N 2.86Å; E429-K433 VanDerWaalsContact O-CB 3.25Å; E429-K433 WeakPolarHBondContact O-CB 3.39Å; E429-K433 VanDerWaalsContact O-CD 3.3Å; E429-K433 WeakPolarHBondContact O-CD 3.32Å; E429-K433 WeakPolarHBondContact O-CG 3.27Å; E429-K433 PolarHBondContact O-N 3.27Å; E429-K433 IonicContact OE2-NZ 3.38Å; E429-K433 PolarHBondContact OE2-NZ 3.13Å
430	R	93.3	Very high	94	Very high	50 Å²	50	54.9 Å²	54.9	19%	0.189	24%	0.241	C	C	.	.	H	α-helix	trans	-58.4	-50.8	173.1	179.7	-176.9	-176.5	-134.9	-5.6	111.3	I426 R428 K433 L434 E511 N590	I426-R430 PolarHBondContact O-N 2.88Å; R428-R430 PolarHBondContact O-N 2.95Å; R430-K433 PolarHBondContact O-N 3.21Å; R430-L434 HydrophobicContact CG-CD1 4.18Å; R430-L434 VanDerWaalsContact O-CG 3.31Å; R430-L434 WeakPolarHBondContact O-CG 3.48Å; R430-L434 PolarHBondContact O-N 3.35Å; R430-L434 VanDerWaalsContact O-N 3.08Å; R430-E511 IonicContact CZ-OE2 3.92Å; R430-E511 IonicContact NE-OE2 3.61Å; R430-E511 PolarHBondContact NE-OE2 2.64Å; R430-E511 IonicContact NH2-OE2 3.97Å; R430-N590 PolarHBondContact NH1-OD1 3.47Å
431	Y	93.7	Very high	93.7	Very high	19 Å²	19	54.8 Å²	54.8	8%	0.075	24%	0.241	C	C	.	.	H	α-helix	trans	-61.6	-49.7	180	167.6	-89.2	0	0	0	111.4	F427 R428 K433 L434 V435 W685 D686	F427-Y431 PolarHBondContact O-N 3.42Å; R428-Y431 CarbonylContact O-C 3.54Å; R428-Y431 WeakPolarHBondContact O-CA 3.41Å; R428-Y431 WeakPolarHBondContact O-CB 3.25Å; R428-Y431 PolarHBondContact O-N 3.5Å; Y431-K433 VanDerWaalsContact C-N 3.33Å; Y431-K433 PolarHBondContact O-N 3.43Å; Y431-L434 PolarHBondContact O-N 3.28Å; Y431-V435 HydrophobicContact CD1-CG2 4.41Å; Y431-V435 HydrophobicContact CD2-CG2 4.16Å; Y431-V435 HydrophobicContact CE1-CG2 3.86Å; Y431-V435 HydrophobicContact CE2-CG2 3.6Å; Y431-V435 VanDerWaalsContact CZ-CG2 3.42Å; Y431-V435 PolarHBondContact O-N 2.93Å; Y431-W685 WeakPolarHBondContact CE2-O 3.38Å; Y431-D686 HydrophobicContact CD2-CB 4.06Å; Y431-D686 HydrophobicContact CE2-CB 3.85Å
432	D	94.9	Very high	93.4	Very high	63 Å²	63	50.5 Å²	50.5	34%	0.337	22%	0.223	S	C	.	.	H	α-helix	trans	-61.2	-41	-179.1	-73	-18.4	0	0	0	110.6	R428 L434 V435 E436	R428-D432 VanDerWaalsContact CG-OD2 3.29Å; R428-D432 WeakPolarHBondContact CG-OD2 3.34Å; R428-D432 IonicContact CZ-OD2 3.69Å; R428-D432 IonicContact NE-OD2 2.91Å; R428-D432 PolarHBondContact NE-OD2 3.42Å; R428-D432 IonicContact NH2-OD2 3.88Å; R428-D432 PolarHBondContact O-N 2.98Å; D432-L434 PolarHBondContact O-N 2.9Å; D432-V435 PolarHBondContact O-N 2.99Å; D432-E436 WeakPolarHBondContact O-CB 3.35Å; D432-E436 PolarHBondContact O-N 3.48Å
433	K	93.5	Very high	93.1	Very high	112 Å²	112	53 Å²	53	49%	0.487	24%	0.236	S	C	.	.	H	α-helix	trans	-61.7	-38.7	173.1	-74.9	163.2	-178.3	159.4	0	112.9	E429 R430 Y431 R437	E429-K433 VanDerWaalsContact O-CB 3.25Å; E429-K433 WeakPolarHBondContact O-CB 3.39Å; E429-K433 VanDerWaalsContact O-CD 3.3Å; E429-K433 WeakPolarHBondContact O-CD 3.32Å; E429-K433 WeakPolarHBondContact O-CG 3.27Å; E429-K433 PolarHBondContact O-N 3.27Å; E429-K433 IonicContact OE2-NZ 3.38Å; E429-K433 PolarHBondContact OE2-NZ 3.13Å; R430-K433 PolarHBondContact O-N 3.21Å; Y431-K433 VanDerWaalsContact C-N 3.33Å; Y431-K433 PolarHBondContact O-N 3.43Å; K433-R437 VanDerWaalsContact O-CB 3.27Å; K433-R437 WeakPolarHBondContact O-CB 3.16Å; K433-R437 PolarHBondContact O-N 3.46Å
434	L	92.6	Very high	92.9	Very high	15 Å²	15	52.9 Å²	52.9	8%	0.079	24%	0.235	C	C	.	.	H	α-helix	trans	-73.1	-39.1	178.3	-70.9	173.3	0	0	0	112.5	R430 Y431 D432 R438 E511	R430-L434 HydrophobicContact CG-CD1 4.18Å; R430-L434 VanDerWaalsContact O-CG 3.31Å; R430-L434 WeakPolarHBondContact O-CG 3.48Å; R430-L434 PolarHBondContact O-N 3.35Å; R430-L434 VanDerWaalsContact O-N 3.08Å; Y431-L434 PolarHBondContact O-N 3.28Å; D432-L434 PolarHBondContact O-N 2.9Å; L434-R438 PolarHBondContact O-N 3.48Å; L434-R438 VanDerWaalsContact O-N 3.1Å; L434-E511 HydrophobicContact CD2-CG 4.11Å
435	V	92.7	Very high	92.5	Very high	6 Å²	6	52.9 Å²	52.9	4%	0.036	23%	0.234	C	C	.	.	H	α-helix	trans	-71.8	-44.7	178.1	169.9	0	0	0	0	111.7	Y431 D432 R437 R438 R439	Y431-V435 HydrophobicContact CD1-CG2 4.41Å; Y431-V435 HydrophobicContact CD2-CG2 4.16Å; Y431-V435 HydrophobicContact CE1-CG2 3.86Å; Y431-V435 HydrophobicContact CE2-CG2 3.6Å; Y431-V435 VanDerWaalsContact CZ-CG2 3.42Å; Y431-V435 PolarHBondContact O-N 2.93Å; D432-V435 PolarHBondContact O-N 2.99Å; V435-R437 VanDerWaalsContact C-N 3.28Å; V435-R437 PolarHBondContact O-N 2.91Å; V435-R438 WeakPolarHBondContact O-CB 3.3Å; V435-R438 PolarHBondContact O-N 3.41Å; V435-R439 HydrophobicContact CG1-CG 4.39Å; V435-R439 VanDerWaalsContact CG1-NE 3.32Å; V435-R439 WeakPolarHBondContact O-CG 3.29Å; V435-R439 PolarHBondContact O-N 3.19Å
436	E	92.4	Very high	92.1	Very high	100 Å²	100	49.4 Å²	49.4	47%	0.467	22%	0.22	S	C	.	.	H	α-helix	trans	-62.9	-39.9	178	-173.8	51.3	-144.6	0	0	111	D432 R438 R439 M440	D432-E436 WeakPolarHBondContact O-CB 3.35Å; D432-E436 PolarHBondContact O-N 3.48Å; E436-R438 VanDerWaalsContact C-N 3.35Å; E436-R438 PolarHBondContact O-N 3.18Å; E436-R439 PolarHBondContact O-N 3.41Å; E436-M440 WeakPolarHBondContact O-CB 3.23Å; E436-M440 WeakPolarHBondContact O-CG 3.19Å; E436-M440 PolarHBondContact O-N 2.76Å; E436-M440 WeakPolarHBondContact OE1-CG 3.42Å
437	R	91.3	Very high	91.7	Very high	49 Å²	49	50.9 Å²	50.9	19%	0.185	23%	0.228	C	C	.	.	H	α-helix	trans	-58.2	-43.2	171.2	-175.7	175.7	76.2	173.1	0.7	112.9	K433 V435 M440 D441 D508 E510	K433-R437 VanDerWaalsContact O-CB 3.27Å; K433-R437 WeakPolarHBondContact O-CB 3.16Å; K433-R437 PolarHBondContact O-N 3.46Å; V435-R437 VanDerWaalsContact C-N 3.28Å; V435-R437 PolarHBondContact O-N 2.91Å; R437-M440 PolarHBondContact O-N 2.95Å; R437-D441 WeakPolarHBondContact O-CB 3.46Å; R437-D441 PolarHBondContact O-N 3.19Å; R437-D508 IonicContact CZ-OD1 2.81Å; R437-D508 PolarHBondContact NH2-O 3.23Å; R437-D508 IonicContact NH2-OD1 2.91Å; R437-D508 PolarHBondContact NH2-OD1 3.45Å; R437-E510 VanDerWaalsContact CZ-O 3.26Å; R437-E510 PolarHBondContact NH1-O 3.32Å; R437-E510 PolarHBondContact NH2-O 3.08Å
438	R	90.7	Very high	91.3	Very high	43 Å²	43	53.8 Å²	53.8	16%	0.162	25%	0.247	C	C	.	.	H	α-helix	trans	-62.6	-43.3	176.1	176.3	-168	-57.5	165.2	-2.5	111.7	L434 V435 E436 D441 M442 D686 D735	L434-R438 PolarHBondContact O-N 3.48Å; L434-R438 VanDerWaalsContact O-N 3.1Å; V435-R438 WeakPolarHBondContact O-CB 3.3Å; V435-R438 PolarHBondContact O-N 3.41Å; E436-R438 VanDerWaalsContact C-N 3.35Å; E436-R438 PolarHBondContact O-N 3.18Å; R438-D441 PolarHBondContact O-N 3.33Å; R438-M442 WeakPolarHBondContact O-CB 3.43Å; R438-M442 PolarHBondContact O-N 3.42Å; R438-D686 IonicContact CZ-OD1 3.68Å; R438-D686 IonicContact CZ-OD2 3.95Å; R438-D686 IonicContact NH1-OD1 2.75Å; R438-D686 PolarHBondContact NH1-OD1 3.07Å; R438-D686 IonicContact NH1-OD2 3.06Å; R438-D686 VanDerWaalsContact NH2-CG 3.33Å; R438-D686 IonicContact NH2-OD1 3.43Å; R438-D686 PolarHBondContact NH2-OD1 2.83Å; R438-D686 IonicContact NH2-OD2 3.58Å; R438-D686 PolarHBondContact NH2-OD2 2.97Å; R438-D735 IonicContact CZ-OD2 3.38Å; R438-D735 IonicContact NH1-OD2 2.73Å; R438-D735 PolarHBondContact NH1-OD2 2.71Å
439	R	91.9	Very high	90.7	Very high	71 Å²	71	48.3 Å²	48.3	27%	0.268	23%	0.228	S	C	.	.	H	α-helix	trans	-66.5	-41.6	178	-69.6	173.1	-178.9	-175.3	0.8	111.7	V435 E436 M442 K443 E734 D735	V435-R439 HydrophobicContact CG1-CG 4.39Å; V435-R439 VanDerWaalsContact CG1-NE 3.32Å; V435-R439 WeakPolarHBondContact O-CG 3.29Å; V435-R439 PolarHBondContact O-N 3.19Å; E436-R439 PolarHBondContact O-N 3.41Å; R439-M442 WeakPolarHBondContact O-CB 3.26Å; R439-M442 PolarHBondContact O-N 3.04Å; R439-K443 WeakPolarHBondContact O-CB 3.34Å; R439-K443 PolarHBondContact O-N 3.42Å; R439-E734 IonicContact CZ-OE2 3.66Å; R439-E734 IonicContact NH1-OE2 2.8Å; R439-E734 PolarHBondContact NH1-OE2 3.04Å; R439-E734 VanDerWaalsContact NH2-CB 3.26Å; R439-E734 IonicContact NH2-OE2 3.39Å; R439-E734 PolarHBondContact NH2-OE2 3.35Å; R439-D735 IonicContact CZ-OD1 3.24Å; R439-D735 VanDerWaalsContact CZ-OD1 3.27Å; R439-D735 IonicContact NE-OD1 2.97Å; R439-D735 PolarHBondContact NE-OD1 2.75Å; R439-D735 IonicContact NH2-OD1 3.52Å; R439-D735 PolarHBondContact NH2-OD1 3.38Å
440	M	90.6	Very high	90	Very high	49 Å²	49	48.6 Å²	48.6	24%	0.241	24%	0.24	C	C	.	.	H	α-helix	trans	-66.4	-42.4	173.8	-74.6	-65.3	-72.1	0	0	112.6	E436 R437 M442 K443 D444	E436-M440 WeakPolarHBondContact O-CB 3.23Å; E436-M440 WeakPolarHBondContact O-CG 3.19Å; E436-M440 PolarHBondContact O-N 2.76Å; E436-M440 WeakPolarHBondContact OE1-CG 3.42Å; R437-M440 PolarHBondContact O-N 2.95Å; M440-M442 VanDerWaalsContact C-N 3.3Å; M440-M442 PolarHBondContact O-N 3.5Å; M440-K443 PolarHBondContact O-N 3.32Å; M440-K443 HydrophobicContact SD-CD 4.29Å; M440-D444 WeakPolarHBondContact O-CB 3.36Å; M440-D444 PolarHBondContact O-N 3.32Å
441	D	90.1	Very high	88.9	Confident	12 Å²	12	50.7 Å²	50.7	6%	0.064	25%	0.252	C	S	.	.	H	α-helix	trans	-60.2	-40	173	-81.5	-12.8	0	0	0	111.3	R437 R438 M445 R479 R482	R437-D441 WeakPolarHBondContact O-CB 3.46Å; R437-D441 PolarHBondContact O-N 3.19Å; R438-D441 PolarHBondContact O-N 3.33Å; D441-M445 WeakPolarHBondContact O-CE 3.25Å; D441-M445 WeakPolarHBondContact O-CG 3.28Å; D441-M445 PolarHBondContact O-N 2.98Å; D441-M445 VanDerWaalsContact O-N 3.14Å; D441-R479 VanDerWaalsContact CG-CD 3.48Å; D441-R482 IonicContact OD2-NH2 3.7Å; D441-R482 PolarHBondContact OD2-NH2 2.66Å
442	M	89.4	Confident	87.1	Confident	30 Å²	30	54.1 Å²	54.1	15%	0.148	28%	0.277	C	S	.	.	H	α-helix	trans	-65.5	-45.6	175.4	179.5	172.2	68.2	0	0	112.4	R438 R439 M440 M445 A446 F737 F756	R438-M442 WeakPolarHBondContact O-CB 3.43Å; R438-M442 PolarHBondContact O-N 3.42Å; R439-M442 WeakPolarHBondContact O-CB 3.26Å; R439-M442 PolarHBondContact O-N 3.04Å; M440-M442 VanDerWaalsContact C-N 3.3Å; M440-M442 PolarHBondContact O-N 3.5Å; M442-M445 PolarHBondContact O-N 2.85Å; M442-A446 PolarHBondContact O-N 3.38Å; M442-F737 HydrophobicContact CE-CB 4.3Å; M442-F737 HydrophobicContact SD-CB 3.74Å; M442-F737 HydrophobicContact SD-CD1 4.37Å; M442-F737 HydrophobicContact SD-CG 4.48Å; M442-F756 HydrophobicContact CG-CE2 4.15Å; M442-F756 HydrophobicContact CG-CZ 4.11Å
443	K	90.9	Very high	85.2	Confident	120 Å²	120	58.1 Å²	58.1	52%	0.522	30%	0.304	S	S	.	.	H	α-helix	trans	-62.3	-43.8	175.7	-177.2	178.2	178.5	-179.7	0	111.8	R439 M440 M445 A446 D447	R439-K443 WeakPolarHBondContact O-CB 3.34Å; R439-K443 PolarHBondContact O-N 3.42Å; M440-K443 PolarHBondContact O-N 3.32Å; M440-K443 HydrophobicContact SD-CD 4.29Å; K443-M445 VanDerWaalsContact C-N 3.31Å; K443-M445 PolarHBondContact O-N 3.45Å; K443-A446 PolarHBondContact O-N 2.81Å; K443-D447 WeakPolarHBondContact O-CB 3.41Å; K443-D447 VanDerWaalsContact O-CG 3.3Å; K443-D447 PolarHBondContact O-N 3.16Å
444	D	90.1	Very high	82.8	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-63.7	-35.6	178.4	-77.6	-20.7	0	0	0	112.3	M440 T448 R472 R475	M440-D444 WeakPolarHBondContact O-CB 3.36Å; M440-D444 PolarHBondContact O-N 3.32Å; D444-T448 WeakPolarHBondContact O-CB 3.45Å; D444-T448 PolarHBondContact O-N 3.44Å; D444-T448 PolarHBondContact O-OG1 3.16Å; D444-R472 HydrophobicContact CB-CG 4.27Å; D444-R472 WeakPolarHBondContact OD1-CG 3.34Å; D444-R472 IonicContact OD1-CZ 3.41Å; D444-R472 IonicContact OD1-NH1 2.78Å; D444-R472 PolarHBondContact OD1-NH1 2.91Å; D444-R475 IonicContact OD1-CZ 3.06Å; D444-R475 IonicContact OD1-NE 3.64Å; D444-R475 IonicContact OD1-NH2 3.73Å; D444-R475 PolarHBondContact OD1-NH2 3.35Å; D444-R475 IonicContact OD2-CZ 2.74Å; D444-R475 IonicContact OD2-NE 3.59Å; D444-R475 PolarHBondContact OD2-NE 3.05Å; D444-R475 IonicContact OD2-NH2 2.68Å; D444-R475 PolarHBondContact OD2-NH2 3.39Å
445	M	87.3	Confident	80.5	Confident	26 Å²	26	63.8 Å²	63.8	13%	0.128	35%	0.348	C	S	.	.	H	α-helix	trans	-70.5	-44.6	171.5	-69.5	-177.7	-69.1	0	0	112.5	D441 M442 K443 D447 T448 V449 F756 R759	D441-M445 WeakPolarHBondContact O-CE 3.25Å; D441-M445 WeakPolarHBondContact O-CG 3.28Å; D441-M445 PolarHBondContact O-N 2.98Å; D441-M445 VanDerWaalsContact O-N 3.14Å; M442-M445 PolarHBondContact O-N 2.85Å; K443-M445 VanDerWaalsContact C-N 3.31Å; K443-M445 PolarHBondContact O-N 3.45Å; M445-D447 PolarHBondContact O-N 3.39Å; M445-T448 WeakPolarHBondContact O-CB 3.5Å; M445-T448 PolarHBondContact O-N 3.26Å; M445-V449 PolarHBondContact O-N 3.12Å; M445-F756 HydrophobicContact CB-CD2 3.34Å; M445-F756 HydrophobicContact CB-CE2 3.59Å; M445-F756 HydrophobicContact CB-CG 4.13Å; M445-F756 HydrophobicContact CE-CD2 4.01Å; M445-F756 HydrophobicContact CE-CE2 3.97Å; M445-F756 HydrophobicContact CG-CD2 4.24Å; M445-F756 HydrophobicContact SD-CD2 4Å; M445-R759 VanDerWaalsContact SD-CD 3.59Å
446	A	88.5	Confident	78.2	Confident	21 Å²	21	66.3 Å²	66.3	17%	0.174	37%	0.366	C	S	.	.	H	α-helix	trans	-60	-46.9	178.3	0	0	0	0	0	112	M442 K443 T448 V449 S450 F756	M442-A446 PolarHBondContact O-N 3.38Å; K443-A446 PolarHBondContact O-N 2.81Å; A446-T448 VanDerWaalsContact C-N 3.26Å; A446-T448 PolarHBondContact O-N 3.01Å; A446-V449 WeakPolarHBondContact O-CB 3.47Å; A446-V449 PolarHBondContact O-N 2.86Å; A446-S450 PolarHBondContact O-N 2.93Å; A446-S450 VanDerWaalsContact O-N 3.11Å; A446-F756 HydrophobicContact CB-CE1 3.95Å; A446-F756 HydrophobicContact CB-CZ 3.87Å
447	D	87.5	Confident	76.1	Confident	46 Å²	46	66.8 Å²	66.8	25%	0.246	38%	0.375	C	S	.	.	H	α-helix	trans	-62.1	-33.4	177.2	-71.9	-20.1	0	0	0	112	K443 M445 V449 S450 Q451 R472	K443-D447 WeakPolarHBondContact O-CB 3.41Å; K443-D447 VanDerWaalsContact O-CG 3.3Å; K443-D447 PolarHBondContact O-N 3.16Å; M445-D447 PolarHBondContact O-N 3.39Å; D447-V449 VanDerWaalsContact C-N 3.25Å; D447-V449 PolarHBondContact O-N 2.86Å; D447-S450 PolarHBondContact O-N 3.43Å; D447-Q451 WeakPolarHBondContact O-CG 3.21Å; D447-Q451 PolarHBondContact O-N 3.02Å; D447-R472 VanDerWaalsContact CB-NH1 3.34Å; D447-R472 IonicContact OD2-CZ 2.71Å; D447-R472 IonicContact OD2-NH1 3.82Å; D447-R472 PolarHBondContact OD2-NH1 2.71Å; D447-R472 IonicContact OD2-NH2 3.92Å; D447-R472 PolarHBondContact OD2-NH2 2.9Å
448	T	85.2	Confident	74.3	Confident	71 Å²	71	69.7 Å²	69.7	44%	0.436	40%	0.402	S	S	.	.	H	α-helix	trans	-65.3	-28	174.9	-58.8	0	0	0	0	112.2	D444 M445 A446	D444-T448 WeakPolarHBondContact O-CB 3.45Å; D444-T448 PolarHBondContact O-N 3.44Å; D444-T448 PolarHBondContact O-OG1 3.16Å; M445-T448 WeakPolarHBondContact O-CB 3.5Å; M445-T448 PolarHBondContact O-N 3.26Å; A446-T448 VanDerWaalsContact C-N 3.26Å; A446-T448 PolarHBondContact O-N 3.01Å
449	V	83.9	Confident	72.7	Confident	22 Å²	22	72.2 Å²	72.2	13%	0.133	43%	0.432	C	S	.	.	H	α-helix	trans	-80	-34.5	173.3	-175.1	0	0	0	0	111.8	M445 A446 D447 Y741 P752 A753 F756	M445-V449 PolarHBondContact O-N 3.12Å; A446-V449 WeakPolarHBondContact O-CB 3.47Å; A446-V449 PolarHBondContact O-N 2.86Å; D447-V449 VanDerWaalsContact C-N 3.25Å; D447-V449 PolarHBondContact O-N 2.86Å; V449-Y741 HydrophobicContact CB-CE1 4.38Å; V449-Y741 HydrophobicContact CG1-CD1 4.34Å; V449-Y741 HydrophobicContact CG1-CE1 3.57Å; V449-Y741 HydrophobicContact CG1-CE2 4.37Å; V449-P752 HydrophobicContact CG2-CB 4.05Å; V449-A753 HydrophobicContact CG1-CB 3.61Å; V449-F756 HydrophobicContact CG2-CB 4.28Å; V449-F756 HydrophobicContact CG2-CD1 4.48Å
450	S	79.8	Confident	71.1	Confident	96 Å²	96	73.3 Å²	73.3	67%	0.671	45%	0.451	S	S	*	.	H	α-helix	trans	-79.6	-22.9	-179.5	-66.3	0	0	0	0	114.2	A446 D447 P452	A446-S450 PolarHBondContact O-N 2.93Å; A446-S450 VanDerWaalsContact O-N 3.11Å; D447-S450 PolarHBondContact O-N 3.43Å; S450-P452 WeakPolarHBondContact O-CD 3.16Å
451	Q	69.6	Low	70	Confident	93 Å²	93	74.6 Å²	74.6	44%	0.435	45%	0.453	S	S	.	.	S	Bend	trans	-70.4	120.2	172.5	-65.9	-112.6	-34.5	0	0	109.4	D447	D447-Q451 WeakPolarHBondContact O-CG 3.21Å; D447-Q451 PolarHBondContact O-N 3.02Å
452	P	55.5	Low	69.4	Low	91 Å²	91	77.2 Å²	77.2	59%	0.591	47%	0.469	S	S	*	.			trans	-65.9	141.2	176.9	30	-35.6	0	0	0	109.6	S450 I454	S450-P452 WeakPolarHBondContact O-CD 3.16Å; P452-I454 HydrophobicContact CB-CD1 3.88Å; P452-I454 HydrophobicContact CB-CG1 4Å; P452-I454 HydrophobicContact CG-CD1 3.81Å; P452-I454 HydrophobicContact CG-CG1 4.25Å; P452-I454 PolarHBondContact O-N 2.7Å
453	T	54.7	Low	68.9	Low	147 Å²	147	80.6 Å²	80.6	90%	0.902	49%	0.493	S	S	*	.			trans	-72.3	65.5	177.5	53.3	0	0	0	0	111
454	I	44.1	Very low	68.5	Low	123 Å²	123	81.6 Å²	81.6	63%	0.631	50%	0.5	S	S	*	.			trans	-107.4	125.2	178.5	-61	172.8	0	0	0	107.1	P452 S456	P452-I454 HydrophobicContact CB-CD1 3.88Å; P452-I454 HydrophobicContact CB-CG1 4Å; P452-I454 HydrophobicContact CG-CD1 3.81Å; P452-I454 HydrophobicContact CG-CG1 4.25Å; P452-I454 PolarHBondContact O-N 2.7Å; I454-S456 PolarHBondContact O-N 2.84Å
455	S	44.9	Very low	68	Low	123 Å²	123	86.1 Å²	86.1	86%	0.86	52%	0.521	S	S	*	.			trans	-66.8	43.5	170.9	-50	0	0	0	0	112.7	T457	S455-T457 PolarHBondContact O-N 2.91Å
456	S	44	Very low	67.7	Low	60 Å²	60	87.8 Å²	87.8	42%	0.42	53%	0.533	S	S	.	.			trans	-63	110.4	178.7	179.7	0	0	0	0	108	I454	I454-S456 PolarHBondContact O-N 2.84Å
457	T	47.3	Very low	67.6	Low	109 Å²	109	93.9 Å²	93.9	67%	0.669	56%	0.555	S	S	*	*			trans	-50.9	141.2	173.7	46.1	0	0	0	0	109.5	S455 A459	S455-T457 PolarHBondContact O-N 2.91Å; T457-A459 PolarHBondContact O-N 3.26Å
458	C	54.7	Low	67.4	Low	111 Å²	111	97.3 Å²	97.3	75%	0.75	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-65.2	12.1	-171.9	-67.7	0	0	0	0	115.5
459	A	55.8	Low	67.2	Low	95 Å²	95	98 Å²	98	79%	0.785	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-85.1	-10.6	-170.1	0	0	0	0	0	115.2	T457	T457-A459 PolarHBondContact O-N 3.26Å
460	S	59.3	Low	67.2	Low	94 Å²	94	100.5 Å²	100.5	66%	0.657	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-116.5	9.7	-175.5	79.7	0	0	0	0	115.4
461	R	68	Low	67.6	Low	76 Å²	76	97.7 Å²	97.7	29%	0.287	56%	0.563	S	S	.	*			trans	-92.2	141	179.9	-70.9	-176.9	-179.7	-175.9	-3.5	110.9	E465 V466	R461-E465 VanDerWaalsContact CA-OE2 3.24Å; R461-E465 WeakPolarHBondContact CA-OE2 3.23Å; R461-E465 HydrophobicContact CB-CB 4.12Å; R461-V466 HydrophobicContact CB-CG2 3.77Å
462	T	77.5	Confident	68.4	Low	67 Å²	67	95.6 Å²	95.6	41%	0.411	55%	0.551	S	S	.	*			trans	-66.2	155.8	173.1	71.9	0	0	0	0	110.4	E464 E465 V466	T462-E464 PolarHBondContact O-N 3Å; T462-E464 VanDerWaalsContact O-N 3.1Å; T462-E465 PolarHBondContact N-OE2 2.98Å; T462-E465 PolarHBondContact O-N 3.1Å; T462-E465 VanDerWaalsContact O-N 3.1Å; T462-E465 WeakPolarHBondContact OG1-CG 3.21Å; T462-E465 PolarHBondContact OG1-N 3.27Å; T462-E465 VanDerWaalsContact OG1-N 3.16Å; T462-V466 WeakPolarHBondContact O-CG2 3.12Å; T462-V466 PolarHBondContact O-N 2.89Å
463	P	78.8	Confident	69.9	Low	101 Å²	101	98.2 Å²	98.2	66%	0.656	55%	0.549	S	S	*	.	H	α-helix	trans	-55.1	-29.3	175.9	-27.7	36.2	0	0	0	113.6	K467	P463-K467 VanDerWaalsContact O-CG 3.32Å; P463-K467 WeakPolarHBondContact O-CG 3.45Å; P463-K467 PolarHBondContact O-N 3.47Å; P463-K467 VanDerWaalsContact O-N 3.15Å
464	E	81	Confident	71.6	Confident	141 Å²	141	98 Å²	98	66%	0.659	54%	0.535	S	S	*	.	H	α-helix	trans	-74.5	-43.9	175.8	-61	-171.6	152.8	0	0	112.6	T462 V466 K467 L468	T462-E464 PolarHBondContact O-N 3Å; T462-E464 VanDerWaalsContact O-N 3.1Å; E464-V466 VanDerWaalsContact C-N 3.26Å; E464-V466 PolarHBondContact O-N 2.92Å; E464-K467 PolarHBondContact O-N 2.85Å; E464-L468 WeakPolarHBondContact O-CB 3.44Å; E464-L468 WeakPolarHBondContact O-CG 3.46Å; E464-L468 PolarHBondContact O-N 2.97Å
465	E	80.2	Confident	73.7	Confident	96 Å²	96	96 Å²	96	45%	0.449	52%	0.52	S	S	.	.	H	α-helix	trans	-60	-37.8	174	-74.7	174.7	161.9	0	0	112	R461 T462 F469	R461-E465 VanDerWaalsContact CA-OE2 3.24Å; R461-E465 WeakPolarHBondContact CA-OE2 3.23Å; R461-E465 HydrophobicContact CB-CB 4.12Å; T462-E465 PolarHBondContact N-OE2 2.98Å; T462-E465 PolarHBondContact O-N 3.1Å; T462-E465 VanDerWaalsContact O-N 3.1Å; T462-E465 WeakPolarHBondContact OG1-CG 3.21Å; T462-E465 PolarHBondContact OG1-N 3.27Å; T462-E465 VanDerWaalsContact OG1-N 3.16Å; E465-F469 VanDerWaalsContact O-CB 3.23Å; E465-F469 WeakPolarHBondContact O-CB 3.13Å; E465-F469 PolarHBondContact O-N 2.84Å
466	V	81.2	Confident	75.7	Confident	60 Å²	60	91.2 Å²	91.2	36%	0.364	49%	0.487	S	S	.	.	H	α-helix	trans	-63.3	-50.8	173.6	177.5	0	0	0	0	110.2	R461 T462 E464 L468 F469 E470	R461-V466 HydrophobicContact CB-CG2 3.77Å; T462-V466 WeakPolarHBondContact O-CG2 3.12Å; T462-V466 PolarHBondContact O-N 2.89Å; E464-V466 VanDerWaalsContact C-N 3.26Å; E464-V466 PolarHBondContact O-N 2.92Å; V466-L468 VanDerWaalsContact C-N 3.34Å; V466-L468 PolarHBondContact O-N 2.88Å; V466-F469 PolarHBondContact O-N 3.42Å; V466-E470 HydrophobicContact CG1-CG 4.36Å; V466-E470 WeakPolarHBondContact O-CG 3.43Å; V466-E470 PolarHBondContact O-N 2.79Å
467	K	85.9	Confident	77.8	Confident	149 Å²	149	91 Å²	91	65%	0.648	49%	0.489	S	S	*	.	H	α-helix	trans	-56	-45.4	175.9	-74.2	171.8	-178.8	179.9	0	112.3	P463 E464 E470 A471	P463-K467 VanDerWaalsContact O-CG 3.32Å; P463-K467 WeakPolarHBondContact O-CG 3.45Å; P463-K467 PolarHBondContact O-N 3.47Å; P463-K467 VanDerWaalsContact O-N 3.15Å; E464-K467 PolarHBondContact O-N 2.85Å; K467-E470 PolarHBondContact O-N 3.07Å; K467-A471 WeakPolarHBondContact O-CB 3.26Å; K467-A471 PolarHBondContact O-N 3.27Å
468	L	83.6	Confident	79.8	Confident	118 Å²	118	90 Å²	90	62%	0.618	48%	0.477	S	S	*	.	H	α-helix	trans	-64.4	-42.1	178.4	-73.8	167.1	0	0	0	112.1	E464 V466 A471 R472	E464-L468 WeakPolarHBondContact O-CB 3.44Å; E464-L468 WeakPolarHBondContact O-CG 3.46Å; E464-L468 PolarHBondContact O-N 2.97Å; V466-L468 VanDerWaalsContact C-N 3.34Å; V466-L468 PolarHBondContact O-N 2.88Å; L468-A471 PolarHBondContact O-N 3.38Å; L468-R472 WeakPolarHBondContact O-CB 3.42Å; L468-R472 PolarHBondContact O-N 3.48Å
469	F	80.7	Confident	81.3	Confident	86 Å²	86	86.2 Å²	86.2	38%	0.377	45%	0.446	S	S	.	.	H	α-helix	trans	-66.5	-40.2	176.2	-175.7	-97.8	0	0	0	112	E465 V466 R472 R473	E465-F469 VanDerWaalsContact O-CB 3.23Å; E465-F469 WeakPolarHBondContact O-CB 3.13Å; E465-F469 PolarHBondContact O-N 2.84Å; V466-F469 PolarHBondContact O-N 3.42Å; F469-R472 PolarHBondContact O-N 2.79Å; F469-R473 WeakPolarHBondContact O-CB 3.25Å; F469-R473 PolarHBondContact O-N 3.21Å
470	E	85.4	Confident	82.7	Confident	75 Å²	75	84.5 Å²	84.5	35%	0.35	42%	0.422	S	S	.	.	H	α-helix	trans	-66.1	-42.2	174	-69	-140.3	124.6	0	0	112.7	V466 K467 R473 K474	V466-E470 HydrophobicContact CG1-CG 4.36Å; V466-E470 WeakPolarHBondContact O-CG 3.43Å; V466-E470 PolarHBondContact O-N 2.79Å; K467-E470 PolarHBondContact O-N 3.07Å; E470-R473 PolarHBondContact O-N 3.01Å; E470-R473 IonicContact OE1-NH2 3.98Å; E470-R473 PolarHBondContact OE1-NH2 3.01Å; E470-K474 WeakPolarHBondContact O-CG 3.43Å; E470-K474 PolarHBondContact O-N 3.43Å
471	A	87.2	Confident	84.1	Confident	37 Å²	37	82.9 Å²	82.9	31%	0.306	41%	0.411	S	S	.	.	H	α-helix	trans	-61.6	-44.7	175.4	0	0	0	0	0	111.3	K467 L468 K474 R475	K467-A471 WeakPolarHBondContact O-CB 3.26Å; K467-A471 PolarHBondContact O-N 3.27Å; L468-A471 PolarHBondContact O-N 3.38Å; A471-K474 PolarHBondContact O-N 3.42Å; A471-R475 WeakPolarHBondContact O-CG 3.19Å; A471-R475 PolarHBondContact O-N 3.46Å
472	R	87	Confident	85.1	Confident	48 Å²	48	80 Å²	80	18%	0.181	40%	0.4	C	S	.	.	H	α-helix	trans	-57.6	-47.8	171.4	-176.3	-175.2	-48.9	-91	24.4	111.6	D444 D447 L468 F469 K474 R475 C476	D444-R472 HydrophobicContact CB-CG 4.27Å; D444-R472 WeakPolarHBondContact OD1-CG 3.34Å; D444-R472 IonicContact OD1-CZ 3.41Å; D444-R472 IonicContact OD1-NH1 2.78Å; D444-R472 PolarHBondContact OD1-NH1 2.91Å; D447-R472 VanDerWaalsContact CB-NH1 3.34Å; D447-R472 IonicContact OD2-CZ 2.71Å; D447-R472 IonicContact OD2-NH1 3.82Å; D447-R472 PolarHBondContact OD2-NH1 2.71Å; D447-R472 IonicContact OD2-NH2 3.92Å; D447-R472 PolarHBondContact OD2-NH2 2.9Å; L468-R472 WeakPolarHBondContact O-CB 3.42Å; L468-R472 PolarHBondContact O-N 3.48Å; F469-R472 PolarHBondContact O-N 2.79Å; R472-K474 VanDerWaalsContact C-N 3.35Å; R472-K474 PolarHBondContact O-N 3.44Å; R472-R475 PolarHBondContact O-N 3.07Å; R472-C476 WeakPolarHBondContact O-CB 3.26Å; R472-C476 PolarHBondContact O-N 2.89Å
473	R	86.3	Confident	85.5	Confident	146 Å²	146	80.2 Å²	80.2	55%	0.551	39%	0.393	S	S	*	.	H	α-helix	trans	-58.7	-44.2	177.8	-177.3	174.1	65.6	148.4	-6	111.7	F469 E470 C476 A477	F469-R473 WeakPolarHBondContact O-CB 3.25Å; F469-R473 PolarHBondContact O-N 3.21Å; E470-R473 PolarHBondContact O-N 3.01Å; E470-R473 IonicContact OE1-NH2 3.98Å; E470-R473 PolarHBondContact OE1-NH2 3.01Å; R473-C476 PolarHBondContact O-N 2.9Å; R473-A477 WeakPolarHBondContact O-CB 3.28Å; R473-A477 PolarHBondContact O-N 3.04Å
474	K	90.1	Very high	85.8	Confident	142 Å²	142	78.6 Å²	78.6	62%	0.617	38%	0.378	S	S	*	.	H	α-helix	trans	-61.9	-49	176	-73.3	174.5	-179	176.1	0	111.6	E470 A471 R472 C476 A477 E478	E470-K474 WeakPolarHBondContact O-CG 3.43Å; E470-K474 PolarHBondContact O-N 3.43Å; A471-K474 PolarHBondContact O-N 3.42Å; R472-K474 VanDerWaalsContact C-N 3.35Å; R472-K474 PolarHBondContact O-N 3.44Å; K474-C476 PolarHBondContact O-N 2.88Å; K474-A477 PolarHBondContact O-N 2.86Å; K474-E478 WeakPolarHBondContact O-CB 3.31Å; K474-E478 PolarHBondContact O-N 2.9Å
475	R	89.3	Confident	86.1	Confident	81 Å²	81	78.5 Å²	78.5	31%	0.306	37%	0.372	S	S	.	.	H	α-helix	trans	-60.4	-44.1	176.3	-70.4	-169.9	-54.7	-96.4	0.1	112.5	D444 A471 R472 A477 E478 R479	D444-R475 IonicContact OD1-CZ 3.06Å; D444-R475 IonicContact OD1-NE 3.64Å; D444-R475 IonicContact OD1-NH2 3.73Å; D444-R475 PolarHBondContact OD1-NH2 3.35Å; D444-R475 IonicContact OD2-CZ 2.74Å; D444-R475 IonicContact OD2-NE 3.59Å; D444-R475 PolarHBondContact OD2-NE 3.05Å; D444-R475 IonicContact OD2-NH2 2.68Å; D444-R475 PolarHBondContact OD2-NH2 3.39Å; A471-R475 WeakPolarHBondContact O-CG 3.19Å; A471-R475 PolarHBondContact O-N 3.46Å; R472-R475 PolarHBondContact O-N 3.07Å; R475-A477 PolarHBondContact O-N 3.31Å; R475-E478 PolarHBondContact O-N 3.45Å; R475-R479 WeakPolarHBondContact O-CB 3.43Å; R475-R479 PolarHBondContact O-N 3.03Å
476	C	86.6	Confident	86.4	Confident	24 Å²	24	75.3 Å²	75.3	16%	0.162	36%	0.356	C	S	.	.	H	α-helix	trans	-61.9	-41.7	176.8	-80.2	0	0	0	0	113.1	R472 R473 K474 R479 E480	R472-C476 WeakPolarHBondContact O-CB 3.26Å; R472-C476 PolarHBondContact O-N 2.89Å; R473-C476 PolarHBondContact O-N 2.9Å; K474-C476 PolarHBondContact O-N 2.88Å; C476-R479 PolarHBondContact SG-NH2 3.21Å; C476-R479 VanDerWaalsContact SG-NH2 3.38Å; C476-E480 PolarHBondContact O-N 3.31Å
477	A	88.7	Confident	86.5	Confident	56 Å²	56	76.7 Å²	76.7	46%	0.463	36%	0.358	S	S	.	.	H	α-helix	trans	-66.5	-40.4	176.4	0	0	0	0	0	112.1	R473 K474 R475 E480 S481	R473-A477 WeakPolarHBondContact O-CB 3.28Å; R473-A477 PolarHBondContact O-N 3.04Å; K474-A477 PolarHBondContact O-N 2.86Å; R475-A477 PolarHBondContact O-N 3.31Å; A477-E480 PolarHBondContact O-N 3.16Å; A477-S481 WeakPolarHBondContact O-CB 3.1Å; A477-S481 PolarHBondContact O-N 3.24Å; A477-S481 PolarHBondContact O-OG 2.97Å
478	E	88.9	Confident	86.5	Confident	88 Å²	88	77.3 Å²	77.3	41%	0.411	36%	0.356	S	S	.	.	H	α-helix	trans	-66.6	-44.5	176.2	169	48.2	-147	0	0	111.8	K474 R475 E480 S481 R482	K474-E478 WeakPolarHBondContact O-CB 3.31Å; K474-E478 PolarHBondContact O-N 2.9Å; R475-E478 PolarHBondContact O-N 3.45Å; E478-E480 VanDerWaalsContact C-N 3.34Å; E478-E480 PolarHBondContact O-N 2.98Å; E478-S481 WeakPolarHBondContact O-CB 3.45Å; E478-S481 PolarHBondContact O-N 3.26Å; E478-S481 VanDerWaalsContact O-N 3.17Å; E478-R482 PolarHBondContact O-N 3.33Å; E478-R482 WeakPolarHBondContact OE1-CG 3.45Å; E478-R482 IonicContact OE1-CZ 3.67Å; E478-R482 IonicContact OE1-NH1 3.14Å; E478-R482 PolarHBondContact OE1-NH1 3.42Å
479	R	86.6	Confident	86.6	Confident	30 Å²	30	73.8 Å²	73.8	11%	0.113	35%	0.345	C	S	.	.	H	α-helix	trans	-55.9	-45.5	171.3	175.1	-172.4	50.1	60.1	-2.1	112.2	D441 R475 C476 S481 R483	D441-R479 VanDerWaalsContact CG-CD 3.48Å; R475-R479 WeakPolarHBondContact O-CB 3.43Å; R475-R479 PolarHBondContact O-N 3.03Å; C476-R479 PolarHBondContact SG-NH2 3.21Å; C476-R479 VanDerWaalsContact SG-NH2 3.38Å; R479-S481 VanDerWaalsContact C-N 3.35Å; R479-R483 PolarHBondContact O-N 2.86Å
480	E	85.2	Confident	86.7	Confident	60 Å²	60	73.3 Å²	73.3	28%	0.28	34%	0.34	S	S	.	.	H	α-helix	trans	-69.6	-34.9	178.3	-155.9	62.2	-151.1	0	0	111.6	C476 A477 E478 R483 I484	C476-E480 PolarHBondContact O-N 3.31Å; A477-E480 PolarHBondContact O-N 3.16Å; E478-E480 VanDerWaalsContact C-N 3.34Å; E478-E480 PolarHBondContact O-N 2.98Å; E480-R483 WeakPolarHBondContact O-CB 3.33Å; E480-R483 PolarHBondContact O-N 2.67Å; E480-R483 WeakPolarHBondContact OE1-CD 3.43Å; E480-R483 IonicContact OE1-CZ 2.67Å; E480-R483 IonicContact OE1-NE 2.82Å; E480-R483 IonicContact OE1-NH1 3.69Å; E480-R483 PolarHBondContact OE1-NH1 3.31Å; E480-R483 IonicContact OE2-NH1 3.49Å; E480-I484 HydrophobicContact CG-CD1 4.22Å; E480-I484 VanDerWaalsContact O-CG1 3.31Å; E480-I484 WeakPolarHBondContact O-CG1 3.33Å; E480-I484 PolarHBondContact O-N 2.77Å
481	S	88.3	Confident	86.5	Confident	59 Å²	59	74.7 Å²	74.7	41%	0.413	35%	0.347	S	S	.	.	H	α-helix	trans	-61.7	-45.3	174.2	-60.1	0	0	0	0	112	A477 E478 R479 I484 R485	A477-S481 WeakPolarHBondContact O-CB 3.1Å; A477-S481 PolarHBondContact O-N 3.24Å; A477-S481 PolarHBondContact O-OG 2.97Å; E478-S481 WeakPolarHBondContact O-CB 3.45Å; E478-S481 PolarHBondContact O-N 3.26Å; E478-S481 VanDerWaalsContact O-N 3.17Å; R479-S481 VanDerWaalsContact C-N 3.35Å; S481-I484 PolarHBondContact O-N 3.21Å; S481-R485 WeakPolarHBondContact O-CB 3.35Å; S481-R485 PolarHBondContact O-N 3Å
482	R	89.6	Confident	86.4	Confident	15 Å²	15	79.7 Å²	79.7	6%	0.057	37%	0.368	C	S	.	.	H	α-helix	trans	-60.1	-43.2	171.1	-67.5	-164.8	-62.2	-91.9	0.4	112.1	D441 E478 R485 R486 D508	D441-R482 IonicContact OD2-NH2 3.7Å; D441-R482 PolarHBondContact OD2-NH2 2.66Å; E478-R482 PolarHBondContact O-N 3.33Å; E478-R482 WeakPolarHBondContact OE1-CG 3.45Å; E478-R482 IonicContact OE1-CZ 3.67Å; E478-R482 IonicContact OE1-NH1 3.14Å; E478-R482 PolarHBondContact OE1-NH1 3.42Å; R482-R485 WeakPolarHBondContact O-CB 3.38Å; R482-R485 PolarHBondContact O-N 2.82Å; R482-R486 WeakPolarHBondContact O-CG 3.36Å; R482-R486 PolarHBondContact O-N 3.24Å; R482-D508 IonicContact CZ-OD2 3.94Å; R482-D508 IonicContact NE-OD1 2.64Å; R482-D508 PolarHBondContact NE-OD1 2.79Å; R482-D508 IonicContact NE-OD2 3.31Å; R482-D508 PolarHBondContact NE-OD2 3.5Å; R482-D508 IonicContact NH2-OD2 3.58Å
483	R	85.1	Confident	86.1	Confident	72 Å²	72	84.5 Å²	84.5	27%	0.272	39%	0.392	S	S	.	.	H	α-helix	trans	-61.9	-45.6	178.2	-170.4	-166	-174.8	-164.1	0.8	112.2	R479 E480 R485 R486 Q487 D503	R479-R483 PolarHBondContact O-N 2.86Å; E480-R483 WeakPolarHBondContact O-CB 3.33Å; E480-R483 PolarHBondContact O-N 2.67Å; E480-R483 WeakPolarHBondContact OE1-CD 3.43Å; E480-R483 IonicContact OE1-CZ 2.67Å; E480-R483 IonicContact OE1-NE 2.82Å; E480-R483 IonicContact OE1-NH1 3.69Å; E480-R483 PolarHBondContact OE1-NH1 3.31Å; E480-R483 IonicContact OE2-NH1 3.49Å; R483-R485 VanDerWaalsContact C-N 3.34Å; R483-R486 PolarHBondContact O-N 3.24Å; R483-Q487 PolarHBondContact O-N 3.32Å; R483-D503 IonicContact CZ-OD1 3.68Å; R483-D503 IonicContact CZ-OD2 3.31Å; R483-D503 IonicContact NE-OD1 2.74Å; R483-D503 IonicContact NE-OD2 3.08Å; R483-D503 IonicContact NH2-OD1 2.84Å; R483-D503 IonicContact NH2-OD2 3.13Å; R483-D503 PolarHBondContact NH2-OD2 2.88Å
484	I	85.2	Confident	85.5	Confident	67 Å²	67	82 Å²	82	34%	0.344	39%	0.39	S	S	.	.	H	α-helix	trans	-63.6	-40.2	176.9	-68.9	165.7	0	0	0	110.5	E480 S481 Q487 R488	E480-I484 HydrophobicContact CG-CD1 4.22Å; E480-I484 VanDerWaalsContact O-CG1 3.31Å; E480-I484 WeakPolarHBondContact O-CG1 3.33Å; E480-I484 PolarHBondContact O-N 2.77Å; S481-I484 PolarHBondContact O-N 3.21Å; I484-Q487 PolarHBondContact O-N 3.09Å; I484-R488 HydrophobicContact CG2-CG 4.45Å; I484-R488 WeakPolarHBondContact O-CG 3.47Å; I484-R488 PolarHBondContact O-N 3.49Å
485	R	87.4	Confident	84.7	Confident	139 Å²	139	80 Å²	80	53%	0.525	39%	0.391	S	S	.	.	H	α-helix	trans	-58.9	-49.3	174.2	-168.4	-174.5	-65	140.5	-6.8	111.5	S481 R482 R483 Q487 R488 A489 E510	S481-R485 WeakPolarHBondContact O-CB 3.35Å; S481-R485 PolarHBondContact O-N 3Å; R482-R485 WeakPolarHBondContact O-CB 3.38Å; R482-R485 PolarHBondContact O-N 2.82Å; R483-R485 VanDerWaalsContact C-N 3.34Å; R485-Q487 VanDerWaalsContact C-N 3.33Å; R485-Q487 PolarHBondContact O-N 3.3Å; R485-R488 PolarHBondContact O-N 2.96Å; R485-A489 WeakPolarHBondContact O-CB 3.43Å; R485-A489 PolarHBondContact O-N 3.27Å; R485-E510 WeakPolarHBondContact CD-OE2 3.21Å; R485-E510 IonicContact CZ-OE2 2.74Å; R485-E510 IonicContact NE-OE2 2.86Å; R485-E510 IonicContact NH1-OE2 3.96Å; R485-E510 PolarHBondContact NH1-OE2 2.74Å
486	R	85.8	Confident	83.8	Confident	29 Å²	29	83.6 Å²	83.6	11%	0.109	42%	0.416	C	S	.	.	H	α-helix	trans	-60.4	-38.4	174.5	-70.5	-168.1	-79.1	-86.2	9.7	113.7	R482 R483 R490 S506 D508 E510	R482-R486 WeakPolarHBondContact O-CG 3.36Å; R482-R486 PolarHBondContact O-N 3.24Å; R483-R486 PolarHBondContact O-N 3.24Å; R486-R490 PolarHBondContact O-N 2.9Å; R486-R490 PolarHBondContact O-NE 3.07Å; R486-S506 VanDerWaalsContact CD-OG 3.32Å; R486-S506 WeakPolarHBondContact CD-OG 3.35Å; R486-S506 PolarHBondContact NE-OG 3.03Å; R486-D508 VanDerWaalsContact CZ-CG 3.44Å; R486-D508 IonicContact CZ-OD1 3.82Å; R486-D508 IonicContact CZ-OD2 2.61Å; R486-D508 IonicContact NH1-OD1 2.82Å; R486-D508 PolarHBondContact NH1-OD1 3.34Å; R486-D508 IonicContact NH1-OD2 2.67Å; R486-D508 PolarHBondContact NH1-OD2 3.04Å; R486-D508 IonicContact NH2-OD1 3.33Å; R486-D508 IonicContact NH2-OD2 2.83Å; R486-D508 PolarHBondContact NH2-OD2 3.17Å; R486-E510 WeakPolarHBondContact CG-OE1 3.28Å; R486-E510 IonicContact NH1-OE1 3.1Å
487	Q	83.1	Confident	82.8	Confident	90 Å²	90	85.9 Å²	85.9	42%	0.421	43%	0.429	S	S	.	.	H	α-helix	trans	-64.8	-52.5	177.4	176.8	171.6	-12.2	0	0	110.9	R483 I484 R485 A489 R490 E491	R483-Q487 PolarHBondContact O-N 3.32Å; I484-Q487 PolarHBondContact O-N 3.09Å; R485-Q487 VanDerWaalsContact C-N 3.33Å; R485-Q487 PolarHBondContact O-N 3.3Å; Q487-A489 VanDerWaalsContact C-N 3.28Å; Q487-A489 PolarHBondContact O-N 3.43Å; Q487-R490 PolarHBondContact O-N 3.17Å; Q487-E491 HydrophobicContact CG-CG 4.43Å; Q487-E491 WeakPolarHBondContact CG-OE1 3.42Å; Q487-E491 PolarHBondContact NE2-OE1 3.47Å; Q487-E491 WeakPolarHBondContact O-CG 3.31Å; Q487-E491 PolarHBondContact O-N 3.26Å
488	R	86.2	Confident	81.4	Confident	161 Å²	161	91 Å²	91	61%	0.608	45%	0.447	S	S	*	.	H	α-helix	trans	-57.7	-40.1	176.7	-69.4	177	-174.8	173.8	3.1	112.4	I484 R485 R490 E491 L492	I484-R488 HydrophobicContact CG2-CG 4.45Å; I484-R488 WeakPolarHBondContact O-CG 3.47Å; I484-R488 PolarHBondContact O-N 3.49Å; R485-R488 PolarHBondContact O-N 2.96Å; R488-R490 VanDerWaalsContact C-N 3.29Å; R488-R490 PolarHBondContact O-N 3.06Å; R488-E491 PolarHBondContact O-N 2.92Å; R488-L492 WeakPolarHBondContact O-CB 3.43Å; R488-L492 WeakPolarHBondContact O-CD1 3.21Å; R488-L492 WeakPolarHBondContact O-CG 3.47Å; R488-L492 PolarHBondContact O-N 3.06Å
489	A	85.4	Confident	80.1	Confident	45 Å²	45	94.4 Å²	94.4	37%	0.372	46%	0.463	S	S	.	.	H	α-helix	trans	-61.1	-35.6	176.7	0	0	0	0	0	112.9	R485 Q487 Q493	R485-A489 WeakPolarHBondContact O-CB 3.43Å; R485-A489 PolarHBondContact O-N 3.27Å; Q487-A489 VanDerWaalsContact C-N 3.28Å; Q487-A489 PolarHBondContact O-N 3.43Å; A489-Q493 WeakPolarHBondContact O-CG 3.35Å; A489-Q493 PolarHBondContact O-N 2.87Å
490	R	83.1	Confident	79	Confident	76 Å²	76	99.1 Å²	99.1	29%	0.287	50%	0.495	S	S	.	.	H	α-helix	trans	-75.3	-40.8	175	-72.8	178.8	-71.1	-118	3.7	112.6	R486 Q487 R488 L492 Q493 N494 H501 S506	R486-R490 PolarHBondContact O-N 2.9Å; R486-R490 PolarHBondContact O-NE 3.07Å; Q487-R490 PolarHBondContact O-N 3.17Å; R488-R490 VanDerWaalsContact C-N 3.29Å; R488-R490 PolarHBondContact O-N 3.06Å; R490-L492 VanDerWaalsContact C-N 3.26Å; R490-L492 PolarHBondContact O-N 3.18Å; R490-Q493 PolarHBondContact O-N 3.49Å; R490-Q493 VanDerWaalsContact O-N 3.16Å; R490-N494 PolarHBondContact O-N 3.32Å; R490-H501 PolarHBondContact NH1-CD2 3.43Å; R490-H501 VanDerWaalsContact NH1-CD2 3.33Å; R490-H501 PolarHBondContact NH1-NE2 3.03Å; R490-H501 PolarHBondContact NH2-CD2 3.48Å; R490-S506 PolarHBondContact NH1-OG 3.46Å
491	E	82.3	Confident	78.4	Confident	103 Å²	103	99 Å²	99	48%	0.481	49%	0.494	S	S	.	.	H	α-helix	trans	-60.3	-36.8	174.7	-69.6	164.5	175.5	0	0	111.4	Q487 R488	Q487-E491 HydrophobicContact CG-CG 4.43Å; Q487-E491 WeakPolarHBondContact CG-OE1 3.42Å; Q487-E491 PolarHBondContact NE2-OE1 3.47Å; Q487-E491 WeakPolarHBondContact O-CG 3.31Å; Q487-E491 PolarHBondContact O-N 3.26Å; R488-E491 PolarHBondContact O-N 2.92Å
492	L	84.8	Confident	77.9	Confident	143 Å²	143	99.6 Å²	99.6	75%	0.749	50%	0.495	S	S	*	.	H	α-helix	trans	-69.3	-37.1	172.9	-77.5	161.8	0	0	0	113.6	R488 R490	R488-L492 WeakPolarHBondContact O-CB 3.43Å; R488-L492 WeakPolarHBondContact O-CD1 3.21Å; R488-L492 WeakPolarHBondContact O-CG 3.47Å; R488-L492 PolarHBondContact O-N 3.06Å; R490-L492 VanDerWaalsContact C-N 3.26Å; R490-L492 PolarHBondContact O-N 3.18Å
493	Q	80.2	Confident	77.5	Confident	149 Å²	149	100.3 Å²	100.3	70%	0.696	50%	0.5	S	S	*	.	H	α-helix	trans	-75.5	-36.1	-179.8	-78.2	178.6	-12.5	0	0	113	A489 R490	A489-Q493 WeakPolarHBondContact O-CG 3.35Å; A489-Q493 PolarHBondContact O-N 2.87Å; R490-Q493 PolarHBondContact O-N 3.49Å; R490-Q493 VanDerWaalsContact O-N 3.16Å
