A0A096NW85_PAPAN Loading...

Dual specificity protein kinase TTK

Involved in mitotic spindle assembly checkpoint signaling, a process that delays anaphase until chromosomes are bioriented on the spindle, and in the repair of incorrect mitotic kinetochore-spindle microtubule attachments. Phosphorylates MAD1L1 to promote the mitotic spindle assembly checkpoint. Phosphorylates CDCA8/Borealin leading to enhanced AURKB activity at the kinetochore. Phosphorylates SKA3 at 'Ser-34' leading to dissociation of the SKA complex from microtubules and destabilization of microtubule-kinetochore attachments. Phosphorylates KNL1, KNTC1 and autophosphorylates. Phosphorylates MCRS1 which enhances recruitment of KIF2A to the minus end of spindle microtubules and promotes chromosome alignment.

AlphaFold DB , UniProt , Accession A0A096NW85, Species PAPAN (Papio anubis, Olive baboon), Gene TTK, Length 857 aa.

						>A0A096NW85_PAPAN|A0A096NW85|TTK
MESEDLSGRELTIDSIMNKVRDIKNKFKNEDLTDELSLNKISADTTDNSGTVNQIMMMANSPEDWLSLLLKLEKNSVPLSDALLNKLIGRYSQAIEALPPDKYGQNESFARIQVRFAELKAIQEPDDARDYFQMARANCKKFAFVHISFAQFELSQGNVKKSKQLLQKAVERGAVPLEMLEIALRNLNLQKKQLLSEEEKKTLSASMVLTAQESFSSSLGHLQNRNNSCDSRGQTTKARFLYGENMPPQDAEIGYRNSLKQTNKTKQSCPFGRVPLNLLNSPDCDVKTDDSVVPCFIKRQTSRSECRDLVVAGSKPSGNDSCELRNLKSVQNIHCKEPLVSDEKSSELIITDSVTLKNKTESSLRAKLEETKEYQEPEVPESNQKQWQSKRKSACINQNPVASSNQWQIPELARKVNIEQKHTTFEQPVFSVSKQSPPMSASKWFDPKSICKTPSSNTLDDYMSCFRTPVVKNDFPPACQLSTPYGQPACFQQQQQQIPATPLQNLQVLASSSANECISVKGRIYSILKQIGSGGSSKVFQVLNEKKQIYAIKFVNLEEADNQTLDSYRNEIAYLNKLQQHSDKIIRLYDYEITDQYIYMVMECGNIDLNSWLKKKKSIDPWERKSYWKNMLEAVHTIHQHGIVHSDLKPANFLIVDGMLKLIDFGIANQMQPDTTSIVKDSQVGTVNYMPPEAIKDMSSSRENGKSKSKISPKSDVWSLGCILYYMTYGKTPFQHIINQISKLHAIIDPNHEIEFPDIPEKDLQDVLKCCLKRDPKQRISIPELLAHPYVQIQTHPGNQMAKGTTEEMKYVLGQLVGLNSPNSILKAAKTLYEHYSGGESHNSSSSKTFGKKREKK
					

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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	31.9	Very low	34.1	Very low	208 Å²	208	151.1 Å²	151.1	100%	1.025	79%	0.792	S	S	*	*				0	119.7	0	-52.7	-176.8	78.6	0	0	108.3
2	E	34.5	Very low	34.8	Very low	144 Å²	144	146 Å²	146	67%	0.673	77%	0.772	S	S	*	*			cis	-162.9	162.3	-7.1	-140.8	102.3	-96.8	0	0	111.8
3	S	35.5	Very low	35.3	Very low	79 Å²	79	144.8 Å²	144.8	55%	0.552	76%	0.764	S	S	*	*			trans	25	118.7	145	65.4	0	0	0	0	120.5
4	E	40.1	Very low	35.3	Very low	185 Å²	185	141.6 Å²	141.6	86%	0.864	75%	0.748	S	S	*	*				95	158.1	89	-78.7	169.5	-161.9	0	0	113
5	D	39.5	Very low	35.5	Very low	136 Å²	136	136.5 Å²	136.5	73%	0.727	73%	0.728	S	S	*	*			cis	-166	177.4	-31.5	-169.5	17.7	0	0	0	109.2
6	L	35.3	Very low	36.2	Very low	138 Å²	138	135.1 Å²	135.1	72%	0.723	72%	0.719	S	S	*	*			trans	76.4	119.2	156.7	-59.6	-175.6	0	0	0	122.4
7	S	29.1	Very low	36.5	Very low	122 Å²	122	133.4 Å²	133.4	85%	0.853	71%	0.708	S	S	*	*				103.7	128.4	127.6	78.4	0	0	0	0	121.7
8	G	28.3	Very low	36.6	Very low	72 Å²	72	129.9 Å²	129.9	74%	0.742	69%	0.69	S	S	*	*				97	74.2	116.4	0	0	0	0	0	119.8
9	R	32.5	Very low	37	Very low	253 Å²	253	130.3 Å²	130.3	96%	0.955	69%	0.685	S	S	*	*			trans	-142.1	117.9	142.5	-70.2	-162.2	178.3	-178.7	0.1	111.5
10	E	32.7	Very low	37.5	Very low	183 Å²	183	127.9 Å²	127.9	86%	0.855	68%	0.675	S	S	*	*			trans	-71	161	171.9	-65.9	169.6	101.5	0	0	111.5
11	L	36	Very low	37.7	Very low	142 Å²	142	128.3 Å²	128.3	74%	0.743	67%	0.668	S	S	*	*			trans	-125.7	100.6	167.9	-72.2	173.7	0	0	0	108.4
12	T	41.8	Very low	38	Very low	90 Å²	90	123.4 Å²	123.4	55%	0.552	65%	0.646	S	S	*	*			trans	-69.8	166.6	-175.8	45.2	0	0	0	0	113.8	D14 S15	T12-D14 PolarHBondContact O-N 2.74Å; T12-D14 PolarHBondContact OG1-OD2 2.73Å; T12-D14 VanDerWaalsContact OG1-OD2 3.06Å; T12-S15 WeakPolarHBondContact O-CB 3.3Å; T12-S15 PolarHBondContact O-N 3.07Å
13	I	42.4	Very low	38.6	Very low	130 Å²	130	121.5 Å²	121.5	67%	0.667	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.3	-27.3	-177.4	-64.7	167.5	0	0	0	112.9	S15 I16 M17	I13-S15 PolarHBondContact O-N 2.74Å; I13-S15 VanDerWaalsContact O-N 3.14Å; I13-I16 WeakPolarHBondContact O-CA 3.34Å; I13-I16 WeakPolarHBondContact O-CB 3.48Å; I13-I16 PolarHBondContact O-N 3.04Å; I13-M17 HydrophobicContact CG2-CG 4.22Å; I13-M17 PolarHBondContact O-N 2.71Å; I13-M17 VanDerWaalsContact O-N 3.11Å
14	D	35	Very low	38.7	Very low	101 Å²	101	122.9 Å²	122.9	54%	0.54	64%	0.635	S	S	.	*	H	α-helix	trans	-53.8	-33	175.6	-53.4	-69.8	0	0	0	113.8	T12 I16 M17 N18	T12-D14 PolarHBondContact O-N 2.74Å; T12-D14 PolarHBondContact OG1-OD2 2.73Å; T12-D14 VanDerWaalsContact OG1-OD2 3.06Å; D14-I16 PolarHBondContact O-N 2.98Å; D14-M17 PolarHBondContact O-N 2.96Å; D14-N18 WeakPolarHBondContact O-CB 3.38Å; D14-N18 VanDerWaalsContact O-CG 3.23Å; D14-N18 PolarHBondContact O-N 3.41Å; D14-N18 PolarHBondContact O-ND2 2.89Å
15	S	38.4	Very low	38.5	Very low	65 Å²	65	119.3 Å²	119.3	46%	0.455	62%	0.622	S	S	.	*	H	α-helix	trans	-64.2	-30.2	176.9	-166.2	0	0	0	0	112.5	T12 I13	T12-S15 WeakPolarHBondContact O-CB 3.3Å; T12-S15 PolarHBondContact O-N 3.07Å; I13-S15 PolarHBondContact O-N 2.74Å; I13-S15 VanDerWaalsContact O-N 3.14Å
16	I	46.3	Very low	38.4	Very low	113 Å²	113	121.5 Å²	121.5	58%	0.579	63%	0.625	S	S	*	*	H	α-helix	trans	-79.7	-44.9	174.2	-56.8	176	0	0	0	109.6	I13 D14 N18 K19 V20	I13-I16 WeakPolarHBondContact O-CA 3.34Å; I13-I16 WeakPolarHBondContact O-CB 3.48Å; I13-I16 PolarHBondContact O-N 3.04Å; D14-I16 PolarHBondContact O-N 2.98Å; I16-N18 VanDerWaalsContact C-N 3.29Å; I16-N18 PolarHBondContact O-N 3.2Å; I16-K19 PolarHBondContact O-N 3.28Å; I16-K19 VanDerWaalsContact O-N 3.1Å; I16-V20 PolarHBondContact O-N 3.28Å; I16-V20 VanDerWaalsContact O-N 3.17Å
17	M	40.7	Very low	38.6	Very low	106 Å²	106	123.1 Å²	123.1	52%	0.522	63%	0.626	S	S	.	*	H	α-helix	trans	-62.4	-33.4	180	-66.4	-64	-85.1	0	0	113.2	I13 D14 V20 R21	I13-M17 HydrophobicContact CG2-CG 4.22Å; I13-M17 PolarHBondContact O-N 2.71Å; I13-M17 VanDerWaalsContact O-N 3.11Å; D14-M17 PolarHBondContact O-N 2.96Å; M17-V20 PolarHBondContact O-N 2.84Å; M17-R21 PolarHBondContact O-N 2.92Å; M17-R21 VanDerWaalsContact O-N 3.15Å
18	N	38.8	Very low	38.7	Very low	72 Å²	72	125.2 Å²	125.2	39%	0.385	62%	0.62	S	S	.	*	H	α-helix	trans	-64.3	-42.7	173.2	-72.1	-20.2	0	0	0	111.8	D14 I16 V20 R21 D22	D14-N18 WeakPolarHBondContact O-CB 3.38Å; D14-N18 VanDerWaalsContact O-CG 3.23Å; D14-N18 PolarHBondContact O-N 3.41Å; D14-N18 PolarHBondContact O-ND2 2.89Å; I16-N18 VanDerWaalsContact C-N 3.29Å; I16-N18 PolarHBondContact O-N 3.2Å; N18-V20 VanDerWaalsContact C-N 3.34Å; N18-V20 PolarHBondContact O-N 2.95Å; N18-R21 WeakPolarHBondContact O-CA 3.32Å; N18-R21 VanDerWaalsContact O-CB 3.27Å; N18-R21 WeakPolarHBondContact O-CB 2.96Å; N18-R21 PolarHBondContact O-N 3.45Å; N18-R21 VanDerWaalsContact OD1-CZ 3.26Å; N18-R21 PolarHBondContact OD1-NH1 3.22Å; N18-R21 PolarHBondContact OD1-NH2 2.78Å; N18-D22 PolarHBondContact O-N 2.86Å
19	K	45.2	Very low	39	Very low	137 Å²	137	128.9 Å²	128.9	60%	0.596	62%	0.623	S	S	*	*	H	α-helix	trans	-63.9	-36.6	176.3	-72.1	-174.3	173.9	-171.9	0	113.2	I16 R21 D22 I23	I16-K19 PolarHBondContact O-N 3.28Å; I16-K19 VanDerWaalsContact O-N 3.1Å; K19-R21 PolarHBondContact O-N 2.95Å; K19-D22 PolarHBondContact O-N 3.44Å; K19-I23 WeakPolarHBondContact O-CG1 3.41Å; K19-I23 PolarHBondContact O-N 2.96Å; K19-I23 VanDerWaalsContact O-N 3.15Å
20	V	45.6	Very low	39	Very low	82 Å²	82	126.3 Å²	126.3	50%	0.497	62%	0.622	S	S	.	*	H	α-helix	trans	-63.3	-34.7	173	177.5	0	0	0	0	110.8	I16 M17 N18 K24	I16-V20 PolarHBondContact O-N 3.28Å; I16-V20 VanDerWaalsContact O-N 3.17Å; M17-V20 PolarHBondContact O-N 2.84Å; N18-V20 VanDerWaalsContact C-N 3.34Å; N18-V20 PolarHBondContact O-N 2.95Å; V20-K24 PolarHBondContact O-N 3.32Å
21	R	41.4	Very low	39.1	Very low	137 Å²	137	124.7 Å²	124.7	52%	0.517	62%	0.619	S	S	.	*	H	α-helix	trans	-69.2	-37.9	175.8	-152.9	-178.2	-55.7	116.2	9.6	112.8	M17 N18 K19 K24 N25	M17-R21 PolarHBondContact O-N 2.92Å; M17-R21 VanDerWaalsContact O-N 3.15Å; N18-R21 WeakPolarHBondContact O-CA 3.32Å; N18-R21 VanDerWaalsContact O-CB 3.27Å; N18-R21 WeakPolarHBondContact O-CB 2.96Å; N18-R21 PolarHBondContact O-N 3.45Å; N18-R21 VanDerWaalsContact OD1-CZ 3.26Å; N18-R21 PolarHBondContact OD1-NH1 3.22Å; N18-R21 PolarHBondContact OD1-NH2 2.78Å; K19-R21 PolarHBondContact O-N 2.95Å; R21-K24 WeakPolarHBondContact O-CB 3.38Å; R21-K24 PolarHBondContact O-N 3.26Å; R21-N25 PolarHBondContact O-N 3.47Å
22	D	38.9	Very low	38.9	Very low	105 Å²	105	124.8 Å²	124.8	56%	0.561	62%	0.619	S	S	*	*	H	α-helix	trans	-67.5	-39.5	176.6	-67.2	-28.6	0	0	0	112.2	N18 K19 K24 N25 K26	N18-D22 PolarHBondContact O-N 2.86Å; K19-D22 PolarHBondContact O-N 3.44Å; D22-K24 VanDerWaalsContact C-N 3.31Å; D22-K24 PolarHBondContact O-N 3.18Å; D22-N25 PolarHBondContact O-N 3.49Å; D22-K26 PolarHBondContact O-N 3.11Å
23	I	47.7	Very low	38.2	Very low	104 Å²	104	125.6 Å²	125.6	53%	0.533	62%	0.624	S	S	.	*	H	α-helix	trans	-61.4	-40.8	173.8	-66.2	166	0	0	0	110.7	K19 N25 K26	K19-I23 WeakPolarHBondContact O-CG1 3.41Å; K19-I23 PolarHBondContact O-N 2.96Å; K19-I23 VanDerWaalsContact O-N 3.15Å; I23-N25 PolarHBondContact O-N 2.88Å; I23-K26 PolarHBondContact O-N 2.99Å
24	K	37.4	Very low	37.6	Very low	108 Å²	108	126.1 Å²	126.1	47%	0.47	63%	0.628	S	S	.	*	H	α-helix	trans	-60.7	-29.6	177.2	-176.7	176.5	178.9	175.4	0	113.4	V20 R21 D22 V77	V20-K24 PolarHBondContact O-N 3.32Å; R21-K24 WeakPolarHBondContact O-CB 3.38Å; R21-K24 PolarHBondContact O-N 3.26Å; D22-K24 VanDerWaalsContact C-N 3.31Å; D22-K24 PolarHBondContact O-N 3.18Å; K24-V77 HydrophobicContact CD-CG1 4.26Å
25	N	36.1	Very low	37.4	Very low	109 Å²	109	128.8 Å²	128.8	58%	0.583	64%	0.637	S	S	*	*	H	α-helix	trans	-84	-25.2	178	-70.7	-19.8	0	0	0	113.1	R21 D22 I23 F27	R21-N25 PolarHBondContact O-N 3.47Å; D22-N25 PolarHBondContact O-N 3.49Å; I23-N25 PolarHBondContact O-N 2.88Å; N25-F27 VanDerWaalsContact C-N 3.34Å; N25-F27 PolarHBondContact O-N 3.14Å
26	K	36.5	Very low	36.9	Very low	183 Å²	183	132.1 Å²	132.1	80%	0.796	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	-6.6	-172	-132.7	175.5	-175.6	178.8	0	115.5	D22 I23	D22-K26 PolarHBondContact O-N 3.11Å; I23-K26 PolarHBondContact O-N 2.99Å
27	F	39.7	Very low	36	Very low	172 Å²	172	132 Å²	132	75%	0.754	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.1	26.9	-179.2	-79.4	-78.3	0	0	0	113.1	N25	N25-F27 VanDerWaalsContact C-N 3.34Å; N25-F27 PolarHBondContact O-N 3.14Å
28	K	31.8	Very low	35.4	Very low	165 Å²	165	135 Å²	135	72%	0.717	68%	0.676	S	S	*	*	S	Bend	trans	-104	-4.6	-171.7	-135.3	-172	178.4	-163	0	115.6
29	N	33.8	Very low	34.9	Very low	149 Å²	149	139.7 Å²	139.7	80%	0.797	70%	0.701	S	S	*	*			trans	-130.7	78.2	-173.1	-66.1	22.6	0	0	0	111.3
30	E	33.5	Very low	34.3	Very low	200 Å²	200	142.8 Å²	142.8	94%	0.935	71%	0.714	S	S	*	*			trans	-163.3	132	155.4	-112.6	162.3	-147.1	0	0	106.4
31	D	33.7	Very low	33.6	Very low	149 Å²	149	147 Å²	147	80%	0.797	73%	0.732	S	S	*	*			trans	-108.8	174.9	-146.9	-127.9	-26	0	0	0	115.7
32	L	31.6	Very low	33	Very low	143 Å²	143	145.5 Å²	145.5	75%	0.749	74%	0.743	S	S	*	*			trans	-24	160.7	165.2	-63.3	157.9	0	0	0	117.7
33	T	27.2	Very low	32.9	Very low	107 Å²	107	145.2 Å²	145.2	66%	0.656	76%	0.755	S	S	*	*			cis	-161.3	175	35.1	-22.7	0	0	0	0	112.3
34	D	31.3	Very low	31.9	Very low	142 Å²	142	147.1 Å²	147.1	76%	0.759	77%	0.766	S	S	*	*			trans	64.2	142.6	155.4	-55.4	-23.3	0	0	0	120.9
35	E	29.6	Very low	31.6	Very low	156 Å²	156	147.1 Å²	147.1	73%	0.729	78%	0.776	S	S	*	*			cis	-156.7	170.6	-30	-138.4	-153.3	151.1	0	0	110.7
36	L	28.3	Very low	31.6	Very low	136 Å²	136	148.2 Å²	148.2	71%	0.712	79%	0.787	S	S	*	*			trans	43.3	101.8	157.5	-66.2	166.7	0	0	0	120.8
37	S	27.1	Very low	31.7	Very low	110 Å²	110	145.9 Å²	145.9	77%	0.769	78%	0.783	S	S	*	*				177.2	168.4	91.3	49.2	0	0	0	0	112.8
38	L	28.6	Very low	32	Very low	169 Å²	169	141.5 Å²	141.5	89%	0.885	77%	0.767	S	S	*	*			trans	65.4	38.8	175.4	-59.6	177.6	0	0	0	118.1
39	N	28.5	Very low	32.9	Very low	170 Å²	170	135.7 Å²	135.7	91%	0.909	75%	0.748	S	S	*	*			trans	-105.7	90.5	158.5	-98.8	-23.4	0	0	0	111
40	K	32.5	Very low	33.4	Very low	202 Å²	202	130.8 Å²	130.8	88%	0.878	73%	0.732	S	S	*	*			trans	-156.9	65.9	167.3	-153.8	175.4	-174.3	177.6	0	115.2
41	I	30.5	Very low	34.4	Very low	170 Å²	170	125.1 Å²	125.1	87%	0.872	71%	0.711	S	S	*	*			trans	-131	134.5	143.6	-81.5	102.9	0	0	0	106.5
42	S	28.8	Very low	35.1	Very low	107 Å²	107	118.8 Å²	118.8	75%	0.748	68%	0.678	S	S	*	*			trans	-77.6	159.1	-177.6	46.4	0	0	0	0	112.3	D44	S42-D44 PolarHBondContact O-N 2.73Å
43	A	36.8	Very low	36.2	Very low	98 Å²	98	115.5 Å²	115.5	81%	0.81	66%	0.661	S	S	*	*			trans	-66.7	120.9	163.2	0	0	0	0	0	109.4
44	D	25.9	Very low	37.2	Very low	144 Å²	144	116.9 Å²	116.9	77%	0.77	66%	0.66	S	S	*	*				-159.5	164.8	113.5	-128.7	-37	0	0	0	112.2	S42	S42-D44 PolarHBondContact O-N 2.73Å
45	T	32	Very low	38.2	Very low	109 Å²	109	111.8 Å²	111.8	67%	0.669	63%	0.632	S	S	*	*	S	Bend	trans	29.4	118.1	164	58.1	0	0	0	0	120.6
46	T	36.5	Very low	39.2	Very low	132 Å²	132	110.1 Å²	110.1	81%	0.81	63%	0.626	S	S	*	*	S	Bend	trans	47.7	69.3	146.4	57.1	0	0	0	0	118.8
47	D	39.2	Very low	40.2	Very low	134 Å²	134	110.6 Å²	110.6	72%	0.717	63%	0.626	S	S	*	*				-172.4	105.5	113.1	-119.2	-20	0	0	0	115.1	S49	D47-S49 PolarHBondContact O-N 2.88Å
48	N	44.1	Very low	41	Very low	79 Å²	79	112.5 Å²	112.5	42%	0.422	63%	0.625	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.9	29.2	163.5	-63	85.7	0	0	0	111.6	K86 R90	N48-K86 PolarHBondContact OD1-NZ 3.48Å; N48-R90 PolarHBondContact O-NH1 3.12Å; N48-R90 PolarHBondContact O-NH2 3.44Å
49	S	51.6	Low	42.1	Very low	44 Å²	44	105.1 Å²	105.1	31%	0.308	59%	0.588	S	S	.	*	H	α-helix	trans	-82.4	-44.6	178.3	-174.7	0	0	0	0	110.9	D47 T51 V52 N53	D47-S49 PolarHBondContact O-N 2.88Å; S49-T51 PolarHBondContact O-N 3.17Å; S49-V52 PolarHBondContact O-N 2.91Å; S49-N53 PolarHBondContact O-N 3.15Å; S49-N53 PolarHBondContact O-ND2 3.37Å; S49-N53 PolarHBondContact OG-ND2 2.83Å; S49-N53 VanDerWaalsContact OG-ND2 3.16Å
50	G	45.3	Very low	43.7	Very low	45 Å²	45	103.4 Å²	103.4	46%	0.464	58%	0.579	S	S	.	*	H	α-helix	trans	-53.3	-48.1	-178.5	0	0	0	0	0	113.9	V52 N53 Q54	G50-V52 PolarHBondContact O-N 2.87Å; G50-N53 PolarHBondContact O-N 3.03Å; G50-Q54 WeakPolarHBondContact O-CB 3.43Å; G50-Q54 PolarHBondContact O-N 2.85Å
51	T	52.7	Low	46.1	Very low	81 Å²	81	95.1 Å²	95.1	50%	0.497	55%	0.546	S	S	.	.	H	α-helix	trans	-63	-38.6	-178.9	-35.3	0	0	0	0	113	S49 I55	S49-T51 PolarHBondContact O-N 3.17Å; T51-I55 HydrophobicContact CG2-CD1 4.38Å; T51-I55 WeakPolarHBondContact O-CB 3.35Å; T51-I55 VanDerWaalsContact O-CG1 3.26Å; T51-I55 WeakPolarHBondContact O-CG1 3.48Å; T51-I55 PolarHBondContact O-N 3.01Å
52	V	49.7	Very low	48.9	Very low	16 Å²	16	87 Å²	87	10%	0.097	51%	0.505	C	S	.	.	H	α-helix	trans	-77.7	-36.5	178.6	159.8	0	0	0	0	111.5	S49 G50 Q54 I55 M56 W65	S49-V52 PolarHBondContact O-N 2.91Å; G50-V52 PolarHBondContact O-N 2.87Å; V52-Q54 VanDerWaalsContact C-N 3.28Å; V52-Q54 PolarHBondContact O-N 3.24Å; V52-I55 PolarHBondContact O-N 3.23Å; V52-M56 WeakPolarHBondContact O-CB 3.35Å; V52-M56 PolarHBondContact O-N 3.39Å; V52-W65 HydrophobicContact CG1-CH2 4.33Å
53	N	53.3	Low	51.8	Low	74 Å²	74	85.9 Å²	85.9	40%	0.396	49%	0.488	S	S	.	.	H	α-helix	trans	-63.4	-36.5	171.9	-69.2	-26.7	0	0	0	111.7	S49 G50 M56 M57	S49-N53 PolarHBondContact O-N 3.15Å; S49-N53 PolarHBondContact O-ND2 3.37Å; S49-N53 PolarHBondContact OG-ND2 2.83Å; S49-N53 VanDerWaalsContact OG-ND2 3.16Å; G50-N53 PolarHBondContact O-N 3.03Å; N53-M56 PolarHBondContact O-N 2.95Å; N53-M57 WeakPolarHBondContact O-CG 3.32Å; N53-M57 PolarHBondContact O-N 2.8Å; N53-M57 VanDerWaalsContact O-N 3.14Å
54	Q	48.2	Very low	54.1	Low	137 Å²	137	85.1 Å²	85.1	64%	0.64	47%	0.47	S	S	*	.	H	α-helix	trans	-71.6	-33.9	176	-166.1	163	7.9	0	0	112.4	G50 V52 M57 M58	G50-Q54 WeakPolarHBondContact O-CB 3.43Å; G50-Q54 PolarHBondContact O-N 2.85Å; V52-Q54 VanDerWaalsContact C-N 3.28Å; V52-Q54 PolarHBondContact O-N 3.24Å; Q54-M57 PolarHBondContact O-N 3.06Å; Q54-M58 WeakPolarHBondContact O-CB 3.36Å; Q54-M58 WeakPolarHBondContact O-CG 3.31Å; Q54-M58 PolarHBondContact O-N 3.05Å
55	I	52.4	Low	57	Low	34 Å²	34	78.8 Å²	78.8	17%	0.174	44%	0.435	C	S	.	.	H	α-helix	trans	-70.3	-40.1	171.8	-73	173	0	0	0	111.1	T51 V52 M57 M58 A59 W65 L68	T51-I55 HydrophobicContact CG2-CD1 4.38Å; T51-I55 WeakPolarHBondContact O-CB 3.35Å; T51-I55 VanDerWaalsContact O-CG1 3.26Å; T51-I55 WeakPolarHBondContact O-CG1 3.48Å; T51-I55 PolarHBondContact O-N 3.01Å; V52-I55 PolarHBondContact O-N 3.23Å; I55-M57 PolarHBondContact O-N 3.46Å; I55-M57 VanDerWaalsContact O-N 3.15Å; I55-M58 PolarHBondContact O-N 3.14Å; I55-A59 HydrophobicContact CG2-CB 3.87Å; I55-A59 PolarHBondContact O-N 3.35Å; I55-W65 HydrophobicContact CG2-CZ2 4.25Å; I55-L68 HydrophobicContact CD1-CD1 3.89Å; I55-L68 HydrophobicContact CD1-CD2 3.67Å; I55-L68 HydrophobicContact CD1-CG 4.3Å
56	M	51.8	Low	59.7	Low	122 Å²	122	74.6 Å²	74.6	60%	0.601	41%	0.409	S	S	*	.	H	α-helix	trans	-61.5	-20	171.7	-172.7	173.9	65.4	0	0	113.1	V52 N53	V52-M56 WeakPolarHBondContact O-CB 3.35Å; V52-M56 PolarHBondContact O-N 3.39Å; N53-M56 PolarHBondContact O-N 2.95Å
57	M	48.2	Very low	62	Low	145 Å²	145	70.9 Å²	70.9	71%	0.714	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-8.3	174.2	-68.5	-75.5	174.2	0	0	114.1	N53 Q54 I55	N53-M57 WeakPolarHBondContact O-CG 3.32Å; N53-M57 PolarHBondContact O-N 2.8Å; N53-M57 VanDerWaalsContact O-N 3.14Å; Q54-M57 PolarHBondContact O-N 3.06Å; I55-M57 PolarHBondContact O-N 3.46Å; I55-M57 VanDerWaalsContact O-N 3.15Å
58	M	44.9	Very low	64.1	Low	151 Å²	151	66.1 Å²	66.1	74%	0.744	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.6	-31.2	-169.3	-64.9	-86.4	85.7	0	0	115.1	Q54 I55	Q54-M58 WeakPolarHBondContact O-CB 3.36Å; Q54-M58 WeakPolarHBondContact O-CG 3.31Å; Q54-M58 PolarHBondContact O-N 3.05Å; I55-M58 PolarHBondContact O-N 3.14Å
59	A	50.9	Low	66.2	Low	14 Å²	14	62.3 Å²	62.3	12%	0.116	34%	0.342	C	S	.	.			trans	-116.1	112.4	-169.3	0	0	0	0	0	112.4	I55 D64	I55-A59 HydrophobicContact CG2-CB 3.87Å; I55-A59 PolarHBondContact O-N 3.35Å; A59-D64 HydrophobicContact CB-CB 3.87Å
60	N	63.2	Low	67.8	Low	134 Å²	134	64.5 Å²	64.5	72%	0.717	35%	0.35	S	S	*	.			trans	-108.7	21.6	175.7	-73.2	-75	0	0	0	112.5	Y103	N60-Y103 PolarHBondContact O-OH 2.73Å
61	S	83.1	Confident	69.5	Low	27 Å²	27	68.3 Å²	68.3	19%	0.189	35%	0.354	C	S	.	.			trans	-116.1	141.2	179.6	88	0	0	0	0	112.7	E63 D64	S61-E63 PolarHBondContact O-N 2.84Å; S61-E63 PolarHBondContact OG-N 3.48Å; S61-D64 PolarHBondContact OG-N 2.96Å; S61-D64 PolarHBondContact OG-OD2 3.25Å
62	P	88.3	Confident	70.9	Confident	1 Å²	1	67 Å²	67	1%	0.006	34%	0.343	C	S	.	.	H	α-helix	trans	-62.3	-26	168	-25.3	35.8	0	0	0	114	W65 L66 L98 Y103 N106 F109	P62-W65 PolarHBondContact O-N 2.91Å; P62-L66 WeakPolarHBondContact O-CB 3.42Å; P62-L66 PolarHBondContact O-N 3.24Å; P62-L98 HydrophobicContact CB-CD1 4.02Å; P62-L98 HydrophobicContact CG-CD1 4.2Å; P62-L98 HydrophobicContact CG-CD2 4.07Å; P62-Y103 HydrophobicContact CG-CD1 3.32Å; P62-Y103 HydrophobicContact CG-CD2 4.38Å; P62-Y103 HydrophobicContact CG-CE1 3.8Å; P62-Y103 HydrophobicContact CG-CG 3.65Å; P62-N106 WeakPolarHBondContact CB-OD1 3.17Å; P62-F109 HydrophobicContact CB-CB 3.91Å; P62-F109 HydrophobicContact CG-CB 4.05Å
63	E	89.6	Confident	72.5	Confident	82 Å²	82	67.4 Å²	67.4	38%	0.383	34%	0.344	S	S	.	.	H	α-helix	trans	-61.8	-47.8	177.9	-72.3	55.5	-126.4	0	0	111.7	S61 L66 S67 N106 S108	S61-E63 PolarHBondContact O-N 2.84Å; S61-E63 PolarHBondContact OG-N 3.48Å; E63-L66 PolarHBondContact O-N 2.88Å; E63-S67 WeakPolarHBondContact O-CB 3.4Å; E63-S67 PolarHBondContact O-N 3.22Å; E63-N106 PolarHBondContact OE1-ND2 2.71Å; E63-N106 PolarHBondContact OE1-OD1 3.01Å; E63-N106 PolarHBondContact OE2-ND2 3.1Å; E63-S108 WeakPolarHBondContact OE1-CB 3.47Å; E63-S108 PolarHBondContact OE1-OG 3.49Å
64	D	85.1	Confident	73.7	Confident	83 Å²	83	72.2 Å²	72.2	44%	0.444	36%	0.362	S	S	.	.	H	α-helix	trans	-62.8	-44.2	178.6	-64.7	-49.7	0	0	0	111.1	A59 S61 S67 L68	A59-D64 HydrophobicContact CB-CB 3.87Å; S61-D64 PolarHBondContact OG-N 2.96Å; S61-D64 PolarHBondContact OG-OD2 3.25Å; D64-S67 WeakPolarHBondContact O-CB 3.4Å; D64-S67 PolarHBondContact O-N 2.89Å; D64-L68 PolarHBondContact O-N 2.99Å
65	W	86.4	Confident	74.7	Confident	10 Å²	10	72.1 Å²	72.1	4%	0.038	37%	0.366	C	S	.	.	H	α-helix	trans	-61.9	-46.1	176.2	-83.4	101.9	0	0	0	111.9	V52 I55 P62 S67 L68 L69 A94 A97 L98 I112	V52-W65 HydrophobicContact CG1-CH2 4.33Å; I55-W65 HydrophobicContact CG2-CZ2 4.25Å; P62-W65 PolarHBondContact O-N 2.91Å; W65-S67 VanDerWaalsContact C-N 3.35Å; W65-S67 PolarHBondContact O-N 3.41Å; W65-L68 HydrophobicContact CE3-CD2 4.44Å; W65-L68 HydrophobicContact CZ3-CD2 4.5Å; W65-L68 PolarHBondContact O-N 2.97Å; W65-L69 WeakPolarHBondContact O-CB 3.44Å; W65-L69 WeakPolarHBondContact O-CD1 3.4Å; W65-L69 WeakPolarHBondContact O-CG 3.35Å; W65-L69 PolarHBondContact O-N 2.6Å; W65-A94 HydrophobicContact CD2-CB 3.85Å; W65-A94 HydrophobicContact CE3-CB 3.38Å; W65-A94 HydrophobicContact CG-CB 4.36Å; W65-A94 HydrophobicContact CZ3-CB 3.81Å; W65-A97 HydrophobicContact CZ2-CB 3.87Å; W65-L98 HydrophobicContact CB-CD1 4.16Å; W65-L98 HydrophobicContact CG-CD1 4.14Å; W65-I112 HydrophobicContact CB-CD1 3.86Å
66	L	89.2	Confident	75.2	Confident	22 Å²	22	71.5 Å²	71.5	12%	0.115	37%	0.365	C	S	.	.	H	α-helix	trans	-63.5	-41.5	177.3	-178.8	60.8	0	0	0	111.4	P62 E63 L68 L69 L70 R111 I112	P62-L66 WeakPolarHBondContact O-CB 3.42Å; P62-L66 PolarHBondContact O-N 3.24Å; E63-L66 PolarHBondContact O-N 2.88Å; L66-L68 PolarHBondContact O-N 2.92Å; L66-L69 PolarHBondContact O-N 2.84Å; L66-L70 HydrophobicContact CD1-CD1 3.86Å; L66-L70 HydrophobicContact CD1-CG 3.94Å; L66-L70 HydrophobicContact CG-CD1 3.88Å; L66-L70 HydrophobicContact CG-CG 4.38Å; L66-L70 WeakPolarHBondContact O-CB 3.25Å; L66-L70 VanDerWaalsContact O-CG 3.3Å; L66-L70 WeakPolarHBondContact O-CG 3.49Å; L66-L70 PolarHBondContact O-N 2.95Å; L66-R111 HydrophobicContact CD1-CB 4.31Å; L66-R111 HydrophobicContact CD2-CB 4.03Å; L66-I112 HydrophobicContact CB-CD1 4.14Å; L66-I112 HydrophobicContact CB-CG1 4.11Å; L66-I112 HydrophobicContact CD1-CG1 4.06Å
67	S	85.9	Confident	75.7	Confident	53 Å²	53	69.1 Å²	69.1	37%	0.371	36%	0.357	S	S	.	.	H	α-helix	trans	-59.6	-43.2	175.2	-174	0	0	0	0	112.1	E63 D64 W65 K71	E63-S67 WeakPolarHBondContact O-CB 3.4Å; E63-S67 PolarHBondContact O-N 3.22Å; D64-S67 WeakPolarHBondContact O-CB 3.4Å; D64-S67 PolarHBondContact O-N 2.89Å; W65-S67 VanDerWaalsContact C-N 3.35Å; W65-S67 PolarHBondContact O-N 3.41Å; S67-K71 VanDerWaalsContact O-CD 3.27Å; S67-K71 WeakPolarHBondContact O-CD 3.39Å; S67-K71 VanDerWaalsContact O-CG 3.22Å; S67-K71 WeakPolarHBondContact O-CG 3.34Å; S67-K71 PolarHBondContact O-N 3.05Å; S67-K71 PolarHBondContact OG-NZ 2.97Å
68	L	83.2	Confident	76	Confident	34 Å²	34	66.5 Å²	66.5	18%	0.178	35%	0.351	C	S	.	.	H	α-helix	trans	-64.9	-49.9	174.9	-178.5	74.9	0	0	0	111.8	I55 D64 W65 L66 L70 K71 L72	I55-L68 HydrophobicContact CD1-CD1 3.89Å; I55-L68 HydrophobicContact CD1-CD2 3.67Å; I55-L68 HydrophobicContact CD1-CG 4.3Å; D64-L68 PolarHBondContact O-N 2.99Å; W65-L68 HydrophobicContact CE3-CD2 4.44Å; W65-L68 HydrophobicContact CZ3-CD2 4.5Å; W65-L68 PolarHBondContact O-N 2.97Å; L66-L68 PolarHBondContact O-N 2.92Å; L68-L70 PolarHBondContact O-N 2.67Å; L68-K71 WeakPolarHBondContact O-CB 3.48Å; L68-K71 PolarHBondContact O-N 2.85Å; L68-L72 HydrophobicContact CD2-CD1 4.42Å; L68-L72 HydrophobicContact CG-CD1 4.08Å; L68-L72 HydrophobicContact CG-CG 4.49Å; L68-L72 WeakPolarHBondContact O-CG 3.44Å; L68-L72 PolarHBondContact O-N 3.13Å
69	L	87.4	Confident	76.9	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-63.8	-41.5	-174.4	-70.1	165.1	0	0	0	111.7	W65 L66 K71 L72 E73 R90 Y91 A94 I112	W65-L69 WeakPolarHBondContact O-CB 3.44Å; W65-L69 WeakPolarHBondContact O-CD1 3.4Å; W65-L69 WeakPolarHBondContact O-CG 3.35Å; W65-L69 PolarHBondContact O-N 2.6Å; L66-L69 PolarHBondContact O-N 2.84Å; L69-K71 VanDerWaalsContact C-N 3.35Å; L69-K71 PolarHBondContact O-N 2.92Å; L69-L72 PolarHBondContact O-N 3.09Å; L69-E73 WeakPolarHBondContact O-CB 3.17Å; L69-E73 PolarHBondContact O-N 2.91Å; L69-R90 HydrophobicContact CD2-CB 3.93Å; L69-Y91 HydrophobicContact CB-CE1 4.17Å; L69-Y91 HydrophobicContact CB-CE2 3.99Å; L69-Y91 HydrophobicContact CD1-CD1 3.87Å; L69-Y91 HydrophobicContact CD1-CE1 3.83Å; L69-Y91 HydrophobicContact CD1-CG 4.27Å; L69-Y91 HydrophobicContact CD2-CD1 4.49Å; L69-Y91 HydrophobicContact CD2-CD2 3.84Å; L69-Y91 HydrophobicContact CD2-CE2 3.99Å; L69-Y91 HydrophobicContact CD2-CG 4.09Å; L69-Y91 HydrophobicContact CG-CE1 4.43Å; L69-Y91 HydrophobicContact CG-CE2 4.41Å; L69-A94 HydrophobicContact CD1-CB 3.75Å; L69-I112 HydrophobicContact CD1-CD1 4.26Å; L69-I112 HydrophobicContact CD1-CG1 4.03Å; L69-I112 HydrophobicContact CD1-CG2 4.17Å
70	L	85.6	Confident	78.1	Confident	89 Å²	89	64.6 Å²	64.6	47%	0.466	35%	0.346	S	S	.	.	H	α-helix	trans	-66	-34	174.9	-68.5	172.4	0	0	0	112.8	L66 L68 K74	L66-L70 HydrophobicContact CD1-CD1 3.86Å; L66-L70 HydrophobicContact CD1-CG 3.94Å; L66-L70 HydrophobicContact CG-CD1 3.88Å; L66-L70 HydrophobicContact CG-CG 4.38Å; L66-L70 WeakPolarHBondContact O-CB 3.25Å; L66-L70 VanDerWaalsContact O-CG 3.3Å; L66-L70 WeakPolarHBondContact O-CG 3.49Å; L66-L70 PolarHBondContact O-N 2.95Å; L68-L70 PolarHBondContact O-N 2.67Å; L70-K74 WeakPolarHBondContact O-CB 3.49Å; L70-K74 PolarHBondContact O-N 2.98Å
71	K	81.4	Confident	78.6	Confident	125 Å²	125	64.3 Å²	64.3	54%	0.543	34%	0.344	S	S	.	.	H	α-helix	trans	-67.1	-42.6	172.3	-72.7	163.9	-175.8	159.8	0	111.5	S67 L68 L69 N75	S67-K71 VanDerWaalsContact O-CD 3.27Å; S67-K71 WeakPolarHBondContact O-CD 3.39Å; S67-K71 VanDerWaalsContact O-CG 3.22Å; S67-K71 WeakPolarHBondContact O-CG 3.34Å; S67-K71 PolarHBondContact O-N 3.05Å; S67-K71 PolarHBondContact OG-NZ 2.97Å; L68-K71 WeakPolarHBondContact O-CB 3.48Å; L68-K71 PolarHBondContact O-N 2.85Å; L69-K71 VanDerWaalsContact C-N 3.35Å; L69-K71 PolarHBondContact O-N 2.92Å; K71-N75 WeakPolarHBondContact O-CB 3.31Å; K71-N75 PolarHBondContact O-N 3.32Å; K71-N75 VanDerWaalsContact O-N 3.11Å; K71-N75 PolarHBondContact O-ND2 2.77Å
72	L	80.7	Confident	78.2	Confident	53 Å²	53	66.7 Å²	66.7	28%	0.277	37%	0.365	S	S	.	.	H	α-helix	trans	-63.4	-42.9	174.7	-69.7	172.5	0	0	0	111.5	L68 L69 N75 S76 L87 R90	L68-L72 HydrophobicContact CD2-CD1 4.42Å; L68-L72 HydrophobicContact CG-CD1 4.08Å; L68-L72 HydrophobicContact CG-CG 4.49Å; L68-L72 WeakPolarHBondContact O-CG 3.44Å; L68-L72 PolarHBondContact O-N 3.13Å; L69-L72 PolarHBondContact O-N 3.09Å; L72-N75 PolarHBondContact O-N 2.99Å; L72-S76 WeakPolarHBondContact O-CB 3.23Å; L72-S76 PolarHBondContact O-N 3.09Å; L72-S76 VanDerWaalsContact O-N 3.1Å; L72-S76 PolarHBondContact O-OG 3.2Å; L72-L87 HydrophobicContact CB-CD1 4.2Å; L72-R90 HydrophobicContact CD1-CB 4.45Å; L72-R90 HydrophobicContact CD1-CG 4.36Å
73	E	83.1	Confident	77.6	Confident	26 Å²	26	69.5 Å²	69.5	12%	0.121	38%	0.38	C	S	.	.	H	α-helix	trans	-63.1	-48.2	177.4	-174.4	166.8	-154.7	0	0	111.3	L69 N75 S76 L87 Y91 R115	L69-E73 WeakPolarHBondContact O-CB 3.17Å; L69-E73 PolarHBondContact O-N 2.91Å; E73-N75 PolarHBondContact O-N 3.25Å; E73-S76 PolarHBondContact O-N 3.24Å; E73-L87 HydrophobicContact CB-CD1 4.25Å; E73-L87 HydrophobicContact CB-CD2 4.12Å; E73-L87 HydrophobicContact CG-CD2 3.96Å; E73-Y91 PolarHBondContact OE2-OH 2.84Å; E73-R115 IonicContact OE1-CZ 3.25Å; E73-R115 VanDerWaalsContact OE1-CZ 3.27Å; E73-R115 IonicContact OE1-NE 3.91Å; E73-R115 PolarHBondContact OE1-NE 2.86Å; E73-R115 IonicContact OE1-NH2 1.96Å; E73-R115 PolarHBondContact OE1-NH2 3.08Å; E73-R115 IonicContact OE2-NE 3.51Å
74	K	79.3	Confident	77.2	Confident	175 Å²	175	66.1 Å²	66.1	76%	0.761	37%	0.365	S	S	*	.	H	α-helix	trans	-56.3	-37.9	175	-174.1	176.6	-179.6	-179.8	0	112.5	L70 S76	L70-K74 WeakPolarHBondContact O-CB 3.49Å; L70-K74 PolarHBondContact O-N 2.98Å; K74-S76 VanDerWaalsContact C-N 3.33Å
75	N	68.9	Low	77.1	Confident	134 Å²	134	66 Å²	66	72%	0.717	36%	0.364	S	S	*	.	H	α-helix	trans	-81.3	-7.9	179.5	-67.2	-5.2	0	0	0	113.9	K71 L72 E73	K71-N75 WeakPolarHBondContact O-CB 3.31Å; K71-N75 PolarHBondContact O-N 3.32Å; K71-N75 VanDerWaalsContact O-N 3.11Å; K71-N75 PolarHBondContact O-ND2 2.77Å; L72-N75 PolarHBondContact O-N 2.99Å; E73-N75 PolarHBondContact O-N 3.25Å
76	S	63.2	Low	76.9	Confident	22 Å²	22	70.7 Å²	70.7	15%	0.154	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	13.2	-175.7	-59.2	0	0	0	0	113.9	L72 E73 K74 P78 L79	L72-S76 WeakPolarHBondContact O-CB 3.23Å; L72-S76 PolarHBondContact O-N 3.09Å; L72-S76 VanDerWaalsContact O-N 3.1Å; L72-S76 PolarHBondContact O-OG 3.2Å; E73-S76 PolarHBondContact O-N 3.24Å; K74-S76 VanDerWaalsContact C-N 3.33Å; S76-P78 CarbonylContact O-C 3.51Å; S76-L79 WeakPolarHBondContact O-CA 3.46Å; S76-L79 WeakPolarHBondContact O-CD1 3.25Å; S76-L79 PolarHBondContact O-N 3.01Å; S76-L79 VanDerWaalsContact O-N 3.15Å
77	V	62.2	Low	76.7	Confident	72 Å²	72	69.9 Å²	69.9	44%	0.436	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-98	123.9	-177.6	-179.8	0	0	0	0	111.2	K24 L79	K24-V77 HydrophobicContact CD-CG1 4.26Å; V77-L79 HydrophobicContact CG2-CD1 3.95Å
78	P	54.2	Low	76.7	Confident	90 Å²	90	68 Å²	68	58%	0.584	37%	0.366	S	S	*	.	S	Bend	cis	-78.5	137.6	6.1	32.8	-33.4	0	0	0	112.7	S76 S80	S76-P78 CarbonylContact O-C 3.51Å; P78-S80 PolarHBondContact O-N 2.89Å
79	L	64.8	Low	76.8	Confident	64 Å²	64	67.9 Å²	67.9	34%	0.335	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-70.3	116.9	174.6	-75.6	76.4	0	0	0	108.8	S76 V77 L84 L87	S76-L79 WeakPolarHBondContact O-CA 3.46Å; S76-L79 WeakPolarHBondContact O-CD1 3.25Å; S76-L79 PolarHBondContact O-N 3.01Å; S76-L79 VanDerWaalsContact O-N 3.15Å; V77-L79 HydrophobicContact CG2-CD1 3.95Å; L79-L84 HydrophobicContact CD2-CB 4.18Å; L79-L84 HydrophobicContact CD2-CD1 3.81Å; L79-L87 HydrophobicContact CD2-CD2 4.21Å
80	S	74.6	Confident	76.6	Confident	61 Å²	61	70.1 Å²	70.1	43%	0.427	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-85.1	163.7	155.2	62.9	0	0	0	0	109.7	P78 A82 L83 L84	P78-S80 PolarHBondContact O-N 2.89Å; S80-A82 PolarHBondContact O-N 3.45Å; S80-A82 VanDerWaalsContact O-N 3.16Å; S80-L83 CarbonylContact O-C 3.13Å; S80-L83 WeakPolarHBondContact O-CA 3.32Å; S80-L83 PolarHBondContact O-N 2.9Å; S80-L84 PolarHBondContact O-N 2.97Å
81	D	73.8	Confident	76.8	Confident	127 Å²	127	65.9 Å²	65.9	68%	0.679	36%	0.359	S	S	*	.	H	α-helix	trans	-58.6	-34	-178.1	-50.4	-43	0	0	0	112.4	L84 N85	D81-L84 PolarHBondContact O-N 3.03Å; D81-N85 WeakPolarHBondContact O-CB 3.28Å; D81-N85 PolarHBondContact O-N 3.29Å; D81-N85 PolarHBondContact O-ND2 3.19Å
82	A	74.4	Confident	77.2	Confident	77 Å²	77	61.7 Å²	61.7	64%	0.636	35%	0.346	S	S	*	.	H	α-helix	trans	-66.1	-37.9	173.7	0	0	0	0	0	112.7	S80 K86	S80-A82 PolarHBondContact O-N 3.45Å; S80-A82 VanDerWaalsContact O-N 3.16Å; A82-K86 VanDerWaalsContact O-CB 3.29Å; A82-K86 WeakPolarHBondContact O-CB 3.38Å; A82-K86 PolarHBondContact O-N 3.23Å
83	L	76.9	Confident	77.5	Confident	61 Å²	61	63 Å²	63	32%	0.319	35%	0.35	S	S	.	.	H	α-helix	trans	-74.1	-37.9	175	-69.3	174.9	0	0	0	111.8	S80 K86 L87	S80-L83 CarbonylContact O-C 3.13Å; S80-L83 WeakPolarHBondContact O-CA 3.32Å; S80-L83 PolarHBondContact O-N 2.9Å; L83-K86 PolarHBondContact O-N 3.44Å; L83-L87 WeakPolarHBondContact O-CB 3.34Å; L83-L87 PolarHBondContact O-N 2.87Å
84	L	80.6	Confident	77.6	Confident	11 Å²	11	61.7 Å²	61.7	6%	0.058	35%	0.345	C	S	.	.	H	α-helix	trans	-60.9	-50.2	174	176.7	60.9	0	0	0	110.9	L79 S80 D81 K86 L87 I88 L119 I122	L79-L84 HydrophobicContact CD2-CB 4.18Å; L79-L84 HydrophobicContact CD2-CD1 3.81Å; S80-L84 PolarHBondContact O-N 2.97Å; D81-L84 PolarHBondContact O-N 3.03Å; L84-K86 VanDerWaalsContact C-N 3.33Å; L84-K86 PolarHBondContact O-N 2.91Å; L84-L87 PolarHBondContact O-N 3.29Å; L84-I88 HydrophobicContact CD1-CD1 3.82Å; L84-I88 HydrophobicContact CD1-CG1 4.13Å; L84-I88 HydrophobicContact CG-CD1 3.85Å; L84-I88 WeakPolarHBondContact O-CB 3.48Å; L84-I88 VanDerWaalsContact O-CG1 3.31Å; L84-I88 WeakPolarHBondContact O-CG1 3.22Å; L84-I88 PolarHBondContact O-N 2.97Å; L84-L119 HydrophobicContact CD1-CD2 3.98Å; L84-I122 HydrophobicContact CD2-CB 4.35Å; L84-I122 HydrophobicContact CD2-CG2 3.79Å
85	N	82.6	Confident	78.1	Confident	80 Å²	80	54.7 Å²	54.7	43%	0.428	32%	0.315	S	S	.	.	H	α-helix	trans	-60	-41.8	175	-81.4	-76.7	0	0	0	112.1	D81 L87 I88 G89 Q123	D81-N85 WeakPolarHBondContact O-CB 3.28Å; D81-N85 PolarHBondContact O-N 3.29Å; D81-N85 PolarHBondContact O-ND2 3.19Å; N85-L87 VanDerWaalsContact C-N 3.33Å; N85-L87 PolarHBondContact O-N 2.71Å; N85-I88 PolarHBondContact O-N 3.16Å; N85-G89 PolarHBondContact O-N 3.42Å; N85-Q123 PolarHBondContact OD1-NE2 2.82Å
86	K	82	Confident	79	Confident	109 Å²	109	55 Å²	55	47%	0.474	31%	0.312	S	S	.	.	H	α-helix	trans	-63.7	-36.5	175.9	-170.9	174.8	-178.3	178.9	0	112.3	N48 A82 L83 L84 R90	N48-K86 PolarHBondContact OD1-NZ 3.48Å; A82-K86 VanDerWaalsContact O-CB 3.29Å; A82-K86 WeakPolarHBondContact O-CB 3.38Å; A82-K86 PolarHBondContact O-N 3.23Å; L83-K86 PolarHBondContact O-N 3.44Å; L84-K86 VanDerWaalsContact C-N 3.33Å; L84-K86 PolarHBondContact O-N 2.91Å; K86-R90 VanDerWaalsContact O-CG 3.31Å; K86-R90 WeakPolarHBondContact O-CG 3.06Å; K86-R90 PolarHBondContact O-N 3.48Å
87	L	85.4	Confident	80	Confident	5 Å²	5	56.4 Å²	56.4	3%	0.026	33%	0.325	C	S	.	.	H	α-helix	trans	-71.6	-48.7	176.5	-172.2	64.9	0	0	0	111.3	L72 E73 L79 L83 L84 N85 G89 R90 Y91 L119	L72-L87 HydrophobicContact CB-CD1 4.2Å; E73-L87 HydrophobicContact CB-CD1 4.25Å; E73-L87 HydrophobicContact CB-CD2 4.12Å; E73-L87 HydrophobicContact CG-CD2 3.96Å; L79-L87 HydrophobicContact CD2-CD2 4.21Å; L83-L87 WeakPolarHBondContact O-CB 3.34Å; L83-L87 PolarHBondContact O-N 2.87Å; L84-L87 PolarHBondContact O-N 3.29Å; N85-L87 VanDerWaalsContact C-N 3.33Å; N85-L87 PolarHBondContact O-N 2.71Å; L87-G89 VanDerWaalsContact C-N 3.28Å; L87-G89 PolarHBondContact O-N 2.87Å; L87-R90 PolarHBondContact O-N 3.07Å; L87-Y91 HydrophobicContact CD1-CD2 4.24Å; L87-Y91 HydrophobicContact CD1-CE2 3.92Å; L87-Y91 HydrophobicContact CG-CD2 4.09Å; L87-Y91 HydrophobicContact CG-CE2 3.98Å; L87-Y91 WeakPolarHBondContact O-CD2 3.47Å; L87-Y91 PolarHBondContact O-N 2.98Å; L87-L119 HydrophobicContact CD2-CD1 3.89Å; L87-L119 HydrophobicContact CD2-CD2 4.07Å; L87-L119 HydrophobicContact CG-CD1 4.02Å
88	I	86.3	Confident	81.2	Confident	12 Å²	12	53.1 Å²	53.1	6%	0.062	31%	0.305	C	S	.	.	H	α-helix	trans	-53.8	-45.2	174.7	-71.6	171.9	0	0	0	110.5	L84 N85 R90 Y91 S92 F116 L119 Q123	L84-I88 HydrophobicContact CD1-CD1 3.82Å; L84-I88 HydrophobicContact CD1-CG1 4.13Å; L84-I88 HydrophobicContact CG-CD1 3.85Å; L84-I88 WeakPolarHBondContact O-CB 3.48Å; L84-I88 VanDerWaalsContact O-CG1 3.31Å; L84-I88 WeakPolarHBondContact O-CG1 3.22Å; L84-I88 PolarHBondContact O-N 2.97Å; N85-I88 PolarHBondContact O-N 3.16Å; I88-R90 VanDerWaalsContact C-N 3.3Å; I88-R90 PolarHBondContact O-N 2.88Å; I88-Y91 PolarHBondContact O-N 2.79Å; I88-S92 PolarHBondContact O-N 2.82Å; I88-F116 HydrophobicContact CG2-CD2 4.47Å; I88-F116 HydrophobicContact CG2-CE2 3.81Å; I88-F116 WeakPolarHBondContact O-CE2 3.31Å; I88-L119 HydrophobicContact CD1-CB 4.37Å; I88-L119 HydrophobicContact CG1-CB 3.84Å; I88-Q123 HydrophobicContact CD1-CB 4.29Å
89	G	84.7	Confident	82.6	Confident	32 Å²	32	51 Å²	51	33%	0.33	29%	0.291	S	S	.	.	H	α-helix	trans	-60.1	-34.4	176	0	0	0	0	0	114.1	N85 L87 S92 Q93	N85-G89 PolarHBondContact O-N 3.42Å; L87-G89 VanDerWaalsContact C-N 3.28Å; L87-G89 PolarHBondContact O-N 2.87Å; G89-S92 PolarHBondContact O-N 3.13Å; G89-Q93 WeakPolarHBondContact O-CG 3.38Å; G89-Q93 PolarHBondContact O-N 2.96Å; G89-Q93 VanDerWaalsContact O-N 3.12Å
90	R	84.3	Confident	83.6	Confident	47 Å²	47	50.3 Å²	50.3	18%	0.177	29%	0.291	C	S	.	.	H	α-helix	trans	-75	-35.1	176.3	-64.9	-73.8	160.3	145.5	-7.3	112.2	N48 L69 L72 K86 L87 I88 A94	N48-R90 PolarHBondContact O-NH1 3.12Å; N48-R90 PolarHBondContact O-NH2 3.44Å; L69-R90 HydrophobicContact CD2-CB 3.93Å; L72-R90 HydrophobicContact CD1-CB 4.45Å; L72-R90 HydrophobicContact CD1-CG 4.36Å; K86-R90 VanDerWaalsContact O-CG 3.31Å; K86-R90 WeakPolarHBondContact O-CG 3.06Å; K86-R90 PolarHBondContact O-N 3.48Å; L87-R90 PolarHBondContact O-N 3.07Å; I88-R90 VanDerWaalsContact C-N 3.3Å; I88-R90 PolarHBondContact O-N 2.88Å; R90-A94 PolarHBondContact O-N 2.89Å; R90-A94 VanDerWaalsContact O-N 3.13Å
91	Y	89.7	Confident	84	Confident	0 Å²	0	55 Å²	55	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-66.4	-37.7	170.4	-86.1	-92.3	0	0	0	112.1	L69 E73 L87 I88 A94 I95 I112 R115 F116 L119	L69-Y91 HydrophobicContact CB-CE1 4.17Å; L69-Y91 HydrophobicContact CB-CE2 3.99Å; L69-Y91 HydrophobicContact CD1-CD1 3.87Å; L69-Y91 HydrophobicContact CD1-CE1 3.83Å; L69-Y91 HydrophobicContact CD1-CG 4.27Å; L69-Y91 HydrophobicContact CD2-CD1 4.49Å; L69-Y91 HydrophobicContact CD2-CD2 3.84Å; L69-Y91 HydrophobicContact CD2-CE2 3.99Å; L69-Y91 HydrophobicContact CD2-CG 4.09Å; L69-Y91 HydrophobicContact CG-CE1 4.43Å; L69-Y91 HydrophobicContact CG-CE2 4.41Å; E73-Y91 PolarHBondContact OE2-OH 2.84Å; L87-Y91 HydrophobicContact CD1-CD2 4.24Å; L87-Y91 HydrophobicContact CD1-CE2 3.92Å; L87-Y91 HydrophobicContact CG-CD2 4.09Å; L87-Y91 HydrophobicContact CG-CE2 3.98Å; L87-Y91 WeakPolarHBondContact O-CD2 3.47Å; L87-Y91 PolarHBondContact O-N 2.98Å; I88-Y91 PolarHBondContact O-N 2.79Å; Y91-A94 PolarHBondContact O-N 2.79Å; Y91-I95 WeakPolarHBondContact O-CG1 3.45Å; Y91-I95 PolarHBondContact O-N 2.93Å; Y91-I95 VanDerWaalsContact O-N 3.09Å; Y91-I112 HydrophobicContact CD1-CG2 4.03Å; Y91-I112 HydrophobicContact CE1-CG2 4.48Å; Y91-R115 HydrophobicContact CE1-CB 3.76Å; Y91-R115 HydrophobicContact CE1-CG 3.87Å; Y91-F116 VanDerWaalsContact CB-CD2 3.49Å; Y91-F116 HydrophobicContact CD1-CB 4.19Å; Y91-F116 HydrophobicContact CG-CB 4.46Å; Y91-L119 HydrophobicContact CD2-CD1 3.58Å; Y91-L119 HydrophobicContact CE2-CD1 3.6Å; Y91-L119 HydrophobicContact CG-CD1 4.24Å
92	S	90.4	Very high	84.5	Confident	37 Å²	37	56.4 Å²	56.4	26%	0.259	31%	0.311	S	S	.	.	H	α-helix	trans	-59.8	-51.1	173.3	-163.1	0	0	0	0	111.2	I88 G89 A94 I95 E96	I88-S92 PolarHBondContact O-N 2.82Å; G89-S92 PolarHBondContact O-N 3.13Å; S92-A94 VanDerWaalsContact C-N 3.25Å; S92-A94 PolarHBondContact O-N 3.25Å; S92-I95 PolarHBondContact O-N 3.31Å; S92-E96 VanDerWaalsContact C-OE1 3.31Å; S92-E96 WeakPolarHBondContact CB-OE1 3.35Å; S92-E96 WeakPolarHBondContact O-CG 3.44Å; S92-E96 PolarHBondContact O-N 3.08Å; S92-E96 PolarHBondContact OG-OE1 3.44Å
93	Q	86	Confident	85.2	Confident	80 Å²	80	54.7 Å²	54.7	37%	0.374	29%	0.289	S	S	.	.	H	α-helix	trans	-56.4	-37.5	176.8	-73.3	175.1	-17.5	0	0	113	G89 A97	G89-Q93 WeakPolarHBondContact O-CG 3.38Å; G89-Q93 PolarHBondContact O-N 2.96Å; G89-Q93 VanDerWaalsContact O-N 3.12Å; Q93-A97 WeakPolarHBondContact O-CB 3.25Å; Q93-A97 PolarHBondContact O-N 3.03Å
94	A	86.1	Confident	85.6	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-67.4	-38.2	175.5	0	0	0	0	0	112.8	W65 L69 R90 Y91 S92 A97 L98 I112	W65-A94 HydrophobicContact CD2-CB 3.85Å; W65-A94 HydrophobicContact CE3-CB 3.38Å; W65-A94 HydrophobicContact CG-CB 4.36Å; W65-A94 HydrophobicContact CZ3-CB 3.81Å; L69-A94 HydrophobicContact CD1-CB 3.75Å; R90-A94 PolarHBondContact O-N 2.89Å; R90-A94 VanDerWaalsContact O-N 3.13Å; Y91-A94 PolarHBondContact O-N 2.79Å; S92-A94 VanDerWaalsContact C-N 3.25Å; S92-A94 PolarHBondContact O-N 3.25Å; A94-A97 PolarHBondContact O-N 3.33Å; A94-L98 VanDerWaalsContact O-CB 3.31Å; A94-L98 WeakPolarHBondContact O-CB 3.39Å; A94-L98 WeakPolarHBondContact O-CD1 3.3Å; A94-L98 WeakPolarHBondContact O-CG 3.21Å; A94-L98 PolarHBondContact O-N 3.11Å; A94-I112 HydrophobicContact CB-CG2 4.24Å
95	I	89.3	Confident	85.9	Confident	27 Å²	27	57.3 Å²	57.3	14%	0.138	30%	0.301	C	S	.	.	H	α-helix	trans	-71.9	-38.5	177.4	-67.5	169	0	0	0	110.9	Y91 S92 A97 L98 I112 Q113 F116	Y91-I95 WeakPolarHBondContact O-CG1 3.45Å; Y91-I95 PolarHBondContact O-N 2.93Å; Y91-I95 VanDerWaalsContact O-N 3.09Å; S92-I95 PolarHBondContact O-N 3.31Å; I95-A97 VanDerWaalsContact C-N 3.32Å; I95-A97 PolarHBondContact O-N 3.43Å; I95-L98 PolarHBondContact O-N 2.95Å; I95-I112 HydrophobicContact CD1-CG2 4.44Å; I95-I112 HydrophobicContact CG1-CG2 3.9Å; I95-Q113 HydrophobicContact CD1-CG 4.16Å; I95-Q113 HydrophobicContact CG1-CG 4.17Å; I95-F116 HydrophobicContact CD1-CB 3.68Å; I95-F116 HydrophobicContact CD1-CD1 3.33Å; I95-F116 HydrophobicContact CD1-CD2 4.45Å; I95-F116 HydrophobicContact CD1-CE1 3.98Å; I95-F116 HydrophobicContact CD1-CG 3.59Å
96	E	87.2	Confident	86.4	Confident	140 Å²	140	55.3 Å²	55.3	65%	0.654	29%	0.29	S	S	*	.	H	α-helix	trans	-64.1	-35.1	174.2	-69.8	161.5	-128.2	0	0	112.3	S92	S92-E96 VanDerWaalsContact C-OE1 3.31Å; S92-E96 WeakPolarHBondContact CB-OE1 3.35Å; S92-E96 WeakPolarHBondContact O-CG 3.44Å; S92-E96 PolarHBondContact O-N 3.08Å; S92-E96 PolarHBondContact OG-OE1 3.44Å
97	A	84.6	Confident	86.9	Confident	52 Å²	52	53.4 Å²	53.4	43%	0.43	28%	0.283	S	S	.	.	H	α-helix	trans	-77.6	-22.2	177.1	0	0	0	0	0	114.3	W65 Q93 A94 I95 P99	W65-A97 HydrophobicContact CZ2-CB 3.87Å; Q93-A97 WeakPolarHBondContact O-CB 3.25Å; Q93-A97 PolarHBondContact O-N 3.03Å; A94-A97 PolarHBondContact O-N 3.33Å; I95-A97 VanDerWaalsContact C-N 3.32Å; I95-A97 PolarHBondContact O-N 3.43Å; A97-P99 VanDerWaalsContact O-CD 3.23Å; A97-P99 WeakPolarHBondContact O-CD 3.27Å
98	L	87.4	Confident	87.2	Confident	3 Å²	3	54.1 Å²	54.1	2%	0.016	29%	0.288	C	S	.	.	S	Bend	trans	-111.8	89.8	-172.2	-65.8	174.4	0	0	0	111.3	P62 W65 A94 I95 Y103 F109 I112	P62-L98 HydrophobicContact CB-CD1 4.02Å; P62-L98 HydrophobicContact CG-CD1 4.2Å; P62-L98 HydrophobicContact CG-CD2 4.07Å; W65-L98 HydrophobicContact CB-CD1 4.16Å; W65-L98 HydrophobicContact CG-CD1 4.14Å; A94-L98 VanDerWaalsContact O-CB 3.31Å; A94-L98 WeakPolarHBondContact O-CB 3.39Å; A94-L98 WeakPolarHBondContact O-CD1 3.3Å; A94-L98 WeakPolarHBondContact O-CG 3.21Å; A94-L98 PolarHBondContact O-N 3.11Å; I95-L98 PolarHBondContact O-N 2.95Å; L98-Y103 HydrophobicContact CB-CD2 4.03Å; L98-Y103 HydrophobicContact CB-CE2 4.42Å; L98-Y103 HydrophobicContact CD2-CD2 4.05Å; L98-Y103 HydrophobicContact CD2-CE2 3.79Å; L98-F109 HydrophobicContact CB-CD2 3.74Å; L98-F109 HydrophobicContact CB-CE2 3.58Å; L98-F109 HydrophobicContact CD1-CD2 4.05Å; L98-F109 WeakPolarHBondContact O-CE2 3.44Å; L98-F109 WeakPolarHBondContact O-CZ 3.38Å; L98-I112 HydrophobicContact CD1-CD1 3.94Å
99	P	84.1	Confident	87.6	Confident	46 Å²	46	53.5 Å²	53.5	30%	0.299	29%	0.285	S	S	.	.			trans	-60.9	129.7	-178.4	22	-35.3	0	0	0	113.2	A97 D101 K102 Y103	A97-P99 VanDerWaalsContact O-CD 3.23Å; A97-P99 WeakPolarHBondContact O-CD 3.27Å; P99-D101 VanDerWaalsContact C-N 3.28Å; P99-D101 PolarHBondContact O-N 2.73Å; P99-K102 HydrophobicContact CG-CB 4.45Å; P99-K102 HydrophobicContact CG-CD 3.91Å; P99-K102 HydrophobicContact CG-CG 4.14Å; P99-K102 PolarHBondContact O-N 3.17Å; P99-K102 VanDerWaalsContact O-N 3.1Å; P99-Y103 HydrophobicContact CG-CD2 4.44Å; P99-Y103 HydrophobicContact CG-CE2 4.22Å; P99-Y103 WeakPolarHBondContact O-CD2 3.35Å; P99-Y103 PolarHBondContact O-N 2.92Å
100	P	84.8	Confident	88	Confident	50 Å²	50	52 Å²	52	33%	0.325	27%	0.269	S	S	.	.	H	α-helix	trans	-63.7	-30.3	-174.3	25.2	-34.3	0	0	0	113.3	K102 Y103 G104 F109 N138	P100-K102 PolarHBondContact O-N 2.7Å; P100-K102 VanDerWaalsContact O-N 3.15Å; P100-Y103 PolarHBondContact O-N 3.39Å; P100-G104 PolarHBondContact O-N 3.03Å; P100-F109 HydrophobicContact CB-CE1 4.11Å; P100-F109 HydrophobicContact CB-CZ 4.01Å; P100-N138 HydrophobicContact CB-CB 4.17Å; P100-N138 WeakPolarHBondContact CB-OD1 3.46Å
101	D	84.1	Confident	88.5	Confident	160 Å²	160	55.3 Å²	55.3	86%	0.856	28%	0.282	S	S	*	.	H	α-helix	trans	-58	-27.4	176.4	-56.8	-47.2	0	0	0	113.3	P99	P99-D101 VanDerWaalsContact C-N 3.28Å; P99-D101 PolarHBondContact O-N 2.73Å
102	K	83.9	Confident	88.7	Confident	156 Å²	156	55.3 Å²	55.3	68%	0.678	28%	0.282	S	S	*	.	H	α-helix	trans	-94.4	-37.3	177.7	-60.5	-172.5	-172.6	175.6	0	112.5	P99 P100	P99-K102 HydrophobicContact CG-CB 4.45Å; P99-K102 HydrophobicContact CG-CD 3.91Å; P99-K102 HydrophobicContact CG-CG 4.14Å; P99-K102 PolarHBondContact O-N 3.17Å; P99-K102 VanDerWaalsContact O-N 3.1Å; P100-K102 PolarHBondContact O-N 2.7Å; P100-K102 VanDerWaalsContact O-N 3.15Å
103	Y	88.4	Confident	88.9	Confident	41 Å²	41	53.7 Å²	53.7	16%	0.161	27%	0.27	C	S	.	.	H	α-helix	trans	-114.1	-0.6	-165.2	-55.9	-69.3	0	0	0	115.1	N60 P62 L98 P99 P100 Q105 N106 F109	N60-Y103 PolarHBondContact O-OH 2.73Å; P62-Y103 HydrophobicContact CG-CD1 3.32Å; P62-Y103 HydrophobicContact CG-CD2 4.38Å; P62-Y103 HydrophobicContact CG-CE1 3.8Å; P62-Y103 HydrophobicContact CG-CG 3.65Å; L98-Y103 HydrophobicContact CB-CD2 4.03Å; L98-Y103 HydrophobicContact CB-CE2 4.42Å; L98-Y103 HydrophobicContact CD2-CD2 4.05Å; L98-Y103 HydrophobicContact CD2-CE2 3.79Å; P99-Y103 HydrophobicContact CG-CD2 4.44Å; P99-Y103 HydrophobicContact CG-CE2 4.22Å; P99-Y103 WeakPolarHBondContact O-CD2 3.35Å; P99-Y103 PolarHBondContact O-N 2.92Å; P100-Y103 PolarHBondContact O-N 3.39Å; Y103-Q105 PolarHBondContact O-N 3.1Å; Y103-N106 VanDerWaalsContact O-CB 3.29Å; Y103-N106 WeakPolarHBondContact O-CB 3.47Å; Y103-N106 PolarHBondContact O-N 2.81Å; Y103-F109 VanDerWaalsContact C-CD1 3.41Å; Y103-F109 WeakPolarHBondContact O-CD1 3.2Å