494	N	74.5	Confident	77.3	Confident	94 Å²	94	97.3 Å²	97.3	50%	0.503	49%	0.492	S	S	.	.			trans	-130.9	66.6	-175.9	-74.2	-44.1	0	0	0	112.1	R490 N496 V497	R490-N494 PolarHBondContact O-N 3.32Å; N494-N496 PolarHBondContact O-N 2.93Å; N494-N496 VanDerWaalsContact O-N 3.13Å; N494-V497 HydrophobicContact CB-CB 4.22Å; N494-V497 HydrophobicContact CB-CG2 4.47Å; N494-V497 PolarHBondContact O-N 3.48Å; N494-V497 VanDerWaalsContact O-N 3.13Å
495	P	72.7	Confident	77.2	Confident	99 Å²	99	96.5 Å²	96.5	64%	0.643	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-25.5	-177.6	25.1	-35.3	0	0	0	113.6
496	N	70.3	Confident	77	Confident	157 Å²	157	91.6 Å²	91.6	84%	0.84	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-3.7	-178.2	-65.1	-12.7	0	0	0	114	N494	N494-N496 PolarHBondContact O-N 2.93Å; N494-N496 VanDerWaalsContact O-N 3.13Å
497	V	65.7	Low	76.9	Confident	71 Å²	71	91.2 Å²	91.2	43%	0.43	48%	0.478	S	S	.	.			trans	-119.9	99.6	-175.4	-175.5	0	0	0	0	109.6	N494 Q499	N494-V497 HydrophobicContact CB-CB 4.22Å; N494-V497 HydrophobicContact CB-CG2 4.47Å; N494-V497 PolarHBondContact O-N 3.48Å; N494-V497 VanDerWaalsContact O-N 3.13Å; V497-Q499 HydrophobicContact CG1-CB 3.94Å; V497-Q499 HydrophobicContact CG1-CG 3.59Å; V497-Q499 PolarHBondContact O-N 2.96Å
498	I	60.1	Low	77	Confident	164 Å²	164	88.3 Å²	88.3	84%	0.841	47%	0.465	S	S	*	.			trans	-75.5	59.9	172	-45.6	177.9	0	0	0	109.7	V500	I498-V500 PolarHBondContact O-N 3.38Å
499	Q	59.8	Low	76.9	Confident	160 Å²	160	82.6 Å²	82.6	75%	0.748	45%	0.447	S	S	*	.			trans	-81.7	100.2	167.3	-91.4	177.2	-3.5	0	0	108.5	V497 H501	V497-Q499 HydrophobicContact CG1-CB 3.94Å; V497-Q499 HydrophobicContact CG1-CG 3.59Å; V497-Q499 PolarHBondContact O-N 2.96Å; Q499-H501 PolarHBondContact O-N 3.42Å
500	V	65	Low	77	Confident	128 Å²	128	82.5 Å²	82.5	78%	0.776	44%	0.439	S	S	*	.			trans	-59.3	109.4	172.4	-179.6	0	0	0	0	108.5	I498 V502	I498-V500 PolarHBondContact O-N 3.38Å; V500-V502 PolarHBondContact O-N 2.99Å; V500-V502 VanDerWaalsContact O-N 3.11Å
501	H	70.9	Confident	77.2	Confident	57 Å²	57	80.5 Å²	80.5	26%	0.264	43%	0.433	S	S	.	.			trans	-66.3	111.7	-178	170.9	-73.3	0	0	0	110.8	R490 Q499 D503 S506	R490-H501 PolarHBondContact NH1-CD2 3.43Å; R490-H501 VanDerWaalsContact NH1-CD2 3.33Å; R490-H501 PolarHBondContact NH1-NE2 3.03Å; R490-H501 PolarHBondContact NH2-CD2 3.48Å; Q499-H501 PolarHBondContact O-N 3.42Å; H501-D503 PolarHBondContact O-N 3.1Å; H501-S506 WeakPolarHBondContact NE2-CB 3.22Å
502	V	79.2	Confident	77.5	Confident	73 Å²	73	79.4 Å²	79.4	44%	0.442	44%	0.435	S	S	.	.			trans	-63.5	120.9	178.3	179.7	0	0	0	0	110.6	V500 T505 N762	V500-V502 PolarHBondContact O-N 2.99Å; V500-V502 VanDerWaalsContact O-N 3.11Å; V502-T505 HydrophobicContact CB-CG2 3.93Å; V502-T505 HydrophobicContact CG1-CG2 3.92Å; V502-T505 PolarHBondContact O-N 3.11Å; V502-T505 PolarHBondContact O-OG1 2.96Å; V502-N762 HydrophobicContact CG1-CB 4.29Å; V502-N762 WeakPolarHBondContact CG1-ND2 3.42Å
503	D	80.1	Confident	77.8	Confident	29 Å²	29	78.9 Å²	78.9	16%	0.155	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	146.6	-179	-160.8	23.1	0	0	0	111.7	R483 H501 T505 R759 N762	R483-D503 IonicContact CZ-OD1 3.68Å; R483-D503 IonicContact CZ-OD2 3.31Å; R483-D503 IonicContact NE-OD1 2.74Å; R483-D503 IonicContact NE-OD2 3.08Å; R483-D503 IonicContact NH2-OD1 2.84Å; R483-D503 IonicContact NH2-OD2 3.13Å; R483-D503 PolarHBondContact NH2-OD2 2.88Å; H501-D503 PolarHBondContact O-N 3.1Å; D503-T505 VanDerWaalsContact C-N 3.32Å; D503-R759 IonicContact OD1-NH1 3.71Å; D503-R759 PolarHBondContact OD1-NH1 3.2Å; D503-R759 WeakPolarHBondContact OD2-CD 3.36Å; D503-R759 IonicContact OD2-CZ 2.64Å; D503-R759 IonicContact OD2-NH1 2.81Å; D503-R759 PolarHBondContact OD2-NH1 3.04Å; D503-R759 VanDerWaalsContact OD2-NH1 3.1Å; D503-N762 WeakPolarHBondContact O-CB 3.47Å; D503-N762 PolarHBondContact O-ND2 3.32Å
504	G	81.3	Confident	78.4	Confident	9 Å²	9	75.5 Å²	75.5	9%	0.093	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.8	-12.5	-171.9	0	0	0	0	0	115.4
505	T	84.1	Confident	79.3	Confident	50 Å²	50	73.4 Å²	73.4	31%	0.307	42%	0.416	S	S	.	.			trans	-87.1	-23.2	179	66.1	0	0	0	0	114.5	V502 D503 N762 K766	V502-T505 HydrophobicContact CB-CG2 3.93Å; V502-T505 HydrophobicContact CG1-CG2 3.92Å; V502-T505 PolarHBondContact O-N 3.11Å; V502-T505 PolarHBondContact O-OG1 2.96Å; D503-T505 VanDerWaalsContact C-N 3.32Å; T505-N762 HydrophobicContact CG2-CB 4.24Å; T505-K766 VanDerWaalsContact O-CD 3.23Å; T505-K766 WeakPolarHBondContact O-CD 3.36Å; T505-K766 WeakPolarHBondContact O-CE 3.34Å; T505-K766 PolarHBondContact O-NZ 2.94Å
506	S	83.6	Confident	80.2	Confident	37 Å²	37	71.8 Å²	71.8	26%	0.259	40%	0.402	S	S	.	.	S	Bend	trans	-69.8	138.6	175.1	-160.4	0	0	0	0	111.6	R486 R490 H501	R486-S506 VanDerWaalsContact CD-OG 3.32Å; R486-S506 WeakPolarHBondContact CD-OG 3.35Å; R486-S506 PolarHBondContact NE-OG 3.03Å; R490-S506 PolarHBondContact NH1-OG 3.46Å; H501-S506 WeakPolarHBondContact NE2-CB 3.22Å
507	T	83.6	Confident	81.4	Confident	20 Å²	20	68 Å²	68	12%	0.123	38%	0.384	C	S	.	.			trans	-73.1	147.8	155.4	-28.7	0	0	0	0	109.2	D509 K766	T507-D509 WeakPolarHBondContact CB-OD2 3.29Å; T507-D509 WeakPolarHBondContact CG2-OD1 3.49Å; T507-K766 VanDerWaalsContact CA-NZ 3.34Å; T507-K766 PolarHBondContact OG1-NZ 3.19Å
508	D	84.8	Confident	82.8	Confident	30 Å²	30	68.7 Å²	68.7	16%	0.16	38%	0.381	C	S	.	.			trans	-105.8	79.4	169.4	-166.9	-13.4	0	0	0	109.6	R437 R482 R486 E510	R437-D508 IonicContact CZ-OD1 2.81Å; R437-D508 PolarHBondContact NH2-O 3.23Å; R437-D508 IonicContact NH2-OD1 2.91Å; R437-D508 PolarHBondContact NH2-OD1 3.45Å; R482-D508 IonicContact CZ-OD2 3.94Å; R482-D508 IonicContact NE-OD1 2.64Å; R482-D508 PolarHBondContact NE-OD1 2.79Å; R482-D508 IonicContact NE-OD2 3.31Å; R482-D508 PolarHBondContact NE-OD2 3.5Å; R482-D508 IonicContact NH2-OD2 3.58Å; R486-D508 VanDerWaalsContact CZ-CG 3.44Å; R486-D508 IonicContact CZ-OD1 3.82Å; R486-D508 IonicContact CZ-OD2 2.61Å; R486-D508 IonicContact NH1-OD1 2.82Å; R486-D508 PolarHBondContact NH1-OD1 3.34Å; R486-D508 IonicContact NH1-OD2 2.67Å; R486-D508 PolarHBondContact NH1-OD2 3.04Å; R486-D508 IonicContact NH2-OD1 3.33Å; R486-D508 IonicContact NH2-OD2 2.83Å; R486-D508 PolarHBondContact NH2-OD2 3.17Å; D508-E510 PolarHBondContact OD1-N 3.37Å
509	D	84.5	Confident	84.4	Confident	41 Å²	41	62.3 Å²	62.3	22%	0.219	35%	0.347	C	S	.	.			trans	-94.6	7.2	177.9	-54.8	-43.6	0	0	0	112.3	T507	T507-D509 WeakPolarHBondContact CB-OD2 3.29Å; T507-D509 WeakPolarHBondContact CG2-OD1 3.49Å
510	E	85.8	Confident	86	Confident	43 Å²	43	57.1 Å²	57.1	20%	0.201	33%	0.328	C	S	.	.			trans	-73.5	131.2	-178.5	-73.3	-170.8	-166.3	0	0	110.8	R437 R485 R486 D508	R437-E510 VanDerWaalsContact CZ-O 3.26Å; R437-E510 PolarHBondContact NH1-O 3.32Å; R437-E510 PolarHBondContact NH2-O 3.08Å; R485-E510 WeakPolarHBondContact CD-OE2 3.21Å; R485-E510 IonicContact CZ-OE2 2.74Å; R485-E510 IonicContact NE-OE2 2.86Å; R485-E510 IonicContact NH1-OE2 3.96Å; R485-E510 PolarHBondContact NH1-OE2 2.74Å; R486-E510 WeakPolarHBondContact CG-OE1 3.28Å; R486-E510 IonicContact NH1-OE1 3.1Å; D508-E510 PolarHBondContact OD1-N 3.37Å
511	E	87.8	Confident	87.5	Confident	33 Å²	33	53.4 Å²	53.4	15%	0.154	31%	0.311	C	S	.	.			trans	-126.7	152.9	178.3	-60.1	-171.2	73.9	0	0	110.5	R430 L434 Q513 I516 R519	R430-E511 IonicContact CZ-OE2 3.92Å; R430-E511 IonicContact NE-OE2 3.61Å; R430-E511 PolarHBondContact NE-OE2 2.64Å; R430-E511 IonicContact NH2-OE2 3.97Å; L434-E511 HydrophobicContact CD2-CG 4.11Å; E511-Q513 PolarHBondContact O-N 3.22Å; E511-I516 HydrophobicContact CB-CD1 4.21Å; E511-I516 HydrophobicContact CB-CG1 4Å; E511-R519 IonicContact OE1-CZ 3.73Å; E511-R519 IonicContact OE1-NH1 4Å; E511-R519 PolarHBondContact OE1-NH1 2.91Å; E511-R519 IonicContact OE1-NH2 2.67Å; E511-R519 PolarHBondContact OE1-NH2 3.29Å; E511-R519 IonicContact OE2-CZ 2.91Å; E511-R519 IonicContact OE2-NH1 2.72Å; E511-R519 PolarHBondContact OE2-NH1 3.38Å; E511-R519 IonicContact OE2-NH2 2.58Å
512	P	89.6	Confident	88.7	Confident	81 Å²	81	53.1 Å²	53.1	53%	0.526	31%	0.311	S	S	.	.			trans	-61.2	136.6	172.3	-19.8	32.5	0	0	0	110.8	A514 T515 I516	P512-A514 PolarHBondContact O-N 2.9Å; P512-A514 VanDerWaalsContact O-N 3.16Å; P512-T515 WeakPolarHBondContact O-CA 3.46Å; P512-T515 WeakPolarHBondContact O-CB 3.3Å; P512-T515 PolarHBondContact O-N 3.16Å; P512-I516 PolarHBondContact O-N 3.06Å
513	Q	90.8	Very high	89.4	Confident	131 Å²	131	51.2 Å²	51.2	61%	0.612	30%	0.298	S	S	*	.	H	α-helix	trans	-56.8	-36	-178.5	-171.4	62.1	27.4	0	0	112.4	E511 T515 I516 V517	E511-Q513 PolarHBondContact O-N 3.22Å; Q513-T515 VanDerWaalsContact C-N 3.3Å; Q513-T515 PolarHBondContact O-N 3.19Å; Q513-I516 PolarHBondContact O-N 3.38Å; Q513-V517 HydrophobicContact CG-CG2 4.33Å; Q513-V517 WeakPolarHBondContact O-CG2 3.5Å; Q513-V517 PolarHBondContact O-N 3.37Å
514	A	92.7	Very high	90.1	Very high	79 Å²	79	54.1 Å²	54.1	65%	0.653	31%	0.314	S	S	*	.	H	α-helix	trans	-60.2	-36.6	174.7	0	0	0	0	0	113	P512 K518	P512-A514 PolarHBondContact O-N 2.9Å; P512-A514 VanDerWaalsContact O-N 3.16Å; A514-K518 WeakPolarHBondContact O-CB 3.49Å; A514-K518 PolarHBondContact O-N 3.13Å
515	T	93.1	Very high	90.8	Very high	49 Å²	49	55.9 Å²	55.9	30%	0.301	33%	0.328	S	S	.	.	H	α-helix	trans	-71.5	-35.8	176	-49.3	0	0	0	0	111.7	P512 Q513 R519	P512-T515 WeakPolarHBondContact O-CA 3.46Å; P512-T515 WeakPolarHBondContact O-CB 3.3Å; P512-T515 PolarHBondContact O-N 3.16Å; Q513-T515 VanDerWaalsContact C-N 3.3Å; Q513-T515 PolarHBondContact O-N 3.19Å; T515-R519 WeakPolarHBondContact O-CB 3.49Å; T515-R519 PolarHBondContact O-N 3.5Å
516	I	92.2	Very high	91.3	Very high	65 Å²	65	53.7 Å²	53.7	33%	0.333	31%	0.314	S	S	.	.	H	α-helix	trans	-65.6	-46.1	174.6	-60.1	173.4	0	0	0	110	E511 P512 Q513 R519 S520	E511-I516 HydrophobicContact CB-CD1 4.21Å; E511-I516 HydrophobicContact CB-CG1 4Å; P512-I516 PolarHBondContact O-N 3.06Å; Q513-I516 PolarHBondContact O-N 3.38Å; I516-R519 PolarHBondContact O-N 3.23Å; I516-S520 PolarHBondContact O-N 2.97Å; I516-S520 PolarHBondContact O-OG 2.81Å
517	V	94.7	Very high	91.8	Very high	78 Å²	78	54.5 Å²	54.5	47%	0.473	32%	0.315	S	S	.	.	H	α-helix	trans	-68	-39.9	179.3	173.8	0	0	0	0	112.3	Q513 S520 A521	Q513-V517 HydrophobicContact CG-CG2 4.33Å; Q513-V517 WeakPolarHBondContact O-CG2 3.5Å; Q513-V517 PolarHBondContact O-N 3.37Å; V517-S520 WeakPolarHBondContact CA-OG 3.35Å; V517-S520 PolarHBondContact O-N 3.33Å; V517-S520 PolarHBondContact O-OG 3.34Å; V517-A521 WeakPolarHBondContact O-CB 3.29Å; V517-A521 PolarHBondContact O-N 2.88Å
518	K	95.3	Very high	92.4	Very high	85 Å²	85	58 Å²	58	37%	0.37	34%	0.336	S	S	.	.	H	α-helix	trans	-58.1	-50.7	171.9	-176.7	174	178.6	174.9	0	110	D33 A514 S520 A521 D522	D33-K518 IonicContact OD1-NZ 3.79Å; D33-K518 PolarHBondContact OD1-NZ 3.3Å; D33-K518 VanDerWaalsContact OD1-NZ 3.08Å; A514-K518 WeakPolarHBondContact O-CB 3.49Å; A514-K518 PolarHBondContact O-N 3.13Å; K518-S520 PolarHBondContact O-N 3Å; K518-A521 PolarHBondContact O-N 3.03Å; K518-D522 PolarHBondContact O-N 3.28Å; K518-D522 VanDerWaalsContact O-OD2 3.11Å
519	R	93.9	Very high	92.9	Very high	31 Å²	31	60.7 Å²	60.7	12%	0.117	35%	0.351	C	S	.	.	H	α-helix	trans	-61.7	-40.9	179	-174.7	-173.8	-57.5	128.4	7.2	113.6	I426 E511 T515 I516 D522 I523	I426-R519 HydrophobicContact CG2-CG 3.63Å; E511-R519 IonicContact OE1-CZ 3.73Å; E511-R519 IonicContact OE1-NH1 4Å; E511-R519 PolarHBondContact OE1-NH1 2.91Å; E511-R519 IonicContact OE1-NH2 2.67Å; E511-R519 PolarHBondContact OE1-NH2 3.29Å; E511-R519 IonicContact OE2-CZ 2.91Å; E511-R519 IonicContact OE2-NH1 2.72Å; E511-R519 PolarHBondContact OE2-NH1 3.38Å; E511-R519 IonicContact OE2-NH2 2.58Å; T515-R519 WeakPolarHBondContact O-CB 3.49Å; T515-R519 PolarHBondContact O-N 3.5Å; I516-R519 PolarHBondContact O-N 3.23Å; R519-D522 PolarHBondContact O-N 3.17Å; R519-I523 HydrophobicContact CG-CD1 4.03Å; R519-I523 VanDerWaalsContact O-CG1 3.31Å; R519-I523 WeakPolarHBondContact O-CG1 3.41Å; R519-I523 PolarHBondContact O-N 2.8Å
520	S	93.4	Very high	93.4	Very high	50 Å²	50	58.9 Å²	58.9	35%	0.35	34%	0.341	S	S	.	.	H	α-helix	trans	-64.2	-45.8	176.4	61.1	0	0	0	0	109.9	I516 V517 K518 D522 I523 D524	I516-S520 PolarHBondContact O-N 2.97Å; I516-S520 PolarHBondContact O-OG 2.81Å; V517-S520 WeakPolarHBondContact CA-OG 3.35Å; V517-S520 PolarHBondContact O-N 3.33Å; V517-S520 PolarHBondContact O-OG 3.34Å; K518-S520 PolarHBondContact O-N 3Å; S520-D522 VanDerWaalsContact C-N 3.32Å; S520-D522 PolarHBondContact O-N 2.95Å; S520-I523 CarbonylContact O-C 3.59Å; S520-I523 PolarHBondContact O-N 2.82Å; S520-I523 VanDerWaalsContact O-N 3.07Å; S520-D524 WeakPolarHBondContact O-CB 3.4Å; S520-D524 PolarHBondContact O-N 3.07Å; S520-D524 VanDerWaalsContact O-OD2 3.1Å
521	A	95.9	Very high	93.7	Very high	51 Å²	51	63.1 Å²	63.1	42%	0.421	37%	0.365	S	S	.	.	H	α-helix	trans	-60.1	-38.4	174.9	0	0	0	0	0	113.1	V517 K518 I523 D524 A525	V517-A521 WeakPolarHBondContact O-CB 3.29Å; V517-A521 PolarHBondContact O-N 2.88Å; K518-A521 PolarHBondContact O-N 3.03Å; A521-I523 VanDerWaalsContact C-N 3.31Å; A521-I523 PolarHBondContact O-N 3.45Å; A521-D524 PolarHBondContact O-N 2.95Å; A521-A525 VanDerWaalsContact O-CB 3.3Å; A521-A525 WeakPolarHBondContact O-CB 3.4Å; A521-A525 PolarHBondContact O-N 2.86Å
522	D	95.5	Very high	94	Very high	50 Å²	50	63.6 Å²	63.6	27%	0.267	38%	0.375	S	S	.	.	H	α-helix	trans	-65	-33.8	175.4	-61.2	-38.6	0	0	0	112.2	I426 K518 R519 S520 L526	I426-D522 HydrophobicContact CD1-CB 3.86Å; K518-D522 PolarHBondContact O-N 3.28Å; K518-D522 VanDerWaalsContact O-OD2 3.11Å; R519-D522 PolarHBondContact O-N 3.17Å; S520-D522 VanDerWaalsContact C-N 3.32Å; S520-D522 PolarHBondContact O-N 2.95Å; D522-L526 PolarHBondContact O-N 3.17Å
523	I	93.9	Very high	94.1	Very high	33 Å²	33	60.5 Å²	60.5	17%	0.169	35%	0.354	C	S	.	.	H	α-helix	trans	-77.3	-41.9	174.8	-67.9	167.4	0	0	0	111	I426 F427 R519 S520 A521 A525 L526 L527	I426-I523 HydrophobicContact CD1-CG1 4.4Å; I426-I523 HydrophobicContact CG2-CD1 4.22Å; I426-I523 HydrophobicContact CG2-CG1 4.01Å; F427-I523 HydrophobicContact CE1-CD1 3.82Å; F427-I523 HydrophobicContact CZ-CD1 4.49Å; R519-I523 HydrophobicContact CG-CD1 4.03Å; R519-I523 VanDerWaalsContact O-CG1 3.31Å; R519-I523 WeakPolarHBondContact O-CG1 3.41Å; R519-I523 PolarHBondContact O-N 2.8Å; S520-I523 CarbonylContact O-C 3.59Å; S520-I523 PolarHBondContact O-N 2.82Å; S520-I523 VanDerWaalsContact O-N 3.07Å; A521-I523 VanDerWaalsContact C-N 3.31Å; A521-I523 PolarHBondContact O-N 3.45Å; I523-A525 VanDerWaalsContact C-N 3.33Å; I523-A525 PolarHBondContact O-N 3.49Å; I523-L526 WeakPolarHBondContact O-CB 3.35Å; I523-L526 PolarHBondContact O-N 3.46Å; I523-L527 HydrophobicContact CG2-CD1 4.08Å; I523-L527 HydrophobicContact CG2-CG 4.42Å; I523-L527 WeakPolarHBondContact O-CG 3.47Å; I523-L527 PolarHBondContact O-N 3.18Å
524	D	95.4	Very high	94.2	Very high	91 Å²	91	55.3 Å²	55.3	49%	0.487	33%	0.329	S	S	.	.	H	α-helix	trans	-63.7	-41.4	179.2	-63.1	-30.6	0	0	0	110.1	S520 A521 L527 V528	S520-D524 WeakPolarHBondContact O-CB 3.4Å; S520-D524 PolarHBondContact O-N 3.07Å; S520-D524 VanDerWaalsContact O-OD2 3.1Å; A521-D524 PolarHBondContact O-N 2.95Å; D524-L527 PolarHBondContact O-N 3.28Å; D524-V528 WeakPolarHBondContact O-CG2 3.25Å; D524-V528 PolarHBondContact O-N 3.43Å
525	A	96	Very high	94.1	Very high	46 Å²	46	59.6 Å²	59.6	38%	0.38	34%	0.336	S	S	.	.	H	α-helix	trans	-60.6	-44.6	171.9	0	0	0	0	0	112.3	A521 I523 L527 V528 D529	A521-A525 VanDerWaalsContact O-CB 3.3Å; A521-A525 WeakPolarHBondContact O-CB 3.4Å; A521-A525 PolarHBondContact O-N 2.86Å; I523-A525 VanDerWaalsContact C-N 3.33Å; I523-A525 PolarHBondContact O-N 3.49Å; A525-L527 VanDerWaalsContact C-N 3.27Å; A525-L527 PolarHBondContact O-N 2.87Å; A525-V528 PolarHBondContact O-N 3.48Å; A525-D529 PolarHBondContact O-N 3.1Å
526	L	95	Very high	94.1	Very high	3 Å²	3	62.7 Å²	62.7	2%	0.016	35%	0.35	C	S	.	.	H	α-helix	trans	-59.8	-35.6	173.2	-89.7	-178.3	0	0	0	113.4	L419 R422 I426 D522 I523 A530	L419-L526 HydrophobicContact CD2-CD2 3.71Å; R422-L526 HydrophobicContact CB-CD1 4.35Å; R422-L526 HydrophobicContact CB-CD2 4Å; R422-L526 HydrophobicContact CG-CD1 4.11Å; R422-L526 HydrophobicContact CG-CD2 3.83Å; R422-L526 HydrophobicContact CG-CG 4.34Å; I426-L526 HydrophobicContact CD1-CD1 3.5Å; I426-L526 HydrophobicContact CD1-CG 4.35Å; D522-L526 PolarHBondContact O-N 3.17Å; I523-L526 WeakPolarHBondContact O-CB 3.35Å; I523-L526 PolarHBondContact O-N 3.46Å; L526-A530 VanDerWaalsContact O-CB 3.26Å; L526-A530 WeakPolarHBondContact O-CB 3.42Å; L526-A530 PolarHBondContact O-N 3.49Å
527	L	94.4	Very high	94.2	Very high	54 Å²	54	61 Å²	61	28%	0.283	34%	0.343	S	S	.	.	H	α-helix	trans	-75	-31.9	178	-70.5	174.6	0	0	0	111.8	I523 D524 A525 A530 N531	I523-L527 HydrophobicContact CG2-CD1 4.08Å; I523-L527 HydrophobicContact CG2-CG 4.42Å; I523-L527 WeakPolarHBondContact O-CG 3.47Å; I523-L527 PolarHBondContact O-N 3.18Å; D524-L527 PolarHBondContact O-N 3.28Å; A525-L527 VanDerWaalsContact C-N 3.27Å; A525-L527 PolarHBondContact O-N 2.87Å; L527-A530 PolarHBondContact O-N 2.84Å; L527-N531 WeakPolarHBondContact O-CB 3.4Å; L527-N531 PolarHBondContact O-N 3.19Å; L527-N531 PolarHBondContact O-ND2 3.06Å
528	V	95.8	Very high	94.1	Very high	94 Å²	94	62.9 Å²	62.9	57%	0.57	35%	0.349	S	S	*	.	H	α-helix	trans	-63.4	-50.4	168.5	172	0	0	0	0	110.3	D524 A525 A530 N531 A532	D524-V528 WeakPolarHBondContact O-CG2 3.25Å; D524-V528 PolarHBondContact O-N 3.43Å; A525-V528 PolarHBondContact O-N 3.48Å; V528-A530 PolarHBondContact O-N 3.41Å; V528-N531 PolarHBondContact O-N 3.45Å; V528-A532 WeakPolarHBondContact O-CB 3.37Å; V528-A532 PolarHBondContact O-N 3.25Å
529	D	94.8	Very high	93.9	Very high	87 Å²	87	64.9 Å²	64.9	47%	0.465	36%	0.36	S	S	.	.	H	α-helix	trans	-58.1	-37.2	176.5	-66.2	-18.4	0	0	0	112.2	L419 A525 L533	L419-D529 HydrophobicContact CD2-CB 3.81Å; A525-D529 PolarHBondContact O-N 3.1Å; D529-L533 PolarHBondContact O-N 3.28Å
530	A	94.4	Very high	93.8	Very high	2 Å²	2	66.6 Å²	66.6	2%	0.017	37%	0.369	C	S	.	.	H	α-helix	trans	-69.2	-45.5	176.9	0	0	0	0	0	112.5	L419 L526 L527 V528 A532 L533 I581 I584	L419-A530 HydrophobicContact CD1-CB 4.09Å; L526-A530 VanDerWaalsContact O-CB 3.26Å; L526-A530 WeakPolarHBondContact O-CB 3.42Å; L526-A530 PolarHBondContact O-N 3.49Å; L527-A530 PolarHBondContact O-N 2.84Å; V528-A530 PolarHBondContact O-N 3.41Å; A530-A532 VanDerWaalsContact C-N 3.32Å; A530-A532 PolarHBondContact O-N 3.07Å; A530-L533 VanDerWaalsContact O-CB 3.27Å; A530-L533 WeakPolarHBondContact O-CB 3.44Å; A530-L533 PolarHBondContact O-N 3.43Å; A530-I581 HydrophobicContact CB-CD1 4.37Å; A530-I581 HydrophobicContact CB-CG1 3.96Å; A530-I581 WeakPolarHBondContact O-CD1 3.45Å; A530-I584 HydrophobicContact CB-CD1 3.9Å
531	N	92.4	Very high	93.7	Very high	133 Å²	133	66.2 Å²	66.2	71%	0.711	36%	0.361	S	S	*	.	H	α-helix	trans	-66.9	-33.6	177.9	-69.4	-38.5	0	0	0	112	L527 V528 L533	L527-N531 WeakPolarHBondContact O-CB 3.4Å; L527-N531 PolarHBondContact O-N 3.19Å; L527-N531 PolarHBondContact O-ND2 3.06Å; V528-N531 PolarHBondContact O-N 3.45Å; N531-L533 VanDerWaalsContact C-N 3.26Å; N531-L533 PolarHBondContact O-N 3.03Å
532	A	94.1	Very high	93.5	Very high	42 Å²	42	64.9 Å²	64.9	35%	0.347	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-75.4	-7.9	176.5	0	0	0	0	0	114.1	V528 A530 F534 E535	V528-A532 WeakPolarHBondContact O-CB 3.37Å; V528-A532 PolarHBondContact O-N 3.25Å; A530-A532 VanDerWaalsContact C-N 3.32Å; A530-A532 PolarHBondContact O-N 3.07Å; A532-F534 PolarHBondContact O-N 3.2Å; A532-F534 VanDerWaalsContact O-N 3.16Å; A532-E535 WeakPolarHBondContact O-CB 3.39Å; A532-E535 PolarHBondContact O-N 2.72Å
533	L	92.8	Very high	93.4	Very high	16 Å²	16	67 Å²	67	8%	0.084	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-62.7	-28.2	-172.7	-176.1	60.9	0	0	0	114.1	K412 K415 I416 D529 A530 N531 I581	K412-L533 HydrophobicContact CB-CD2 4.39Å; K412-L533 HydrophobicContact CD-CD1 4.26Å; K412-L533 HydrophobicContact CD-CG 4.34Å; K412-L533 PolarHBondContact NZ-O 3.44Å; K415-L533 HydrophobicContact CB-CD1 3.53Å; K415-L533 HydrophobicContact CB-CD2 4.32Å; K415-L533 HydrophobicContact CD-CD1 3.46Å; K415-L533 VanDerWaalsContact CD-CD1 3.46Å; K415-L533 HydrophobicContact CG-CD1 4.12Å; I416-L533 HydrophobicContact CD1-CD2 4.24Å; I416-L533 HydrophobicContact CG1-CD2 3.36Å; D529-L533 PolarHBondContact O-N 3.28Å; A530-L533 VanDerWaalsContact O-CB 3.27Å; A530-L533 WeakPolarHBondContact O-CB 3.44Å; A530-L533 PolarHBondContact O-N 3.43Å; N531-L533 VanDerWaalsContact C-N 3.26Å; N531-L533 PolarHBondContact O-N 3.03Å; L533-I581 HydrophobicContact CB-CD1 3.89Å; L533-I581 HydrophobicContact CD2-CD1 3.59Å; L533-I581 HydrophobicContact CG-CD1 4.31Å
534	F	92.3	Very high	93.4	Very high	22 Å²	22	65.5 Å²	65.5	10%	0.096	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-111	12.7	-178.2	-66.9	-77.1	0	0	0	113.1	F409 K412 I416 A532 D536 V537 C542 I581	F409-F534 HydrophobicContact CD1-CE1 4.06Å; F409-F534 HydrophobicContact CD1-CZ 4.36Å; F409-F534 HydrophobicContact CE1-CE1 4.12Å; F409-F534 HydrophobicContact CE1-CZ 4.36Å; K412-F534 HydrophobicContact CB-CE1 4.15Å; K412-F534 HydrophobicContact CB-CZ 4.37Å; K412-F534 HydrophobicContact CG-CD1 4.2Å; K412-F534 HydrophobicContact CG-CE1 3.79Å; K412-F534 HydrophobicContact CG-CZ 4.47Å; I416-F534 HydrophobicContact CD1-CZ 4.39Å; A532-F534 PolarHBondContact O-N 3.2Å; A532-F534 VanDerWaalsContact O-N 3.16Å; F534-D536 PolarHBondContact O-N 3.13Å; F534-V537 HydrophobicContact CB-CB 4.37Å; F534-V537 HydrophobicContact CD1-CB 4.34Å; F534-V537 HydrophobicContact CD1-CG2 4.06Å; F534-V537 WeakPolarHBondContact O-CB 3.49Å; F534-V537 PolarHBondContact O-N 3.07Å; F534-C542 HydrophobicContact CB-CB 3.68Å; F534-C542 HydrophobicContact CD1-CB 3.74Å; F534-C542 HydrophobicContact CE1-CB 4.48Å; F534-C542 HydrophobicContact CG-CB 3.76Å; F534-I581 HydrophobicContact CD2-CD1 4.03Å; F534-I581 HydrophobicContact CE2-CD1 3.71Å
535	E	91.5	Very high	93.3	Very high	170 Å²	170	64.1 Å²	64.1	79%	0.794	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-24.9	-178.9	-173.7	177.7	-178.6	0	0	113.4	A532	A532-E535 WeakPolarHBondContact O-CB 3.39Å; A532-E535 PolarHBondContact O-N 2.72Å
536	D	92.9	Very high	93.2	Very high	114 Å²	114	64.2 Å²	64.2	61%	0.61	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	3.7	174.3	60.1	-23.7	0	0	0	113.8	K412 F534	K412-D536 IonicContact NZ-OD1 3.75Å; K412-D536 PolarHBondContact NZ-OD1 3.3Å; K412-D536 IonicContact NZ-OD2 3.05Å; K412-D536 PolarHBondContact NZ-OD2 3.15Å; F534-D536 PolarHBondContact O-N 3.13Å
537	V	92.7	Very high	93.1	Very high	28 Å²	28	64.1 Å²	64.1	17%	0.17	34%	0.339	C	S	.	.	S	Bend	trans	-111.5	137.1	-178.2	-178.3	0	0	0	0	109.9	F534 F541 C542	F534-V537 HydrophobicContact CB-CB 4.37Å; F534-V537 HydrophobicContact CD1-CB 4.34Å; F534-V537 HydrophobicContact CD1-CG2 4.06Å; F534-V537 WeakPolarHBondContact O-CB 3.49Å; F534-V537 PolarHBondContact O-N 3.07Å; V537-F541 HydrophobicContact CG1-CB 3.76Å; V537-C542 HydrophobicContact CB-CB 4.39Å; V537-C542 HydrophobicContact CG1-CB 4.07Å
538	I	93	Very high	93.1	Very high	118 Å²	118	61.8 Å²	61.8	61%	0.605	33%	0.326	S	S	*	.			trans	-62.3	137.4	176.2	-58.5	170	0	0	0	109.3	E540 F541	I538-E540 HydrophobicContact CG2-CB 4.43Å; I538-E540 PolarHBondContact O-N 2.85Å; I538-F541 HydrophobicContact CB-CD2 4.41Å; I538-F541 PolarHBondContact O-N 3.39Å
539	E	91.4	Very high	92.9	Very high	127 Å²	127	63 Å²	63	59%	0.593	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-47.7	-40.5	-175.3	-64.5	171	179.1	0	0	112.9	F541 C542 E543 L546	E539-F541 PolarHBondContact O-N 3.19Å; E539-C542 PolarHBondContact O-N 2.9Å; E539-C542 VanDerWaalsContact O-N 3.11Å; E539-E543 HydrophobicContact CB-CG 4.18Å; E539-E543 WeakPolarHBondContact O-CB 3.24Å; E539-E543 PolarHBondContact O-N 2.92Å; E539-L546 HydrophobicContact CB-CD1 3.69Å
540	E	91.4	Very high	92.7	Very high	67 Å²	67	62.3 Å²	62.3	31%	0.313	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-54.7	-25.7	176.4	-64.3	-171.5	-140.4	0	0	114.6	Y401 I538 I547 R550	Y401-E540 PolarHBondContact OH-O 3.4Å; I538-E540 HydrophobicContact CG2-CB 4.43Å; I538-E540 PolarHBondContact O-N 2.85Å; E540-I547 WeakPolarHBondContact O-CG1 3.34Å; E540-R550 IonicContact OE2-CZ 3.73Å; E540-R550 IonicContact OE2-NE 2.63Å; E540-R550 PolarHBondContact OE2-NE 3.3Å; E540-R550 IonicContact OE2-NH2 2.77Å; E540-R550 PolarHBondContact OE2-NH2 3.48Å
541	F	92.7	Very high	92.6	Very high	42 Å²	42	62.2 Å²	62.2	18%	0.184	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-106.4	1.8	-178.4	-67	-88.8	0	0	0	114.1	Y401 D404 L405 F409 V537 I538 E539	Y401-F541 AromaticContact CD2-CE1 3.9Å; Y401-F541 HydrophobicContact CD2-CE1 3.9Å; Y401-F541 AromaticContact CD2-CZ 3.96Å; Y401-F541 HydrophobicContact CD2-CZ 3.96Å; Y401-F541 HydrophobicContact CE2-CD1 4.4Å; Y401-F541 AromaticContact CE2-CE1 3.83Å; Y401-F541 HydrophobicContact CE2-CE1 3.83Å; Y401-F541 AromaticContact CE2-CZ 3.93Å; Y401-F541 HydrophobicContact CE2-CZ 3.93Å; Y401-F541 HydrophobicContact CG-CE1 4.44Å; D404-F541 HydrophobicContact CB-CE1 3.83Å; D404-F541 HydrophobicContact CB-CZ 4.37Å; L405-F541 HydrophobicContact CB-CD1 4.08Å; L405-F541 HydrophobicContact CB-CE1 4.47Å; L405-F541 HydrophobicContact CD1-CB 4.13Å; L405-F541 HydrophobicContact CD1-CD1 3.93Å; L405-F541 WeakPolarHBondContact CD1-O 3.48Å; F409-F541 VanDerWaalsContact CE1-O 3.32Å; F409-F541 WeakPolarHBondContact CE1-O 3.42Å; V537-F541 HydrophobicContact CG1-CB 3.76Å; I538-F541 HydrophobicContact CB-CD2 4.41Å; I538-F541 PolarHBondContact O-N 3.39Å; E539-F541 PolarHBondContact O-N 3.19Å
542	C	91.5	Very high	92.4	Very high	24 Å²	24	57.6 Å²	57.6	16%	0.162	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.6	-26.8	179.7	66.8	0	0	0	0	114.4	F534 V537 E539 I578	F534-C542 HydrophobicContact CB-CB 3.68Å; F534-C542 HydrophobicContact CD1-CB 3.74Å; F534-C542 HydrophobicContact CE1-CB 4.48Å; F534-C542 HydrophobicContact CG-CB 3.76Å; V537-C542 HydrophobicContact CB-CB 4.39Å; V537-C542 HydrophobicContact CG1-CB 4.07Å; E539-C542 PolarHBondContact O-N 2.9Å; E539-C542 VanDerWaalsContact O-N 3.11Å; C542-I578 WeakPolarHBondContact O-CD1 3.31Å
543	E	92.7	Very high	92.2	Very high	93 Å²	93	58.8 Å²	58.8	44%	0.435	29%	0.289	S	S	.	.			trans	-84.3	117.5	175.1	-60.7	-149.7	149.4	0	0	111.2	E539 L546 I547	E539-E543 HydrophobicContact CB-CG 4.18Å; E539-E543 WeakPolarHBondContact O-CB 3.24Å; E539-E543 PolarHBondContact O-N 2.92Å; E543-L546 HydrophobicContact CB-CB 4.41Å; E543-L546 HydrophobicContact CB-CD1 4.07Å; E543-L546 HydrophobicContact CB-CG 4.13Å; E543-L546 HydrophobicContact CG-CD1 4.45Å; E543-L546 PolarHBondContact O-N 2.97Å; E543-I547 WeakPolarHBondContact O-CG1 3.5Å; E543-I547 PolarHBondContact O-N 2.92Å; E543-I547 VanDerWaalsContact O-N 3.12Å
544	L	93.4	Very high	92	Very high	3 Å²	3	58.1 Å²	58.1	2%	0.016	29%	0.286	C	S	.	.	H	α-helix	trans	-55.2	-42.1	-178.7	-176	61.4	0	0	0	113.6	L546 I547 L548 F575 I578 W601 D604 L605	L544-L546 PolarHBondContact O-N 3.41Å; L544-I547 PolarHBondContact O-N 2.89Å; L544-L548 HydrophobicContact CD1-CD1 4.03Å; L544-L548 HydrophobicContact CD1-CD2 4.47Å; L544-L548 HydrophobicContact CD1-CG 4Å; L544-L548 HydrophobicContact CD2-CD1 4.44Å; L544-L548 HydrophobicContact CG-CD1 3.72Å; L544-L548 HydrophobicContact CG-CG 4.19Å; L544-L548 WeakPolarHBondContact O-CB 3.13Å; L544-L548 WeakPolarHBondContact O-CG 3.33Å; L544-L548 PolarHBondContact O-N 2.58Å; L544-F575 HydrophobicContact CD1-CB 4.13Å; L544-F575 HydrophobicContact CD1-CD1 3.56Å; L544-F575 HydrophobicContact CD1-CD2 4.16Å; L544-F575 HydrophobicContact CD1-CE1 3.97Å; L544-F575 HydrophobicContact CD1-CE2 4.49Å; L544-F575 HydrophobicContact CD1-CG 3.68Å; L544-F575 HydrophobicContact CD1-CZ 4.41Å; L544-I578 HydrophobicContact CB-CD1 4.25Å; L544-I578 HydrophobicContact CB-CG2 4.18Å; L544-I578 HydrophobicContact CD1-CD1 4.4Å; L544-W601 HydrophobicContact CD2-CB 3.96Å; L544-D604 HydrophobicContact CD2-CB 3.93Å; L544-D604 HydrophobicContact CG-CB 4.23Å; L544-L605 HydrophobicContact CD2-CG 4.47Å
545	P	93.5	Very high	91.8	Very high	62 Å²	62	57.4 Å²	57.4	40%	0.403	28%	0.282	S	S	.	.	H	α-helix	trans	-60.2	-40.9	177.2	-26.1	36.6	0	0	0	114.1	L548 E549	P545-L548 PolarHBondContact O-N 2.97Å; P545-E549 PolarHBondContact O-N 3.16Å
546	L	93.8	Very high	91.6	Very high	48 Å²	48	52.7 Å²	52.7	25%	0.251	26%	0.263	S	S	.	.	H	α-helix	trans	-70.3	-40.3	180	-60.9	-179.6	0	0	0	111.5	E539 E543 L544 L548 E549 R550	E539-L546 HydrophobicContact CB-CD1 3.69Å; E543-L546 HydrophobicContact CB-CB 4.41Å; E543-L546 HydrophobicContact CB-CD1 4.07Å; E543-L546 HydrophobicContact CB-CG 4.13Å; E543-L546 HydrophobicContact CG-CD1 4.45Å; E543-L546 PolarHBondContact O-N 2.97Å; L544-L546 PolarHBondContact O-N 3.41Å; L546-L548 VanDerWaalsContact C-N 3.33Å; L546-L548 PolarHBondContact O-N 3.41Å; L546-E549 WeakPolarHBondContact O-CB 3.44Å; L546-E549 PolarHBondContact O-N 3.47Å; L546-R550 PolarHBondContact O-N 3.34Å
547	I	94.3	Very high	91.3	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.5	-45.7	172.4	-61.5	163.2	0	0	0	110	L405 F409 E540 E543 L544 E549 R550 F551 F575 I578	L405-I547 HydrophobicContact CD1-CD1 3.99Å; L405-I547 HydrophobicContact CD1-CG1 4.38Å; L405-I547 HydrophobicContact CD2-CG2 3.82Å; F409-I547 HydrophobicContact CZ-CD1 4.05Å; E540-I547 WeakPolarHBondContact O-CG1 3.34Å; E543-I547 WeakPolarHBondContact O-CG1 3.5Å; E543-I547 PolarHBondContact O-N 2.92Å; E543-I547 VanDerWaalsContact O-N 3.12Å; L544-I547 PolarHBondContact O-N 2.89Å; I547-E549 VanDerWaalsContact C-N 3.31Å; I547-E549 PolarHBondContact O-N 3.35Å; I547-R550 PolarHBondContact O-N 3.44Å; I547-F551 HydrophobicContact CG2-CD2 4.02Å; I547-F551 HydrophobicContact CG2-CE2 3.74Å; I547-F551 VanDerWaalsContact O-CD2 3.23Å; I547-F551 WeakPolarHBondContact O-CD2 3.45Å; I547-F551 PolarHBondContact O-N 2.93Å; I547-F575 HydrophobicContact CG2-CE1 3.77Å; I547-I578 HydrophobicContact CD1-CD1 3.56Å
548	L	93	Very high	90.8	Very high	5 Å²	5	53.9 Å²	53.9	3%	0.026	26%	0.259	C	S	.	.	H	α-helix	trans	-63.7	-34.5	177.6	-70.7	169.2	0	0	0	112.2	L544 P545 L546 R550 F551 I552 F575 D604 L605 F608	L544-L548 HydrophobicContact CD1-CD1 4.03Å; L544-L548 HydrophobicContact CD1-CD2 4.47Å; L544-L548 HydrophobicContact CD1-CG 4Å; L544-L548 HydrophobicContact CD2-CD1 4.44Å; L544-L548 HydrophobicContact CG-CD1 3.72Å; L544-L548 HydrophobicContact CG-CG 4.19Å; L544-L548 WeakPolarHBondContact O-CB 3.13Å; L544-L548 WeakPolarHBondContact O-CG 3.33Å; L544-L548 PolarHBondContact O-N 2.58Å; P545-L548 PolarHBondContact O-N 2.97Å; L546-L548 VanDerWaalsContact C-N 3.33Å; L546-L548 PolarHBondContact O-N 3.41Å; L548-R550 PolarHBondContact O-N 3.2Å; L548-F551 PolarHBondContact O-N 2.9Å; L548-I552 WeakPolarHBondContact O-CD1 3.17Å; L548-I552 VanDerWaalsContact O-CG1 3.24Å; L548-I552 WeakPolarHBondContact O-CG1 3.4Å; L548-I552 PolarHBondContact O-N 3.44Å; L548-F575 HydrophobicContact CD2-CE1 4.32Å; L548-F575 HydrophobicContact CD2-CE2 3.55Å; L548-F575 HydrophobicContact CD2-CZ 3.42Å; L548-F575 VanDerWaalsContact CD2-CZ 3.42Å; L548-F575 HydrophobicContact CG-CZ 4.33Å; L548-D604 HydrophobicContact CD1-CB 4.05Å; L548-D604 WeakPolarHBondContact CD1-O 3.5Å; L548-L605 HydrophobicContact CD1-CD2 4.25Å; L548-L605 HydrophobicContact CD2-CD2 4.01Å; L548-F608 HydrophobicContact CB-CD2 3.97Å; L548-F608 HydrophobicContact CD1-CB 4.17Å; L548-F608 HydrophobicContact CD2-CB 4.02Å; L548-F608 HydrophobicContact CD2-CD1 4.29Å; L548-F608 HydrophobicContact CD2-CD2 3.53Å; L548-F608 HydrophobicContact CD2-CE2 4.02Å; L548-F608 HydrophobicContact CD2-CG 3.68Å; L548-F608 HydrophobicContact CG-CD2 4.26Å
549	E	91.8	Very high	90.5	Very high	120 Å²	120	50.5 Å²	50.5	56%	0.561	24%	0.244	S	C	*	.	H	α-helix	trans	-59.7	-42.4	174.7	-172.6	171	-168.6	0	0	111.8	P545 L546 I547 F551 I552 E553	P545-E549 PolarHBondContact O-N 3.16Å; L546-E549 WeakPolarHBondContact O-CB 3.44Å; L546-E549 PolarHBondContact O-N 3.47Å; I547-E549 VanDerWaalsContact C-N 3.31Å; I547-E549 PolarHBondContact O-N 3.35Å; E549-F551 PolarHBondContact O-N 2.9Å; E549-I552 PolarHBondContact O-N 3.49Å; E549-E553 WeakPolarHBondContact O-CB 3.45Å; E549-E553 PolarHBondContact O-N 3.38Å
550	R	91.4	Very high	90.1	Very high	73 Å²	73	51 Å²	51	28%	0.275	25%	0.246	S	C	.	.	H	α-helix	trans	-60.4	-44.3	172.6	-62.3	-59.4	-164.4	154.6	6.1	112.2	Y401 E540 L546 I547 L548 I552 E553 W554	Y401-R550 HydrophobicContact CE2-CG 4.03Å; E540-R550 IonicContact OE2-CZ 3.73Å; E540-R550 IonicContact OE2-NE 2.63Å; E540-R550 PolarHBondContact OE2-NE 3.3Å; E540-R550 IonicContact OE2-NH2 2.77Å; E540-R550 PolarHBondContact OE2-NH2 3.48Å; L546-R550 PolarHBondContact O-N 3.34Å; I547-R550 PolarHBondContact O-N 3.44Å; L548-R550 PolarHBondContact O-N 3.2Å; R550-I552 PolarHBondContact O-N 2.97Å; R550-E553 IonicContact NH1-OE2 3.96Å; R550-E553 WeakPolarHBondContact O-CB 3.45Å; R550-E553 PolarHBondContact O-N 3.21Å; R550-W554 HydrophobicContact CB-CH2 4.15Å; R550-W554 HydrophobicContact CB-CZ2 4.41Å; R550-W554 HydrophobicContact CB-CZ3 4.25Å; R550-W554 VanDerWaalsContact O-CD2 3.29Å; R550-W554 PolarHBondContact O-N 3.03Å
551	F	91.3	Very high	89.9	Confident	0 Å²	0	48 Å²	48	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.8	-36.6	175.2	-74.9	-73.7	0	0	0	112.9	I402 I547 L548 E549 W554 R555 Y562 I567 L571 L574 F575 F608	I402-F551 HydrophobicContact CD1-CE1 3.97Å; I402-F551 HydrophobicContact CD1-CZ 4.06Å; I402-F551 HydrophobicContact CG1-CE1 4.43Å; I402-F551 HydrophobicContact CG1-CZ 4.05Å; I547-F551 HydrophobicContact CG2-CD2 4.02Å; I547-F551 HydrophobicContact CG2-CE2 3.74Å; I547-F551 VanDerWaalsContact O-CD2 3.23Å; I547-F551 WeakPolarHBondContact O-CD2 3.45Å; I547-F551 PolarHBondContact O-N 2.93Å; L548-F551 PolarHBondContact O-N 2.9Å; E549-F551 PolarHBondContact O-N 2.9Å; F551-W554 AromaticContact CD1-CE3 3.76Å; F551-W554 HydrophobicContact CD1-CE3 3.76Å; F551-W554 AromaticContact CD1-CZ3 3.84Å; F551-W554 HydrophobicContact CD1-CZ3 3.84Å; F551-W554 HydrophobicContact CE1-CE3 4.03Å; F551-W554 AromaticContact CE1-CZ3 3.71Å; F551-W554 HydrophobicContact CE1-CZ3 3.71Å; F551-W554 HydrophobicContact CE2-CZ3 4.42Å; F551-W554 HydrophobicContact CG-CE3 4.24Å; F551-W554 HydrophobicContact CG-CZ3 4.25Å; F551-W554 HydrophobicContact CZ-CZ3 4.01Å; F551-R555 VanDerWaalsContact O-CB 3.22Å; F551-R555 WeakPolarHBondContact O-CB 3.16Å; F551-R555 PolarHBondContact O-N 3.4Å; F551-Y562 HydrophobicContact CD1-CE2 4.1Å; F551-I567 HydrophobicContact CD1-CG2 3.77Å; F551-I567 HydrophobicContact CE1-CG2 3.58Å; F551-L571 HydrophobicContact CD1-CD2 3.87Å; F551-L571 HydrophobicContact CD2-CD2 4.19Å; F551-L571 HydrophobicContact CE1-CD2 3.66Å; F551-L571 HydrophobicContact CE2-CD2 3.99Å; F551-L571 HydrophobicContact CG-CD2 4.16Å; F551-L571 HydrophobicContact CZ-CD2 3.74Å; F551-L574 HydrophobicContact CE2-CD2 3.69Å; F551-L574 HydrophobicContact CZ-CD2 3.43Å; F551-L574 VanDerWaalsContact CZ-CD2 3.43Å; F551-F575 HydrophobicContact CD2-CE1 4.41Å; F551-F575 HydrophobicContact CD2-CZ 4.17Å; F551-F575 HydrophobicContact CE2-CE1 4.19Å; F551-F575 HydrophobicContact CE2-CZ 4.29Å; F551-F608 HydrophobicContact CB-CE2 3.8Å; F551-F608 HydrophobicContact CB-CZ 4.19Å
552	I	89.4	Confident	89.6	Confident	36 Å²	36	46.1 Å²	46.1	19%	0.185	23%	0.225	C	C	.	.	H	α-helix	trans	-65.3	-44.8	173.4	-68.4	157.2	0	0	0	110.6	L548 E549 R550 W554 R555 N556 F608 L611	L548-I552 WeakPolarHBondContact O-CD1 3.17Å; L548-I552 VanDerWaalsContact O-CG1 3.24Å; L548-I552 WeakPolarHBondContact O-CG1 3.4Å; L548-I552 PolarHBondContact O-N 3.44Å; E549-I552 PolarHBondContact O-N 3.49Å; R550-I552 PolarHBondContact O-N 2.97Å; I552-W554 VanDerWaalsContact C-N 3.34Å; I552-W554 PolarHBondContact O-N 2.77Å; I552-R555 PolarHBondContact O-N 2.82Å; I552-N556 WeakPolarHBondContact CG2-ND2 3.41Å; I552-N556 WeakPolarHBondContact O-CB 3.32Å; I552-N556 PolarHBondContact O-N 2.9Å; I552-N556 PolarHBondContact O-ND2 2.87Å; I552-F608 HydrophobicContact CD1-CD2 3.91Å; I552-F608 HydrophobicContact CG1-CD2 3.6Å; I552-F608 HydrophobicContact CG1-CE2 3.74Å; I552-L611 HydrophobicContact CD1-CD1 3.38Å; I552-L611 HydrophobicContact CG1-CD1 3.91Å; I552-L611 HydrophobicContact CG2-CD1 4.45Å
553	E	89.8	Confident	89.2	Confident	67 Å²	67	49.2 Å²	49.2	31%	0.313	24%	0.237	S	C	.	.	H	α-helix	trans	-57.3	-47.4	176.8	-176	179.2	-161.1	0	0	110.6	E549 R550 N556 K557	E549-E553 WeakPolarHBondContact O-CB 3.45Å; E549-E553 PolarHBondContact O-N 3.38Å; R550-E553 IonicContact NH1-OE2 3.96Å; R550-E553 WeakPolarHBondContact O-CB 3.45Å; R550-E553 PolarHBondContact O-N 3.21Å; E553-N556 PolarHBondContact O-N 3.45Å; E553-K557 HydrophobicContact CG-CD 4.03Å; E553-K557 VanDerWaalsContact CG-CE 3.49Å; E553-K557 HydrophobicContact CG-CG 4.43Å; E553-K557 WeakPolarHBondContact O-CB 3.46Å; E553-K557 WeakPolarHBondContact O-CG 3.32Å; E553-K557 PolarHBondContact O-N 3.01Å; E553-K557 WeakPolarHBondContact OE1-CE 3.41Å; E553-K557 IonicContact OE1-NZ 3.32Å; E553-K557 PolarHBondContact OE1-NZ 3.39Å; E553-K557 IonicContact OE2-NZ 2.76Å