104	G	85.7	Confident	89.3	Confident	7 Å²	7	50.2 Å²	50.2	7%	0.072	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-10.4	177.6	0	0	0	0	0	116	P100	P100-G104 PolarHBondContact O-N 3.03Å
105	Q	87.9	Confident	89.7	Confident	120 Å²	120	54 Å²	54	56%	0.561	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	0.3	171.9	-60.9	-59.2	-40.8	0	0	113.6	Y103 F142	Y103-Q105 PolarHBondContact O-N 3.1Å; Q105-F142 WeakPolarHBondContact O-CZ 3.39Å
106	N	92.3	Very high	89.9	Confident	37 Å²	37	53.2 Å²	53.2	20%	0.198	26%	0.264	C	S	.	.			trans	-95	133.6	179.5	172.3	-73.2	0	0	0	110.3	P62 E63 Y103 S108 F109 A110	P62-N106 WeakPolarHBondContact CB-OD1 3.17Å; E63-N106 PolarHBondContact OE1-ND2 2.71Å; E63-N106 PolarHBondContact OE1-OD1 3.01Å; E63-N106 PolarHBondContact OE2-ND2 3.1Å; Y103-N106 VanDerWaalsContact O-CB 3.29Å; Y103-N106 WeakPolarHBondContact O-CB 3.47Å; Y103-N106 PolarHBondContact O-N 2.81Å; N106-S108 WeakPolarHBondContact OD1-CA 3.48Å; N106-S108 WeakPolarHBondContact OD1-CB 3.48Å; N106-S108 PolarHBondContact OD1-N 2.83Å; N106-F109 HydrophobicContact CB-CB 4.27Å; N106-F109 PolarHBondContact OD1-N 3.5Å; N106-A110 PolarHBondContact O-N 2.9Å
107	E	92.3	Very high	90.1	Very high	70 Å²	70	46.6 Å²	46.6	33%	0.327	23%	0.233	S	C	.	.	H	α-helix	trans	-72.1	-38.1	-175.2	-162.9	-173.4	126	0	0	112.5	F109 A110 R111 F142 F144	E107-F109 VanDerWaalsContact C-N 3.33Å; E107-F109 PolarHBondContact O-N 3.33Å; E107-A110 WeakPolarHBondContact O-CB 3.49Å; E107-A110 PolarHBondContact O-N 2.94Å; E107-R111 WeakPolarHBondContact O-CG 3.34Å; E107-R111 PolarHBondContact O-N 2.89Å; E107-R111 IonicContact OE1-CZ 2.62Å; E107-R111 IonicContact OE1-NE 3.81Å; E107-R111 PolarHBondContact OE1-NE 3.49Å; E107-R111 IonicContact OE1-NH2 2.81Å; E107-R111 PolarHBondContact OE1-NH2 3.36Å; E107-F142 HydrophobicContact CB-CE1 3.75Å; E107-F142 HydrophobicContact CB-CZ 3.99Å; E107-F142 HydrophobicContact CG-CD1 4.1Å; E107-F142 HydrophobicContact CG-CE1 3.79Å; E107-F142 HydrophobicContact CG-CZ 4.41Å; E107-F144 HydrophobicContact CG-CE1 3.84Å; E107-F144 HydrophobicContact CG-CZ 4.17Å
108	S	92.1	Very high	90.5	Very high	19 Å²	19	46.7 Å²	46.7	13%	0.133	23%	0.225	C	C	.	.	H	α-helix	trans	-64.6	-40.2	-179.7	-47.4	0	0	0	0	111.1	E63 N106 R111 I112	E63-S108 WeakPolarHBondContact OE1-CB 3.47Å; E63-S108 PolarHBondContact OE1-OG 3.49Å; N106-S108 WeakPolarHBondContact OD1-CA 3.48Å; N106-S108 WeakPolarHBondContact OD1-CB 3.48Å; N106-S108 PolarHBondContact OD1-N 2.83Å; S108-R111 WeakPolarHBondContact O-CB 3.5Å; S108-R111 PolarHBondContact O-N 2.92Å; S108-I112 WeakPolarHBondContact O-CG1 3.35Å; S108-I112 PolarHBondContact O-N 2.89Å
109	F	93.8	Very high	90.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.8	-43.9	171.6	-179.2	-113.1	0	0	0	112.4	P62 L98 P100 Y103 N106 E107 R111 I112 Q113 N138	P62-F109 HydrophobicContact CB-CB 3.91Å; P62-F109 HydrophobicContact CG-CB 4.05Å; L98-F109 HydrophobicContact CB-CD2 3.74Å; L98-F109 HydrophobicContact CB-CE2 3.58Å; L98-F109 HydrophobicContact CD1-CD2 4.05Å; L98-F109 WeakPolarHBondContact O-CE2 3.44Å; L98-F109 WeakPolarHBondContact O-CZ 3.38Å; P100-F109 HydrophobicContact CB-CE1 4.11Å; P100-F109 HydrophobicContact CB-CZ 4.01Å; Y103-F109 VanDerWaalsContact C-CD1 3.41Å; Y103-F109 WeakPolarHBondContact O-CD1 3.2Å; N106-F109 HydrophobicContact CB-CB 4.27Å; N106-F109 PolarHBondContact OD1-N 3.5Å; E107-F109 VanDerWaalsContact C-N 3.33Å; E107-F109 PolarHBondContact O-N 3.33Å; F109-R111 VanDerWaalsContact C-N 3.31Å; F109-R111 PolarHBondContact O-N 2.85Å; F109-I112 PolarHBondContact O-N 2.99Å; F109-Q113 HydrophobicContact CE2-CG 4.38Å; F109-Q113 HydrophobicContact CZ-CG 4.34Å; F109-Q113 PolarHBondContact O-N 2.98Å; F109-N138 HydrophobicContact CE1-CB 4.43Å
110	A	93.9	Very high	90.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.5	-38.8	174.7	0	0	0	0	0	112.3	N106 E107 V114 C139 F142 F144 V145	N106-A110 PolarHBondContact O-N 2.9Å; E107-A110 WeakPolarHBondContact O-CB 3.49Å; E107-A110 PolarHBondContact O-N 2.94Å; A110-V114 WeakPolarHBondContact O-CB 3.3Å; A110-V114 WeakPolarHBondContact O-CG2 3.4Å; A110-V114 PolarHBondContact O-N 3.48Å; A110-C139 HydrophobicContact CB-CB 3.58Å; A110-F142 HydrophobicContact CB-CD2 3.63Å; A110-F142 HydrophobicContact CB-CE2 3.88Å; A110-F142 HydrophobicContact CB-CG 4.26Å; A110-F144 HydrophobicContact CB-CE2 4.21Å; A110-F144 HydrophobicContact CB-CZ 3.67Å; A110-V145 HydrophobicContact CB-CG2 4.07Å
111	R	94.1	Very high	91	Very high	117 Å²	117	44.5 Å²	44.5	44%	0.442	21%	0.211	S	C	.	.	H	α-helix	trans	-65.5	-40.5	172.9	-71	171.8	179.3	-92	3.3	112.3	L66 E107 S108 F109 R115 F144	L66-R111 HydrophobicContact CD1-CB 4.31Å; L66-R111 HydrophobicContact CD2-CB 4.03Å; E107-R111 WeakPolarHBondContact O-CG 3.34Å; E107-R111 PolarHBondContact O-N 2.89Å; E107-R111 IonicContact OE1-CZ 2.62Å; E107-R111 IonicContact OE1-NE 3.81Å; E107-R111 PolarHBondContact OE1-NE 3.49Å; E107-R111 IonicContact OE1-NH2 2.81Å; E107-R111 PolarHBondContact OE1-NH2 3.36Å; S108-R111 WeakPolarHBondContact O-CB 3.5Å; S108-R111 PolarHBondContact O-N 2.92Å; F109-R111 VanDerWaalsContact C-N 3.31Å; F109-R111 PolarHBondContact O-N 2.85Å; R111-R115 VanDerWaalsContact O-CB 3.29Å; R111-R115 WeakPolarHBondContact O-CB 3.09Å; R111-R115 PolarHBondContact O-N 2.77Å; R111-F144 HydrophobicContact CG-CE2 3.95Å; R111-F144 HydrophobicContact CG-CZ 3.7Å
112	I	93.9	Very high	91	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60.1	-50.3	174.3	-68.7	167	0	0	0	110.7	W65 L66 L69 Y91 A94 I95 L98 S108 F109 R115 F116	W65-I112 HydrophobicContact CB-CD1 3.86Å; L66-I112 HydrophobicContact CB-CD1 4.14Å; L66-I112 HydrophobicContact CB-CG1 4.11Å; L66-I112 HydrophobicContact CD1-CG1 4.06Å; L69-I112 HydrophobicContact CD1-CD1 4.26Å; L69-I112 HydrophobicContact CD1-CG1 4.03Å; L69-I112 HydrophobicContact CD1-CG2 4.17Å; Y91-I112 HydrophobicContact CD1-CG2 4.03Å; Y91-I112 HydrophobicContact CE1-CG2 4.48Å; A94-I112 HydrophobicContact CB-CG2 4.24Å; I95-I112 HydrophobicContact CD1-CG2 4.44Å; I95-I112 HydrophobicContact CG1-CG2 3.9Å; L98-I112 HydrophobicContact CD1-CD1 3.94Å; S108-I112 WeakPolarHBondContact O-CG1 3.35Å; S108-I112 PolarHBondContact O-N 2.89Å; F109-I112 PolarHBondContact O-N 2.99Å; I112-R115 PolarHBondContact O-N 2.56Å; I112-F116 WeakPolarHBondContact O-CB 3.47Å; I112-F116 PolarHBondContact O-N 3.38Å
113	Q	94.3	Very high	90.8	Very high	3 Å²	3	37.3 Å²	37.3	1%	0.014	18%	0.177	C	C	.	.	H	α-helix	trans	-66.6	-40.2	-178.3	-68.3	-157.8	-8.6	0	0	113.1	I95 F109 A117 A135 N138	I95-Q113 HydrophobicContact CD1-CG 4.16Å; I95-Q113 HydrophobicContact CG1-CG 4.17Å; F109-Q113 HydrophobicContact CE2-CG 4.38Å; F109-Q113 HydrophobicContact CZ-CG 4.34Å; F109-Q113 PolarHBondContact O-N 2.98Å; Q113-A117 PolarHBondContact O-N 3.01Å; Q113-A117 VanDerWaalsContact O-N 3.16Å; Q113-A135 HydrophobicContact CB-CB 3.94Å; Q113-N138 PolarHBondContact NE2-ND2 3.43Å; Q113-N138 VanDerWaalsContact NE2-ND2 3.12Å; Q113-N138 PolarHBondContact OE1-ND2 2.77Å
114	V	94.6	Very high	90.4	Very high	6 Å²	6	39 Å²	39	4%	0.036	19%	0.186	C	C	.	.	H	α-helix	trans	-63.5	-45.4	174	169	0	0	0	0	110.9	A110 F116 A117 E118 A135 F144 V145 S148	A110-V114 WeakPolarHBondContact O-CB 3.3Å; A110-V114 WeakPolarHBondContact O-CG2 3.4Å; A110-V114 PolarHBondContact O-N 3.48Å; V114-F116 VanDerWaalsContact C-N 3.33Å; V114-F116 PolarHBondContact O-N 2.83Å; V114-A117 PolarHBondContact O-N 3.29Å; V114-E118 HydrophobicContact CG1-CG 4.37Å; V114-E118 WeakPolarHBondContact CG1-OE1 3.36Å; V114-E118 WeakPolarHBondContact O-CG 3.37Å; V114-E118 PolarHBondContact O-N 3.37Å; V114-A135 HydrophobicContact CG2-CB 4.31Å; V114-F144 HydrophobicContact CB-CE2 4.45Å; V114-F144 HydrophobicContact CG2-CD2 4.18Å; V114-F144 HydrophobicContact CG2-CE2 4.01Å; V114-V145 HydrophobicContact CG2-CB 4.05Å; V114-V145 HydrophobicContact CG2-CG1 3.98Å; V114-V145 HydrophobicContact CG2-CG2 3.75Å; V114-S148 WeakPolarHBondContact CG1-OG 3.29Å
115	R	94.1	Very high	89.9	Confident	80 Å²	80	41.1 Å²	41.1	30%	0.302	20%	0.199	S	C	.	.	H	α-helix	trans	-67.8	-33.8	-178.3	-168.3	58.3	177.7	163.1	6.3	112.6	E73 Y91 R111 I112 E118 L119	E73-R115 IonicContact OE1-CZ 3.25Å; E73-R115 VanDerWaalsContact OE1-CZ 3.27Å; E73-R115 IonicContact OE1-NE 3.91Å; E73-R115 PolarHBondContact OE1-NE 2.86Å; E73-R115 IonicContact OE1-NH2 1.96Å; E73-R115 PolarHBondContact OE1-NH2 3.08Å; E73-R115 IonicContact OE2-NE 3.51Å; Y91-R115 HydrophobicContact CE1-CB 3.76Å; Y91-R115 HydrophobicContact CE1-CG 3.87Å; R111-R115 VanDerWaalsContact O-CB 3.29Å; R111-R115 WeakPolarHBondContact O-CB 3.09Å; R111-R115 PolarHBondContact O-N 2.77Å; I112-R115 PolarHBondContact O-N 2.56Å; R115-E118 WeakPolarHBondContact CD-OE2 3.44Å; R115-E118 IonicContact CZ-OE2 2.68Å; R115-E118 IonicContact NH1-OE2 3Å; R115-E118 PolarHBondContact NH1-OE2 3.43Å; R115-E118 PolarHBondContact O-N 2.78Å; R115-L119 HydrophobicContact CG-CD1 4.45Å; R115-L119 WeakPolarHBondContact O-CB 3.4Å; R115-L119 VanDerWaalsContact O-CG 3.3Å; R115-L119 WeakPolarHBondContact O-CG 3.23Å; R115-L119 PolarHBondContact O-N 3.18Å
116	F	93.8	Very high	89.3	Confident	11 Å²	11	41.2 Å²	41.2	5%	0.048	20%	0.203	C	C	.	.	H	α-helix	trans	-61.3	-45.2	171.1	-179	-122.5	0	0	0	112.3	I88 Y91 I95 I112 V114 L119 K120 Y131	I88-F116 HydrophobicContact CG2-CD2 4.47Å; I88-F116 HydrophobicContact CG2-CE2 3.81Å; I88-F116 WeakPolarHBondContact O-CE2 3.31Å; Y91-F116 VanDerWaalsContact CB-CD2 3.49Å; Y91-F116 HydrophobicContact CD1-CB 4.19Å; Y91-F116 HydrophobicContact CG-CB 4.46Å; I95-F116 HydrophobicContact CD1-CB 3.68Å; I95-F116 HydrophobicContact CD1-CD1 3.33Å; I95-F116 HydrophobicContact CD1-CD2 4.45Å; I95-F116 HydrophobicContact CD1-CE1 3.98Å; I95-F116 HydrophobicContact CD1-CG 3.59Å; I112-F116 WeakPolarHBondContact O-CB 3.47Å; I112-F116 PolarHBondContact O-N 3.38Å; V114-F116 VanDerWaalsContact C-N 3.33Å; V114-F116 PolarHBondContact O-N 2.83Å; F116-L119 PolarHBondContact O-N 3.1Å; F116-K120 PolarHBondContact O-N 3.39Å; F116-Y131 AromaticContact CD1-CD1 3.95Å; F116-Y131 HydrophobicContact CD1-CD1 3.95Å; F116-Y131 HydrophobicContact CD1-CE1 4.48Å; F116-Y131 AromaticContact CE1-CD1 3.44Å; F116-Y131 HydrophobicContact CE1-CD1 3.44Å; F116-Y131 VanDerWaalsContact CE1-CD1 3.44Å; F116-Y131 AromaticContact CE1-CE1 3.55Å; F116-Y131 HydrophobicContact CE1-CE1 3.55Å; F116-Y131 HydrophobicContact CE1-CG 4.34Å; F116-Y131 HydrophobicContact CZ-CD1 4.34Å; F116-Y131 HydrophobicContact CZ-CE1 4.07Å
117	A	92.5	Very high	88.7	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.5	-39.2	176	0	0	0	0	0	112.5	Q113 V114 K120 A121 F132	Q113-A117 PolarHBondContact O-N 3.01Å; Q113-A117 VanDerWaalsContact O-N 3.16Å; V114-A117 PolarHBondContact O-N 3.29Å; A117-K120 PolarHBondContact O-N 2.9Å; A117-A121 PolarHBondContact O-N 2.77Å; A117-F132 HydrophobicContact CB-CB 4.49Å; A117-F132 HydrophobicContact CB-CD1 3.63Å; A117-F132 HydrophobicContact CB-CD2 3.97Å; A117-F132 HydrophobicContact CB-CE1 3.68Å; A117-F132 HydrophobicContact CB-CE2 4.02Å; A117-F132 HydrophobicContact CB-CG 3.76Å; A117-F132 HydrophobicContact CB-CZ 3.88Å
118	E	91.7	Very high	88.4	Confident	54 Å²	54	40.8 Å²	40.8	25%	0.252	20%	0.203	S	C	.	.	H	α-helix	trans	-64.1	-41.5	173.5	-71.6	173.7	-177	0	0	112.6	V114 R115 A121 I122 F132 S148	V114-E118 HydrophobicContact CG1-CG 4.37Å; V114-E118 WeakPolarHBondContact CG1-OE1 3.36Å; V114-E118 WeakPolarHBondContact O-CG 3.37Å; V114-E118 PolarHBondContact O-N 3.37Å; R115-E118 WeakPolarHBondContact CD-OE2 3.44Å; R115-E118 IonicContact CZ-OE2 2.68Å; R115-E118 IonicContact NH1-OE2 3Å; R115-E118 PolarHBondContact NH1-OE2 3.43Å; R115-E118 PolarHBondContact O-N 2.78Å; E118-A121 PolarHBondContact O-N 3.36Å; E118-I122 PolarHBondContact O-N 3.08Å; E118-F132 HydrophobicContact CG-CE1 4.04Å; E118-F132 HydrophobicContact CG-CZ 3.89Å; E118-S148 PolarHBondContact OE1-OG 2.96Å
119	L	90	Very high	88.3	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-66.6	-38.4	174.5	-70.4	170.9	0	0	0	111.7	L84 L87 I88 Y91 R115 F116 A121 I122	L84-L119 HydrophobicContact CD1-CD2 3.98Å; L87-L119 HydrophobicContact CD2-CD1 3.89Å; L87-L119 HydrophobicContact CD2-CD2 4.07Å; L87-L119 HydrophobicContact CG-CD1 4.02Å; I88-L119 HydrophobicContact CD1-CB 4.37Å; I88-L119 HydrophobicContact CG1-CB 3.84Å; Y91-L119 HydrophobicContact CD2-CD1 3.58Å; Y91-L119 HydrophobicContact CE2-CD1 3.6Å; Y91-L119 HydrophobicContact CG-CD1 4.24Å; R115-L119 HydrophobicContact CG-CD1 4.45Å; R115-L119 WeakPolarHBondContact O-CB 3.4Å; R115-L119 VanDerWaalsContact O-CG 3.3Å; R115-L119 WeakPolarHBondContact O-CG 3.23Å; R115-L119 PolarHBondContact O-N 3.18Å; F116-L119 PolarHBondContact O-N 3.1Å; L119-A121 VanDerWaalsContact C-N 3.34Å; L119-A121 PolarHBondContact O-N 3.39Å; L119-I122 HydrophobicContact CD2-CD1 4.34Å; L119-I122 WeakPolarHBondContact O-CB 3.43Å; L119-I122 PolarHBondContact O-N 2.75Å
120	K	89	Confident	88.1	Confident	24 Å²	24	47.8 Å²	47.8	10%	0.104	23%	0.234	C	C	.	.	H	α-helix	trans	-66	-33.3	173.3	-94.2	-63.7	-165.3	-173.3	0	113	F116 A117 I122 Q123 E124 Y131	F116-K120 PolarHBondContact O-N 3.39Å; A117-K120 PolarHBondContact O-N 2.9Å; K120-I122 PolarHBondContact O-N 3.31Å; K120-Q123 PolarHBondContact O-N 3.29Å; K120-E124 IonicContact NZ-OE2 2.69Å; K120-E124 PolarHBondContact NZ-OE2 3.1Å; K120-E124 PolarHBondContact O-N 3.21Å; K120-Y131 HydrophobicContact CB-CD2 3.96Å; K120-Y131 HydrophobicContact CB-CE2 4.21Å; K120-Y131 HydrophobicContact CD-CE2 4.11Å; K120-Y131 HydrophobicContact CG-CD2 3.95Å; K120-Y131 HydrophobicContact CG-CE2 3.77Å
121	A	88.2	Confident	88.1	Confident	30 Å²	30	51.1 Å²	51.1	25%	0.248	25%	0.247	C	C	.	.	H	α-helix	trans	-65.4	-17.7	173.6	0	0	0	0	0	114.6	A117 E118 L119 A128 F132 F152	A117-A121 PolarHBondContact O-N 2.77Å; E118-A121 PolarHBondContact O-N 3.36Å; L119-A121 VanDerWaalsContact C-N 3.34Å; L119-A121 PolarHBondContact O-N 3.39Å; A121-A128 VanDerWaalsContact CA-CB 3.43Å; A121-A128 HydrophobicContact CB-CB 3.72Å; A121-F132 HydrophobicContact CB-CE2 4.19Å; A121-F152 HydrophobicContact CB-CD2 4.03Å; A121-F152 HydrophobicContact CB-CE2 4.21Å
122	I	85.4	Confident	88.1	Confident	107 Å²	107	45.8 Å²	45.8	55%	0.549	23%	0.227	S	C	.	.	H	α-helix	trans	-79.8	-31.6	170.9	-62.4	161.5	0	0	0	111	L84 E118 L119 K120	L84-I122 HydrophobicContact CD2-CB 4.35Å; L84-I122 HydrophobicContact CD2-CG2 3.79Å; E118-I122 PolarHBondContact O-N 3.08Å; L119-I122 HydrophobicContact CD2-CD1 4.34Å; L119-I122 WeakPolarHBondContact O-CB 3.43Å; L119-I122 PolarHBondContact O-N 2.75Å; K120-I122 PolarHBondContact O-N 3.31Å
123	Q	77.9	Confident	88	Confident	58 Å²	58	47.4 Å²	47.4	27%	0.271	24%	0.235	S	C	.	.	H	α-helix	trans	-86.8	-56.2	-176.9	-179.5	170.5	33.9	0	0	112.7	N85 I88 K120	N85-Q123 PolarHBondContact OD1-NE2 2.82Å; I88-Q123 HydrophobicContact CD1-CB 4.29Å; K120-Q123 PolarHBondContact O-N 3.29Å
124	E	80.6	Confident	87.9	Confident	76 Å²	76	50.5 Å²	50.5	36%	0.355	25%	0.25	S	C	.	.			trans	-137.9	89.4	-171.5	-76.8	140.5	170	0	0	108.4	K120 D126 D127 A128	K120-E124 IonicContact NZ-OE2 2.69Å; K120-E124 PolarHBondContact NZ-OE2 3.1Å; K120-E124 PolarHBondContact O-N 3.21Å; E124-D126 VanDerWaalsContact C-N 3.27Å; E124-D126 PolarHBondContact O-N 2.63Å; E124-D127 HydrophobicContact CB-CB 4.18Å; E124-D127 PolarHBondContact O-N 2.82Å; E124-A128 VanDerWaalsContact O-CB 3.3Å; E124-A128 WeakPolarHBondContact O-CB 3.28Å; E124-A128 PolarHBondContact O-N 3.04Å
125	P	76.3	Confident	87.8	Confident	51 Å²	51	50.2 Å²	50.2	33%	0.331	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-27.8	-172.4	23.9	-33.4	0	0	0	113.8	F152	P125-F152 WeakPolarHBondContact O-CE2 3.36Å; P125-F152 WeakPolarHBondContact O-CZ 3.21Å
126	D	74.7	Confident	87.8	Confident	122 Å²	122	49 Å²	49	65%	0.652	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-48.6	178.1	-65.7	-66	0	0	0	112	E124	E124-D126 VanDerWaalsContact C-N 3.27Å; E124-D126 PolarHBondContact O-N 2.63Å
127	D	79.6	Confident	87.6	Confident	99 Å²	99	51.7 Å²	51.7	53%	0.529	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-27.7	178.5	-72.9	5	0	0	0	112.5	E124 R129 D130	E124-D127 HydrophobicContact CB-CB 4.18Å; E124-D127 PolarHBondContact O-N 2.82Å; D127-R129 PolarHBondContact O-N 3.37Å; D127-D130 PolarHBondContact O-N 2.83Å; D127-D130 VanDerWaalsContact O-N 3.15Å
128	A	84.8	Confident	87.5	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-52.9	-29.5	178.8	0	0	0	0	0	113.9	A121 E124 D130 Y131 F132 F152	A121-A128 VanDerWaalsContact CA-CB 3.43Å; A121-A128 HydrophobicContact CB-CB 3.72Å; E124-A128 VanDerWaalsContact O-CB 3.3Å; E124-A128 WeakPolarHBondContact O-CB 3.28Å; E124-A128 PolarHBondContact O-N 3.04Å; A128-D130 VanDerWaalsContact C-N 3.26Å; A128-D130 PolarHBondContact O-N 2.81Å; A128-Y131 PolarHBondContact O-N 2.96Å; A128-F132 VanDerWaalsContact O-CD2 3.29Å; A128-F132 WeakPolarHBondContact O-CD2 3.45Å; A128-F132 PolarHBondContact O-N 3.23Å; A128-F152 HydrophobicContact CB-CE2 3.86Å; A128-F152 HydrophobicContact CB-CZ 4.19Å
129	R	91.3	Very high	87.6	Confident	65 Å²	65	51.2 Å²	51.2	25%	0.245	27%	0.268	C	S	.	.	H	α-helix	trans	-52.5	-42.4	178.6	178.1	171	-80.6	132.7	-3.3	112.2	D127 F132 Q133 F149 F152 E153 N158	D127-R129 PolarHBondContact O-N 3.37Å; R129-F132 PolarHBondContact O-N 3.3Å; R129-Q133 WeakPolarHBondContact O-CG 3.24Å; R129-Q133 PolarHBondContact O-N 2.88Å; R129-F149 HydrophobicContact CG-CE2 4.31Å; R129-F149 HydrophobicContact CG-CZ 4.48Å; R129-F152 HydrophobicContact CB-CE1 3.83Å; R129-F152 HydrophobicContact CB-CZ 4.07Å; R129-F152 HydrophobicContact CG-CE1 4.35Å; R129-E153 IonicContact CZ-OE1 3.99Å; R129-E153 IonicContact CZ-OE2 2.72Å; R129-E153 IonicContact NE-OE1 3.93Å; R129-E153 PolarHBondContact NE-OE1 3.38Å; R129-E153 IonicContact NE-OE2 2.65Å; R129-E153 IonicContact NH2-OE1 3.36Å; R129-E153 PolarHBondContact NH2-OE1 3.44Å; R129-E153 IonicContact NH2-OE2 2.69Å; R129-E153 PolarHBondContact NH2-OE2 2.89Å; R129-N158 PolarHBondContact NH2-ND2 3.42Å
130	D	90.4	Very high	87.7	Confident	100 Å²	100	57.3 Å²	57.3	54%	0.535	29%	0.294	S	S	.	.	H	α-helix	trans	-76.3	-30.3	-173.7	-75.9	-9.4	0	0	0	113.1	D127 A128 F132 Q133 M134	D127-D130 PolarHBondContact O-N 2.83Å; D127-D130 VanDerWaalsContact O-N 3.15Å; A128-D130 VanDerWaalsContact C-N 3.26Å; A128-D130 PolarHBondContact O-N 2.81Å; D130-F132 VanDerWaalsContact C-N 3.34Å; D130-F132 PolarHBondContact O-N 3.32Å; D130-Q133 WeakPolarHBondContact O-CB 3.38Å; D130-Q133 PolarHBondContact O-N 3.25Å; D130-Q133 VanDerWaalsContact O-N 3.16Å; D130-Q133 PolarHBondContact OD1-NE2 3.46Å; D130-M134 WeakPolarHBondContact O-CB 3.31Å; D130-M134 PolarHBondContact O-N 3.47Å
131	Y	92.4	Very high	87.8	Confident	71 Å²	71	61 Å²	61	28%	0.278	31%	0.31	S	S	.	.	H	α-helix	trans	-65.1	-37	170.5	-59.3	-75.1	0	0	0	111.9	F116 K120 A128 M134 A135	F116-Y131 AromaticContact CD1-CD1 3.95Å; F116-Y131 HydrophobicContact CD1-CD1 3.95Å; F116-Y131 HydrophobicContact CD1-CE1 4.48Å; F116-Y131 AromaticContact CE1-CD1 3.44Å; F116-Y131 HydrophobicContact CE1-CD1 3.44Å; F116-Y131 VanDerWaalsContact CE1-CD1 3.44Å; F116-Y131 AromaticContact CE1-CE1 3.55Å; F116-Y131 HydrophobicContact CE1-CE1 3.55Å; F116-Y131 HydrophobicContact CE1-CG 4.34Å; F116-Y131 HydrophobicContact CZ-CD1 4.34Å; F116-Y131 HydrophobicContact CZ-CE1 4.07Å; K120-Y131 HydrophobicContact CB-CD2 3.96Å; K120-Y131 HydrophobicContact CB-CE2 4.21Å; K120-Y131 HydrophobicContact CD-CE2 4.11Å; K120-Y131 HydrophobicContact CG-CD2 3.95Å; K120-Y131 HydrophobicContact CG-CE2 3.77Å; A128-Y131 PolarHBondContact O-N 2.96Å; Y131-M134 HydrophobicContact CD1-CE 4.2Å; Y131-M134 PolarHBondContact O-N 2.86Å; Y131-A135 WeakPolarHBondContact O-CB 3.32Å; Y131-A135 PolarHBondContact O-N 3.29Å
132	F	94.3	Very high	88.1	Confident	4 Å²	4	60.4 Å²	60.4	2%	0.018	30%	0.302	C	S	.	.	H	α-helix	trans	-67.8	-35.6	170.4	-75	-68.4	0	0	0	112.8	A117 E118 A121 A128 R129 D130 R136 F149 F152	A117-F132 HydrophobicContact CB-CB 4.49Å; A117-F132 HydrophobicContact CB-CD1 3.63Å; A117-F132 HydrophobicContact CB-CD2 3.97Å; A117-F132 HydrophobicContact CB-CE1 3.68Å; A117-F132 HydrophobicContact CB-CE2 4.02Å; A117-F132 HydrophobicContact CB-CG 3.76Å; A117-F132 HydrophobicContact CB-CZ 3.88Å; E118-F132 HydrophobicContact CG-CE1 4.04Å; E118-F132 HydrophobicContact CG-CZ 3.89Å; A121-F132 HydrophobicContact CB-CE2 4.19Å; A128-F132 VanDerWaalsContact O-CD2 3.29Å; A128-F132 WeakPolarHBondContact O-CD2 3.45Å; A128-F132 PolarHBondContact O-N 3.23Å; R129-F132 PolarHBondContact O-N 3.3Å; D130-F132 VanDerWaalsContact C-N 3.34Å; D130-F132 PolarHBondContact O-N 3.32Å; F132-R136 WeakPolarHBondContact O-CB 3.37Å; F132-R136 PolarHBondContact O-N 2.97Å; F132-F149 HydrophobicContact CB-CB 3.93Å; F132-F149 HydrophobicContact CB-CD1 4.3Å; F132-F149 HydrophobicContact CB-CD2 3.37Å; F132-F149 HydrophobicContact CB-CE2 3.9Å; F132-F149 HydrophobicContact CB-CG 3.63Å; F132-F149 HydrophobicContact CD1-CB 4.12Å; F132-F149 HydrophobicContact CD2-CD2 4.42Å; F132-F149 HydrophobicContact CG-CB 4.24Å; F132-F149 AromaticContact CG-CD2 3.94Å; F132-F149 HydrophobicContact CG-CD2 3.94Å; F132-F149 HydrophobicContact CG-CG 4.32Å; F132-F152 HydrophobicContact CD2-CB 3.94Å; F132-F152 AromaticContact CD2-CD1 3.83Å; F132-F152 HydrophobicContact CD2-CD1 3.83Å; F132-F152 HydrophobicContact CD2-CD2 4.08Å; F132-F152 HydrophobicContact CD2-CE1 4.38Å; F132-F152 AromaticContact CD2-CG 3.67Å; F132-F152 HydrophobicContact CD2-CG 3.67Å; F132-F152 HydrophobicContact CE2-CB 3.56Å; F132-F152 HydrophobicContact CE2-CD1 4.13Å; F132-F152 AromaticContact CE2-CD2 3.59Å; F132-F152 HydrophobicContact CE2-CD2 3.59Å; F132-F152 HydrophobicContact CE2-CE2 4.32Å; F132-F152 AromaticContact CE2-CG 3.47Å; F132-F152 HydrophobicContact CE2-CG 3.47Å; F132-F152 VanDerWaalsContact CE2-CG 3.47Å; F132-F152 HydrophobicContact CZ-CB 3.9Å; F132-F152 HydrophobicContact CZ-CG 4.31Å
133	Q	92.7	Very high	88.5	Confident	35 Å²	35	55.3 Å²	55.3	16%	0.164	28%	0.276	C	S	.	.	H	α-helix	trans	-63.8	-43.5	173.6	-64.8	-160.2	90.9	0	0	111.6	R129 D130 R136 A137 F149	R129-Q133 WeakPolarHBondContact O-CG 3.24Å; R129-Q133 PolarHBondContact O-N 2.88Å; D130-Q133 WeakPolarHBondContact O-CB 3.38Å; D130-Q133 PolarHBondContact O-N 3.25Å; D130-Q133 VanDerWaalsContact O-N 3.16Å; D130-Q133 PolarHBondContact OD1-NE2 3.46Å; Q133-R136 PolarHBondContact O-N 3.14Å; Q133-A137 WeakPolarHBondContact O-CB 3.19Å; Q133-A137 PolarHBondContact O-N 3.21Å; Q133-F149 HydrophobicContact CG-CE1 3.9Å; Q133-F149 HydrophobicContact CG-CZ 3.68Å
134	M	91.1	Very high	89.3	Confident	67 Å²	67	54.1 Å²	54.1	33%	0.33	27%	0.27	S	S	.	.	H	α-helix	trans	-60.9	-49.9	175.2	-178.7	179.9	71	0	0	111.5	D130 Y131 R136 A137 N138	D130-M134 WeakPolarHBondContact O-CB 3.31Å; D130-M134 PolarHBondContact O-N 3.47Å; Y131-M134 HydrophobicContact CD1-CE 4.2Å; Y131-M134 PolarHBondContact O-N 2.86Å; M134-R136 VanDerWaalsContact C-N 3.3Å; M134-R136 PolarHBondContact O-N 3.12Å; M134-A137 PolarHBondContact O-N 2.77Å; M134-A137 VanDerWaalsContact O-N 3.09Å; M134-N138 WeakPolarHBondContact CG-ND2 3.45Å; M134-N138 PolarHBondContact O-N 3.09Å; M134-N138 PolarHBondContact O-ND2 2.93Å
135	A	92.4	Very high	90.1	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.008	25%	0.253	C	S	.	.	H	α-helix	trans	-55.2	-45.7	176.1	0	0	0	0	0	111.7	Q113 V114 Y131 A137 C139 V145	Q113-A135 HydrophobicContact CB-CB 3.94Å; V114-A135 HydrophobicContact CG2-CB 4.31Å; Y131-A135 WeakPolarHBondContact O-CB 3.32Å; Y131-A135 PolarHBondContact O-N 3.29Å; A135-A137 PolarHBondContact O-N 3.3Å; A135-C139 WeakPolarHBondContact O-CB 3.42Å; A135-C139 PolarHBondContact O-N 3.31Å; A135-V145 HydrophobicContact CB-CG1 4.1Å; A135-V145 WeakPolarHBondContact O-CG1 3.47Å
136	R	94	Very high	91	Very high	53 Å²	53	48.2 Å²	48.2	20%	0.2	24%	0.238	C	C	.	.	H	α-helix	trans	-67.5	-32.1	177.3	-171.1	-166.6	57.8	172.5	-5.5	113.4	F132 Q133 M134 K140 V145 H146	F132-R136 WeakPolarHBondContact O-CB 3.37Å; F132-R136 PolarHBondContact O-N 2.97Å; Q133-R136 PolarHBondContact O-N 3.14Å; M134-R136 VanDerWaalsContact C-N 3.3Å; M134-R136 PolarHBondContact O-N 3.12Å; R136-K140 WeakPolarHBondContact O-CA 3.35Å; R136-K140 WeakPolarHBondContact O-CB 3.48Å; R136-K140 PolarHBondContact O-N 3.31Å; R136-V145 HydrophobicContact CB-CG1 4.24Å; R136-H146 WeakPolarHBondContact CG-ND1 3.43Å
137	A	91.4	Very high	91.9	Very high	68 Å²	68	42.8 Å²	42.8	56%	0.562	21%	0.209	S	C	*	.	H	α-helix	trans	-69.3	-50.1	177.7	0	0	0	0	0	111.3	Q133 M134 A135	Q133-A137 WeakPolarHBondContact O-CB 3.19Å; Q133-A137 PolarHBondContact O-N 3.21Å; M134-A137 PolarHBondContact O-N 2.77Å; M134-A137 VanDerWaalsContact O-N 3.09Å; A135-A137 PolarHBondContact O-N 3.3Å
138	N	90.4	Very high	92.7	Very high	45 Å²	45	39.2 Å²	39.2	24%	0.241	19%	0.192	C	C	.	.	H	α-helix	trans	-68.1	-46.8	-179	-64.9	-33.7	0	0	0	112	P100 F109 Q113 M134	P100-N138 HydrophobicContact CB-CB 4.17Å; P100-N138 WeakPolarHBondContact CB-OD1 3.46Å; F109-N138 HydrophobicContact CE1-CB 4.43Å; Q113-N138 PolarHBondContact NE2-ND2 3.43Å; Q113-N138 VanDerWaalsContact NE2-ND2 3.12Å; Q113-N138 PolarHBondContact OE1-ND2 2.77Å; M134-N138 WeakPolarHBondContact CG-ND2 3.45Å; M134-N138 PolarHBondContact O-N 3.09Å; M134-N138 PolarHBondContact O-ND2 2.93Å
139	C	92.4	Very high	93.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	33.8	-164.6	-60.2	0	0	0	0	112.8	A110 A135 K141 F142 V145	A110-C139 HydrophobicContact CB-CB 3.58Å; A135-C139 WeakPolarHBondContact O-CB 3.42Å; A135-C139 PolarHBondContact O-N 3.31Å; C139-K141 PolarHBondContact O-N 2.87Å; C139-F142 HydrophobicContact CB-CD2 4.15Å; C139-F142 PolarHBondContact O-N 2.95Å; C139-V145 HydrophobicContact CB-CG2 4.05Å
140	K	91.6	Very high	93.4	Very high	128 Å²	128	36.2 Å²	36.2	56%	0.557	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-16.6	-170.6	68.7	-172.9	177.6	-173.8	0	116.8	R136 H146	R136-K140 WeakPolarHBondContact O-CA 3.35Å; R136-K140 WeakPolarHBondContact O-CB 3.48Å; R136-K140 PolarHBondContact O-N 3.31Å; K140-H146 PolarHBondContact O-NE2 3.45Å
141	K	92.3	Very high	93.6	Very high	100 Å²	100	33.7 Å²	33.7	44%	0.435	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-27.2	179.5	178.9	178.3	171.8	-171	0	113.4	C139 A174 V175	C139-K141 PolarHBondContact O-N 2.87Å; K141-A174 CarbonylContact O-C 3.58Å; K141-A174 VanDerWaalsContact O-CA 3.22Å; K141-A174 WeakPolarHBondContact O-CA 3.49Å; K141-V175 HydrophobicContact CG-CG2 4.14Å; K141-V175 PolarHBondContact O-N 2.99Å
142	F	95.1	Very high	93.7	Very high	18 Å²	18	30.8 Å²	30.8	8%	0.079	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-94.7	124.2	-168.3	-60.7	-79.8	0	0	0	112.2	Q105 E107 A110 C139 F144 V145 H146	Q105-F142 WeakPolarHBondContact O-CZ 3.39Å; E107-F142 HydrophobicContact CB-CE1 3.75Å; E107-F142 HydrophobicContact CB-CZ 3.99Å; E107-F142 HydrophobicContact CG-CD1 4.1Å; E107-F142 HydrophobicContact CG-CE1 3.79Å; E107-F142 HydrophobicContact CG-CZ 4.41Å; A110-F142 HydrophobicContact CB-CD2 3.63Å; A110-F142 HydrophobicContact CB-CE2 3.88Å; A110-F142 HydrophobicContact CB-CG 4.26Å; C139-F142 HydrophobicContact CB-CD2 4.15Å; C139-F142 PolarHBondContact O-N 2.95Å; F142-F144 VanDerWaalsContact C-N 3.33Å; F142-F144 HydrophobicContact CB-CD1 3.9Å; F142-F144 HydrophobicContact CB-CE1 3.62Å; F142-F144 HydrophobicContact CB-CZ 4.14Å; F142-F144 AromaticContact CD1-CE1 3.93Å; F142-F144 HydrophobicContact CD1-CE1 3.93Å; F142-F144 AromaticContact CG-CE1 3.92Å; F142-F144 HydrophobicContact CG-CE1 3.92Å; F142-F144 HydrophobicContact CG-CZ 4.36Å; F142-F144 PolarHBondContact O-N 3.07Å; F142-V145 HydrophobicContact CB-CG2 3.79Å; F142-V145 WeakPolarHBondContact O-CB 3.44Å; F142-V145 PolarHBondContact O-N 2.93Å; F142-H146 PolarHBondContact O-CD2 3.46Å; F142-H146 VanDerWaalsContact O-CD2 3.29Å
143	A	93.9	Very high	93.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-55.7	-44.5	-179.8	0	0	0	0	0	112.6	V145 H146 I147 V175 P176 M179 L180	A143-V145 PolarHBondContact O-N 2.92Å; A143-V145 VanDerWaalsContact O-N 3.16Å; A143-H146 PolarHBondContact O-N 3.28Å; A143-H146 VanDerWaalsContact O-N 3.13Å; A143-I147 HydrophobicContact CB-CD1 4.32Å; A143-I147 VanDerWaalsContact O-CG1 3.31Å; A143-I147 WeakPolarHBondContact O-CG1 3.27Å; A143-I147 PolarHBondContact O-N 3.38Å; A143-V175 WeakPolarHBondContact CB-O 3.48Å; A143-V175 PolarHBondContact N-O 3.06Å; A143-P176 VanDerWaalsContact CB-O 3.28Å; A143-P176 WeakPolarHBondContact CB-O 3.44Å; A143-M179 HydrophobicContact CB-CB 4.24Å; A143-M179 HydrophobicContact CB-SD 4.15Å; A143-L180 HydrophobicContact CB-CD1 4.31Å; A143-L180 HydrophobicContact CB-CD2 4.01Å; A143-L180 HydrophobicContact CB-CG 3.8Å
144	F	94.8	Very high	93.6	Very high	34 Å²	34	30.1 Å²	30.1	15%	0.149	15%	0.152	C	C	.	.	H	α-helix	trans	-59.5	-29.5	-178	71.7	-98.8	0	0	0	113.4	E107 A110 R111 V114 F142 I147 S148 M179	E107-F144 HydrophobicContact CG-CE1 3.84Å; E107-F144 HydrophobicContact CG-CZ 4.17Å; A110-F144 HydrophobicContact CB-CE2 4.21Å; A110-F144 HydrophobicContact CB-CZ 3.67Å; R111-F144 HydrophobicContact CG-CE2 3.95Å; R111-F144 HydrophobicContact CG-CZ 3.7Å; V114-F144 HydrophobicContact CB-CE2 4.45Å; V114-F144 HydrophobicContact CG2-CD2 4.18Å; V114-F144 HydrophobicContact CG2-CE2 4.01Å; F142-F144 VanDerWaalsContact C-N 3.33Å; F142-F144 HydrophobicContact CB-CD1 3.9Å; F142-F144 HydrophobicContact CB-CE1 3.62Å; F142-F144 HydrophobicContact CB-CZ 4.14Å; F142-F144 AromaticContact CD1-CE1 3.93Å; F142-F144 HydrophobicContact CD1-CE1 3.93Å; F142-F144 AromaticContact CG-CE1 3.92Å; F142-F144 HydrophobicContact CG-CE1 3.92Å; F142-F144 HydrophobicContact CG-CZ 4.36Å; F142-F144 PolarHBondContact O-N 3.07Å; F144-I147 PolarHBondContact O-N 2.87Å; F144-S148 PolarHBondContact O-N 3.39Å; F144-M179 HydrophobicContact CB-SD 4Å
145	V	95.8	Very high	93.5	Very high	1 Å²	1	31 Å²	31	1%	0.006	16%	0.164	C	C	.	.	H	α-helix	trans	-66.8	-43.9	178.3	-179.2	0	0	0	0	111	A110 V114 A135 R136 C139 F142 A143 I147 F149	A110-V145 HydrophobicContact CB-CG2 4.07Å; V114-V145 HydrophobicContact CG2-CB 4.05Å; V114-V145 HydrophobicContact CG2-CG1 3.98Å; V114-V145 HydrophobicContact CG2-CG2 3.75Å; A135-V145 HydrophobicContact CB-CG1 4.1Å; A135-V145 WeakPolarHBondContact O-CG1 3.47Å; R136-V145 HydrophobicContact CB-CG1 4.24Å; C139-V145 HydrophobicContact CB-CG2 4.05Å; F142-V145 HydrophobicContact CB-CG2 3.79Å; F142-V145 WeakPolarHBondContact O-CB 3.44Å; F142-V145 PolarHBondContact O-N 2.93Å; A143-V145 PolarHBondContact O-N 2.92Å; A143-V145 VanDerWaalsContact O-N 3.16Å; V145-I147 VanDerWaalsContact C-N 3.34Å; V145-F149 PolarHBondContact O-N 3.26Å
146	H	95.8	Very high	93.3	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.009	18%	0.181	C	C	.	.	H	α-helix	trans	-69.5	-34.1	174.9	-56.6	-87.7	0	0	0	111.5	R136 K140 F142 A143 A150 A169	R136-H146 WeakPolarHBondContact CG-ND1 3.43Å; K140-H146 PolarHBondContact O-NE2 3.45Å; F142-H146 PolarHBondContact O-CD2 3.46Å; F142-H146 VanDerWaalsContact O-CD2 3.29Å; A143-H146 PolarHBondContact O-N 3.28Å; A143-H146 VanDerWaalsContact O-N 3.13Å; H146-A150 VanDerWaalsContact O-CB 3.27Å; H146-A150 WeakPolarHBondContact O-CB 3.43Å; H146-A150 PolarHBondContact O-N 2.9Å; H146-A169 HydrophobicContact CB-CB 3.6Å; H146-A169 VanDerWaalsContact CG-CB 3.45Å
147	I	94.6	Very high	93	Very high	7 Å²	7	34.6 Å²	34.6	4%	0.036	20%	0.198	C	C	.	.	H	α-helix	trans	-72.6	-43	-179.3	-63.7	164.8	0	0	0	111.9	A143 F144 V145 F149 A150 Q151 L166 M179 L180 A183 L194 L195	A143-I147 HydrophobicContact CB-CD1 4.32Å; A143-I147 VanDerWaalsContact O-CG1 3.31Å; A143-I147 WeakPolarHBondContact O-CG1 3.27Å; A143-I147 PolarHBondContact O-N 3.38Å; F144-I147 PolarHBondContact O-N 2.87Å; V145-I147 VanDerWaalsContact C-N 3.34Å; I147-F149 VanDerWaalsContact C-N 3.31Å; I147-F149 PolarHBondContact O-N 3.48Å; I147-A150 CarbonylContact O-C 3.54Å; I147-A150 PolarHBondContact O-N 2.81Å; I147-Q151 VanDerWaalsContact O-CB 3.25Å; I147-Q151 WeakPolarHBondContact O-CB 3.49Å; I147-Q151 PolarHBondContact O-N 2.94Å; I147-L166 HydrophobicContact CB-CD2 4.41Å; I147-L166 HydrophobicContact CG1-CD2 3.66Å; I147-M179 HydrophobicContact CD1-CB 4.25Å; I147-M179 HydrophobicContact CD1-CG 3.53Å; I147-M179 WeakPolarHBondContact CD1-O 3.47Å; I147-M179 HydrophobicContact CD1-SD 4.09Å; I147-L180 HydrophobicContact CD1-CD2 3.96Å; I147-L180 HydrophobicContact CG1-CD2 3.86Å; I147-A183 HydrophobicContact CD1-CB 4.03Å; I147-A183 HydrophobicContact CG1-CB 3.98Å; I147-A183 HydrophobicContact CG2-CB 4.19Å; I147-L194 HydrophobicContact CG2-CB 4.11Å; I147-L194 HydrophobicContact CG2-CD1 4.19Å; I147-L195 HydrophobicContact CD1-CD1 4.05Å; I147-L195 HydrophobicContact CG2-CD1 3.87Å; I147-L195 HydrophobicContact CG2-CG 4.07Å
148	S	94.8	Very high	93	Very high	25 Å²	25	34.4 Å²	34.4	18%	0.175	19%	0.187	C	C	.	.	H	α-helix	trans	-62.3	-38.2	174.1	-77.3	0	0	0	0	111.4	V114 E118 F144 Q151 F152	V114-S148 WeakPolarHBondContact CG1-OG 3.29Å; E118-S148 PolarHBondContact OE1-OG 2.96Å; F144-S148 PolarHBondContact O-N 3.39Å; S148-Q151 PolarHBondContact O-N 3.31Å; S148-F152 PolarHBondContact O-N 3.01Å
149	F	95.8	Very high	93	Very high	1 Å²	1	35.9 Å²	35.9	0%	0.004	20%	0.198	C	C	.	.	H	α-helix	trans	-67.4	-41.9	173.1	-172.9	-162.5	0	0	0	112.4	R129 F132 Q133 V145 I147 Q151 F152 E153 L165	R129-F149 HydrophobicContact CG-CE2 4.31Å; R129-F149 HydrophobicContact CG-CZ 4.48Å; F132-F149 HydrophobicContact CB-CB 3.93Å; F132-F149 HydrophobicContact CB-CD1 4.3Å; F132-F149 HydrophobicContact CB-CD2 3.37Å; F132-F149 HydrophobicContact CB-CE2 3.9Å; F132-F149 HydrophobicContact CB-CG 3.63Å; F132-F149 HydrophobicContact CD1-CB 4.12Å; F132-F149 HydrophobicContact CD2-CD2 4.42Å; F132-F149 HydrophobicContact CG-CB 4.24Å; F132-F149 AromaticContact CG-CD2 3.94Å; F132-F149 HydrophobicContact CG-CD2 3.94Å; F132-F149 HydrophobicContact CG-CG 4.32Å; Q133-F149 HydrophobicContact CG-CE1 3.9Å; Q133-F149 HydrophobicContact CG-CZ 3.68Å; V145-F149 PolarHBondContact O-N 3.26Å; I147-F149 VanDerWaalsContact C-N 3.31Å; I147-F149 PolarHBondContact O-N 3.48Å; F149-Q151 VanDerWaalsContact C-N 3.27Å; F149-Q151 PolarHBondContact O-N 2.99Å; F149-F152 AromaticContact CD2-CD1 3.99Å; F149-F152 HydrophobicContact CD2-CD1 3.99Å; F149-F152 HydrophobicContact CE2-CD1 4.11Å; F149-F152 HydrophobicContact CE2-CE1 4.45Å; F149-F152 PolarHBondContact O-N 3.27Å; F149-E153 HydrophobicContact CD2-CG 3.97Å; F149-E153 HydrophobicContact CE2-CG 3.7Å; F149-E153 WeakPolarHBondContact CE2-OE1 3.3Å; F149-E153 HydrophobicContact CZ-CG 4.46Å; F149-E153 PolarHBondContact O-N 2.86Å; F149-L165 HydrophobicContact CB-CD1 4.42Å; F149-L165 HydrophobicContact CD1-CD1 3.75Å; F149-L165 HydrophobicContact CD1-CD2 3.71Å; F149-L165 HydrophobicContact CD1-CG 4.4Å; F149-L165 HydrophobicContact CD2-CD1 4.14Å; F149-L165 HydrophobicContact CE1-CD1 4Å; F149-L165 HydrophobicContact CE1-CD2 3.71Å; F149-L165 HydrophobicContact CE2-CD1 4.37Å; F149-L165 HydrophobicContact CG-CD1 3.82Å; F149-L165 HydrophobicContact CZ-CD1 4.3Å
150	A	95.3	Very high	93	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.5	-31.8	174.7	0	0	0	0	0	112.5	H146 I147 L154 S162 L165 L166 L194	H146-A150 VanDerWaalsContact O-CB 3.27Å; H146-A150 WeakPolarHBondContact O-CB 3.43Å; H146-A150 PolarHBondContact O-N 2.9Å; I147-A150 CarbonylContact O-C 3.54Å; I147-A150 PolarHBondContact O-N 2.81Å; A150-L154 VanDerWaalsContact O-CB 3.26Å; A150-L154 WeakPolarHBondContact O-CB 3.38Å; A150-L154 PolarHBondContact O-N 2.85Å; A150-S162 WeakPolarHBondContact O-CB 3.47Å; A150-S162 PolarHBondContact O-OG 2.92Å; A150-L165 HydrophobicContact CB-CB 4.1Å; A150-L165 HydrophobicContact CB-CD1 4.37Å; A150-L166 HydrophobicContact CB-CD1 4.43Å; A150-L166 HydrophobicContact CB-CD2 3.75Å; A150-L166 HydrophobicContact CB-CG 3.79Å; A150-L194 HydrophobicContact CB-CD1 3.7Å
151	Q	94.5	Very high	93	Very high	48 Å²	48	41.9 Å²	41.9	22%	0.224	22%	0.224	C	C	.	.	H	α-helix	trans	-71.4	-41.9	175.1	177.9	62.1	78.5	0	0	111.4	I147 S148 F149 L154 S155 K192 Q193 L194	I147-Q151 VanDerWaalsContact O-CB 3.25Å; I147-Q151 WeakPolarHBondContact O-CB 3.49Å; I147-Q151 PolarHBondContact O-N 2.94Å; S148-Q151 PolarHBondContact O-N 3.31Å; F149-Q151 VanDerWaalsContact C-N 3.27Å; F149-Q151 PolarHBondContact O-N 2.99Å; Q151-L154 WeakPolarHBondContact O-CB 3.13Å; Q151-L154 PolarHBondContact O-N 2.78Å; Q151-S155 PolarHBondContact O-N 2.69Å; Q151-S155 PolarHBondContact O-OG 3.36Å; Q151-K192 PolarHBondContact NE2-O 3.04Å; Q151-K192 VanDerWaalsContact NE2-O 3.1Å; Q151-Q193 VanDerWaalsContact OE1-CA 3.27Å; Q151-L194 HydrophobicContact CB-CD1 4.04Å; Q151-L194 HydrophobicContact CB-CG 4.43Å
152	F	94.3	Very high	93	Very high	9 Å²	9	37.1 Å²	37.1	4%	0.039	20%	0.204	C	C	.	.	H	α-helix	trans	-60.2	-51.5	172.2	163.9	-96.2	0	0	0	110.9	A121 P125 A128 R129 F132 S148 F149 L154 S155 Q156	A121-F152 HydrophobicContact CB-CD2 4.03Å; A121-F152 HydrophobicContact CB-CE2 4.21Å; P125-F152 WeakPolarHBondContact O-CE2 3.36Å; P125-F152 WeakPolarHBondContact O-CZ 3.21Å; A128-F152 HydrophobicContact CB-CE2 3.86Å; A128-F152 HydrophobicContact CB-CZ 4.19Å; R129-F152 HydrophobicContact CB-CE1 3.83Å; R129-F152 HydrophobicContact CB-CZ 4.07Å; R129-F152 HydrophobicContact CG-CE1 4.35Å; F132-F152 HydrophobicContact CD2-CB 3.94Å; F132-F152 AromaticContact CD2-CD1 3.83Å; F132-F152 HydrophobicContact CD2-CD1 3.83Å; F132-F152 HydrophobicContact CD2-CD2 4.08Å; F132-F152 HydrophobicContact CD2-CE1 4.38Å; F132-F152 AromaticContact CD2-CG 3.67Å; F132-F152 HydrophobicContact CD2-CG 3.67Å; F132-F152 HydrophobicContact CE2-CB 3.56Å; F132-F152 HydrophobicContact CE2-CD1 4.13Å; F132-F152 AromaticContact CE2-CD2 3.59Å; F132-F152 HydrophobicContact CE2-CD2 3.59Å; F132-F152 HydrophobicContact CE2-CE2 4.32Å; F132-F152 AromaticContact CE2-CG 3.47Å; F132-F152 HydrophobicContact CE2-CG 3.47Å; F132-F152 VanDerWaalsContact CE2-CG 3.47Å; F132-F152 HydrophobicContact CZ-CB 3.9Å; F132-F152 HydrophobicContact CZ-CG 4.31Å; S148-F152 PolarHBondContact O-N 3.01Å; F149-F152 AromaticContact CD2-CD1 3.99Å; F149-F152 HydrophobicContact CD2-CD1 3.99Å; F149-F152 HydrophobicContact CE2-CD1 4.11Å; F149-F152 HydrophobicContact CE2-CE1 4.45Å; F149-F152 PolarHBondContact O-N 3.27Å; F152-L154 PolarHBondContact O-N 3.11Å; F152-S155 WeakPolarHBondContact CA-OG 3.48Å; F152-S155 PolarHBondContact O-N 2.93Å; F152-S155 PolarHBondContact O-OG 3.17Å; F152-Q156 HydrophobicContact CD2-CG 4.4Å; F152-Q156 HydrophobicContact CE1-CG 4.22Å; F152-Q156 HydrophobicContact CE2-CG 3.96Å; F152-Q156 HydrophobicContact CZ-CG 3.86Å; F152-Q156 WeakPolarHBondContact O-CG 3.3Å; F152-Q156 PolarHBondContact O-N 3.42Å
153	E	93.1	Very high	92.9	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.7	-31.3	177.4	-70	-68	-172.4	0	0	112.2	R129 F149 Q156 G157 N158 K161 L165	R129-E153 IonicContact CZ-OE1 3.99Å; R129-E153 IonicContact CZ-OE2 2.72Å; R129-E153 IonicContact NE-OE1 3.93Å; R129-E153 PolarHBondContact NE-OE1 3.38Å; R129-E153 IonicContact NE-OE2 2.65Å; R129-E153 IonicContact NH2-OE1 3.36Å; R129-E153 PolarHBondContact NH2-OE1 3.44Å; R129-E153 IonicContact NH2-OE2 2.69Å; R129-E153 PolarHBondContact NH2-OE2 2.89Å; F149-E153 HydrophobicContact CD2-CG 3.97Å; F149-E153 HydrophobicContact CE2-CG 3.7Å; F149-E153 WeakPolarHBondContact CE2-OE1 3.3Å; F149-E153 HydrophobicContact CZ-CG 4.46Å; F149-E153 PolarHBondContact O-N 2.86Å; E153-Q156 CarbonylContact O-C 3.57Å; E153-Q156 PolarHBondContact O-N 2.91Å; E153-G157 PolarHBondContact O-N 2.88Å; E153-N158 HydrophobicContact CB-CB 4.23Å; E153-N158 WeakPolarHBondContact O-CA 3.48Å; E153-N158 WeakPolarHBondContact O-CB 3.4Å; E153-N158 PolarHBondContact O-N 2.95Å; E153-N158 PolarHBondContact OE2-ND2 2.73Å; E153-K161 HydrophobicContact CG-CD 4.14Å; E153-K161 HydrophobicContact CG-CG 4.42Å; E153-K161 VanDerWaalsContact OE1-CE 3.25Å; E153-K161 WeakPolarHBondContact OE1-CE 3.36Å; E153-K161 IonicContact OE1-NZ 2.75Å; E153-K161 PolarHBondContact OE1-NZ 3.13Å; E153-K161 IonicContact OE2-NZ 3.73Å; E153-L165 HydrophobicContact CB-CD1 4.38Å; E153-L165 HydrophobicContact CG-CD1 3.89Å
154	L	91.8	Very high	93	Very high	26 Å²	26	45.2 Å²	45.2	14%	0.136	24%	0.24	C	C	.	.	H	α-helix	trans	-66.8	-41.4	172.2	179.5	61.9	0	0	0	112.4	A150 Q151 F152 Q156 G157 V159 L187 L194	A150-L154 VanDerWaalsContact O-CB 3.26Å; A150-L154 WeakPolarHBondContact O-CB 3.38Å; A150-L154 PolarHBondContact O-N 2.85Å; Q151-L154 WeakPolarHBondContact O-CB 3.13Å; Q151-L154 PolarHBondContact O-N 2.78Å; F152-L154 PolarHBondContact O-N 3.11Å; L154-Q156 VanDerWaalsContact C-N 3.27Å; L154-Q156 PolarHBondContact O-N 3.39Å; L154-G157 PolarHBondContact O-N 2.9Å; L154-G157 VanDerWaalsContact O-N 3.07Å; L154-V159 HydrophobicContact CD1-CG2 4.01Å; L154-L187 HydrophobicContact CD1-CD1 3.86Å; L154-L187 HydrophobicContact CD2-CD1 4.18Å; L154-L194 HydrophobicContact CD2-CD2 3.74Å; L154-L194 HydrophobicContact CD2-CG 3.98Å
155	S	90.2	Very high	93	Very high	84 Å²	84	44.1 Å²	44.1	59%	0.587	24%	0.236	S	C	*	.	H	α-helix	trans	-65.7	-29.3	172.8	44.2	0	0	0	0	113	Q151 F152 G157	Q151-S155 PolarHBondContact O-N 2.69Å; Q151-S155 PolarHBondContact O-OG 3.36Å; F152-S155 WeakPolarHBondContact CA-OG 3.48Å; F152-S155 PolarHBondContact O-N 2.93Å; F152-S155 PolarHBondContact O-OG 3.17Å; S155-G157 PolarHBondContact O-N 3.33Å
156	Q	88.3	Confident	93	Very high	76 Å²	76	44.1 Å²	44.1	36%	0.355	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	15.7	170.9	-57.1	-55.6	-20.9	0	0	113.4	F152 E153 L154 N158	F152-Q156 HydrophobicContact CD2-CG 4.4Å; F152-Q156 HydrophobicContact CE1-CG 4.22Å; F152-Q156 HydrophobicContact CE2-CG 3.96Å; F152-Q156 HydrophobicContact CZ-CG 3.86Å; F152-Q156 WeakPolarHBondContact O-CG 3.3Å; F152-Q156 PolarHBondContact O-N 3.42Å; E153-Q156 CarbonylContact O-C 3.57Å; E153-Q156 PolarHBondContact O-N 2.91Å; L154-Q156 VanDerWaalsContact C-N 3.27Å; L154-Q156 PolarHBondContact O-N 3.39Å; Q156-N158 PolarHBondContact O-N 3.36Å; Q156-N158 VanDerWaalsContact O-N 3.12Å; Q156-N158 PolarHBondContact O-ND2 2.79Å
157	G	87.7	Confident	92.9	Very high	55 Å²	55	48 Å²	48	57%	0.567	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.9	-1.2	178.1	0	0	0	0	0	115.8	E153 L154 S155 V159	E153-G157 PolarHBondContact O-N 2.88Å; L154-G157 PolarHBondContact O-N 2.9Å; L154-G157 VanDerWaalsContact O-N 3.07Å; S155-G157 PolarHBondContact O-N 3.33Å; G157-V159 PolarHBondContact O-N 3.2Å
158	N	90.3	Very high	92.8	Very high	63 Å²	63	52.4 Å²	52.4	34%	0.337	27%	0.273	S	S	.	.			trans	-82.3	53.5	-173	-62	-56.3	0	0	0	112.7	R129 E153 Q156 K160 K161 S162	R129-N158 PolarHBondContact NH2-ND2 3.42Å; E153-N158 HydrophobicContact CB-CB 4.23Å; E153-N158 WeakPolarHBondContact O-CA 3.48Å; E153-N158 WeakPolarHBondContact O-CB 3.4Å; E153-N158 PolarHBondContact O-N 2.95Å; E153-N158 PolarHBondContact OE2-ND2 2.73Å; Q156-N158 PolarHBondContact O-N 3.36Å; Q156-N158 VanDerWaalsContact O-N 3.12Å; Q156-N158 PolarHBondContact O-ND2 2.79Å; N158-K160 VanDerWaalsContact C-N 3.26Å; N158-K160 PolarHBondContact O-N 3.48Å; N158-K160 VanDerWaalsContact O-N 3.13Å; N158-K161 HydrophobicContact CB-CB 3.97Å; N158-K161 WeakPolarHBondContact O-CA 3.47Å; N158-K161 WeakPolarHBondContact O-CB 3.34Å; N158-K161 PolarHBondContact O-N 2.91Å; N158-S162 PolarHBondContact O-N 3.12Å
159	V	91.5	Very high	92.7	Very high	76 Å²	76	51.2 Å²	51.2	46%	0.461	27%	0.265	S	S	.	.	H	α-helix	trans	-49.3	-42.8	-176.5	-174.6	0	0	0	0	112.7	L154 G157 K161 S162 K163 L187	L154-V159 HydrophobicContact CD1-CG2 4.01Å; G157-V159 PolarHBondContact O-N 3.2Å; V159-K161 PolarHBondContact O-N 3Å; V159-S162 WeakPolarHBondContact O-CB 3.42Å; V159-S162 PolarHBondContact O-N 2.75Å; V159-K163 PolarHBondContact O-N 2.76Å; V159-L187 HydrophobicContact CG1-CD1 4.05Å
160	K	91.4	Very high	92.6	Very high	182 Å²	182	54 Å²	54	79%	0.791	28%	0.282	S	S	*	.	H	α-helix	trans	-60.7	-42.6	176.9	-67.9	-178.6	-179.8	176.2	0	112.2	N158 K163 Q164	N158-K160 VanDerWaalsContact C-N 3.26Å; N158-K160 PolarHBondContact O-N 3.48Å; N158-K160 VanDerWaalsContact O-N 3.13Å; K160-K163 PolarHBondContact O-N 3.23Å; K160-Q164 WeakPolarHBondContact O-CG 3.41Å; K160-Q164 PolarHBondContact O-N 2.72Å; K160-Q164 VanDerWaalsContact O-N 3.11Å