554	W	89.1	Confident	88.9	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.008	24%	0.244	C	C	.	.	H	α-helix	trans	-66.8	-43.9	177.8	-66	-37.8	0	0	0	113.6	F394 M398 Y401 R550 F551 I552 N556 K557 Y558 Y562	F394-W554 AromaticContact CD2-CD1 3.86Å; F394-W554 HydrophobicContact CD2-CG 4.5Å; F394-W554 HydrophobicContact CE2-CB 3.55Å; F394-W554 AromaticContact CE2-CD1 3.5Å; F394-W554 AromaticContact CE2-CG 3.75Å; F394-W554 HydrophobicContact CE2-CG 3.75Å; F394-W554 HydrophobicContact CZ-CB 3.93Å; F394-W554 HydrophobicContact CZ-CG 4.39Å; M398-W554 HydrophobicContact CB-CD2 4.15Å; M398-W554 HydrophobicContact CB-CE3 4.4Å; M398-W554 HydrophobicContact CB-CH2 4.31Å; M398-W554 HydrophobicContact CB-CZ2 4.06Å; M398-W554 HydrophobicContact CB-CZ3 4.48Å; M398-W554 HydrophobicContact CE-CB 3.6Å; M398-W554 HydrophobicContact CE-CD2 3.77Å; M398-W554 HydrophobicContact CE-CE3 3.89Å; M398-W554 HydrophobicContact CE-CG 3.66Å; M398-W554 HydrophobicContact CG-CD2 4.05Å; M398-W554 HydrophobicContact CG-CE3 3.82Å; M398-W554 HydrophobicContact CG-CH2 4.1Å; M398-W554 HydrophobicContact CG-CZ2 4.32Å; M398-W554 HydrophobicContact CG-CZ3 3.86Å; Y401-W554 AromaticContact CD1-CH2 3.5Å; Y401-W554 HydrophobicContact CD1-CH2 3.5Å; Y401-W554 VanDerWaalsContact CD1-CH2 3.5Å; Y401-W554 HydrophobicContact CD1-CZ2 4.43Å; Y401-W554 HydrophobicContact CD1-CZ3 4.27Å; Y401-W554 HydrophobicContact CE1-CH2 4.13Å; Y401-W554 AromaticContact CG-CH2 3.77Å; Y401-W554 HydrophobicContact CG-CH2 3.77Å; Y401-W554 HydrophobicContact CG-CZ2 4.28Å; R550-W554 HydrophobicContact CB-CH2 4.15Å; R550-W554 HydrophobicContact CB-CZ2 4.41Å; R550-W554 HydrophobicContact CB-CZ3 4.25Å; R550-W554 VanDerWaalsContact O-CD2 3.29Å; R550-W554 PolarHBondContact O-N 3.03Å; F551-W554 AromaticContact CD1-CE3 3.76Å; F551-W554 HydrophobicContact CD1-CE3 3.76Å; F551-W554 AromaticContact CD1-CZ3 3.84Å; F551-W554 HydrophobicContact CD1-CZ3 3.84Å; F551-W554 HydrophobicContact CE1-CE3 4.03Å; F551-W554 AromaticContact CE1-CZ3 3.71Å; F551-W554 HydrophobicContact CE1-CZ3 3.71Å; F551-W554 HydrophobicContact CE2-CZ3 4.42Å; F551-W554 HydrophobicContact CG-CE3 4.24Å; F551-W554 HydrophobicContact CG-CZ3 4.25Å; F551-W554 HydrophobicContact CZ-CZ3 4.01Å; I552-W554 VanDerWaalsContact C-N 3.34Å; I552-W554 PolarHBondContact O-N 2.77Å; W554-N556 PolarHBondContact O-N 3.12Å; W554-K557 PolarHBondContact O-N 2.74Å; W554-Y558 PolarHBondContact O-N 3.13Å; W554-Y558 VanDerWaalsContact O-N 3.08Å; W554-Y562 HydrophobicContact CB-CD2 4.06Å; W554-Y562 HydrophobicContact CB-CE2 4.45Å
555	R	86.9	Confident	88.5	Confident	7 Å²	7	52.6 Å²	52.6	3%	0.026	26%	0.26	C	S	.	.	H	α-helix	trans	-58	-34.8	175.4	-175.2	174.4	66.9	-178.7	-1.4	111.8	F551 I552 P559 Y562 F608 D661	F551-R555 VanDerWaalsContact O-CB 3.22Å; F551-R555 WeakPolarHBondContact O-CB 3.16Å; F551-R555 PolarHBondContact O-N 3.4Å; I552-R555 PolarHBondContact O-N 2.82Å; R555-P559 WeakPolarHBondContact O-CA 3.22Å; R555-P559 WeakPolarHBondContact O-CB 3.38Å; R555-Y562 HydrophobicContact CB-CD1 4.35Å; R555-Y562 HydrophobicContact CB-CD2 4.02Å; R555-Y562 HydrophobicContact CB-CE1 4.39Å; R555-Y562 HydrophobicContact CB-CE2 4.05Å; R555-Y562 HydrophobicContact CB-CG 4.18Å; R555-Y562 HydrophobicContact CG-CD1 4.29Å; R555-Y562 HydrophobicContact CG-CE1 4.35Å; R555-F608 PolarHBondContact NH1-O 3.44Å; R555-F608 VanDerWaalsContact NH1-O 3.12Å; R555-F608 PolarHBondContact NH2-O 3.35Å; R555-D661 WeakPolarHBondContact CD-OD2 3.45Å; R555-D661 IonicContact CZ-OD2 3.92Å; R555-D661 IonicContact NE-OD2 2.7Å; R555-D661 IonicContact NH1-OD2 3.71Å; R555-D661 PolarHBondContact NH1-OD2 3.18Å
556	N	87.5	Confident	88.3	Confident	71 Å²	71	57.4 Å²	57.4	38%	0.38	27%	0.271	S	S	.	.	H	α-helix	trans	-81.8	-40	178.1	-71.8	-24.6	0	0	0	113.5	I552 E553 W554	I552-N556 WeakPolarHBondContact CG2-ND2 3.41Å; I552-N556 WeakPolarHBondContact O-CB 3.32Å; I552-N556 PolarHBondContact O-N 2.9Å; I552-N556 PolarHBondContact O-ND2 2.87Å; E553-N556 PolarHBondContact O-N 3.45Å; W554-N556 PolarHBondContact O-N 3.12Å
557	K	85.8	Confident	88	Confident	99 Å²	99	55.5 Å²	55.5	43%	0.43	26%	0.261	S	S	.	.	H	α-helix	trans	-67.7	-45.5	-179.7	-76.5	177.4	-178.1	168.2	0	112.4	E553 W554	E553-K557 HydrophobicContact CG-CD 4.03Å; E553-K557 VanDerWaalsContact CG-CE 3.49Å; E553-K557 HydrophobicContact CG-CG 4.43Å; E553-K557 WeakPolarHBondContact O-CB 3.46Å; E553-K557 WeakPolarHBondContact O-CG 3.32Å; E553-K557 PolarHBondContact O-N 3.01Å; E553-K557 WeakPolarHBondContact OE1-CE 3.41Å; E553-K557 IonicContact OE1-NZ 3.32Å; E553-K557 PolarHBondContact OE1-NZ 3.39Å; E553-K557 IonicContact OE2-NZ 2.76Å; W554-K557 PolarHBondContact O-N 2.74Å
558	Y	84.2	Confident	87.5	Confident	68 Å²	68	56.2 Å²	56.2	27%	0.267	27%	0.266	S	S	.	.			trans	-140.9	73.2	-175.4	-65	-82.2	0	0	0	111.8	K390 Q391 F394 W554 E560 S561 Y562	K390-Y558 WeakPolarHBondContact CB-OH 3.5Å; Q391-Y558 HydrophobicContact CG-CD1 4.03Å; Q391-Y558 HydrophobicContact CG-CE1 3.97Å; F394-Y558 HydrophobicContact CB-CD2 3.93Å; F394-Y558 HydrophobicContact CB-CE2 3.98Å; F394-Y558 HydrophobicContact CD1-CD2 4.16Å; F394-Y558 HydrophobicContact CD1-CG 4.35Å; F394-Y558 AromaticContact CD2-CD2 3.38Å; F394-Y558 HydrophobicContact CD2-CD2 3.38Å; F394-Y558 HydrophobicContact CD2-CE2 4.07Å; F394-Y558 HydrophobicContact CD2-CG 4.24Å; F394-Y558 AromaticContact CE2-CD2 3.77Å; F394-Y558 HydrophobicContact CE2-CD2 3.77Å; F394-Y558 HydrophobicContact CE2-CG 4.36Å; F394-Y558 AromaticContact CG-CD2 3.55Å; F394-Y558 HydrophobicContact CG-CD2 3.55Å; F394-Y558 HydrophobicContact CG-CE2 4.12Å; F394-Y558 HydrophobicContact CG-CG 4.19Å; F394-Y558 HydrophobicContact CZ-CD2 4.34Å; W554-Y558 PolarHBondContact O-N 3.13Å; W554-Y558 VanDerWaalsContact O-N 3.08Å; Y558-E560 PolarHBondContact O-N 3.31Å; Y558-S561 PolarHBondContact O-N 3.02Å; Y558-Y562 WeakPolarHBondContact O-CB 3.33Å; Y558-Y562 PolarHBondContact O-N 2.68Å
559	P	84.8	Confident	87.2	Confident	47 Å²	47	59.6 Å²	59.6	31%	0.305	28%	0.284	S	S	.	.	H	α-helix	trans	-60.4	-39.9	-174.4	21.5	-33.2	0	0	0	113.7	R555 Q563 L613	R555-P559 WeakPolarHBondContact O-CA 3.22Å; R555-P559 WeakPolarHBondContact O-CB 3.38Å; P559-Q563 WeakPolarHBondContact O-CB 3.3Å; P559-Q563 PolarHBondContact O-N 3.22Å; P559-L613 HydrophobicContact CB-CD2 4.14Å
560	E	84.4	Confident	87.1	Confident	136 Å²	136	56.4 Å²	56.4	64%	0.636	27%	0.274	S	S	*	.	H	α-helix	trans	-65.4	-40.9	177.7	-63.6	-169.5	161.4	0	0	112	Y558 Q563 Q564	Y558-E560 PolarHBondContact O-N 3.31Å; E560-Q563 PolarHBondContact O-N 2.92Å; E560-Q564 WeakPolarHBondContact O-CB 3.42Å; E560-Q564 VanDerWaalsContact O-CG 3.23Å; E560-Q564 WeakPolarHBondContact O-CG 3.36Å; E560-Q564 PolarHBondContact O-N 3.36Å
561	S	85.9	Confident	87.1	Confident	4 Å²	4	52.9 Å²	52.9	3%	0.028	26%	0.261	C	S	.	.	H	α-helix	trans	-68.6	-42.9	178.3	-57.5	0	0	0	0	111.7	Y395 Y558 Q563 Q564 A565	Y395-S561 VanDerWaalsContact OH-CA 3.27Å; Y395-S561 WeakPolarHBondContact OH-CA 3.45Å; Y395-S561 VanDerWaalsContact OH-CB 3.3Å; Y395-S561 WeakPolarHBondContact OH-CB 3.21Å; Y395-S561 PolarHBondContact OH-O 3.15Å; Y558-S561 PolarHBondContact O-N 3.02Å; S561-Q563 VanDerWaalsContact C-N 3.31Å; S561-Q563 PolarHBondContact O-N 2.8Å; S561-Q564 PolarHBondContact O-N 3.4Å; S561-A565 PolarHBondContact O-N 3.49Å
562	Y	86.8	Confident	87.1	Confident	4 Å²	4	53 Å²	53	2%	0.016	26%	0.261	C	S	.	.	H	α-helix	trans	-57	-44.4	173.9	-174.2	-82.8	0	0	0	111.5	M398 F551 W554 R555 Y558 A565 I567	M398-Y562 HydrophobicContact CE-CD2 4.13Å; F551-Y562 HydrophobicContact CD1-CE2 4.1Å; W554-Y562 HydrophobicContact CB-CD2 4.06Å; W554-Y562 HydrophobicContact CB-CE2 4.45Å; R555-Y562 HydrophobicContact CB-CD1 4.35Å; R555-Y562 HydrophobicContact CB-CD2 4.02Å; R555-Y562 HydrophobicContact CB-CE1 4.39Å; R555-Y562 HydrophobicContact CB-CE2 4.05Å; R555-Y562 HydrophobicContact CB-CG 4.18Å; R555-Y562 HydrophobicContact CG-CD1 4.29Å; R555-Y562 HydrophobicContact CG-CE1 4.35Å; Y558-Y562 WeakPolarHBondContact O-CB 3.33Å; Y558-Y562 PolarHBondContact O-N 2.68Å; Y562-A565 PolarHBondContact O-N 3.08Å; Y562-I567 HydrophobicContact CD1-CD1 4.25Å; Y562-I567 HydrophobicContact CD2-CD1 3.37Å; Y562-I567 HydrophobicContact CE1-CB 4.18Å; Y562-I567 HydrophobicContact CE1-CD1 4.42Å; Y562-I567 HydrophobicContact CE2-CB 4.23Å; Y562-I567 HydrophobicContact CE2-CD1 3.6Å; Y562-I567 HydrophobicContact CE2-CG2 4.03Å; Y562-I567 HydrophobicContact CG-CD1 3.72Å
563	Q	84.3	Confident	87.2	Confident	88 Å²	88	57 Å²	57	41%	0.411	28%	0.279	S	S	.	.	H	α-helix	trans	-67.6	-42.7	177	-169	179.7	32	0	0	112.4	P559 E560 S561 A565 Y566	P559-Q563 WeakPolarHBondContact O-CB 3.3Å; P559-Q563 PolarHBondContact O-N 3.22Å; E560-Q563 PolarHBondContact O-N 2.92Å; S561-Q563 VanDerWaalsContact C-N 3.31Å; S561-Q563 PolarHBondContact O-N 2.8Å; Q563-A565 PolarHBondContact O-N 3.22Å; Q563-Y566 PolarHBondContact O-N 2.97Å
564	Q	86.1	Confident	87.4	Confident	125 Å²	125	54.5 Å²	54.5	58%	0.584	27%	0.268	S	S	*	.	H	α-helix	trans	-64.5	-25.7	178	-74.7	171.5	20	0	0	113.2	E560 S561 Y566	E560-Q564 WeakPolarHBondContact O-CB 3.42Å; E560-Q564 VanDerWaalsContact O-CG 3.23Å; E560-Q564 WeakPolarHBondContact O-CG 3.36Å; E560-Q564 PolarHBondContact O-N 3.36Å; S561-Q564 PolarHBondContact O-N 3.4Å; Q564-Y566 VanDerWaalsContact C-N 3.31Å; Q564-Y566 WeakPolarHBondContact O-CD2 3.4Å; Q564-Y566 VanDerWaalsContact O-CE2 3.31Å; Q564-Y566 WeakPolarHBondContact O-CE2 3.36Å
565	A	85.7	Confident	87.6	Confident	43 Å²	43	54.4 Å²	54.4	36%	0.355	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-4	173	0	0	0	0	0	114.3	Y395 S561 Y562 Q563 I567	Y395-A565 HydrophobicContact CE1-CB 4.13Å; S561-A565 PolarHBondContact O-N 3.49Å; Y562-A565 PolarHBondContact O-N 3.08Å; Q563-A565 PolarHBondContact O-N 3.22Å; A565-I567 HydrophobicContact CB-CD1 3.87Å; A565-I567 HydrophobicContact CB-CG1 3.8Å; A565-I567 PolarHBondContact O-N 2.97Å; A565-I567 VanDerWaalsContact O-N 3.14Å
566	Y	87.6	Confident	87.9	Confident	162 Å²	162	55.2 Å²	55.2	64%	0.635	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	26.1	177.7	-59	-81.5	0	0	0	115.6	Q563 Q564 S568 L569	Q563-Y566 PolarHBondContact O-N 2.97Å; Q564-Y566 VanDerWaalsContact C-N 3.31Å; Q564-Y566 WeakPolarHBondContact O-CD2 3.4Å; Q564-Y566 VanDerWaalsContact O-CE2 3.31Å; Q564-Y566 WeakPolarHBondContact O-CE2 3.36Å; Y566-S568 VanDerWaalsContact C-N 3.31Å; Y566-S568 PolarHBondContact O-N 2.88Å; Y566-L569 HydrophobicContact CD1-CD1 4.21Å; Y566-L569 HydrophobicContact CG-CD1 4.49Å; Y566-L569 VanDerWaalsContact O-CB 3.32Å; Y566-L569 WeakPolarHBondContact O-CB 3.44Å; Y566-L569 PolarHBondContact O-N 3.43Å
567	I	87.6	Confident	88.3	Confident	8 Å²	8	52.3 Å²	52.3	4%	0.041	26%	0.259	C	S	.	.	H	α-helix	trans	-55.6	-42.2	-170.6	-62.7	154	0	0	0	112.2	M398 F551 Y562 A565 L569 C570 L571	M398-I567 HydrophobicContact CE-CD1 3.54Å; M398-I567 HydrophobicContact SD-CD1 3.34Å; M398-I567 WeakPolarHBondContact SD-CD1 3.35Å; M398-I567 HydrophobicContact SD-CG1 4.12Å; F551-I567 HydrophobicContact CD1-CG2 3.77Å; F551-I567 HydrophobicContact CE1-CG2 3.58Å; Y562-I567 HydrophobicContact CD1-CD1 4.25Å; Y562-I567 HydrophobicContact CD2-CD1 3.37Å; Y562-I567 HydrophobicContact CE1-CB 4.18Å; Y562-I567 HydrophobicContact CE1-CD1 4.42Å; Y562-I567 HydrophobicContact CE2-CB 4.23Å; Y562-I567 HydrophobicContact CE2-CD1 3.6Å; Y562-I567 HydrophobicContact CE2-CG2 4.03Å; Y562-I567 HydrophobicContact CG-CD1 3.72Å; A565-I567 HydrophobicContact CB-CD1 3.87Å; A565-I567 HydrophobicContact CB-CG1 3.8Å; A565-I567 PolarHBondContact O-N 2.97Å; A565-I567 VanDerWaalsContact O-N 3.14Å; I567-L569 PolarHBondContact O-N 2.82Å; I567-C570 PolarHBondContact O-N 3.38Å; I567-C570 PolarHBondContact O-SG 3.18Å; I567-L571 HydrophobicContact CG2-CD1 4.47Å; I567-L571 HydrophobicContact CG2-CD2 3.82Å; I567-L571 HydrophobicContact CG2-CG 4.07Å; I567-L571 PolarHBondContact O-N 2.71Å
568	S	85	Confident	88.7	Confident	15 Å²	15	47.9 Å²	47.9	11%	0.105	24%	0.241	C	C	.	.	H	α-helix	trans	-54.3	-20.4	177.4	-45.3	0	0	0	0	114.4	Y566 D661	Y566-S568 VanDerWaalsContact C-N 3.31Å; Y566-S568 PolarHBondContact O-N 2.88Å; S568-D661 WeakPolarHBondContact CB-OD1 3.46Å; S568-D661 PolarHBondContact OG-OD1 3.05Å
569	L	86	Confident	89.2	Confident	76 Å²	76	44.7 Å²	44.7	40%	0.398	23%	0.228	S	C	.	.	H	α-helix	trans	-78.5	-30.4	175.1	-56.1	-173.2	0	0	0	113.3	Y566 I567	Y566-L569 HydrophobicContact CD1-CD1 4.21Å; Y566-L569 HydrophobicContact CG-CD1 4.49Å; Y566-L569 VanDerWaalsContact O-CB 3.32Å; Y566-L569 WeakPolarHBondContact O-CB 3.44Å; Y566-L569 PolarHBondContact O-N 3.43Å; I567-L569 PolarHBondContact O-N 2.82Å
570	C	89.2	Confident	89.7	Confident	53 Å²	53	44.9 Å²	44.9	36%	0.358	22%	0.223	S	C	.	.	H	α-helix	trans	-93.8	-23.9	-178.3	74.1	0	0	0	0	113.8	I567 P572 Q573 L574	I567-C570 PolarHBondContact O-N 3.38Å; I567-C570 PolarHBondContact O-SG 3.18Å; C570-P572 VanDerWaalsContact C-CD 3.48Å; C570-Q573 WeakPolarHBondContact O-CA 3.39Å; C570-Q573 WeakPolarHBondContact O-CB 3.48Å; C570-Q573 PolarHBondContact O-N 3.49Å; C570-L574 PolarHBondContact O-N 2.8Å
571	L	91.9	Very high	90.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-48	-44	-179.2	-65.9	-173.1	0	0	0	115.1	F551 I567 Q573 L574 F575 F608 I664	F551-L571 HydrophobicContact CD1-CD2 3.87Å; F551-L571 HydrophobicContact CD2-CD2 4.19Å; F551-L571 HydrophobicContact CE1-CD2 3.66Å; F551-L571 HydrophobicContact CE2-CD2 3.99Å; F551-L571 HydrophobicContact CG-CD2 4.16Å; F551-L571 HydrophobicContact CZ-CD2 3.74Å; I567-L571 HydrophobicContact CG2-CD1 4.47Å; I567-L571 HydrophobicContact CG2-CD2 3.82Å; I567-L571 HydrophobicContact CG2-CG 4.07Å; I567-L571 PolarHBondContact O-N 2.71Å; L571-Q573 PolarHBondContact O-N 2.87Å; L571-Q573 VanDerWaalsContact O-N 3.16Å; L571-L574 HydrophobicContact CD2-CD2 4.13Å; L571-L574 PolarHBondContact O-N 2.85Å; L571-L574 VanDerWaalsContact O-N 3.16Å; L571-F575 HydrophobicContact CB-CD2 4.28Å; L571-F575 HydrophobicContact CB-CE2 3.73Å; L571-F575 HydrophobicContact CB-CZ 4.25Å; L571-F575 HydrophobicContact CD1-CE2 4.28Å; L571-F575 HydrophobicContact CD1-CZ 4.43Å; L571-F575 HydrophobicContact CD2-CE1 4.46Å; L571-F575 HydrophobicContact CD2-CE2 4.14Å; L571-F575 HydrophobicContact CD2-CZ 3.75Å; L571-F575 HydrophobicContact CG-CE2 4.25Å; L571-F575 HydrophobicContact CG-CZ 4.34Å; L571-F575 VanDerWaalsContact O-CD2 3.28Å; L571-F575 WeakPolarHBondContact O-CD2 3.39Å; L571-F575 WeakPolarHBondContact O-CG 3.29Å; L571-F575 PolarHBondContact O-N 3.49Å; L571-F608 HydrophobicContact CD1-CE1 3.97Å; L571-F608 HydrophobicContact CD1-CZ 3.92Å; L571-I664 HydrophobicContact CB-CD1 4.3Å; L571-I664 HydrophobicContact CB-CG1 4.4Å; L571-I664 HydrophobicContact CD1-CD1 3.66Å
572	P	90.9	Very high	90.5	Very high	1 Å²	1	42 Å²	42	1%	0.006	21%	0.209	C	C	.	.	H	α-helix	trans	-62.7	-21.5	176.2	-24.7	36	0	0	0	114.9	C570 I664 K667	C570-P572 VanDerWaalsContact C-CD 3.48Å; P572-I664 HydrophobicContact CG-CB 4.45Å; P572-I664 HydrophobicContact CG-CG2 4.2Å; P572-K667 HydrophobicContact CB-CB 3.94Å; P572-K667 HydrophobicContact CG-CB 3.7Å; P572-K667 HydrophobicContact CG-CD 4.05Å
573	Q	91.8	Very high	90.9	Very high	120 Å²	120	41.9 Å²	41.9	56%	0.561	21%	0.209	S	C	*	.	H	α-helix	trans	-89.7	-37.5	174.3	-72.6	175.1	-38	0	0	111.1	C570 L571 S576 K671	C570-Q573 WeakPolarHBondContact O-CA 3.39Å; C570-Q573 WeakPolarHBondContact O-CB 3.48Å; C570-Q573 PolarHBondContact O-N 3.49Å; L571-Q573 PolarHBondContact O-N 2.87Å; L571-Q573 VanDerWaalsContact O-N 3.16Å; Q573-S576 WeakPolarHBondContact O-CB 3.31Å; Q573-S576 PolarHBondContact O-N 2.76Å; Q573-K671 HydrophobicContact CG-CD 4.34Å
574	L	93.4	Very high	91.4	Very high	16 Å²	16	37.8 Å²	37.8	8%	0.084	19%	0.19	C	C	.	.	H	α-helix	trans	-61.2	-45.7	176.7	-172.8	63.2	0	0	0	112	L405 I406 F409 F551 C570 L571 S576 P577	L405-L574 HydrophobicContact CD2-CD1 3.95Å; L405-L574 HydrophobicContact CD2-CD2 4Å; L405-L574 HydrophobicContact CD2-CG 4.08Å; L405-L574 HydrophobicContact CG-CD1 4.33Å; I406-L574 HydrophobicContact CD1-CD1 4.38Å; I406-L574 HydrophobicContact CG1-CD1 3.79Å; F409-L574 WeakPolarHBondContact CD2-O 3.39Å; F409-L574 VanDerWaalsContact CE2-O 3.24Å; F409-L574 WeakPolarHBondContact CE2-O 3.27Å; F551-L574 HydrophobicContact CE2-CD2 3.69Å; F551-L574 HydrophobicContact CZ-CD2 3.43Å; F551-L574 VanDerWaalsContact CZ-CD2 3.43Å; C570-L574 PolarHBondContact O-N 2.8Å; L571-L574 HydrophobicContact CD2-CD2 4.13Å; L571-L574 PolarHBondContact O-N 2.85Å; L571-L574 VanDerWaalsContact O-N 3.16Å; L574-S576 PolarHBondContact O-N 3.34Å; L574-P577 WeakPolarHBondContact O-CD 3.35Å
575	F	93.3	Very high	91.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-1.7	179.7	-51.3	-37.7	0	0	0	114.2	L544 I547 L548 F551 L571 P577 I578 I579 L605	L544-F575 HydrophobicContact CD1-CB 4.13Å; L544-F575 HydrophobicContact CD1-CD1 3.56Å; L544-F575 HydrophobicContact CD1-CD2 4.16Å; L544-F575 HydrophobicContact CD1-CE1 3.97Å; L544-F575 HydrophobicContact CD1-CE2 4.49Å; L544-F575 HydrophobicContact CD1-CG 3.68Å; L544-F575 HydrophobicContact CD1-CZ 4.41Å; I547-F575 HydrophobicContact CG2-CE1 3.77Å; L548-F575 HydrophobicContact CD2-CE1 4.32Å; L548-F575 HydrophobicContact CD2-CE2 3.55Å; L548-F575 HydrophobicContact CD2-CZ 3.42Å; L548-F575 VanDerWaalsContact CD2-CZ 3.42Å; L548-F575 HydrophobicContact CG-CZ 4.33Å; F551-F575 HydrophobicContact CD2-CE1 4.41Å; F551-F575 HydrophobicContact CD2-CZ 4.17Å; F551-F575 HydrophobicContact CE2-CE1 4.19Å; F551-F575 HydrophobicContact CE2-CZ 4.29Å; L571-F575 HydrophobicContact CB-CD2 4.28Å; L571-F575 HydrophobicContact CB-CE2 3.73Å; L571-F575 HydrophobicContact CB-CZ 4.25Å; L571-F575 HydrophobicContact CD1-CE2 4.28Å; L571-F575 HydrophobicContact CD1-CZ 4.43Å; L571-F575 HydrophobicContact CD2-CE1 4.46Å; L571-F575 HydrophobicContact CD2-CE2 4.14Å; L571-F575 HydrophobicContact CD2-CZ 3.75Å; L571-F575 HydrophobicContact CG-CE2 4.25Å; L571-F575 HydrophobicContact CG-CZ 4.34Å; L571-F575 VanDerWaalsContact O-CD2 3.28Å; L571-F575 WeakPolarHBondContact O-CD2 3.39Å; L571-F575 WeakPolarHBondContact O-CG 3.29Å; L571-F575 PolarHBondContact O-N 3.49Å; F575-P577 VanDerWaalsContact C-CD 3.47Å; F575-I578 PolarHBondContact O-N 3.14Å; F575-I579 HydrophobicContact CB-CD1 4.02Å; F575-I579 HydrophobicContact CB-CG1 4.48Å; F575-I579 WeakPolarHBondContact O-CG1 3.34Å; F575-I579 PolarHBondContact O-N 2.9Å; F575-L605 HydrophobicContact CD2-CD2 3.64Å; F575-L605 HydrophobicContact CE2-CD2 3.75Å
576	S	94.4	Very high	92	Very high	23 Å²	23	32 Å²	32	16%	0.161	16%	0.162	C	C	.	.	H	α-helix	trans	-52.9	-44	-178.8	-177.3	0	0	0	0	113.9	Q573 L574 I578 I579 R580	Q573-S576 WeakPolarHBondContact O-CB 3.31Å; Q573-S576 PolarHBondContact O-N 2.76Å; L574-S576 PolarHBondContact O-N 3.34Å; S576-I578 PolarHBondContact O-N 3.42Å; S576-I579 PolarHBondContact O-N 3.31Å; S576-R580 WeakPolarHBondContact O-CB 3.36Å; S576-R580 WeakPolarHBondContact O-CD 3.36Å; S576-R580 WeakPolarHBondContact O-CG 3.47Å; S576-R580 PolarHBondContact O-N 3.41Å
577	P	94.6	Very high	92.2	Very high	10 Å²	10	24.6 Å²	24.6	7%	0.065	13%	0.134	C	C	.	.	H	α-helix	trans	-60.6	-43.4	177.9	-24.8	37.9	0	0	0	113.4	F409 I416 L574 F575 R580 I581	F409-P577 HydrophobicContact CB-CB 4.46Å; F409-P577 HydrophobicContact CB-CG 3.92Å; F409-P577 HydrophobicContact CD1-CB 4.43Å; F409-P577 HydrophobicContact CD2-CB 4.35Å; F409-P577 HydrophobicContact CD2-CG 3.77Å; F409-P577 HydrophobicContact CE2-CG 4.44Å; F409-P577 HydrophobicContact CG-CB 4.17Å; F409-P577 HydrophobicContact CG-CG 3.85Å; I416-P577 HydrophobicContact CD1-CB 3.68Å; L574-P577 WeakPolarHBondContact O-CD 3.35Å; F575-P577 VanDerWaalsContact C-CD 3.47Å; P577-R580 PolarHBondContact O-N 3.15Å; P577-I581 PolarHBondContact O-N 3.27Å
578	I	94.4	Very high	92.4	Very high	7 Å²	7	24.9 Å²	24.9	4%	0.036	14%	0.136	C	C	.	.	H	α-helix	trans	-71	-41.3	179.7	-59.6	169.2	0	0	0	111	F409 C542 L544 I547 F575 S576 R580 I581 Q582	F409-I578 HydrophobicContact CE1-CD1 4.32Å; F409-I578 HydrophobicContact CE1-CG1 4.3Å; F409-I578 HydrophobicContact CZ-CD1 3.67Å; F409-I578 HydrophobicContact CZ-CG1 3.95Å; C542-I578 WeakPolarHBondContact O-CD1 3.31Å; L544-I578 HydrophobicContact CB-CD1 4.25Å; L544-I578 HydrophobicContact CB-CG2 4.18Å; L544-I578 HydrophobicContact CD1-CD1 4.4Å; I547-I578 HydrophobicContact CD1-CD1 3.56Å; F575-I578 PolarHBondContact O-N 3.14Å; S576-I578 PolarHBondContact O-N 3.42Å; I578-R580 VanDerWaalsContact C-N 3.32Å; I578-R580 PolarHBondContact O-N 3.37Å; I578-I581 WeakPolarHBondContact O-CG2 3.45Å; I578-I581 PolarHBondContact O-N 2.93Å; I578-Q582 WeakPolarHBondContact O-CG 3.36Å; I578-Q582 PolarHBondContact O-N 2.96Å
579	I	95.4	Very high	92.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-64.9	-41.7	176.4	-63.5	167.4	0	0	0	109.8	F575 S576 Q582 L583 W601 L605 I672	F575-I579 HydrophobicContact CB-CD1 4.02Å; F575-I579 HydrophobicContact CB-CG1 4.48Å; F575-I579 WeakPolarHBondContact O-CG1 3.34Å; F575-I579 PolarHBondContact O-N 2.9Å; S576-I579 PolarHBondContact O-N 3.31Å; I579-Q582 PolarHBondContact O-N 2.98Å; I579-L583 HydrophobicContact CG2-CD1 3.79Å; I579-L583 HydrophobicContact CG2-CG 4.43Å; I579-L583 VanDerWaalsContact O-CG 3.23Å; I579-L583 WeakPolarHBondContact O-CG 3.44Å; I579-L583 PolarHBondContact O-N 3.3Å; I579-L583 VanDerWaalsContact O-N 3.12Å; I579-W601 HydrophobicContact CB-CD2 4.43Å; I579-W601 HydrophobicContact CD1-CD2 4.45Å; I579-W601 HydrophobicContact CD1-CE3 3.81Å; I579-W601 HydrophobicContact CD1-CZ3 4.2Å; I579-W601 HydrophobicContact CG1-CB 4.1Å; I579-W601 HydrophobicContact CG1-CD2 3.93Å; I579-W601 HydrophobicContact CG1-CE3 3.79Å; I579-W601 HydrophobicContact CG1-CG 4.08Å; I579-W601 HydrophobicContact CG2-CD2 3.85Å; I579-W601 HydrophobicContact CG2-CE3 4.11Å; I579-W601 HydrophobicContact CG2-CG 4.29Å; I579-W601 HydrophobicContact CG2-CH2 4.47Å; I579-W601 HydrophobicContact CG2-CZ2 4.21Å; I579-W601 HydrophobicContact CG2-CZ3 4.42Å; I579-L605 HydrophobicContact CD1-CD1 4.2Å; I579-I672 HydrophobicContact CB-CD1 4.06Å; I579-I672 HydrophobicContact CB-CG2 4.43Å; I579-I672 HydrophobicContact CD1-CD1 3.65Å; I579-I672 HydrophobicContact CG1-CD1 4.45Å; I579-I672 HydrophobicContact CG2-CB 4.39Å; I579-I672 HydrophobicContact CG2-CD1 4.09Å; I579-I672 HydrophobicContact CG2-CG2 3.86Å
580	R	95.7	Very high	92.6	Very high	52 Å²	52	23.5 Å²	23.5	20%	0.196	13%	0.128	C	C	.	.	H	α-helix	trans	-60.7	-44.6	176.6	-77.3	170.7	77	174.2	2.5	112.6	I416 E420 S576 P577 I578 Q582 L583 I584 I672	I416-R580 HydrophobicContact CG2-CB 4.06Å; E420-R580 WeakPolarHBondContact OE1-CB 3.38Å; E420-R580 WeakPolarHBondContact OE1-CG 3.16Å; E420-R580 IonicContact OE1-CZ 3.27Å; E420-R580 IonicContact OE1-NE 2.73Å; E420-R580 PolarHBondContact OE1-NE 2.88Å; E420-R580 IonicContact OE1-NH2 2.87Å; E420-R580 IonicContact OE2-CZ 3.96Å; E420-R580 IonicContact OE2-NE 2.78Å; E420-R580 PolarHBondContact OE2-NE 2.93Å; E420-R580 IonicContact OE2-NH2 3.83Å; E420-R580 PolarHBondContact OE2-NH2 3.14Å; S576-R580 WeakPolarHBondContact O-CB 3.36Å; S576-R580 WeakPolarHBondContact O-CD 3.36Å; S576-R580 WeakPolarHBondContact O-CG 3.47Å; S576-R580 PolarHBondContact O-N 3.41Å; P577-R580 PolarHBondContact O-N 3.15Å; I578-R580 VanDerWaalsContact C-N 3.32Å; I578-R580 PolarHBondContact O-N 3.37Å; R580-Q582 VanDerWaalsContact C-N 3.33Å; R580-Q582 PolarHBondContact O-N 2.94Å; R580-L583 PolarHBondContact O-N 3.42Å; R580-I584 PolarHBondContact O-N 2.75Å; R580-I672 HydrophobicContact CG-CG2 3.72Å
581	I	94.4	Very high	91.9	Very high	21 Å²	21	26 Å²	26	11%	0.108	14%	0.138	C	C	.	.	H	α-helix	trans	-63.4	-39.9	-179.9	-147.1	167.4	0	0	0	111.7	A530 L533 F534 P577 I578 L583 I584	A530-I581 HydrophobicContact CB-CD1 4.37Å; A530-I581 HydrophobicContact CB-CG1 3.96Å; A530-I581 WeakPolarHBondContact O-CD1 3.45Å; L533-I581 HydrophobicContact CB-CD1 3.89Å; L533-I581 HydrophobicContact CD2-CD1 3.59Å; L533-I581 HydrophobicContact CG-CD1 4.31Å; F534-I581 HydrophobicContact CD2-CD1 4.03Å; F534-I581 HydrophobicContact CE2-CD1 3.71Å; P577-I581 PolarHBondContact O-N 3.27Å; I578-I581 WeakPolarHBondContact O-CG2 3.45Å; I578-I581 PolarHBondContact O-N 2.93Å; I581-L583 VanDerWaalsContact C-N 3.26Å; I581-L583 PolarHBondContact O-N 3.33Å; I581-I584 HydrophobicContact CB-CD1 4.39Å; I581-I584 HydrophobicContact CG1-CD1 3.72Å; I581-I584 WeakPolarHBondContact O-CB 3.31Å; I581-I584 WeakPolarHBondContact O-CG1 3.3Å; I581-I584 PolarHBondContact O-N 3.45Å
582	Q	93	Very high	91	Very high	59 Å²	59	34.2 Å²	34.2	28%	0.276	18%	0.176	S	C	.	.	H	α-helix	trans	-67.6	-22.4	174.2	-64.7	-172.7	32.6	0	0	113.5	I578 I579 R580 W601	I578-Q582 WeakPolarHBondContact O-CG 3.36Å; I578-Q582 PolarHBondContact O-N 2.96Å; I579-Q582 PolarHBondContact O-N 2.98Å; R580-Q582 VanDerWaalsContact C-N 3.33Å; R580-Q582 PolarHBondContact O-N 2.94Å; Q582-W601 VanDerWaalsContact OE1-N 3.08Å
583	L	94.7	Very high	90.5	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-2.6	177.8	-69.3	169.9	0	0	0	114.5	I579 R580 I581 G585 W586 M599 I672 V673 R676	I579-L583 HydrophobicContact CG2-CD1 3.79Å; I579-L583 HydrophobicContact CG2-CG 4.43Å; I579-L583 VanDerWaalsContact O-CG 3.23Å; I579-L583 WeakPolarHBondContact O-CG 3.44Å; I579-L583 PolarHBondContact O-N 3.3Å; I579-L583 VanDerWaalsContact O-N 3.12Å; R580-L583 PolarHBondContact O-N 3.42Å; I581-L583 VanDerWaalsContact C-N 3.26Å; I581-L583 PolarHBondContact O-N 3.33Å; L583-G585 PolarHBondContact O-N 3.38Å; L583-W586 HydrophobicContact CD2-CB 4.2Å; L583-W586 HydrophobicContact CD2-CD2 3.94Å; L583-W586 HydrophobicContact CD2-CE3 3.61Å; L583-W586 HydrophobicContact CD2-CG 4.23Å; L583-W586 HydrophobicContact CD2-CZ3 4.23Å; L583-W586 PolarHBondContact O-N 3.04Å; L583-M599 HydrophobicContact CD2-CE 4.06Å; L583-M599 HydrophobicContact CD2-SD 3.91Å; L583-I672 HydrophobicContact CD1-CG2 3.97Å; L583-V673 HydrophobicContact CD1-CG2 4.18Å; L583-R676 HydrophobicContact CB-CG 4.29Å; L583-R676 PolarHBondContact O-NE 3.47Å; L583-R676 VanDerWaalsContact O-NE 3.07Å; L583-R676 PolarHBondContact O-NH2 3.43Å
584	I	93.9	Very high	90.1	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.01	19%	0.187	C	C	.	.	S	Bend	trans	-60.1	-48.4	-179.1	-70.4	170.1	0	0	0	111.4	L419 E420 S423 A530 R580 I581 W586 R676	L419-I584 HydrophobicContact CB-CD1 3.78Å; L419-I584 HydrophobicContact CD1-CD1 4.35Å; E420-I584 HydrophobicContact CG-CG1 4.05Å; S423-I584 WeakPolarHBondContact CB-O 3.25Å; S423-I584 PolarHBondContact OG-O 3.32Å; A530-I584 HydrophobicContact CB-CD1 3.9Å; R580-I584 PolarHBondContact O-N 2.75Å; I581-I584 HydrophobicContact CB-CD1 4.39Å; I581-I584 HydrophobicContact CG1-CD1 3.72Å; I581-I584 WeakPolarHBondContact O-CB 3.31Å; I581-I584 WeakPolarHBondContact O-CG1 3.3Å; I581-I584 PolarHBondContact O-N 3.45Å; I584-W586 VanDerWaalsContact C-N 3.34Å; I584-R676 PolarHBondContact O-NH2 2.99Å
585	G	90.9	Very high	89.9	Confident	30 Å²	30	37 Å²	37	31%	0.309	20%	0.203	S	C	.	.	S	Bend	trans	-79.2	-14.3	177.6	0	0	0	0	0	114.6	L583	L583-G585 PolarHBondContact O-N 3.38Å
586	W	93.5	Very high	89.7	Confident	15 Å²	15	37.8 Å²	37.8	6%	0.057	21%	0.207	C	C	.	.			trans	-78.8	125.6	-171	-175.9	76.8	0	0	0	112.1	L583 I584 P588 N594 I596 M599 V673 I677 L699	L583-W586 HydrophobicContact CD2-CB 4.2Å; L583-W586 HydrophobicContact CD2-CD2 3.94Å; L583-W586 HydrophobicContact CD2-CE3 3.61Å; L583-W586 HydrophobicContact CD2-CG 4.23Å; L583-W586 HydrophobicContact CD2-CZ3 4.23Å; L583-W586 PolarHBondContact O-N 3.04Å; I584-W586 VanDerWaalsContact C-N 3.34Å; W586-P588 HydrophobicContact CH2-CB 4.16Å; W586-P588 HydrophobicContact CH2-CG 3.78Å; W586-P588 HydrophobicContact CZ2-CB 3.86Å; W586-P588 HydrophobicContact CZ2-CG 3.97Å; W586-P588 HydrophobicContact CZ3-CG 4.12Å; W586-N594 PolarHBondContact NE1-O 3.02Å; W586-I596 HydrophobicContact CH2-CD1 3.96Å; W586-I596 HydrophobicContact CH2-CG1 3.89Å; W586-I596 HydrophobicContact CZ2-CD1 4.01Å; W586-I596 HydrophobicContact CZ2-CG1 3.51Å; W586-M599 HydrophobicContact CB-CE 3.96Å; W586-M599 HydrophobicContact CG-CE 3.96Å; W586-M599 HydrophobicContact CG-SD 4.28Å; W586-V673 HydrophobicContact CH2-CG1 4.01Å; W586-V673 HydrophobicContact CZ3-CG1 4Å; W586-I677 HydrophobicContact CH2-CD1 4.33Å; W586-I677 HydrophobicContact CH2-CG1 4.13Å; W586-I677 HydrophobicContact CZ3-CG1 4Å; W586-L699 HydrophobicContact CH2-CD1 4.37Å; W586-L699 HydrophobicContact CZ2-CD1 4.25Å
587	N	92.6	Very high	89.4	Confident	8 Å²	8	41.7 Å²	41.7	4%	0.043	22%	0.223	C	C	.	.			trans	-142.5	103.9	174.9	-175.3	-20.2	0	0	0	110.7	F427 L589 N590 A593 L680	F427-N587 WeakPolarHBondContact CD1-ND2 3.3Å; F427-N587 HydrophobicContact CE1-CB 4.07Å; F427-N587 HydrophobicContact CE2-CB 4.04Å; F427-N587 WeakPolarHBondContact CG-ND2 3.49Å; F427-N587 HydrophobicContact CZ-CB 3.76Å; N587-L589 PolarHBondContact O-N 3.23Å; N587-L589 VanDerWaalsContact O-N 3.09Å; N587-L589 VanDerWaalsContact OD1-CB 3.32Å; N587-L589 WeakPolarHBondContact OD1-CB 3.44Å; N587-L589 WeakPolarHBondContact OD1-CG 3.46Å; N587-L589 PolarHBondContact OD1-N 3.41Å; N587-N590 PolarHBondContact O-N 3.28Å; N587-A593 VanDerWaalsContact O-CB 3.29Å; N587-A593 WeakPolarHBondContact O-CB 3.28Å; N587-L680 HydrophobicContact CB-CD2 4.4Å
588	P	92.2	Very high	89.2	Confident	13 Å²	13	47.3 Å²	47.3	8%	0.084	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-3.1	-175.2	29.6	-34.8	0	0	0	114.6	W586 N590 L699	W586-P588 HydrophobicContact CH2-CB 4.16Å; W586-P588 HydrophobicContact CH2-CG 3.78Å; W586-P588 HydrophobicContact CZ2-CB 3.86Å; W586-P588 HydrophobicContact CZ2-CG 3.97Å; W586-P588 HydrophobicContact CZ3-CG 4.12Å; P588-N590 VanDerWaalsContact C-N 3.27Å; P588-L699 HydrophobicContact CB-CD1 3.84Å; P588-L699 HydrophobicContact CB-CD2 4.46Å; P588-L699 HydrophobicContact CG-CD1 4.42Å; P588-L699 HydrophobicContact CG-CD2 4.27Å
589	L	90.1	Very high	89.1	Confident	7 Å²	7	48.1 Å²	48.1	4%	0.037	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	4.3	176	-50.8	175.6	0	0	0	112.9	N587 W685 Q692 Q695 L696	N587-L589 PolarHBondContact O-N 3.23Å; N587-L589 VanDerWaalsContact O-N 3.09Å; N587-L589 VanDerWaalsContact OD1-CB 3.32Å; N587-L589 WeakPolarHBondContact OD1-CB 3.44Å; N587-L589 WeakPolarHBondContact OD1-CG 3.46Å; N587-L589 PolarHBondContact OD1-N 3.41Å; L589-W685 HydrophobicContact CD1-CB 3.74Å; L589-W685 HydrophobicContact CD1-CG 4.43Å; L589-Q692 HydrophobicContact CB-CG 4.36Å; L589-Q695 PolarHBondContact O-OE1 2.9Å; L589-L696 HydrophobicContact CD2-CB 3.83Å; L589-L696 HydrophobicContact CD2-CD1 4.28Å; L589-L696 HydrophobicContact CD2-CD2 4.45Å; L589-L696 HydrophobicContact CD2-CG 4.4Å
590	N	85	Confident	88.9	Confident	55 Å²	55	55.7 Å²	55.7	29%	0.294	29%	0.285	S	S	.	.	S	Bend	trans	-106.3	146.5	177.5	-71.3	-30.6	0	0	0	111	R430 N587 P588 H592 A593	R430-N590 PolarHBondContact NH1-OD1 3.47Å; N587-N590 PolarHBondContact O-N 3.28Å; P588-N590 VanDerWaalsContact C-N 3.27Å; N590-H592 PolarHBondContact O-N 2.99Å; N590-A593 PolarHBondContact O-N 2.79Å
591	N	73.2	Confident	88.9	Confident	105 Å²	105	53.2 Å²	53.2	56%	0.561	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-14.2	-178.8	-86.2	58.8	0	0	0	116.2
592	H	74.5	Confident	88.8	Confident	173 Å²	173	53 Å²	53	80%	0.801	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.3	27.2	-174.4	-53.6	-66.6	0	0	0	111.7	N590	N590-H592 PolarHBondContact O-N 2.99Å
593	A	80.2	Confident	88.8	Confident	36 Å²	36	54 Å²	54	30%	0.298	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-78	125.2	174.4	0	0	0	0	0	110.1	N587 N590	N587-A593 VanDerWaalsContact O-CB 3.29Å; N587-A593 WeakPolarHBondContact O-CB 3.28Å; N590-A593 PolarHBondContact O-N 2.79Å
594	N	83.3	Confident	88.7	Confident	95 Å²	95	55.8 Å²	55.8	51%	0.508	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-62.2	140.3	173.9	-61	7.1	0	0	0	109.7	W586	W586-N594 PolarHBondContact NE1-O 3.02Å
595	P	88	Confident	88.7	Confident	64 Å²	64	55.7 Å²	55.7	42%	0.416	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-50.3	148.4	164.5	-25.3	34.2	0	0	0	111.8	E597 E598	P595-E597 PolarHBondContact O-N 3.5Å; P595-E598 HydrophobicContact CB-CG 4.25Å; P595-E598 WeakPolarHBondContact CD-OE2 3.46Å; P595-E598 HydrophobicContact CG-CG 4.24Å; P595-E598 PolarHBondContact O-N 3.39Å; P595-E598 VanDerWaalsContact O-N 3.08Å
596	I	90.2	Very high	88.6	Confident	17 Å²	17	56.9 Å²	56.9	9%	0.087	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-58	-37.3	177	-64.9	163	0	0	0	110.6	W586 E598 M599 W601 F602 V673 L699 L703	W586-I596 HydrophobicContact CH2-CD1 3.96Å; W586-I596 HydrophobicContact CH2-CG1 3.89Å; W586-I596 HydrophobicContact CZ2-CD1 4.01Å; W586-I596 HydrophobicContact CZ2-CG1 3.51Å; I596-E598 PolarHBondContact O-N 2.95Å; I596-M599 WeakPolarHBondContact O-CB 3.33Å; I596-M599 WeakPolarHBondContact O-CG 3.48Å; I596-M599 PolarHBondContact O-N 3.23Å; I596-M599 VanDerWaalsContact O-N 3.17Å; I596-W601 HydrophobicContact CG2-CH2 4.19Å; I596-W601 HydrophobicContact CG2-CZ2 3.79Å; I596-F602 HydrophobicContact CG2-CD2 4.08Å; I596-F602 WeakPolarHBondContact O-CB 3.26Å; I596-V673 HydrophobicContact CD1-CG1 3.95Å; I596-L699 HydrophobicContact CD1-CD1 4.31Å; I596-L703 HydrophobicContact CD1-CD2 3.92Å
597	E	88.3	Confident	88.4	Confident	106 Å²	106	60.9 Å²	60.9	50%	0.495	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-62.4	-27.5	179	-67.8	159.6	-150.7	0	0	113.1	P595 M599 F602 Q603	P595-E597 PolarHBondContact O-N 3.5Å; E597-M599 VanDerWaalsContact C-N 3.34Å; E597-F602 HydrophobicContact CB-CD1 4.36Å; E597-F602 HydrophobicContact CB-CE1 4.15Å; E597-F602 HydrophobicContact CG-CE1 3.96Å; E597-F602 HydrophobicContact CG-CZ 3.95Å; E597-Q603 PolarHBondContact O-NE2 3.28Å
598	E	90.3	Very high	88.1	Confident	127 Å²	127	60.6 Å²	60.6	59%	0.593	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-86.2	-2.1	179	-66.8	179	-166.4	0	0	113.3	P595 I596	P595-E598 HydrophobicContact CB-CG 4.25Å; P595-E598 WeakPolarHBondContact CD-OE2 3.46Å; P595-E598 HydrophobicContact CG-CG 4.24Å; P595-E598 PolarHBondContact O-N 3.39Å; P595-E598 VanDerWaalsContact O-N 3.08Å; I596-E598 PolarHBondContact O-N 2.95Å
599	M	91.8	Very high	87.7	Confident	24 Å²	24	60.3 Å²	60.3	12%	0.118	31%	0.306	C	S	.	.	S	Bend	trans	-79.3	141	-179.7	-55.3	-167.9	88	0	0	111	L583 W586 I596 E597 W601 F602 Q603	L583-M599 HydrophobicContact CD2-CE 4.06Å; L583-M599 HydrophobicContact CD2-SD 3.91Å; W586-M599 HydrophobicContact CB-CE 3.96Å; W586-M599 HydrophobicContact CG-CE 3.96Å; W586-M599 HydrophobicContact CG-SD 4.28Å; I596-M599 WeakPolarHBondContact O-CB 3.33Å; I596-M599 WeakPolarHBondContact O-CG 3.48Å; I596-M599 PolarHBondContact O-N 3.23Å; I596-M599 VanDerWaalsContact O-N 3.17Å; E597-M599 VanDerWaalsContact C-N 3.34Å; M599-W601 PolarHBondContact O-N 2.98Å; M599-F602 WeakPolarHBondContact O-CB 3.45Å; M599-F602 PolarHBondContact O-N 3.02Å; M599-Q603 PolarHBondContact O-N 3.42Å
600	K	92.2	Very high	87	Confident	160 Å²	160	64.8 Å²	64.8	70%	0.696	33%	0.33	S	S	*	.	H	α-helix	trans	-51.3	-54.3	-176.5	-65.2	-175.5	177.2	-174.2	0	112.2	F602 Q603 D604	K600-F602 PolarHBondContact O-N 3.45Å; K600-Q603 PolarHBondContact O-N 3.08Å; K600-D604 VanDerWaalsContact C-OD2 3.27Å; K600-D604 PolarHBondContact O-N 2.88Å; K600-D604 VanDerWaalsContact O-OD2 3.12Å
601	W	94.1	Very high	86.1	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-54.1	-29.6	179.3	72.8	-92	0	0	0	114.3	L544 I579 Q582 I596 M599 D604 L605 I669 V673	L544-W601 HydrophobicContact CD2-CB 3.96Å; I579-W601 HydrophobicContact CB-CD2 4.43Å; I579-W601 HydrophobicContact CD1-CD2 4.45Å; I579-W601 HydrophobicContact CD1-CE3 3.81Å; I579-W601 HydrophobicContact CD1-CZ3 4.2Å; I579-W601 HydrophobicContact CG1-CB 4.1Å; I579-W601 HydrophobicContact CG1-CD2 3.93Å; I579-W601 HydrophobicContact CG1-CE3 3.79Å; I579-W601 HydrophobicContact CG1-CG 4.08Å; I579-W601 HydrophobicContact CG2-CD2 3.85Å; I579-W601 HydrophobicContact CG2-CE3 4.11Å; I579-W601 HydrophobicContact CG2-CG 4.29Å; I579-W601 HydrophobicContact CG2-CH2 4.47Å; I579-W601 HydrophobicContact CG2-CZ2 4.21Å; I579-W601 HydrophobicContact CG2-CZ3 4.42Å; Q582-W601 VanDerWaalsContact OE1-N 3.08Å; I596-W601 HydrophobicContact CG2-CH2 4.19Å; I596-W601 HydrophobicContact CG2-CZ2 3.79Å; M599-W601 PolarHBondContact O-N 2.98Å; W601-D604 WeakPolarHBondContact CA-OD2 3.47Å; W601-L605 HydrophobicContact CE3-CD1 3.81Å; W601-L605 HydrophobicContact CZ3-CD1 4.04Å; W601-L605 WeakPolarHBondContact O-CB 3.49Å; W601-L605 VanDerWaalsContact O-CG 3.3Å; W601-L605 WeakPolarHBondContact O-CG 3.08Å; W601-L605 PolarHBondContact O-N 3.13Å; W601-I669 HydrophobicContact CH2-CG1 4.09Å; W601-V673 HydrophobicContact CH2-CG2 3.95Å; W601-V673 HydrophobicContact CZ2-CG2 3.85Å
602	F	93.9	Very high	85.3	Confident	15 Å²	15	65.6 Å²	65.6	7%	0.066	34%	0.34	C	S	.	.	H	α-helix	trans	-75.4	-42.9	178.7	-175.4	-82.8	0	0	0	110.8	I596 E597 M599 K600 L606 I665 I669 Y707	I596-F602 HydrophobicContact CG2-CD2 4.08Å; I596-F602 WeakPolarHBondContact O-CB 3.26Å; E597-F602 HydrophobicContact CB-CD1 4.36Å; E597-F602 HydrophobicContact CB-CE1 4.15Å; E597-F602 HydrophobicContact CG-CE1 3.96Å; E597-F602 HydrophobicContact CG-CZ 3.95Å; M599-F602 WeakPolarHBondContact O-CB 3.45Å; M599-F602 PolarHBondContact O-N 3.02Å; K600-F602 PolarHBondContact O-N 3.45Å; F602-L606 HydrophobicContact CE1-CD2 4.27Å; F602-L606 WeakPolarHBondContact O-CB 3.11Å; F602-L606 PolarHBondContact O-N 3.34Å; F602-I665 HydrophobicContact CD2-CG2 4.11Å; F602-I665 HydrophobicContact CE2-CG2 3.48Å; F602-I665 VanDerWaalsContact CE2-CG2 3.48Å; F602-I665 HydrophobicContact CZ-CG2 4.14Å; F602-I669 HydrophobicContact CE2-CD1 4.15Å; F602-Y707 WeakPolarHBondContact CE2-OH 3.4Å
603	Q	93	Very high	84.3	Confident	82 Å²	82	59.7 Å²	59.7	38%	0.383	31%	0.314	S	S	.	.	H	α-helix	trans	-64.8	-45.6	174.7	-64.2	-65.3	-53.7	0	0	111	E597 M599 K600 L605 L606 D607	E597-Q603 PolarHBondContact O-NE2 3.28Å; M599-Q603 PolarHBondContact O-N 3.42Å; K600-Q603 PolarHBondContact O-N 3.08Å; Q603-L605 VanDerWaalsContact C-N 3.32Å; Q603-L605 PolarHBondContact O-N 2.64Å; Q603-L606 WeakPolarHBondContact O-CB 3.34Å; Q603-L606 PolarHBondContact O-N 3.17Å; Q603-D607 PolarHBondContact O-N 3.16Å
604	D	92.5	Very high	82.8	Confident	38 Å²	38	63 Å²	63	20%	0.203	33%	0.33	C	S	.	.	H	α-helix	trans	-56.7	-45	177.9	-53.8	-33	0	0	0	111.5	L544 L548 K600 W601 F608	L544-D604 HydrophobicContact CD2-CB 3.93Å; L544-D604 HydrophobicContact CG-CB 4.23Å; L548-D604 HydrophobicContact CD1-CB 4.05Å; L548-D604 WeakPolarHBondContact CD1-O 3.5Å; K600-D604 VanDerWaalsContact C-OD2 3.27Å; K600-D604 PolarHBondContact O-N 2.88Å; K600-D604 VanDerWaalsContact O-OD2 3.12Å; W601-D604 WeakPolarHBondContact CA-OD2 3.47Å; D604-F608 PolarHBondContact O-N 3.13Å; D604-F608 VanDerWaalsContact O-N 3.14Å
605	L	92.2	Very high	80.8	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-71.7	-33.7	175.4	-70.4	177.3	0	0	0	113.1	L544 L548 F575 I579 W601 Q603 D607 F608 C609 I664 I665	L544-L605 HydrophobicContact CD2-CG 4.47Å; L548-L605 HydrophobicContact CD1-CD2 4.25Å; L548-L605 HydrophobicContact CD2-CD2 4.01Å; F575-L605 HydrophobicContact CD2-CD2 3.64Å; F575-L605 HydrophobicContact CE2-CD2 3.75Å; I579-L605 HydrophobicContact CD1-CD1 4.2Å; W601-L605 HydrophobicContact CE3-CD1 3.81Å; W601-L605 HydrophobicContact CZ3-CD1 4.04Å; W601-L605 WeakPolarHBondContact O-CB 3.49Å; W601-L605 VanDerWaalsContact O-CG 3.3Å; W601-L605 WeakPolarHBondContact O-CG 3.08Å; W601-L605 PolarHBondContact O-N 3.13Å; Q603-L605 VanDerWaalsContact C-N 3.32Å; Q603-L605 PolarHBondContact O-N 2.64Å; L605-D607 VanDerWaalsContact C-N 3.35Å; L605-F608 PolarHBondContact O-N 3.06Å; L605-C609 WeakPolarHBondContact O-CB 3.37Å; L605-C609 PolarHBondContact O-N 2.93Å; L605-C609 PolarHBondContact O-SG 2.91Å; L605-I664 HydrophobicContact CD1-CG2 4.3Å; L605-I664 HydrophobicContact CD2-CG2 4.05Å; L605-I665 HydrophobicContact CB-CD1 4.18Å; L605-I665 HydrophobicContact CB-CG1 3.86Å; L605-I665 HydrophobicContact CD1-CG1 4.44Å
606	L	90.3	Very high	78.2	Confident	54 Å²	54	66.9 Å²	66.9	28%	0.283	36%	0.356	S	S	.	.	H	α-helix	trans	-64.6	-42.7	178	-177.8	63.1	0	0	0	110.6	F602 Q603 C609 N610 I665	F602-L606 HydrophobicContact CE1-CD2 4.27Å; F602-L606 WeakPolarHBondContact O-CB 3.11Å; F602-L606 PolarHBondContact O-N 3.34Å; Q603-L606 WeakPolarHBondContact O-CB 3.34Å; Q603-L606 PolarHBondContact O-N 3.17Å; L606-C609 PolarHBondContact O-N 2.74Å; L606-N610 WeakPolarHBondContact CD1-ND2 3.27Å; L606-N610 WeakPolarHBondContact CG-ND2 3.45Å; L606-N610 VanDerWaalsContact O-CB 3.31Å; L606-N610 WeakPolarHBondContact O-CB 3.28Å; L606-N610 PolarHBondContact O-N 2.81Å; L606-N610 PolarHBondContact O-ND2 2.94Å; L606-I665 HydrophobicContact CB-CD1 4.16Å; L606-I665 HydrophobicContact CD1-CD1 4.25Å
607	D	88	Confident	75.5	Confident	100 Å²	100	73.6 Å²	73.6	54%	0.535	39%	0.392	S	S	.	.	H	α-helix	trans	-65.3	-42.6	174.7	-72.7	-16.8	0	0	0	111.4	Q603 L605 C609 N610 L611	Q603-D607 PolarHBondContact O-N 3.16Å; L605-D607 VanDerWaalsContact C-N 3.35Å; D607-C609 VanDerWaalsContact C-N 3.34Å; D607-C609 PolarHBondContact O-N 3.38Å; D607-N610 PolarHBondContact O-N 2.75Å; D607-L611 WeakPolarHBondContact O-CG 3.37Å; D607-L611 PolarHBondContact O-N 3.36Å
608	F	86.9	Confident	73	Confident	2 Å²	2	77.3 Å²	77.3	1%	0.009	41%	0.407	C	S	.	.	H	α-helix	trans	-57.2	-42.9	173.9	177.1	-92.6	0	0	0	113.5	L548 F551 I552 R555 L571 D604 L605 I664	L548-F608 HydrophobicContact CB-CD2 3.97Å; L548-F608 HydrophobicContact CD1-CB 4.17Å; L548-F608 HydrophobicContact CD2-CB 4.02Å; L548-F608 HydrophobicContact CD2-CD1 4.29Å; L548-F608 HydrophobicContact CD2-CD2 3.53Å; L548-F608 HydrophobicContact CD2-CE2 4.02Å; L548-F608 HydrophobicContact CD2-CG 3.68Å; L548-F608 HydrophobicContact CG-CD2 4.26Å; F551-F608 HydrophobicContact CB-CE2 3.8Å; F551-F608 HydrophobicContact CB-CZ 4.19Å; I552-F608 HydrophobicContact CD1-CD2 3.91Å; I552-F608 HydrophobicContact CG1-CD2 3.6Å; I552-F608 HydrophobicContact CG1-CE2 3.74Å; R555-F608 PolarHBondContact NH1-O 3.44Å; R555-F608 VanDerWaalsContact NH1-O 3.12Å; R555-F608 PolarHBondContact NH2-O 3.35Å; L571-F608 HydrophobicContact CD1-CE1 3.97Å; L571-F608 HydrophobicContact CD1-CZ 3.92Å; D604-F608 PolarHBondContact O-N 3.13Å; D604-F608 VanDerWaalsContact O-N 3.14Å; L605-F608 PolarHBondContact O-N 3.06Å; F608-I664 HydrophobicContact CD1-CD1 4.05Å; F608-I664 HydrophobicContact CE1-CD1 3.6Å
609	C	84.4	Confident	70.2	Confident	6 Å²	6	79 Å²	79	4%	0.041	42%	0.42	C	S	.	.	H	α-helix	trans	-74.1	-27.5	179.5	-69.9	0	0	0	0	113.5	L605 L606 D607 D661 L662	L605-C609 WeakPolarHBondContact O-CB 3.37Å; L605-C609 PolarHBondContact O-N 2.93Å; L605-C609 PolarHBondContact O-SG 2.91Å; L606-C609 PolarHBondContact O-N 2.74Å; D607-C609 VanDerWaalsContact C-N 3.34Å; D607-C609 PolarHBondContact O-N 3.38Å; C609-D661 PolarHBondContact SG-O 3.41Å; C609-L662 HydrophobicContact CB-CD2 4.43Å
610	N	75.7	Confident	67.7	Low	101 Å²	101	84.1 Å²	84.1	54%	0.54	45%	0.452	S	S	.	.	H	α-helix	trans	-91.2	-8.3	-176.3	-74.7	-33.7	0	0	0	114.6	L606 D607 P612	L606-N610 WeakPolarHBondContact CD1-ND2 3.27Å; L606-N610 WeakPolarHBondContact CG-ND2 3.45Å; L606-N610 VanDerWaalsContact O-CB 3.31Å; L606-N610 WeakPolarHBondContact O-CB 3.28Å; L606-N610 PolarHBondContact O-N 2.81Å; L606-N610 PolarHBondContact O-ND2 2.94Å; D607-N610 PolarHBondContact O-N 2.75Å; N610-P612 WeakPolarHBondContact O-CD 3.3Å
611	L	64.6	Low	64.9	Low	74 Å²	74	86.3 Å²	86.3	39%	0.387	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-65	119.1	178.3	-85.6	159.2	0	0	0	111.6	I552 D607	I552-L611 HydrophobicContact CD1-CD1 3.38Å; I552-L611 HydrophobicContact CG1-CD1 3.91Å; I552-L611 HydrophobicContact CG2-CD1 4.45Å; D607-L611 WeakPolarHBondContact O-CG 3.37Å; D607-L611 PolarHBondContact O-N 3.36Å
612	P	56.5	Low	62.3	Low	104 Å²	104	91.8 Å²	91.8	68%	0.675	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-68.7	135.1	175.1	28.4	-33.4	0	0	0	110.2	N610 V614	N610-P612 WeakPolarHBondContact O-CD 3.3Å; P612-V614 PolarHBondContact O-N 3.17Å
613	L	53.9	Low	59.6	Low	49 Å²	49	97 Å²	97	26%	0.257	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-56.5	129.6	167.5	-91.3	84.4	0	0	0	109.3	P559 D615 N657 L658	P559-L613 HydrophobicContact CB-CD2 4.14Å; L613-D615 PolarHBondContact O-N 2.71Å; L613-N657 VanDerWaalsContact CD2-ND2 3.25Å; L613-N657 WeakPolarHBondContact CD2-ND2 3.35Å; L613-L658 HydrophobicContact CD1-CD1 3.97Å
614	V	48	Very low	56.8	Low	104 Å²	104	98.6 Å²	98.6	63%	0.63	55%	0.551	S	S	*	*			trans	-75.4	100.6	178.5	-179.6	0	0	0	0	109.1	P612 S616	P612-V614 PolarHBondContact O-N 3.17Å; V614-S616 PolarHBondContact O-N 3.07Å; V614-S616 PolarHBondContact O-OG 3.45Å
615	D	41.6	Very low	54.2	Low	131 Å²	131	105.3 Å²	105.3	70%	0.701	59%	0.586	S	S	*	*			trans	-54.6	96.9	167.6	-83.7	-26.7	0	0	0	110	L613 N617	L613-D615 PolarHBondContact O-N 2.71Å; D615-N617 PolarHBondContact O-N 3.25Å
616	S	33.8	Very low	51.5	Low	111 Å²	111	112.2 Å²	112.2	78%	0.776	62%	0.622	S	S	*	*	S	Bend	trans	-75	60.3	178.6	-69.5	0	0	0	0	111.5	V614	V614-S616 PolarHBondContact O-N 3.07Å; V614-S616 PolarHBondContact O-OG 3.45Å
617	N	34	Very low	49.1	Very low	157 Å²	157	113.7 Å²	113.7	84%	0.84	64%	0.637	S	S	*	*			trans	-154	29.1	179.1	-118.7	-22.8	0	0	0	115.3	D615	D615-N617 PolarHBondContact O-N 3.25Å
618	K	34.7	Very low	46.5	Very low	185 Å²	185	116.3 Å²	116.3	80%	0.804	65%	0.651	S	S	*	*			trans	-125.3	69.7	172.3	-73.6	178	-176.9	158.5	0	112.1
619	N	32.6	Very low	44.4	Very low	163 Å²	163	126 Å²	126	87%	0.872	69%	0.693	S	S	*	*			trans	-134	58	174.5	-129.6	-8.2	0	0	0	113
620	T	37.7	Very low	42.1	Very low	130 Å²	130	131.2 Å²	131.2	80%	0.798	73%	0.726	S	S	*	*			trans	-128.8	113.7	159.4	49.3	0	0	0	0	110.3	S622	T620-S622 PolarHBondContact O-N 3.37Å
621	K	35	Very low	40.4	Very low	207 Å²	207	131.5 Å²	131.5	90%	0.9	73%	0.727	S	S	*	*			trans	-63.6	122.4	171.1	-70.5	171.4	176.6	170.6	0	109.2
622	S	38.5	Very low	39.4	Very low	114 Å²	114	136.4 Å²	136.4	80%	0.797	75%	0.745	S	S	*	*			trans	-120.3	95.5	166.7	46.4	0	0	0	0	110.8	T620	T620-S622 PolarHBondContact O-N 3.37Å
623	T	38.5	Very low	38.7	Very low	126 Å²	126	135.4 Å²	135.4	77%	0.773	74%	0.74	S	S	*	*			trans	-64.2	136.7	168.6	-49.9	0	0	0	0	109.6
624	P	34.1	Very low	38.1	Very low	115 Å²	115	142 Å²	142	75%	0.747	77%	0.767	S	S	*	*			trans	-82.9	128.5	-173.6	31.7	-33.8	0	0	0	111.7
625	L	36.8	Very low	37.6	Very low	179 Å²	179	143.8 Å²	143.8	94%	0.937	77%	0.773	S	S	*	*			trans	-151.7	142.2	161.9	-110.3	145.4	0	0	0	113.1
626	N	36.5	Very low	37.6	Very low	144 Å²	144	144.9 Å²	144.9	77%	0.77	78%	0.779	S	S	*	*			trans	-91.3	164.7	-149	-157.7	-4.8	0	0	0	114.4
627	S	39.1	Very low	37.8	Very low	85 Å²	85	146.3 Å²	146.3	59%	0.594	78%	0.778	S	S	*	*			trans	77.9	105.2	146.8	66.5	0	0	0	0	122.6
628	N	34.7	Very low	38.2	Very low	155 Å²	155	146.8 Å²	146.8	83%	0.829	78%	0.781	S	S	*	*				56.9	109.8	119.9	-55.8	-17.4	0	0	0	121.4
629	K	40.8	Very low	38.3	Very low	205 Å²	205	146 Å²	146	89%	0.891	78%	0.779	S	S	*	*				-163.9	142.5	104.2	-116	173.7	-179.7	174.6	0	115.4
630	T	37.4	Very low	38.6	Very low	117 Å²	117	146 Å²	146	72%	0.718	78%	0.78	S	S	*	*			trans	-57.3	165.8	163.1	51	0	0	0	0	111.8
631	D	40.5	Very low	38.9	Very low	106 Å²	106	148.1 Å²	148.1	57%	0.567	78%	0.778	S	S	*	*			cis	-176.8	149	45.4	-146.9	-4.1	0	0	0	112.3
632	K	42.8	Very low	39	Very low	178 Å²	178	146.2 Å²	146.2	77%	0.774	78%	0.777	S	S	*	*			trans	61.9	152.8	149.3	-78.1	158.7	-163.3	146.4	0	120.1
633	S	42	Very low	38.8	Very low	82 Å²	82	144.3 Å²	144.3	57%	0.573	78%	0.776	S	S	*	*			cis	-173.5	152.3	6	130.5	0	0	0	0	113.4
634	K	42	Very low	38.6	Very low	189 Å²	189	144 Å²	144	82%	0.822	78%	0.778	S	S	*	*			trans	73.6	120.6	159.8	-69.1	158.9	-166	176.1	0	118
635	N	36.7	Very low	38.7	Very low	140 Å²	140	146 Å²	146	75%	0.749	78%	0.783	S	S	*	*				74.5	112.6	62.9	-89.4	23.5	0	0	0	115.1
636	N	41.8	Very low	38.8	Very low	154 Å²	154	146 Å²	146	82%	0.824	78%	0.778	S	S	*	*				-166.3	141.3	99.3	-95.7	-11.6	0	0	0	112.3
637	N	37.2	Very low	38.8	Very low	141 Å²	141	146 Å²	146	75%	0.754	78%	0.778	S	S	*	*			trans	-81.5	157.9	176.5	-65.5	-13.6	0	0	0	111.3
638	N	42.9	Very low	38.5	Very low	168 Å²	168	148.6 Å²	148.6	90%	0.898	79%	0.79	S	S	*	*			trans	-145.6	119.1	139	-115	-10	0	0	0	109.2
639	E	35.7	Very low	38.4	Very low	167 Å²	167	147 Å²	147	78%	0.78	78%	0.782	S	S	*	*			trans	-80.5	145.3	177.1	-58.1	174.8	138.3	0	0	110
640	N	40.4	Very low	38.1	Very low	164 Å²	164	143.4 Å²	143.4	88%	0.877	77%	0.773	S	S	*	*			trans	-153.4	140.8	135.3	-116	-30.3	0	0	0	113.2
641	K	42.7	Very low	37.9	Very low	175 Å²	175	147.3 Å²	147.3	76%	0.761	78%	0.78	S	S	*	*			trans	-74.7	145.3	-168.9	-61.6	156.9	176.7	169.9	0	112.3
642	N	38.4	Very low	37.8	Very low	166 Å²	166	149.1 Å²	149.1	89%	0.888	79%	0.789	S	S	*	*				171.9	148.1	112.9	-85.4	-19.9	0	0	0	112.1
643	G	34.7	Very low	37.8	Very low	74 Å²	74	149.3 Å²	149.3	76%	0.763	79%	0.79	S	S	*	*			trans	101.6	82.6	166.6	0	0	0	0	0	115.5	N645	G643-N645 PolarHBondContact O-N 2.9Å; G643-N645 VanDerWaalsContact O-N 3.11Å
644	S	32.8	Very low	37.7	Very low	119 Å²	119	150.7 Å²	150.7	83%	0.832	80%	0.796	S	S	*	*			trans	-74.7	95	175.9	174	0	0	0	0	112.2
645	N	36.3	Very low	37.6	Very low	157 Å²	157	145.8 Å²	145.8	84%	0.84	79%	0.785	S	S	*	*			trans	-125	102.5	163	-89.9	-15.3	0	0	0	109	G643	G643-N645 PolarHBondContact O-N 2.9Å; G643-N645 VanDerWaalsContact O-N 3.11Å
646	H	39.9	Very low	38.1	Very low	179 Å²	179	141 Å²	141	83%	0.829	77%	0.768	S	S	*	*			trans	-123.5	108.1	168.6	-98.9	-65.2	0	0	0	111.2	T648	H646-T648 PolarHBondContact O-N 3.43Å
647	N	35.3	Very low	38.6	Very low	145 Å²	145	135.3 Å²	135.3	78%	0.775	74%	0.738	S	S	*	*			trans	-53.5	114.4	167.4	-75.9	-37.9	0	0	0	110.9	N649	N647-N649 PolarHBondContact O-N 2.92Å
648	T	32.7	Very low	39.5	Very low	139 Å²	139	132.5 Å²	132.5	85%	0.853	72%	0.723	S	S	*	*			trans	-90	75.8	160.7	52.6	0	0	0	0	108.9	H646	H646-T648 PolarHBondContact O-N 3.43Å
649	N	33	Very low	40.4	Very low	121 Å²	121	128.1 Å²	128.1	65%	0.647	70%	0.699	S	S	*	*			trans	-118.7	145.7	177.6	-80.9	-32.1	0	0	0	111.1	N647	N647-N649 PolarHBondContact O-N 2.92Å
650	N	35.3	Very low	42.2	Very low	131 Å²	131	122.5 Å²	122.5	70%	0.701	68%	0.675	S	S	*	*	S	Bend	trans	81.7	46.5	162.7	-54.5	-15.1	0	0	0	119.5
651	F	32.1	Very low	44	Very low	198 Å²	198	115 Å²	115	87%	0.868	64%	0.635	S	S	*	*	S	Bend	trans	-130.9	-4.8	160.4	-124.1	-90.2	0	0	0	117.1
652	D	38.6	Very low	45.8	Very low	144 Å²	144	110.5 Å²	110.5	77%	0.77	62%	0.618	S	S	*	*	S	Bend	trans	-104.6	-2.7	-177.2	-88.2	-39.9	0	0	0	115.8	T654	D652-T654 PolarHBondContact O-N 2.99Å
653	K	42.3	Very low	48	Very low	182 Å²	182	107.5 Å²	107.5	79%	0.791	59%	0.594	S	S	*	*	S	Bend	trans	-76	-15.4	-174.5	-84.8	-172.6	173.4	-176.6	0	115.3
654	T	41.7	Very low	50.6	Low	112 Å²	112	104 Å²	104	69%	0.687	56%	0.558	S	S	*	*	S	Bend	trans	-76.9	-30	-179.4	47.5	0	0	0	0	113	D652 G656 N657	D652-T654 PolarHBondContact O-N 2.99Å; T654-G656 VanDerWaalsContact C-N 3.3Å; T654-G656 PolarHBondContact O-N 3.2Å; T654-N657 VanDerWaalsContact O-CB 3.28Å; T654-N657 WeakPolarHBondContact O-CB 3.33Å; T654-N657 PolarHBondContact O-N 3.06Å
655	S	38.5	Very low	53.4	Low	86 Å²	86	98.9 Å²	98.9	60%	0.601	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-29.1	-177.7	-56.8	0	0	0	0	113.8	N657	S655-N657 PolarHBondContact O-N 3.44Å
656	G	47.9	Very low	56	Low	38 Å²	38	92.5 Å²	92.5	39%	0.392	49%	0.488	S	S	.	.	H	α-helix	trans	-72.6	-11.1	177.1	0	0	0	0	0	114.6	T654	T654-G656 VanDerWaalsContact C-N 3.3Å; T654-G656 PolarHBondContact O-N 3.2Å
657	N	51.1	Low	58.4	Low	36 Å²	36	85.7 Å²	85.7	19%	0.193	46%	0.456	C	S	.	.	H	α-helix	trans	-77.9	-32.4	-175	-157.7	-10.8	0	0	0	112.5	L613 T654 S655	L613-N657 VanDerWaalsContact CD2-ND2 3.25Å; L613-N657 WeakPolarHBondContact CD2-ND2 3.35Å; T654-N657 VanDerWaalsContact O-CB 3.28Å; T654-N657 WeakPolarHBondContact O-CB 3.33Å; T654-N657 PolarHBondContact O-N 3.06Å; S655-N657 PolarHBondContact O-N 3.44Å
658	L	56.1	Low	61.2	Low	82 Å²	82	78.8 Å²	78.8	43%	0.429	42%	0.419	S	S	.	.	H	α-helix	trans	-87.5	-31.4	179.6	-107.9	70.1	0	0	0	114.1	L613 D660 D661 L662	L613-L658 HydrophobicContact CD1-CD1 3.97Å; L658-D660 PolarHBondContact O-N 2.97Å; L658-D661 PolarHBondContact O-N 2.87Å; L658-L662 HydrophobicContact CB-CD1 4.17Å; L658-L662 WeakPolarHBondContact O-CB 3.32Å; L658-L662 VanDerWaalsContact O-CG 3.26Å; L658-L662 WeakPolarHBondContact O-CG 3.29Å; L658-L662 PolarHBondContact O-N 3.32Å
659	D	62.9	Low	64.1	Low	75 Å²	75	72.1 Å²	72.1	40%	0.401	38%	0.379	S	S	.	.	H	α-helix	trans	-66	-33.9	-168.2	-172.6	22.7	0	0	0	113.1	R663	D659-R663 VanDerWaalsContact O-CD 3.23Å; D659-R663 WeakPolarHBondContact O-CD 3.34Å; D659-R663 WeakPolarHBondContact O-CG 3.44Å; D659-R663 PolarHBondContact O-N 2.71Å; D659-R663 PolarHBondContact O-NE 2.91Å; D659-R663 IonicContact OD1-CZ 3.42Å; D659-R663 IonicContact OD1-NE 2.68Å; D659-R663 PolarHBondContact OD1-NE 3.43Å; D659-R663 VanDerWaalsContact OD1-NE 3.14Å; D659-R663 IonicContact OD1-NH2 3.65Å; D659-R663 IonicContact OD2-CZ 3.6Å; D659-R663 VanDerWaalsContact OD2-CZ 3.31Å; D659-R663 IonicContact OD2-NE 3.6Å; D659-R663 IonicContact OD2-NH2 2.87Å; D659-R663 PolarHBondContact OD2-NH2 2.78Å
660	D	74	Confident	66.9	Low	50 Å²	50	68.2 Å²	68.2	27%	0.267	36%	0.356	S	S	.	.	H	α-helix	trans	-74.9	-32.3	177.7	-82.7	-33.2	0	0	0	114	L658 R663	L658-D660 PolarHBondContact O-N 2.97Å; D660-R663 PolarHBondContact O-N 2.79Å; D660-R663 IonicContact OD1-CZ 3.53Å; D660-R663 IonicContact OD1-NE 2.71Å; D660-R663 IonicContact OD1-NH1 3.48Å; D660-R663 PolarHBondContact OD1-NH1 3.41Å
661	D	77.3	Confident	69.5	Low	7 Å²	7	66 Å²	66	4%	0.037	34%	0.341	C	S	.	.	H	α-helix	trans	-72.2	-40.4	172.2	-84.1	-1.7	0	0	0	111.5	R555 S568 C609 L658 R663 I664	R555-D661 WeakPolarHBondContact CD-OD2 3.45Å; R555-D661 IonicContact CZ-OD2 3.92Å; R555-D661 IonicContact NE-OD2 2.7Å; R555-D661 IonicContact NH1-OD2 3.71Å; R555-D661 PolarHBondContact NH1-OD2 3.18Å; S568-D661 WeakPolarHBondContact CB-OD1 3.46Å; S568-D661 PolarHBondContact OG-OD1 3.05Å; C609-D661 PolarHBondContact SG-O 3.41Å; L658-D661 PolarHBondContact O-N 2.87Å; D661-R663 PolarHBondContact O-N 2.91Å; D661-R663 VanDerWaalsContact O-N 3.09Å; D661-I664 HydrophobicContact CB-CD1 4.16Å; D661-I664 VanDerWaalsContact O-CB 3.27Å; D661-I664 WeakPolarHBondContact O-CB 3.18Å; D661-I664 WeakPolarHBondContact O-CD1 3.42Å; D661-I664 WeakPolarHBondContact O-CG1 3.24Å; D661-I664 PolarHBondContact O-N 3.1Å
662	L	79.8	Confident	72.4	Confident	80 Å²	80	57.1 Å²	57.1	42%	0.419	30%	0.302	S	S	.	.	H	α-helix	trans	-60.4	-21.6	175.7	-72.5	168.9	0	0	0	113	C609 L658 I664 P666	C609-L662 HydrophobicContact CB-CD2 4.43Å; L658-L662 HydrophobicContact CB-CD1 4.17Å; L658-L662 WeakPolarHBondContact O-CB 3.32Å; L658-L662 VanDerWaalsContact O-CG 3.26Å; L658-L662 WeakPolarHBondContact O-CG 3.29Å; L658-L662 PolarHBondContact O-N 3.32Å; L662-I664 VanDerWaalsContact C-N 3.33Å; L662-P666 VanDerWaalsContact O-CD 3.29Å; L662-P666 WeakPolarHBondContact O-CD 3.5Å
663	R	85.2	Confident	75.1	Confident	102 Å²	102	50.3 Å²	50.3	39%	0.385	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-6.8	175.1	-66.4	160.4	-170.5	-169.6	-10.1	113.8	D659 D660 D661 K667	D659-R663 VanDerWaalsContact O-CD 3.23Å; D659-R663 WeakPolarHBondContact O-CD 3.34Å; D659-R663 WeakPolarHBondContact O-CG 3.44Å; D659-R663 PolarHBondContact O-N 2.71Å; D659-R663 PolarHBondContact O-NE 2.91Å; D659-R663 IonicContact OD1-CZ 3.42Å; D659-R663 IonicContact OD1-NE 2.68Å; D659-R663 PolarHBondContact OD1-NE 3.43Å; D659-R663 VanDerWaalsContact OD1-NE 3.14Å; D659-R663 IonicContact OD1-NH2 3.65Å; D659-R663 IonicContact OD2-CZ 3.6Å; D659-R663 VanDerWaalsContact OD2-CZ 3.31Å; D659-R663 IonicContact OD2-NE 3.6Å; D659-R663 IonicContact OD2-NH2 2.87Å; D659-R663 PolarHBondContact OD2-NH2 2.78Å; D660-R663 PolarHBondContact O-N 2.79Å; D660-R663 IonicContact OD1-CZ 3.53Å; D660-R663 IonicContact OD1-NE 2.71Å; D660-R663 IonicContact OD1-NH1 3.48Å; D660-R663 PolarHBondContact OD1-NH1 3.41Å; D661-R663 PolarHBondContact O-N 2.91Å; D661-R663 VanDerWaalsContact O-N 3.09Å; R663-K667 HydrophobicContact CB-CD 4.21Å; R663-K667 VanDerWaalsContact O-CB 3.26Å; R663-K667 WeakPolarHBondContact O-CB 3.31Å; R663-K667 WeakPolarHBondContact O-CD 3.38Å; R663-K667 WeakPolarHBondContact O-CG 3.16Å; R663-K667 PolarHBondContact O-N 3.4Å
664	I	89.8	Confident	77.5	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.3	-48.5	-178.6	-66.8	164.5	0	0	0	111.1	L571 P572 L605 F608 D661 L662 K667 S668	L571-I664 HydrophobicContact CB-CD1 4.3Å; L571-I664 HydrophobicContact CB-CG1 4.4Å; L571-I664 HydrophobicContact CD1-CD1 3.66Å; P572-I664 HydrophobicContact CG-CB 4.45Å; P572-I664 HydrophobicContact CG-CG2 4.2Å; L605-I664 HydrophobicContact CD1-CG2 4.3Å; L605-I664 HydrophobicContact CD2-CG2 4.05Å; F608-I664 HydrophobicContact CD1-CD1 4.05Å; F608-I664 HydrophobicContact CE1-CD1 3.6Å; D661-I664 HydrophobicContact CB-CD1 4.16Å; D661-I664 VanDerWaalsContact O-CB 3.27Å; D661-I664 WeakPolarHBondContact O-CB 3.18Å; D661-I664 WeakPolarHBondContact O-CD1 3.42Å; D661-I664 WeakPolarHBondContact O-CG1 3.24Å; D661-I664 PolarHBondContact O-N 3.1Å; L662-I664 VanDerWaalsContact C-N 3.33Å; I664-K667 PolarHBondContact O-N 3.47Å; I664-S668 VanDerWaalsContact O-CB 3.31Å; I664-S668 WeakPolarHBondContact O-CB 3.41Å; I664-S668 PolarHBondContact O-N 3.42Å; I664-S668 PolarHBondContact O-OG 3.19Å
665	I	91.5	Very high	80	Confident	13 Å²	13	39.1 Å²	39.1	7%	0.067	21%	0.209	C	C	.	.	H	α-helix	trans	-64.2	-53.7	179.2	-66.2	170.9	0	0	0	111.4	F602 L605 L606 K667 S668 I669 Y707	F602-I665 HydrophobicContact CD2-CG2 4.11Å; F602-I665 HydrophobicContact CE2-CG2 3.48Å; F602-I665 VanDerWaalsContact CE2-CG2 3.48Å; F602-I665 HydrophobicContact CZ-CG2 4.14Å; L605-I665 HydrophobicContact CB-CD1 4.18Å; L605-I665 HydrophobicContact CB-CG1 3.86Å; L605-I665 HydrophobicContact CD1-CG1 4.44Å; L606-I665 HydrophobicContact CB-CD1 4.16Å; L606-I665 HydrophobicContact CD1-CD1 4.25Å; I665-K667 VanDerWaalsContact C-N 3.31Å; I665-K667 PolarHBondContact O-N 2.68Å; I665-S668 PolarHBondContact O-N 3.15Å; I665-S668 VanDerWaalsContact O-N 3.1Å; I665-I669 HydrophobicContact CG2-CD1 3.82Å; I665-I669 WeakPolarHBondContact O-CG1 3.27Å; I665-I669 PolarHBondContact O-N 2.9Å; I665-Y707 HydrophobicContact CG2-CE1 4.05Å
666	P	91.4	Very high	82.7	Confident	22 Å²	22	35.3 Å²	35.3	14%	0.143	18%	0.181	C	C	.	.	H	α-helix	trans	-53.9	-40.9	175.1	-26.5	31.4	0	0	0	114.5	L662 E670 Y707 T709	L662-P666 VanDerWaalsContact O-CD 3.29Å; L662-P666 WeakPolarHBondContact O-CD 3.5Å; P666-E670 WeakPolarHBondContact O-CB 3.34Å; P666-E670 PolarHBondContact O-N 3.13Å; P666-Y707 HydrophobicContact CB-CD1 4.23Å; P666-Y707 HydrophobicContact CG-CD1 4.11Å; P666-T709 HydrophobicContact CB-CG2 3.64Å; P666-T709 PolarHBondContact O-OG1 2.88Å
667	K	90.2	Very high	85	Confident	36 Å²	36	33.6 Å²	33.6	16%	0.157	16%	0.163	C	C	.	.	H	α-helix	trans	-69.7	-37.8	176.7	-73.5	169	-177.7	164.9	0	112.3	P572 R663 I664 I665 E670 K671	P572-K667 HydrophobicContact CB-CB 3.94Å; P572-K667 HydrophobicContact CG-CB 3.7Å; P572-K667 HydrophobicContact CG-CD 4.05Å; R663-K667 HydrophobicContact CB-CD 4.21Å; R663-K667 VanDerWaalsContact O-CB 3.26Å; R663-K667 WeakPolarHBondContact O-CB 3.31Å; R663-K667 WeakPolarHBondContact O-CD 3.38Å; R663-K667 WeakPolarHBondContact O-CG 3.16Å; R663-K667 PolarHBondContact O-N 3.4Å; I664-K667 PolarHBondContact O-N 3.47Å; I665-K667 VanDerWaalsContact C-N 3.31Å; I665-K667 PolarHBondContact O-N 2.68Å; K667-E670 PolarHBondContact O-N 2.85Å; K667-K671 VanDerWaalsContact O-CB 3.3Å; K667-K671 WeakPolarHBondContact O-CB 3.31Å; K667-K671 WeakPolarHBondContact O-CG 3.38Å; K667-K671 PolarHBondContact O-N 2.92Å
668	S	92.7	Very high	87.2	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-66.5	-41	178.3	-59.7	0	0	0	0	111.1	I664 I665 I672	I664-S668 VanDerWaalsContact O-CB 3.31Å; I664-S668 WeakPolarHBondContact O-CB 3.41Å; I664-S668 PolarHBondContact O-N 3.42Å; I664-S668 PolarHBondContact O-OG 3.19Å; I665-S668 PolarHBondContact O-N 3.15Å; I665-S668 VanDerWaalsContact O-N 3.1Å; S668-I672 VanDerWaalsContact O-CB 3.25Å; S668-I672 WeakPolarHBondContact O-CB 3.43Å; S668-I672 PolarHBondContact O-N 2.87Å
669	I	93.6	Very high	89.1	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.148	C	C	.	.	I	π-helix	trans	-65.3	-46.7	175.3	-66.9	172	0	0	0	110.9	W601 F602 I665 V673 L674 L703 Y707 I710	W601-I669 HydrophobicContact CH2-CG1 4.09Å; F602-I669 HydrophobicContact CE2-CD1 4.15Å; I665-I669 HydrophobicContact CG2-CD1 3.82Å; I665-I669 WeakPolarHBondContact O-CG1 3.27Å; I665-I669 PolarHBondContact O-N 2.9Å; I669-V673 HydrophobicContact CB-CG2 4.5Å; I669-V673 HydrophobicContact CG1-CG2 4.26Å; I669-V673 HydrophobicContact CG2-CB 4.27Å; I669-V673 WeakPolarHBondContact O-CB 3.42Å; I669-V673 PolarHBondContact O-N 3.15Å; I669-V673 VanDerWaalsContact O-N 3.17Å; I669-L674 PolarHBondContact O-N 3.3Å; I669-L703 HydrophobicContact CG2-CD2 3.8Å; I669-Y707 HydrophobicContact CD1-CD1 4.06Å; I669-Y707 HydrophobicContact CD1-CD2 3.93Å; I669-Y707 HydrophobicContact CD1-CE1 3.55Å; I669-Y707 HydrophobicContact CD1-CE2 3.42Å; I669-Y707 VanDerWaalsContact CD1-CE2 3.42Å; I669-Y707 HydrophobicContact CD1-CG 4.23Å; I669-Y707 HydrophobicContact CG2-CD2 4.29Å; I669-I710 HydrophobicContact CG2-CD1 3.93Å
670	E	91.9	Very high	90.6	Very high	38 Å²	38	27.6 Å²	27.6	18%	0.178	13%	0.129	C	C	.	.	I	π-helix	trans	-62.9	-44.5	179	-167.1	-162.1	169.1	0	0	112.6	P666 K667 L674 S714 P716	P666-E670 WeakPolarHBondContact O-CB 3.34Å; P666-E670 PolarHBondContact O-N 3.13Å; K667-E670 PolarHBondContact O-N 2.85Å; E670-L674 HydrophobicContact CG-CD1 4.13Å; E670-L674 WeakPolarHBondContact O-CB 3.29Å; E670-S714 WeakPolarHBondContact OE1-CB 3.47Å; E670-S714 PolarHBondContact OE1-OG 3.36Å; E670-P716 WeakPolarHBondContact O-CB 3.34Å
671	K	90.1	Very high	91.7	Very high	86 Å²	86	25.2 Å²	25.2	37%	0.374	12%	0.117	S	C	.	.	I	π-helix	trans	-82.3	-35.3	-174.4	-69.2	-178.7	177.9	-176.2	0	113.8	Q573 K667	Q573-K671 HydrophobicContact CG-CD 4.34Å; K667-K671 VanDerWaalsContact O-CB 3.3Å; K667-K671 WeakPolarHBondContact O-CB 3.31Å; K667-K671 WeakPolarHBondContact O-CG 3.38Å; K667-K671 PolarHBondContact O-N 2.92Å
672	I	94	Very high	92.6	Very high	11 Å²	11	27.7 Å²	27.7	6%	0.056	14%	0.135	C	C	.	.	I	π-helix	trans	-109.1	-57.5	-170.3	-51	159.5	0	0	0	110.6	I579 R580 L583 S668 L674 Q675 R676	I579-I672 HydrophobicContact CB-CD1 4.06Å; I579-I672 HydrophobicContact CB-CG2 4.43Å; I579-I672 HydrophobicContact CD1-CD1 3.65Å; I579-I672 HydrophobicContact CG1-CD1 4.45Å; I579-I672 HydrophobicContact CG2-CB 4.39Å; I579-I672 HydrophobicContact CG2-CD1 4.09Å; I579-I672 HydrophobicContact CG2-CG2 3.86Å; R580-I672 HydrophobicContact CG-CG2 3.72Å; L583-I672 HydrophobicContact CD1-CG2 3.97Å; S668-I672 VanDerWaalsContact O-CB 3.25Å; S668-I672 WeakPolarHBondContact O-CB 3.43Å; S668-I672 PolarHBondContact O-N 2.87Å; I672-L674 PolarHBondContact O-N 3.37Å; I672-Q675 PolarHBondContact O-N 3.08Å; I672-R676 PolarHBondContact O-N 2.97Å
673	V	94.4	Very high	93.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.118	C	C	.	.	I	π-helix	trans	-67	-42.2	-173	-175	0	0	0	0	111.5	L583 W586 I596 W601 I669 Q675 R676 I677	L583-V673 HydrophobicContact CD1-CG2 4.18Å; W586-V673 HydrophobicContact CH2-CG1 4.01Å; W586-V673 HydrophobicContact CZ3-CG1 4Å; I596-V673 HydrophobicContact CD1-CG1 3.95Å; W601-V673 HydrophobicContact CH2-CG2 3.95Å; W601-V673 HydrophobicContact CZ2-CG2 3.85Å; I669-V673 HydrophobicContact CB-CG2 4.5Å; I669-V673 HydrophobicContact CG1-CG2 4.26Å; I669-V673 HydrophobicContact CG2-CB 4.27Å; I669-V673 WeakPolarHBondContact O-CB 3.42Å; I669-V673 PolarHBondContact O-N 3.15Å; I669-V673 VanDerWaalsContact O-N 3.17Å; V673-Q675 VanDerWaalsContact C-N 3.35Å; V673-Q675 PolarHBondContact O-N 3.4Å; V673-R676 WeakPolarHBondContact O-CB 3.24Å; V673-R676 PolarHBondContact O-N 2.79Å; V673-I677 HydrophobicContact CG1-CD1 3.86Å; V673-I677 HydrophobicContact CG1-CG1 4.41Å; V673-I677 WeakPolarHBondContact O-CD1 3.47Å; V673-I677 VanDerWaalsContact O-CG1 3.28Å; V673-I677 WeakPolarHBondContact O-CG1 3.32Å; V673-I677 PolarHBondContact O-N 3.32Å
674	L	94.2	Very high	93.7	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-62.9	-37.7	175.2	-68	-175.9	0	0	0	113.1	I669 E670 I672 I677 N678 L703 I710 P716 T717 L720	I669-L674 PolarHBondContact O-N 3.3Å; E670-L674 HydrophobicContact CG-CD1 4.13Å; E670-L674 WeakPolarHBondContact O-CB 3.29Å; I672-L674 PolarHBondContact O-N 3.37Å; L674-I677 HydrophobicContact CD2-CD1 4.31Å; L674-I677 PolarHBondContact O-N 2.81Å; L674-N678 WeakPolarHBondContact O-CB 3.46Å; L674-N678 PolarHBondContact O-N 2.97Å; L674-L703 HydrophobicContact CD2-CD1 4.31Å; L674-I710 HydrophobicContact CD1-CD1 4.48Å; L674-I710 HydrophobicContact CD1-CG1 4.25Å; L674-I710 HydrophobicContact CD1-CG2 4.16Å; L674-I710 HydrophobicContact CD2-CD1 4.3Å; L674-I710 HydrophobicContact CD2-CG2 4.49Å; L674-P716 HydrophobicContact CB-CB 4.4Å; L674-P716 HydrophobicContact CD1-CB 4.31Å; L674-T717 WeakPolarHBondContact CD1-OG1 3.39Å; L674-L720 HydrophobicContact CD2-CD2 3.91Å
675	Q	94.2	Very high	94	Very high	59 Å²	59	20 Å²	20	28%	0.276	10%	0.103	S	C	.	.	H	α-helix	trans	-64.9	-41.9	176.5	173.7	54.9	38	0	0	110.6	I672 V673 N678 E679	I672-Q675 PolarHBondContact O-N 3.08Å; V673-Q675 VanDerWaalsContact C-N 3.35Å; V673-Q675 PolarHBondContact O-N 3.4Å; Q675-N678 PolarHBondContact O-N 3.33Å; Q675-E679 PolarHBondContact NE2-OE1 2.91Å; Q675-E679 PolarHBondContact O-N 3.48Å; Q675-E679 VanDerWaalsContact O-N 3.13Å
676	R	95.3	Very high	94.1	Very high	6 Å²	6	19.7 Å²	19.7	2%	0.023	10%	0.102	C	C	.	.	H	α-helix	trans	-61.9	-45.5	173.3	-175	64.3	175.2	165.5	1.8	112.4	S423 L583 I584 I672 V673 N678 E679 L680	S423-R676 PolarHBondContact OG-NH1 3.38Å; S423-R676 PolarHBondContact OG-NH2 3.33Å; L583-R676 HydrophobicContact CB-CG 4.29Å; L583-R676 PolarHBondContact O-NE 3.47Å; L583-R676 VanDerWaalsContact O-NE 3.07Å; L583-R676 PolarHBondContact O-NH2 3.43Å; I584-R676 PolarHBondContact O-NH2 2.99Å; I672-R676 PolarHBondContact O-N 2.97Å; V673-R676 WeakPolarHBondContact O-CB 3.24Å; V673-R676 PolarHBondContact O-N 2.79Å; R676-N678 VanDerWaalsContact C-N 3.33Å; R676-N678 PolarHBondContact O-N 2.71Å; R676-E679 IonicContact NH1-OE2 2.6Å; R676-E679 PolarHBondContact O-N 2.83Å; R676-L680 HydrophobicContact CG-CD1 4.15Å; R676-L680 WeakPolarHBondContact O-CG 3.01Å; R676-L680 PolarHBondContact O-N 2.72Å
677	I	96	Very high	94.3	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.01	10%	0.095	C	C	.	.	H	α-helix	trans	-60.2	-43.2	175.4	-65.6	159.1	0	0	0	110.5	W586 V673 L674 E679 L680 V681 L696 L699 L703 L720	W586-I677 HydrophobicContact CH2-CD1 4.33Å; W586-I677 HydrophobicContact CH2-CG1 4.13Å; W586-I677 HydrophobicContact CZ3-CG1 4Å; V673-I677 HydrophobicContact CG1-CD1 3.86Å; V673-I677 HydrophobicContact CG1-CG1 4.41Å; V673-I677 WeakPolarHBondContact O-CD1 3.47Å; V673-I677 VanDerWaalsContact O-CG1 3.28Å; V673-I677 WeakPolarHBondContact O-CG1 3.32Å; V673-I677 PolarHBondContact O-N 3.32Å; L674-I677 HydrophobicContact CD2-CD1 4.31Å; L674-I677 PolarHBondContact O-N 2.81Å; I677-E679 VanDerWaalsContact C-N 3.31Å; I677-E679 PolarHBondContact O-N 3.37Å; I677-L680 PolarHBondContact O-N 3.01Å; I677-V681 HydrophobicContact CG2-CG2 4.14Å; I677-V681 WeakPolarHBondContact O-CB 3.48Å; I677-V681 VanDerWaalsContact O-CG2 3.3Å; I677-V681 WeakPolarHBondContact O-CG2 3.18Å; I677-V681 PolarHBondContact O-N 3.45Å; I677-L696 HydrophobicContact CG2-CD1 4.11Å; I677-L699 HydrophobicContact CD1-CD2 3.69Å; I677-L699 HydrophobicContact CG1-CD2 4.18Å; I677-L699 HydrophobicContact CG2-CD2 4.44Å; I677-L703 HydrophobicContact CD1-CD1 3.72Å; I677-L720 HydrophobicContact CG2-CD1 3.9Å; I677-L720 HydrophobicContact CG2-CD2 4.06Å
678	N	96.5	Very high	94.4	Very high	10 Å²	10	17.1 Å²	17.1	5%	0.053	9%	0.089	C	C	.	.	H	α-helix	trans	-61.4	-36.7	178.9	171.6	82.6	0	0	0	112.8	L674 Q675 R676 S682 K719 L720 S723	L674-N678 WeakPolarHBondContact O-CB 3.46Å; L674-N678 PolarHBondContact O-N 2.97Å; Q675-N678 PolarHBondContact O-N 3.33Å; R676-N678 VanDerWaalsContact C-N 3.33Å; R676-N678 PolarHBondContact O-N 2.71Å; N678-S682 WeakPolarHBondContact O-CB 3.23Å; N678-S682 PolarHBondContact O-N 3.3Å; N678-S682 VanDerWaalsContact O-N 3.14Å; N678-S682 PolarHBondContact O-OG 3.23Å; N678-K719 PolarHBondContact OD1-O 3.49Å; N678-L720 HydrophobicContact CB-CB 4.27Å; N678-L720 HydrophobicContact CB-CD1 3.94Å; N678-S723 WeakPolarHBondContact OD1-CB 3.43Å; N678-S723 PolarHBondContact OD1-OG 3.02Å
679	E	95.7	Very high	94.5	Very high	54 Å²	54	17.2 Å²	17.2	25%	0.252	9%	0.089	S	C	.	.	H	α-helix	trans	-66.7	-47.5	172.8	-71.5	166.6	-164.7	0	0	111.6	I424 Q675 R676 I677 V681 S682 A683	I424-E679 HydrophobicContact CD1-CB 3.89Å; I424-E679 HydrophobicContact CG1-CB 4.38Å; Q675-E679 PolarHBondContact NE2-OE1 2.91Å; Q675-E679 PolarHBondContact O-N 3.48Å; Q675-E679 VanDerWaalsContact O-N 3.13Å; R676-E679 IonicContact NH1-OE2 2.6Å; R676-E679 PolarHBondContact O-N 2.83Å; I677-E679 VanDerWaalsContact C-N 3.31Å; I677-E679 PolarHBondContact O-N 3.37Å; E679-V681 VanDerWaalsContact C-N 3.34Å; E679-V681 PolarHBondContact O-N 2.96Å; E679-S682 PolarHBondContact O-N 2.86Å; E679-S682 VanDerWaalsContact O-N 3.15Å; E679-A683 VanDerWaalsContact O-CB 3.26Å; E679-A683 WeakPolarHBondContact O-CB 3.2Å; E679-A683 PolarHBondContact O-N 3.43Å
680	L	95.9	Very high	94.3	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.01	10%	0.102	C	C	.	.	H	α-helix	trans	-62.8	-38.3	179.3	-69.2	167.7	0	0	0	112.8	I424 F427 N587 R676 I677 A683 S684 W685	I424-L680 HydrophobicContact CD1-CD2 3.61Å; I424-L680 HydrophobicContact CD1-CG 4Å; F427-L680 HydrophobicContact CD2-CD2 3.49Å; F427-L680 VanDerWaalsContact CD2-CD2 3.49Å; F427-L680 HydrophobicContact CE2-CD2 3.86Å; F427-L680 HydrophobicContact CG-CD2 4.37Å; N587-L680 HydrophobicContact CB-CD2 4.4Å; R676-L680 HydrophobicContact CG-CD1 4.15Å; R676-L680 WeakPolarHBondContact O-CG 3.01Å; R676-L680 PolarHBondContact O-N 2.72Å; I677-L680 PolarHBondContact O-N 3.01Å; L680-A683 PolarHBondContact O-N 3.31Å; L680-S684 PolarHBondContact O-N 3.2Å; L680-S684 PolarHBondContact O-OG 2.97Å; L680-W685 PolarHBondContact O-N 3.47Å
681	V	96.7	Very high	94.3	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.006	12%	0.118	C	C	.	.	H	α-helix	trans	-62	-44.8	172.3	164.8	0	0	0	0	111.3	I677 E679 W685 L696 L720 I724	I677-V681 HydrophobicContact CG2-CG2 4.14Å; I677-V681 WeakPolarHBondContact O-CB 3.48Å; I677-V681 VanDerWaalsContact O-CG2 3.3Å; I677-V681 WeakPolarHBondContact O-CG2 3.18Å; I677-V681 PolarHBondContact O-N 3.45Å; E679-V681 VanDerWaalsContact C-N 3.34Å; E679-V681 PolarHBondContact O-N 2.96Å; V681-W685 HydrophobicContact CG1-CE3 3.97Å; V681-L696 HydrophobicContact CG2-CD1 3.98Å; V681-L696 HydrophobicContact CG2-CD2 3.71Å; V681-L720 HydrophobicContact CB-CD1 4.45Å; V681-L720 HydrophobicContact CG2-CD1 4.08Å; V681-I724 HydrophobicContact CG1-CG1 3.8Å; V681-I724 HydrophobicContact CG2-CG1 4.46Å
682	S	95.4	Very high	94.5	Very high	59 Å²	59	20.3 Å²	20.3	41%	0.413	10%	0.103	S	C	.	.	H	α-helix	trans	-68.9	-35.1	-179.4	-58.7	0	0	0	0	112.4	N678 E679 R727	N678-S682 WeakPolarHBondContact O-CB 3.23Å; N678-S682 PolarHBondContact O-N 3.3Å; N678-S682 VanDerWaalsContact O-N 3.14Å; N678-S682 PolarHBondContact O-OG 3.23Å; E679-S682 PolarHBondContact O-N 2.86Å; E679-S682 VanDerWaalsContact O-N 3.15Å; S682-R727 PolarHBondContact O-NH1 2.95Å
683	A	94.6	Very high	94.5	Very high	9 Å²	9	19.9 Å²	19.9	7%	0.074	10%	0.101	C	C	.	.	H	α-helix	trans	-90.1	-43.5	-173.3	0	0	0	0	0	114.2	I424 R428 E679 L680	I424-A683 HydrophobicContact CG2-CB 3.59Å; R428-A683 HydrophobicContact CB-CB 4.2Å; E679-A683 VanDerWaalsContact O-CB 3.26Å; E679-A683 WeakPolarHBondContact O-CB 3.2Å; E679-A683 PolarHBondContact O-N 3.43Å; L680-A683 PolarHBondContact O-N 3.31Å
684	S	94	Very high	94.5	Very high	9 Å²	9	22.8 Å²	22.8	6%	0.063	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.9	-14.9	-160.1	70.1	0	0	0	0	116.1	L680	L680-S684 PolarHBondContact O-N 3.2Å; L680-S684 PolarHBondContact O-OG 2.97Å
685	W	96.1	Very high	94.4	Very high	1 Å²	1	25.1 Å²	25.1	0%	0.004	13%	0.127	C	C	.	.			trans	-74	132	179.6	-180	50.6	0	0	0	112.4	Y431 L589 L680 V681 P687 L696 I724 R727 I728 W774	Y431-W685 WeakPolarHBondContact CE2-O 3.38Å; L589-W685 HydrophobicContact CD1-CB 3.74Å; L589-W685 HydrophobicContact CD1-CG 4.43Å; L680-W685 PolarHBondContact O-N 3.47Å; V681-W685 HydrophobicContact CG1-CE3 3.97Å; W685-P687 HydrophobicContact CD2-CG 4.26Å; W685-P687 HydrophobicContact CE3-CG 4Å; W685-P687 HydrophobicContact CH2-CB 4.18Å; W685-P687 HydrophobicContact CH2-CG 3.85Å; W685-P687 HydrophobicContact CZ2-CB 4.15Å; W685-P687 HydrophobicContact CZ2-CG 4.07Å; W685-P687 HydrophobicContact CZ3-CG 3.81Å; W685-L696 HydrophobicContact CD2-CD2 3.72Å; W685-L696 HydrophobicContact CE3-CD2 4.18Å; W685-L696 HydrophobicContact CG-CD2 3.97Å; W685-L696 HydrophobicContact CZ2-CD2 4.23Å; W685-I724 HydrophobicContact CH2-CG2 3.97Å; W685-I724 HydrophobicContact CZ3-CB 4.35Å; W685-I724 HydrophobicContact CZ3-CG2 3.87Å; W685-R727 HydrophobicContact CE3-CB 4.13Å; W685-R727 HydrophobicContact CE3-CG 3.71Å; W685-R727 HydrophobicContact CZ3-CB 4.12Å; W685-R727 HydrophobicContact CZ3-CG 4.08Å; W685-R727 VanDerWaalsContact O-CZ 3.3Å; W685-R727 PolarHBondContact O-NE 3.27Å; W685-R727 PolarHBondContact O-NH2 3.15Å; W685-I728 HydrophobicContact CH2-CD1 3.99Å; W685-I728 HydrophobicContact CH2-CG1 3.65Å; W685-I728 HydrophobicContact CZ3-CG1 3.99Å; W685-W774 AromaticContact CH2-CZ2 3.69Å; W685-W774 HydrophobicContact CH2-CZ2 3.69Å; W685-W774 AromaticContact CH2-NE1 3.99Å; W685-W774 AromaticContact CZ2-CZ2 3.73Å; W685-W774 HydrophobicContact CZ2-CZ2 3.73Å; W685-W774 AromaticContact CZ2-NE1 3.99Å
686	D	94.1	Very high	94.5	Very high	7 Å²	7	22.3 Å²	22.3	4%	0.037	11%	0.114	C	C	.	.			trans	-111.1	107.1	174.1	175.1	36.2	0	0	0	111.2	Y431 R438 L688 S689	Y431-D686 HydrophobicContact CD2-CB 4.06Å; Y431-D686 HydrophobicContact CE2-CB 3.85Å; R438-D686 IonicContact CZ-OD1 3.68Å; R438-D686 IonicContact CZ-OD2 3.95Å; R438-D686 IonicContact NH1-OD1 2.75Å; R438-D686 PolarHBondContact NH1-OD1 3.07Å; R438-D686 IonicContact NH1-OD2 3.06Å; R438-D686 VanDerWaalsContact NH2-CG 3.33Å; R438-D686 IonicContact NH2-OD1 3.43Å; R438-D686 PolarHBondContact NH2-OD1 2.83Å; R438-D686 IonicContact NH2-OD2 3.58Å; R438-D686 PolarHBondContact NH2-OD2 2.97Å; D686-L688 PolarHBondContact O-N 3.27Å; D686-L688 VanDerWaalsContact O-N 3.13Å; D686-L688 WeakPolarHBondContact OD1-CB 3.45Å; D686-L688 PolarHBondContact OD1-N 3.22Å; D686-S689 WeakPolarHBondContact O-CB 3.44Å; D686-S689 PolarHBondContact O-N 3.28Å; D686-S689 PolarHBondContact OD2-N 3.18Å; D686-S689 VanDerWaalsContact OD2-N 3.15Å
687	P	94.9	Very high	94.5	Very high	2 Å²	2	22 Å²	22	1%	0.013	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-18.5	175.7	-25.5	36.1	0	0	0	114.4	W685 S689 R727 I728 T731 L767 N770	W685-P687 HydrophobicContact CD2-CG 4.26Å; W685-P687 HydrophobicContact CE3-CG 4Å; W685-P687 HydrophobicContact CH2-CB 4.18Å; W685-P687 HydrophobicContact CH2-CG 3.85Å; W685-P687 HydrophobicContact CZ2-CB 4.15Å; W685-P687 HydrophobicContact CZ2-CG 4.07Å; W685-P687 HydrophobicContact CZ3-CG 3.81Å; P687-S689 VanDerWaalsContact C-N 3.33Å; P687-R727 HydrophobicContact CG-CG 3.97Å; P687-I728 HydrophobicContact CB-CG1 4.28Å; P687-I728 HydrophobicContact CG-CG1 4.25Å; P687-T731 HydrophobicContact CB-CG2 4.33Å; P687-T731 WeakPolarHBondContact CD-OG1 3.41Å; P687-T731 WeakPolarHBondContact CG-OG1 3.3Å; P687-L767 HydrophobicContact CB-CD1 4.02Å; P687-L767 WeakPolarHBondContact O-CD1 3.44Å; P687-N770 WeakPolarHBondContact O-CB 3.37Å; P687-N770 PolarHBondContact O-ND2 3.15Å