161	K	91.4	Very high	92.3	Very high	73 Å²	73	60.8 Å²	60.8	32%	0.317	31%	0.313	S	S	.	.	H	α-helix	trans	-72.2	-41.3	179.6	-165.9	176.8	179	-168.3	0	111.1	E153 N158 V159 K163 Q164 L165	E153-K161 HydrophobicContact CG-CD 4.14Å; E153-K161 HydrophobicContact CG-CG 4.42Å; E153-K161 VanDerWaalsContact OE1-CE 3.25Å; E153-K161 WeakPolarHBondContact OE1-CE 3.36Å; E153-K161 IonicContact OE1-NZ 2.75Å; E153-K161 PolarHBondContact OE1-NZ 3.13Å; E153-K161 IonicContact OE2-NZ 3.73Å; N158-K161 HydrophobicContact CB-CB 3.97Å; N158-K161 WeakPolarHBondContact O-CA 3.47Å; N158-K161 WeakPolarHBondContact O-CB 3.34Å; N158-K161 PolarHBondContact O-N 2.91Å; V159-K161 PolarHBondContact O-N 3Å; K161-K163 VanDerWaalsContact C-N 3.31Å; K161-K163 PolarHBondContact O-N 2.95Å; K161-Q164 PolarHBondContact O-N 3.05Å; K161-L165 VanDerWaalsContact O-CG 3.32Å; K161-L165 WeakPolarHBondContact O-CG 3.34Å; K161-L165 PolarHBondContact O-N 2.86Å
162	S	92.6	Very high	92	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-53.6	-46.8	171.2	-175.2	0	0	0	0	111.4	A150 N158 V159 L165 L166	A150-S162 WeakPolarHBondContact O-CB 3.47Å; A150-S162 PolarHBondContact O-OG 2.92Å; N158-S162 PolarHBondContact O-N 3.12Å; V159-S162 WeakPolarHBondContact O-CB 3.42Å; V159-S162 PolarHBondContact O-N 2.75Å; S162-L165 PolarHBondContact O-N 2.86Å; S162-L166 PolarHBondContact O-N 3.13Å
163	K	93.8	Very high	91.9	Very high	77 Å²	77	67.7 Å²	67.7	34%	0.335	35%	0.353	S	S	.	.	H	α-helix	trans	-64.1	-45.2	177.3	-169.7	161.3	177.9	163.2	0	112.7	V159 K160 K161 L165 L166 Q167 L187 N188	V159-K163 PolarHBondContact O-N 2.76Å; K160-K163 PolarHBondContact O-N 3.23Å; K161-K163 VanDerWaalsContact C-N 3.31Å; K161-K163 PolarHBondContact O-N 2.95Å; K163-L165 VanDerWaalsContact C-N 3.31Å; K163-L165 PolarHBondContact O-N 2.65Å; K163-L166 PolarHBondContact O-N 3.24Å; K163-Q167 WeakPolarHBondContact O-CG 3.37Å; K163-Q167 PolarHBondContact O-N 3.11Å; K163-L187 VanDerWaalsContact CA-CD2 3.48Å; K163-L187 HydrophobicContact CB-CD2 3.7Å; K163-L187 HydrophobicContact CG-CD2 4.29Å; K163-N188 PolarHBondContact NZ-OD1 2.86Å
164	Q	95.1	Very high	91.9	Very high	111 Å²	111	67.8 Å²	67.8	52%	0.519	35%	0.354	S	S	.	.	H	α-helix	trans	-61.7	-35.2	175.7	-73	174.1	-8.4	0	0	113.1	K160 K161 K168	K160-Q164 WeakPolarHBondContact O-CG 3.41Å; K160-Q164 PolarHBondContact O-N 2.72Å; K160-Q164 VanDerWaalsContact O-N 3.11Å; K161-Q164 PolarHBondContact O-N 3.05Å; Q164-K168 WeakPolarHBondContact O-CB 3.36Å; Q164-K168 WeakPolarHBondContact O-CG 3.37Å; Q164-K168 PolarHBondContact O-N 3.16Å
165	L	94.8	Very high	91.8	Very high	11 Å²	11	69.8 Å²	69.8	6%	0.058	37%	0.367	C	S	.	.	H	α-helix	trans	-64.8	-46.1	176.3	-74.8	171.8	0	0	0	111.6	F149 A150 E153 K161 S162 K163 A169	F149-L165 HydrophobicContact CB-CD1 4.42Å; F149-L165 HydrophobicContact CD1-CD1 3.75Å; F149-L165 HydrophobicContact CD1-CD2 3.71Å; F149-L165 HydrophobicContact CD1-CG 4.4Å; F149-L165 HydrophobicContact CD2-CD1 4.14Å; F149-L165 HydrophobicContact CE1-CD1 4Å; F149-L165 HydrophobicContact CE1-CD2 3.71Å; F149-L165 HydrophobicContact CE2-CD1 4.37Å; F149-L165 HydrophobicContact CG-CD1 3.82Å; F149-L165 HydrophobicContact CZ-CD1 4.3Å; A150-L165 HydrophobicContact CB-CB 4.1Å; A150-L165 HydrophobicContact CB-CD1 4.37Å; E153-L165 HydrophobicContact CB-CD1 4.38Å; E153-L165 HydrophobicContact CG-CD1 3.89Å; K161-L165 VanDerWaalsContact O-CG 3.32Å; K161-L165 WeakPolarHBondContact O-CG 3.34Å; K161-L165 PolarHBondContact O-N 2.86Å; S162-L165 PolarHBondContact O-N 2.86Å; K163-L165 VanDerWaalsContact C-N 3.31Å; K163-L165 PolarHBondContact O-N 2.65Å; L165-A169 PolarHBondContact O-N 2.72Å; L165-A169 VanDerWaalsContact O-N 3.1Å
166	L	95.1	Very high	92	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-67.8	-42.1	178.5	-64.1	177.1	0	0	0	112.4	I147 A150 S162 K163 A169 V170 L180 A183 L184 L187 L194	I147-L166 HydrophobicContact CB-CD2 4.41Å; I147-L166 HydrophobicContact CG1-CD2 3.66Å; A150-L166 HydrophobicContact CB-CD1 4.43Å; A150-L166 HydrophobicContact CB-CD2 3.75Å; A150-L166 HydrophobicContact CB-CG 3.79Å; S162-L166 PolarHBondContact O-N 3.13Å; K163-L166 PolarHBondContact O-N 3.24Å; L166-A169 WeakPolarHBondContact O-CB 3.5Å; L166-A169 PolarHBondContact O-N 3.43Å; L166-A169 VanDerWaalsContact O-N 3.13Å; L166-V170 PolarHBondContact O-N 3.08Å; L166-L180 HydrophobicContact CD2-CD2 4.28Å; L166-A183 HydrophobicContact CD1-CB 3.93Å; L166-A183 HydrophobicContact CD2-CB 3.98Å; L166-L184 HydrophobicContact CB-CD1 4.49Å; L166-L184 HydrophobicContact CB-CD2 3.54Å; L166-L184 HydrophobicContact CB-CG 3.81Å; L166-L184 HydrophobicContact CD1-CD2 4.01Å; L166-L184 HydrophobicContact CD1-CG 4.12Å; L166-L184 HydrophobicContact CG-CD2 4.45Å; L166-L187 HydrophobicContact CD1-CD2 3.92Å; L166-L194 HydrophobicContact CD1-CD1 4.3Å; L166-L194 HydrophobicContact CD1-CD2 4.5Å
167	Q	93.5	Very high	92	Very high	85 Å²	85	67 Å²	67	40%	0.397	35%	0.349	S	S	.	.	H	α-helix	trans	-60.9	-46.7	175.8	-70.5	178	-71.6	0	0	111.4	K163 A169 V170 E171 L184	K163-Q167 WeakPolarHBondContact O-CG 3.37Å; K163-Q167 PolarHBondContact O-N 3.11Å; Q167-A169 PolarHBondContact O-N 2.96Å; Q167-V170 PolarHBondContact O-N 3.26Å; Q167-V170 VanDerWaalsContact O-N 3.12Å; Q167-E171 WeakPolarHBondContact O-CG 3.49Å; Q167-E171 PolarHBondContact O-N 3.44Å; Q167-L184 HydrophobicContact CG-CD2 4.2Å
168	K	92.7	Very high	92.2	Very high	99 Å²	99	69.7 Å²	69.7	43%	0.43	35%	0.347	S	S	.	.	H	α-helix	trans	-65.7	-18	175.5	-73.9	179.9	174.7	-175.7	0	114	Q164 E171 R172	Q164-K168 WeakPolarHBondContact O-CB 3.36Å; Q164-K168 WeakPolarHBondContact O-CG 3.37Å; Q164-K168 PolarHBondContact O-N 3.16Å; K168-E171 WeakPolarHBondContact CG-OE2 3.39Å; K168-R172 WeakPolarHBondContact O-CB 3.45Å; K168-R172 WeakPolarHBondContact O-CD 3.38Å; K168-R172 WeakPolarHBondContact O-CG 3.39Å; K168-R172 PolarHBondContact O-N 3.31Å
169	A	93.5	Very high	92.3	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-78.1	-39.8	172.2	0	0	0	0	0	111.7	H146 L165 L166 Q167 R172 G173 A174 L180	H146-A169 HydrophobicContact CB-CB 3.6Å; H146-A169 VanDerWaalsContact CG-CB 3.45Å; L165-A169 PolarHBondContact O-N 2.72Å; L165-A169 VanDerWaalsContact O-N 3.1Å; L166-A169 WeakPolarHBondContact O-CB 3.5Å; L166-A169 PolarHBondContact O-N 3.43Å; L166-A169 VanDerWaalsContact O-N 3.13Å; Q167-A169 PolarHBondContact O-N 2.96Å; A169-R172 PolarHBondContact O-N 3.47Å; A169-G173 PolarHBondContact O-N 2.79Å; A169-A174 HydrophobicContact CB-CB 4.36Å; A169-A174 WeakPolarHBondContact O-CB 2.86Å; A169-A174 PolarHBondContact O-N 3.08Å; A169-A174 VanDerWaalsContact O-N 3.08Å; A169-L180 HydrophobicContact CB-CD1 3.91Å; A169-L180 HydrophobicContact CB-CD2 3.64Å; A169-L180 HydrophobicContact CB-CG 4.46Å
170	V	92.8	Very high	92.3	Very high	60 Å²	60	64.1 Å²	64.1	36%	0.364	31%	0.314	S	S	.	.	H	α-helix	trans	-65.4	-47.7	173.7	176.2	0	0	0	0	110.7	L166 Q167 R172 G173 L177 L180 L184	L166-V170 PolarHBondContact O-N 3.08Å; Q167-V170 PolarHBondContact O-N 3.26Å; Q167-V170 VanDerWaalsContact O-N 3.12Å; V170-R172 PolarHBondContact O-N 3.07Å; V170-G173 PolarHBondContact O-N 3.33Å; V170-L177 HydrophobicContact CG1-CD1 4.07Å; V170-L177 HydrophobicContact CG2-CD1 4.12Å; V170-L180 HydrophobicContact CG2-CB 3.85Å; V170-L180 HydrophobicContact CG2-CD1 3.82Å; V170-L180 HydrophobicContact CG2-CG 4.42Å; V170-L184 HydrophobicContact CG2-CD1 4.02Å
171	E	90.9	Very high	92.2	Very high	142 Å²	142	60.1 Å²	60.1	66%	0.664	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-26.5	174.9	-70.2	163.2	-163.3	0	0	113.4	Q167 K168	Q167-E171 WeakPolarHBondContact O-CG 3.49Å; Q167-E171 PolarHBondContact O-N 3.44Å; K168-E171 WeakPolarHBondContact CG-OE2 3.39Å
172	R	88.1	Confident	92.3	Very high	150 Å²	150	58 Å²	58	57%	0.566	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	3.9	-179.1	-70.3	173.7	179.9	178.4	-8.2	113.8	K168 A169 V170 A174	K168-R172 WeakPolarHBondContact O-CB 3.45Å; K168-R172 WeakPolarHBondContact O-CD 3.38Å; K168-R172 WeakPolarHBondContact O-CG 3.39Å; K168-R172 PolarHBondContact O-N 3.31Å; A169-R172 PolarHBondContact O-N 3.47Å; V170-R172 PolarHBondContact O-N 3.07Å; R172-A174 VanDerWaalsContact C-N 3.34Å; R172-A174 PolarHBondContact O-N 3.08Å
173	G	90.3	Very high	92.3	Very high	52 Å²	52	58 Å²	58	54%	0.536	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.2	35.2	179.6	0	0	0	0	0	113.9	A169 V170	A169-G173 PolarHBondContact O-N 2.79Å; V170-G173 PolarHBondContact O-N 3.33Å
174	A	93.2	Very high	92.2	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.008	28%	0.281	C	S	.	.			trans	-71.8	139.4	176	0	0	0	0	0	111.3	K141 A169 R172 L180	K141-A174 CarbonylContact O-C 3.58Å; K141-A174 VanDerWaalsContact O-CA 3.22Å; K141-A174 WeakPolarHBondContact O-CA 3.49Å; A169-A174 HydrophobicContact CB-CB 4.36Å; A169-A174 WeakPolarHBondContact O-CB 2.86Å; A169-A174 PolarHBondContact O-N 3.08Å; A169-A174 VanDerWaalsContact O-N 3.08Å; R172-A174 VanDerWaalsContact C-N 3.34Å; R172-A174 PolarHBondContact O-N 3.08Å; A174-L180 HydrophobicContact CB-CD1 4.2Å; A174-L180 WeakPolarHBondContact O-CD1 3.31Å
175	V	91	Very high	92.1	Very high	68 Å²	68	57 Å²	57	41%	0.412	28%	0.281	S	S	.	.	B	Isolated β-bridge	trans	-118.3	148.8	-168.7	-70.7	0	0	0	0	113.1	K141 A143	K141-V175 HydrophobicContact CG-CG2 4.14Å; K141-V175 PolarHBondContact O-N 2.99Å; A143-V175 WeakPolarHBondContact CB-O 3.48Å; A143-V175 PolarHBondContact N-O 3.06Å
176	P	93.4	Very high	92	Very high	24 Å²	24	56.6 Å²	56.6	16%	0.156	28%	0.279	C	S	.	.			cis	-70.7	148.8	-5.1	-15.9	31.5	0	0	0	113.2	A143 E178 M179 M207	A143-P176 VanDerWaalsContact CB-O 3.28Å; A143-P176 WeakPolarHBondContact CB-O 3.44Å; P176-E178 WeakPolarHBondContact CB-OE2 3.38Å; P176-M179 HydrophobicContact CB-CB 4.42Å; P176-M179 HydrophobicContact CG-CE 4.16Å; P176-M179 WeakPolarHBondContact O-CB 3.46Å; P176-M207 HydrophobicContact CG-CE 4.03Å; P176-M207 HydrophobicContact CG-CG 4.36Å; P176-M207 HydrophobicContact CG-SD 3.62Å
177	L	89.9	Confident	91.8	Very high	78 Å²	78	57 Å²	57	41%	0.408	28%	0.281	S	S	.	.	H	α-helix	trans	-74.3	-37.7	-176.1	178.9	60.2	0	0	0	111.6	V170 M179 L180 E181	V170-L177 HydrophobicContact CG1-CD1 4.07Å; V170-L177 HydrophobicContact CG2-CD1 4.12Å; L177-M179 PolarHBondContact O-N 2.69Å; L177-L180 HydrophobicContact CD1-CD1 4.44Å; L177-L180 WeakPolarHBondContact O-CA 3.35Å; L177-L180 WeakPolarHBondContact O-CB 3.45Å; L177-L180 PolarHBondContact O-N 3.25Å; L177-E181 PolarHBondContact O-N 3.4Å
178	E	90.7	Very high	91.7	Very high	111 Å²	111	57.5 Å²	57.5	52%	0.519	29%	0.287	S	S	.	.	H	α-helix	trans	-55.4	-36.1	177.1	-51.2	80.8	177.6	0	0	111	P176 E181 I182 L203	P176-E178 WeakPolarHBondContact CB-OE2 3.38Å; E178-E181 PolarHBondContact O-N 2.9Å; E178-I182 WeakPolarHBondContact O-CD1 3.39Å; E178-I182 VanDerWaalsContact O-CG1 3.25Å; E178-I182 WeakPolarHBondContact O-CG1 3.39Å; E178-I182 PolarHBondContact O-N 3.04Å; E178-L203 HydrophobicContact CB-CD2 4.06Å
179	M	91.6	Very high	91.5	Very high	23 Å²	23	58.1 Å²	58.1	11%	0.113	29%	0.294	C	S	.	.	H	α-helix	trans	-66.6	-37	177.4	-166.4	-176.8	-69.3	0	0	111.9	A143 F144 I147 P176 L177 A183 L195 L203	A143-M179 HydrophobicContact CB-CB 4.24Å; A143-M179 HydrophobicContact CB-SD 4.15Å; F144-M179 HydrophobicContact CB-SD 4Å; I147-M179 HydrophobicContact CD1-CB 4.25Å; I147-M179 HydrophobicContact CD1-CG 3.53Å; I147-M179 WeakPolarHBondContact CD1-O 3.47Å; I147-M179 HydrophobicContact CD1-SD 4.09Å; P176-M179 HydrophobicContact CB-CB 4.42Å; P176-M179 HydrophobicContact CG-CE 4.16Å; P176-M179 WeakPolarHBondContact O-CB 3.46Å; L177-M179 PolarHBondContact O-N 2.69Å; M179-A183 WeakPolarHBondContact O-CB 3.38Å; M179-A183 PolarHBondContact O-N 2.98Å; M179-L195 HydrophobicContact CG-CD1 3.71Å; M179-L195 HydrophobicContact CG-CD2 4.37Å; M179-L195 HydrophobicContact SD-CD1 4.21Å; M179-L203 HydrophobicContact CB-CD1 3.97Å; M179-L203 HydrophobicContact CE-CB 4.41Å; M179-L203 HydrophobicContact CE-CD1 4.18Å; M179-L203 HydrophobicContact CG-CD1 3.79Å
180	L	91.9	Very high	91.3	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-72.6	-38.9	173.6	-65.2	171.1	0	0	0	111.7	A143 I147 L166 A169 V170 A174 L177 A183 L184	A143-L180 HydrophobicContact CB-CD1 4.31Å; A143-L180 HydrophobicContact CB-CD2 4.01Å; A143-L180 HydrophobicContact CB-CG 3.8Å; I147-L180 HydrophobicContact CD1-CD2 3.96Å; I147-L180 HydrophobicContact CG1-CD2 3.86Å; L166-L180 HydrophobicContact CD2-CD2 4.28Å; A169-L180 HydrophobicContact CB-CD1 3.91Å; A169-L180 HydrophobicContact CB-CD2 3.64Å; A169-L180 HydrophobicContact CB-CG 4.46Å; V170-L180 HydrophobicContact CG2-CB 3.85Å; V170-L180 HydrophobicContact CG2-CD1 3.82Å; V170-L180 HydrophobicContact CG2-CG 4.42Å; A174-L180 HydrophobicContact CB-CD1 4.2Å; A174-L180 WeakPolarHBondContact O-CD1 3.31Å; L177-L180 HydrophobicContact CD1-CD1 4.44Å; L177-L180 WeakPolarHBondContact O-CA 3.35Å; L177-L180 WeakPolarHBondContact O-CB 3.45Å; L177-L180 PolarHBondContact O-N 3.25Å; L180-A183 PolarHBondContact O-N 3.32Å; L180-L184 WeakPolarHBondContact O-CB 3.46Å; L180-L184 WeakPolarHBondContact O-CG 3.35Å; L180-L184 PolarHBondContact O-N 3.19Å
181	E	90.9	Very high	91.1	Very high	97 Å²	97	67.9 Å²	67.9	45%	0.453	33%	0.334	S	S	.	.	H	α-helix	trans	-64	-43.4	176.8	-69.4	-171.2	177.9	0	0	112.4	L177 E178 L184 R185	L177-E181 PolarHBondContact O-N 3.4Å; E178-E181 PolarHBondContact O-N 2.9Å; E181-L184 PolarHBondContact O-N 3.1Å; E181-R185 VanDerWaalsContact O-CB 3.25Å; E181-R185 WeakPolarHBondContact O-CB 3.39Å; E181-R185 PolarHBondContact O-N 3.18Å
182	I	92.1	Very high	90.7	Very high	28 Å²	28	69.8 Å²	69.8	14%	0.144	34%	0.34	C	S	.	.	H	α-helix	trans	-63.3	-44.4	175.2	-67.3	162.6	0	0	0	109.9	E178 L184 R185 N186 L195 E199 L203	E178-I182 WeakPolarHBondContact O-CD1 3.39Å; E178-I182 VanDerWaalsContact O-CG1 3.25Å; E178-I182 WeakPolarHBondContact O-CG1 3.39Å; E178-I182 PolarHBondContact O-N 3.04Å; I182-L184 PolarHBondContact O-N 3.4Å; I182-R185 PolarHBondContact O-N 3.13Å; I182-N186 VanDerWaalsContact O-CB 3.27Å; I182-N186 WeakPolarHBondContact O-CB 3.48Å; I182-N186 VanDerWaalsContact O-CG 3.23Å; I182-N186 PolarHBondContact O-N 3.13Å; I182-L195 HydrophobicContact CB-CD2 4.14Å; I182-L195 HydrophobicContact CG2-CD2 3.74Å; I182-E199 HydrophobicContact CG2-CG 4.31Å; I182-L203 HydrophobicContact CD1-CD1 4.06Å; I182-L203 HydrophobicContact CD1-CD2 4.05Å; I182-L203 HydrophobicContact CD1-CG 4.26Å
183	A	92.4	Very high	90.7	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-60.7	-43.8	175.6	0	0	0	0	0	112.6	I147 L166 M179 L180 N186 L187 L194	I147-A183 HydrophobicContact CD1-CB 4.03Å; I147-A183 HydrophobicContact CG1-CB 3.98Å; I147-A183 HydrophobicContact CG2-CB 4.19Å; L166-A183 HydrophobicContact CD1-CB 3.93Å; L166-A183 HydrophobicContact CD2-CB 3.98Å; M179-A183 WeakPolarHBondContact O-CB 3.38Å; M179-A183 PolarHBondContact O-N 2.98Å; L180-A183 PolarHBondContact O-N 3.32Å; A183-N186 PolarHBondContact O-N 2.91Å; A183-L187 WeakPolarHBondContact O-CB 3.48Å; A183-L187 PolarHBondContact O-N 2.89Å; A183-L194 HydrophobicContact CB-CB 4.2Å
184	L	92.6	Very high	90.5	Very high	31 Å²	31	64 Å²	64	16%	0.162	31%	0.306	C	S	.	.	H	α-helix	trans	-64.5	-41.9	175.7	-79.7	166.7	0	0	0	112.1	L166 Q167 V170 L180 E181 I182 L187 N188	L166-L184 HydrophobicContact CB-CD1 4.49Å; L166-L184 HydrophobicContact CB-CD2 3.54Å; L166-L184 HydrophobicContact CB-CG 3.81Å; L166-L184 HydrophobicContact CD1-CD2 4.01Å; L166-L184 HydrophobicContact CD1-CG 4.12Å; L166-L184 HydrophobicContact CG-CD2 4.45Å; Q167-L184 HydrophobicContact CG-CD2 4.2Å; V170-L184 HydrophobicContact CG2-CD1 4.02Å; L180-L184 WeakPolarHBondContact O-CB 3.46Å; L180-L184 WeakPolarHBondContact O-CG 3.35Å; L180-L184 PolarHBondContact O-N 3.19Å; E181-L184 PolarHBondContact O-N 3.1Å; I182-L184 PolarHBondContact O-N 3.4Å; L184-L187 PolarHBondContact O-N 3.29Å; L184-N188 WeakPolarHBondContact O-CB 3.38Å; L184-N188 VanDerWaalsContact O-CG 3.23Å; L184-N188 PolarHBondContact O-N 3Å; L184-N188 PolarHBondContact O-ND2 2.88Å
185	R	93.3	Very high	90.2	Very high	136 Å²	136	64.6 Å²	64.6	51%	0.513	31%	0.309	S	S	.	.	H	α-helix	trans	-61.1	-48.1	175.6	-170.6	-174.5	-56.9	149.8	6	110.6	E181 I182 L187 N188 L189	E181-R185 VanDerWaalsContact O-CB 3.25Å; E181-R185 WeakPolarHBondContact O-CB 3.39Å; E181-R185 PolarHBondContact O-N 3.18Å; I182-R185 PolarHBondContact O-N 3.13Å; R185-L187 PolarHBondContact O-N 3.11Å; R185-N188 PolarHBondContact O-N 3.42Å; R185-L189 HydrophobicContact CG-CD1 4.24Å; R185-L189 WeakPolarHBondContact O-CB 3.49Å; R185-L189 VanDerWaalsContact O-CG 3.29Å; R185-L189 WeakPolarHBondContact O-CG 3.3Å; R185-L189 PolarHBondContact O-N 3.3Å
186	N	92.5	Very high	89.7	Confident	3 Å²	3	62.7 Å²	62.7	2%	0.016	30%	0.299	C	S	.	.	H	α-helix	trans	-65.3	-37.8	179.6	-74.7	-13.8	0	0	0	112.7	I182 A183 L189 Q190 K191 L194 E199	I182-N186 VanDerWaalsContact O-CB 3.27Å; I182-N186 WeakPolarHBondContact O-CB 3.48Å; I182-N186 VanDerWaalsContact O-CG 3.23Å; I182-N186 PolarHBondContact O-N 3.13Å; A183-N186 PolarHBondContact O-N 2.91Å; N186-L189 CarbonylContact O-C 3.57Å; N186-L189 PolarHBondContact O-N 2.96Å; N186-Q190 PolarHBondContact O-N 3.47Å; N186-K191 HydrophobicContact CB-CB 4.37Å; N186-K191 HydrophobicContact CB-CD 3.89Å; N186-K191 HydrophobicContact CB-CG 4.4Å; N186-K191 WeakPolarHBondContact O-CB 3.25Å; N186-K191 PolarHBondContact O-N 3.38Å; N186-K191 WeakPolarHBondContact OD1-CD 3.26Å; N186-K191 WeakPolarHBondContact OD1-CE 3.26Å; N186-K191 PolarHBondContact OD1-NZ 3.36Å; N186-L194 WeakPolarHBondContact CB-O 3.4Å; N186-L194 PolarHBondContact ND2-O 2.82Å; N186-E199 VanDerWaalsContact ND2-CD 3.3Å; N186-E199 PolarHBondContact ND2-OE1 3.47Å; N186-E199 PolarHBondContact ND2-OE2 2.86Å
187	L	91	Very high	88.6	Confident	9 Å²	9	65.8 Å²	65.8	5%	0.047	31%	0.311	C	S	.	.	H	α-helix	trans	-66.6	-42.6	173.1	-175.5	59.6	0	0	0	112.6	L154 V159 K163 L166 A183 L184 R185 L189 Q190 L194	L154-L187 HydrophobicContact CD1-CD1 3.86Å; L154-L187 HydrophobicContact CD2-CD1 4.18Å; V159-L187 HydrophobicContact CG1-CD1 4.05Å; K163-L187 VanDerWaalsContact CA-CD2 3.48Å; K163-L187 HydrophobicContact CB-CD2 3.7Å; K163-L187 HydrophobicContact CG-CD2 4.29Å; L166-L187 HydrophobicContact CD1-CD2 3.92Å; A183-L187 WeakPolarHBondContact O-CB 3.48Å; A183-L187 PolarHBondContact O-N 2.89Å; L184-L187 PolarHBondContact O-N 3.29Å; R185-L187 PolarHBondContact O-N 3.11Å; L187-L189 VanDerWaalsContact C-N 3.27Å; L187-L189 PolarHBondContact O-N 3.06Å; L187-Q190 PolarHBondContact O-N 3.47Å; L187-L194 HydrophobicContact CB-CD2 3.73Å; L187-L194 HydrophobicContact CD1-CD2 4.13Å; L187-L194 HydrophobicContact CG-CD2 4.38Å
188	N	90.3	Very high	87.8	Confident	95 Å²	95	68 Å²	68	51%	0.508	32%	0.32	S	S	.	.	H	α-helix	trans	-65.8	-31.4	175.4	-70.6	-37	0	0	0	112	K163 L184 R185 Q190	K163-N188 PolarHBondContact NZ-OD1 2.86Å; L184-N188 WeakPolarHBondContact O-CB 3.38Å; L184-N188 VanDerWaalsContact O-CG 3.23Å; L184-N188 PolarHBondContact O-N 3Å; L184-N188 PolarHBondContact O-ND2 2.88Å; R185-N188 PolarHBondContact O-N 3.42Å; N188-Q190 PolarHBondContact O-N 3.46Å
189	L	90.2	Very high	87.3	Confident	113 Å²	113	64.7 Å²	64.7	59%	0.592	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	8.7	171.2	-68.1	171.5	0	0	0	113.7	R185 N186 L187 K191	R185-L189 HydrophobicContact CG-CD1 4.24Å; R185-L189 WeakPolarHBondContact O-CB 3.49Å; R185-L189 VanDerWaalsContact O-CG 3.29Å; R185-L189 WeakPolarHBondContact O-CG 3.3Å; R185-L189 PolarHBondContact O-N 3.3Å; N186-L189 CarbonylContact O-C 3.57Å; N186-L189 PolarHBondContact O-N 2.96Å; L187-L189 VanDerWaalsContact C-N 3.27Å; L187-L189 PolarHBondContact O-N 3.06Å; L189-K191 HydrophobicContact CB-CG 4.44Å; L189-K191 PolarHBondContact O-N 2.95Å; L189-K191 VanDerWaalsContact O-N 3.07Å
190	Q	88.1	Confident	86.5	Confident	175 Å²	175	67.4 Å²	67.4	82%	0.818	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	23.8	179.7	-56.6	-175.4	-9.2	0	0	114.7	N186 L187 N188 K192	N186-Q190 PolarHBondContact O-N 3.47Å; L187-Q190 PolarHBondContact O-N 3.47Å; N188-Q190 PolarHBondContact O-N 3.46Å; Q190-K192 PolarHBondContact O-N 3.45Å
191	K	88	Confident	85.5	Confident	89 Å²	89	74 Å²	74	39%	0.387	34%	0.344	S	S	.	.			trans	-62.8	135	173.4	-66.2	-169.9	-173.8	169.1	0	109.2	N186 L189 Q193 E199	N186-K191 HydrophobicContact CB-CB 4.37Å; N186-K191 HydrophobicContact CB-CD 3.89Å; N186-K191 HydrophobicContact CB-CG 4.4Å; N186-K191 WeakPolarHBondContact O-CB 3.25Å; N186-K191 PolarHBondContact O-N 3.38Å; N186-K191 WeakPolarHBondContact OD1-CD 3.26Å; N186-K191 WeakPolarHBondContact OD1-CE 3.26Å; N186-K191 PolarHBondContact OD1-NZ 3.36Å; L189-K191 HydrophobicContact CB-CG 4.44Å; L189-K191 PolarHBondContact O-N 2.95Å; L189-K191 VanDerWaalsContact O-N 3.07Å; K191-Q193 WeakPolarHBondContact CB-O 3.46Å; K191-Q193 PolarHBondContact O-N 3.36Å; K191-Q193 VanDerWaalsContact O-N 3.16Å; K191-E199 IonicContact NZ-OE1 2.68Å; K191-E199 PolarHBondContact NZ-OE1 3.16Å; K191-E199 VanDerWaalsContact NZ-OE1 3.13Å
192	K	83.6	Confident	84.7	Confident	182 Å²	182	74.2 Å²	74.2	79%	0.791	35%	0.352	S	S	*	.	S	Bend	trans	-63.9	-16.5	173.7	-63.3	-170.2	178.1	-171.5	0	113.6	Q151 Q190	Q151-K192 PolarHBondContact NE2-O 3.04Å; Q151-K192 VanDerWaalsContact NE2-O 3.1Å; Q190-K192 PolarHBondContact O-N 3.45Å
193	Q	87.3	Confident	83.8	Confident	82 Å²	82	73.8 Å²	73.8	38%	0.383	35%	0.35	S	S	.	.			trans	-125.1	128.9	-179.8	-177.5	168.1	-8	0	0	109.9	Q151 K191 L195 E197	Q151-Q193 VanDerWaalsContact OE1-CA 3.27Å; K191-Q193 WeakPolarHBondContact CB-O 3.46Å; K191-Q193 PolarHBondContact O-N 3.36Å; K191-Q193 VanDerWaalsContact O-N 3.16Å; Q193-L195 WeakPolarHBondContact CG-O 3.43Å; Q193-L195 PolarHBondContact NE2-O 2.65Å; Q193-E197 PolarHBondContact NE2-OE1 3.43Å
194	L	87.3	Confident	82.4	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	37%	0.373	C	S	.	.	S	Bend	trans	-77.4	-34.2	-176.2	-65.7	-176.3	0	0	0	113.3	I147 A150 Q151 L154 L166 A183 N186 L187	I147-L194 HydrophobicContact CG2-CB 4.11Å; I147-L194 HydrophobicContact CG2-CD1 4.19Å; A150-L194 HydrophobicContact CB-CD1 3.7Å; Q151-L194 HydrophobicContact CB-CD1 4.04Å; Q151-L194 HydrophobicContact CB-CG 4.43Å; L154-L194 HydrophobicContact CD2-CD2 3.74Å; L154-L194 HydrophobicContact CD2-CG 3.98Å; L166-L194 HydrophobicContact CD1-CD1 4.3Å; L166-L194 HydrophobicContact CD1-CD2 4.5Å; A183-L194 HydrophobicContact CB-CB 4.2Å; N186-L194 WeakPolarHBondContact CB-O 3.4Å; N186-L194 PolarHBondContact ND2-O 2.82Å; L187-L194 HydrophobicContact CB-CD2 3.73Å; L187-L194 HydrophobicContact CD1-CD2 4.13Å; L187-L194 HydrophobicContact CG-CD2 4.38Å