688	L	93.2	Very high	94.4	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.016	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-11.9	172.3	-82	164.8	0	0	0	113.1	D686 T731 D735 I736 M763 K766 L767 N770	D686-L688 PolarHBondContact O-N 3.27Å; D686-L688 VanDerWaalsContact O-N 3.13Å; D686-L688 WeakPolarHBondContact OD1-CB 3.45Å; D686-L688 PolarHBondContact OD1-N 3.22Å; L688-T731 HydrophobicContact CD1-CG2 3.85Å; L688-T731 HydrophobicContact CG-CG2 3.92Å; L688-D735 HydrophobicContact CD1-CB 3.85Å; L688-I736 HydrophobicContact CD2-CD1 4.38Å; L688-M763 HydrophobicContact CD1-SD 4.42Å; L688-M763 HydrophobicContact CD2-CG 3.75Å; L688-K766 WeakPolarHBondContact O-CE 3.49Å; L688-K766 PolarHBondContact O-NZ 3.01Å; L688-L767 HydrophobicContact CD2-CB 3.84Å; L688-L767 HydrophobicContact CD2-CD1 4.24Å; L688-L767 HydrophobicContact CD2-CD2 4.49Å; L688-L767 HydrophobicContact CD2-CG 4.39Å; L688-L767 HydrophobicContact CG-CD1 4.27Å; L688-N770 PolarHBondContact O-ND2 3.4Å
689	S	92.8	Very high	94.2	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.007	14%	0.138	C	C	.	.			trans	-88.3	111.1	173.2	-168.2	0	0	0	0	111	D686 P687 K691 S693	D686-S689 WeakPolarHBondContact O-CB 3.44Å; D686-S689 PolarHBondContact O-N 3.28Å; D686-S689 PolarHBondContact OD2-N 3.18Å; D686-S689 VanDerWaalsContact OD2-N 3.15Å; P687-S689 VanDerWaalsContact C-N 3.33Å; S689-K691 VanDerWaalsContact C-N 3.29Å; S689-K691 PolarHBondContact O-N 3.32Å; S689-S693 VanDerWaalsContact O-CB 3.3Å; S689-S693 WeakPolarHBondContact O-CB 3.38Å; S689-S693 PolarHBondContact O-N 3.31Å; S689-S693 PolarHBondContact O-OG 3.3Å
690	E	91	Very high	94.1	Very high	57 Å²	57	24.1 Å²	24.1	27%	0.266	13%	0.126	S	C	.	.	H	α-helix	trans	-61.1	-38.5	177.7	-178.9	170.8	-165.8	0	0	111.5	S693 L694 K769 N770	E690-S693 PolarHBondContact O-N 3.18Å; E690-L694 HydrophobicContact CG-CD1 3.92Å; E690-L694 HydrophobicContact CG-CG 4.46Å; E690-L694 WeakPolarHBondContact O-CB 3.36Å; E690-L694 VanDerWaalsContact O-CG 3.27Å; E690-L694 WeakPolarHBondContact O-CG 3.17Å; E690-L694 PolarHBondContact O-N 3.38Å; E690-K769 WeakPolarHBondContact OE1-CE 3.17Å; E690-K769 IonicContact OE1-NZ 3.46Å; E690-K769 PolarHBondContact OE1-NZ 3Å; E690-K769 IonicContact OE2-NZ 2.71Å; E690-N770 PolarHBondContact N-ND2 3.1Å
691	K	91.1	Very high	93.9	Very high	119 Å²	119	28.3 Å²	28.3	52%	0.517	14%	0.141	S	C	.	.	H	α-helix	trans	-62.1	-53.2	178.4	-68.5	-178.7	177.4	179.8	0	112.1	S689 S693 L694 Q695	S689-K691 VanDerWaalsContact C-N 3.29Å; S689-K691 PolarHBondContact O-N 3.32Å; K691-S693 VanDerWaalsContact C-N 3.32Å; K691-S693 PolarHBondContact O-N 3.48Å; K691-L694 PolarHBondContact O-N 2.97Å; K691-Q695 WeakPolarHBondContact O-CG 3.34Å; K691-Q695 PolarHBondContact O-N 2.89Å
692	Q	93.8	Very high	93.6	Very high	14 Å²	14	33.2 Å²	33.2	7%	0.065	17%	0.167	C	C	.	.	H	α-helix	trans	-65.2	-38.6	179.7	-61.4	-174.9	0.4	0	0	111.5	L589 Q695 L696	L589-Q692 HydrophobicContact CB-CG 4.36Å; Q692-Q695 PolarHBondContact O-N 3Å; Q692-L696 WeakPolarHBondContact O-CB 3.39Å; Q692-L696 PolarHBondContact O-N 2.84Å
693	S	94.8	Very high	93.5	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.007	15%	0.149	C	C	.	.	H	α-helix	trans	-63.1	-43.6	176.7	-59	0	0	0	0	111.7	S689 E690 K691 V697	S689-S693 VanDerWaalsContact O-CB 3.3Å; S689-S693 WeakPolarHBondContact O-CB 3.38Å; S689-S693 PolarHBondContact O-N 3.31Å; S689-S693 PolarHBondContact O-OG 3.3Å; E690-S693 PolarHBondContact O-N 3.18Å; K691-S693 VanDerWaalsContact C-N 3.32Å; K691-S693 PolarHBondContact O-N 3.48Å; S693-V697 VanDerWaalsContact O-CB 3.24Å; S693-V697 WeakPolarHBondContact O-CB 3.48Å; S693-V697 WeakPolarHBondContact O-CG2 3.45Å; S693-V697 PolarHBondContact O-N 3.48Å
694	L	93.9	Very high	93.2	Very high	62 Å²	62	32.6 Å²	32.6	33%	0.325	16%	0.161	S	C	.	.	H	α-helix	trans	-63.6	-45.2	174.5	-75.9	167.1	0	0	0	112.2	E690 K691 V697 N698 L773	E690-L694 HydrophobicContact CG-CD1 3.92Å; E690-L694 HydrophobicContact CG-CG 4.46Å; E690-L694 WeakPolarHBondContact O-CB 3.36Å; E690-L694 VanDerWaalsContact O-CG 3.27Å; E690-L694 WeakPolarHBondContact O-CG 3.17Å; E690-L694 PolarHBondContact O-N 3.38Å; K691-L694 PolarHBondContact O-N 2.97Å; L694-V697 PolarHBondContact O-N 3.33Å; L694-N698 VanDerWaalsContact O-CB 3.29Å; L694-N698 WeakPolarHBondContact O-CB 3.33Å; L694-N698 PolarHBondContact O-N 3.42Å; L694-N698 PolarHBondContact O-ND2 3.4Å; L694-L773 HydrophobicContact CD2-CD1 3.73Å; L694-L773 HydrophobicContact CD2-CD2 3.75Å; L694-L773 HydrophobicContact CD2-CG 4.36Å; L694-L773 HydrophobicContact CG-CD1 3.8Å
695	Q	92.9	Very high	93	Very high	49 Å²	49	36.5 Å²	36.5	23%	0.229	19%	0.189	C	C	.	.	H	α-helix	trans	-61	-49.4	178.1	-77.5	167.9	-31.9	0	0	111.9	L589 K691 Q692 N698 L699	L589-Q695 PolarHBondContact O-OE1 2.9Å; K691-Q695 WeakPolarHBondContact O-CG 3.34Å; K691-Q695 PolarHBondContact O-N 2.89Å; Q692-Q695 PolarHBondContact O-N 3Å; Q695-N698 PolarHBondContact O-N 3.48Å; Q695-L699 WeakPolarHBondContact O-CB 3.21Å; Q695-L699 PolarHBondContact O-N 3.04Å
696	L	95.1	Very high	92.6	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-63.9	-43.3	179.1	-176.5	60.5	0	0	0	111.9	L589 I677 V681 W685 Q692 L699 M700 W774	L589-L696 HydrophobicContact CD2-CB 3.83Å; L589-L696 HydrophobicContact CD2-CD1 4.28Å; L589-L696 HydrophobicContact CD2-CD2 4.45Å; L589-L696 HydrophobicContact CD2-CG 4.4Å; I677-L696 HydrophobicContact CG2-CD1 4.11Å; V681-L696 HydrophobicContact CG2-CD1 3.98Å; V681-L696 HydrophobicContact CG2-CD2 3.71Å; W685-L696 HydrophobicContact CD2-CD2 3.72Å; W685-L696 HydrophobicContact CE3-CD2 4.18Å; W685-L696 HydrophobicContact CG-CD2 3.97Å; W685-L696 HydrophobicContact CZ2-CD2 4.23Å; Q692-L696 WeakPolarHBondContact O-CB 3.39Å; Q692-L696 PolarHBondContact O-N 2.84Å; L696-L699 HydrophobicContact CD1-CD2 4.4Å; L696-L699 PolarHBondContact O-N 2.9Å; L696-M700 HydrophobicContact CD1-CG 4.39Å; L696-M700 WeakPolarHBondContact O-CB 3.4Å; L696-M700 VanDerWaalsContact O-CG 3.31Å; L696-M700 WeakPolarHBondContact O-CG 3.4Å; L696-M700 PolarHBondContact O-N 2.88Å; L696-W774 HydrophobicContact CD2-CH2 3.8Å; L696-W774 HydrophobicContact CD2-CZ2 3.86Å; L696-W774 HydrophobicContact CG-CH2 3.84Å; L696-W774 HydrophobicContact CG-CZ2 4.18Å
697	V	95.3	Very high	92.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64.1	-41.1	177	165.1	0	0	0	0	111.5	S693 L694 M700 R701 L773 W774 L777	S693-V697 VanDerWaalsContact O-CB 3.24Å; S693-V697 WeakPolarHBondContact O-CB 3.48Å; S693-V697 WeakPolarHBondContact O-CG2 3.45Å; S693-V697 PolarHBondContact O-N 3.48Å; L694-V697 PolarHBondContact O-N 3.33Å; V697-M700 PolarHBondContact O-N 2.86Å; V697-R701 WeakPolarHBondContact O-CG 3.34Å; V697-R701 PolarHBondContact O-N 3.48Å; V697-L773 WeakPolarHBondContact CG1-O 3.4Å; V697-L773 HydrophobicContact CG2-CB 4.15Å; V697-W774 HydrophobicContact CG2-CD2 3.58Å; V697-W774 VanDerWaalsContact CG2-CE2 3.42Å; V697-W774 HydrophobicContact CG2-CE3 3.96Å; V697-W774 HydrophobicContact CG2-CG 4.04Å; V697-W774 HydrophobicContact CG2-CH2 4.06Å; V697-W774 HydrophobicContact CG2-CZ2 3.7Å; V697-W774 HydrophobicContact CG2-CZ3 4.18Å; V697-L777 HydrophobicContact CG1-CD1 4.04Å
698	N	93.5	Very high	91.6	Very high	79 Å²	79	46 Å²	46	42%	0.422	25%	0.247	S	C	.	.	H	α-helix	trans	-68.1	-42.7	177.6	-71.1	-10.8	0	0	0	111.5	L694 Q695 M700 R701 N702	L694-N698 VanDerWaalsContact O-CB 3.29Å; L694-N698 WeakPolarHBondContact O-CB 3.33Å; L694-N698 PolarHBondContact O-N 3.42Å; L694-N698 PolarHBondContact O-ND2 3.4Å; Q695-N698 PolarHBondContact O-N 3.48Å; N698-M700 PolarHBondContact O-N 3.37Å; N698-R701 PolarHBondContact O-N 2.85Å; N698-N702 WeakPolarHBondContact O-CB 3.32Å; N698-N702 PolarHBondContact O-N 2.87Å; N698-N702 PolarHBondContact O-OD1 3.24Å
699	L	92.9	Very high	91.1	Very high	30 Å²	30	47.5 Å²	47.5	16%	0.157	26%	0.256	C	S	.	.	H	α-helix	trans	-56.7	-48.7	172.3	-178.1	106.7	0	0	0	111	W586 P588 I596 I677 Q695 L696 R701 N702 L703	W586-L699 HydrophobicContact CH2-CD1 4.37Å; W586-L699 HydrophobicContact CZ2-CD1 4.25Å; P588-L699 HydrophobicContact CB-CD1 3.84Å; P588-L699 HydrophobicContact CB-CD2 4.46Å; P588-L699 HydrophobicContact CG-CD1 4.42Å; P588-L699 HydrophobicContact CG-CD2 4.27Å; I596-L699 HydrophobicContact CD1-CD1 4.31Å; I677-L699 HydrophobicContact CD1-CD2 3.69Å; I677-L699 HydrophobicContact CG1-CD2 4.18Å; I677-L699 HydrophobicContact CG2-CD2 4.44Å; Q695-L699 WeakPolarHBondContact O-CB 3.21Å; Q695-L699 PolarHBondContact O-N 3.04Å; L696-L699 HydrophobicContact CD1-CD2 4.4Å; L696-L699 PolarHBondContact O-N 2.9Å; L699-R701 PolarHBondContact O-N 3.06Å; L699-N702 PolarHBondContact O-N 2.73Å; L699-L703 HydrophobicContact CD2-CD1 3.9Å; L699-L703 HydrophobicContact CG-CD1 3.95Å; L699-L703 HydrophobicContact CG-CG 4.45Å; L699-L703 WeakPolarHBondContact O-CB 3.22Å; L699-L703 VanDerWaalsContact O-CG 3.29Å; L699-L703 WeakPolarHBondContact O-CG 3.49Å; L699-L703 PolarHBondContact O-N 3.1Å
700	M	93.3	Very high	90.7	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-65.5	-37.2	178.9	-70.1	-50.8	-57.2	0	0	112.9	L696 V697 N698 L703 C704 L720 F721 W774 L777	L696-M700 HydrophobicContact CD1-CG 4.39Å; L696-M700 WeakPolarHBondContact O-CB 3.4Å; L696-M700 VanDerWaalsContact O-CG 3.31Å; L696-M700 WeakPolarHBondContact O-CG 3.4Å; L696-M700 PolarHBondContact O-N 2.88Å; V697-M700 PolarHBondContact O-N 2.86Å; N698-M700 PolarHBondContact O-N 3.37Å; M700-L703 HydrophobicContact SD-CD1 4.23Å; M700-C704 WeakPolarHBondContact O-CB 3.44Å; M700-C704 PolarHBondContact O-N 3.46Å; M700-C704 PolarHBondContact O-SG 2.78Å; M700-C704 VanDerWaalsContact O-SG 3.38Å; M700-L720 HydrophobicContact CE-CD2 3.69Å; M700-L720 HydrophobicContact SD-CD2 3.69Å; M700-F721 HydrophobicContact CE-CE2 4Å; M700-F721 HydrophobicContact CE-CZ 3.79Å; M700-W774 HydrophobicContact CG-CZ3 4.45Å; M700-L777 HydrophobicContact CB-CD1 3.97Å
701	R	92.6	Very high	90.3	Very high	91 Å²	91	48.4 Å²	48.4	34%	0.343	27%	0.267	S	S	.	.	H	α-helix	trans	-60.7	-50.1	172.3	-78.9	179.6	179.9	127.9	10.9	111.5	V697 N698 L699 L703 C704 S705 L773 I775 L777	V697-R701 WeakPolarHBondContact O-CG 3.34Å; V697-R701 PolarHBondContact O-N 3.48Å; N698-R701 PolarHBondContact O-N 2.85Å; L699-R701 PolarHBondContact O-N 3.06Å; R701-L703 PolarHBondContact O-N 3.46Å; R701-C704 PolarHBondContact O-N 3.15Å; R701-S705 WeakPolarHBondContact O-CB 3.38Å; R701-S705 PolarHBondContact O-N 3.45Å; R701-S705 PolarHBondContact O-OG 3.31Å; R701-S705 VanDerWaalsContact O-OG 3.1Å; R701-L773 PolarHBondContact NH2-O 2.84Å; R701-I775 PolarHBondContact NH2-O 2.7Å; R701-I775 VanDerWaalsContact NH2-O 3.16Å; R701-L777 HydrophobicContact CG-CD1 4.15Å; R701-L777 HydrophobicContact CG-CD2 4.01Å; R701-L777 HydrophobicContact CG-CG 4.26Å
702	N	91.1	Very high	89.6	Confident	103 Å²	103	51 Å²	51	55%	0.551	29%	0.285	S	S	*	.	H	α-helix	trans	-61.9	-44.4	-179.8	-66.8	4.8	0	0	0	110.9	N698 L699 S705 T706	N698-N702 WeakPolarHBondContact O-CB 3.32Å; N698-N702 PolarHBondContact O-N 2.87Å; N698-N702 PolarHBondContact O-OD1 3.24Å; L699-N702 PolarHBondContact O-N 2.73Å; N702-S705 WeakPolarHBondContact CA-OG 3.42Å; N702-S705 PolarHBondContact O-N 2.91Å; N702-S705 PolarHBondContact O-OG 3.24Å; N702-T706 VanDerWaalsContact O-CB 3.28Å; N702-T706 WeakPolarHBondContact O-CB 3.49Å; N702-T706 PolarHBondContact O-N 2.85Å; N702-T706 PolarHBondContact O-OG1 3.32Å
703	L	91.6	Very high	88.9	Confident	6 Å²	6	52.9 Å²	52.9	3%	0.031	31%	0.309	C	S	.	.	H	α-helix	trans	-60.2	-49.9	176.6	-76.4	175.7	0	0	0	111.9	I596 I669 L674 I677 L699 M700 R701 S705 T706 Y707 I710	I596-L703 HydrophobicContact CD1-CD2 3.92Å; I669-L703 HydrophobicContact CG2-CD2 3.8Å; L674-L703 HydrophobicContact CD2-CD1 4.31Å; I677-L703 HydrophobicContact CD1-CD1 3.72Å; L699-L703 HydrophobicContact CD2-CD1 3.9Å; L699-L703 HydrophobicContact CG-CD1 3.95Å; L699-L703 HydrophobicContact CG-CG 4.45Å; L699-L703 WeakPolarHBondContact O-CB 3.22Å; L699-L703 VanDerWaalsContact O-CG 3.29Å; L699-L703 WeakPolarHBondContact O-CG 3.49Å; L699-L703 PolarHBondContact O-N 3.1Å; M700-L703 HydrophobicContact SD-CD1 4.23Å; R701-L703 PolarHBondContact O-N 3.46Å; L703-S705 VanDerWaalsContact C-N 3.32Å; L703-S705 PolarHBondContact O-N 2.91Å; L703-T706 PolarHBondContact O-N 2.74Å; L703-Y707 HydrophobicContact CD2-CD2 3.96Å; L703-Y707 HydrophobicContact CD2-CE2 4.04Å; L703-Y707 PolarHBondContact O-N 3.08Å; L703-I710 HydrophobicContact CB-CD1 3.77Å; L703-I710 HydrophobicContact CD2-CD1 4.18Å; L703-I710 HydrophobicContact CG-CD1 4.45Å
704	C	90	Very high	88.6	Confident	49 Å²	49	53.3 Å²	53.3	33%	0.331	31%	0.311	S	S	.	.	H	α-helix	trans	-68.9	-25	178.3	-70.2	0	0	0	0	113.9	M700 R701	M700-C704 WeakPolarHBondContact O-CB 3.44Å; M700-C704 PolarHBondContact O-N 3.46Å; M700-C704 PolarHBondContact O-SG 2.78Å; M700-C704 VanDerWaalsContact O-SG 3.38Å; R701-C704 PolarHBondContact O-N 3.15Å
705	S	88.7	Confident	88.4	Confident	92 Å²	92	60.3 Å²	60.3	64%	0.643	33%	0.333	S	S	*	.	H	α-helix	trans	-81.9	-31.7	174.9	61.4	0	0	0	0	113.5	R701 N702 L703	R701-S705 WeakPolarHBondContact O-CB 3.38Å; R701-S705 PolarHBondContact O-N 3.45Å; R701-S705 PolarHBondContact O-OG 3.31Å; R701-S705 VanDerWaalsContact O-OG 3.1Å; N702-S705 WeakPolarHBondContact CA-OG 3.42Å; N702-S705 PolarHBondContact O-N 2.91Å; N702-S705 PolarHBondContact O-OG 3.24Å; L703-S705 VanDerWaalsContact C-N 3.32Å; L703-S705 PolarHBondContact O-N 2.91Å
706	T	87.9	Confident	88.3	Confident	71 Å²	71	59.8 Å²	59.8	44%	0.436	33%	0.334	S	S	.	.	H	α-helix	trans	-90.8	-34.4	-174.3	-55.5	0	0	0	0	112.2	N702 L703	N702-T706 VanDerWaalsContact O-CB 3.28Å; N702-T706 WeakPolarHBondContact O-CB 3.49Å; N702-T706 PolarHBondContact O-N 2.85Å; N702-T706 PolarHBondContact O-OG1 3.32Å; L703-T706 PolarHBondContact O-N 2.74Å
707	Y	87.3	Confident	88.2	Confident	22 Å²	22	60 Å²	60	9%	0.086	34%	0.336	C	S	.	.			trans	-118.8	106.2	-172.7	-56.4	-69.8	0	0	0	112.1	F602 I665 P666 I669 L703 T709 I710	F602-Y707 WeakPolarHBondContact CE2-OH 3.4Å; I665-Y707 HydrophobicContact CG2-CE1 4.05Å; P666-Y707 HydrophobicContact CB-CD1 4.23Å; P666-Y707 HydrophobicContact CG-CD1 4.11Å; I669-Y707 HydrophobicContact CD1-CD1 4.06Å; I669-Y707 HydrophobicContact CD1-CD2 3.93Å; I669-Y707 HydrophobicContact CD1-CE1 3.55Å; I669-Y707 HydrophobicContact CD1-CE2 3.42Å; I669-Y707 VanDerWaalsContact CD1-CE2 3.42Å; I669-Y707 HydrophobicContact CD1-CG 4.23Å; I669-Y707 HydrophobicContact CG2-CD2 4.29Å; L703-Y707 HydrophobicContact CD2-CD2 3.96Å; L703-Y707 HydrophobicContact CD2-CE2 4.04Å; L703-Y707 PolarHBondContact O-N 3.08Å; Y707-T709 PolarHBondContact O-N 3.42Å; Y707-T709 VanDerWaalsContact O-N 3.11Å; Y707-I710 HydrophobicContact CD2-CD1 4.25Å; Y707-I710 HydrophobicContact CG-CD1 4.47Å; Y707-I710 PolarHBondContact O-N 2.89Å
708	P	81.6	Confident	88.1	Confident	115 Å²	115	64.8 Å²	64.8	75%	0.747	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-10.6	-178.7	28	-35.4	0	0	0	113.8	I710	P708-I710 PolarHBondContact O-N 3.33Å
709	T	81.4	Confident	88.1	Confident	35 Å²	35	65.7 Å²	65.7	22%	0.215	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-22.9	169.9	49.3	0	0	0	0	113	P666 Y707 C711	P666-T709 HydrophobicContact CB-CG2 3.64Å; P666-T709 PolarHBondContact O-OG1 2.88Å; Y707-T709 PolarHBondContact O-N 3.42Å; Y707-T709 VanDerWaalsContact O-N 3.11Å; T709-C711 PolarHBondContact O-N 2.7Å
710	I	85.4	Confident	88.2	Confident	11 Å²	11	64.2 Å²	64.2	6%	0.056	35%	0.351	C	S	.	.	S	Bend	trans	-88.3	65.5	-178.5	-49.9	180	0	0	0	108.9	I669 L674 L703 Y707 P708 T717	I669-I710 HydrophobicContact CG2-CD1 3.93Å; L674-I710 HydrophobicContact CD1-CD1 4.48Å; L674-I710 HydrophobicContact CD1-CG1 4.25Å; L674-I710 HydrophobicContact CD1-CG2 4.16Å; L674-I710 HydrophobicContact CD2-CD1 4.3Å; L674-I710 HydrophobicContact CD2-CG2 4.49Å; L703-I710 HydrophobicContact CB-CD1 3.77Å; L703-I710 HydrophobicContact CD2-CD1 4.18Å; L703-I710 HydrophobicContact CG-CD1 4.45Å; Y707-I710 HydrophobicContact CD2-CD1 4.25Å; Y707-I710 HydrophobicContact CG-CD1 4.47Å; Y707-I710 PolarHBondContact O-N 2.89Å; P708-I710 PolarHBondContact O-N 3.33Å; I710-T717 HydrophobicContact CG2-CG2 3.92Å
711	C	81.3	Confident	88.3	Confident	66 Å²	66	65.9 Å²	65.9	45%	0.446	36%	0.358	S	S	.	.			trans	-118.3	169.8	-172.4	66.8	0	0	0	0	112.9	T709 G713 S714	T709-C711 PolarHBondContact O-N 2.7Å; C711-G713 PolarHBondContact O-N 3.3Å; C711-S714 WeakPolarHBondContact O-CB 3.45Å; C711-S714 PolarHBondContact O-N 2.95Å
712	I	76.4	Confident	88.4	Confident	174 Å²	174	66 Å²	66	89%	0.892	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	128.4	175.7	-57.9	169.9	0	0	0	108.4
713	G	80.9	Confident	88.6	Confident	54 Å²	54	62.2 Å²	62.2	56%	0.557	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.2	-15.7	-171.5	0	0	0	0	0	114.6	C711 R715 E718	C711-G713 PolarHBondContact O-N 3.3Å; G713-R715 PolarHBondContact O-N 2.92Å; G713-E718 VanDerWaalsContact CA-OE1 3.31Å; G713-E718 WeakPolarHBondContact CA-OE1 3.23Å; G713-E718 PolarHBondContact N-OE1 3.35Å
714	S	87	Confident	88.9	Confident	9 Å²	9	61.9 Å²	61.9	6%	0.063	35%	0.349	C	S	.	.			trans	-71.9	112.7	170.5	166.1	0	0	0	0	110.1	E670 C711 P716 T717 E718	E670-S714 WeakPolarHBondContact OE1-CB 3.47Å; E670-S714 PolarHBondContact OE1-OG 3.36Å; C711-S714 WeakPolarHBondContact O-CB 3.45Å; C711-S714 PolarHBondContact O-N 2.95Å; S714-P716 WeakPolarHBondContact OG-CD 3.4Å; S714-T717 WeakPolarHBondContact CB-OG1 3.48Å; S714-T717 WeakPolarHBondContact O-CA 3.43Å; S714-T717 WeakPolarHBondContact O-CB 3.16Å; S714-T717 PolarHBondContact O-N 3.11Å; S714-T717 PolarHBondContact OG-OG1 3.16Å; S714-E718 PolarHBondContact O-N 2.9Å
715	R	90.8	Very high	89.2	Confident	209 Å²	209	60.7 Å²	60.7	79%	0.789	34%	0.34	S	S	*	.	H	α-helix	trans	-55.8	-41.3	-178.5	-177.5	-178.7	180	-167.8	1	114	G713 T717 K719	G713-R715 PolarHBondContact O-N 2.92Å; R715-T717 VanDerWaalsContact C-N 3.34Å; R715-K719 VanDerWaalsContact O-CB 3.28Å; R715-K719 WeakPolarHBondContact O-CB 3.28Å; R715-K719 PolarHBondContact O-N 3.24Å; R715-K719 VanDerWaalsContact O-N 3.08Å
716	P	91.4	Very high	89.5	Confident	39 Å²	39	62.4 Å²	62.4	25%	0.253	34%	0.336	S	S	.	.	H	α-helix	trans	-59.1	-43	170.8	-25.5	35	0	0	0	113	E670 L674 S714 K719 L720	E670-P716 WeakPolarHBondContact O-CB 3.34Å; L674-P716 HydrophobicContact CB-CB 4.4Å; L674-P716 HydrophobicContact CD1-CB 4.31Å; S714-P716 WeakPolarHBondContact OG-CD 3.4Å; P716-K719 PolarHBondContact O-N 3.48Å; P716-L720 PolarHBondContact O-N 2.95Å
717	T	92.5	Very high	89.9	Confident	6 Å²	6	60.8 Å²	60.8	4%	0.037	32%	0.322	C	S	.	.	H	α-helix	trans	-65.8	-48.1	-179.4	-54.8	0	0	0	0	111.4	L674 I710 S714 R715 K719 L720 F721	L674-T717 WeakPolarHBondContact CD1-OG1 3.39Å; I710-T717 HydrophobicContact CG2-CG2 3.92Å; S714-T717 WeakPolarHBondContact CB-OG1 3.48Å; S714-T717 WeakPolarHBondContact O-CA 3.43Å; S714-T717 WeakPolarHBondContact O-CB 3.16Å; S714-T717 PolarHBondContact O-N 3.11Å; S714-T717 PolarHBondContact OG-OG1 3.16Å; R715-T717 VanDerWaalsContact C-N 3.34Å; T717-K719 VanDerWaalsContact C-N 3.35Å; T717-K719 PolarHBondContact O-N 3.39Å; T717-L720 PolarHBondContact O-N 3.29Å; T717-F721 HydrophobicContact CG2-CD2 3.84Å; T717-F721 HydrophobicContact CG2-CE2 3.72Å; T717-F721 WeakPolarHBondContact O-CD2 3.25Å; T717-F721 PolarHBondContact O-N 2.96Å
718	E	92.6	Very high	90.4	Very high	100 Å²	100	59.8 Å²	59.8	47%	0.467	32%	0.318	S	S	.	.	H	α-helix	trans	-59.9	-42.3	175.9	-70.3	-179.7	173.4	0	0	112.5	G713 S714 F721 T722	G713-E718 VanDerWaalsContact CA-OE1 3.31Å; G713-E718 WeakPolarHBondContact CA-OE1 3.23Å; G713-E718 PolarHBondContact N-OE1 3.35Å; S714-E718 PolarHBondContact O-N 2.9Å; E718-F721 PolarHBondContact O-N 2.99Å; E718-T722 VanDerWaalsContact O-CB 3.3Å; E718-T722 WeakPolarHBondContact O-CB 3.45Å; E718-T722 PolarHBondContact O-N 3.26Å; E718-T722 PolarHBondContact O-OG1 2.87Å
719	K	94.1	Very high	91	Very high	97 Å²	97	56.8 Å²	56.8	42%	0.422	29%	0.294	S	S	.	.	H	α-helix	trans	-60.7	-45.1	175.9	-177.9	-173.9	176.2	-169.5	0	111.3	N678 R715 P716 T717 T722 S723	N678-K719 PolarHBondContact OD1-O 3.49Å; R715-K719 VanDerWaalsContact O-CB 3.28Å; R715-K719 WeakPolarHBondContact O-CB 3.28Å; R715-K719 PolarHBondContact O-N 3.24Å; R715-K719 VanDerWaalsContact O-N 3.08Å; P716-K719 PolarHBondContact O-N 3.48Å; T717-K719 VanDerWaalsContact C-N 3.35Å; T717-K719 PolarHBondContact O-N 3.39Å; K719-T722 PolarHBondContact O-N 3.5Å; K719-S723 PolarHBondContact O-N 2.65Å; K719-S723 PolarHBondContact O-OG 3.29Å; K719-S723 VanDerWaalsContact O-OG 3.08Å
720	L	94.8	Very high	91.7	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-61.2	-51.7	177.1	173	57.5	0	0	0	112	L674 I677 N678 V681 M700 P716 T717 T722 S723 I724	L674-L720 HydrophobicContact CD2-CD2 3.91Å; I677-L720 HydrophobicContact CG2-CD1 3.9Å; I677-L720 HydrophobicContact CG2-CD2 4.06Å; N678-L720 HydrophobicContact CB-CB 4.27Å; N678-L720 HydrophobicContact CB-CD1 3.94Å; V681-L720 HydrophobicContact CB-CD1 4.45Å; V681-L720 HydrophobicContact CG2-CD1 4.08Å; M700-L720 HydrophobicContact CE-CD2 3.69Å; M700-L720 HydrophobicContact SD-CD2 3.69Å; P716-L720 PolarHBondContact O-N 2.95Å; T717-L720 PolarHBondContact O-N 3.29Å; L720-T722 VanDerWaalsContact C-N 3.3Å; L720-T722 PolarHBondContact O-N 3.46Å; L720-S723 WeakPolarHBondContact O-CB 3.28Å; L720-S723 PolarHBondContact O-N 2.92Å; L720-S723 VanDerWaalsContact O-N 3.15Å; L720-I724 HydrophobicContact CD1-CD1 3.92Å; L720-I724 HydrophobicContact CD1-CG1 4.27Å; L720-I724 HydrophobicContact CG-CD1 3.95Å; L720-I724 WeakPolarHBondContact O-CG1 3.29Å; L720-I724 PolarHBondContact O-N 2.99Å
721	F	94.8	Very high	92.1	Very high	35 Å²	35	57.6 Å²	57.6	15%	0.154	30%	0.297	C	S	.	.	H	α-helix	trans	-64	-34.3	178.2	-78.1	-70.7	0	0	0	112.8	M700 T717 E718 I724 V725 W774 L777 L778	M700-F721 HydrophobicContact CE-CE2 4Å; M700-F721 HydrophobicContact CE-CZ 3.79Å; T717-F721 HydrophobicContact CG2-CD2 3.84Å; T717-F721 HydrophobicContact CG2-CE2 3.72Å; T717-F721 WeakPolarHBondContact O-CD2 3.25Å; T717-F721 PolarHBondContact O-N 2.96Å; E718-F721 PolarHBondContact O-N 2.99Å; F721-I724 HydrophobicContact CD1-CD1 4.06Å; F721-I724 HydrophobicContact CE1-CD1 4.43Å; F721-I724 PolarHBondContact O-N 3.29Å; F721-V725 WeakPolarHBondContact O-CG2 3.25Å; F721-V725 PolarHBondContact O-N 3.36Å; F721-W774 HydrophobicContact CE1-CZ3 4.18Å; F721-L777 HydrophobicContact CE1-CB 4.22Å; F721-L778 HydrophobicContact CD1-CD2 3.72Å; F721-L778 HydrophobicContact CE1-CD2 4.44Å
722	T	95	Very high	92.8	Very high	92 Å²	92	54.5 Å²	54.5	56%	0.564	28%	0.276	S	S	*	.	H	α-helix	trans	-62.7	-43.6	172	-58.3	0	0	0	0	111.6	E718 K719 L720 V725 K726	E718-T722 VanDerWaalsContact O-CB 3.3Å; E718-T722 WeakPolarHBondContact O-CB 3.45Å; E718-T722 PolarHBondContact O-N 3.26Å; E718-T722 PolarHBondContact O-OG1 2.87Å; K719-T722 PolarHBondContact O-N 3.5Å; L720-T722 VanDerWaalsContact C-N 3.3Å; L720-T722 PolarHBondContact O-N 3.46Å; T722-V725 PolarHBondContact O-N 3.38Å; T722-K726 VanDerWaalsContact O-CB 3.32Å; T722-K726 WeakPolarHBondContact O-CB 3.34Å; T722-K726 PolarHBondContact O-N 3Å
723	S	96.2	Very high	93.6	Very high	24 Å²	24	50.5 Å²	50.5	17%	0.168	25%	0.253	C	S	.	.	H	α-helix	trans	-64	-40.5	175.7	-61.7	0	0	0	0	112.2	N678 K719 L720 R727	N678-S723 WeakPolarHBondContact OD1-CB 3.43Å; N678-S723 PolarHBondContact OD1-OG 3.02Å; K719-S723 PolarHBondContact O-N 2.65Å; K719-S723 PolarHBondContact O-OG 3.29Å; K719-S723 VanDerWaalsContact O-OG 3.08Å; L720-S723 WeakPolarHBondContact O-CB 3.28Å; L720-S723 PolarHBondContact O-N 2.92Å; L720-S723 VanDerWaalsContact O-N 3.15Å; S723-R727 VanDerWaalsContact O-CB 3.24Å; S723-R727 WeakPolarHBondContact O-CB 3.35Å; S723-R727 PolarHBondContact O-N 3.34Å
724	I	96.7	Very high	94.1	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-59.1	-52.9	174.8	-69.7	161.2	0	0	0	110.4	V681 W685 L720 F721 K726 R727 I728 W774	V681-I724 HydrophobicContact CG1-CG1 3.8Å; V681-I724 HydrophobicContact CG2-CG1 4.46Å; W685-I724 HydrophobicContact CH2-CG2 3.97Å; W685-I724 HydrophobicContact CZ3-CB 4.35Å; W685-I724 HydrophobicContact CZ3-CG2 3.87Å; L720-I724 HydrophobicContact CD1-CD1 3.92Å; L720-I724 HydrophobicContact CD1-CG1 4.27Å; L720-I724 HydrophobicContact CG-CD1 3.95Å; L720-I724 WeakPolarHBondContact O-CG1 3.29Å; L720-I724 PolarHBondContact O-N 2.99Å; F721-I724 HydrophobicContact CD1-CD1 4.06Å; F721-I724 HydrophobicContact CE1-CD1 4.43Å; F721-I724 PolarHBondContact O-N 3.29Å; I724-K726 PolarHBondContact O-N 2.61Å; I724-R727 PolarHBondContact O-N 3.41Å; I724-I728 HydrophobicContact CG2-CD1 4.05Å; I724-I728 WeakPolarHBondContact O-CG1 3.31Å; I724-I728 PolarHBondContact O-N 3.29Å; I724-W774 HydrophobicContact CD1-CH2 3.6Å; I724-W774 HydrophobicContact CD1-CZ3 3.77Å; I724-W774 HydrophobicContact CG1-CH2 4.08Å; I724-W774 HydrophobicContact CG2-CD2 4.3Å; I724-W774 HydrophobicContact CG2-CE3 4.24Å; I724-W774 HydrophobicContact CG2-CH2 3.64Å; I724-W774 HydrophobicContact CG2-CZ2 3.69Å; I724-W774 HydrophobicContact CG2-CZ3 3.94Å
725	V	96.5	Very high	94.3	Very high	24 Å²	24	52.5 Å²	52.5	15%	0.145	25%	0.247	C	C	.	.	H	α-helix	trans	-58	-50.9	179	164.5	0	0	0	0	111	F721 T722 R727 I728 E729 L778 T782 I786	F721-V725 WeakPolarHBondContact O-CG2 3.25Å; F721-V725 PolarHBondContact O-N 3.36Å; T722-V725 PolarHBondContact O-N 3.38Å; V725-R727 VanDerWaalsContact C-N 3.29Å; V725-R727 PolarHBondContact O-N 2.83Å; V725-I728 WeakPolarHBondContact O-CB 3.22Å; V725-I728 PolarHBondContact O-N 3.12Å; V725-I728 VanDerWaalsContact O-N 3.16Å; V725-E729 HydrophobicContact CG1-CG 4.47Å; V725-E729 WeakPolarHBondContact O-CG 3.39Å; V725-E729 PolarHBondContact O-N 2.67Å; V725-L778 HydrophobicContact CG2-CD1 4.18Å; V725-L778 HydrophobicContact CG2-CD2 3.83Å; V725-T782 HydrophobicContact CG1-CG2 4.21Å; V725-T782 HydrophobicContact CG2-CG2 3.72Å; V725-I786 HydrophobicContact CB-CD1 4.38Å; V725-I786 HydrophobicContact CG1-CD1 3.84Å; V725-I786 HydrophobicContact CG2-CD1 4.1Å
726	K	95.8	Very high	94.4	Very high	128 Å²	128	42.9 Å²	42.9	56%	0.557	21%	0.212	S	C	*	.	H	α-helix	trans	-59.3	-38	178.7	-175.3	177.5	179.8	-179.8	0	112.4	T722 I724 E729 N730	T722-K726 VanDerWaalsContact O-CB 3.32Å; T722-K726 WeakPolarHBondContact O-CB 3.34Å; T722-K726 PolarHBondContact O-N 3Å; I724-K726 PolarHBondContact O-N 2.61Å; K726-E729 PolarHBondContact O-N 3.19Å; K726-N730 WeakPolarHBondContact O-CB 3.46Å; K726-N730 VanDerWaalsContact O-CG 3.23Å; K726-N730 PolarHBondContact O-N 2.81Å; K726-N730 PolarHBondContact O-OD1 3.31Å
727	R	95.6	Very high	94.4	Very high	37 Å²	37	45.4 Å²	45.4	14%	0.14	22%	0.219	C	C	.	.	H	α-helix	trans	-67.8	-39.7	177.4	-175.6	56.7	159.5	-147.8	-17.9	112.1	S682 W685 P687 S723 I724 V725 T731	S682-R727 PolarHBondContact O-NH1 2.95Å; W685-R727 HydrophobicContact CE3-CB 4.13Å; W685-R727 HydrophobicContact CE3-CG 3.71Å; W685-R727 HydrophobicContact CZ3-CB 4.12Å; W685-R727 HydrophobicContact CZ3-CG 4.08Å; W685-R727 VanDerWaalsContact O-CZ 3.3Å; W685-R727 PolarHBondContact O-NE 3.27Å; W685-R727 PolarHBondContact O-NH2 3.15Å; P687-R727 HydrophobicContact CG-CG 3.97Å; S723-R727 VanDerWaalsContact O-CB 3.24Å; S723-R727 WeakPolarHBondContact O-CB 3.35Å; S723-R727 PolarHBondContact O-N 3.34Å; I724-R727 PolarHBondContact O-N 3.41Å; V725-R727 VanDerWaalsContact C-N 3.29Å; V725-R727 PolarHBondContact O-N 2.83Å; R727-T731 PolarHBondContact O-N 2.91Å; R727-T731 VanDerWaalsContact O-N 3.08Å; R727-T731 PolarHBondContact O-OG1 2.88Å
728	I	96.7	Very high	94.4	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-62.5	-48.9	172	-64.1	165.3	0	0	0	110.3	W685 P687 I724 V725 N730 T731 I732 I771 I786	W685-I728 HydrophobicContact CH2-CD1 3.99Å; W685-I728 HydrophobicContact CH2-CG1 3.65Å; W685-I728 HydrophobicContact CZ3-CG1 3.99Å; P687-I728 HydrophobicContact CB-CG1 4.28Å; P687-I728 HydrophobicContact CG-CG1 4.25Å; I724-I728 HydrophobicContact CG2-CD1 4.05Å; I724-I728 WeakPolarHBondContact O-CG1 3.31Å; I724-I728 PolarHBondContact O-N 3.29Å; V725-I728 WeakPolarHBondContact O-CB 3.22Å; V725-I728 PolarHBondContact O-N 3.12Å; V725-I728 VanDerWaalsContact O-N 3.16Å; I728-N730 PolarHBondContact O-N 3.24Å; I728-T731 WeakPolarHBondContact O-CB 3.32Å; I728-T731 PolarHBondContact O-N 2.87Å; I728-T731 VanDerWaalsContact O-N 3.15Å; I728-I732 HydrophobicContact CG2-CD1 3.84Å; I728-I732 HydrophobicContact CG2-CG1 4.44Å; I728-I732 WeakPolarHBondContact O-CG1 3.19Å; I728-I732 PolarHBondContact O-N 3.42Å; I728-I771 HydrophobicContact CG2-CD1 3.81Å; I728-I771 HydrophobicContact CG2-CG1 3.72Å; I728-I786 HydrophobicContact CG2-CG2 3.55Å
729	E	96.1	Very high	94.1	Very high	52 Å²	52	41.3 Å²	41.3	24%	0.243	20%	0.2	C	C	.	.	H	α-helix	trans	-60.4	-43.7	179.8	-71.9	-177.2	154.2	0	0	112.6	V725 K726 T731 I732 Q733 I786	V725-E729 HydrophobicContact CG1-CG 4.47Å; V725-E729 WeakPolarHBondContact O-CG 3.39Å; V725-E729 PolarHBondContact O-N 2.67Å; K726-E729 PolarHBondContact O-N 3.19Å; E729-T731 VanDerWaalsContact C-N 3.32Å; E729-T731 PolarHBondContact O-N 3.45Å; E729-I732 PolarHBondContact O-N 3.33Å; E729-Q733 WeakPolarHBondContact O-CB 3.36Å; E729-Q733 VanDerWaalsContact O-CG 3.29Å; E729-Q733 WeakPolarHBondContact O-CG 3.39Å; E729-Q733 PolarHBondContact O-N 2.93Å; E729-I786 HydrophobicContact CG-CG1 4.4Å
730	N	94.8	Very high	93.8	Very high	59 Å²	59	42 Å²	42	32%	0.316	21%	0.208	S	C	.	.	H	α-helix	trans	-60.5	-42.7	174.4	-72.8	3	0	0	0	111.2	K726 I728 I732 Q733 E734	K726-N730 WeakPolarHBondContact O-CB 3.46Å; K726-N730 VanDerWaalsContact O-CG 3.23Å; K726-N730 PolarHBondContact O-N 2.81Å; K726-N730 PolarHBondContact O-OD1 3.31Å; I728-N730 PolarHBondContact O-N 3.24Å; N730-I732 VanDerWaalsContact C-N 3.34Å; N730-I732 PolarHBondContact O-N 3.24Å; N730-Q733 PolarHBondContact O-N 3.48Å; N730-Q733 VanDerWaalsContact O-N 3.07Å; N730-E734 WeakPolarHBondContact O-CB 3.37Å; N730-E734 WeakPolarHBondContact O-CG 3.46Å; N730-E734 PolarHBondContact O-N 2.82Å
731	T	94.9	Very high	93.4	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.018	22%	0.215	C	C	.	.	H	α-helix	trans	-62.2	-40.8	176.9	-51.9	0	0	0	0	111.5	P687 L688 R727 I728 E729 Q733 D735 I736 L767	P687-T731 HydrophobicContact CB-CG2 4.33Å; P687-T731 WeakPolarHBondContact CD-OG1 3.41Å; P687-T731 WeakPolarHBondContact CG-OG1 3.3Å; L688-T731 HydrophobicContact CD1-CG2 3.85Å; L688-T731 HydrophobicContact CG-CG2 3.92Å; R727-T731 PolarHBondContact O-N 2.91Å; R727-T731 VanDerWaalsContact O-N 3.08Å; R727-T731 PolarHBondContact O-OG1 2.88Å; I728-T731 WeakPolarHBondContact O-CB 3.32Å; I728-T731 PolarHBondContact O-N 2.87Å; I728-T731 VanDerWaalsContact O-N 3.15Å; E729-T731 VanDerWaalsContact C-N 3.32Å; E729-T731 PolarHBondContact O-N 3.45Å; T731-Q733 VanDerWaalsContact C-N 3.29Å; T731-Q733 PolarHBondContact O-N 3.4Å; T731-D735 HydrophobicContact CG2-CB 4.2Å; T731-D735 WeakPolarHBondContact O-CB 3.41Å; T731-D735 PolarHBondContact O-N 3.06Å; T731-I736 PolarHBondContact O-N 3.46Å; T731-L767 HydrophobicContact CG2-CD2 4.37Å
732	I	95.5	Very high	92.9	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-65	-30.9	173.7	-67.2	167.6	0	0	0	112.2	I728 E729 N730 L767 I771 I786 C790 L791 Y795	I728-I732 HydrophobicContact CG2-CD1 3.84Å; I728-I732 HydrophobicContact CG2-CG1 4.44Å; I728-I732 WeakPolarHBondContact O-CG1 3.19Å; I728-I732 PolarHBondContact O-N 3.42Å; E729-I732 PolarHBondContact O-N 3.33Å; N730-I732 VanDerWaalsContact C-N 3.34Å; N730-I732 PolarHBondContact O-N 3.24Å; I732-L767 HydrophobicContact CG1-CD2 3.67Å; I732-I771 HydrophobicContact CD1-CD1 3.92Å; I732-I771 HydrophobicContact CG1-CD1 4.47Å; I732-I786 HydrophobicContact CD1-CG2 3.59Å; I732-C790 HydrophobicContact CD1-CB 4.31Å; I732-C790 HydrophobicContact CG2-CB 4.25Å; I732-C790 VanDerWaalsContact CG2-O 3.25Å; I732-C790 WeakPolarHBondContact CG2-O 3.37Å; I732-L791 HydrophobicContact CD1-CB 4.29Å; I732-Y795 HydrophobicContact CG2-CD2 4.22Å; I732-Y795 HydrophobicContact CG2-CE2 3.62Å; I732-Y795 WeakPolarHBondContact O-CE2 3.33Å; I732-Y795 PolarHBondContact O-OH 2.88Å; I732-Y795 VanDerWaalsContact O-OH 3.06Å
733	Q	93.1	Very high	92.3	Very high	89 Å²	89	45 Å²	45	42%	0.416	22%	0.219	S	C	.	.	H	α-helix	trans	-88.1	-29.4	-177.1	-72.4	-177.2	52.7	0	0	114.3	E729 N730 T731	E729-Q733 WeakPolarHBondContact O-CB 3.36Å; E729-Q733 VanDerWaalsContact O-CG 3.29Å; E729-Q733 WeakPolarHBondContact O-CG 3.39Å; E729-Q733 PolarHBondContact O-N 2.93Å; N730-Q733 PolarHBondContact O-N 3.48Å; N730-Q733 VanDerWaalsContact O-N 3.07Å; T731-Q733 VanDerWaalsContact C-N 3.29Å; T731-Q733 PolarHBondContact O-N 3.4Å
734	E	91.9	Very high	91.5	Very high	103 Å²	103	48.6 Å²	48.6	48%	0.481	24%	0.24	S	C	.	.	H	α-helix	trans	-107.6	-36.5	-173	-60.8	179.8	-165.4	0	0	113.8	R439 N730	R439-E734 IonicContact CZ-OE2 3.66Å; R439-E734 IonicContact NH1-OE2 2.8Å; R439-E734 PolarHBondContact NH1-OE2 3.04Å; R439-E734 VanDerWaalsContact NH2-CB 3.26Å; R439-E734 IonicContact NH2-OE2 3.39Å; R439-E734 PolarHBondContact NH2-OE2 3.35Å; N730-E734 WeakPolarHBondContact O-CB 3.37Å; N730-E734 WeakPolarHBondContact O-CG 3.46Å; N730-E734 PolarHBondContact O-N 2.82Å
735	D	91.3	Very high	90.9	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.011	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-23.3	-172.8	-76.6	11.3	0	0	0	113.7	R438 R439 L688 T731 M763	R438-D735 IonicContact CZ-OD2 3.38Å; R438-D735 IonicContact NH1-OD2 2.73Å; R438-D735 PolarHBondContact NH1-OD2 2.71Å; R439-D735 IonicContact CZ-OD1 3.24Å; R439-D735 VanDerWaalsContact CZ-OD1 3.27Å; R439-D735 IonicContact NE-OD1 2.97Å; R439-D735 PolarHBondContact NE-OD1 2.75Å; R439-D735 IonicContact NH2-OD1 3.52Å; R439-D735 PolarHBondContact NH2-OD1 3.38Å; L688-D735 HydrophobicContact CD1-CB 3.85Å; T731-D735 HydrophobicContact CG2-CB 4.2Å; T731-D735 WeakPolarHBondContact O-CB 3.41Å; T731-D735 PolarHBondContact O-N 3.06Å; D735-M763 WeakPolarHBondContact O-CE 3.32Å
736	I	92.7	Very high	90.2	Very high	7 Å²	7	51.4 Å²	51.4	4%	0.036	25%	0.254	C	S	.	.			trans	-87.3	113.4	177.6	-59.7	-59	0	0	0	111	L688 T731 M763 L767 L791 Y795	L688-I736 HydrophobicContact CD2-CD1 4.38Å; T731-I736 PolarHBondContact O-N 3.46Å; I736-M763 HydrophobicContact CD1-CE 4.07Å; I736-M763 HydrophobicContact CD1-CG 4.44Å; I736-L767 HydrophobicContact CD1-CB 4.33Å; I736-L767 HydrophobicContact CD1-CD2 3.72Å; I736-L767 HydrophobicContact CG1-CD2 3.6Å; I736-L791 HydrophobicContact CG1-CD1 4.37Å; I736-L791 HydrophobicContact CG2-CD1 4.28Å; I736-Y795 HydrophobicContact CG2-CD1 4.2Å; I736-Y795 HydrophobicContact CG2-CD2 4.17Å; I736-Y795 HydrophobicContact CG2-CG 3.93Å
737	F	92.1	Very high	89.6	Confident	92 Å²	92	48.8 Å²	48.8	40%	0.404	24%	0.243	S	C	.	.			trans	-134.6	109.5	174.6	172.8	-104.1	0	0	0	111.1	M442 P739 F756 Q760	M442-F737 HydrophobicContact CE-CB 4.3Å; M442-F737 HydrophobicContact SD-CB 3.74Å; M442-F737 HydrophobicContact SD-CD1 4.37Å; M442-F737 HydrophobicContact SD-CG 4.48Å; F737-P739 HydrophobicContact CE1-CB 3.98Å; F737-P739 HydrophobicContact CZ-CB 4.21Å; F737-F756 HydrophobicContact CD1-CE1 4.35Å; F737-F756 HydrophobicContact CD1-CZ 4.11Å; F737-F756 HydrophobicContact CE1-CE1 4Å; F737-F756 HydrophobicContact CE1-CZ 4.14Å; F737-Q760 WeakPolarHBondContact O-CB 3.38Å; F737-Q760 WeakPolarHBondContact O-CG 3.45Å; F737-Q760 PolarHBondContact O-OE1 2.95Å
738	I	91	Very high	88.9	Confident	16 Å²	16	52.5 Å²	52.5	8%	0.082	26%	0.262	C	S	.	.			trans	-102.3	114.2	173.8	-58.4	-179.4	0	0	0	108.3	F757 Q760 F761 L796	I738-F757 HydrophobicContact CG2-CD2 3.86Å; I738-F757 HydrophobicContact CG2-CE2 3.6Å; I738-Q760 HydrophobicContact CG1-CB 4.43Å; I738-F761 HydrophobicContact CD1-CD2 4.17Å; I738-L796 HydrophobicContact CD1-CD2 3.88Å
739	P	86.7	Confident	88.2	Confident	4 Å²	4	55.2 Å²	55.2	3%	0.026	27%	0.272	C	S	.	.			trans	-71.8	147.2	-177	31.4	-38	0	0	0	111.8	F737 Y741 F756 F757	F737-P739 HydrophobicContact CE1-CB 3.98Å; F737-P739 HydrophobicContact CZ-CB 4.21Å; P739-Y741 HydrophobicContact CB-CD2 4.09Å; P739-Y741 HydrophobicContact CB-CE1 4.26Å; P739-Y741 HydrophobicContact CB-CE2 3.49Å; P739-Y741 VanDerWaalsContact CB-CE2 3.49Å; P739-Y741 HydrophobicContact CG-CD2 4.05Å; P739-Y741 HydrophobicContact CG-CE2 3.38Å; P739-F756 HydrophobicContact CB-CD1 4.4Å; P739-F756 HydrophobicContact CB-CE1 4.11Å; P739-F756 HydrophobicContact CG-CD1 3.72Å; P739-F756 HydrophobicContact CG-CE1 3.74Å; P739-F757 HydrophobicContact CG-CB 4.17Å
740	L	88.6	Confident	87.5	Confident	112 Å²	112	60.9 Å²	60.9	59%	0.586	30%	0.299	S	S	*	.			trans	-109.1	99.8	176.1	-55.4	-179.7	0	0	0	109.3	I798 C802	L740-I798 HydrophobicContact CD1-CG2 4.07Å; L740-I798 HydrophobicContact CD2-CG2 3.88Å; L740-C802 HydrophobicContact CD2-CB 3.94Å
741	Y	85.4	Confident	87	Confident	40 Å²	40	58.3 Å²	58.3	16%	0.157	29%	0.286	C	S	.	.			trans	-96.9	162.8	-177.1	-68.1	-56.7	0	0	0	112.7	V449 P739 L745 A753 F756	V449-Y741 HydrophobicContact CB-CE1 4.38Å; V449-Y741 HydrophobicContact CG1-CD1 4.34Å; V449-Y741 HydrophobicContact CG1-CE1 3.57Å; V449-Y741 HydrophobicContact CG1-CE2 4.37Å; P739-Y741 HydrophobicContact CB-CD2 4.09Å; P739-Y741 HydrophobicContact CB-CE1 4.26Å; P739-Y741 HydrophobicContact CB-CE2 3.49Å; P739-Y741 VanDerWaalsContact CB-CE2 3.49Å; P739-Y741 HydrophobicContact CG-CD2 4.05Å; P739-Y741 HydrophobicContact CG-CE2 3.38Å; Y741-L745 HydrophobicContact CD1-CD1 4.1Å; Y741-A753 HydrophobicContact CD2-CB 3.88Å; Y741-A753 HydrophobicContact CE2-CB 3.97Å; Y741-A753 WeakPolarHBondContact CE2-O 3.48Å; Y741-A753 HydrophobicContact CG-CB 4.2Å; Y741-F756 HydrophobicContact CE2-CD1 4.27Å; Y741-F756 VanDerWaalsContact OH-CD1 3.27Å; Y741-F756 WeakPolarHBondContact OH-CD1 3.39Å