195	L	86.8	Confident	80.4	Confident	12 Å²	12	78.5 Å²	78.5	6%	0.063	39%	0.389	C	S	.	.	S	Bend	trans	-136.4	118.9	174.7	-65.2	176.5	0	0	0	109.4	I147 M179 I182 Q193 E199 K200 L203	I147-L195 HydrophobicContact CD1-CD1 4.05Å; I147-L195 HydrophobicContact CG2-CD1 3.87Å; I147-L195 HydrophobicContact CG2-CG 4.07Å; M179-L195 HydrophobicContact CG-CD1 3.71Å; M179-L195 HydrophobicContact CG-CD2 4.37Å; M179-L195 HydrophobicContact SD-CD1 4.21Å; I182-L195 HydrophobicContact CB-CD2 4.14Å; I182-L195 HydrophobicContact CG2-CD2 3.74Å; Q193-L195 WeakPolarHBondContact CG-O 3.43Å; Q193-L195 PolarHBondContact NE2-O 2.65Å; L195-E199 WeakPolarHBondContact CA-OE2 3.15Å; L195-K200 HydrophobicContact CB-CG 4.06Å; L195-K200 HydrophobicContact CD1-CG 4.5Å; L195-L203 HydrophobicContact CD2-CD1 4.42Å
196	S	79.6	Confident	78.1	Confident	28 Å²	28	75.4 Å²	75.4	20%	0.196	39%	0.388	C	S	.	.			trans	-71.6	165.2	172.3	94.8	0	0	0	0	111.7	E198 E199 K200	S196-E198 WeakPolarHBondContact CB-OE2 3.33Å; S196-E198 PolarHBondContact O-N 3.46Å; S196-E198 PolarHBondContact OG-N 3.38Å; S196-E198 PolarHBondContact OG-OE2 3.4Å; S196-E199 PolarHBondContact N-OE2 3Å; S196-E199 PolarHBondContact O-N 3.34Å; S196-E199 PolarHBondContact OG-N 3.3Å; S196-E199 VanDerWaalsContact OG-N 3.13Å; S196-K200 VanDerWaalsContact O-CG 3.27Å; S196-K200 WeakPolarHBondContact O-CG 3.41Å; S196-K200 PolarHBondContact O-N 3.21Å
197	E	71	Confident	76.1	Confident	89 Å²	89	79.2 Å²	79.2	42%	0.416	41%	0.407	S	S	.	.	H	α-helix	trans	-69.6	-24.7	178.1	-59	-48.7	126.5	0	0	112.4	Q193 K200 K201	Q193-E197 PolarHBondContact NE2-OE1 3.43Å; E197-K200 IonicContact OE1-NZ 3.37Å; E197-K200 PolarHBondContact OE1-NZ 2.89Å; E197-K200 WeakPolarHBondContact OE2-CD 3.36Å; E197-K200 IonicContact OE2-NZ 3.74Å; E197-K201 WeakPolarHBondContact O-CB 3.46Å; E197-K201 WeakPolarHBondContact O-CD 3.2Å; E197-K201 WeakPolarHBondContact O-CG 3.32Å; E197-K201 PolarHBondContact O-N 2.9Å; E197-K201 VanDerWaalsContact O-N 3.17Å
198	E	73.6	Confident	73.7	Confident	126 Å²	126	83.6 Å²	83.6	59%	0.589	43%	0.434	S	S	*	.	H	α-helix	trans	-71.3	-49.8	171.1	-54.5	69.5	-149.4	0	0	110.3	S196 K200 K201 T202	S196-E198 WeakPolarHBondContact CB-OE2 3.33Å; S196-E198 PolarHBondContact O-N 3.46Å; S196-E198 PolarHBondContact OG-N 3.38Å; S196-E198 PolarHBondContact OG-OE2 3.4Å; E198-K200 VanDerWaalsContact C-N 3.32Å; E198-K200 PolarHBondContact O-N 2.99Å; E198-K201 PolarHBondContact O-N 3.07Å; E198-K201 VanDerWaalsContact O-N 3.13Å; E198-T202 PolarHBondContact O-N 2.96Å; E198-T202 PolarHBondContact O-OG1 2.87Å
199	E	79.1	Confident	71.1	Confident	41 Å²	41	84.8 Å²	84.8	19%	0.192	44%	0.439	C	S	.	.	H	α-helix	trans	-58.2	-42.7	176.7	-68.9	167.6	162.7	0	0	111.2	I182 N186 K191 L195 S196 L203	I182-E199 HydrophobicContact CG2-CG 4.31Å; N186-E199 VanDerWaalsContact ND2-CD 3.3Å; N186-E199 PolarHBondContact ND2-OE1 3.47Å; N186-E199 PolarHBondContact ND2-OE2 2.86Å; K191-E199 IonicContact NZ-OE1 2.68Å; K191-E199 PolarHBondContact NZ-OE1 3.16Å; K191-E199 VanDerWaalsContact NZ-OE1 3.13Å; L195-E199 WeakPolarHBondContact CA-OE2 3.15Å; S196-E199 PolarHBondContact N-OE2 3Å; S196-E199 PolarHBondContact O-N 3.34Å; S196-E199 PolarHBondContact OG-N 3.3Å; S196-E199 VanDerWaalsContact OG-N 3.13Å; E199-L203 WeakPolarHBondContact O-CG 3.48Å; E199-L203 PolarHBondContact O-N 3.18Å; E199-L203 VanDerWaalsContact O-N 3.08Å
200	K	75.3	Confident	68.4	Low	79 Å²	79	83.7 Å²	83.7	34%	0.343	44%	0.437	S	S	.	.	H	α-helix	trans	-60.7	-42.7	173.8	-72	170.2	-174.7	176.3	0	112.9	L195 S196 E197 E198 S204	L195-K200 HydrophobicContact CB-CG 4.06Å; L195-K200 HydrophobicContact CD1-CG 4.5Å; S196-K200 VanDerWaalsContact O-CG 3.27Å; S196-K200 WeakPolarHBondContact O-CG 3.41Å; S196-K200 PolarHBondContact O-N 3.21Å; E197-K200 IonicContact OE1-NZ 3.37Å; E197-K200 PolarHBondContact OE1-NZ 2.89Å; E197-K200 WeakPolarHBondContact OE2-CD 3.36Å; E197-K200 IonicContact OE2-NZ 3.74Å; E198-K200 VanDerWaalsContact C-N 3.32Å; E198-K200 PolarHBondContact O-N 2.99Å; K200-S204 WeakPolarHBondContact O-CB 3.16Å; K200-S204 PolarHBondContact O-N 3.18Å; K200-S204 PolarHBondContact O-OG 2.96Å
201	K	71.5	Confident	65.8	Low	139 Å²	139	78.3 Å²	78.3	60%	0.604	42%	0.423	S	S	*	.	H	α-helix	trans	-67	-44.8	179.2	-77.9	171.4	-178.7	-175	0	111.8	E197 E198 L203 S204 A205	E197-K201 WeakPolarHBondContact O-CB 3.46Å; E197-K201 WeakPolarHBondContact O-CD 3.2Å; E197-K201 WeakPolarHBondContact O-CG 3.32Å; E197-K201 PolarHBondContact O-N 2.9Å; E197-K201 VanDerWaalsContact O-N 3.17Å; E198-K201 PolarHBondContact O-N 3.07Å; E198-K201 VanDerWaalsContact O-N 3.13Å; K201-L203 PolarHBondContact O-N 3.04Å; K201-S204 PolarHBondContact O-N 3.01Å; K201-A205 PolarHBondContact O-N 3.43Å
202	T	73.3	Confident	63.1	Low	102 Å²	102	81.6 Å²	81.6	63%	0.626	44%	0.44	S	S	*	.	H	α-helix	trans	-60.8	-44.8	177.4	-57	0	0	0	0	111.6	E198 S204 A205 S206	E198-T202 PolarHBondContact O-N 2.96Å; E198-T202 PolarHBondContact O-OG1 2.87Å; T202-S204 PolarHBondContact O-N 3.46Å; T202-A205 PolarHBondContact O-N 2.89Å; T202-S206 PolarHBondContact O-N 3.22Å; T202-S206 VanDerWaalsContact O-N 3.12Å
203	L	73.6	Confident	60.6	Low	19 Å²	19	80.9 Å²	80.9	10%	0.099	44%	0.439	C	S	.	.	H	α-helix	trans	-63.2	-41.2	175.3	-72.3	167.6	0	0	0	112.4	E178 M179 I182 L195 E199 K201 A205 S206 M207	E178-L203 HydrophobicContact CB-CD2 4.06Å; M179-L203 HydrophobicContact CB-CD1 3.97Å; M179-L203 HydrophobicContact CE-CB 4.41Å; M179-L203 HydrophobicContact CE-CD1 4.18Å; M179-L203 HydrophobicContact CG-CD1 3.79Å; I182-L203 HydrophobicContact CD1-CD1 4.06Å; I182-L203 HydrophobicContact CD1-CD2 4.05Å; I182-L203 HydrophobicContact CD1-CG 4.26Å; L195-L203 HydrophobicContact CD2-CD1 4.42Å; E199-L203 WeakPolarHBondContact O-CG 3.48Å; E199-L203 PolarHBondContact O-N 3.18Å; E199-L203 VanDerWaalsContact O-N 3.08Å; K201-L203 PolarHBondContact O-N 3.04Å; L203-A205 VanDerWaalsContact C-N 3.34Å; L203-A205 PolarHBondContact O-N 3.16Å; L203-S206 PolarHBondContact O-N 3.34Å; L203-M207 PolarHBondContact O-N 3.37Å
204	S	61.8	Low	57.9	Low	70 Å²	70	80.8 Å²	80.8	49%	0.49	45%	0.447	S	S	.	.	H	α-helix	trans	-63.1	-38.8	177.8	-57.1	0	0	0	0	112.2	K200 K201 T202	K200-S204 WeakPolarHBondContact O-CB 3.16Å; K200-S204 PolarHBondContact O-N 3.18Å; K200-S204 PolarHBondContact O-OG 2.96Å; K201-S204 PolarHBondContact O-N 3.01Å; T202-S204 PolarHBondContact O-N 3.46Å
205	A	51	Low	55.2	Low	60 Å²	60	90 Å²	90	50%	0.496	49%	0.488	S	S	.	.	H	α-helix	trans	-66.2	-38.7	174.9	0	0	0	0	0	112.5	K201 T202 L203 M207 V208	K201-A205 PolarHBondContact O-N 3.43Å; T202-A205 PolarHBondContact O-N 2.89Å; L203-A205 VanDerWaalsContact C-N 3.34Å; L203-A205 PolarHBondContact O-N 3.16Å; A205-M207 VanDerWaalsContact C-N 3.31Å; A205-M207 PolarHBondContact O-N 2.85Å; A205-V208 PolarHBondContact O-N 3.26Å
206	S	45.3	Very low	52.4	Low	71 Å²	71	94.4 Å²	94.4	50%	0.497	52%	0.52	S	S	.	.	H	α-helix	trans	-63.5	-34.3	179.4	-161.9	0	0	0	0	113.1	T202 L203 T210	T202-S206 PolarHBondContact O-N 3.22Å; T202-S206 VanDerWaalsContact O-N 3.12Å; L203-S206 PolarHBondContact O-N 3.34Å; S206-T210 PolarHBondContact O-OG1 2.89Å
207	M	49.7	Very low	49.8	Very low	83 Å²	83	98.2 Å²	98.2	41%	0.409	55%	0.547	S	S	.	.	H	α-helix	trans	-70.7	-28.6	-179.4	-68.4	179.8	69.8	0	0	113.3	P176 L203 A205 T210	P176-M207 HydrophobicContact CG-CE 4.03Å; P176-M207 HydrophobicContact CG-CG 4.36Å; P176-M207 HydrophobicContact CG-SD 3.62Å; L203-M207 PolarHBondContact O-N 3.37Å; A205-M207 VanDerWaalsContact C-N 3.31Å; A205-M207 PolarHBondContact O-N 2.85Å; M207-T210 PolarHBondContact O-OG1 2.95Å
208	V	41	Very low	47.7	Very low	100 Å²	100	99.9 Å²	99.9	61%	0.606	57%	0.568	S	S	*	*	H	α-helix	trans	-68.8	-40.1	179.8	176.5	0	0	0	0	111.3	A205 A211	A205-V208 PolarHBondContact O-N 3.26Å; V208-A211 PolarHBondContact O-N 3.24Å
209	L	36.3	Very low	45.5	Very low	120 Å²	120	102 Å²	102	63%	0.628	58%	0.583	S	S	*	*	H	α-helix	trans	-66.7	-43.5	-179.4	-67.6	167.9	0	0	0	111.9	A211 Q212	L209-A211 PolarHBondContact O-N 2.9Å; L209-Q212 WeakPolarHBondContact O-CB 3.3Å; L209-Q212 PolarHBondContact O-N 3.15Å
210	T	33.6	Very low	43	Very low	90 Å²	90	103.2 Å²	103.2	55%	0.552	61%	0.605	S	S	*	*	H	α-helix	trans	-65.6	-21.2	180	45.7	0	0	0	0	114.6	S206 M207 Q212 S214	S206-T210 PolarHBondContact O-OG1 2.89Å; M207-T210 PolarHBondContact O-OG1 2.95Å; T210-Q212 VanDerWaalsContact C-N 3.26Å; T210-Q212 PolarHBondContact O-N 2.86Å; T210-S214 PolarHBondContact O-OG 3.47Å
211	A	33.2	Very low	40.7	Very low	63 Å²	63	106.7 Å²	106.7	52%	0.521	62%	0.623	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.1	-15.2	175.1	0	0	0	0	0	113.1	V208 L209	V208-A211 PolarHBondContact O-N 3.24Å; L209-A211 PolarHBondContact O-N 2.9Å
212	Q	31.8	Very low	38.5	Very low	158 Å²	158	108.4 Å²	108.4	74%	0.738	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	-19.8	-172	-145.7	165.9	0.9	0	0	113.5	L209 T210	L209-Q212 WeakPolarHBondContact O-CB 3.3Å; L209-Q212 PolarHBondContact O-N 3.15Å; T210-Q212 VanDerWaalsContact C-N 3.26Å; T210-Q212 PolarHBondContact O-N 2.86Å
213	E	30	Very low	36.3	Very low	167 Å²	167	109.5 Å²	109.5	78%	0.78	64%	0.635	S	S	*	*	S	Bend	trans	-92.5	-9	177.3	-62.1	-170.8	136.7	0	0	113.8
214	S	30.5	Very low	34	Very low	79 Å²	79	116.6 Å²	116.6	55%	0.552	67%	0.673	S	S	*	*	S	Bend	trans	-97	10.2	-171.1	39.3	0	0	0	0	115.5	T210	T210-S214 PolarHBondContact O-OG 3.47Å
215	F	30.9	Very low	32.3	Very low	194 Å²	194	122.2 Å²	122.2	85%	0.851	68%	0.684	S	S	*	*	S	Bend	trans	-135.8	61.6	179	-80.8	-77.4	0	0	0	113.7
216	S	27.3	Very low	31	Very low	105 Å²	105	124.7 Å²	124.7	73%	0.734	69%	0.689	S	S	*	*			trans	-147.3	40.7	-177.5	54.6	0	0	0	0	115.9
217	S	25.8	Very low	30	Very low	108 Å²	108	128.3 Å²	128.3	76%	0.755	70%	0.703	S	S	*	*	S	Bend	trans	-145.8	132	161.1	69.4	0	0	0	0	113.1
218	S	26.6	Very low	28.8	Very low	123 Å²	123	129.2 Å²	129.2	86%	0.86	72%	0.717	S	S	*	*			trans	56.6	124.1	-167.4	70	0	0	0	0	113.8
219	L	27	Very low	28.1	Very low	172 Å²	172	129.3 Å²	129.3	90%	0.901	72%	0.721	S	S	*	*			cis	-140	153.7	49	-173.6	64.2	0	0	0	112.5
220	G	27	Very low	27.6	Very low	65 Å²	65	130.2 Å²	130.2	67%	0.67	73%	0.727	S	S	*	*			trans	-74.9	129.5	177.9	0	0	0	0	0	113.6
221	H	27.3	Very low	27.3	Very low	153 Å²	153	129.9 Å²	129.9	71%	0.708	73%	0.728	S	S	*	*			trans	17.3	116.1	142.9	-136.8	60.2	0	0	0	118.5	Q223	H221-Q223 PolarHBondContact NE2-NE2 2.99Å
222	L	25.6	Very low	27.1	Very low	174 Å²	174	138.7 Å²	138.7	91%	0.911	75%	0.748	S	S	*	*				-142.5	144.1	126.8	-116.1	172.3	0	0	0	109.9
223	Q	27.1	Very low	26.8	Very low	125 Å²	125	134.6 Å²	134.6	58%	0.584	75%	0.748	S	S	*	*			trans	-92.3	146.9	-169.1	-57.3	168.4	7.1	0	0	110.2	H221	H221-Q223 PolarHBondContact NE2-NE2 2.99Å
224	N	26	Very low	26.8	Very low	168 Å²	168	135.4 Å²	135.4	90%	0.898	75%	0.752	S	S	*	*				-142.5	156.5	120.5	-134.1	-24.8	0	0	0	111.2
225	R	24.6	Very low	26.5	Very low	188 Å²	188	137.3 Å²	137.3	71%	0.709	76%	0.76	S	S	*	*			trans	-145.8	165.2	-153.6	-163.2	-165.2	161.1	165.5	-0.5	110
226	N	24.1	Very low	26.3	Very low	112 Å²	112	134.4 Å²	134.4	60%	0.599	76%	0.759	S	S	*	*			trans	75.9	149.2	167	-54.6	-26.7	0	0	0	115.1
227	N	24.7	Very low	26.2	Very low	147 Å²	147	139 Å²	139	79%	0.786	77%	0.765	S	S	*	*			cis	-163	161.9	-13.3	-109.1	-9	0	0	0	111.4
228	S	24.2	Very low	26.3	Very low	103 Å²	103	137.8 Å²	137.8	72%	0.72	76%	0.763	S	S	*	*			trans	144.1	115.7	148.9	-168.4	0	0	0	0	108.1
229	C	26.7	Very low	26.4	Very low	102 Å²	102	143.1 Å²	143.1	69%	0.689	76%	0.764	S	S	*	*				60.8	130.3	67.7	-79.5	0	0	0	0	112.5
230	D	25.7	Very low	26.5	Very low	139 Å²	139	143.9 Å²	143.9	74%	0.743	76%	0.76	S	S	*	*			cis	-148.5	174.2	8.4	-95.1	-50	0	0	0	109.7
231	S	27.2	Very low	26.5	Very low	82 Å²	82	147.9 Å²	147.9	57%	0.573	77%	0.765	S	S	*	*			cis	150.3	163.2	-24.2	78.3	0	0	0	0	108.7
232	R	28.4	Very low	26.5	Very low	248 Å²	248	151 Å²	151	94%	0.936	77%	0.772	S	S	*	*			trans	73.2	133.8	-170.6	-45.9	175.8	-171.1	-142.8	-0.3	114.8
233	G	26.2	Very low	26.6	Very low	73 Å²	73	145.9 Å²	145.9	75%	0.753	76%	0.762	S	S	*	*			cis	129.3	132	-19.9	0	0	0	0	0	116.1
234	Q	29.4	Very low	26.7	Very low	183 Å²	183	147.7 Å²	147.7	86%	0.855	77%	0.77	S	S	*	*			trans	-165.9	120.8	160.5	-100.2	165.3	48.7	0	0	106.5
235	T	25.7	Very low	26.7	Very low	119 Å²	119	145.7 Å²	145.7	73%	0.73	76%	0.76	S	S	*	*				56.1	129.4	90.8	65.1	0	0	0	0	113.9
236	T	26.1	Very low	26.9	Very low	134 Å²	134	144.8 Å²	144.8	82%	0.822	77%	0.766	S	S	*	*			cis	-154	165	23.2	-37.3	0	0	0	0	112.7
237	K	25.5	Very low	27.7	Very low	200 Å²	200	145 Å²	145	87%	0.87	77%	0.773	S	S	*	*			trans	-76.2	-177.9	162.7	-59.5	-178.9	176.4	178.5	0	110.1
238	A	28.3	Very low	29.1	Very low	84 Å²	84	142.1 Å²	142.1	69%	0.694	76%	0.762	S	S	*	*			cis	-170.1	-177.4	24.4	0	0	0	0	0	113.9
239	R	27.1	Very low	29.2	Very low	235 Å²	235	145.3 Å²	145.3	89%	0.887	77%	0.766	S	S	*	*			trans	81	147.8	158.9	-72.8	-177.4	155.9	138	-2	119
240	F	30	Very low	29.2	Very low	187 Å²	187	147 Å²	147	82%	0.82	77%	0.768	S	S	*	*			cis	177.5	158.7	-34.9	-124.6	-77.9	0	0	0	107.4
241	L	26.7	Very low	29.4	Very low	149 Å²	149	144.9 Å²	144.9	78%	0.78	77%	0.77	S	S	*	*			trans	175.9	149.2	134	-89.3	174.9	0	0	0	110.2
242	Y	28.1	Very low	29.4	Very low	218 Å²	218	149.7 Å²	149.7	86%	0.855	78%	0.783	S	S	*	*			trans	-14.1	156.9	170.5	-64.5	-106.8	0	0	0	121.6
243	G	27.6	Very low	29.4	Very low	67 Å²	67	145.8 Å²	145.8	69%	0.691	78%	0.78	S	S	*	*			cis	162	179.8	-4.8	0	0	0	0	0	115.7
244	E	28.5	Very low	29.4	Very low	163 Å²	163	146 Å²	146	76%	0.762	78%	0.782	S	S	*	*			trans	78.2	112.6	158.5	-55.6	-132.9	103.4	0	0	123
245	N	27.1	Very low	29.2	Very low	127 Å²	127	148.1 Å²	148.1	68%	0.679	78%	0.784	S	S	*	*				58.5	106.2	128.3	-45.5	-25.5	0	0	0	120.5
246	M	27.9	Very low	29.2	Very low	169 Å²	169	153 Å²	153	83%	0.833	79%	0.789	S	S	*	*				53.3	145.8	69.6	-74.7	-69	-177.7	0	0	115.2
247	P	41.7	Very low	29.1	Very low	115 Å²	115	153 Å²	153	75%	0.747	78%	0.784	S	S	*	*			cis	-143	-150.3	36.4	52.5	-32.7	0	0	0	114.3
248	P	52.7	Low	29.7	Very low	88 Å²	88	148.9 Å²	148.9	57%	0.571	78%	0.78	S	S	*	*			trans	-125	-163.9	-133.9	31.4	-2.4	0	0	0	113.3
249	Q	27.1	Very low	29.6	Very low	170 Å²	170	153.4 Å²	153.4	79%	0.794	79%	0.791	S	S	*	*				-165.1	135.6	64	-86.5	175.6	-21.4	0	0	109.1
250	D	27	Very low	29.9	Very low	136 Å²	136	151 Å²	151	73%	0.727	79%	0.787	S	S	*	*				76.7	107.5	67.4	-64.6	-46.8	0	0	0	114.9
251	A	30.1	Very low	29.8	Very low	96 Å²	96	150.2 Å²	150.2	79%	0.793	79%	0.786	S	S	*	*			trans	175.2	116.8	136.5	0	0	0	0	0	114.9
252	E	26.7	Very low	29.9	Very low	182 Å²	182	148 Å²	148	85%	0.85	78%	0.779	S	S	*	*			trans	33.3	111.7	139.3	-54	-167.8	127.1	0	0	123.8
253	I	29	Very low	29.9	Very low	167 Å²	167	144.2 Å²	144.2	86%	0.856	77%	0.774	S	S	*	*				22.2	120	110	-52	170.5	0	0	0	117.5
254	G	24.3	Very low	30.2	Very low	78 Å²	78	149.5 Å²	149.5	80%	0.804	78%	0.778	S	S	*	*			trans	-175.6	116.8	165.7	0	0	0	0	0	117.7
255	Y	26	Very low	30.3	Very low	227 Å²	227	147.3 Å²	147.3	89%	0.89	78%	0.775	S	S	*	*			trans	-70	133.1	178.1	-74.1	-108.6	0	0	0	114.7
256	R	25	Very low	30.2	Very low	222 Å²	222	150.3 Å²	150.3	84%	0.838	78%	0.782	S	S	*	*				165.7	139.8	111.8	-94.9	-170.4	173.9	-161.6	-0.3	116.8
257	N	25.5	Very low	30.3	Very low	134 Å²	134	150.5 Å²	150.5	72%	0.717	78%	0.781	S	S	*	*			trans	27.7	112.4	139.7	-57.1	6.8	0	0	0	122.3
258	S	37.1	Very low	29.6	Very low	113 Å²	113	150.1 Å²	150.1	79%	0.79	78%	0.782	S	S	*	*				35.1	114.8	121.8	-50.5	0	0	0	0	122
259	L	26	Very low	28.4	Very low	178 Å²	178	151.3 Å²	151.3	93%	0.932	79%	0.791	S	S	*	*			trans	-162.3	174.1	133.9	-113	157.6	0	0	0	112.6
260	K	33.8	Very low	29.7	Very low	185 Å²	185	148 Å²	148	80%	0.804	78%	0.783	S	S	*	*			trans	-100.2	151.7	-173.6	-54.2	170	-179.4	175.2	0	111.2
261	Q	28	Very low	29.9	Very low	170 Å²	170	151.2 Å²	151.2	79%	0.794	79%	0.792	S	S	*	*				169.3	139.4	117.9	-93.6	-173.9	13.2	0	0	117
262	T	28	Very low	29.7	Very low	103 Å²	103	149.7 Å²	149.7	63%	0.632	79%	0.785	S	S	*	*			trans	63.6	133	138.3	60.6	0	0	0	0	126.4
263	N	29.7	Very low	30.1	Very low	138 Å²	138	152.6 Å²	152.6	74%	0.738	79%	0.788	S	S	*	*			trans	73.4	155.5	134.2	-68.7	-20	0	0	0	122.5
264	K	33.3	Very low	30.2	Very low	179 Å²	179	151.3 Å²	151.3	78%	0.778	79%	0.788	S	S	*	*			cis	-175.5	168.1	-37.8	-140.5	-178.3	-178.3	-179.4	0	111.9
265	T	30	Very low	31.2	Very low	116 Å²	116	152.8 Å²	152.8	71%	0.712	78%	0.783	S	S	*	*			trans	80.8	161.7	170.2	75.8	0	0	0	0	115.9
266	K	25.7	Very low	31.3	Very low	190 Å²	190	149.2 Å²	149.2	83%	0.826	78%	0.778	S	S	*	*			cis	-138.4	162.8	18.2	-66.8	-178.3	177.9	178.9	0	116
267	Q	29.6	Very low	31.5	Very low	173 Å²	173	145.6 Å²	145.6	81%	0.808	78%	0.776	S	S	*	*			trans	-21	160.2	143	-105.6	117.3	-18	0	0	119.1
268	S	27	Very low	31.6	Very low	108 Å²	108	146.4 Å²	146.4	76%	0.755	78%	0.78	S	S	*	*			cis	-165.3	169.2	2.3	27.5	0	0	0	0	114.9
269	C	27.7	Very low	31.2	Very low	113 Å²	113	148.2 Å²	148.2	76%	0.764	78%	0.779	S	S	*	*			trans	-66.3	-179.4	167.6	-39.4	0	0	0	0	113.9
270	P	54.6	Low	31.3	Very low	99 Å²	99	147 Å²	147	64%	0.643	77%	0.774	S	S	*	*				-132.8	-173.5	76.2	42.5	-31.5	0	0	0	112.5
271	F	30.7	Very low	31.2	Very low	205 Å²	205	143.1 Å²	143.1	90%	0.899	77%	0.77	S	S	*	*			cis	-115.7	-147.8	-2.7	-82.3	-77.3	0	0	0	109.2
272	G	27.1	Very low	31.9	Very low	63 Å²	63	140 Å²	140	65%	0.649	77%	0.765	S	S	*	*			cis	-172.1	169.9	0.8	0	0	0	0	0	111.2
273	R	33.6	Very low	31.9	Very low	243 Å²	243	142 Å²	142	92%	0.917	77%	0.772	S	S	*	*			trans	-159.8	158.7	-170.6	-61.9	-174.1	177.8	-164.2	-1.7	115.3
274	V	30.8	Very low	31.8	Very low	141 Å²	141	140.7 Å²	140.7	86%	0.855	77%	0.772	S	S	*	*				-172.1	151.9	121.1	141.3	0	0	0	0	110
275	P	45.5	Very low	31.6	Very low	108 Å²	108	138.9 Å²	138.9	70%	0.701	77%	0.771	S	S	*	*			trans	-131	-164.6	-151.3	44.5	-28.6	0	0	0	115.9
276	L	29.1	Very low	31.6	Very low	152 Å²	152	138.8 Å²	138.8	80%	0.796	77%	0.77	S	S	*	*			trans	146.8	146.4	148.2	-79.9	167.1	0	0	0	110.9
277	N	28.4	Very low	31.7	Very low	146 Å²	146	138.5 Å²	138.5	78%	0.781	77%	0.769	S	S	*	*			cis	-158.8	179.2	-18.2	-142.7	15.9	0	0	0	111.6
278	L	28	Very low	31.7	Very low	152 Å²	152	135.4 Å²	135.4	80%	0.796	76%	0.762	S	S	*	*			trans	-111.4	157.1	173	-80.1	161.4	0	0	0	112.2
279	L	28.9	Very low	31.7	Very low	150 Å²	150	137 Å²	137	79%	0.785	76%	0.761	S	S	*	*				160.6	144	121.9	-85.8	161.2	0	0	0	116.8
280	N	27.5	Very low	31.7	Very low	152 Å²	152	138.6 Å²	138.6	81%	0.813	76%	0.763	S	S	*	*			trans	79.3	150.9	147.9	-67.5	-6.8	0	0	0	124.5
281	S	32.3	Very low	30.4	Very low	105 Å²	105	139.2 Å²	139.2	73%	0.734	77%	0.769	S	S	*	*			trans	-105.2	178.4	-173.5	-143.3	0	0	0	0	111.2
282	P	43.4	Very low	30.3	Very low	105 Å²	105	136.5 Å²	136.5	68%	0.682	77%	0.769	S	S	*	*				-153.2	157.6	64.5	39.4	-17.3	0	0	0	120.5
283	D	27.6	Very low	30.3	Very low	144 Å²	144	140.1 Å²	140.1	77%	0.77	78%	0.778	S	S	*	*			trans	60.3	157.4	134.4	-53.5	-17.7	0	0	0	127.3
284	C	27.9	Very low	30.6	Very low	111 Å²	111	133.6 Å²	133.6	75%	0.75	77%	0.768	S	S	*	*			trans	86.4	99.3	157.4	-68.1	0	0	0	0	122.8
285	D	28.3	Very low	30.4	Very low	141 Å²	141	131.8 Å²	131.8	75%	0.754	76%	0.76	S	S	*	*				58.7	114.6	118	-70	-53.3	0	0	0	125.3
286	V	29.4	Very low	29.6	Very low	114 Å²	114	135.8 Å²	135.8	69%	0.691	77%	0.767	S	S	*	*				71.6	130.5	120.2	176.9	0	0	0	0	122.1
287	K	28.2	Very low	29.7	Very low	184 Å²	184	134.9 Å²	134.9	80%	0.8	76%	0.761	S	S	*	*			trans	95.2	132.9	150.7	-92.8	170	-173.6	175.8	0	123
288	T	29.4	Very low	29.8	Very low	108 Å²	108	136.8 Å²	136.8	66%	0.663	76%	0.763	S	S	*	*			trans	62	121.1	144	49.3	0	0	0	0	123.1
289	D	28.1	Very low	29.9	Very low	140 Å²	140	139.5 Å²	139.5	75%	0.749	76%	0.762	S	S	*	*				70.2	132.7	126.2	-52.6	-13.6	0	0	0	124
290	D	27	Very low	30.1	Very low	148 Å²	148	138.7 Å²	138.7	79%	0.791	76%	0.755	S	S	*	*			trans	59.6	125.3	144.5	-78.6	-15	0	0	0	125
291	S	28.2	Very low	30.3	Very low	112 Å²	112	136.8 Å²	136.8	78%	0.783	75%	0.748	S	S	*	*			trans	70.6	119	145.6	74.4	0	0	0	0	119.3
292	V	27.1	Very low	30.1	Very low	147 Å²	147	137.1 Å²	137.1	89%	0.891	75%	0.751	S	S	*	*			trans	-138.8	110.5	169.4	-179.3	0	0	0	0	112.1
293	V	27.1	Very low	29.3	Very low	139 Å²	139	144 Å²	144	84%	0.842	76%	0.763	S	S	*	*			trans	-151.8	136.4	158.5	-161.5	0	0	0	0	103.2
294	P	40.7	Very low	29.5	Very low	107 Å²	107	141.5 Å²	141.5	70%	0.695	76%	0.757	S	S	*	*			cis	-149.8	-171.1	42.1	44.5	-24.1	0	0	0	117.9
295	C	26.2	Very low	29.6	Very low	103 Å²	103	144.3 Å²	144.3	70%	0.696	76%	0.759	S	S	*	*			trans	70.7	121.9	158.3	-70.7	0	0	0	0	119.1
296	F	28.9	Very low	29.7	Very low	192 Å²	192	142.7 Å²	142.7	84%	0.842	76%	0.758	S	S	*	*				72.4	136.2	65.7	-76	-64.8	0	0	0	113.4
297	I	31	Very low	29.7	Very low	133 Å²	133	147.3 Å²	147.3	68%	0.682	76%	0.763	S	S	*	*				-165.5	161	72.3	-91.2	-177.7	0	0	0	112.6
298	K	30.8	Very low	29.7	Very low	185 Å²	185	143.9 Å²	143.9	80%	0.804	75%	0.753	S	S	*	*			trans	76	153.3	179.3	-62.7	133.8	-168.1	169.3	0	113.1
299	R	30	Very low	29.7	Very low	210 Å²	210	146.1 Å²	146.1	79%	0.792	76%	0.76	S	S	*	*			cis	-168.4	170.5	-16.7	-108.6	-168.7	156	174	-5.4	105.6
300	Q	33.1	Very low	29.6	Very low	133 Å²	133	146.3 Å²	146.3	62%	0.621	77%	0.766	S	S	*	*			cis	-171.1	164.4	-33.1	-111.4	-177.1	-112.1	0	0	102.9
301	T	31.1	Very low	29.6	Very low	111 Å²	111	145.8 Å²	145.8	68%	0.681	77%	0.768	S	S	*	*			cis	-169.3	157	15.6	1.7	0	0	0	0	104.6
302	S	28.3	Very low	29.5	Very low	113 Å²	113	145.1 Å²	145.1	79%	0.79	77%	0.769	S	S	*	*			cis	-173.5	166.2	-12.3	35.6	0	0	0	0	108.1
303	R	26.9	Very low	29.5	Very low	249 Å²	249	141.3 Å²	141.3	94%	0.94	76%	0.76	S	S	*	*			trans	-150.5	139.5	176.2	-175.2	177.7	-179.2	-179.9	2	111
304	S	31.6	Very low	29.6	Very low	92 Å²	92	140.6 Å²	140.6	64%	0.643	76%	0.761	S	S	*	*			trans	-108.2	159.8	170.2	44.8	0	0	0	0	110.1
305	E	30.7	Very low	29.2	Very low	170 Å²	170	145.1 Å²	145.1	79%	0.794	77%	0.77	S	S	*	*			cis	-150.3	144.7	-10.4	-115.1	159.4	168.8	0	0	107.6
306	C	29.9	Very low	30.2	Very low	106 Å²	106	145.6 Å²	145.6	72%	0.716	77%	0.771	S	S	*	*				49.4	137.6	106.9	-64.7	0	0	0	0	115.7
307	R	30	Very low	30.1	Very low	212 Å²	212	142.5 Å²	142.5	80%	0.8	77%	0.773	S	S	*	*			cis	-169.7	171	12.1	-121.5	-177.4	154.6	113.5	5.6	108.8
308	D	27.6	Very low	29.9	Very low	112 Å²	112	139.5 Å²	139.5	60%	0.599	78%	0.776	S	S	*	*			cis	-153.4	-161.1	-9.8	-150.1	-34.9	0	0	0	108.8
309	L	29.2	Very low	29.8	Very low	154 Å²	154	137.8 Å²	137.8	81%	0.806	78%	0.775	S	S	*	*			trans	-97.7	159.7	-175.4	-66.4	151.9	0	0	0	115.6
310	V	26.3	Very low	29.7	Very low	145 Å²	145	134.9 Å²	134.9	88%	0.879	78%	0.775	S	S	*	*				175.2	160.5	119.5	151.9	0	0	0	0	111.9