742	S	83.7	Confident	86.7	Confident	56 Å²	56	61.4 Å²	61.4	39%	0.392	31%	0.306	S	S	.	.			trans	-67.5	155	172.4	62.6	0	0	0	0	111.3	T744 L745 I746	S742-T744 PolarHBondContact O-N 2.84Å; S742-T744 VanDerWaalsContact O-N 3.14Å; S742-T744 PolarHBondContact OG-OG1 3.31Å; S742-L745 PolarHBondContact O-N 3.49Å; S742-L745 WeakPolarHBondContact OG-CG 3.45Å; S742-I746 PolarHBondContact O-N 3.33Å
743	K	82.5	Confident	86.4	Confident	94 Å²	94	61.4 Å²	61.4	41%	0.409	31%	0.307	S	S	.	.	H	α-helix	trans	-49.6	-42.4	176.8	-57	-175.9	-179.1	-142.3	0	112.2	L745 I746 Q747 S805 T808	K743-L745 PolarHBondContact O-N 2.89Å; K743-I746 PolarHBondContact O-N 2.95Å; K743-Q747 VanDerWaalsContact O-CG 3.24Å; K743-Q747 WeakPolarHBondContact O-CG 3.39Å; K743-Q747 PolarHBondContact O-N 3.41Å; K743-S805 WeakPolarHBondContact CD-O 3.33Å; K743-S805 WeakPolarHBondContact CE-O 3.36Å; K743-S805 PolarHBondContact NZ-O 2.84Å; K743-T808 HydrophobicContact CD-CG2 4.16Å
744	T	81.2	Confident	86.2	Confident	99 Å²	99	57.7 Å²	57.7	61%	0.607	29%	0.29	S	S	*	.	H	α-helix	trans	-61.4	-38.1	178.8	48.5	0	0	0	0	113.9	S742	S742-T744 PolarHBondContact O-N 2.84Å; S742-T744 VanDerWaalsContact O-N 3.14Å; S742-T744 PolarHBondContact OG-OG1 3.31Å
745	L	82.5	Confident	86.1	Confident	79 Å²	79	56.9 Å²	56.9	41%	0.414	29%	0.288	S	S	.	.	H	α-helix	trans	-77.4	-30.2	-179.8	-71.4	174	0	0	0	112.5	Y741 S742 K743 A753	Y741-L745 HydrophobicContact CD1-CD1 4.1Å; S742-L745 PolarHBondContact O-N 3.49Å; S742-L745 WeakPolarHBondContact OG-CG 3.45Å; K743-L745 PolarHBondContact O-N 2.89Å; L745-A753 HydrophobicContact CB-CB 3.97Å
746	I	83.3	Confident	86.1	Confident	4 Å²	4	57 Å²	57	2%	0.021	29%	0.288	C	S	.	.	H	α-helix	trans	-81	-31.6	179.6	-60	177.2	0	0	0	111.5	S742 K743 H748 F754 C802 L803 V806	S742-I746 PolarHBondContact O-N 3.33Å; K743-I746 PolarHBondContact O-N 2.95Å; I746-H748 PolarHBondContact O-N 3.14Å; I746-F754 HydrophobicContact CG2-CD2 4.11Å; I746-F754 WeakPolarHBondContact O-CD2 3.42Å; I746-C802 HydrophobicContact CD1-CB 4.49Å; I746-C802 WeakPolarHBondContact CD1-SG 3.17Å; I746-L803 HydrophobicContact CG2-CD2 3.86Å; I746-V806 HydrophobicContact CB-CG2 3.74Å; I746-V806 HydrophobicContact CG2-CG2 3.64Å
747	Q	81.9	Confident	86	Confident	73 Å²	73	56.7 Å²	56.7	34%	0.341	29%	0.287	S	S	.	.	H	α-helix	trans	-56.9	-36.3	174.1	-79.7	166.8	-14.4	0	0	112.7	K743 R749 V806	K743-Q747 VanDerWaalsContact O-CG 3.24Å; K743-Q747 WeakPolarHBondContact O-CG 3.39Å; K743-Q747 PolarHBondContact O-N 3.41Å; Q747-R749 PolarHBondContact O-N 3.5Å; Q747-V806 HydrophobicContact CG-CB 4.5Å; Q747-V806 HydrophobicContact CG-CG1 3.47Å; Q747-V806 VanDerWaalsContact CG-CG1 3.47Å; Q747-V806 HydrophobicContact CG-CG2 4.29Å
748	H	82.4	Confident	86	Confident	116 Å²	116	55.5 Å²	55.5	54%	0.537	28%	0.282	S	S	.	.			trans	-80	83.2	178.6	-168.1	-78.1	0	0	0	111.4	I746 Q750 G751	I746-H748 PolarHBondContact O-N 3.14Å; H748-Q750 VanDerWaalsContact C-N 3.28Å; H748-Q750 PolarHBondContact O-N 3.07Å; H748-G751 WeakPolarHBondContact ND1-CA 3.18Å; H748-G751 PolarHBondContact ND1-N 3.24Å; H748-G751 WeakPolarHBondContact O-CA 3.44Å; H748-G751 PolarHBondContact O-N 2.97Å
749	R	81.4	Confident	86	Confident	57 Å²	57	56.6 Å²	56.6	22%	0.215	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-33.1	-175.3	-70.5	177.5	168.8	-81.8	-25.6	115.9	Q747 G751 F754 L836 A837 D840	Q747-R749 PolarHBondContact O-N 3.5Å; R749-G751 PolarHBondContact O-N 3.45Å; R749-F754 WeakPolarHBondContact O-CD1 3.29Å; R749-L836 VanDerWaalsContact CZ-CB 3.5Å; R749-L836 PolarHBondContact NH2-O 3.42Å; R749-L836 VanDerWaalsContact NH2-O 3.16Å; R749-A837 VanDerWaalsContact NH2-CA 3.32Å; R749-D840 IonicContact CZ-OD2 3.9Å; R749-D840 IonicContact NH1-OD1 2.69Å; R749-D840 PolarHBondContact NH1-OD1 3.11Å; R749-D840 IonicContact NH1-OD2 2.91Å; R749-D840 PolarHBondContact NH1-OD2 3.01Å; R749-D840 IonicContact NH2-OD2 3.69Å; R749-D840 PolarHBondContact NH2-OD2 2.87Å
750	Q	81.7	Confident	86.3	Confident	171 Å²	171	56.6 Å²	56.6	80%	0.799	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	7.8	175.7	-64.7	-178	-5.7	0	0	112.6	H748	H748-Q750 VanDerWaalsContact C-N 3.28Å; H748-Q750 PolarHBondContact O-N 3.07Å
751	G	84.1	Confident	86.5	Confident	5 Å²	5	51.3 Å²	51.3	5%	0.052	26%	0.257	C	S	.	.	S	Bend	trans	-83.6	152.6	-175.7	0	0	0	0	0	111.7	H748 R749 A753 F754 I755	H748-G751 WeakPolarHBondContact ND1-CA 3.18Å; H748-G751 PolarHBondContact ND1-N 3.24Å; H748-G751 WeakPolarHBondContact O-CA 3.44Å; H748-G751 PolarHBondContact O-N 2.97Å; R749-G751 PolarHBondContact O-N 3.45Å; G751-A753 PolarHBondContact O-N 3.06Å; G751-A753 VanDerWaalsContact O-N 3.16Å; G751-F754 PolarHBondContact O-N 3.43Å; G751-I755 WeakPolarHBondContact O-CG1 3.43Å; G751-I755 PolarHBondContact O-N 3.26Å; G751-I755 VanDerWaalsContact O-N 3.11Å
752	P	87.3	Confident	86.9	Confident	68 Å²	68	49.8 Å²	49.8	44%	0.442	25%	0.252	S	S	.	.	H	α-helix	trans	-59.6	-31.4	-179.9	26.7	-35.5	0	0	0	111.7	V449 F756	V449-P752 HydrophobicContact CG2-CB 4.05Å; P752-F756 VanDerWaalsContact O-CB 3.23Å; P752-F756 WeakPolarHBondContact O-CB 3.49Å; P752-F756 PolarHBondContact O-N 2.94Å
753	A	89.6	Confident	87.3	Confident	3 Å²	3	48.3 Å²	48.3	3%	0.025	24%	0.239	C	C	.	.	H	α-helix	trans	-60.5	-51	175.6	0	0	0	0	0	113	V449 Y741 L745 G751 F757	V449-A753 HydrophobicContact CG1-CB 3.61Å; Y741-A753 HydrophobicContact CD2-CB 3.88Å; Y741-A753 HydrophobicContact CE2-CB 3.97Å; Y741-A753 WeakPolarHBondContact CE2-O 3.48Å; Y741-A753 HydrophobicContact CG-CB 4.2Å; L745-A753 HydrophobicContact CB-CB 3.97Å; G751-A753 PolarHBondContact O-N 3.06Å; G751-A753 VanDerWaalsContact O-N 3.16Å; A753-F757 WeakPolarHBondContact O-CB 3.41Å; A753-F757 PolarHBondContact O-N 3.49Å
754	F	89.4	Confident	87.9	Confident	11 Å²	11	43.8 Å²	43.8	5%	0.048	22%	0.219	C	C	.	.	H	α-helix	trans	-67.7	-44.4	-179.6	-174.8	-87.5	0	0	0	111.4	I746 R749 G751 F756 F757 E758 L803	I746-F754 HydrophobicContact CG2-CD2 4.11Å; I746-F754 WeakPolarHBondContact O-CD2 3.42Å; R749-F754 WeakPolarHBondContact O-CD1 3.29Å; G751-F754 PolarHBondContact O-N 3.43Å; F754-F756 PolarHBondContact O-N 3.04Å; F754-F757 PolarHBondContact O-N 3.34Å; F754-E758 WeakPolarHBondContact O-CB 3.48Å; F754-E758 PolarHBondContact O-N 3.01Å; F754-L803 HydrophobicContact CE2-CD2 3.95Å
755	I	89	Confident	88.6	Confident	86 Å²	86	40.2 Å²	40.2	44%	0.441	20%	0.196	S	C	.	.	H	α-helix	trans	-61.2	-44.5	179.2	-64.3	167	0	0	0	111	G751 E758 R759	G751-I755 WeakPolarHBondContact O-CG1 3.43Å; G751-I755 PolarHBondContact O-N 3.26Å; G751-I755 VanDerWaalsContact O-N 3.11Å; I755-E758 PolarHBondContact O-N 3.46Å; I755-R759 WeakPolarHBondContact O-CB 3.34Å; I755-R759 PolarHBondContact O-N 3.01Å
756	F	91.2	Very high	89.1	Confident	4 Å²	4	37.2 Å²	37.2	2%	0.018	18%	0.18	C	C	.	.	H	α-helix	trans	-67.1	-45	176.8	176	-117	0	0	0	111.8	M442 M445 A446 V449 F737 P739 Y741 P752 F754 E758 R759 Q760	M442-F756 HydrophobicContact CG-CE2 4.15Å; M442-F756 HydrophobicContact CG-CZ 4.11Å; M445-F756 HydrophobicContact CB-CD2 3.34Å; M445-F756 HydrophobicContact CB-CE2 3.59Å; M445-F756 HydrophobicContact CB-CG 4.13Å; M445-F756 HydrophobicContact CE-CD2 4.01Å; M445-F756 HydrophobicContact CE-CE2 3.97Å; M445-F756 HydrophobicContact CG-CD2 4.24Å; M445-F756 HydrophobicContact SD-CD2 4Å; A446-F756 HydrophobicContact CB-CE1 3.95Å; A446-F756 HydrophobicContact CB-CZ 3.87Å; V449-F756 HydrophobicContact CG2-CB 4.28Å; V449-F756 HydrophobicContact CG2-CD1 4.48Å; F737-F756 HydrophobicContact CD1-CE1 4.35Å; F737-F756 HydrophobicContact CD1-CZ 4.11Å; F737-F756 HydrophobicContact CE1-CE1 4Å; F737-F756 HydrophobicContact CE1-CZ 4.14Å; P739-F756 HydrophobicContact CB-CD1 4.4Å; P739-F756 HydrophobicContact CB-CE1 4.11Å; P739-F756 HydrophobicContact CG-CD1 3.72Å; P739-F756 HydrophobicContact CG-CE1 3.74Å; Y741-F756 HydrophobicContact CE2-CD1 4.27Å; Y741-F756 VanDerWaalsContact OH-CD1 3.27Å; Y741-F756 WeakPolarHBondContact OH-CD1 3.39Å; P752-F756 VanDerWaalsContact O-CB 3.23Å; P752-F756 WeakPolarHBondContact O-CB 3.49Å; P752-F756 PolarHBondContact O-N 2.94Å; F754-F756 PolarHBondContact O-N 3.04Å; F756-E758 VanDerWaalsContact C-N 3.33Å; F756-E758 PolarHBondContact O-N 3.32Å; F756-R759 PolarHBondContact O-N 3.48Å; F756-Q760 HydrophobicContact CD2-CG 4.05Å; F756-Q760 HydrophobicContact CE1-CG 4.37Å; F756-Q760 HydrophobicContact CE2-CG 3.73Å; F756-Q760 HydrophobicContact CZ-CG 3.9Å; F756-Q760 WeakPolarHBondContact O-CG 3.47Å; F756-Q760 PolarHBondContact O-N 3.12Å
757	F	92.4	Very high	89.7	Confident	1 Å²	1	37 Å²	37	0%	0.004	18%	0.179	C	C	.	.	H	α-helix	trans	-54	-49.2	173.3	166.6	-88	0	0	0	111.7	I738 P739 A753 F754 R759 Q760 F761 G799 L803	I738-F757 HydrophobicContact CG2-CD2 3.86Å; I738-F757 HydrophobicContact CG2-CE2 3.6Å; P739-F757 HydrophobicContact CG-CB 4.17Å; A753-F757 WeakPolarHBondContact O-CB 3.41Å; A753-F757 PolarHBondContact O-N 3.49Å; F754-F757 PolarHBondContact O-N 3.34Å; F757-R759 PolarHBondContact O-N 3.45Å; F757-Q760 PolarHBondContact O-N 3.5Å; F757-F761 HydrophobicContact CE1-CB 4.42Å; F757-F761 HydrophobicContact CZ-CB 4.47Å; F757-F761 HydrophobicContact CZ-CD2 4.06Å; F757-F761 WeakPolarHBondContact O-CB 3.42Å; F757-F761 PolarHBondContact O-N 3.12Å; F757-G799 WeakPolarHBondContact CZ-O 3.3Å; F757-L803 HydrophobicContact CD1-CD2 4.22Å; F757-L803 HydrophobicContact CE1-CD1 3.71Å; F757-L803 HydrophobicContact CE1-CD2 3.67Å; F757-L803 HydrophobicContact CE1-CG 3.6Å; F757-L803 HydrophobicContact CZ-CD1 3.9Å; F757-L803 HydrophobicContact CZ-CD2 4.18Å; F757-L803 HydrophobicContact CZ-CG 3.65Å
758	E	91	Very high	90.4	Very high	67 Å²	67	33.5 Å²	33.5	31%	0.313	16%	0.163	S	C	.	.	H	α-helix	trans	-61.4	-47.1	-178.6	170.7	156.3	-125.6	0	0	111.5	F754 I755 F756 Q760 F761 N762 K844	F754-E758 WeakPolarHBondContact O-CB 3.48Å; F754-E758 PolarHBondContact O-N 3.01Å; I755-E758 PolarHBondContact O-N 3.46Å; F756-E758 VanDerWaalsContact C-N 3.33Å; F756-E758 PolarHBondContact O-N 3.32Å; E758-Q760 VanDerWaalsContact C-N 3.33Å; E758-Q760 PolarHBondContact O-N 2.97Å; E758-F761 PolarHBondContact O-N 2.9Å; E758-N762 VanDerWaalsContact CG-ND2 3.34Å; E758-N762 WeakPolarHBondContact CG-ND2 3.2Å; E758-N762 WeakPolarHBondContact O-CB 3.25Å; E758-N762 PolarHBondContact O-N 3.25Å; E758-N762 PolarHBondContact O-ND2 2.9Å; E758-N762 PolarHBondContact O-OD1 3.4Å; E758-K844 IonicContact OE1-NZ 2.68Å; E758-K844 PolarHBondContact OE1-NZ 3.3Å
759	R	91.1	Very high	91	Very high	39 Å²	39	32.2 Å²	32.2	15%	0.147	16%	0.155	C	C	.	.	H	α-helix	trans	-57.9	-44.1	176.9	-179.8	179	174.9	136.5	-14.5	112.3	M445 D503 I755 F756 F757 N762 M763	M445-R759 VanDerWaalsContact SD-CD 3.59Å; D503-R759 IonicContact OD1-NH1 3.71Å; D503-R759 PolarHBondContact OD1-NH1 3.2Å; D503-R759 WeakPolarHBondContact OD2-CD 3.36Å; D503-R759 IonicContact OD2-CZ 2.64Å; D503-R759 IonicContact OD2-NH1 2.81Å; D503-R759 PolarHBondContact OD2-NH1 3.04Å; D503-R759 VanDerWaalsContact OD2-NH1 3.1Å; I755-R759 WeakPolarHBondContact O-CB 3.34Å; I755-R759 PolarHBondContact O-N 3.01Å; F756-R759 PolarHBondContact O-N 3.48Å; F757-R759 PolarHBondContact O-N 3.45Å; R759-N762 PolarHBondContact O-N 2.89Å; R759-M763 PolarHBondContact O-N 3.03Å
760	Q	92.8	Very high	91.6	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.019	15%	0.146	C	C	.	.	H	α-helix	trans	-68.4	-39.5	178.1	-65	-52.2	-35.8	0	0	112.3	F737 I738 F756 F757 E758 N762 M763 G764	F737-Q760 WeakPolarHBondContact O-CB 3.38Å; F737-Q760 WeakPolarHBondContact O-CG 3.45Å; F737-Q760 PolarHBondContact O-OE1 2.95Å; I738-Q760 HydrophobicContact CG1-CB 4.43Å; F756-Q760 HydrophobicContact CD2-CG 4.05Å; F756-Q760 HydrophobicContact CE1-CG 4.37Å; F756-Q760 HydrophobicContact CE2-CG 3.73Å; F756-Q760 HydrophobicContact CZ-CG 3.9Å; F756-Q760 WeakPolarHBondContact O-CG 3.47Å; F756-Q760 PolarHBondContact O-N 3.12Å; F757-Q760 PolarHBondContact O-N 3.5Å; E758-Q760 VanDerWaalsContact C-N 3.33Å; E758-Q760 PolarHBondContact O-N 2.97Å; Q760-N762 PolarHBondContact O-N 3.48Å; Q760-M763 PolarHBondContact O-N 3.01Å; Q760-G764 PolarHBondContact O-N 3.42Å
761	F	93.8	Very high	92.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-60.8	-45.7	174.7	-169.9	-83.7	0	0	0	111.7	I738 F757 E758 M763 G764 L765 L796 L800 K844 I848	I738-F761 HydrophobicContact CD1-CD2 4.17Å; F757-F761 HydrophobicContact CE1-CB 4.42Å; F757-F761 HydrophobicContact CZ-CB 4.47Å; F757-F761 HydrophobicContact CZ-CD2 4.06Å; F757-F761 WeakPolarHBondContact O-CB 3.42Å; F757-F761 PolarHBondContact O-N 3.12Å; E758-F761 PolarHBondContact O-N 2.9Å; F761-M763 VanDerWaalsContact C-N 3.32Å; F761-M763 PolarHBondContact O-N 3.09Å; F761-G764 WeakPolarHBondContact O-CA 3.5Å; F761-G764 PolarHBondContact O-N 3.33Å; F761-G764 VanDerWaalsContact O-N 3.12Å; F761-L765 HydrophobicContact CD1-CD1 4.02Å; F761-L765 HydrophobicContact CD1-CG 4.03Å; F761-L765 HydrophobicContact CE1-CD1 3.74Å; F761-L765 HydrophobicContact CE1-CD2 4.02Å; F761-L765 HydrophobicContact CE1-CG 3.74Å; F761-L765 PolarHBondContact O-N 2.86Å; F761-L796 HydrophobicContact CD2-CD2 4.03Å; F761-L796 HydrophobicContact CE1-CD2 4.33Å; F761-L796 HydrophobicContact CE2-CB 4.24Å; F761-L796 HydrophobicContact CE2-CD2 3.82Å; F761-L796 WeakPolarHBondContact CE2-O 3.39Å; F761-L796 HydrophobicContact CG-CD2 4.37Å; F761-L796 HydrophobicContact CZ-CB 4.48Å; F761-L796 HydrophobicContact CZ-CD2 3.98Å; F761-L800 HydrophobicContact CE2-CD2 3.8Å; F761-L800 HydrophobicContact CE2-CG 3.83Å; F761-L800 HydrophobicContact CZ-CD1 4.43Å; F761-L800 HydrophobicContact CZ-CD2 3.65Å; F761-L800 HydrophobicContact CZ-CG 3.92Å; F761-K844 HydrophobicContact CD1-CD 3.77Å; F761-K844 HydrophobicContact CD1-CG 4.26Å; F761-K844 HydrophobicContact CE1-CB 3.63Å; F761-K844 HydrophobicContact CE1-CD 3.75Å; F761-K844 HydrophobicContact CE1-CG 3.84Å; F761-K844 HydrophobicContact CG-CD 4.31Å; F761-K844 HydrophobicContact CZ-CB 3.85Å; F761-K844 HydrophobicContact CZ-CD 4.28Å; F761-K844 HydrophobicContact CZ-CG 4.46Å; F761-I848 HydrophobicContact CZ-CD1 4.2Å
762	N	93.1	Very high	92.8	Very high	8 Å²	8	22.1 Å²	22.1	4%	0.043	11%	0.11	C	C	.	.	H	α-helix	trans	-67.9	-31.9	179.3	-62.2	-19.7	0	0	0	112	V502 D503 T505 E758 R759 Q760 L765 K766 K844	V502-N762 HydrophobicContact CG1-CB 4.29Å; V502-N762 WeakPolarHBondContact CG1-ND2 3.42Å; D503-N762 WeakPolarHBondContact O-CB 3.47Å; D503-N762 PolarHBondContact O-ND2 3.32Å; T505-N762 HydrophobicContact CG2-CB 4.24Å; E758-N762 VanDerWaalsContact CG-ND2 3.34Å; E758-N762 WeakPolarHBondContact CG-ND2 3.2Å; E758-N762 WeakPolarHBondContact O-CB 3.25Å; E758-N762 PolarHBondContact O-N 3.25Å; E758-N762 PolarHBondContact O-ND2 2.9Å; E758-N762 PolarHBondContact O-OD1 3.4Å; R759-N762 PolarHBondContact O-N 2.89Å; Q760-N762 PolarHBondContact O-N 3.48Å; N762-L765 PolarHBondContact O-N 3Å; N762-K766 WeakPolarHBondContact O-CB 3.32Å; N762-K766 PolarHBondContact O-N 3.46Å; N762-K844 PolarHBondContact OD1-NZ 2.98Å
763	M	92.7	Very high	93.2	Very high	25 Å²	25	20.4 Å²	20.4	12%	0.123	10%	0.097	C	C	.	.	H	α-helix	trans	-64.6	-38.9	170.1	-171.1	172.7	78.5	0	0	111.7	L688 D735 I736 R759 Q760 F761 K766 L767	L688-M763 HydrophobicContact CD1-SD 4.42Å; L688-M763 HydrophobicContact CD2-CG 3.75Å; D735-M763 WeakPolarHBondContact O-CE 3.32Å; I736-M763 HydrophobicContact CD1-CE 4.07Å; I736-M763 HydrophobicContact CD1-CG 4.44Å; R759-M763 PolarHBondContact O-N 3.03Å; Q760-M763 PolarHBondContact O-N 3.01Å; F761-M763 VanDerWaalsContact C-N 3.32Å; F761-M763 PolarHBondContact O-N 3.09Å; M763-K766 WeakPolarHBondContact O-CB 3.38Å; M763-K766 PolarHBondContact O-N 3.1Å; M763-L767 PolarHBondContact O-N 3.37Å
764	G	94.7	Very high	93.4	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-64.2	-42.4	171.6	0	0	0	0	0	113.4	Q760 F761 K766 L767 L768	Q760-G764 PolarHBondContact O-N 3.42Å; F761-G764 WeakPolarHBondContact O-CA 3.5Å; F761-G764 PolarHBondContact O-N 3.33Å; F761-G764 VanDerWaalsContact O-N 3.12Å; G764-K766 VanDerWaalsContact C-N 3.34Å; G764-K766 PolarHBondContact O-N 3.39Å; G764-L767 PolarHBondContact O-N 3.48Å; G764-L768 PolarHBondContact O-N 3.35Å
765	L	94.4	Very high	93.5	Very high	23 Å²	23	21.9 Å²	21.9	12%	0.12	10%	0.104	C	C	.	.	H	α-helix	trans	-62.2	-39.9	172.3	-71	-177.4	0	0	0	112.4	F761 N762 L768 K769 L796 I848 L851	F761-L765 HydrophobicContact CD1-CD1 4.02Å; F761-L765 HydrophobicContact CD1-CG 4.03Å; F761-L765 HydrophobicContact CE1-CD1 3.74Å; F761-L765 HydrophobicContact CE1-CD2 4.02Å; F761-L765 HydrophobicContact CE1-CG 3.74Å; F761-L765 PolarHBondContact O-N 2.86Å; N762-L765 PolarHBondContact O-N 3Å; L765-L768 WeakPolarHBondContact O-CB 3.47Å; L765-L768 PolarHBondContact O-N 2.86Å; L765-K769 PolarHBondContact O-N 2.9Å; L765-L796 HydrophobicContact CD2-CD1 4.3Å; L765-I848 HydrophobicContact CD2-CG1 3.59Å; L765-L851 HydrophobicContact CD2-CD1 4.46Å
766	K	94.1	Very high	93.4	Very high	16 Å²	16	24.2 Å²	24.2	7%	0.07	12%	0.117	C	C	.	.	H	α-helix	trans	-63	-44.3	175.9	-171.5	-153	-177.2	-173.4	0	111.3	T505 T507 L688 N762 M763 G764 L768 K769 N770	T505-K766 VanDerWaalsContact O-CD 3.23Å; T505-K766 WeakPolarHBondContact O-CD 3.36Å; T505-K766 WeakPolarHBondContact O-CE 3.34Å; T505-K766 PolarHBondContact O-NZ 2.94Å; T507-K766 VanDerWaalsContact CA-NZ 3.34Å; T507-K766 PolarHBondContact OG1-NZ 3.19Å; L688-K766 WeakPolarHBondContact O-CE 3.49Å; L688-K766 PolarHBondContact O-NZ 3.01Å; N762-K766 WeakPolarHBondContact O-CB 3.32Å; N762-K766 PolarHBondContact O-N 3.46Å; M763-K766 WeakPolarHBondContact O-CB 3.38Å; M763-K766 PolarHBondContact O-N 3.1Å; G764-K766 VanDerWaalsContact C-N 3.34Å; G764-K766 PolarHBondContact O-N 3.39Å; K766-L768 VanDerWaalsContact C-N 3.32Å; K766-L768 PolarHBondContact O-N 3.36Å; K766-K769 WeakPolarHBondContact O-CB 3.43Å; K766-K769 PolarHBondContact O-N 2.78Å; K766-N770 PolarHBondContact O-N 2.97Å; K766-N770 PolarHBondContact O-OD1 2.86Å
767	L	95.7	Very high	93.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.6	-40.4	174.8	-174.2	56.9	0	0	0	111.5	P687 L688 T731 I732 I736 M763 G764 K769 N770 I771 L791	P687-L767 HydrophobicContact CB-CD1 4.02Å; P687-L767 WeakPolarHBondContact O-CD1 3.44Å; L688-L767 HydrophobicContact CD2-CB 3.84Å; L688-L767 HydrophobicContact CD2-CD1 4.24Å; L688-L767 HydrophobicContact CD2-CD2 4.49Å; L688-L767 HydrophobicContact CD2-CG 4.39Å; L688-L767 HydrophobicContact CG-CD1 4.27Å; T731-L767 HydrophobicContact CG2-CD2 4.37Å; I732-L767 HydrophobicContact CG1-CD2 3.67Å; I736-L767 HydrophobicContact CD1-CB 4.33Å; I736-L767 HydrophobicContact CD1-CD2 3.72Å; I736-L767 HydrophobicContact CG1-CD2 3.6Å; M763-L767 PolarHBondContact O-N 3.37Å; G764-L767 PolarHBondContact O-N 3.48Å; L767-K769 PolarHBondContact O-N 2.81Å; L767-N770 PolarHBondContact O-N 3.27Å; L767-I771 HydrophobicContact CD1-CD1 4.24Å; L767-I771 HydrophobicContact CD1-CG1 4.3Å; L767-I771 HydrophobicContact CD2-CD1 4.5Å; L767-I771 HydrophobicContact CG-CD1 3.81Å; L767-I771 HydrophobicContact CG-CG1 4.36Å; L767-I771 WeakPolarHBondContact O-CD1 3.46Å; L767-I771 VanDerWaalsContact O-CG1 3.23Å; L767-I771 WeakPolarHBondContact O-CG1 3.2Å; L767-I771 PolarHBondContact O-N 3.23Å; L767-L791 HydrophobicContact CB-CD2 4.3Å; L767-L791 HydrophobicContact CG-CD2 4.27Å
768	L	96	Very high	93.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-57.7	-47.1	173.6	178.4	62.5	0	0	0	111.3	G764 L765 K766 N770 I771 L772 L791 I792 L796 I848 L851	G764-L768 PolarHBondContact O-N 3.35Å; L765-L768 WeakPolarHBondContact O-CB 3.47Å; L765-L768 PolarHBondContact O-N 2.86Å; K766-L768 VanDerWaalsContact C-N 3.32Å; K766-L768 PolarHBondContact O-N 3.36Å; L768-N770 VanDerWaalsContact C-N 3.35Å; L768-N770 PolarHBondContact O-N 2.99Å; L768-I771 PolarHBondContact O-N 3.38Å; L768-L772 HydrophobicContact CD1-CD1 3.9Å; L768-L772 HydrophobicContact CD1-CG 4.19Å; L768-L772 HydrophobicContact CG-CD1 3.93Å; L768-L772 VanDerWaalsContact O-CG 3.25Å; L768-L772 WeakPolarHBondContact O-CG 3.25Å; L768-L772 PolarHBondContact O-N 3.03Å; L768-L791 HydrophobicContact CB-CD2 3.77Å; L768-L791 HydrophobicContact CD1-CD2 4.41Å; L768-I792 HydrophobicContact CD1-CD1 3.86Å; L768-I792 HydrophobicContact CD1-CG1 4.31Å; L768-I792 HydrophobicContact CD2-CD1 3.86Å; L768-I792 HydrophobicContact CD2-CG1 4.07Å; L768-L796 HydrophobicContact CD2-CD1 4.4Å; L768-I848 HydrophobicContact CD2-CG2 4.28Å; L768-L851 HydrophobicContact CD2-CB 4.36Å; L768-L851 HydrophobicContact CD2-CD1 4.03Å; L768-L851 HydrophobicContact CG-CD1 4.37Å
769	K	95	Very high	93.3	Very high	89 Å²	89	26.1 Å²	26.1	39%	0.387	14%	0.135	S	C	.	.	H	α-helix	trans	-56.7	-46.8	174.6	-171.3	-166.3	-179.8	-166.1	0	111.6	E690 L765 K766 L767 L772 L773 L851	E690-K769 WeakPolarHBondContact OE1-CE 3.17Å; E690-K769 IonicContact OE1-NZ 3.46Å; E690-K769 PolarHBondContact OE1-NZ 3Å; E690-K769 IonicContact OE2-NZ 2.71Å; L765-K769 PolarHBondContact O-N 2.9Å; K766-K769 WeakPolarHBondContact O-CB 3.43Å; K766-K769 PolarHBondContact O-N 2.78Å; L767-K769 PolarHBondContact O-N 2.81Å; K769-L772 PolarHBondContact O-N 3.12Å; K769-L773 PolarHBondContact O-N 3.22Å; K769-L851 HydrophobicContact CB-CD2 4.23Å; K769-L851 HydrophobicContact CG-CD2 4.21Å
770	N	95.4	Very high	93.2	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.011	15%	0.145	C	C	.	.	H	α-helix	trans	-64.5	-39.7	179.2	-70.7	0.8	0	0	0	112.6	P687 L688 E690 K766 L767 L768 L772 L773	P687-N770 WeakPolarHBondContact O-CB 3.37Å; P687-N770 PolarHBondContact O-ND2 3.15Å; L688-N770 PolarHBondContact O-ND2 3.4Å; E690-N770 PolarHBondContact N-ND2 3.1Å; K766-N770 PolarHBondContact O-N 2.97Å; K766-N770 PolarHBondContact O-OD1 2.86Å; L767-N770 PolarHBondContact O-N 3.27Å; L768-N770 VanDerWaalsContact C-N 3.35Å; L768-N770 PolarHBondContact O-N 2.99Å; N770-L772 VanDerWaalsContact C-N 3.33Å; N770-L773 VanDerWaalsContact O-CB 3.29Å; N770-L773 WeakPolarHBondContact O-CB 3.44Å; N770-L773 WeakPolarHBondContact O-CG 3.45Å; N770-L773 PolarHBondContact O-N 3.1Å
771	I	95.9	Very high	93.1	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.01	18%	0.176	C	C	.	.	H	α-helix	trans	-62.5	-42.3	175.1	-70.1	163.2	0	0	0	110.3	I728 I732 L767 L768 L773 W774 L783 I786 L791	I728-I771 HydrophobicContact CG2-CD1 3.81Å; I728-I771 HydrophobicContact CG2-CG1 3.72Å; I732-I771 HydrophobicContact CD1-CD1 3.92Å; I732-I771 HydrophobicContact CG1-CD1 4.47Å; L767-I771 HydrophobicContact CD1-CD1 4.24Å; L767-I771 HydrophobicContact CD1-CG1 4.3Å; L767-I771 HydrophobicContact CD2-CD1 4.5Å; L767-I771 HydrophobicContact CG-CD1 3.81Å; L767-I771 HydrophobicContact CG-CG1 4.36Å; L767-I771 WeakPolarHBondContact O-CD1 3.46Å; L767-I771 VanDerWaalsContact O-CG1 3.23Å; L767-I771 WeakPolarHBondContact O-CG1 3.2Å; L767-I771 PolarHBondContact O-N 3.23Å; L768-I771 PolarHBondContact O-N 3.38Å; I771-L773 PolarHBondContact O-N 3.36Å; I771-W774 WeakPolarHBondContact O-CB 3.42Å; I771-W774 PolarHBondContact O-N 2.9Å; I771-L783 HydrophobicContact CG2-CD1 3.67Å; I771-I786 HydrophobicContact CD1-CG2 4.08Å; I771-I786 HydrophobicContact CG2-CG2 4.18Å; I771-L791 HydrophobicContact CD1-CD2 3.79Å
772	L	94.6	Very high	93.1	Very high	16 Å²	16	35.9 Å²	35.9	8%	0.084	19%	0.191	C	C	.	.	H	α-helix	trans	-71.7	-7.9	179.5	-64.5	171.1	0	0	0	113.6	L768 K769 N770 W774 I775 L851 P853 W856	L768-L772 HydrophobicContact CD1-CD1 3.9Å; L768-L772 HydrophobicContact CD1-CG 4.19Å; L768-L772 HydrophobicContact CG-CD1 3.93Å; L768-L772 VanDerWaalsContact O-CG 3.25Å; L768-L772 WeakPolarHBondContact O-CG 3.25Å; L768-L772 PolarHBondContact O-N 3.03Å; K769-L772 PolarHBondContact O-N 3.12Å; N770-L772 VanDerWaalsContact C-N 3.33Å; L772-W774 PolarHBondContact O-N 2.73Å; L772-I775 HydrophobicContact CB-CD1 4.15Å; L772-I775 HydrophobicContact CD2-CD1 4.28Å; L772-I775 WeakPolarHBondContact O-CD1 3.36Å; L772-I775 WeakPolarHBondContact O-CG1 3.27Å; L772-I775 PolarHBondContact O-N 2.7Å; L772-L851 HydrophobicContact CD1-CB 4.13Å; L772-L851 VanDerWaalsContact CD1-O 3.29Å; L772-L851 WeakPolarHBondContact CD1-O 3.47Å; L772-P853 HydrophobicContact CD2-CG 4.42Å; L772-W856 HydrophobicContact CD2-CH2 3.65Å; L772-W856 HydrophobicContact CD2-CZ2 4.48Å; L772-W856 HydrophobicContact CD2-CZ3 4Å
773	L	94.5	Very high	93.1	Very high	32 Å²	32	35.5 Å²	35.5	17%	0.168	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-24.2	165.9	-60.5	174.7	0	0	0	112.2	L694 V697 R701 K769 N770 I771 I775	L694-L773 HydrophobicContact CD2-CD1 3.73Å; L694-L773 HydrophobicContact CD2-CD2 3.75Å; L694-L773 HydrophobicContact CD2-CG 4.36Å; L694-L773 HydrophobicContact CG-CD1 3.8Å; V697-L773 WeakPolarHBondContact CG1-O 3.4Å; V697-L773 HydrophobicContact CG2-CB 4.15Å; R701-L773 PolarHBondContact NH2-O 2.84Å; K769-L773 PolarHBondContact O-N 3.22Å; N770-L773 VanDerWaalsContact O-CB 3.29Å; N770-L773 WeakPolarHBondContact O-CB 3.44Å; N770-L773 WeakPolarHBondContact O-CG 3.45Å; N770-L773 PolarHBondContact O-N 3.1Å; I771-L773 PolarHBondContact O-N 3.36Å; L773-I775 VanDerWaalsContact C-N 3.26Å; L773-I775 PolarHBondContact O-N 3.19Å
774	W	94.9	Very high	93.1	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.008	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	6.6	-178.7	-64.1	87.5	0	0	0	114.7	W685 L696 V697 M700 F721 I724 I771 L772 N776 L777 L778 L783	W685-W774 AromaticContact CH2-CZ2 3.69Å; W685-W774 HydrophobicContact CH2-CZ2 3.69Å; W685-W774 AromaticContact CH2-NE1 3.99Å; W685-W774 AromaticContact CZ2-CZ2 3.73Å; W685-W774 HydrophobicContact CZ2-CZ2 3.73Å; W685-W774 AromaticContact CZ2-NE1 3.99Å; L696-W774 HydrophobicContact CD2-CH2 3.8Å; L696-W774 HydrophobicContact CD2-CZ2 3.86Å; L696-W774 HydrophobicContact CG-CH2 3.84Å; L696-W774 HydrophobicContact CG-CZ2 4.18Å; V697-W774 HydrophobicContact CG2-CD2 3.58Å; V697-W774 VanDerWaalsContact CG2-CE2 3.42Å; V697-W774 HydrophobicContact CG2-CE3 3.96Å; V697-W774 HydrophobicContact CG2-CG 4.04Å; V697-W774 HydrophobicContact CG2-CH2 4.06Å; V697-W774 HydrophobicContact CG2-CZ2 3.7Å; V697-W774 HydrophobicContact CG2-CZ3 4.18Å; M700-W774 HydrophobicContact CG-CZ3 4.45Å; F721-W774 HydrophobicContact CE1-CZ3 4.18Å; I724-W774 HydrophobicContact CD1-CH2 3.6Å; I724-W774 HydrophobicContact CD1-CZ3 3.77Å; I724-W774 HydrophobicContact CG1-CH2 4.08Å; I724-W774 HydrophobicContact CG2-CD2 4.3Å; I724-W774 HydrophobicContact CG2-CE3 4.24Å; I724-W774 HydrophobicContact CG2-CH2 3.64Å; I724-W774 HydrophobicContact CG2-CZ2 3.69Å; I724-W774 HydrophobicContact CG2-CZ3 3.94Å; I771-W774 WeakPolarHBondContact O-CB 3.42Å; I771-W774 PolarHBondContact O-N 2.9Å; L772-W774 PolarHBondContact O-N 2.73Å; W774-N776 PolarHBondContact O-N 2.89Å; W774-L777 HydrophobicContact CE3-CB 4.21Å; W774-L777 HydrophobicContact CE3-CD1 3.88Å; W774-L777 HydrophobicContact CZ3-CD1 4.08Å; W774-L777 PolarHBondContact O-N 3.24Å; W774-L778 HydrophobicContact CB-CD1 3.78Å; W774-L778 HydrophobicContact CB-CG 4.07Å; W774-L778 HydrophobicContact CD2-CD1 4.45Å; W774-L778 HydrophobicContact CE3-CG 4.41Å; W774-L778 HydrophobicContact CG-CD1 4.13Å; W774-L778 PolarHBondContact O-N 3.4Å; W774-L778 VanDerWaalsContact O-N 3.1Å; W774-L783 HydrophobicContact CB-CD1 4.35Å
775	I	91.1	Very high	93	Very high	43 Å²	43	40.7 Å²	40.7	22%	0.221	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	136.6	168.5	-66.7	165	0	0	0	109.3	R701 L772 L773 L777 M780 L783 P853	R701-I775 PolarHBondContact NH2-O 2.7Å; R701-I775 VanDerWaalsContact NH2-O 3.16Å; L772-I775 HydrophobicContact CB-CD1 4.15Å; L772-I775 HydrophobicContact CD2-CD1 4.28Å; L772-I775 WeakPolarHBondContact O-CD1 3.36Å; L772-I775 WeakPolarHBondContact O-CG1 3.27Å; L772-I775 PolarHBondContact O-N 2.7Å; L773-I775 VanDerWaalsContact C-N 3.26Å; L773-I775 PolarHBondContact O-N 3.19Å; I775-L777 PolarHBondContact O-N 3.24Å; I775-M780 HydrophobicContact CG2-CE 4.47Å; I775-L783 HydrophobicContact CB-CD2 4.38Å; I775-L783 HydrophobicContact CG1-CD2 3.65Å; I775-P853 HydrophobicContact CD1-CG 3.51Å; I775-P853 HydrophobicContact CG1-CG 4.35Å
776	N	87	Confident	93	Very high	135 Å²	135	39.6 Å²	39.6	72%	0.722	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.5	8.7	-174.5	-50.7	-22.3	0	0	0	115.7	W774	W774-N776 PolarHBondContact O-N 2.89Å
777	L	90.6	Very high	93	Very high	35 Å²	35	38.8 Å²	38.8	18%	0.183	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-44.1	168.6	-68.1	180	0	0	0	112.3	V697 M700 R701 F721 W774 I775	V697-L777 HydrophobicContact CG1-CD1 4.04Å; M700-L777 HydrophobicContact CB-CD1 3.97Å; R701-L777 HydrophobicContact CG-CD1 4.15Å; R701-L777 HydrophobicContact CG-CD2 4.01Å; R701-L777 HydrophobicContact CG-CG 4.26Å; F721-L777 HydrophobicContact CE1-CB 4.22Å; W774-L777 HydrophobicContact CE3-CB 4.21Å; W774-L777 HydrophobicContact CE3-CD1 3.88Å; W774-L777 HydrophobicContact CZ3-CD1 4.08Å; W774-L777 PolarHBondContact O-N 3.24Å; I775-L777 PolarHBondContact O-N 3.24Å
778	L	92	Very high	92.9	Very high	14 Å²	14	38.8 Å²	38.8	7%	0.073	20%	0.202	C	C	.	.	S	Bend	trans	-89.7	151.4	173.7	-68.3	176.3	0	0	0	111	F721 V725 W774 L783	F721-L778 HydrophobicContact CD1-CD2 3.72Å; F721-L778 HydrophobicContact CE1-CD2 4.44Å; V725-L778 HydrophobicContact CG2-CD1 4.18Å; V725-L778 HydrophobicContact CG2-CD2 3.83Å; W774-L778 HydrophobicContact CB-CD1 3.78Å; W774-L778 HydrophobicContact CB-CG 4.07Å; W774-L778 HydrophobicContact CD2-CD1 4.45Å; W774-L778 HydrophobicContact CE3-CG 4.41Å; W774-L778 HydrophobicContact CG-CD1 4.13Å; W774-L778 PolarHBondContact O-N 3.4Å; W774-L778 VanDerWaalsContact O-N 3.1Å; L778-L783 HydrophobicContact CB-CB 4.47Å; L778-L783 HydrophobicContact CD1-CD1 4.29Å
779	S	90	Very high	92.7	Very high	63 Å²	63	41.4 Å²	41.4	44%	0.441	22%	0.218	S	C	.	.			trans	-59.7	146.5	173.4	74.5	0	0	0	0	110.7	D781 T782 L783	S779-D781 PolarHBondContact O-N 3.2Å; S779-T782 PolarHBondContact O-N 3.33Å; S779-T782 VanDerWaalsContact OG-CB 3.25Å; S779-T782 WeakPolarHBondContact OG-CB 3.34Å; S779-T782 PolarHBondContact OG-N 3.3Å; S779-T782 PolarHBondContact OG-OG1 2.98Å; S779-L783 WeakPolarHBondContact O-CB 3.32Å; S779-L783 PolarHBondContact O-N 2.97Å
780	M	89.8	Confident	92.7	Very high	75 Å²	75	38.2 Å²	38.2	37%	0.369	21%	0.207	S	C	.	.	H	α-helix	trans	-62.3	-33.9	-177.2	-71.7	-67.3	164	0	0	112.1	I775 K784 W856	I775-M780 HydrophobicContact CG2-CE 4.47Å; M780-K784 VanDerWaalsContact O-CB 3.22Å; M780-K784 WeakPolarHBondContact O-CB 3.45Å; M780-K784 WeakPolarHBondContact O-CG 3.3Å; M780-K784 PolarHBondContact O-N 3.47Å; M780-W856 HydrophobicContact SD-CZ2 4.39Å; M780-W856 PolarHBondContact SD-NE1 3.45Å; M780-W856 VanDerWaalsContact SD-NE1 3.41Å
781	D	90.3	Very high	92.7	Very high	124 Å²	124	38.1 Å²	38.1	66%	0.663	21%	0.206	S	C	*	.	H	α-helix	trans	-70.4	-44.8	178.9	-56.3	-61.1	0	0	0	112.2	S779 H785	S779-D781 PolarHBondContact O-N 3.2Å; D781-H785 VanDerWaalsContact O-CB 3.32Å; D781-H785 WeakPolarHBondContact O-CB 3.23Å; D781-H785 PolarHBondContact O-N 3.48Å
782	T	92.9	Very high	92.6	Very high	50 Å²	50	38 Å²	38	31%	0.307	21%	0.206	S	C	.	.	H	α-helix	trans	-62.9	-44.1	174.1	-63.8	0	0	0	0	110.8	V725 S779 H785 I786	V725-T782 HydrophobicContact CG1-CG2 4.21Å; V725-T782 HydrophobicContact CG2-CG2 3.72Å; S779-T782 PolarHBondContact O-N 3.33Å; S779-T782 VanDerWaalsContact OG-CB 3.25Å; S779-T782 WeakPolarHBondContact OG-CB 3.34Å; S779-T782 PolarHBondContact OG-N 3.3Å; S779-T782 PolarHBondContact OG-OG1 2.98Å; T782-H785 PolarHBondContact O-N 3.49Å; T782-I786 HydrophobicContact CG2-CD1 3.73Å; T782-I786 HydrophobicContact CG2-CG1 4.46Å; T782-I786 VanDerWaalsContact O-CG1 3.28Å; T782-I786 WeakPolarHBondContact O-CG1 3.41Å; T782-I786 PolarHBondContact O-N 3.38Å
783	L	93.6	Very high	92.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-67.3	-41.7	-179.2	-166.4	60.5	0	0	0	111.8	I771 W774 I775 L778 S779 S787 W856	I771-L783 HydrophobicContact CG2-CD1 3.67Å; W774-L783 HydrophobicContact CB-CD1 4.35Å; I775-L783 HydrophobicContact CB-CD2 4.38Å; I775-L783 HydrophobicContact CG1-CD2 3.65Å; L778-L783 HydrophobicContact CB-CB 4.47Å; L778-L783 HydrophobicContact CD1-CD1 4.29Å; S779-L783 WeakPolarHBondContact O-CB 3.32Å; S779-L783 PolarHBondContact O-N 2.97Å; L783-S787 WeakPolarHBondContact O-CB 3.45Å; L783-S787 PolarHBondContact O-N 2.96Å; L783-S787 PolarHBondContact O-OG 3.45Å; L783-W856 HydrophobicContact CB-CH2 4.44Å; L783-W856 HydrophobicContact CB-CZ2 4.25Å; L783-W856 HydrophobicContact CD2-CH2 4.25Å; L783-W856 HydrophobicContact CD2-CZ2 3.92Å; L783-W856 HydrophobicContact CG-CH2 3.9Å; L783-W856 HydrophobicContact CG-CZ2 3.93Å
784	K	92.1	Very high	92.4	Very high	48 Å²	48	42 Å²	42	21%	0.209	22%	0.218	C	C	.	.	H	α-helix	trans	-60.9	-42.7	170.6	-78.4	174.2	179.8	179.6	0	111.8	M780 L788 W856	M780-K784 VanDerWaalsContact O-CB 3.22Å; M780-K784 WeakPolarHBondContact O-CB 3.45Å; M780-K784 WeakPolarHBondContact O-CG 3.3Å; M780-K784 PolarHBondContact O-N 3.47Å; K784-L788 HydrophobicContact CB-CD1 4.09Å; K784-L788 HydrophobicContact CG-CD1 4.08Å; K784-L788 WeakPolarHBondContact O-CA 3.21Å; K784-L788 WeakPolarHBondContact O-CB 3.27Å; K784-L788 PolarHBondContact O-N 3.17Å; K784-W856 HydrophobicContact CG-CD2 3.89Å; K784-W856 HydrophobicContact CG-CE3 4.1Å; K784-W856 HydrophobicContact CG-CG 4.43Å; K784-W856 HydrophobicContact CG-CH2 4.25Å; K784-W856 HydrophobicContact CG-CZ2 4.02Å; K784-W856 HydrophobicContact CG-CZ3 4.28Å
785	H	93.3	Very high	92.4	Very high	85 Å²	85	43.7 Å²	43.7	39%	0.394	23%	0.225	S	C	.	.	I	π-helix	trans	-60	-51.4	178	-176	81	0	0	0	111.7	D781 T782 T789 C790	D781-H785 VanDerWaalsContact O-CB 3.32Å; D781-H785 WeakPolarHBondContact O-CB 3.23Å; D781-H785 PolarHBondContact O-N 3.48Å; T782-H785 PolarHBondContact O-N 3.49Å; H785-T789 WeakPolarHBondContact O-CA 3.36Å; H785-T789 WeakPolarHBondContact O-CB 3.49Å; H785-T789 PolarHBondContact O-N 2.85Å; H785-C790 PolarHBondContact O-N 3.4Å
786	I	94.4	Very high	92.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.214	C	C	.	.	I	π-helix	trans	-65.3	-48.4	-177.6	-63.3	166	0	0	0	110.9	V725 I728 E729 I732 I771 T782 C790 L791	V725-I786 HydrophobicContact CB-CD1 4.38Å; V725-I786 HydrophobicContact CG1-CD1 3.84Å; V725-I786 HydrophobicContact CG2-CD1 4.1Å; I728-I786 HydrophobicContact CG2-CG2 3.55Å; E729-I786 HydrophobicContact CG-CG1 4.4Å; I732-I786 HydrophobicContact CD1-CG2 3.59Å; I771-I786 HydrophobicContact CD1-CG2 4.08Å; I771-I786 HydrophobicContact CG2-CG2 4.18Å; T782-I786 HydrophobicContact CG2-CD1 3.73Å; T782-I786 HydrophobicContact CG2-CG1 4.46Å; T782-I786 VanDerWaalsContact O-CG1 3.28Å; T782-I786 WeakPolarHBondContact O-CG1 3.41Å; T782-I786 PolarHBondContact O-N 3.38Å; I786-C790 WeakPolarHBondContact O-CB 3.21Å; I786-C790 PolarHBondContact O-N 3.31Å; I786-L791 PolarHBondContact O-N 3.39Å; I786-L791 VanDerWaalsContact O-N 3.12Å
787	S	94.4	Very high	92.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.183	C	C	.	.	I	π-helix	trans	-74.3	-53.6	-175.9	59.4	0	0	0	0	113.2	L783 I792 W856	L783-S787 WeakPolarHBondContact O-CB 3.45Å; L783-S787 PolarHBondContact O-N 2.96Å; L783-S787 PolarHBondContact O-OG 3.45Å; S787-I792 WeakPolarHBondContact O-CB 3.41Å; S787-I792 WeakPolarHBondContact O-CD1 3.23Å; S787-I792 VanDerWaalsContact O-CG1 3.32Å; S787-I792 WeakPolarHBondContact O-CG1 3.41Å; S787-I792 PolarHBondContact O-N 2.93Å; S787-W856 WeakPolarHBondContact OG-CH2 3.47Å; S787-W856 VanDerWaalsContact OG-CZ3 3.25Å; S787-W856 WeakPolarHBondContact OG-CZ3 3.33Å
788	L	92.8	Very high	92.8	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.194	C	C	.	.	I	π-helix	trans	-77.7	-52.6	-175.9	-56.8	170.6	0	0	0	110.9	K784 I792 N793 L852 W856 P898 L899 I902	K784-L788 HydrophobicContact CB-CD1 4.09Å; K784-L788 HydrophobicContact CG-CD1 4.08Å; K784-L788 WeakPolarHBondContact O-CA 3.21Å; K784-L788 WeakPolarHBondContact O-CB 3.27Å; K784-L788 PolarHBondContact O-N 3.17Å; L788-I792 HydrophobicContact CD2-CD1 3.93Å; L788-N793 WeakPolarHBondContact O-CB 3.4Å; L788-N793 PolarHBondContact O-N 3.3Å; L788-N793 PolarHBondContact O-ND2 2.85Å; L788-L852 HydrophobicContact CD2-CD1 3.97Å; L788-L852 HydrophobicContact CD2-CD2 3.91Å; L788-W856 HydrophobicContact CD1-CE3 4.33Å; L788-W856 HydrophobicContact CG-CE3 4.5Å; L788-W856 HydrophobicContact CG-CZ3 4.39Å; L788-P898 HydrophobicContact CB-CB 3.82Å; L788-P898 HydrophobicContact CD1-CB 3.75Å; L788-P898 HydrophobicContact CD1-CG 3.71Å; L788-P898 HydrophobicContact CG-CB 4.44Å; L788-L899 HydrophobicContact CD1-CD1 4.48Å; L788-L899 HydrophobicContact CD1-CG 4.29Å; L788-I902 HydrophobicContact CD2-CD1 3.99Å
789	T	92.2	Very high	92.7	Very high	54 Å²	54	37.3 Å²	37.3	33%	0.331	19%	0.191	S	C	.	.	I	π-helix	trans	-79.3	-53.5	-173.6	-55.8	0	0	0	0	112.6	H785	H785-T789 WeakPolarHBondContact O-CA 3.36Å; H785-T789 WeakPolarHBondContact O-CB 3.49Å; H785-T789 PolarHBondContact O-N 2.85Å
790	C	94.1	Very high	92.7	Very high	22 Å²	22	34.3 Å²	34.3	15%	0.149	17%	0.17	C	C	.	.	I	π-helix	trans	-77.4	-31.1	-173.6	-69.8	0	0	0	0	114.1	I732 H785 I786 R794 Y795	I732-C790 HydrophobicContact CD1-CB 4.31Å; I732-C790 HydrophobicContact CG2-CB 4.25Å; I732-C790 VanDerWaalsContact CG2-O 3.25Å; I732-C790 WeakPolarHBondContact CG2-O 3.37Å; H785-C790 PolarHBondContact O-N 3.4Å; I786-C790 WeakPolarHBondContact O-CB 3.21Å; I786-C790 PolarHBondContact O-N 3.31Å; C790-R794 WeakPolarHBondContact O-CB 3.21Å; C790-Y795 WeakPolarHBondContact O-CD2 3.36Å; C790-Y795 WeakPolarHBondContact O-CE2 3.49Å