311	V	27.3	Very low	29.4	Very low	137 Å²	137	133.2 Å²	133.2	83%	0.83	78%	0.778	S	S	*	*			trans	-102.5	141.8	-166.9	174.8	0	0	0	0	113
312	A	26.6	Very low	29.2	Very low	98 Å²	98	133.6 Å²	133.6	81%	0.81	78%	0.784	S	S	*	*				154.9	148.6	128.6	0	0	0	0	0	115.2
313	G	25.5	Very low	29.1	Very low	67 Å²	67	136 Å²	136	69%	0.691	78%	0.783	S	S	*	*			trans	105	119.5	137.9	0	0	0	0	0	120.7
314	S	29.8	Very low	29.1	Very low	123 Å²	123	130.8 Å²	130.8	86%	0.86	77%	0.773	S	S	*	*			trans	47.3	119.7	134.6	49.6	0	0	0	0	122.9
315	K	32.1	Very low	28.8	Very low	203 Å²	203	137 Å²	137	88%	0.883	78%	0.782	S	S	*	*			trans	-71.2	174.7	140.4	-52.5	-179.9	-179.7	179.5	0	109.5
316	P	47.2	Very low	28.7	Very low	113 Å²	113	135.3 Å²	135.3	73%	0.734	78%	0.778	S	S	*	*			cis	-140	-160.1	7.9	44.5	-25	0	0	0	115.1
317	S	28.2	Very low	28.6	Very low	126 Å²	126	137 Å²	137	88%	0.881	78%	0.78	S	S	*	*			trans	71.3	156	172.6	74.5	0	0	0	0	116.4
318	G	26.5	Very low	28.4	Very low	71 Å²	71	136.1 Å²	136.1	73%	0.732	78%	0.782	S	S	*	*			cis	-142.9	-166.2	3.1	0	0	0	0	0	113.6
319	N	28.6	Very low	28.4	Very low	149 Å²	149	135.7 Å²	135.7	80%	0.797	79%	0.787	S	S	*	*			trans	-87.4	-171.9	-178	-75	-8.4	0	0	0	112.8
320	D	27.2	Very low	28.2	Very low	149 Å²	149	133.9 Å²	133.9	80%	0.797	78%	0.782	S	S	*	*			trans	79.6	143.8	158.5	-50.2	-27.6	0	0	0	116.2
321	S	27.9	Very low	28.3	Very low	98 Å²	98	134.9 Å²	134.9	69%	0.685	78%	0.777	S	S	*	*			cis	174.9	131.2	-30.8	51.5	0	0	0	0	106
322	C	25.9	Very low	28.2	Very low	118 Å²	118	134.2 Å²	134.2	80%	0.797	77%	0.77	S	S	*	*			trans	52.4	131.7	148.9	-73.3	0	0	0	0	124
323	E	26.8	Very low	28.4	Very low	163 Å²	163	136.1 Å²	136.1	76%	0.762	77%	0.765	S	S	*	*			trans	84.3	110.7	133.7	-72.8	-164.8	166.5	0	0	124.5
324	L	26.2	Very low	28.4	Very low	140 Å²	140	141.4 Å²	141.4	73%	0.733	77%	0.771	S	S	*	*				87.9	151.5	122	-73.8	171	0	0	0	122.7
325	R	25.3	Very low	28.1	Very low	224 Å²	224	140.6 Å²	140.6	85%	0.845	76%	0.764	S	S	*	*			trans	74.7	149.1	173.1	-54.1	-176.1	-168.1	-166.3	3.6	114.4
326	N	28	Very low	27.9	Very low	133 Å²	133	139 Å²	139	71%	0.711	76%	0.757	S	S	*	*			cis	-167.7	161	-7.8	-108.7	4.6	0	0	0	107.7
327	L	27.7	Very low	26.7	Very low	142 Å²	142	141.3 Å²	141.3	74%	0.743	76%	0.758	S	S	*	*			cis	-169.3	-176.6	-20.5	-130.1	179.4	0	0	0	107.5
328	K	26.2	Very low	27.7	Very low	194 Å²	194	140.3 Å²	140.3	84%	0.843	75%	0.748	S	S	*	*			trans	78	148.4	176.9	-54.6	-179.7	179.1	179.8	0	115.6
329	S	27.5	Very low	27.6	Very low	102 Å²	102	144.6 Å²	144.6	71%	0.713	75%	0.754	S	S	*	*			cis	-170.3	148.3	-20.7	46.2	0	0	0	0	107.7
330	V	26.6	Very low	27.5	Very low	116 Å²	116	143.8 Å²	143.8	70%	0.703	75%	0.754	S	S	*	*				178.5	144.1	88.4	154.2	0	0	0	0	108.6
331	Q	27.8	Very low	27.4	Very low	166 Å²	166	140.8 Å²	140.8	78%	0.776	75%	0.745	S	S	*	*			trans	23.6	144.5	152.1	-65.3	163	-13.7	0	0	121
332	N	25.6	Very low	27.4	Very low	124 Å²	124	143.1 Å²	143.1	66%	0.663	75%	0.75	S	S	*	*			cis	-163	151.2	20.4	-119.6	-8	0	0	0	113.9
333	I	29.3	Very low	27.8	Very low	138 Å²	138	144.9 Å²	144.9	71%	0.708	75%	0.746	S	S	*	*			trans	61.5	117.6	140.7	-60.7	166.9	0	0	0	121.6
334	H	25.6	Very low	28	Very low	177 Å²	177	145.4 Å²	145.4	82%	0.819	75%	0.746	S	S	*	*			trans	33.5	152.6	142.7	-88.7	15.4	0	0	0	123.9
335	C	24.9	Very low	28.6	Very low	106 Å²	106	143.2 Å²	143.2	72%	0.716	74%	0.742	S	S	*	*			cis	-162.6	-170.1	-18.2	-145.7	0	0	0	0	111.2
336	K	26.3	Very low	28.8	Very low	171 Å²	171	137.7 Å²	137.7	74%	0.743	74%	0.738	S	S	*	*			trans	-80.6	160.1	-173.3	-58.1	179.3	164.9	-160.4	0	116.8
337	E	23.1	Very low	29.1	Very low	160 Å²	160	139.5 Å²	139.5	75%	0.748	74%	0.742	S	S	*	*			trans	27.9	161.5	130.9	-60.7	174.9	123.5	0	0	121.9
338	P	48.8	Very low	29.1	Very low	105 Å²	105	139.8 Å²	139.8	68%	0.682	74%	0.744	S	S	*	*			cis	-141.2	-177.1	-32.5	38	-19.5	0	0	0	114.6
339	L	25.3	Very low	29.3	Very low	161 Å²	161	137.2 Å²	137.2	84%	0.843	74%	0.738	S	S	*	*			trans	69.4	155.4	146.6	-101.4	163.6	0	0	0	122
340	V	25.1	Very low	29.5	Very low	132 Å²	132	139.7 Å²	139.7	80%	0.8	74%	0.741	S	S	*	*			trans	79.9	153.7	169	-163.2	0	0	0	0	118.2
341	S	25.4	Very low	29.9	Very low	86 Å²	86	139 Å²	139	60%	0.601	74%	0.738	S	S	*	*			trans	-93.8	159.3	-174.8	50.2	0	0	0	0	114.2
342	D	29	Very low	30.1	Very low	148 Å²	148	136.9 Å²	136.9	79%	0.791	73%	0.731	S	S	*	*				179.4	-175.1	98.6	-100.5	-56.5	0	0	0	114.6
343	E	33.3	Very low	30.3	Very low	154 Å²	154	135.5 Å²	135.5	72%	0.72	73%	0.731	S	S	*	*			trans	-75.4	164.7	-162.1	-60.6	-172.2	133.1	0	0	119.4
344	K	31.8	Very low	30.3	Very low	174 Å²	174	134.4 Å²	134.4	76%	0.757	73%	0.731	S	S	*	*			trans	124.2	152	132	-68.6	-163.9	-179.4	170.5	0	117.6
345	S	38	Very low	30.3	Very low	95 Å²	95	132.5 Å²	132.5	66%	0.664	73%	0.732	S	S	*	*			cis	171.8	129.4	-45.2	52.4	0	0	0	0	109.7
346	S	29.1	Very low	30.4	Very low	107 Å²	107	134.9 Å²	134.9	75%	0.748	74%	0.737	S	S	*	*			trans	-158.1	126.1	162.9	-92.7	0	0	0	0	112.1
347	E	34.1	Very low	30.7	Very low	171 Å²	171	134.8 Å²	134.8	80%	0.799	74%	0.737	S	S	*	*				46.5	145.5	123.2	-59.8	179.2	134.7	0	0	121.5
348	L	28.2	Very low	30.9	Very low	149 Å²	149	134.5 Å²	134.5	78%	0.78	74%	0.74	S	S	*	*			cis	-145.5	170.7	3.6	-152.4	116.2	0	0	0	112.6
349	I	29.7	Very low	30.2	Very low	140 Å²	140	138.9 Å²	138.9	72%	0.718	75%	0.749	S	S	*	*			trans	-99.7	152.8	-157.4	-46	163.9	0	0	0	113.1
350	I	33.4	Very low	30.2	Very low	153 Å²	153	138.4 Å²	138.4	79%	0.785	75%	0.753	S	S	*	*			trans	146.6	128.8	134.9	-79.1	163.8	0	0	0	110.4
351	T	35.1	Very low	30.3	Very low	103 Å²	103	140.8 Å²	140.8	63%	0.632	76%	0.755	S	S	*	*			cis	-142.3	-155.2	-36.5	46.6	0	0	0	0	105.4
352	D	30.8	Very low	30.2	Very low	120 Å²	120	142.1 Å²	142.1	64%	0.642	76%	0.764	S	S	*	*			cis	-162.4	168.2	-0.4	-122.2	-49.3	0	0	0	106.3
353	S	29.4	Very low	30	Very low	95 Å²	95	140 Å²	140	66%	0.664	76%	0.761	S	S	*	*			cis	-147.1	117.6	-3.2	-142.8	0	0	0	0	108.5
354	V	30.3	Very low	29.6	Very low	115 Å²	115	139.4 Å²	139.4	70%	0.697	76%	0.762	S	S	*	*				67.1	97.8	99.6	-179.5	0	0	0	0	115.9
355	T	26.1	Very low	29.2	Very low	138 Å²	138	142.2 Å²	142.2	85%	0.847	77%	0.768	S	S	*	*				-168.2	135.9	109.2	13.6	0	0	0	0	113.6
356	L	26.6	Very low	28.6	Very low	156 Å²	156	142.9 Å²	142.9	82%	0.817	78%	0.779	S	S	*	*			trans	-163.1	151.8	173.2	-95.9	176.4	0	0	0	105.3
357	K	32.4	Very low	28.7	Very low	169 Å²	169	146.1 Å²	146.1	74%	0.735	78%	0.78	S	S	*	*			cis	-160.5	178.9	5	-160.9	168.5	-168.3	171.1	0	107
358	N	26.4	Very low	28.2	Very low	154 Å²	154	145.4 Å²	145.4	82%	0.824	78%	0.78	S	S	*	*				155.9	161.6	128.2	-77.4	-21.5	0	0	0	116
359	K	34.3	Very low	28.1	Very low	197 Å²	197	144.7 Å²	144.7	86%	0.857	77%	0.773	S	S	*	*			trans	-101.6	152.1	160.8	-60	176.1	174.9	-176.5	0	109.4
360	T	26	Very low	27.8	Very low	151 Å²	151	146.8 Å²	146.8	93%	0.926	78%	0.78	S	S	*	*			trans	-169.1	172	131.4	17.7	0	0	0	0	111.2
361	E	26.6	Very low	27.3	Very low	181 Å²	181	144.8 Å²	144.8	85%	0.846	78%	0.775	S	S	*	*			trans	-115	164.1	-168.1	-57.9	170.6	100.4	0	0	114.1
362	S	24	Very low	26.9	Very low	114 Å²	114	147.4 Å²	147.4	80%	0.797	78%	0.778	S	S	*	*			trans	83.3	127.6	140.9	78.1	0	0	0	0	122.5
363	S	24.4	Very low	26.5	Very low	104 Å²	104	148.3 Å²	148.3	73%	0.727	78%	0.778	S	S	*	*			trans	61	124.4	135.2	-138.2	0	0	0	0	120.2
364	L	25.9	Very low	26.1	Very low	141 Å²	141	153.5 Å²	153.5	74%	0.738	78%	0.784	S	S	*	*				-172.5	146.2	70.2	-90.5	168.1	0	0	0	113.9
365	R	23.6	Very low	25.9	Very low	234 Å²	234	156.6 Å²	156.6	88%	0.883	79%	0.791	S	S	*	*			trans	39.4	117.1	147.7	-67.6	-178.5	173.6	-156.6	-1	122
366	A	25	Very low	25.8	Very low	109 Å²	109	158 Å²	158	90%	0.901	79%	0.788	S	S	*	*				-145.8	161.4	127.9	0	0	0	0	0	110
367	K	29.8	Very low	26	Very low	175 Å²	175	156.4 Å²	156.4	76%	0.761	79%	0.787	S	S	*	*			trans	-125.4	142.1	-177.9	-112.1	-163.3	167.4	-148.5	0	110.4	E369	K367-E369 IonicContact NZ-OE1 3.3Å; K367-E369 PolarHBondContact NZ-OE1 3.49Å
368	L	25.3	Very low	25.5	Very low	155 Å²	155	156.7 Å²	156.7	81%	0.812	79%	0.791	S	S	*	*			trans	-169	129.5	142.3	-120.5	65.6	0	0	0	103.5
369	E	24.1	Very low	25.6	Very low	135 Å²	135	154.9 Å²	154.9	63%	0.631	79%	0.785	S	S	*	*				57	120.9	61.1	-68.3	159	-151.4	0	0	109.7	K367	K367-E369 IonicContact NZ-OE1 3.3Å; K367-E369 PolarHBondContact NZ-OE1 3.49Å
370	E	24.8	Very low	25.4	Very low	183 Å²	183	151.5 Å²	151.5	86%	0.855	78%	0.783	S	S	*	*			cis	-127.3	147.5	37.1	-64.6	176.9	113.1	0	0	113.5
371	T	22.5	Very low	25.4	Very low	111 Å²	111	153 Å²	153	68%	0.681	78%	0.78	S	S	*	*				75.4	135.4	69.2	-19.8	0	0	0	0	115.9
372	K	25.9	Very low	25.3	Very low	159 Å²	159	149.4 Å²	149.4	69%	0.691	78%	0.775	S	S	*	*			trans	79.5	149.9	164.1	-65.2	166.6	156.7	-76.2	0	117.4
373	E	22.3	Very low	25.4	Very low	138 Å²	138	149.5 Å²	149.5	65%	0.645	77%	0.767	S	S	*	*			cis	-149.9	-177.1	-8.1	-141.5	124.4	-149.5	0	0	112.2
374	Y	22.4	Very low	25.6	Very low	205 Å²	205	151.1 Å²	151.1	80%	0.804	76%	0.763	S	S	*	*			trans	-42.9	165.8	159.4	-69.8	-102.1	0	0	0	113.2
375	Q	25.1	Very low	25.6	Very low	179 Å²	179	151.7 Å²	151.7	84%	0.836	76%	0.759	S	S	*	*			cis	-167.8	157.5	43.8	-149	160	15.9	0	0	113.6
376	E	25.2	Very low	25.5	Very low	169 Å²	169	148 Å²	148	79%	0.79	75%	0.752	S	S	*	*			trans	-77.5	157.9	160.9	-178.5	173.5	-142.9	0	0	110.2
377	P	30.1	Very low	25.5	Very low	122 Å²	122	155.1 Å²	155.1	79%	0.792	76%	0.755	S	S	*	*			trans	-135.3	116.9	140.6	34	-21.4	0	0	0	114.7
378	E	21.8	Very low	25.2	Very low	174 Å²	174	155 Å²	155	81%	0.813	76%	0.757	S	S	*	*			trans	6	121.3	147.6	-59.9	-176.8	126.7	0	0	120.6
379	V	28.8	Very low	25.3	Very low	117 Å²	117	151.9 Å²	151.9	71%	0.709	75%	0.749	S	S	*	*			trans	-24.8	144.9	134.2	172.9	0	0	0	0	115.4	E381	V379-E381 HydrophobicContact CG1-CG 4.1Å
380	P	30	Very low	25.3	Very low	125 Å²	125	153.5 Å²	153.5	81%	0.812	75%	0.754	S	S	*	*			trans	-108.8	121.6	142.9	33.3	-28.3	0	0	0	112
381	E	25.5	Very low	25.3	Very low	183 Å²	183	154.7 Å²	154.7	86%	0.855	75%	0.751	S	S	*	*			trans	-76.2	147.4	169.8	-67.7	-168.7	116.4	0	0	111.6	V379	V379-E381 HydrophobicContact CG1-CG 4.1Å
382	S	25.9	Very low	25.5	Very low	106 Å²	106	158.6 Å²	158.6	74%	0.741	76%	0.758	S	S	*	*				178.4	161.3	120.3	78.7	0	0	0	0	109.8
383	N	25.5	Very low	25.4	Very low	116 Å²	116	155.7 Å²	155.7	62%	0.62	76%	0.758	S	S	*	*			cis	-159.6	130.6	6.2	-132	-31.1	0	0	0	110
384	Q	27.3	Very low	25.5	Very low	138 Å²	138	153.3 Å²	153.3	65%	0.645	76%	0.762	S	S	*	*			trans	60.4	154.4	145.6	-67.3	173	41.8	0	0	120
385	K	25.9	Very low	25.7	Very low	153 Å²	153	149 Å²	149	67%	0.665	76%	0.76	S	S	*	*			cis	-154	124.3	-0.7	-124.6	160.4	-175.3	157	0	111.7
386	Q	23.4	Very low	25.7	Very low	155 Å²	155	147.6 Å²	147.6	72%	0.724	76%	0.757	S	S	*	*				37.2	121.7	122.2	-174.6	-173.3	15.6	0	0	120.6
387	W	23.4	Very low	25.7	Very low	259 Å²	259	145.9 Å²	145.9	98%	0.981	75%	0.753	S	S	*	*				-140.4	139.2	126.5	-99	83.2	0	0	0	109.2
388	Q	23.5	Very low	25.5	Very low	172 Å²	172	148 Å²	148	80%	0.804	75%	0.753	S	S	*	*			trans	-141.3	136.7	-177	-96.8	-159.2	14.8	0	0	112.6
389	S	27.4	Very low	25.7	Very low	91 Å²	91	147 Å²	147	64%	0.636	75%	0.753	S	S	*	*			trans	174.4	154.1	149	-83	0	0	0	0	108.8
390	K	25.7	Very low	26.3	Very low	168 Å²	168	147 Å²	147	73%	0.73	76%	0.755	S	S	*	*			cis	-167.9	155.5	-13.2	-95	159.4	-171.8	132.1	0	103.1
391	R	24.5	Very low	26	Very low	209 Å²	209	147.8 Å²	147.8	79%	0.789	76%	0.757	S	S	*	*			cis	-167	143.5	11	-120.4	168.3	-175.2	178.3	0.4	107.7
392	K	25.8	Very low	26	Very low	192 Å²	192	143.2 Å²	143.2	84%	0.835	75%	0.751	S	S	*	*			trans	49.1	153.5	137.7	-73.2	-165.8	173.8	-165.3	0	122.5
393	S	24.9	Very low	26	Very low	99 Å²	99	143.5 Å²	143.5	69%	0.692	75%	0.753	S	S	*	*			cis	178.2	169.3	-21.1	53.1	0	0	0	0	111.4
394	A	24.6	Very low	26	Very low	87 Å²	87	143 Å²	143	72%	0.719	76%	0.758	S	S	*	*			trans	80.9	117.4	173.7	0	0	0	0	0	114.9
395	C	25.7	Very low	26	Very low	114 Å²	114	143.1 Å²	143.1	77%	0.77	76%	0.763	S	S	*	*				80.1	113.3	55	-64.4	0	0	0	0	112
396	I	25.8	Very low	25.9	Very low	150 Å²	150	143.6 Å²	143.6	77%	0.769	77%	0.768	S	S	*	*				77.2	113	52.6	-61.3	167.1	0	0	0	112.7
397	N	25.4	Very low	25.8	Very low	134 Å²	134	145.3 Å²	145.3	72%	0.717	77%	0.768	S	S	*	*			trans	166.7	148.5	146.2	-85.7	-16.9	0	0	0	108.6
398	Q	25.8	Very low	25.8	Very low	166 Å²	166	140.8 Å²	140.8	78%	0.776	76%	0.758	S	S	*	*			cis	-159.1	160	-19.2	-121.1	172.5	56.1	0	0	108.9
399	N	25.7	Very low	26.4	Very low	154 Å²	154	139.7 Å²	139.7	82%	0.824	76%	0.756	S	S	*	*			trans	-83.6	158.9	174.4	-94.1	-18.6	0	0	0	110.7
400	P	40.7	Very low	26.6	Very low	116 Å²	116	141.3 Å²	141.3	75%	0.753	76%	0.764	S	S	*	*				-156.7	150.1	75.6	39.4	-17.5	0	0	0	120.8
401	V	24.2	Very low	26.6	Very low	141 Å²	141	141.9 Å²	141.9	86%	0.855	77%	0.769	S	S	*	*			trans	55.6	115.8	135.5	-179.4	0	0	0	0	121.1
402	A	26.1	Very low	26.7	Very low	87 Å²	87	139.7 Å²	139.7	72%	0.719	77%	0.772	S	S	*	*				177.8	136.5	114.8	0	0	0	0	0	115.9
403	S	25.8	Very low	26.8	Very low	112 Å²	112	133.8 Å²	133.8	78%	0.783	76%	0.759	S	S	*	*			trans	39.9	121.9	145.2	63.7	0	0	0	0	125.3
404	S	24.5	Very low	27	Very low	106 Å²	106	139.5 Å²	139.5	74%	0.741	77%	0.766	S	S	*	*				76.8	161.8	127.6	-156.2	0	0	0	0	122.3
405	N	26.5	Very low	26.9	Very low	140 Å²	140	145.5 Å²	145.5	75%	0.749	78%	0.776	S	S	*	*			trans	76.6	131.2	172.1	-48.3	-11.5	0	0	0	113.6
406	Q	23.8	Very low	27	Very low	163 Å²	163	145 Å²	145	76%	0.762	77%	0.769	S	S	*	*			cis	77.1	132.9	20.3	-141.5	-161.8	17.7	0	0	115.7
407	W	23.2	Very low	27	Very low	191 Å²	191	144.5 Å²	144.5	72%	0.723	77%	0.768	S	S	*	*			trans	80.3	112.4	171.2	-68.4	89.1	0	0	0	120.8
408	Q	23	Very low	27.1	Very low	164 Å²	164	144.6 Å²	144.6	77%	0.766	77%	0.767	S	S	*	*			trans	79.4	160.1	130.4	-97.7	-178.5	-7.1	0	0	124.4
409	I	36.1	Very low	27.1	Very low	150 Å²	150	143.8 Å²	143.8	77%	0.769	76%	0.763	S	S	*	*			trans	-79.9	150.8	-179.1	-56.6	153.7	0	0	0	109.8
410	P	30.3	Very low	27.1	Very low	124 Å²	124	142.4 Å²	142.4	81%	0.805	75%	0.752	S	S	*	*			trans	-130.4	134.8	133	34.4	-24.7	0	0	0	113.4
411	E	26.8	Very low	26.5	Very low	180 Å²	180	144.9 Å²	144.9	84%	0.841	75%	0.751	S	S	*	*			trans	-99.6	148.3	165.1	-179.7	-176.9	-129	0	0	108.6
412	L	25.6	Very low	26.5	Very low	163 Å²	163	145.7 Å²	145.7	85%	0.853	75%	0.745	S	S	*	*			trans	-134.5	100	178	-162.9	71.2	0	0	0	113.3
413	A	29.2	Very low	26.4	Very low	68 Å²	68	147.8 Å²	147.8	56%	0.562	75%	0.749	S	S	*	*				21.4	145.2	124.1	0	0	0	0	0	119.5
414	R	27.4	Very low	26.2	Very low	220 Å²	220	147.8 Å²	147.8	83%	0.83	74%	0.744	S	S	*	*			cis	-174.1	157.6	2.5	-113.2	171	-175.3	166.3	-0.2	108.3	V416	R414-V416 HydrophobicContact CB-CG2 4.48Å; R414-V416 HydrophobicContact CG-CG2 4.1Å
415	K	24.1	Very low	26.2	Very low	213 Å²	213	151 Å²	151	93%	0.926	75%	0.745	S	S	*	*			trans	-155.6	158.6	131.7	-112.4	167.2	-174.6	178.3	0	110.6
416	V	27.1	Very low	26	Very low	104 Å²	104	152.3 Å²	152.3	63%	0.63	75%	0.747	S	S	*	*			trans	-147.4	168.2	-145.9	175.6	0	0	0	0	110.8	R414	R414-V416 HydrophobicContact CB-CG2 4.48Å; R414-V416 HydrophobicContact CG-CG2 4.1Å
417	N	25.4	Very low	26.1	Very low	139 Å²	139	153 Å²	153	74%	0.743	75%	0.75	S	S	*	*			trans	96.1	139.8	175.8	-64.5	-22.7	0	0	0	114.8
418	I	28.5	Very low	27	Very low	135 Å²	135	148.7 Å²	148.7	69%	0.692	75%	0.747	S	S	*	*			cis	-146.4	132.1	1.6	-119.1	156.4	0	0	0	107.4
419	E	25.7	Very low	27	Very low	150 Å²	150	146.4 Å²	146.4	70%	0.701	74%	0.744	S	S	*	*				41	135.6	106.6	-64.6	-149.1	115.1	0	0	115.7
420	Q	26.1	Very low	26.5	Very low	125 Å²	125	147.9 Å²	147.9	58%	0.584	75%	0.745	S	S	*	*			cis	-156.4	-174.1	6.8	-111.3	171.7	33.3	0	0	106.3
421	K	26.3	Very low	26.5	Very low	167 Å²	167	147 Å²	147	73%	0.726	74%	0.741	S	S	*	*			cis	-156.1	-162.8	13.6	-143.3	157.9	-173.5	140.7	0	111.6
422	H	24.4	Very low	26.4	Very low	158 Å²	158	145.6 Å²	145.6	73%	0.731	75%	0.745	S	S	*	*			trans	-74.6	158.6	173.2	-54	-138.5	0	0	0	110.7
423	T	24	Very low	26.5	Very low	132 Å²	132	142.2 Å²	142.2	81%	0.81	74%	0.735	S	S	*	*				179.1	175.7	67.2	45.1	0	0	0	0	110.9
424	T	22.5	Very low	26.4	Very low	111 Å²	111	147.4 Å²	147.4	68%	0.681	75%	0.745	S	S	*	*			cis	-179.8	144.7	-32.8	-71.7	0	0	0	0	109.2
425	F	23.8	Very low	26.2	Very low	175 Å²	175	145.2 Å²	145.2	77%	0.768	74%	0.744	S	S	*	*			trans	76.9	138	161.2	-100.4	-129.9	0	0	0	124.1
426	E	22.4	Very low	26.2	Very low	167 Å²	167	140.2 Å²	140.2	78%	0.78	74%	0.736	S	S	*	*			trans	65.4	162.3	143.1	-81.7	-179.8	-172	0	0	126.5
427	Q	26	Very low	27.5	Very low	177 Å²	177	140.6 Å²	140.6	83%	0.827	74%	0.74	S	S	*	*			trans	-111	-159.5	-178.9	-44.6	178.1	-31.4	0	0	108.8
428	P	42	Very low	28.6	Very low	100 Å²	100	139 Å²	139	65%	0.649	74%	0.738	S	S	*	*			cis	-136.9	-169	-16.1	24.5	2	0	0	0	115.2
429	V	23.4	Very low	28.5	Very low	116 Å²	116	140.7 Å²	140.7	70%	0.703	75%	0.745	S	S	*	*			trans	78.3	140.5	148.4	-83.7	0	0	0	0	126.8
430	F	25.7	Very low	29	Very low	181 Å²	181	137.9 Å²	137.9	79%	0.794	74%	0.742	S	S	*	*			trans	70.8	89	149.2	-65.2	-52.4	0	0	0	124.9
431	S	29.6	Very low	29.2	Very low	105 Å²	105	136.1 Å²	136.1	73%	0.734	75%	0.749	S	S	*	*				13.9	130.7	125.4	60.4	0	0	0	0	123.2
432	V	25.7	Very low	29.6	Very low	152 Å²	152	132.8 Å²	132.8	92%	0.921	75%	0.746	S	S	*	*			trans	-141.1	166.1	149.2	179.9	0	0	0	0	109.3
433	S	26.7	Very low	29.8	Very low	91 Å²	91	134.3 Å²	134.3	64%	0.636	75%	0.751	S	S	*	*			trans	-121.8	163.1	-167.9	77.8	0	0	0	0	116.4
434	K	27	Very low	30.1	Very low	178 Å²	178	137.2 Å²	137.2	77%	0.774	75%	0.747	S	S	*	*			trans	78	129.5	155.6	-70.9	177.4	179.6	177.8	0	120.1
435	Q	23.7	Very low	30.1	Very low	174 Å²	174	141.9 Å²	141.9	81%	0.813	76%	0.758	S	S	*	*				41.9	139.7	127.1	-68.1	175.8	-29.6	0	0	120.9
436	S	24.4	Very low	30.3	Very low	108 Å²	108	139.5 Å²	139.5	76%	0.755	75%	0.753	S	S	*	*			cis	-164	-157.5	-6.7	73.3	0	0	0	0	110.1
437	P	55.1	Low	31.6	Very low	111 Å²	111	136.1 Å²	136.1	72%	0.721	75%	0.746	S	S	*	*			trans	-104	-158.4	-154.3	44.3	-31	0	0	0	113.6
438	P	47.8	Very low	31.7	Very low	107 Å²	107	136.5 Å²	136.5	70%	0.695	75%	0.745	S	S	*	*				-161.4	176.3	76	46.4	-25.2	0	0	0	120
439	M	26.8	Very low	31.3	Very low	169 Å²	169	135.8 Å²	135.8	83%	0.833	74%	0.743	S	S	*	*			trans	69.6	159.6	148.4	-66.7	-101.2	114.5	0	0	121.4
440	S	35.4	Very low	31.4	Very low	91 Å²	91	137.8 Å²	137.8	64%	0.636	75%	0.747	S	S	*	*			cis	-173	161.8	-42.8	60.2	0	0	0	0	107.9
441	A	30.7	Very low	31.7	Very low	89 Å²	89	135 Å²	135	74%	0.736	75%	0.749	S	S	*	*				158	168.7	75.2	0	0	0	0	0	106.8
442	S	33.6	Very low	31.7	Very low	97 Å²	97	139.9 Å²	139.9	68%	0.678	76%	0.757	S	S	*	*			cis	-161	176.7	-21.3	56.2	0	0	0	0	105.8
443	K	30.6	Very low	32	Very low	190 Å²	190	139.3 Å²	139.3	83%	0.826	75%	0.754	S	S	*	*			cis	-179	-173.4	45	-136.5	166.4	-168.1	176.7	0	108.3
444	W	29.5	Very low	32.2	Very low	193 Å²	193	140.9 Å²	140.9	73%	0.731	76%	0.762	S	S	*	*				-165.9	146.4	-94.7	178.8	25.5	0	0	0	109.3
445	F	23	Very low	32.4	Very low	209 Å²	209	137.3 Å²	137.3	92%	0.917	76%	0.76	S	S	*	*			trans	-163.7	170.3	145.8	-92.2	-55.8	0	0	0	110.6
446	D	28.4	Very low	32.9	Very low	124 Å²	124	133.7 Å²	133.7	66%	0.663	75%	0.753	S	S	*	*			trans	-157.2	-178.5	-152.3	-144	19.7	0	0	0	109.1
447	P	49	Very low	33.2	Very low	96 Å²	96	135.9 Å²	135.9	62%	0.623	76%	0.757	S	S	*	*			cis	-123.1	-129.7	-8.7	24	3.7	0	0	0	111
448	K	28.5	Very low	32.1	Very low	186 Å²	186	137.6 Å²	137.6	81%	0.809	77%	0.766	S	S	*	*			cis	-172	153	5.7	-139	175.7	-167.4	178.3	0	107.8
449	S	32.6	Very low	31.8	Very low	85 Å²	85	139.6 Å²	139.6	59%	0.594	77%	0.77	S	S	*	*			cis	-177.4	166.1	-29.9	64.9	0	0	0	0	111.1
450	I	26.7	Very low	32.3	Very low	157 Å²	157	138.3 Å²	138.3	81%	0.805	77%	0.766	S	S	*	*			trans	87.6	129.2	154.6	-62.2	160.5	0	0	0	119.6
451	C	31.8	Very low	32.3	Very low	124 Å²	124	140.6 Å²	140.6	84%	0.838	77%	0.771	S	S	*	*			trans	-116	165.4	169.7	-47.4	0	0	0	0	110.7
452	K	28.6	Very low	32.4	Very low	207 Å²	207	146.6 Å²	146.6	90%	0.9	78%	0.776	S	S	*	*			trans	-162.1	145.5	158	-114.4	171	-173.7	-179	0	112.3
453	T	32.1	Very low	32.7	Very low	140 Å²	140	150.8 Å²	150.8	86%	0.859	79%	0.787	S	S	*	*			trans	-111.6	135.8	173.8	-25.4	0	0	0	0	109.9
454	P	30.9	Very low	33	Very low	123 Å²	123	145.7 Å²	145.7	80%	0.799	78%	0.776	S	S	*	*			trans	-107.2	165.2	161	36	-27.3	0	0	0	111.9
455	S	32.4	Very low	33.2	Very low	104 Å²	104	141.9 Å²	141.9	73%	0.727	78%	0.777	S	S	*	*			trans	-114	150.6	-174.7	54.1	0	0	0	0	113
456	S	34.2	Very low	33.7	Very low	97 Å²	97	141.8 Å²	141.8	68%	0.678	78%	0.777	S	S	*	*			trans	56.4	133	153.1	60.6	0	0	0	0	120.4
457	N	30.3	Very low	33.9	Very low	155 Å²	155	147.9 Å²	147.9	83%	0.829	79%	0.79	S	S	*	*			trans	65.6	96.7	156.2	-57.1	-3.7	0	0	0	118.3
458	T	31.2	Very low	33.2	Very low	147 Å²	147	149.6 Å²	149.6	90%	0.902	80%	0.799	S	S	*	*				-155.1	158.4	106.1	24.5	0	0	0	0	110.9
459	L	42.3	Very low	33.5	Very low	149 Å²	149	146.7 Å²	146.7	78%	0.78	80%	0.8	S	S	*	*			trans	-78.2	169.3	170.2	-166.2	63.7	0	0	0	110.2
460	D	36.8	Very low	33.4	Very low	141 Å²	141	148.8 Å²	148.8	75%	0.754	81%	0.808	S	S	*	*			trans	64.1	72.8	166.3	-60.1	-46.8	0	0	0	118.8
461	D	35.4	Very low	33.7	Very low	140 Å²	140	148 Å²	148	75%	0.749	81%	0.811	S	S	*	*			trans	-158.7	74	140.7	-137.3	-19.9	0	0	0	114.6	S464	D461-S464 PolarHBondContact OD1-OG 3.36Å; D461-S464 VanDerWaalsContact OD1-OG 3.07Å
462	Y	33.7	Very low	33.6	Very low	215 Å²	215	149.9 Å²	149.9	84%	0.843	81%	0.805	S	S	*	*	S	Bend	trans	-147.7	32.9	169.4	-162.1	-107.6	0	0	0	113.6
463	M	38.6	Very low	33.7	Very low	184 Å²	184	146.6 Å²	146.6	91%	0.906	80%	0.797	S	S	*	*	S	Bend	trans	-134.1	21	-176.9	-79.3	-64.8	149	0	0	114.1
464	S	37.6	Very low	33.5	Very low	84 Å²	84	146.5 Å²	146.5	59%	0.587	79%	0.791	S	S	*	*			trans	-115.3	5.4	-160.7	39.6	0	0	0	0	116.1	D461	D461-S464 PolarHBondContact OD1-OG 3.36Å; D461-S464 VanDerWaalsContact OD1-OG 3.07Å
465	C	32.4	Very low	33.4	Very low	112 Å²	112	149.5 Å²	149.5	76%	0.757	79%	0.792	S	S	*	*	S	Bend	trans	-110.8	7.4	-171.4	-74.4	0	0	0	0	117.8
466	F	33.6	Very low	34	Very low	207 Å²	207	149.7 Å²	149.7	91%	0.908	79%	0.791	S	S	*	*			trans	-137.6	77.1	176	-74.1	-71.6	0	0	0	113.8
467	R	34.2	Very low	34.7	Very low	252 Å²	252	150.4 Å²	150.4	95%	0.951	79%	0.793	S	S	*	*			trans	-140.8	130.9	154.6	-72	-164.9	-178	-133.7	0.5	110.9
468	T	32.9	Very low	34.5	Very low	132 Å²	132	147.3 Å²	147.3	81%	0.81	79%	0.789	S	S	*	*			trans	-85.3	154.2	172.5	38.1	0	0	0	0	111.4
469	P	36.3	Very low	34.3	Very low	126 Å²	126	145.9 Å²	145.9	82%	0.818	78%	0.784	S	S	*	*			trans	-77.4	147.3	-176	31.3	-35.5	0	0	0	112.7