791	L	95.5	Very high	92.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.168	C	C	.	.	I	π-helix	trans	-105.9	-60.6	-178.1	-177	58	0	0	0	113.7	I732 I736 L767 L768 I771 I786 Y795 L796	I732-L791 HydrophobicContact CD1-CB 4.29Å; I736-L791 HydrophobicContact CG1-CD1 4.37Å; I736-L791 HydrophobicContact CG2-CD1 4.28Å; L767-L791 HydrophobicContact CB-CD2 4.3Å; L767-L791 HydrophobicContact CG-CD2 4.27Å; L768-L791 HydrophobicContact CB-CD2 3.77Å; L768-L791 HydrophobicContact CD1-CD2 4.41Å; I771-L791 HydrophobicContact CD1-CD2 3.79Å; I786-L791 PolarHBondContact O-N 3.39Å; I786-L791 VanDerWaalsContact O-N 3.12Å; L791-Y795 HydrophobicContact CD1-CD2 4.49Å; L791-Y795 WeakPolarHBondContact O-CB 3.35Å; L791-Y795 PolarHBondContact O-N 3.29Å; L791-L796 HydrophobicContact CG-CD1 4.24Å; L791-L796 PolarHBondContact O-N 2.82Å
792	I	94.6	Very high	92.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.14	C	C	.	.	I	π-helix	trans	-66.9	-57.9	-172.9	-70.2	160.1	0	0	0	111.4	L768 S787 L788 R794 L796 L797 I848 L852 I902	L768-I792 HydrophobicContact CD1-CD1 3.86Å; L768-I792 HydrophobicContact CD1-CG1 4.31Å; L768-I792 HydrophobicContact CD2-CD1 3.86Å; L768-I792 HydrophobicContact CD2-CG1 4.07Å; S787-I792 WeakPolarHBondContact O-CB 3.41Å; S787-I792 WeakPolarHBondContact O-CD1 3.23Å; S787-I792 VanDerWaalsContact O-CG1 3.32Å; S787-I792 WeakPolarHBondContact O-CG1 3.41Å; S787-I792 PolarHBondContact O-N 2.93Å; L788-I792 HydrophobicContact CD2-CD1 3.93Å; I792-R794 PolarHBondContact O-N 2.95Å; I792-L796 HydrophobicContact CG1-CD1 3.88Å; I792-L796 PolarHBondContact O-N 3.41Å; I792-L796 VanDerWaalsContact O-N 3.07Å; I792-L797 HydrophobicContact CG2-CD1 4.3Å; I792-L797 HydrophobicContact CG2-CD2 4.24Å; I792-L797 HydrophobicContact CG2-CG 3.86Å; I792-L797 PolarHBondContact O-N 3.43Å; I792-I848 HydrophobicContact CD1-CG2 3.84Å; I792-I848 HydrophobicContact CG1-CG2 4.04Å; I792-I848 HydrophobicContact CG2-CG2 4.23Å; I792-L852 HydrophobicContact CD1-CD1 4.39Å; I792-L852 HydrophobicContact CD1-CD2 3.93Å; I792-L852 HydrophobicContact CD1-CG 4.49Å; I792-I902 HydrophobicContact CG2-CD1 4.08Å; I792-I902 HydrophobicContact CG2-CG1 4.2Å
793	N	92.7	Very high	92.2	Very high	10 Å²	10	25 Å²	25	5%	0.053	13%	0.126	C	C	.	.	I	π-helix	trans	-68.2	-37.3	-175	-70.9	-13.2	0	0	0	112.1	L788 L797 P898	L788-N793 WeakPolarHBondContact O-CB 3.4Å; L788-N793 PolarHBondContact O-N 3.3Å; L788-N793 PolarHBondContact O-ND2 2.85Å; N793-L797 VanDerWaalsContact OD1-CD1 3.28Å; N793-L797 WeakPolarHBondContact OD1-CD1 3.4Å; N793-P898 PolarHBondContact ND2-O 3.07Å
794	R	91.8	Very high	91.7	Very high	123 Å²	123	25.4 Å²	25.4	46%	0.464	13%	0.128	S	C	.	.	I	π-helix	trans	-80.3	-28.3	-177.3	-177.7	174.4	169.8	149.5	-4.1	114.6	C790 I792 I798	C790-R794 WeakPolarHBondContact O-CB 3.21Å; I792-R794 PolarHBondContact O-N 2.95Å; R794-I798 WeakPolarHBondContact O-CD1 3.32Å
795	Y	94.3	Very high	91.2	Very high	37 Å²	37	24.8 Å²	24.8	15%	0.145	13%	0.13	C	C	.	.	I	π-helix	trans	-128.1	-57.3	-176.3	-59.1	-79.4	0	0	0	113.2	I732 I736 C790 L791 I798 G799	I732-Y795 HydrophobicContact CG2-CD2 4.22Å; I732-Y795 HydrophobicContact CG2-CE2 3.62Å; I732-Y795 WeakPolarHBondContact O-CE2 3.33Å; I732-Y795 PolarHBondContact O-OH 2.88Å; I732-Y795 VanDerWaalsContact O-OH 3.06Å; I736-Y795 HydrophobicContact CG2-CD1 4.2Å; I736-Y795 HydrophobicContact CG2-CD2 4.17Å; I736-Y795 HydrophobicContact CG2-CG 3.93Å; C790-Y795 WeakPolarHBondContact O-CD2 3.36Å; C790-Y795 WeakPolarHBondContact O-CE2 3.49Å; L791-Y795 HydrophobicContact CD1-CD2 4.49Å; L791-Y795 WeakPolarHBondContact O-CB 3.35Å; L791-Y795 PolarHBondContact O-N 3.29Å; Y795-I798 PolarHBondContact O-N 3.06Å; Y795-G799 PolarHBondContact O-N 3.49Å
796	L	94	Very high	90.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.112	C	C	.	.	I	π-helix	trans	-65.6	-47	-170.7	-64.2	169.7	0	0	0	112.6	I738 F761 L765 L768 L791 I792 I798 G799 L800 I848	I738-L796 HydrophobicContact CD1-CD2 3.88Å; F761-L796 HydrophobicContact CD2-CD2 4.03Å; F761-L796 HydrophobicContact CE1-CD2 4.33Å; F761-L796 HydrophobicContact CE2-CB 4.24Å; F761-L796 HydrophobicContact CE2-CD2 3.82Å; F761-L796 WeakPolarHBondContact CE2-O 3.39Å; F761-L796 HydrophobicContact CG-CD2 4.37Å; F761-L796 HydrophobicContact CZ-CB 4.48Å; F761-L796 HydrophobicContact CZ-CD2 3.98Å; L765-L796 HydrophobicContact CD2-CD1 4.3Å; L768-L796 HydrophobicContact CD2-CD1 4.4Å; L791-L796 HydrophobicContact CG-CD1 4.24Å; L791-L796 PolarHBondContact O-N 2.82Å; I792-L796 HydrophobicContact CG1-CD1 3.88Å; I792-L796 PolarHBondContact O-N 3.41Å; I792-L796 VanDerWaalsContact O-N 3.07Å; L796-I798 VanDerWaalsContact C-N 3.3Å; L796-I798 PolarHBondContact O-N 3.49Å; L796-G799 PolarHBondContact O-N 2.97Å; L796-L800 WeakPolarHBondContact O-CG 3.5Å; L796-L800 PolarHBondContact O-N 3.39Å; L796-I848 HydrophobicContact CB-CD1 3.86Å; L796-I848 HydrophobicContact CD1-CD1 4.26Å; L796-I848 HydrophobicContact CD1-CG1 4.39Å
797	L	92.3	Very high	89.3	Confident	13 Å²	13	21.9 Å²	21.9	7%	0.068	12%	0.118	C	C	.	.	H	α-helix	trans	-64.1	-34.8	177.2	-66.7	-172.1	0	0	0	112.3	I792 N793 G799 L800 A801 Q901 I902 F905	I792-L797 HydrophobicContact CG2-CD1 4.3Å; I792-L797 HydrophobicContact CG2-CD2 4.24Å; I792-L797 HydrophobicContact CG2-CG 3.86Å; I792-L797 PolarHBondContact O-N 3.43Å; N793-L797 VanDerWaalsContact OD1-CD1 3.28Å; N793-L797 WeakPolarHBondContact OD1-CD1 3.4Å; L797-G799 VanDerWaalsContact C-N 3.34Å; L797-L800 HydrophobicContact CD2-CD1 4.17Å; L797-L800 PolarHBondContact O-N 3.01Å; L797-A801 WeakPolarHBondContact O-CB 3.47Å; L797-A801 PolarHBondContact O-N 2.91Å; L797-Q901 HydrophobicContact CD1-CB 3.8Å; L797-I902 HydrophobicContact CD1-CG1 4.08Å; L797-F905 HydrophobicContact CD2-CB 4.45Å; L797-F905 HydrophobicContact CD2-CD1 4.26Å; L797-F905 HydrophobicContact CD2-CG 4.39Å
798	I	91.7	Very high	87.5	Confident	80 Å²	80	25.3 Å²	25.3	41%	0.41	14%	0.139	S	C	.	.	H	α-helix	trans	-67.1	-39	175.6	-48.7	-167.5	0	0	0	110.3	L740 R794 Y795 L796 A801 C802	L740-I798 HydrophobicContact CD1-CG2 4.07Å; L740-I798 HydrophobicContact CD2-CG2 3.88Å; R794-I798 WeakPolarHBondContact O-CD1 3.32Å; Y795-I798 PolarHBondContact O-N 3.06Å; L796-I798 VanDerWaalsContact C-N 3.3Å; L796-I798 PolarHBondContact O-N 3.49Å; I798-A801 PolarHBondContact O-N 2.83Å; I798-C802 PolarHBondContact O-N 3.41Å
799	G	90.2	Very high	85.3	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-61.6	-42.5	171.3	0	0	0	0	0	113.2	F757 Y795 L796 L797 C802 L803	F757-G799 WeakPolarHBondContact CZ-O 3.3Å; Y795-G799 PolarHBondContact O-N 3.49Å; L796-G799 PolarHBondContact O-N 2.97Å; L797-G799 VanDerWaalsContact C-N 3.34Å; G799-C802 VanDerWaalsContact O-CB 3.28Å; G799-C802 WeakPolarHBondContact O-CB 3.23Å; G799-C802 PolarHBondContact O-N 3.32Å; G799-L803 PolarHBondContact O-N 3.38Å; G799-L803 VanDerWaalsContact O-N 3.11Å
800	L	90.6	Very high	82.9	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-66.1	-39.2	175.5	-66.9	177.6	0	0	0	112.5	F761 L796 L797 C802 L803 L804 K844 L845 I848 F905	F761-L800 HydrophobicContact CE2-CD2 3.8Å; F761-L800 HydrophobicContact CE2-CG 3.83Å; F761-L800 HydrophobicContact CZ-CD1 4.43Å; F761-L800 HydrophobicContact CZ-CD2 3.65Å; F761-L800 HydrophobicContact CZ-CG 3.92Å; L796-L800 WeakPolarHBondContact O-CG 3.5Å; L796-L800 PolarHBondContact O-N 3.39Å; L797-L800 HydrophobicContact CD2-CD1 4.17Å; L797-L800 PolarHBondContact O-N 3.01Å; L800-C802 PolarHBondContact O-N 3.1Å; L800-L803 HydrophobicContact CD2-CD1 4.31Å; L800-L803 PolarHBondContact O-N 3.19Å; L800-L804 WeakPolarHBondContact O-CB 3.28Å; L800-L804 PolarHBondContact O-N 3.31Å; L800-K844 HydrophobicContact CD2-CB 3.61Å; L800-L845 HydrophobicContact CD1-CB 4.11Å; L800-L845 HydrophobicContact CD1-CD1 4.21Å; L800-I848 HydrophobicContact CD1-CD1 3.83Å; L800-F905 HydrophobicContact CB-CE1 3.63Å; L800-F905 HydrophobicContact CB-CE2 4.25Å; L800-F905 HydrophobicContact CB-CZ 3.44Å; L800-F905 VanDerWaalsContact CB-CZ 3.44Å; L800-F905 HydrophobicContact CD1-CD1 4.37Å; L800-F905 HydrophobicContact CD1-CE1 3.84Å; L800-F905 HydrophobicContact CG-CE1 4.35Å
801	A	88.1	Confident	79.8	Confident	40 Å²	40	41 Å²	41	33%	0.331	22%	0.218	S	C	.	.	H	α-helix	trans	-63.4	-32.1	172.9	0	0	0	0	0	112.1	L797 I798 L804 S805 F905	L797-A801 WeakPolarHBondContact O-CB 3.47Å; L797-A801 PolarHBondContact O-N 2.91Å; I798-A801 PolarHBondContact O-N 2.83Å; A801-L804 PolarHBondContact O-N 2.85Å; A801-S805 PolarHBondContact O-N 2.85Å; A801-F905 HydrophobicContact CB-CE2 4.15Å
802	C	87.2	Confident	76.5	Confident	13 Å²	13	47.6 Å²	47.6	9%	0.088	25%	0.253	C	S	.	.	H	α-helix	trans	-66	-45.2	174	-161.5	0	0	0	0	111.8	L740 I746 I798 G799 L800 S805	L740-C802 HydrophobicContact CD2-CB 3.94Å; I746-C802 HydrophobicContact CD1-CB 4.49Å; I746-C802 WeakPolarHBondContact CD1-SG 3.17Å; I798-C802 PolarHBondContact O-N 3.41Å; G799-C802 VanDerWaalsContact O-CB 3.28Å; G799-C802 WeakPolarHBondContact O-CB 3.23Å; G799-C802 PolarHBondContact O-N 3.32Å; L800-C802 PolarHBondContact O-N 3.1Å; C802-S805 WeakPolarHBondContact O-CB 3.3Å; C802-S805 PolarHBondContact O-N 2.92Å; C802-S805 PolarHBondContact O-OG 3.41Å
803	L	85.6	Confident	73.5	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-58.9	-49.7	170.2	-74.5	173.8	0	0	0	112	I746 F754 F757 G799 L800 S805 V806 D840 K844	I746-L803 HydrophobicContact CG2-CD2 3.86Å; F754-L803 HydrophobicContact CE2-CD2 3.95Å; F757-L803 HydrophobicContact CD1-CD2 4.22Å; F757-L803 HydrophobicContact CE1-CD1 3.71Å; F757-L803 HydrophobicContact CE1-CD2 3.67Å; F757-L803 HydrophobicContact CE1-CG 3.6Å; F757-L803 HydrophobicContact CZ-CD1 3.9Å; F757-L803 HydrophobicContact CZ-CD2 4.18Å; F757-L803 HydrophobicContact CZ-CG 3.65Å; G799-L803 PolarHBondContact O-N 3.38Å; G799-L803 VanDerWaalsContact O-N 3.11Å; L800-L803 HydrophobicContact CD2-CD1 4.31Å; L800-L803 PolarHBondContact O-N 3.19Å; L803-S805 PolarHBondContact O-N 2.93Å; L803-S805 VanDerWaalsContact O-N 3.14Å; L803-V806 WeakPolarHBondContact O-CB 3.41Å; L803-V806 PolarHBondContact O-N 2.92Å; L803-D840 HydrophobicContact CD1-CB 4.38Å; L803-K844 HydrophobicContact CD1-CD 4.05Å
804	L	83.7	Confident	70.5	Confident	8 Å²	8	64.5 Å²	64.5	4%	0.042	33%	0.332	C	S	.	.	H	α-helix	trans	-60.5	-26.4	-178.2	-172.5	59.8	0	0	0	112.1	L800 A801 V806 V807 F838 F905 Q908 L909	L800-L804 WeakPolarHBondContact O-CB 3.28Å; L800-L804 PolarHBondContact O-N 3.31Å; A801-L804 PolarHBondContact O-N 2.85Å; L804-V806 PolarHBondContact O-N 3.39Å; L804-V806 VanDerWaalsContact O-N 3.1Å; L804-V807 HydrophobicContact CD1-CB 4.13Å; L804-V807 HydrophobicContact CD1-CG2 3.92Å; L804-V807 WeakPolarHBondContact O-CB 3.23Å; L804-V807 PolarHBondContact O-N 2.98Å; L804-F838 HydrophobicContact CD1-CD2 4.29Å; L804-F905 HydrophobicContact CD2-CE2 4.05Å; L804-F905 HydrophobicContact CD2-CZ 4.23Å; L804-Q908 HydrophobicContact CD2-CG 4.04Å; L804-L909 HydrophobicContact CD1-CD2 3.65Å; L804-L909 HydrophobicContact CD2-CD2 3.82Å; L804-L909 HydrophobicContact CG-CD2 4.3Å
805	S	81.5	Confident	67.5	Low	35 Å²	35	68.6 Å²	68.6	25%	0.245	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-22.2	176.2	84.2	0	0	0	0	113.9	K743 A801 C802 L803 V807	K743-S805 WeakPolarHBondContact CD-O 3.33Å; K743-S805 WeakPolarHBondContact CE-O 3.36Å; K743-S805 PolarHBondContact NZ-O 2.84Å; A801-S805 PolarHBondContact O-N 2.85Å; C802-S805 WeakPolarHBondContact O-CB 3.3Å; C802-S805 PolarHBondContact O-N 2.92Å; C802-S805 PolarHBondContact O-OG 3.41Å; L803-S805 PolarHBondContact O-N 2.93Å; L803-S805 VanDerWaalsContact O-N 3.14Å; S805-V807 VanDerWaalsContact C-N 3.31Å
806	V	77.3	Confident	64.6	Low	4 Å²	4	72.1 Å²	72.1	2%	0.024	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-25	174.2	173.4	0	0	0	0	112.5	I746 Q747 L803 L804 T808 A837	I746-V806 HydrophobicContact CB-CG2 3.74Å; I746-V806 HydrophobicContact CG2-CG2 3.64Å; Q747-V806 HydrophobicContact CG-CB 4.5Å; Q747-V806 HydrophobicContact CG-CG1 3.47Å; Q747-V806 VanDerWaalsContact CG-CG1 3.47Å; Q747-V806 HydrophobicContact CG-CG2 4.29Å; L803-V806 WeakPolarHBondContact O-CB 3.41Å; L803-V806 PolarHBondContact O-N 2.92Å; L804-V806 PolarHBondContact O-N 3.39Å; L804-V806 VanDerWaalsContact O-N 3.1Å; V806-T808 PolarHBondContact O-N 2.85Å; V806-A837 HydrophobicContact CB-CB 4.01Å; V806-A837 HydrophobicContact CG1-CB 3.9Å
807	V	69.8	Low	61.5	Low	21 Å²	21	79.9 Å²	79.9	13%	0.127	42%	0.424	C	S	.	.			trans	-77.7	85.7	177.6	-171.7	0	0	0	0	108.5	L804 S805 A837 F838	L804-V807 HydrophobicContact CD1-CB 4.13Å; L804-V807 HydrophobicContact CD1-CG2 3.92Å; L804-V807 WeakPolarHBondContact O-CB 3.23Å; L804-V807 PolarHBondContact O-N 2.98Å; S805-V807 VanDerWaalsContact C-N 3.31Å; V807-A837 HydrophobicContact CG2-CB 4.37Å; V807-F838 HydrophobicContact CG2-CB 3.99Å
808	T	58.5	Low	58.8	Low	71 Å²	71	85.4 Å²	85.4	44%	0.436	46%	0.459	S	S	.	.			trans	-111.7	113.1	176.2	52	0	0	0	0	112.4	K743 V806 K810	K743-T808 HydrophobicContact CD-CG2 4.16Å; V806-T808 PolarHBondContact O-N 2.85Å; T808-K810 PolarHBondContact O-N 3.32Å
809	L	45.8	Very low	56	Low	104 Å²	104	87.6 Å²	87.6	55%	0.545	48%	0.478	S	S	.	.			trans	-64	123.1	159.4	-58.1	169.4	0	0	0	108.9	P915	L809-P915 HydrophobicContact CD2-CG 4.06Å
810	K	41.2	Very low	53.2	Low	197 Å²	197	96 Å²	96	86%	0.857	52%	0.52	S	S	*	.			trans	-133.2	72.4	166.8	-84.6	-159.2	172.1	-163.7	0	110.7	T808	T808-K810 PolarHBondContact O-N 3.32Å
811	S	28.5	Very low	50.3	Low	105 Å²	105	104.1 Å²	104.1	73%	0.734	56%	0.563	S	S	*	*			trans	-87.5	97.7	151.9	53.5	0	0	0	0	108.3
812	N	27.8	Very low	47.6	Very low	139 Å²	139	107 Å²	107	74%	0.743	58%	0.58	S	S	*	*			trans	170.1	131.9	147	-87.9	-2	0	0	0	109.2
813	E	30.1	Very low	45	Very low	178 Å²	178	112 Å²	112	83%	0.832	61%	0.613	S	S	*	*			trans	51.5	116	150.1	-52.8	177.3	154.2	0	0	117.6
814	E	30.8	Very low	42.4	Very low	187 Å²	187	121 Å²	121	87%	0.874	65%	0.652	S	S	*	*			cis	-158.5	158.7	49.1	-77.6	-177.9	135.1	0	0	113.2	S816	E814-S816 PolarHBondContact O-N 3.3Å
815	K	28.8	Very low	39.8	Very low	208 Å²	208	126.8 Å²	126.8	90%	0.904	69%	0.691	S	S	*	*			trans	-77.5	115.6	171.1	-64.7	170.1	-179.2	170.4	0	111
816	S	32.8	Very low	37.4	Very low	112 Å²	112	133.2 Å²	133.2	78%	0.783	72%	0.721	S	S	*	*			trans	-129.4	120.4	156.9	54.5	0	0	0	0	110.6	E814	E814-S816 PolarHBondContact O-N 3.3Å
817	N	28.9	Very low	35.2	Very low	163 Å²	163	136.5 Å²	136.5	87%	0.872	76%	0.755	S	S	*	*			trans	-83.3	125	-179.7	-65.2	-39.6	0	0	0	109.6
818	T	35.9	Very low	33.7	Very low	128 Å²	128	140.7 Å²	140.7	79%	0.785	78%	0.776	S	S	*	*			trans	-144.7	130.4	159.2	-40.8	0	0	0	0	108.4
819	P	34	Very low	33.1	Very low	127 Å²	127	140.5 Å²	140.5	83%	0.825	78%	0.778	S	S	*	*			trans	-78	143.2	-168	29.6	-35	0	0	0	113.7
820	M	29.9	Very low	33.3	Very low	177 Å²	177	142.5 Å²	142.5	87%	0.872	79%	0.787	S	S	*	*			trans	-53.1	131.2	167.8	-82.2	-82.9	-159.2	0	0	112.3
821	N	30.1	Very low	33.9	Very low	170 Å²	170	136.9 Å²	136.9	91%	0.909	77%	0.766	S	S	*	*			trans	-170.1	81.7	149.2	-100.1	-22.2	0	0	0	112.4
822	S	32.5	Very low	35.8	Very low	99 Å²	99	135 Å²	135	69%	0.692	75%	0.746	S	S	*	*			trans	-159.1	126.8	155.1	67.9	0	0	0	0	111.2	F824	S822-F824 PolarHBondContact O-N 3.49Å
823	P	32.4	Very low	37.8	Very low	118 Å²	118	129 Å²	129	77%	0.766	72%	0.715	S	S	*	*			trans	-94.6	88.6	-174.4	35.4	-33.2	0	0	0	113.1
824	F	29.5	Very low	39.9	Very low	189 Å²	189	121.2 Å²	121.2	83%	0.829	68%	0.683	S	S	*	*			trans	-147.1	96.5	166.6	-75.2	-71.8	0	0	0	112	S822 I826	S822-F824 PolarHBondContact O-N 3.49Å; F824-I826 PolarHBondContact O-N 2.9Å
825	P	30.5	Very low	42.1	Very low	131 Å²	131	113 Å²	113	85%	0.851	65%	0.646	S	S	*	*			trans	-93.4	81.6	176.9	35.2	-30.9	0	0	0	111.3
826	I	31.2	Very low	44.5	Very low	170 Å²	170	105 Å²	105	87%	0.872	61%	0.613	S	S	*	*			trans	-130.8	73.8	164.9	-48.9	178.9	0	0	0	108.6	F824	F824-I826 PolarHBondContact O-N 2.9Å
827	G	29.6	Very low	46.9	Very low	72 Å²	72	99.8 Å²	99.8	74%	0.742	58%	0.577	S	S	*	*	S	Bend	trans	-160.9	127.2	175.7	0	0	0	0	0	110
828	L	39.2	Very low	49.5	Very low	110 Å²	110	92.1 Å²	92.1	58%	0.576	54%	0.536	S	S	*	.			trans	-60.9	139.3	168.7	-69.2	168	0	0	0	108.5	Q832 L836	L828-Q832 HydrophobicContact CB-CB 4.37Å; L828-L836 HydrophobicContact CD1-CD1 4.44Å
829	S	45.2	Very low	51.9	Low	67 Å²	67	89.8 Å²	89.8	47%	0.469	51%	0.512	S	S	.	.			trans	-59.9	147.6	173.4	-176.5	0	0	0	0	109.8	D831 Q832 S833	S829-D831 PolarHBondContact O-N 3.12Å; S829-D831 VanDerWaalsContact O-N 3.16Å; S829-Q832 VanDerWaalsContact N-OE1 3.11Å; S829-Q832 WeakPolarHBondContact O-CB 3.15Å; S829-Q832 PolarHBondContact O-N 2.99Å; S829-S833 PolarHBondContact O-N 3.44Å
830	I	49.8	Very low	54.4	Low	145 Å²	145	84.7 Å²	84.7	74%	0.744	48%	0.478	S	S	*	.	H	α-helix	trans	-53.1	-40.4	-179	-66	171.6	0	0	0	110.7	Q832 S833 G834	I830-Q832 VanDerWaalsContact C-N 3.33Å; I830-Q832 PolarHBondContact O-N 3.01Å; I830-S833 PolarHBondContact O-N 2.96Å; I830-G834 PolarHBondContact O-N 3.4Å
831	D	54.6	Low	57.2	Low	79 Å²	79	76.3 Å²	76.3	42%	0.422	44%	0.437	S	S	.	.	H	α-helix	trans	-51.5	-46.2	172.5	-70.9	12.5	0	0	0	112.8	S829 G834 S835 R917	S829-D831 PolarHBondContact O-N 3.12Å; S829-D831 VanDerWaalsContact O-N 3.16Å; D831-G834 PolarHBondContact O-N 3.41Å; D831-S835 PolarHBondContact O-N 3.21Å; D831-R917 IonicContact OD2-CZ 3.81Å; D831-R917 IonicContact OD2-NH1 3.93Å; D831-R917 IonicContact OD2-NH2 2.83Å; D831-R917 PolarHBondContact OD2-NH2 2.78Å
832	Q	67.3	Low	60	Low	65 Å²	65	68.2 Å²	68.2	30%	0.304	39%	0.394	S	S	.	.	H	α-helix	trans	-68.6	-37.8	-176	-69.3	170.7	-23.9	0	0	111.6	L828 S829 I830 G834 L836 I929	L828-Q832 HydrophobicContact CB-CB 4.37Å; S829-Q832 VanDerWaalsContact N-OE1 3.11Å; S829-Q832 WeakPolarHBondContact O-CB 3.15Å; S829-Q832 PolarHBondContact O-N 2.99Å; I830-Q832 VanDerWaalsContact C-N 3.33Å; I830-Q832 PolarHBondContact O-N 3.01Å; Q832-G834 VanDerWaalsContact C-N 3.29Å; Q832-G834 PolarHBondContact O-N 2.94Å; Q832-L836 WeakPolarHBondContact O-CB 3.46Å; Q832-L836 WeakPolarHBondContact O-CD1 3.42Å; Q832-L836 WeakPolarHBondContact O-CG 3.29Å; Q832-L836 PolarHBondContact O-N 3.45Å; Q832-L836 VanDerWaalsContact O-N 3.1Å; Q832-I929 HydrophobicContact CG-CD1 3.95Å
833	S	70.1	Confident	62.7	Low	13 Å²	13	67.8 Å²	67.8	9%	0.091	38%	0.381	C	S	.	.	H	α-helix	trans	-65.7	-33.9	177.8	-173.5	0	0	0	0	112.3	S829 I830 A837	S829-S833 PolarHBondContact O-N 3.44Å; I830-S833 PolarHBondContact O-N 2.96Å; S833-A837 WeakPolarHBondContact O-CB 3.38Å; S833-A837 PolarHBondContact O-N 3.17Å; S833-A837 VanDerWaalsContact O-N 3.14Å
834	G	74.9	Confident	65.5	Low	15 Å²	15	63 Å²	63	16%	0.155	35%	0.348	C	S	.	.	H	α-helix	trans	-66.9	-57.2	176.7	0	0	0	0	0	112.1	I830 D831 Q832 L836 A837 F838	I830-G834 PolarHBondContact O-N 3.4Å; D831-G834 PolarHBondContact O-N 3.41Å; Q832-G834 VanDerWaalsContact C-N 3.29Å; Q832-G834 PolarHBondContact O-N 2.94Å; G834-L836 VanDerWaalsContact C-N 3.27Å; G834-L836 PolarHBondContact O-N 3.01Å; G834-A837 PolarHBondContact O-N 2.88Å; G834-F838 PolarHBondContact O-N 3.14Å
835	S	75.9	Confident	68.4	Low	14 Å²	14	54.1 Å²	54.1	10%	0.098	31%	0.309	C	S	.	.	H	α-helix	trans	-62.3	-32.7	-178.9	-55.6	0	0	0	0	112.5	D831 R839 E933	D831-S835 PolarHBondContact O-N 3.21Å; S835-R839 WeakPolarHBondContact O-CB 3.45Å; S835-R839 PolarHBondContact O-N 2.9Å; S835-E933 PolarHBondContact OG-OE1 3.44Å
836	L	80.2	Confident	71.3	Confident	41 Å²	41	50.8 Å²	50.8	22%	0.215	28%	0.281	C	S	.	.	H	α-helix	trans	-68.7	-38.3	171.8	-69.1	171.6	0	0	0	112.8	R749 L828 Q832 G834 F838 R839 D840 I932	R749-L836 VanDerWaalsContact CZ-CB 3.5Å; R749-L836 PolarHBondContact NH2-O 3.42Å; R749-L836 VanDerWaalsContact NH2-O 3.16Å; L828-L836 HydrophobicContact CD1-CD1 4.44Å; Q832-L836 WeakPolarHBondContact O-CB 3.46Å; Q832-L836 WeakPolarHBondContact O-CD1 3.42Å; Q832-L836 WeakPolarHBondContact O-CG 3.29Å; Q832-L836 PolarHBondContact O-N 3.45Å; Q832-L836 VanDerWaalsContact O-N 3.1Å; G834-L836 VanDerWaalsContact C-N 3.27Å; G834-L836 PolarHBondContact O-N 3.01Å; L836-F838 VanDerWaalsContact C-N 3.34Å; L836-R839 WeakPolarHBondContact O-CB 3.47Å; L836-R839 PolarHBondContact O-N 3.07Å; L836-D840 VanDerWaalsContact O-CG 3.3Å; L836-D840 PolarHBondContact O-N 3.03Å; L836-I932 HydrophobicContact CD2-CD1 4.36Å
837	A	82.9	Confident	74.2	Confident	3 Å²	3	45 Å²	45	3%	0.025	26%	0.256	C	S	.	.	H	α-helix	trans	-68.4	-35.9	177.8	0	0	0	0	0	111.6	R749 V806 V807 S833 G834 D840 A841	R749-A837 VanDerWaalsContact NH2-CA 3.32Å; V806-A837 HydrophobicContact CB-CB 4.01Å; V806-A837 HydrophobicContact CG1-CB 3.9Å; V807-A837 HydrophobicContact CG2-CB 4.37Å; S833-A837 WeakPolarHBondContact O-CB 3.38Å; S833-A837 PolarHBondContact O-N 3.17Å; S833-A837 VanDerWaalsContact O-N 3.14Å; G834-A837 PolarHBondContact O-N 2.88Å; A837-D840 PolarHBondContact O-N 2.92Å; A837-A841 WeakPolarHBondContact O-CB 3.49Å; A837-A841 PolarHBondContact O-N 3.36Å; A837-A841 VanDerWaalsContact O-N 3.07Å
838	F	84.3	Confident	77.1	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.009	22%	0.22	C	C	.	.	H	α-helix	trans	-60.8	-48.6	169.2	-174.5	-105.1	0	0	0	111.3	L804 V807 G834 L836 D840 A841 V842 L909 C936 L940	L804-F838 HydrophobicContact CD1-CD2 4.29Å; V807-F838 HydrophobicContact CG2-CB 3.99Å; G834-F838 PolarHBondContact O-N 3.14Å; L836-F838 VanDerWaalsContact C-N 3.34Å; F838-D840 PolarHBondContact O-N 3.24Å; F838-A841 PolarHBondContact O-N 3.02Å; F838-V842 HydrophobicContact CD1-CG2 4.26Å; F838-V842 HydrophobicContact CE1-CG2 4.02Å; F838-V842 HydrophobicContact CE2-CG2 4.46Å; F838-V842 HydrophobicContact CZ-CG2 4.14Å; F838-V842 WeakPolarHBondContact O-CG2 3.46Å; F838-V842 PolarHBondContact O-N 2.99Å; F838-L909 HydrophobicContact CD2-CD2 4.27Å; F838-L909 HydrophobicContact CE2-CD2 4.03Å; F838-C936 HydrophobicContact CD1-CB 4.09Å; F838-C936 HydrophobicContact CE1-CB 3.7Å; F838-L940 HydrophobicContact CE1-CD1 4.29Å; F838-L940 HydrophobicContact CZ-CD1 3.68Å
839	R	85.5	Confident	79.6	Confident	78 Å²	78	36.5 Å²	36.5	29%	0.294	19%	0.194	S	C	.	.	H	α-helix	trans	-54.3	-48.8	175.2	-177.3	-168.9	178.6	174.3	6.8	112.2	S835 L836 A841 V842 Q843 I932	S835-R839 WeakPolarHBondContact O-CB 3.45Å; S835-R839 PolarHBondContact O-N 2.9Å; L836-R839 WeakPolarHBondContact O-CB 3.47Å; L836-R839 PolarHBondContact O-N 3.07Å; R839-A841 VanDerWaalsContact C-N 3.33Å; R839-A841 PolarHBondContact O-N 3.25Å; R839-V842 PolarHBondContact O-N 3.16Å; R839-Q843 HydrophobicContact CG-CG 4.33Å; R839-Q843 WeakPolarHBondContact O-CB 3.5Å; R839-Q843 WeakPolarHBondContact O-CG 3.32Å; R839-Q843 PolarHBondContact O-N 3.1Å; R839-I932 HydrophobicContact CB-CG2 3.86Å; R839-I932 HydrophobicContact CG-CG2 4.02Å
840	D	86.8	Confident	81.7	Confident	21 Å²	21	37.8 Å²	37.8	11%	0.112	20%	0.196	C	C	.	.	H	α-helix	trans	-61.6	-42.4	178.9	-61.6	-23.4	0	0	0	111.7	R749 L803 L836 A837 F838 Q843 K844	R749-D840 IonicContact CZ-OD2 3.9Å; R749-D840 IonicContact NH1-OD1 2.69Å; R749-D840 PolarHBondContact NH1-OD1 3.11Å; R749-D840 IonicContact NH1-OD2 2.91Å; R749-D840 PolarHBondContact NH1-OD2 3.01Å; R749-D840 IonicContact NH2-OD2 3.69Å; R749-D840 PolarHBondContact NH2-OD2 2.87Å; L803-D840 HydrophobicContact CD1-CB 4.38Å; L836-D840 VanDerWaalsContact O-CG 3.3Å; L836-D840 PolarHBondContact O-N 3.03Å; A837-D840 PolarHBondContact O-N 2.92Å; F838-D840 PolarHBondContact O-N 3.24Å; D840-Q843 PolarHBondContact O-N 3.39Å; D840-K844 VanDerWaalsContact O-CB 3.23Å; D840-K844 WeakPolarHBondContact O-CB 3.48Å; D840-K844 VanDerWaalsContact O-CG 3.3Å; D840-K844 WeakPolarHBondContact O-CG 3.39Å; D840-K844 PolarHBondContact O-N 3.11Å
841	A	88	Confident	83.6	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.2	-41.9	178.7	0	0	0	0	0	111.5	A837 F838 R839 L845 L909	A837-A841 WeakPolarHBondContact O-CB 3.49Å; A837-A841 PolarHBondContact O-N 3.36Å; A837-A841 VanDerWaalsContact O-N 3.07Å; F838-A841 PolarHBondContact O-N 3.02Å; R839-A841 VanDerWaalsContact C-N 3.33Å; R839-A841 PolarHBondContact O-N 3.25Å; A841-L845 VanDerWaalsContact O-CB 3.23Å; A841-L845 WeakPolarHBondContact O-CB 3.44Å; A841-L845 PolarHBondContact O-N 2.97Å; A841-L909 HydrophobicContact CB-CD2 4.34Å
842	V	88.7	Confident	85.3	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.006	16%	0.157	C	C	.	.	H	α-helix	trans	-66.1	-46.1	175.1	175.2	0	0	0	0	111.3	F838 R839 L845 K846 L909 C936 T939 L940	F838-V842 HydrophobicContact CD1-CG2 4.26Å; F838-V842 HydrophobicContact CE1-CG2 4.02Å; F838-V842 HydrophobicContact CE2-CG2 4.46Å; F838-V842 HydrophobicContact CZ-CG2 4.14Å; F838-V842 WeakPolarHBondContact O-CG2 3.46Å; F838-V842 PolarHBondContact O-N 2.99Å; R839-V842 PolarHBondContact O-N 3.16Å; V842-L845 PolarHBondContact O-N 2.93Å; V842-K846 WeakPolarHBondContact O-CB 3.48Å; V842-K846 PolarHBondContact O-N 2.98Å; V842-L909 HydrophobicContact CG2-CD1 4.41Å; V842-C936 HydrophobicContact CB-CB 4.5Å; V842-C936 HydrophobicContact CG1-CB 4.29Å; V842-C936 HydrophobicContact CG2-CB 4.25Å; V842-T939 HydrophobicContact CG1-CG2 3.78Å; V842-L940 HydrophobicContact CG1-CD2 4.37Å; V842-L940 HydrophobicContact CG1-CG 4.11Å; V842-L940 HydrophobicContact CG2-CD1 3.94Å; V842-L940 HydrophobicContact CG2-CD2 4.08Å; V842-L940 HydrophobicContact CG2-CG 3.98Å
843	Q	90	Very high	86.2	Confident	89 Å²	89	28.7 Å²	28.7	42%	0.416	15%	0.152	S	C	.	.	H	α-helix	trans	-65.3	-42.4	179	-74.6	-174.8	-18.9	0	0	112.5	R839 D840 K846 S847	R839-Q843 HydrophobicContact CG-CG 4.33Å; R839-Q843 WeakPolarHBondContact O-CB 3.5Å; R839-Q843 WeakPolarHBondContact O-CG 3.32Å; R839-Q843 PolarHBondContact O-N 3.1Å; D840-Q843 PolarHBondContact O-N 3.39Å; Q843-K846 WeakPolarHBondContact O-CB 3.35Å; Q843-K846 PolarHBondContact O-N 3.17Å; Q843-S847 PolarHBondContact O-N 2.79Å; Q843-S847 PolarHBondContact O-OG 3.11Å
844	K	91.3	Very high	86.8	Confident	19 Å²	19	35.8 Å²	35.8	8%	0.083	18%	0.177	C	C	.	.	H	α-helix	trans	-71.1	-35.5	177.3	-70.9	178.7	-168.7	-65.3	0	111.7	E758 F761 N762 L800 L803 D840 S847 I848	E758-K844 IonicContact OE1-NZ 2.68Å; E758-K844 PolarHBondContact OE1-NZ 3.3Å; F761-K844 HydrophobicContact CD1-CD 3.77Å; F761-K844 HydrophobicContact CD1-CG 4.26Å; F761-K844 HydrophobicContact CE1-CB 3.63Å; F761-K844 HydrophobicContact CE1-CD 3.75Å; F761-K844 HydrophobicContact CE1-CG 3.84Å; F761-K844 HydrophobicContact CG-CD 4.31Å; F761-K844 HydrophobicContact CZ-CB 3.85Å; F761-K844 HydrophobicContact CZ-CD 4.28Å; F761-K844 HydrophobicContact CZ-CG 4.46Å; N762-K844 PolarHBondContact OD1-NZ 2.98Å; L800-K844 HydrophobicContact CD2-CB 3.61Å; L803-K844 HydrophobicContact CD1-CD 4.05Å; D840-K844 VanDerWaalsContact O-CB 3.23Å; D840-K844 WeakPolarHBondContact O-CB 3.48Å; D840-K844 VanDerWaalsContact O-CG 3.3Å; D840-K844 WeakPolarHBondContact O-CG 3.39Å; D840-K844 PolarHBondContact O-N 3.11Å; K844-S847 WeakPolarHBondContact O-CB 3.24Å; K844-S847 PolarHBondContact O-N 3.16Å; K844-I848 WeakPolarHBondContact O-CG1 3.41Å; K844-I848 PolarHBondContact O-N 3.29Å; K844-I848 VanDerWaalsContact O-N 3.09Å
845	L	91.1	Very high	87.1	Confident	1 Å²	1	41 Å²	41	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-63.2	-44.8	169.2	-179.6	62.9	0	0	0	111.3	L800 A841 V842 S847 I848 V849 I902 F905 L906 L909 L943	L800-L845 HydrophobicContact CD1-CB 4.11Å; L800-L845 HydrophobicContact CD1-CD1 4.21Å; A841-L845 VanDerWaalsContact O-CB 3.23Å; A841-L845 WeakPolarHBondContact O-CB 3.44Å; A841-L845 PolarHBondContact O-N 2.97Å; V842-L845 PolarHBondContact O-N 2.93Å; L845-S847 VanDerWaalsContact C-N 3.28Å; L845-S847 PolarHBondContact O-N 3.17Å; L845-I848 WeakPolarHBondContact O-CB 3.12Å; L845-I848 PolarHBondContact O-N 3.2Å; L845-I848 VanDerWaalsContact O-N 3.1Å; L845-V849 HydrophobicContact CD1-CG2 4.41Å; L845-V849 PolarHBondContact O-N 3.02Å; L845-I902 HydrophobicContact CD1-CG2 4.35Å; L845-F905 HydrophobicContact CD1-CD1 4.26Å; L845-F905 HydrophobicContact CD2-CD1 4.13Å; L845-F905 HydrophobicContact CD2-CE1 4.44Å; L845-L906 HydrophobicContact CD2-CD1 3.87Å; L845-L909 HydrophobicContact CD2-CD1 3.52Å; L845-L943 HydrophobicContact CD2-CD1 4.37Å; L845-L943 HydrophobicContact CG-CD1 4.34Å
846	K	90.3	Very high	87.4	Confident	61 Å²	61	40.9 Å²	40.9	27%	0.265	19%	0.194	S	C	.	.	H	α-helix	trans	-56.3	-44.5	173.9	-166.3	-159.1	-178.6	-58.7	0	110.7	V842 Q843 I848 V849 D850 T939 L943	V842-K846 WeakPolarHBondContact O-CB 3.48Å; V842-K846 PolarHBondContact O-N 2.98Å; Q843-K846 WeakPolarHBondContact O-CB 3.35Å; Q843-K846 PolarHBondContact O-N 3.17Å; K846-I848 VanDerWaalsContact C-N 3.32Å; K846-I848 PolarHBondContact O-N 3.31Å; K846-V849 PolarHBondContact O-N 3.4Å; K846-D850 IonicContact NZ-OD1 2.7Å; K846-D850 PolarHBondContact NZ-OD1 3.1Å; K846-D850 IonicContact NZ-OD2 3.16Å; K846-D850 PolarHBondContact NZ-OD2 3.29Å; K846-D850 VanDerWaalsContact O-CB 3.31Å; K846-D850 WeakPolarHBondContact O-CB 3.34Å; K846-D850 PolarHBondContact O-N 2.9Å; K846-T939 HydrophobicContact CB-CG2 4.06Å; K846-T939 HydrophobicContact CD-CG2 3.84Å; K846-T939 HydrophobicContact CG-CG2 3.92Å; K846-L943 HydrophobicContact CB-CD1 4.23Å; K846-L943 HydrophobicContact CG-CD2 4.37Å
847	S	91.6	Very high	87.1	Confident	48 Å²	48	39.3 Å²	39.3	34%	0.336	19%	0.186	S	C	.	.	H	α-helix	trans	-61.3	-35	175.9	-58.9	0	0	0	0	113.6	Q843 K844 L845 L851	Q843-S847 PolarHBondContact O-N 2.79Å; Q843-S847 PolarHBondContact O-OG 3.11Å; K844-S847 WeakPolarHBondContact O-CB 3.24Å; K844-S847 PolarHBondContact O-N 3.16Å; L845-S847 VanDerWaalsContact C-N 3.28Å; L845-S847 PolarHBondContact O-N 3.17Å; S847-L851 WeakPolarHBondContact O-CD1 3.36Å; S847-L851 VanDerWaalsContact O-CG 3.28Å; S847-L851 WeakPolarHBondContact O-CG 3.21Å; S847-L851 PolarHBondContact O-N 2.99Å
848	I	92	Very high	86.3	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-66.2	-49.5	172.6	-64.7	171.2	0	0	0	110.1	F761 L765 L768 I792 L796 L800 K844 L845 K846 L851 L852	F761-I848 HydrophobicContact CZ-CD1 4.2Å; L765-I848 HydrophobicContact CD2-CG1 3.59Å; L768-I848 HydrophobicContact CD2-CG2 4.28Å; I792-I848 HydrophobicContact CD1-CG2 3.84Å; I792-I848 HydrophobicContact CG1-CG2 4.04Å; I792-I848 HydrophobicContact CG2-CG2 4.23Å; L796-I848 HydrophobicContact CB-CD1 3.86Å; L796-I848 HydrophobicContact CD1-CD1 4.26Å; L796-I848 HydrophobicContact CD1-CG1 4.39Å; L800-I848 HydrophobicContact CD1-CD1 3.83Å; K844-I848 WeakPolarHBondContact O-CG1 3.41Å; K844-I848 PolarHBondContact O-N 3.29Å; K844-I848 VanDerWaalsContact O-N 3.09Å; L845-I848 WeakPolarHBondContact O-CB 3.12Å; L845-I848 PolarHBondContact O-N 3.2Å; L845-I848 VanDerWaalsContact O-N 3.1Å; K846-I848 VanDerWaalsContact C-N 3.32Å; K846-I848 PolarHBondContact O-N 3.31Å; I848-L851 PolarHBondContact O-N 2.68Å; I848-L852 HydrophobicContact CG2-CD1 4.43Å; I848-L852 WeakPolarHBondContact O-CG 3.45Å; I848-L852 PolarHBondContact O-N 2.69Å
849	V	90.2	Very high	84.8	Confident	5 Å²	5	47.5 Å²	47.5	3%	0.03	23%	0.231	C	C	.	.	H	α-helix	trans	-70.3	-35.8	-175.6	178.9	0	0	0	0	112.3	L845 K846 L851 L852 L857 I902 L943	L845-V849 HydrophobicContact CD1-CG2 4.41Å; L845-V849 PolarHBondContact O-N 3.02Å; K846-V849 PolarHBondContact O-N 3.4Å; V849-L851 PolarHBondContact O-N 3.16Å; V849-L852 PolarHBondContact O-N 2.98Å; V849-L857 HydrophobicContact CG1-CD1 4.07Å; V849-L857 HydrophobicContact CG1-CD2 4.44Å; V849-I902 HydrophobicContact CG2-CG2 4.4Å; V849-L943 HydrophobicContact CB-CD2 3.67Å; V849-L943 HydrophobicContact CG1-CD2 3.66Å; V849-L943 HydrophobicContact CG2-CD2 4.07Å
850	D	89.4	Confident	82.5	Confident	94 Å²	94	48.6 Å²	48.6	50%	0.503	25%	0.25	S	C	.	.	H	α-helix	trans	-63.1	-29.5	174.7	-72.3	-23.8	0	0	0	112.4	K846	K846-D850 IonicContact NZ-OD1 2.7Å; K846-D850 PolarHBondContact NZ-OD1 3.1Å; K846-D850 IonicContact NZ-OD2 3.16Å; K846-D850 PolarHBondContact NZ-OD2 3.29Å; K846-D850 VanDerWaalsContact O-CB 3.31Å; K846-D850 WeakPolarHBondContact O-CB 3.34Å; K846-D850 PolarHBondContact O-N 2.9Å
851	L	90.3	Very high	79.9	Confident	60 Å²	60	54.3 Å²	54.3	31%	0.314	28%	0.279	S	S	.	.	H	α-helix	trans	-77.1	-31.6	175.2	-74.2	170.3	0	0	0	112.2	L765 L768 K769 L772 S847 I848 V849	L765-L851 HydrophobicContact CD2-CD1 4.46Å; L768-L851 HydrophobicContact CD2-CB 4.36Å; L768-L851 HydrophobicContact CD2-CD1 4.03Å; L768-L851 HydrophobicContact CG-CD1 4.37Å; K769-L851 HydrophobicContact CB-CD2 4.23Å; K769-L851 HydrophobicContact CG-CD2 4.21Å; L772-L851 HydrophobicContact CD1-CB 4.13Å; L772-L851 VanDerWaalsContact CD1-O 3.29Å; L772-L851 WeakPolarHBondContact CD1-O 3.47Å; S847-L851 WeakPolarHBondContact O-CD1 3.36Å; S847-L851 VanDerWaalsContact O-CG 3.28Å; S847-L851 WeakPolarHBondContact O-CG 3.21Å; S847-L851 PolarHBondContact O-N 2.99Å; I848-L851 PolarHBondContact O-N 2.68Å; V849-L851 PolarHBondContact O-N 3.16Å
852	L	90.1	Very high	77.1	Confident	8 Å²	8	60.3 Å²	60.3	4%	0.042	32%	0.316	C	S	.	.	S	Bend	trans	-70.2	139.1	-175.1	-70.8	175.2	0	0	0	112.2	L788 I792 I848 V849 R854 W856 L857 I902	L788-L852 HydrophobicContact CD2-CD1 3.97Å; L788-L852 HydrophobicContact CD2-CD2 3.91Å; I792-L852 HydrophobicContact CD1-CD1 4.39Å; I792-L852 HydrophobicContact CD1-CD2 3.93Å; I792-L852 HydrophobicContact CD1-CG 4.49Å; I848-L852 HydrophobicContact CG2-CD1 4.43Å; I848-L852 WeakPolarHBondContact O-CG 3.45Å; I848-L852 PolarHBondContact O-N 2.69Å; V849-L852 PolarHBondContact O-N 2.98Å; L852-R854 PolarHBondContact O-N 3.07Å; L852-W856 HydrophobicContact CD2-CE3 3.91Å; L852-W856 HydrophobicContact CD2-CZ3 3.77Å; L852-L857 HydrophobicContact CD1-CD2 4.46Å; L852-I902 HydrophobicContact CD1-CD1 4.02Å
853	P	87.1	Confident	74.2	Confident	29 Å²	29	64.7 Å²	64.7	19%	0.188	35%	0.346	C	S	.	.			trans	-57.9	131.6	174.1	-26.6	36.8	0	0	0	112.1	L772 I775 E855 W856	L772-P853 HydrophobicContact CD2-CG 4.42Å; I775-P853 HydrophobicContact CD1-CG 3.51Å; I775-P853 HydrophobicContact CG1-CG 4.35Å; P853-E855 PolarHBondContact O-N 3.14Å; P853-E855 VanDerWaalsContact O-N 3.15Å; P853-W856 HydrophobicContact CB-CD2 4.29Å; P853-W856 HydrophobicContact CB-CG 4.2Å; P853-W856 HydrophobicContact CG-CD2 4.07Å; P853-W856 HydrophobicContact CG-CE3 4.41Å; P853-W856 HydrophobicContact CG-CG 4.5Å; P853-W856 HydrophobicContact CG-CZ2 4.2Å; P853-W856 WeakPolarHBondContact O-CB 3.18Å; P853-W856 PolarHBondContact O-N 3.29Å
854	R	82.5	Confident	71.3	Confident	163 Å²	163	66.6 Å²	66.6	62%	0.615	36%	0.364	S	S	*	.	H	α-helix	trans	-57	-32.6	-179.9	-65.6	-176.3	-179.3	-80.8	-3.6	113.1	L852 W856 L857	L852-R854 PolarHBondContact O-N 3.07Å; R854-W856 PolarHBondContact O-N 3.17Å; R854-L857 PolarHBondContact O-N 3.02Å; R854-L857 VanDerWaalsContact O-N 3.12Å
855	E	81	Confident	68.5	Low	124 Å²	124	73.7 Å²	73.7	58%	0.579	40%	0.395	S	S	*	.	H	α-helix	trans	-69.9	-11.9	178.1	-53.2	-48.5	131.7	0	0	114	P853 K858	P853-E855 PolarHBondContact O-N 3.14Å; P853-E855 VanDerWaalsContact O-N 3.15Å; E855-K858 IonicContact OE1-NZ 3.88Å; E855-K858 PolarHBondContact OE1-NZ 2.98Å; E855-K858 WeakPolarHBondContact OE2-CE 3.28Å; E855-K858 IonicContact OE2-NZ 3.19Å; E855-K858 PolarHBondContact OE2-NZ 2.94Å
856	W	82.4	Confident	65.7	Low	11 Å²	11	81 Å²	81	4%	0.042	43%	0.429	C	S	.	.	H	α-helix	trans	-89	-21.1	170.4	-64.7	2.2	0	0	0	113.2	L772 M780 L783 K784 S787 L788 L852 P853 R854 L899	L772-W856 HydrophobicContact CD2-CH2 3.65Å; L772-W856 HydrophobicContact CD2-CZ2 4.48Å; L772-W856 HydrophobicContact CD2-CZ3 4Å; M780-W856 HydrophobicContact SD-CZ2 4.39Å; M780-W856 PolarHBondContact SD-NE1 3.45Å; M780-W856 VanDerWaalsContact SD-NE1 3.41Å; L783-W856 HydrophobicContact CB-CH2 4.44Å; L783-W856 HydrophobicContact CB-CZ2 4.25Å; L783-W856 HydrophobicContact CD2-CH2 4.25Å; L783-W856 HydrophobicContact CD2-CZ2 3.92Å; L783-W856 HydrophobicContact CG-CH2 3.9Å; L783-W856 HydrophobicContact CG-CZ2 3.93Å; K784-W856 HydrophobicContact CG-CD2 3.89Å; K784-W856 HydrophobicContact CG-CE3 4.1Å; K784-W856 HydrophobicContact CG-CG 4.43Å; K784-W856 HydrophobicContact CG-CH2 4.25Å; K784-W856 HydrophobicContact CG-CZ2 4.02Å; K784-W856 HydrophobicContact CG-CZ3 4.28Å; S787-W856 WeakPolarHBondContact OG-CH2 3.47Å; S787-W856 VanDerWaalsContact OG-CZ3 3.25Å; S787-W856 WeakPolarHBondContact OG-CZ3 3.33Å; L788-W856 HydrophobicContact CD1-CE3 4.33Å; L788-W856 HydrophobicContact CG-CE3 4.5Å; L788-W856 HydrophobicContact CG-CZ3 4.39Å; L852-W856 HydrophobicContact CD2-CE3 3.91Å; L852-W856 HydrophobicContact CD2-CZ3 3.77Å; P853-W856 HydrophobicContact CB-CD2 4.29Å; P853-W856 HydrophobicContact CB-CG 4.2Å; P853-W856 HydrophobicContact CG-CD2 4.07Å; P853-W856 HydrophobicContact CG-CE3 4.41Å; P853-W856 HydrophobicContact CG-CG 4.5Å; P853-W856 HydrophobicContact CG-CZ2 4.2Å; P853-W856 WeakPolarHBondContact O-CB 3.18Å; P853-W856 PolarHBondContact O-N 3.29Å; R854-W856 PolarHBondContact O-N 3.17Å; W856-L899 WeakPolarHBondContact O-CD1 3.38Å
857	L	73.2	Confident	63.1	Low	9 Å²	9	85 Å²	85	5%	0.047	45%	0.453	C	S	.	.	H	α-helix	trans	-77.7	-34.7	-179	-55.6	176.9	0	0	0	110.8	V849 L852 R854 S859 L899 L946 L947	V849-L857 HydrophobicContact CG1-CD1 4.07Å; V849-L857 HydrophobicContact CG1-CD2 4.44Å; L852-L857 HydrophobicContact CD1-CD2 4.46Å; R854-L857 PolarHBondContact O-N 3.02Å; R854-L857 VanDerWaalsContact O-N 3.12Å; L857-S859 PolarHBondContact O-N 2.9Å; L857-L899 HydrophobicContact CD2-CD2 3.81Å; L857-L946 WeakPolarHBondContact CB-O 3.41Å; L857-L947 HydrophobicContact CD2-CD2 3.77Å
858	K	66.8	Low	60.3	Low	104 Å²	104	89 Å²	89	45%	0.452	47%	0.471	S	S	.	.	S	Bend	trans	-60.1	128.8	175.5	-63	178.4	-162.8	160.6	0	111.8	E855 S860 N949	E855-K858 IonicContact OE1-NZ 3.88Å; E855-K858 PolarHBondContact OE1-NZ 2.98Å; E855-K858 WeakPolarHBondContact OE2-CE 3.28Å; E855-K858 IonicContact OE2-NZ 3.19Å; E855-K858 PolarHBondContact OE2-NZ 2.94Å; K858-S860 PolarHBondContact O-N 2.88Å; K858-N949 WeakPolarHBondContact CA-O 3.13Å; K858-N949 VanDerWaalsContact CA-OXT 3.3Å; K858-N949 WeakPolarHBondContact CA-OXT 3.04Å
859	S	51.9	Low	57.9	Low	73 Å²	73	96.4 Å²	96.4	51%	0.51	51%	0.511	S	S	.	.			trans	-64.9	127.1	179.6	-170.3	0	0	0	0	111.1	L857 I861 N949	L857-S859 PolarHBondContact O-N 2.9Å; S859-I861 PolarHBondContact O-N 3.36Å; S859-N949 PolarHBondContact N-O 3.49Å
860	S	37.1	Very low	55.3	Low	100 Å²	100	104.7 Å²	104.7	70%	0.699	55%	0.548	S	S	*	.			trans	-71	75.3	175.7	-55.2	0	0	0	0	111.5	K858 T862	K858-S860 PolarHBondContact O-N 2.88Å; S860-T862 VanDerWaalsContact C-N 3.3Å; S860-T862 PolarHBondContact O-N 2.88Å; S860-T862 VanDerWaalsContact O-N 3.12Å
861	I	32.6	Very low	52.8	Low	142 Å²	142	107.7 Å²	107.7	73%	0.728	56%	0.564	S	S	*	*			trans	-82	81.9	168.4	-53.6	178.4	0	0	0	108.5	S859	S859-I861 PolarHBondContact O-N 3.36Å
862	T	29	Very low	50.1	Low	125 Å²	125	111.2 Å²	111.2	77%	0.767	58%	0.584	S	S	*	*			trans	-121	74.7	156.1	52.3	0	0	0	0	107.6	S860 V864	S860-T862 VanDerWaalsContact C-N 3.3Å; S860-T862 PolarHBondContact O-N 2.88Å; S860-T862 VanDerWaalsContact O-N 3.12Å; T862-V864 PolarHBondContact O-N 2.96Å
863	S	28	Very low	47.8	Very low	93 Å²	93	118.8 Å²	118.8	65%	0.65	62%	0.624	S	S	*	*			trans	-66	115.2	158.7	62.6	0	0	0	0	106.6	K865	S863-K865 PolarHBondContact O-N 3.27Å
864	V	30.5	Very low	45.4	Very low	130 Å²	130	126 Å²	126	79%	0.788	65%	0.652	S	S	*	*			trans	-58.8	108.8	161.7	176.6	0	0	0	0	105.6	T862 Q866	T862-V864 PolarHBondContact O-N 2.96Å; V864-Q866 PolarHBondContact O-N 2.89Å
865	K	32.3	Very low	43.6	Very low	168 Å²	168	124.8 Å²	124.8	73%	0.73	66%	0.658	S	S	*	*			trans	-68.2	121.1	161.5	-76.2	-175.8	172.8	-174.7	0	105.6	S863 D867	S863-K865 PolarHBondContact O-N 3.27Å; K865-D867 PolarHBondContact O-N 3.24Å
866	Q	31.4	Very low	42	Very low	155 Å²	155	125.3 Å²	125.3	72%	0.724	67%	0.665	S	S	*	*			trans	-65.4	114.7	156.6	-74	171.5	-111.3	0	0	106	V864 D868	V864-Q866 PolarHBondContact O-N 2.89Å; Q866-D868 PolarHBondContact O-N 3.44Å; Q866-D868 VanDerWaalsContact O-N 3.14Å
867	D	35.1	Very low	40.3	Very low	143 Å²	143	131.5 Å²	131.5	77%	0.765	70%	0.699	S	S	*	*			trans	-78	87.6	160.6	-68.4	-37.9	0	0	0	106	K865 D869	K865-D867 PolarHBondContact O-N 3.24Å; D867-D869 VanDerWaalsContact C-N 3.26Å; D867-D869 PolarHBondContact O-N 3.48Å
868	D	34	Very low	39.1	Very low	132 Å²	132	137.8 Å²	137.8	71%	0.706	73%	0.733	S	S	*	*			trans	-70.9	83.3	170.8	-71.4	-37.3	0	0	0	108.6	Q866	Q866-D868 PolarHBondContact O-N 3.44Å; Q866-D868 VanDerWaalsContact O-N 3.14Å
869	D	40.7	Very low	38.2	Very low	157 Å²	157	139.3 Å²	139.3	84%	0.84	75%	0.746	S	S	*	*			trans	-97.4	120.4	169.9	-113.1	-25.3	0	0	0	110.7	D867	D867-D869 VanDerWaalsContact C-N 3.26Å; D867-D869 PolarHBondContact O-N 3.48Å
870	H	36.2	Very low	38	Very low	178 Å²	178	142.6 Å²	142.6	82%	0.824	76%	0.758	S	S	*	*			trans	-60	135.6	-179.9	-67.5	-57.7	0	0	0	112.2
871	N	37.1	Very low	38.5	Very low	157 Å²	157	144.5 Å²	144.5	84%	0.84	76%	0.76	S	S	*	*				-152.9	143.3	120.8	-127	-25.9	0	0	0	114.3
872	N	34.1	Very low	39.1	Very low	135 Å²	135	144.6 Å²	144.6	72%	0.722	76%	0.762	S	S	*	*			trans	-75.1	148.4	172.2	-57.5	-73.7	0	0	0	109.7
873	N	41.2	Very low	39.4	Very low	167 Å²	167	145.6 Å²	145.6	89%	0.893	76%	0.763	S	S	*	*				-154.1	152	115	-95.6	-18.3	0	0	0	110.4
874	K	36.6	Very low	39.9	Very low	179 Å²	179	149 Å²	149	78%	0.778	77%	0.774	S	S	*	*			trans	-91.4	-169.3	179.1	-77.6	178.7	157.7	-164	0	110
875	D	44.6	Very low	40.1	Very low	138 Å²	138	152.1 Å²	152.1	74%	0.738	78%	0.779	S	S	*	*			trans	90.4	126.9	162.4	-37.3	-18.5	0	0	0	112.2
876	D	46.6	Very low	40.1	Very low	136 Å²	136	148.3 Å²	148.3	73%	0.727	77%	0.774	S	S	*	*			cis	-165.3	-171.5	-24.4	-105.4	-21.7	0	0	0	106
877	D	46.9	Very low	40.1	Very low	141 Å²	141	146.7 Å²	146.7	75%	0.754	78%	0.78	S	S	*	*			trans	76.8	91.1	161.6	-50.6	-24.5	0	0	0	119.9
878	D	48.4	Very low	39.9	Very low	141 Å²	141	148.6 Å²	148.6	75%	0.754	78%	0.782	S	S	*	*				73.4	143.9	110.8	-65.2	-8.8	0	0	0	125.5
879	D	48.5	Very low	39.7	Very low	136 Å²	136	150.9 Å²	150.9	73%	0.727	79%	0.788	S	S	*	*			trans	83.9	110.3	152.6	-60.2	-15.6	0	0	0	124.1
880	D	48.3	Very low	39.1	Very low	142 Å²	142	149.3 Å²	149.3	76%	0.759	78%	0.784	S	S	*	*			trans	88.8	125.7	132.3	-65.9	-15.4	0	0	0	124.2
881	D	45.8	Very low	38.7	Very low	139 Å²	139	145.9 Å²	145.9	74%	0.743	78%	0.78	S	S	*	*			trans	19.8	131.8	151.3	-70.5	-24	0	0	0	119.2
882	D	45.6	Very low	38.3	Very low	144 Å²	144	145.6 Å²	145.6	77%	0.77	78%	0.778	S	S	*	*			cis	-162.6	162.6	48.1	-136.6	-32.5	0	0	0	112.9
883	N	36.1	Very low	38	Very low	147 Å²	147	144.8 Å²	144.8	79%	0.786	78%	0.778	S	S	*	*			trans	-78	133.7	179.1	-73.9	-87.7	0	0	0	112.1
884	D	38.9	Very low	37.5	Very low	164 Å²	164	143.2 Å²	143.2	88%	0.877	77%	0.774	S	S	*	*			trans	-153.2	132.5	138.5	-129.7	-17.6	0	0	0	114.6	S886	D884-S886 PolarHBondContact O-N 2.86Å
885	E	33.5	Very low	37.6	Very low	195 Å²	195	140.9 Å²	140.9	91%	0.911	78%	0.775	S	S	*	*			trans	-72.9	111.9	-176.2	-80.5	-175.2	114.7	0	0	112.1
886	S	33	Very low	38	Very low	89 Å²	89	137.9 Å²	137.9	62%	0.622	76%	0.764	S	S	*	*			trans	-145.4	99.7	147.5	66.1	0	0	0	0	113.1	D884 K888	D884-S886 PolarHBondContact O-N 2.86Å; S886-K888 VanDerWaalsContact C-N 3.25Å; S886-K888 PolarHBondContact O-N 3.05Å
887	S	31.1	Very low	39	Very low	121 Å²	121	134.3 Å²	134.3	85%	0.846	75%	0.745	S	S	*	*			trans	-69.4	76.7	174.9	37.9	0	0	0	0	111.6	Q889	S887-Q889 VanDerWaalsContact C-N 3.27Å; S887-Q889 PolarHBondContact O-N 2.86Å
888	K	31.6	Very low	39.8	Very low	183 Å²	183	129.2 Å²	129.2	80%	0.796	72%	0.72	S	S	*	*			trans	-69.5	84	169.8	-78.1	175.4	-177.8	159.1	0	110.3	S886 T890	S886-K888 VanDerWaalsContact C-N 3.25Å; S886-K888 PolarHBondContact O-N 3.05Å; K888-T890 PolarHBondContact O-N 2.82Å
889	Q	29.1	Very low	41.3	Very low	179 Å²	179	122.9 Å²	122.9	84%	0.836	69%	0.686	S	S	*	*			trans	-52.5	110.5	158.8	-78	-178.1	-19.2	0	0	108.8	S887 S891	S887-Q889 VanDerWaalsContact C-N 3.27Å; S887-Q889 PolarHBondContact O-N 2.86Å; Q889-S891 PolarHBondContact O-N 3.19Å
890	T	28.2	Very low	42.9	Very low	124 Å²	124	118.3 Å²	118.3	76%	0.761	67%	0.665	S	S	*	*			trans	-64	88.4	169	31.7	0	0	0	0	108.6	K888 L892	K888-T890 PolarHBondContact O-N 2.82Å; T890-L892 VanDerWaalsContact C-N 3.29Å; T890-L892 PolarHBondContact O-N 2.61Å
891	S	28.1	Very low	44.6	Very low	106 Å²	106	115.8 Å²	115.8	74%	0.741	65%	0.648	S	S	*	*			trans	-65.9	90.9	172.5	43.8	0	0	0	0	109.1	Q889 T893	Q889-S891 PolarHBondContact O-N 3.19Å; S891-T893 VanDerWaalsContact C-N 3.35Å; S891-T893 PolarHBondContact O-N 3.34Å
892	L	27.8	Very low	46.5	Very low	151 Å²	151	109.2 Å²	109.2	79%	0.791	61%	0.613	S	S	*	*			trans	-54.3	105.1	160.7	-92	85.7	0	0	0	106.9	T890 V894	T890-L892 VanDerWaalsContact C-N 3.29Å; T890-L892 PolarHBondContact O-N 2.61Å; L892-V894 VanDerWaalsContact C-N 3.33Å; L892-V894 PolarHBondContact O-N 3.11Å
893	T	28.1	Very low	48.4	Very low	118 Å²	118	105.3 Å²	105.3	72%	0.724	59%	0.589	S	S	*	*			trans	-63.9	99.7	169.6	50.6	0	0	0	0	107	S891 V895	S891-T893 VanDerWaalsContact C-N 3.35Å; S891-T893 PolarHBondContact O-N 3.34Å; T893-V895 VanDerWaalsContact C-N 3.33Å; T893-V895 PolarHBondContact O-N 2.9Å
894	V	31.4	Very low	50.7	Low	135 Å²	135	107.6 Å²	107.6	82%	0.818	59%	0.587	S	S	*	*			trans	-58.5	98.9	175.6	178.5	0	0	0	0	107.6	L892 S896	L892-V894 VanDerWaalsContact C-N 3.33Å; L892-V894 PolarHBondContact O-N 3.11Å; V894-S896 VanDerWaalsContact C-N 3.35Å; V894-S896 PolarHBondContact O-N 2.81Å
895	V	38	Very low	52.9	Low	130 Å²	130	100.2 Å²	100.2	79%	0.788	55%	0.547	S	S	*	.			trans	-66.8	100.4	175	-179.9	0	0	0	0	106.1	T893 D897	T893-V895 VanDerWaalsContact C-N 3.33Å; T893-V895 PolarHBondContact O-N 2.9Å; V895-D897 PolarHBondContact O-N 2.87Å; V895-D897 VanDerWaalsContact O-N 3.11Å
896	S	53.9	Low	55.3	Low	74 Å²	74	91.2 Å²	91.2	52%	0.517	51%	0.505	S	S	.	.			trans	-53	118.9	179.7	177.6	0	0	0	0	109.2	V894 P898 S900	V894-S896 VanDerWaalsContact C-N 3.35Å; V894-S896 PolarHBondContact O-N 2.81Å; S896-P898 WeakPolarHBondContact O-CD 3.48Å; S896-S900 PolarHBondContact OG-OG 3.4Å
897	D	67.4	Low	57.7	Low	62 Å²	62	90.4 Å²	90.4	33%	0.332	50%	0.496	S	S	.	.			trans	-45.1	117.2	174.3	166.2	16.3	0	0	0	108.1	V895 L899 S900 K903	V895-D897 PolarHBondContact O-N 2.87Å; V895-D897 VanDerWaalsContact O-N 3.11Å; D897-L899 PolarHBondContact O-N 3.32Å; D897-L899 VanDerWaalsContact O-N 3.1Å; D897-L899 WeakPolarHBondContact OD1-CB 3.5Å; D897-L899 PolarHBondContact OD1-N 3.48Å; D897-S900 WeakPolarHBondContact O-CB 3.48Å; D897-S900 PolarHBondContact O-N 3.03Å; D897-S900 PolarHBondContact O-OG 3.18Å; D897-K903 IonicContact OD2-NZ 2.64Å; D897-K903 PolarHBondContact OD2-NZ 2.93Å
898	P	63.5	Low	60.2	Low	33 Å²	33	88.4 Å²	88.4	21%	0.214	47%	0.474	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-19.1	-175.4	24.9	-33.8	0	0	0	112.5	L788 N793 S896	L788-P898 HydrophobicContact CB-CB 3.82Å; L788-P898 HydrophobicContact CD1-CB 3.75Å; L788-P898 HydrophobicContact CD1-CG 3.71Å; L788-P898 HydrophobicContact CG-CB 4.44Å; N793-P898 PolarHBondContact ND2-O 3.07Å; S896-P898 WeakPolarHBondContact O-CD 3.48Å
899	L	80.2	Confident	62.6	Low	9 Å²	9	79.7 Å²	79.7	5%	0.047	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-13	171	-65	123.1	0	0	0	113.5	L788 W856 L857 D897 Q901 I902 K903 L947	L788-L899 HydrophobicContact CD1-CD1 4.48Å; L788-L899 HydrophobicContact CD1-CG 4.29Å; W856-L899 WeakPolarHBondContact O-CD1 3.38Å; L857-L899 HydrophobicContact CD2-CD2 3.81Å; D897-L899 PolarHBondContact O-N 3.32Å; D897-L899 VanDerWaalsContact O-N 3.1Å; D897-L899 WeakPolarHBondContact OD1-CB 3.5Å; D897-L899 PolarHBondContact OD1-N 3.48Å; L899-Q901 PolarHBondContact O-N 3.22Å; L899-I902 HydrophobicContact CD2-CD1 4.48Å; L899-I902 PolarHBondContact O-N 3.27Å; L899-K903 WeakPolarHBondContact O-CG 3.21Å; L899-K903 PolarHBondContact O-N 3.29Å; L899-L947 HydrophobicContact CD2-CD2 3.97Å
900	S	82.6	Confident	65	Low	40 Å²	40	73.1 Å²	73.1	28%	0.28	41%	0.406	S	S	.	.	H	α-helix	trans	-57.1	-33.7	179.7	65.3	0	0	0	0	112.9	S896 D897 R904	S896-S900 PolarHBondContact OG-OG 3.4Å; D897-S900 WeakPolarHBondContact O-CB 3.48Å; D897-S900 PolarHBondContact O-N 3.03Å; D897-S900 PolarHBondContact O-OG 3.18Å; S900-R904 VanDerWaalsContact O-CB 3.22Å; S900-R904 WeakPolarHBondContact O-CB 3.45Å; S900-R904 PolarHBondContact O-N 3.48Å
901	Q	83.9	Confident	67.5	Low	88 Å²	88	74.1 Å²	74.1	41%	0.411	40%	0.402	S	S	.	.	H	α-helix	trans	-72.4	-37.8	177	-59.1	-169.6	33.4	0	0	112	L797 L899 R904 F905	L797-Q901 HydrophobicContact CD1-CB 3.8Å; L899-Q901 PolarHBondContact O-N 3.22Å; Q901-R904 PolarHBondContact O-N 3.37Å; Q901-F905 WeakPolarHBondContact O-CB 3.5Å; Q901-F905 PolarHBondContact O-N 2.91Å
902	I	84.5	Confident	69.4	Low	1 Å²	1	71.4 Å²	71.4	1%	0.005	38%	0.38	C	S	.	.	H	α-helix	trans	-66	-47.4	173.6	-58.2	175.3	0	0	0	109.7	L788 I792 L797 L845 V849 L852 L899 R904 F905 L906 L947	L788-I902 HydrophobicContact CD2-CD1 3.99Å; I792-I902 HydrophobicContact CG2-CD1 4.08Å; I792-I902 HydrophobicContact CG2-CG1 4.2Å; L797-I902 HydrophobicContact CD1-CG1 4.08Å; L845-I902 HydrophobicContact CD1-CG2 4.35Å; V849-I902 HydrophobicContact CG2-CG2 4.4Å; L852-I902 HydrophobicContact CD1-CD1 4.02Å; L899-I902 HydrophobicContact CD2-CD1 4.48Å; L899-I902 PolarHBondContact O-N 3.27Å; I902-R904 PolarHBondContact O-N 3.11Å; I902-F905 PolarHBondContact O-N 3.44Å; I902-L906 WeakPolarHBondContact O-CB 3.44Å; I902-L906 PolarHBondContact O-N 3.12Å; I902-L947 HydrophobicContact CG2-CD1 4.02Å
903	K	85.1	Confident	71.3	Confident	63 Å²	63	66.9 Å²	66.9	27%	0.274	36%	0.355	S	S	.	.	H	α-helix	trans	-56.9	-46.5	174.9	-69	167.9	-177.3	166.3	0	111	D897 L899 L906 T907 L947	D897-K903 IonicContact OD2-NZ 2.64Å; D897-K903 PolarHBondContact OD2-NZ 2.93Å; L899-K903 WeakPolarHBondContact O-CG 3.21Å; L899-K903 PolarHBondContact O-N 3.29Å; K903-L906 WeakPolarHBondContact O-CB 3.45Å; K903-L906 PolarHBondContact O-N 2.98Å; K903-T907 PolarHBondContact O-N 3.08Å; K903-T907 PolarHBondContact O-OG1 3.49Å; K903-T907 VanDerWaalsContact O-OG1 3.12Å; K903-L947 WeakPolarHBondContact CE-O 3.49Å; K903-L947 HydrophobicContact CG-CB 4.5Å; K903-L947 HydrophobicContact CG-CD2 4.32Å
904	R	85.3	Confident	72.8	Confident	194 Å²	194	62.4 Å²	62.4	73%	0.732	33%	0.328	S	S	*	.	H	α-helix	trans	-62.9	-42.8	176.2	-178.1	179	177.8	176.3	1.5	112.8	S900 Q901 I902 L906 T907 Q908	S900-R904 VanDerWaalsContact O-CB 3.22Å; S900-R904 WeakPolarHBondContact O-CB 3.45Å; S900-R904 PolarHBondContact O-N 3.48Å; Q901-R904 PolarHBondContact O-N 3.37Å; I902-R904 PolarHBondContact O-N 3.11Å; R904-L906 VanDerWaalsContact C-N 3.34Å; R904-T907 PolarHBondContact O-N 3.26Å; R904-Q908 PolarHBondContact O-N 2.74Å
905	F	84.4	Confident	73.8	Confident	10 Å²	10	60.7 Å²	60.7	4%	0.044	32%	0.32	C	S	.	.	H	α-helix	trans	-67.2	-36.2	178	-172	-104.5	0	0	0	111.9	L797 L800 A801 L804 L845 Q901 I902 Q908 L909	L797-F905 HydrophobicContact CD2-CB 4.45Å; L797-F905 HydrophobicContact CD2-CD1 4.26Å; L797-F905 HydrophobicContact CD2-CG 4.39Å; L800-F905 HydrophobicContact CB-CE1 3.63Å; L800-F905 HydrophobicContact CB-CE2 4.25Å; L800-F905 HydrophobicContact CB-CZ 3.44Å; L800-F905 VanDerWaalsContact CB-CZ 3.44Å; L800-F905 HydrophobicContact CD1-CD1 4.37Å; L800-F905 HydrophobicContact CD1-CE1 3.84Å; L800-F905 HydrophobicContact CG-CE1 4.35Å; A801-F905 HydrophobicContact CB-CE2 4.15Å; L804-F905 HydrophobicContact CD2-CE2 4.05Å; L804-F905 HydrophobicContact CD2-CZ 4.23Å; L845-F905 HydrophobicContact CD1-CD1 4.26Å; L845-F905 HydrophobicContact CD2-CD1 4.13Å; L845-F905 HydrophobicContact CD2-CE1 4.44Å; Q901-F905 WeakPolarHBondContact O-CB 3.5Å; Q901-F905 PolarHBondContact O-N 2.91Å; I902-F905 PolarHBondContact O-N 3.44Å; F905-Q908 WeakPolarHBondContact O-CB 3.36Å; F905-Q908 PolarHBondContact O-N 3.31Å; F905-L909 HydrophobicContact CD1-CD1 4.14Å; F905-L909 HydrophobicContact CD1-CG 4.47Å; F905-L909 HydrophobicContact CE1-CD1 3.71Å; F905-L909 HydrophobicContact CE1-CD2 4.47Å; F905-L909 HydrophobicContact CE1-CG 4.04Å; F905-L909 HydrophobicContact CZ-CD1 4.41Å; F905-L909 HydrophobicContact CZ-CD2 4.39Å; F905-L909 HydrophobicContact CZ-CG 4.32Å; F905-L909 PolarHBondContact O-N 2.98Å
906	L	84.4	Confident	74.3	Confident	6 Å²	6	58.9 Å²	58.9	3%	0.031	31%	0.309	C	S	.	.	H	α-helix	trans	-63.4	-44.4	171.9	-174	75.9	0	0	0	111.9	L845 I902 K903 R904 Q908 L909 L910 L940 L943 R944 L947	L845-L906 HydrophobicContact CD2-CD1 3.87Å; I902-L906 WeakPolarHBondContact O-CB 3.44Å; I902-L906 PolarHBondContact O-N 3.12Å; K903-L906 WeakPolarHBondContact O-CB 3.45Å; K903-L906 PolarHBondContact O-N 2.98Å; R904-L906 VanDerWaalsContact C-N 3.34Å; L906-Q908 VanDerWaalsContact C-N 3.3Å; L906-Q908 PolarHBondContact O-N 3.04Å; L906-L909 PolarHBondContact O-N 3.02Å; L906-L910 HydrophobicContact CG-CD1 4.38Å; L906-L910 WeakPolarHBondContact O-CG 3.39Å; L906-L910 PolarHBondContact O-N 3.02Å; L906-L940 HydrophobicContact CD1-CD2 3.52Å; L906-L943 HydrophobicContact CD1-CB 3.94Å; L906-L943 HydrophobicContact CD1-CD1 4.42Å; L906-R944 VanDerWaalsContact CD2-CA 3.42Å; L906-R944 HydrophobicContact CD2-CB 3.78Å; L906-R944 HydrophobicContact CD2-CG 4.34Å; L906-L947 HydrophobicContact CD2-CD1 4.02Å
907	T	84.1	Confident	73.9	Confident	71 Å²	71	59 Å²	59	44%	0.436	30%	0.299	S	S	.	.	H	α-helix	trans	-58.4	-43.5	172.4	-55.3	0	0	0	0	111	K903 R904 L909 L910 E911	K903-T907 PolarHBondContact O-N 3.08Å; K903-T907 PolarHBondContact O-OG1 3.49Å; K903-T907 VanDerWaalsContact O-OG1 3.12Å; R904-T907 PolarHBondContact O-N 3.26Å; T907-L909 VanDerWaalsContact C-N 3.32Å; T907-L909 PolarHBondContact O-N 3.22Å; T907-L910 CarbonylContact O-C 3.53Å; T907-L910 PolarHBondContact O-N 3.31Å; T907-L910 VanDerWaalsContact O-N 3.09Å; T907-E911 HydrophobicContact CG2-CG 4.44Å; T907-E911 WeakPolarHBondContact CG2-OE1 3.44Å; T907-E911 WeakPolarHBondContact O-CG 3.36Å; T907-E911 PolarHBondContact O-N 3.36Å
908	Q	83.1	Confident	72.7	Confident	80 Å²	80	60.9 Å²	60.9	37%	0.374	31%	0.307	S	S	.	.	H	α-helix	trans	-60.8	-38	176.1	-171.8	179.9	-2.6	0	0	112.5	L804 R904 F905 L906 E911 N912	L804-Q908 HydrophobicContact CD2-CG 4.04Å; R904-Q908 PolarHBondContact O-N 2.74Å; F905-Q908 WeakPolarHBondContact O-CB 3.36Å; F905-Q908 PolarHBondContact O-N 3.31Å; L906-Q908 VanDerWaalsContact C-N 3.3Å; L906-Q908 PolarHBondContact O-N 3.04Å; Q908-E911 PolarHBondContact O-N 2.74Å; Q908-N912 WeakPolarHBondContact O-CB 3.22Å; Q908-N912 PolarHBondContact O-N 3.28Å; Q908-N912 PolarHBondContact O-ND2 2.76Å
909	L	81.6	Confident	71.8	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-68.2	-35.6	173.3	-72.7	174.6	0	0	0	112.8	L804 F838 A841 V842 L845 F905 L906 T907 N912 L940	L804-L909 HydrophobicContact CD1-CD2 3.65Å; L804-L909 HydrophobicContact CD2-CD2 3.82Å; L804-L909 HydrophobicContact CG-CD2 4.3Å; F838-L909 HydrophobicContact CD2-CD2 4.27Å; F838-L909 HydrophobicContact CE2-CD2 4.03Å; A841-L909 HydrophobicContact CB-CD2 4.34Å; V842-L909 HydrophobicContact CG2-CD1 4.41Å; L845-L909 HydrophobicContact CD2-CD1 3.52Å; F905-L909 HydrophobicContact CD1-CD1 4.14Å; F905-L909 HydrophobicContact CD1-CG 4.47Å; F905-L909 HydrophobicContact CE1-CD1 3.71Å; F905-L909 HydrophobicContact CE1-CD2 4.47Å; F905-L909 HydrophobicContact CE1-CG 4.04Å; F905-L909 HydrophobicContact CZ-CD1 4.41Å; F905-L909 HydrophobicContact CZ-CD2 4.39Å; F905-L909 HydrophobicContact CZ-CG 4.32Å; F905-L909 PolarHBondContact O-N 2.98Å; L906-L909 PolarHBondContact O-N 3.02Å; T907-L909 VanDerWaalsContact C-N 3.32Å; T907-L909 PolarHBondContact O-N 3.22Å; L909-N912 PolarHBondContact O-N 3.28Å; L909-L940 HydrophobicContact CB-CD1 4.2Å; L909-L940 HydrophobicContact CB-CD2 3.84Å; L909-L940 HydrophobicContact CD1-CD2 3.87Å
910	L	80.5	Confident	70	Confident	41 Å²	41	72.7 Å²	72.7	22%	0.215	36%	0.357	C	S	.	.	H	α-helix	trans	-72.2	-25.5	174.6	-71.6	168.3	0	0	0	113.1	L906 T907 I913 L940 R944	L906-L910 HydrophobicContact CG-CD1 4.38Å; L906-L910 WeakPolarHBondContact O-CG 3.39Å; L906-L910 PolarHBondContact O-N 3.02Å; T907-L910 CarbonylContact O-C 3.53Å; T907-L910 PolarHBondContact O-N 3.31Å; T907-L910 VanDerWaalsContact O-N 3.09Å; L910-I913 HydrophobicContact CD2-CD1 4.45Å; L910-I913 WeakPolarHBondContact O-CD1 3.11Å; L910-I913 VanDerWaalsContact O-CG1 3.27Å; L910-I913 WeakPolarHBondContact O-CG1 3.42Å; L910-L940 HydrophobicContact CD2-CB 3.86Å; L910-L940 HydrophobicContact CD2-CD1 4.34Å; L910-R944 HydrophobicContact CD1-CB 4.49Å; L910-R944 HydrophobicContact CD1-CG 4.38Å
911	E	79.3	Confident	68	Low	145 Å²	145	78.6 Å²	78.6	68%	0.678	39%	0.386	S	S	*	.	H	α-helix	trans	-79.6	-31.6	172.3	-73.2	169.8	-177.5	0	0	112.3	T907 Q908 I913	T907-E911 HydrophobicContact CG2-CG 4.44Å; T907-E911 WeakPolarHBondContact CG2-OE1 3.44Å; T907-E911 WeakPolarHBondContact O-CG 3.36Å; T907-E911 PolarHBondContact O-N 3.36Å; Q908-E911 PolarHBondContact O-N 2.74Å; E911-I913 VanDerWaalsContact C-N 3.33Å; E911-I913 PolarHBondContact O-N 3.23Å
912	N	69.5	Low	65.9	Low	49 Å²	49	81.6 Å²	81.6	26%	0.262	40%	0.403	S	S	.	.	S	Bend	trans	-93.7	24.4	-178.7	-71.4	-85.4	0	0	0	113.5	Q908 L909 P914	Q908-N912 WeakPolarHBondContact O-CB 3.22Å; Q908-N912 PolarHBondContact O-N 3.28Å; Q908-N912 PolarHBondContact O-ND2 2.76Å; L909-N912 PolarHBondContact O-N 3.28Å; N912-P914 WeakPolarHBondContact O-CD 3.38Å
913	I	66.6	Low	64.2	Low	55 Å²	55	87 Å²	87	28%	0.282	43%	0.432	S	S	.	.			trans	-61.3	126	169.3	-57.5	161.1	0	0	0	107.6	L910 E911 M937	L910-I913 HydrophobicContact CD2-CD1 4.45Å; L910-I913 WeakPolarHBondContact O-CD1 3.11Å; L910-I913 VanDerWaalsContact O-CG1 3.27Å; L910-I913 WeakPolarHBondContact O-CG1 3.42Å; E911-I913 VanDerWaalsContact C-N 3.33Å; E911-I913 PolarHBondContact O-N 3.23Å; I913-M937 HydrophobicContact CB-SD 4.44Å; I913-M937 HydrophobicContact CD1-CE 3.6Å; I913-M937 HydrophobicContact CD1-SD 3.31Å; I913-M937 WeakPolarHBondContact CD1-SD 3.24Å; I913-M937 HydrophobicContact CG1-SD 3.57Å; I913-M937 VanDerWaalsContact CG1-SD 3.57Å; I913-M937 HydrophobicContact CG2-SD 3.96Å
914	P	59.4	Low	62.6	Low	24 Å²	24	90 Å²	90	16%	0.156	46%	0.456	C	S	.	.			trans	-54.1	130.1	173.7	-25.3	34.7	0	0	0	110.1	N912 T916	N912-P914 WeakPolarHBondContact O-CD 3.38Å; P914-T916 VanDerWaalsContact C-N 3.33Å; P914-T916 PolarHBondContact O-N 3.45Å
915	P	52.2	Low	61	Low	100 Å²	100	83.3 Å²	83.3	65%	0.649	45%	0.447	S	S	*	.			trans	-67.9	90.6	-174.7	25.4	-33.2	0	0	0	111.4	L809	L809-P915 HydrophobicContact CD2-CG 4.06Å
916	T	49.2	Very low	59.5	Low	91 Å²	91	85 Å²	85	56%	0.558	46%	0.455	S	S	*	.			trans	25.9	98.1	157.2	51.6	0	0	0	0	117.1	P914 M918	P914-T916 VanDerWaalsContact C-N 3.33Å; P914-T916 PolarHBondContact O-N 3.45Å; T916-M918 HydrophobicContact CG2-CB 4.22Å; T916-M918 HydrophobicContact CG2-CG 4.11Å; T916-M918 HydrophobicContact CG2-SD 4.48Å; T916-M918 PolarHBondContact O-N 3.14Å
917	R	45.1	Very low	58.2	Low	78 Å²	78	86.7 Å²	86.7	29%	0.294	47%	0.469	S	S	.	.			trans	-71.9	14.4	147.5	-78	-170.2	180	136	5.7	113.2	D831 Y919 S920 Q926 Q930	D831-R917 IonicContact OD2-CZ 3.81Å; D831-R917 IonicContact OD2-NH1 3.93Å; D831-R917 IonicContact OD2-NH2 2.83Å; D831-R917 PolarHBondContact OD2-NH2 2.78Å; R917-Y919 PolarHBondContact O-N 3Å; R917-S920 PolarHBondContact O-N 3.03Å; R917-S920 PolarHBondContact O-OG 3.1Å; R917-Q926 VanDerWaalsContact CD-OE1 3.29Å; R917-Q930 PolarHBondContact O-NE2 3.42Å
918	M	42.8	Very low	57.2	Low	101 Å²	101	88.5 Å²	88.5	50%	0.498	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	7	-172.7	-69.1	-158	154.9	0	0	115.3	T916	T916-M918 HydrophobicContact CG2-CB 4.22Å; T916-M918 HydrophobicContact CG2-CG 4.11Å; T916-M918 HydrophobicContact CG2-SD 4.48Å; T916-M918 PolarHBondContact O-N 3.14Å
919	Y	43.4	Very low	56.3	Low	228 Å²	228	85.5 Å²	85.5	89%	0.894	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.7	25.6	177.3	-69.7	-75.1	0	0	0	113.7	R917	R917-Y919 PolarHBondContact O-N 3Å
920	S	42.4	Very low	55.5	Low	62 Å²	62	88.4 Å²	88.4	43%	0.434	48%	0.476	S	S	.	.	S	Bend	trans	-126.8	141.2	-179.4	54.3	0	0	0	0	113.3	R917	R917-S920 PolarHBondContact O-N 3.03Å; R917-S920 PolarHBondContact O-OG 3.1Å
921	D	42.1	Very low	55.1	Low	163 Å²	163	90.8 Å²	90.8	87%	0.872	49%	0.488	S	S	*	.			trans	-56.9	147	-169.1	-73.9	-57.9	0	0	0	115.6	N923	D921-N923 PolarHBondContact O-N 3.06Å
922	I	39.9	Very low	54.7	Low	152 Å²	152	85.1 Å²	85.1	78%	0.779	46%	0.462	S	S	*	.			trans	-70.6	111	-166	-57.9	165.7	0	0	0	111.1
923	N	48.9	Very low	54.8	Low	114 Å²	114	84.1 Å²	84.1	61%	0.61	46%	0.456	S	S	*	.			trans	-98.5	129	157.4	-122.9	-33.9	0	0	0	108.6	D921 G925 Q926	D921-N923 PolarHBondContact O-N 3.06Å; N923-G925 PolarHBondContact O-N 3.33Å; N923-Q926 HydrophobicContact CB-CG 4.27Å; N923-Q926 WeakPolarHBondContact O-CB 3.42Å; N923-Q926 PolarHBondContact O-N 3.04Å
924	V	51.3	Low	55.1	Low	127 Å²	127	90.5 Å²	90.5	77%	0.77	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	-55.1	-35.2	-167.3	179.9	0	0	0	0	113.1	Q926	V924-Q926 VanDerWaalsContact C-N 3.28Å; V924-Q926 PolarHBondContact O-N 2.67Å
925	G	51.5	Low	56.1	Low	53 Å²	53	94.4 Å²	94.4	55%	0.546	49%	0.493	S	S	.	.	G	3₁₀ helix	trans	-77.4	2.3	177	0	0	0	0	0	116.4	N923	N923-G925 PolarHBondContact O-N 3.33Å
926	Q	52.9	Low	57.5	Low	46 Å²	46	89.9 Å²	89.9	22%	0.215	46%	0.463	C	S	.	.	G	3₁₀ helix	trans	-105	-13.9	176.8	-62.2	-174.2	-2.8	0	0	113.3	R917 N923 V924 D928 I929 Q930	R917-Q926 VanDerWaalsContact CD-OE1 3.29Å; N923-Q926 HydrophobicContact CB-CG 4.27Å; N923-Q926 WeakPolarHBondContact O-CB 3.42Å; N923-Q926 PolarHBondContact O-N 3.04Å; V924-Q926 VanDerWaalsContact C-N 3.28Å; V924-Q926 PolarHBondContact O-N 2.67Å; Q926-D928 PolarHBondContact O-N 3.48Å; Q926-I929 PolarHBondContact O-N 2.87Å; Q926-Q930 PolarHBondContact O-N 3.16Å
927	A	56.1	Low	59	Low	40 Å²	40	88 Å²	88	33%	0.331	45%	0.449	S	S	.	.	H	α-helix	trans	-60.1	-46.7	-179.4	0	0	0	0	0	112.1	I929 Q930 I931	A927-I929 VanDerWaalsContact C-N 3.26Å; A927-I929 PolarHBondContact O-N 3.36Å; A927-Q930 PolarHBondContact O-N 3.32Å; A927-I931 WeakPolarHBondContact O-CG1 3.33Å; A927-I931 PolarHBondContact O-N 3.33Å
928	D	62.5	Low	60.8	Low	109 Å²	109	86.2 Å²	86.2	58%	0.583	46%	0.455	S	S	*	.	H	α-helix	trans	-59.3	-35.8	179.3	-62.7	-24.1	0	0	0	112.8	Q926 I931 I932	Q926-D928 PolarHBondContact O-N 3.48Å; D928-I931 PolarHBondContact O-N 3.34Å; D928-I932 WeakPolarHBondContact O-CD1 3.49Å; D928-I932 VanDerWaalsContact O-CG1 3.3Å; D928-I932 WeakPolarHBondContact O-CG1 3.47Å; D928-I932 PolarHBondContact O-N 3.39Å; D928-I932 VanDerWaalsContact O-N 3.08Å
929	I	65.4	Low	62.7	Low	18 Å²	18	82.9 Å²	82.9	9%	0.092	44%	0.44	C	S	.	.	H	α-helix	trans	-69.5	-44.7	179	-56.7	176.3	0	0	0	110.1	Q832 Q926 A927 I931 I932 E933	Q832-I929 HydrophobicContact CG-CD1 3.95Å; Q926-I929 PolarHBondContact O-N 2.87Å; A927-I929 VanDerWaalsContact C-N 3.26Å; A927-I929 PolarHBondContact O-N 3.36Å; I929-I931 VanDerWaalsContact C-N 3.29Å; I929-I931 PolarHBondContact O-N 3.29Å; I929-I932 PolarHBondContact O-N 2.91Å; I929-E933 HydrophobicContact CG2-CG 4.49Å; I929-E933 WeakPolarHBondContact CG2-OE1 3.34Å; I929-E933 WeakPolarHBondContact O-CG 3.43Å; I929-E933 PolarHBondContact O-N 2.77Å
930	Q	64.3	Low	64.7	Low	60 Å²	60	72 Å²	72	28%	0.28	40%	0.398	S	S	.	.	H	α-helix	trans	-64.1	-34	177.3	-65.8	-174.6	16.7	0	0	112.4	R917 Q926 A927 R934	R917-Q930 PolarHBondContact O-NE2 3.42Å; Q926-Q930 PolarHBondContact O-N 3.16Å; A927-Q930 PolarHBondContact O-N 3.32Å; Q930-R934 VanDerWaalsContact O-CB 3.31Å; Q930-R934 WeakPolarHBondContact O-CB 3.31Å; Q930-R934 PolarHBondContact O-N 3.42Å
931	I	73.3	Confident	66.6	Low	91 Å²	91	72 Å²	72	47%	0.467	39%	0.393	S	S	.	.	H	α-helix	trans	-63.6	-51.4	173.3	-67.3	165.3	0	0	0	110	A927 D928 I929 E933 R934 E935	A927-I931 WeakPolarHBondContact O-CG1 3.33Å; A927-I931 PolarHBondContact O-N 3.33Å; D928-I931 PolarHBondContact O-N 3.34Å; I929-I931 VanDerWaalsContact C-N 3.29Å; I929-I931 PolarHBondContact O-N 3.29Å; I931-E933 VanDerWaalsContact C-N 3.34Å; I931-E933 PolarHBondContact O-N 2.93Å; I931-R934 PolarHBondContact O-N 3.14Å; I931-E935 WeakPolarHBondContact O-CG 3.43Å; I931-E935 PolarHBondContact O-N 2.83Å
932	I	70.2	Confident	68.6	Low	26 Å²	26	69.5 Å²	69.5	13%	0.133	38%	0.376	C	S	.	.	H	α-helix	trans	-57.7	-45.2	178.3	-70	164.5	0	0	0	111.4	L836 R839 D928 I929 R934 E935 C936	L836-I932 HydrophobicContact CD2-CD1 4.36Å; R839-I932 HydrophobicContact CB-CG2 3.86Å; R839-I932 HydrophobicContact CG-CG2 4.02Å; D928-I932 WeakPolarHBondContact O-CD1 3.49Å; D928-I932 VanDerWaalsContact O-CG1 3.3Å; D928-I932 WeakPolarHBondContact O-CG1 3.47Å; D928-I932 PolarHBondContact O-N 3.39Å; D928-I932 VanDerWaalsContact O-N 3.08Å; I929-I932 PolarHBondContact O-N 2.91Å; I932-R934 PolarHBondContact O-N 3.23Å; I932-E935 PolarHBondContact O-N 3.37Å; I932-C936 WeakPolarHBondContact O-CB 3.44Å; I932-C936 PolarHBondContact O-N 2.94Å; I932-C936 PolarHBondContact O-SG 3.18Å
933	E	70.7	Confident	70.7	Confident	28 Å²	28	62.4 Å²	62.4	13%	0.131	34%	0.339	C	S	.	.	H	α-helix	trans	-64.3	-39.5	179.3	-74.3	170.2	-177.1	0	0	111.7	S835 I929 I931 C936 M937	S835-E933 PolarHBondContact OG-OE1 3.44Å; I929-E933 HydrophobicContact CG2-CG 4.49Å; I929-E933 WeakPolarHBondContact CG2-OE1 3.34Å; I929-E933 WeakPolarHBondContact O-CG 3.43Å; I929-E933 PolarHBondContact O-N 2.77Å; I931-E933 VanDerWaalsContact C-N 3.34Å; I931-E933 PolarHBondContact O-N 2.93Å; E933-C936 PolarHBondContact O-N 3.33Å; E933-M937 WeakPolarHBondContact O-CB 3.31Å; E933-M937 WeakPolarHBondContact O-CG 3.28Å; E933-M937 PolarHBondContact O-N 2.98Å
934	R	74.4	Confident	72.2	Confident	190 Å²	190	60.7 Å²	60.7	72%	0.717	32%	0.324	S	S	*	.	H	α-helix	trans	-66.9	-40.3	175.5	-171.7	175.5	-177.9	163.7	1.1	112.8	Q930 I931 I932 M937 G938	Q930-R934 VanDerWaalsContact O-CB 3.31Å; Q930-R934 WeakPolarHBondContact O-CB 3.31Å; Q930-R934 PolarHBondContact O-N 3.42Å; I931-R934 PolarHBondContact O-N 3.14Å; I932-R934 PolarHBondContact O-N 3.23Å; R934-M937 PolarHBondContact O-N 3.06Å; R934-G938 PolarHBondContact O-N 2.86Å
935	E	80.5	Confident	73.7	Confident	105 Å²	105	57.9 Å²	57.9	49%	0.491	31%	0.305	S	S	.	.	H	α-helix	trans	-63.4	-43.4	173.3	-73.2	-179.4	174.9	0	0	111.9	I931 I932 G938 T939	I931-E935 WeakPolarHBondContact O-CG 3.43Å; I931-E935 PolarHBondContact O-N 2.83Å; I932-E935 PolarHBondContact O-N 3.37Å; E935-G938 PolarHBondContact O-N 3.06Å; E935-T939 WeakPolarHBondContact O-CB 3.47Å; E935-T939 PolarHBondContact O-N 3.44Å; E935-T939 PolarHBondContact O-OG1 3.2Å
936	C	81.6	Confident	75	Confident	5 Å²	5	57.9 Å²	57.9	3%	0.034	29%	0.292	C	S	.	.	H	α-helix	trans	-63.4	-42	176.6	-67.8	0	0	0	0	111.2	F838 V842 I932 E933 T939 L940	F838-C936 HydrophobicContact CD1-CB 4.09Å; F838-C936 HydrophobicContact CE1-CB 3.7Å; V842-C936 HydrophobicContact CB-CB 4.5Å; V842-C936 HydrophobicContact CG1-CB 4.29Å; V842-C936 HydrophobicContact CG2-CB 4.25Å; I932-C936 WeakPolarHBondContact O-CB 3.44Å; I932-C936 PolarHBondContact O-N 2.94Å; I932-C936 PolarHBondContact O-SG 3.18Å; E933-C936 PolarHBondContact O-N 3.33Å; C936-T939 PolarHBondContact O-N 2.83Å; C936-L940 WeakPolarHBondContact O-CB 3.37Å; C936-L940 WeakPolarHBondContact O-CG 3.4Å; C936-L940 PolarHBondContact O-N 3.48Å
937	M	80	Confident	75.9	Confident	52 Å²	52	56.2 Å²	56.2	26%	0.256	28%	0.284	S	S	.	.	H	α-helix	trans	-61.8	-46.5	174.7	-79.5	-58.5	-65.9	0	0	112.8	I913 E933 R934 T939 L940 L941	I913-M937 HydrophobicContact CB-SD 4.44Å; I913-M937 HydrophobicContact CD1-CE 3.6Å; I913-M937 HydrophobicContact CD1-SD 3.31Å; I913-M937 WeakPolarHBondContact CD1-SD 3.24Å; I913-M937 HydrophobicContact CG1-SD 3.57Å; I913-M937 VanDerWaalsContact CG1-SD 3.57Å; I913-M937 HydrophobicContact CG2-SD 3.96Å; E933-M937 WeakPolarHBondContact O-CB 3.31Å; E933-M937 WeakPolarHBondContact O-CG 3.28Å; E933-M937 PolarHBondContact O-N 2.98Å; R934-M937 PolarHBondContact O-N 3.06Å; M937-T939 VanDerWaalsContact C-N 3.29Å; M937-T939 PolarHBondContact O-N 3.46Å; M937-L940 PolarHBondContact O-N 2.88Å; M937-L941 WeakPolarHBondContact O-CB 3.4Å; M937-L941 VanDerWaalsContact O-CG 3.28Å; M937-L941 WeakPolarHBondContact O-CG 3.44Å; M937-L941 PolarHBondContact O-N 3.4Å
938	G	82.6	Confident	76.4	Confident	41 Å²	41	61.2 Å²	61.2	42%	0.423	30%	0.299	S	S	.	.	H	α-helix	trans	-58	-43	174.7	0	0	0	0	0	112.1	R934 E935 Q942	R934-G938 PolarHBondContact O-N 2.86Å; E935-G938 PolarHBondContact O-N 3.06Å; G938-Q942 WeakPolarHBondContact O-CB 3.48Å; G938-Q942 PolarHBondContact O-N 3.36Å
939	T	83.5	Confident	75.7	Confident	31 Å²	31	62.2 Å²	62.2	19%	0.19	30%	0.304	C	S	.	.	H	α-helix	trans	-64.1	-46.8	176.8	-54.7	0	0	0	0	112	V842 K846 E935 C936 M937 L941 Q942 L943	V842-T939 HydrophobicContact CG1-CG2 3.78Å; K846-T939 HydrophobicContact CB-CG2 4.06Å; K846-T939 HydrophobicContact CD-CG2 3.84Å; K846-T939 HydrophobicContact CG-CG2 3.92Å; E935-T939 WeakPolarHBondContact O-CB 3.47Å; E935-T939 PolarHBondContact O-N 3.44Å; E935-T939 PolarHBondContact O-OG1 3.2Å; C936-T939 PolarHBondContact O-N 2.83Å; M937-T939 VanDerWaalsContact C-N 3.29Å; M937-T939 PolarHBondContact O-N 3.46Å; T939-L941 PolarHBondContact O-N 3.47Å; T939-Q942 PolarHBondContact O-N 2.85Å; T939-L943 HydrophobicContact CG2-CD1 4.1Å; T939-L943 HydrophobicContact CG2-CG 4.45Å; T939-L943 VanDerWaalsContact O-CG 3.29Å; T939-L943 WeakPolarHBondContact O-CG 3.42Å; T939-L943 PolarHBondContact O-N 3.09Å
940	L	84.3	Confident	76.2	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-64.9	-38.9	179.8	-75.7	171.6	0	0	0	112.5	F838 V842 L906 L909 L910 C936 M937 L943 R944	F838-L940 HydrophobicContact CE1-CD1 4.29Å; F838-L940 HydrophobicContact CZ-CD1 3.68Å; V842-L940 HydrophobicContact CG1-CD2 4.37Å; V842-L940 HydrophobicContact CG1-CG 4.11Å; V842-L940 HydrophobicContact CG2-CD1 3.94Å; V842-L940 HydrophobicContact CG2-CD2 4.08Å; V842-L940 HydrophobicContact CG2-CG 3.98Å; L906-L940 HydrophobicContact CD1-CD2 3.52Å; L909-L940 HydrophobicContact CB-CD1 4.2Å; L909-L940 HydrophobicContact CB-CD2 3.84Å; L909-L940 HydrophobicContact CD1-CD2 3.87Å; L910-L940 HydrophobicContact CD2-CB 3.86Å; L910-L940 HydrophobicContact CD2-CD1 4.34Å; C936-L940 WeakPolarHBondContact O-CB 3.37Å; C936-L940 WeakPolarHBondContact O-CG 3.4Å; C936-L940 PolarHBondContact O-N 3.48Å; M937-L940 PolarHBondContact O-N 2.88Å; L940-L943 PolarHBondContact O-N 3.45Å; L940-R944 VanDerWaalsContact O-CB 3.32Å; L940-R944 WeakPolarHBondContact O-CB 3.36Å; L940-R944 PolarHBondContact O-N 3.29Å
941	L	83.3	Confident	76.8	Confident	62 Å²	62	64.6 Å²	64.6	33%	0.325	32%	0.316	S	S	.	.	H	α-helix	trans	-64.9	-44.5	173.9	-68.9	171.5	0	0	0	111.1	M937 T939 L943 R944 D945	M937-L941 WeakPolarHBondContact O-CB 3.4Å; M937-L941 VanDerWaalsContact O-CG 3.28Å; M937-L941 WeakPolarHBondContact O-CG 3.44Å; M937-L941 PolarHBondContact O-N 3.4Å; T939-L941 PolarHBondContact O-N 3.47Å; L941-L943 PolarHBondContact O-N 2.99Å; L941-R944 VanDerWaalsContact CD2-NH1 3.33Å; L941-R944 WeakPolarHBondContact O-CB 3.36Å; L941-R944 PolarHBondContact O-N 2.83Å; L941-D945 WeakPolarHBondContact O-CB 3.47Å; L941-D945 PolarHBondContact O-N 2.75Å
942	Q	83.9	Confident	77	Confident	110 Å²	110	63.2 Å²	63.2	51%	0.514	31%	0.308	S	S	.	.	H	α-helix	trans	-59.5	-44.4	174.8	-172.3	-179.8	27.6	0	0	112	G938 T939 D945 L946	G938-Q942 WeakPolarHBondContact O-CB 3.48Å; G938-Q942 PolarHBondContact O-N 3.36Å; T939-Q942 PolarHBondContact O-N 2.85Å; Q942-D945 PolarHBondContact O-N 3.3Å; Q942-L946 HydrophobicContact CG-CD1 4.28Å; Q942-L946 WeakPolarHBondContact O-CB 3.03Å; Q942-L946 VanDerWaalsContact O-CG 3.27Å; Q942-L946 WeakPolarHBondContact O-CG 3.43Å; Q942-L946 PolarHBondContact O-N 2.73Å
943	L	82.9	Confident	77.4	Confident	3 Å²	3	65.4 Å²	65.4	2%	0.016	32%	0.318	C	S	.	.	H	α-helix	trans	-64.8	-38.2	176.4	-69.9	173.2	0	0	0	112.3	L845 K846 V849 L906 T939 L940 L941 L946 L947	L845-L943 HydrophobicContact CD2-CD1 4.37Å; L845-L943 HydrophobicContact CG-CD1 4.34Å; K846-L943 HydrophobicContact CB-CD1 4.23Å; K846-L943 HydrophobicContact CG-CD2 4.37Å; V849-L943 HydrophobicContact CB-CD2 3.67Å; V849-L943 HydrophobicContact CG1-CD2 3.66Å; V849-L943 HydrophobicContact CG2-CD2 4.07Å; L906-L943 HydrophobicContact CD1-CB 3.94Å; L906-L943 HydrophobicContact CD1-CD1 4.42Å; T939-L943 HydrophobicContact CG2-CD1 4.1Å; T939-L943 HydrophobicContact CG2-CG 4.45Å; T939-L943 VanDerWaalsContact O-CG 3.29Å; T939-L943 WeakPolarHBondContact O-CG 3.42Å; T939-L943 PolarHBondContact O-N 3.09Å; L940-L943 PolarHBondContact O-N 3.45Å; L941-L943 PolarHBondContact O-N 2.99Å; L943-L946 PolarHBondContact O-N 2.8Å; L943-L947 WeakPolarHBondContact O-CB 3.39Å; L943-L947 PolarHBondContact O-N 2.86Å; L943-L947 VanDerWaalsContact O-N 3.12Å
944	R	82.2	Confident	77.8	Confident	78 Å²	78	67.7 Å²	67.7	29%	0.294	33%	0.33	S	S	.	.	H	α-helix	trans	-63.5	-44.4	176	-175.3	-159.5	69.9	-170.1	-7	111.3	L906 L910 L940 L941 L946 L947 K948	L906-R944 VanDerWaalsContact CD2-CA 3.42Å; L906-R944 HydrophobicContact CD2-CB 3.78Å; L906-R944 HydrophobicContact CD2-CG 4.34Å; L910-R944 HydrophobicContact CD1-CB 4.49Å; L910-R944 HydrophobicContact CD1-CG 4.38Å; L940-R944 VanDerWaalsContact O-CB 3.32Å; L940-R944 WeakPolarHBondContact O-CB 3.36Å; L940-R944 PolarHBondContact O-N 3.29Å; L941-R944 VanDerWaalsContact CD2-NH1 3.33Å; L941-R944 WeakPolarHBondContact O-CB 3.36Å; L941-R944 PolarHBondContact O-N 2.83Å; R944-L946 VanDerWaalsContact C-N 3.31Å; R944-L947 PolarHBondContact O-N 2.96Å; R944-K948 HydrophobicContact CG-CD 4.2Å; R944-K948 WeakPolarHBondContact O-CB 3.5Å; R944-K948 WeakPolarHBondContact O-CG 3.27Å; R944-K948 PolarHBondContact O-N 3.23Å; R944-K948 VanDerWaalsContact O-N 3.07Å
945	D	81.1	Confident	78	Confident	68 Å²	68	59.5 Å²	59.5	36%	0.364	30%	0.304	S	S	.	.	H	α-helix	trans	-74.1	-27.4	-177	-61.3	-14.5	0	0	0	110.8	L941 Q942 N949	L941-D945 WeakPolarHBondContact O-CB 3.47Å; L941-D945 PolarHBondContact O-N 2.75Å; Q942-D945 PolarHBondContact O-N 3.3Å; D945-N949 PolarHBondContact O-ND2 3.37Å
946	L	79.1	Confident	77.9	Confident	52 Å²	52	56.3 Å²	56.3	27%	0.272	29%	0.291	S	S	.	.	H	α-helix	trans	-72.1	-20.9	168.1	-73.7	169.9	0	0	0	114.8	L857 Q942 L943 R944	L857-L946 WeakPolarHBondContact CB-O 3.41Å; Q942-L946 HydrophobicContact CG-CD1 4.28Å; Q942-L946 WeakPolarHBondContact O-CB 3.03Å; Q942-L946 VanDerWaalsContact O-CG 3.27Å; Q942-L946 WeakPolarHBondContact O-CG 3.43Å; Q942-L946 PolarHBondContact O-N 2.73Å; L943-L946 PolarHBondContact O-N 2.8Å; R944-L946 VanDerWaalsContact C-N 3.31Å
947	L	72.8	Confident	77.6	Confident	11 Å²	11	60.2 Å²	60.2	6%	0.058	31%	0.311	C	S	.	.	H	α-helix	trans	-104.6	-3.9	-178.1	-83.4	163.5	0	0	0	114	L857 L899 I902 K903 L906 L943 R944	L857-L947 HydrophobicContact CD2-CD2 3.77Å; L899-L947 HydrophobicContact CD2-CD2 3.97Å; I902-L947 HydrophobicContact CG2-CD1 4.02Å; K903-L947 WeakPolarHBondContact CE-O 3.49Å; K903-L947 HydrophobicContact CG-CB 4.5Å; K903-L947 HydrophobicContact CG-CD2 4.32Å; L906-L947 HydrophobicContact CD2-CD1 4.02Å; L943-L947 WeakPolarHBondContact O-CB 3.39Å; L943-L947 PolarHBondContact O-N 2.86Å; L943-L947 VanDerWaalsContact O-N 3.12Å; R944-L947 PolarHBondContact O-N 2.96Å
948	K	66.1	Low	77.4	Confident	145 Å²	145	60.9 Å²	60.9	63%	0.63	32%	0.315	S	S	*	.	H	α-helix	trans	-97.4	-28.8	176	-83.9	-175.1	171.1	-168.7	0	113.6	R944	R944-K948 HydrophobicContact CG-CD 4.2Å; R944-K948 WeakPolarHBondContact O-CB 3.5Å; R944-K948 WeakPolarHBondContact O-CG 3.27Å; R944-K948 PolarHBondContact O-N 3.23Å; R944-K948 VanDerWaalsContact O-N 3.07Å
949	N	46.8	Very low	76.9	Confident	130 Å²	130	62.7 Å²	62.7	70%	0.695	31%	0.305	S	S	*	.			trans	-86.9	0	171.7	-58.3	-41.5	0	0	0	108.2	K858 S859 D945	K858-N949 WeakPolarHBondContact CA-O 3.13Å; K858-N949 VanDerWaalsContact CA-OXT 3.3Å; K858-N949 WeakPolarHBondContact CA-OXT 3.04Å; S859-N949 PolarHBondContact N-O 3.49Å; D945-N949 PolarHBondContact O-ND2 3.37Å

Retrieved 949 of 949 residues in 976.5 ms (Link to these results)

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