470	V	29.9	Very low	33.6	Very low	128 Å²	128	146.9 Å²	146.9	78%	0.776	79%	0.785	S	S	*	*			trans	-119.5	125.7	166.9	174.5	0	0	0	0	107.9
471	V	32.7	Very low	33.2	Very low	141 Å²	141	147.3 Å²	147.3	86%	0.855	79%	0.786	S	S	*	*			trans	-85.5	135.1	170.4	-179.3	0	0	0	0	108.8
472	K	30.6	Very low	32.8	Very low	163 Å²	163	146.1 Å²	146.1	71%	0.709	79%	0.789	S	S	*	*			trans	-116.5	162.6	167.2	-81.8	-172.7	173.9	-176.8	0	109.4
473	N	29.1	Very low	32.9	Very low	139 Å²	139	142.2 Å²	142.2	74%	0.743	79%	0.788	S	S	*	*			trans	164.6	137.2	153.4	-91.2	27.2	0	0	0	105.6
474	D	28	Very low	33.1	Very low	137 Å²	137	138.8 Å²	138.8	73%	0.733	78%	0.779	S	S	*	*			cis	-149.2	-178.2	-6.8	-86.8	-46.4	0	0	0	110.7
475	F	29.7	Very low	32.9	Very low	186 Å²	186	146.2 Å²	146.2	82%	0.816	80%	0.796	S	S	*	*			trans	-119.4	-177.4	-172.9	-90.7	-73.1	0	0	0	111.1
476	P	44.2	Very low	32.7	Very low	109 Å²	109	144.2 Å²	144.2	71%	0.708	79%	0.794	S	S	*	*			cis	-130.8	-134.3	-30.5	36.8	-14.5	0	0	0	109.2
477	P	48.5	Very low	32.6	Very low	111 Å²	111	143.6 Å²	143.6	72%	0.721	79%	0.794	S	S	*	*			cis	-134.6	174.8	-28.5	39.5	-21.8	0	0	0	117.6
478	A	27	Very low	32.9	Very low	91 Å²	91	137.2 Å²	137.2	75%	0.752	79%	0.785	S	S	*	*			trans	92.3	144.5	138.9	0	0	0	0	0	125
479	C	27	Very low	32.6	Very low	116 Å²	116	135.2 Å²	135.2	78%	0.784	78%	0.782	S	S	*	*			trans	75.6	98	150.8	-67.7	0	0	0	0	124.8
480	Q	28	Very low	32.1	Very low	171 Å²	171	134.1 Å²	134.1	80%	0.799	78%	0.776	S	S	*	*				49.9	135.1	116.3	-69.4	-168.5	4.5	0	0	125.1
481	L	27.1	Very low	31.9	Very low	149 Å²	149	136 Å²	136	78%	0.78	77%	0.774	S	S	*	*			trans	58.5	122.1	147.1	-87.5	78.4	0	0	0	121.5
482	S	26.9	Very low	31.8	Very low	115 Å²	115	136.2 Å²	136.2	80%	0.804	77%	0.766	S	S	*	*				165.5	148.4	110.2	-72.3	0	0	0	0	114.1
483	T	37.6	Very low	32	Very low	134 Å²	134	134.9 Å²	134.9	82%	0.822	76%	0.762	S	S	*	*			trans	-128.1	151.5	160.6	53.6	0	0	0	0	109.2
484	P	42.9	Very low	32.1	Very low	111 Å²	111	135.8 Å²	135.8	72%	0.721	76%	0.762	S	S	*	*				-155.1	163.7	112.9	36.7	-18.2	0	0	0	116.6
485	Y	32.3	Very low	32.2	Very low	241 Å²	241	136.7 Å²	136.7	95%	0.945	76%	0.762	S	S	*	*			trans	36.8	154.3	147.4	-76	-107.4	0	0	0	122.2
486	G	28.4	Very low	32.2	Very low	70 Å²	70	134.8 Å²	134.8	72%	0.722	76%	0.755	S	S	*	*			cis	-179	-179.4	4	0	0	0	0	0	112.4
487	Q	30.8	Very low	31.4	Very low	194 Å²	194	136.5 Å²	136.5	91%	0.907	75%	0.754	S	S	*	*			trans	-86.1	-178.1	-179.3	-71.7	-171.6	-21.6	0	0	112.8
488	P	41.4	Very low	30.4	Very low	118 Å²	118	138.1 Å²	138.1	77%	0.766	76%	0.755	S	S	*	*			cis	-153.7	-179.6	19.6	46.6	-24.6	0	0	0	121.8
489	A	26.5	Very low	30.9	Very low	90 Å²	90	139.5 Å²	139.5	74%	0.744	76%	0.756	S	S	*	*			trans	70.5	113.5	138.8	0	0	0	0	0	127.4
490	C	26.4	Very low	31	Very low	103 Å²	103	138.7 Å²	138.7	70%	0.696	76%	0.758	S	S	*	*				71	152.6	115.3	-148.6	0	0	0	0	126.3
491	F	25.2	Very low	31	Very low	166 Å²	166	137.4 Å²	137.4	73%	0.728	76%	0.762	S	S	*	*			trans	106.9	110	162.1	-68	-80.5	0	0	0	117.5
492	Q	31	Very low	31.3	Very low	146 Å²	146	135.8 Å²	135.8	68%	0.682	76%	0.76	S	S	*	*				75	143.6	81.1	-71.7	-166.9	-3.9	0	0	114.9
493	Q	33.1	Very low	31.4	Very low	136 Å²	136	138.7 Å²	138.7	64%	0.636	77%	0.766	S	S	*	*			cis	-164.5	152.9	0.5	-121.1	-177.3	2.4	0	0	113.1
494	Q	31.1	Very low	31.1	Very low	158 Å²	158	141 Å²	141	74%	0.738	77%	0.767	S	S	*	*			trans	50.2	148.6	150.1	-63.8	178.2	6.8	0	0	121.8
495	Q	30.1	Very low	30.5	Very low	156 Å²	156	143.2 Å²	143.2	73%	0.729	77%	0.773	S	S	*	*			cis	-159.2	150.6	47.8	-71.7	-177.4	-5.8	0	0	115.1
496	Q	29.6	Very low	30.4	Very low	146 Å²	146	139.1 Å²	139.1	68%	0.682	77%	0.767	S	S	*	*			trans	58.8	152.1	139.2	-65.3	-174.3	41.4	0	0	121.4
497	Q	27.6	Very low	30.6	Very low	145 Å²	145	144.7 Å²	144.7	68%	0.678	77%	0.774	S	S	*	*			cis	-162	141.3	2.9	-126.5	-169.6	53.7	0	0	114.1
498	I	29.1	Very low	30.6	Very low	145 Å²	145	141.1 Å²	141.1	74%	0.744	77%	0.765	S	S	*	*			trans	57.7	175.5	157.3	5.8	179.9	0	0	0	121.9
499	P	37.4	Very low	30	Very low	120 Å²	120	143.2 Å²	143.2	78%	0.779	77%	0.769	S	S	*	*				-133.7	173.2	-120.4	46.3	-27.4	0	0	0	118.9
500	A	27.9	Very low	30.2	Very low	98 Å²	98	143.1 Å²	143.1	81%	0.81	77%	0.768	S	S	*	*			trans	-149	151.1	155.8	0	0	0	0	0	112
501	T	29.1	Very low	30.5	Very low	145 Å²	145	143.4 Å²	143.4	89%	0.89	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-72.3	135.1	-169.3	8.7	0	0	0	0	114.9
502	P	33.8	Very low	31.1	Very low	115 Å²	115	141 Å²	141	75%	0.747	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-89.6	125.9	167.5	33.5	-30.5	0	0	0	112
503	L	27.9	Very low	31.6	Very low	175 Å²	175	138.4 Å²	138.4	92%	0.916	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-72.7	129.9	160.5	-102.9	163.5	0	0	0	109	N505	L503-N505 PolarHBondContact O-N 3.29Å
504	Q	32.3	Very low	32.3	Very low	182 Å²	182	136.4 Å²	136.4	85%	0.85	78%	0.78	S	S	*	*			trans	-73	112.3	-176.6	-72.2	174	-36.8	0	0	111.1	L506	Q504-L506 PolarHBondContact O-N 2.8Å
505	N	30.3	Very low	33.7	Very low	158 Å²	158	134.8 Å²	134.8	85%	0.845	78%	0.776	S	S	*	*			trans	-64.8	126.8	161.8	-92.6	-28.1	0	0	0	109.3	L503 Q507	L503-N505 PolarHBondContact O-N 3.29Å; N505-Q507 PolarHBondContact O-N 3.14Å
506	L	29.9	Very low	36.4	Very low	155 Å²	155	134.1 Å²	134.1	81%	0.812	77%	0.773	S	S	*	*			trans	-65.8	100.9	172	-125	74.5	0	0	0	109.1	Q504 V508	Q504-L506 PolarHBondContact O-N 2.8Å; L506-V508 VanDerWaalsContact C-N 3.26Å; L506-V508 PolarHBondContact O-N 3.44Å
507	Q	32.1	Very low	39.4	Very low	187 Å²	187	130.6 Å²	130.6	87%	0.874	76%	0.764	S	S	*	*			trans	-69.9	92.2	159.8	-75.8	-171.7	-12.9	0	0	107.6	N505 L509	N505-Q507 PolarHBondContact O-N 3.14Å; Q507-L509 PolarHBondContact O-N 2.93Å
508	V	31.1	Very low	42.7	Very low	120 Å²	120	124.1 Å²	124.1	73%	0.727	73%	0.734	S	S	*	*			trans	-61	104.4	165.7	176.3	0	0	0	0	106.6	L506 A510	L506-V508 VanDerWaalsContact C-N 3.26Å; L506-V508 PolarHBondContact O-N 3.44Å; V508-A510 VanDerWaalsContact C-N 3.34Å; V508-A510 PolarHBondContact O-N 3.23Å
509	L	28.2	Very low	45.9	Very low	162 Å²	162	120.2 Å²	120.2	85%	0.848	72%	0.719	S	S	*	*			trans	-64.5	97.8	175.2	-169.3	78.1	0	0	0	107.5	Q507 S511	Q507-L509 PolarHBondContact O-N 2.93Å; L509-S511 PolarHBondContact O-N 3.38Å
510	A	31.1	Very low	48.7	Very low	87 Å²	87	114.5 Å²	114.5	72%	0.719	68%	0.682	S	S	*	*			trans	-65.5	97.5	178.5	0	0	0	0	0	108.8	V508 S512	V508-A510 VanDerWaalsContact C-N 3.34Å; V508-A510 PolarHBondContact O-N 3.23Å; A510-S512 PolarHBondContact O-N 2.63Å
511	S	32.4	Very low	51.8	Low	109 Å²	109	115.1 Å²	115.1	76%	0.762	67%	0.667	S	S	*	*			trans	-61.3	103.1	168.8	39.6	0	0	0	0	107.8	L509 S513	L509-S511 PolarHBondContact O-N 3.38Å; S511-S513 PolarHBondContact O-N 3.09Å
512	S	37.9	Very low	54.8	Low	116 Å²	116	111.3 Å²	111.3	81%	0.811	66%	0.656	S	S	*	*			trans	-70.7	80.6	176.7	57.4	0	0	0	0	109.2	A510 A514	A510-S512 PolarHBondContact O-N 2.63Å; S512-A514 PolarHBondContact O-N 3.46Å; S512-A514 VanDerWaalsContact O-N 3.1Å
513	S	41.2	Very low	57.8	Low	92 Å²	92	112 Å²	112	64%	0.643	64%	0.644	S	S	*	*			trans	-52.1	117.3	161.9	53.9	0	0	0	0	107.3	S511 N515	S511-S513 PolarHBondContact O-N 3.09Å; S513-N515 PolarHBondContact O-N 2.87Å; S513-N515 VanDerWaalsContact O-N 3.08Å
514	A	47.9	Very low	61.1	Low	94 Å²	94	108.2 Å²	108.2	78%	0.777	62%	0.623	S	S	*	*			trans	-55.1	121.1	170.5	0	0	0	0	0	107.1	S512 E516	S512-A514 PolarHBondContact O-N 3.46Å; S512-A514 VanDerWaalsContact O-N 3.1Å; A514-E516 PolarHBondContact O-N 3.06Å
515	N	61.6	Low	64.2	Low	124 Å²	124	99.9 Å²	99.9	66%	0.663	58%	0.584	S	S	*	*			trans	-64.6	102	-179.8	-73.2	-40.3	0	0	0	107.6	S513 C517	S513-N515 PolarHBondContact O-N 2.87Å; S513-N515 VanDerWaalsContact O-N 3.08Å; N515-C517 PolarHBondContact O-N 3.46Å; N515-C517 PolarHBondContact O-SG 3.21Å
516	E	87.1	Confident	67.4	Low	141 Å²	141	93.5 Å²	93.5	66%	0.659	55%	0.552	S	S	*	*			trans	-59.9	123.7	-179.3	-163.4	173.7	-141.8	0	0	108.5	A514 I527	A514-E516 PolarHBondContact O-N 3.06Å; E516-I527 HydrophobicContact CB-CD1 4.1Å; E516-I527 HydrophobicContact CG-CD1 3.89Å; E516-I527 WeakPolarHBondContact O-CB 3.15Å; E516-I527 WeakPolarHBondContact O-CG1 3.32Å; E516-I527 PolarHBondContact O-N 3.08Å
517	C	92.7	Very high	70.6	Confident	72 Å²	72	87.4 Å²	87.4	49%	0.486	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	138.5	-170.8	-73.3	0	0	0	0	110.6	N515 I524 Y525	N515-C517 PolarHBondContact O-N 3.46Å; N515-C517 PolarHBondContact O-SG 3.21Å; C517-I524 HydrophobicContact CB-CG2 4.05Å; C517-Y525 CarbonylContact C-O 3.5Å; C517-Y525 WeakPolarHBondContact CA-O 3.32Å
518	I	95.5	Very high	73.6	Confident	9 Å²	9	82.8 Å²	82.8	5%	0.046	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	133.2	172.9	-55.5	175.7	0	0	0	107.7	V520 Y525 I527 F540 V542 I552 Y599	I518-V520 HydrophobicContact CG2-CG2 3.81Å; I518-Y525 PolarHBondContact N-O 3.07Å; I518-Y525 PolarHBondContact O-N 3.05Å; I518-I527 HydrophobicContact CD1-CD1 3.91Å; I518-I527 HydrophobicContact CD1-CG1 3.98Å; I518-I527 HydrophobicContact CG1-CD1 3.87Å; I518-I527 HydrophobicContact CG1-CG1 3.98Å; I518-F540 HydrophobicContact CD1-CB 4.5Å; I518-F540 HydrophobicContact CD1-CD2 3.84Å; I518-F540 HydrophobicContact CD1-CE2 4.36Å; I518-F540 HydrophobicContact CD1-CG 4.3Å; I518-V542 HydrophobicContact CD1-CG1 4.49Å; I518-I552 HydrophobicContact CB-CD1 4.3Å; I518-I552 HydrophobicContact CD1-CB 4.3Å; I518-I552 HydrophobicContact CD1-CD1 4.32Å; I518-I552 HydrophobicContact CD1-CG2 3.94Å; I518-I552 HydrophobicContact CG2-CD1 4.24Å; I518-Y599 HydrophobicContact CD1-CE1 4.16Å; I518-Y599 HydrophobicContact CG1-CE1 4.49Å; I518-Y599 HydrophobicContact CG2-CD1 3.82Å; I518-Y599 HydrophobicContact CG2-CD2 4.4Å; I518-Y599 HydrophobicContact CG2-CE1 3.46Å; I518-Y599 VanDerWaalsContact CG2-CE1 3.46Å; I518-Y599 HydrophobicContact CG2-CE2 4.13Å; I518-Y599 HydrophobicContact CG2-CG 4.27Å
519	S	95.9	Very high	76.5	Confident	63 Å²	63	82.6 Å²	82.6	44%	0.441	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	134.5	164.8	-172.5	0	0	0	0	108.8	R523	S519-R523 WeakPolarHBondContact CA-O 3.25Å
520	V	96.6	Very high	79.7	Confident	0 Å²	0	79.2 Å²	79.2	0%	0	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	119.7	169.5	-167.2	0	0	0	0	108	I518 G522 R523 Y525 I552 E592 Y599 V601	I518-V520 HydrophobicContact CG2-CG2 3.81Å; V520-G522 PolarHBondContact O-N 2.89Å; V520-R523 PolarHBondContact N-O 3.46Å; V520-R523 WeakPolarHBondContact O-CB 3.48Å; V520-R523 PolarHBondContact O-N 3.46Å; V520-Y525 HydrophobicContact CB-CE2 4.07Å; V520-Y525 HydrophobicContact CG2-CD2 4.28Å; V520-Y525 HydrophobicContact CG2-CE2 4.24Å; V520-I552 HydrophobicContact CG2-CD1 4.07Å; V520-E592 HydrophobicContact CG1-CB 3.71Å; V520-Y599 HydrophobicContact CG2-CD2 4.46Å; V520-Y599 HydrophobicContact CG2-CG 4.09Å; V520-V601 HydrophobicContact CB-CG2 4.02Å; V520-V601 HydrophobicContact CG1-CG2 3.98Å; V520-V601 HydrophobicContact CG2-CG2 4Å
521	K	94.3	Very high	82.4	Confident	112 Å²	112	79 Å²	79	49%	0.487	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.2	42.9	-170.6	-65.7	-169.8	-174.8	140.1	0	113.6	R523 D590 Y591 E592	K521-R523 PolarHBondContact O-N 3.32Å; K521-D590 WeakPolarHBondContact CD-OD1 3.43Å; K521-D590 WeakPolarHBondContact CE-OD1 3.34Å; K521-D590 IonicContact NZ-OD1 3.13Å; K521-D590 PolarHBondContact NZ-OD1 2.94Å; K521-Y591 WeakPolarHBondContact CE-O 3.38Å; K521-Y591 PolarHBondContact NZ-O 3.46Å; K521-E592 WeakPolarHBondContact CA-OE2 3.11Å; K521-E592 PolarHBondContact N-OE2 3.02Å
522	G	92	Very high	84.8	Confident	64 Å²	64	75 Å²	75	66%	0.66	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	3.9	179.5	0	0	0	0	0	115.6	V520	V520-G522 PolarHBondContact O-N 2.89Å
523	R	95.9	Very high	86.8	Confident	131 Å²	131	73.7 Å²	73.7	49%	0.494	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	134.5	170.7	-63.6	178.1	-179.9	149.9	3.9	110	S519 V520 K521 Y525 D590	S519-R523 WeakPolarHBondContact CA-O 3.25Å; V520-R523 PolarHBondContact N-O 3.46Å; V520-R523 WeakPolarHBondContact O-CB 3.48Å; V520-R523 PolarHBondContact O-N 3.46Å; K521-R523 PolarHBondContact O-N 3.32Å; R523-Y525 HydrophobicContact CB-CE2 3.71Å; R523-Y525 WeakPolarHBondContact O-CD2 3.39Å; R523-Y525 WeakPolarHBondContact O-CE2 3.42Å; R523-D590 IonicContact CZ-OD2 3.85Å; R523-D590 IonicContact NH1-OD2 3.04Å; R523-D590 PolarHBondContact NH1-OD2 2.92Å
524	I	96.5	Very high	88.2	Confident	94 Å²	94	71.1 Å²	71.1	48%	0.482	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	131.7	-177.1	-54.1	179.3	0	0	0	110.6	C517	C517-I524 HydrophobicContact CB-CG2 4.05Å
525	Y	97.8	Very high	89.3	Confident	8 Å²	8	70 Å²	70	3%	0.031	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	119.1	177.1	-59.1	-95.2	0	0	0	110.2	C517 I518 V520 R523 V542 L543 N544 Y550 I552 V601	C517-Y525 CarbonylContact C-O 3.5Å; C517-Y525 WeakPolarHBondContact CA-O 3.32Å; I518-Y525 PolarHBondContact N-O 3.07Å; I518-Y525 PolarHBondContact O-N 3.05Å; V520-Y525 HydrophobicContact CB-CE2 4.07Å; V520-Y525 HydrophobicContact CG2-CD2 4.28Å; V520-Y525 HydrophobicContact CG2-CE2 4.24Å; R523-Y525 HydrophobicContact CB-CE2 3.71Å; R523-Y525 WeakPolarHBondContact O-CD2 3.39Å; R523-Y525 WeakPolarHBondContact O-CE2 3.42Å; Y525-V542 HydrophobicContact CD1-CG2 3.84Å; Y525-V542 HydrophobicContact CG-CG2 4.2Å; Y525-L543 CarbonylContact C-O 3.54Å; Y525-L543 VanDerWaalsContact CA-O 3.27Å; Y525-L543 WeakPolarHBondContact CA-O 3.45Å; Y525-N544 HydrophobicContact CD1-CB 3.94Å; Y525-N544 HydrophobicContact CE1-CB 3.9Å; Y525-Y550 HydrophobicContact CD1-CD2 4.33Å; Y525-Y550 HydrophobicContact CE1-CD2 4.02Å; Y525-Y550 HydrophobicContact CE1-CE2 4.42Å; Y525-Y550 HydrophobicContact CE1-CG 4.44Å; Y525-I552 HydrophobicContact CD1-CD1 4.15Å; Y525-I552 HydrophobicContact CD2-CD1 3.84Å; Y525-I552 HydrophobicContact CE2-CD1 4.45Å; Y525-I552 HydrophobicContact CG-CD1 3.68Å; Y525-V601 HydrophobicContact CE1-CG1 3.94Å; Y525-V601 HydrophobicContact CE2-CG2 4.18Å
526	S	97.2	Very high	90.2	Very high	23 Å²	23	66.6 Å²	66.6	16%	0.161	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	126.1	175.1	58.4	0	0	0	0	110.5	V542 L543	S526-V542 CarbonylContact O-C 3.52Å; S526-V542 VanDerWaalsContact O-CA 3.32Å; S526-V542 WeakPolarHBondContact O-CA 3.19Å; S526-L543 PolarHBondContact N-O 3.03Å; S526-L543 PolarHBondContact O-N 3Å; S526-L543 PolarHBondContact OG-O 3.28Å
527	I	97	Very high	90.1	Very high	27 Å²	27	60.9 Å²	60.9	14%	0.138	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	134.2	177.1	-59.6	176.2	0	0	0	109.9	E516 I518 F540 V542	E516-I527 HydrophobicContact CB-CD1 4.1Å; E516-I527 HydrophobicContact CG-CD1 3.89Å; E516-I527 WeakPolarHBondContact O-CB 3.15Å; E516-I527 WeakPolarHBondContact O-CG1 3.32Å; E516-I527 PolarHBondContact O-N 3.08Å; I518-I527 HydrophobicContact CD1-CD1 3.91Å; I518-I527 HydrophobicContact CD1-CG1 3.98Å; I518-I527 HydrophobicContact CG1-CD1 3.87Å; I518-I527 HydrophobicContact CG1-CG1 3.98Å; I527-F540 HydrophobicContact CD1-CD1 4.11Å; I527-F540 HydrophobicContact CD1-CE1 4.35Å; I527-F540 HydrophobicContact CD1-CG 4.36Å; I527-F540 HydrophobicContact CG2-CB 4.37Å; I527-F540 HydrophobicContact CG2-CD1 4.04Å; I527-V542 HydrophobicContact CG1-CG1 4.23Å
528	L	95.1	Very high	90.1	Very high	90 Å²	90	62 Å²	62	47%	0.471	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-43.7	168.2	-65.7	-178.1	0	0	0	111.8	Q541 L543	L528-Q541 HydrophobicContact CB-CG 4.49Å; L528-Q541 WeakPolarHBondContact CB-O 3.45Å; L528-Q541 HydrophobicContact CD1-CG 4.25Å; L528-Q541 PolarHBondContact N-O 3.44Å; L528-L543 HydrophobicContact CD1-CD1 4.18Å; L528-L543 HydrophobicContact CD1-CD2 3.91Å; L528-L543 HydrophobicContact CD1-CG 3.73Å; L528-L543 HydrophobicContact CD2-CD1 4Å; L528-L543 HydrophobicContact CD2-CG 4.1Å; L528-L543 HydrophobicContact CG-CD1 4.4Å; L528-L543 HydrophobicContact CG-CG 3.97Å
529	K	93.5	Very high	90	Very high	117 Å²	117	63.2 Å²	63.2	51%	0.509	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.3	156.8	175.7	53.8	172.3	177.3	172.8	0	111.1	I531 F540 Q541	K529-I531 HydrophobicContact CD-CG2 4.1Å; K529-I531 HydrophobicContact CG-CG2 4Å; K529-F540 CarbonylContact O-C 3.48Å; K529-F540 WeakPolarHBondContact O-CA 3.41Å; K529-Q541 HydrophobicContact CG-CB 4.16Å; K529-Q541 PolarHBondContact N-O 3.07Å; K529-Q541 PolarHBondContact O-N 3.45Å
530	Q	93.5	Very high	90	Very high	90 Å²	90	61.3 Å²	61.3	42%	0.421	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	134.7	159.9	-161.8	177.3	-88.5	0	0	109.1	G532 V539 F540	Q530-G532 WeakPolarHBondContact CG-O 3.45Å; Q530-V539 CarbonylContact C-O 3.54Å; Q530-V539 WeakPolarHBondContact CG-O 3.49Å; Q530-F540 HydrophobicContact CB-CD1 4Å; Q530-F540 HydrophobicContact CB-CE1 4.11Å; Q530-F540 HydrophobicContact CG-CD1 4.1Å; Q530-F540 HydrophobicContact CG-CE1 4Å
531	I	89.1	Confident	90	Very high	82 Å²	82	63 Å²	63	42%	0.421	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	-13.2	177.4	59.4	171.9	0	0	0	113.3	K529 V539 Q541 A551	K529-I531 HydrophobicContact CD-CG2 4.1Å; K529-I531 HydrophobicContact CG-CG2 4Å; I531-V539 HydrophobicContact CD1-CG1 3.92Å; I531-V539 HydrophobicContact CG1-CB 4.06Å; I531-V539 HydrophobicContact CG1-CG1 3.79Å; I531-V539 WeakPolarHBondContact CG1-O 3.4Å; I531-V539 PolarHBondContact N-O 3.19Å; I531-Q541 HydrophobicContact CD1-CB 4.42Å; I531-Q541 HydrophobicContact CG2-CB 3.69Å; I531-A551 HydrophobicContact CD1-CB 4.32Å
532	G	82	Confident	90.2	Very high	26 Å²	26	57.7 Å²	57.7	27%	0.268	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	159	173.3	0	0	0	0	0	112.8	Q530 V539	Q530-G532 WeakPolarHBondContact CG-O 3.45Å; G532-V539 PolarHBondContact N-O 3.32Å; G532-V539 PolarHBondContact O-N 3.47Å
533	S	81.1	Confident	90.4	Very high	88 Å²	88	56.3 Å²	56.3	62%	0.615	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-158.5	143.3	176.2	49.4	0	0	0	0	110.7	S537	S533-S537 CarbonylContact C-O 3.59Å; S533-S537 WeakPolarHBondContact CA-O 3.41Å
534	G	69	Low	90.5	Very high	38 Å²	38	51.2 Å²	51.2	39%	0.392	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.5	126	174.7	0	0	0	0	0	112.4	S536 S537	G534-S536 PolarHBondContact O-N 3.47Å; G534-S537 PolarHBondContact N-O 3.01Å; G534-S537 WeakPolarHBondContact O-CB 3.36Å; G534-S537 PolarHBondContact O-N 3.09Å
535	G	72.9	Confident	90.3	Very high	71 Å²	71	52.9 Å²	52.9	73%	0.732	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	-132.2	-172.7	0	0	0	0	0	111.3	S537	G535-S537 PolarHBondContact O-N 3.12Å
536	S	79.6	Confident	90.3	Very high	52 Å²	52	60.6 Å²	60.6	36%	0.364	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-7.8	174.7	58.1	0	0	0	0	114.7	G534 N556	G534-S536 PolarHBondContact O-N 3.47Å; S536-N556 VanDerWaalsContact CB-O 3.3Å; S536-N556 WeakPolarHBondContact CB-O 3.49Å; S536-N556 PolarHBondContact O-N 3.37Å
537	S	85.8	Confident	90.2	Very high	22 Å²	22	66.1 Å²	66.1	15%	0.154	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	140	-173.8	-64.1	0	0	0	0	113.6	S533 G534 G535 F554	S533-S537 CarbonylContact C-O 3.59Å; S533-S537 WeakPolarHBondContact CA-O 3.41Å; G534-S537 PolarHBondContact N-O 3.01Å; G534-S537 WeakPolarHBondContact O-CB 3.36Å; G534-S537 PolarHBondContact O-N 3.09Å; G535-S537 PolarHBondContact O-N 3.12Å; S537-F554 CarbonylContact C-O 3.5Å; S537-F554 VanDerWaalsContact CA-O 3.29Å; S537-F554 WeakPolarHBondContact CA-O 3.36Å
538	K	90.9	Very high	90.2	Very high	95 Å²	95	69.3 Å²	69.3	41%	0.413	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	149.7	168.6	-63.8	178	-178.5	177.7	0	109.5	F540 K553 F554	K538-F540 HydrophobicContact CB-CE2 3.75Å; K538-F540 HydrophobicContact CB-CZ 3.81Å; K538-F540 HydrophobicContact CD-CE2 4.37Å; K538-F540 HydrophobicContact CD-CZ 3.75Å; K538-F540 HydrophobicContact CG-CZ 4.43Å; K538-K553 CarbonylContact O-C 3.53Å; K538-K553 WeakPolarHBondContact O-CA 3.4Å; K538-F554 HydrophobicContact CB-CB 4.48Å; K538-F554 HydrophobicContact CB-CD1 4.38Å; K538-F554 HydrophobicContact CD-CD1 4.47Å; K538-F554 PolarHBondContact N-O 2.81Å; K538-F554 PolarHBondContact O-N 3.3Å; K538-F554 VanDerWaalsContact O-O 3.11Å
539	V	94	Very high	90.3	Very high	35 Å²	35	69 Å²	69	21%	0.212	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	127	174.3	-168.3	0	0	0	0	109.3	Q530 I531 G532 A551 I552 K553	Q530-V539 CarbonylContact C-O 3.54Å; Q530-V539 WeakPolarHBondContact CG-O 3.49Å; I531-V539 HydrophobicContact CD1-CG1 3.92Å; I531-V539 HydrophobicContact CG1-CB 4.06Å; I531-V539 HydrophobicContact CG1-CG1 3.79Å; I531-V539 WeakPolarHBondContact CG1-O 3.4Å; I531-V539 PolarHBondContact N-O 3.19Å; G532-V539 PolarHBondContact N-O 3.32Å; G532-V539 PolarHBondContact O-N 3.47Å; V539-A551 HydrophobicContact CG1-CB 4.33Å; V539-I552 CarbonylContact C-O 3.56Å; V539-I552 WeakPolarHBondContact CA-O 3.48Å; V539-K553 HydrophobicContact CG2-CB 4.17Å; V539-K553 HydrophobicContact CG2-CG 4.21Å
540	F	95.9	Very high	90.5	Very high	22 Å²	22	65 Å²	65	10%	0.096	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	133.9	-177.7	-56.5	-81.1	0	0	0	110.6	I518 I527 K529 Q530 K538 V542 A551 I552 F554	I518-F540 HydrophobicContact CD1-CB 4.5Å; I518-F540 HydrophobicContact CD1-CD2 3.84Å; I518-F540 HydrophobicContact CD1-CE2 4.36Å; I518-F540 HydrophobicContact CD1-CG 4.3Å; I527-F540 HydrophobicContact CD1-CD1 4.11Å; I527-F540 HydrophobicContact CD1-CE1 4.35Å; I527-F540 HydrophobicContact CD1-CG 4.36Å; I527-F540 HydrophobicContact CG2-CB 4.37Å; I527-F540 HydrophobicContact CG2-CD1 4.04Å; K529-F540 CarbonylContact O-C 3.48Å; K529-F540 WeakPolarHBondContact O-CA 3.41Å; Q530-F540 HydrophobicContact CB-CD1 4Å; Q530-F540 HydrophobicContact CB-CE1 4.11Å; Q530-F540 HydrophobicContact CG-CD1 4.1Å; Q530-F540 HydrophobicContact CG-CE1 4Å; K538-F540 HydrophobicContact CB-CE2 3.75Å; K538-F540 HydrophobicContact CB-CZ 3.81Å; K538-F540 HydrophobicContact CD-CE2 4.37Å; K538-F540 HydrophobicContact CD-CZ 3.75Å; K538-F540 HydrophobicContact CG-CZ 4.43Å; F540-V542 HydrophobicContact CB-CG1 3.86Å; F540-A551 CarbonylContact O-C 3.53Å; F540-A551 VanDerWaalsContact O-CA 3.31Å; F540-A551 WeakPolarHBondContact O-CA 3.4Å; F540-I552 PolarHBondContact N-O 2.89Å; F540-I552 PolarHBondContact O-N 3.29Å; F540-F554 HydrophobicContact CE2-CB 4.03Å
541	Q	97.1	Very high	90.7	Very high	37 Å²	37	60.9 Å²	60.9	17%	0.173	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	126	161.3	-179.8	-176.4	-19.5	0	0	107.7	L528 K529 I531 I549	L528-Q541 HydrophobicContact CB-CG 4.49Å; L528-Q541 WeakPolarHBondContact CB-O 3.45Å; L528-Q541 HydrophobicContact CD1-CG 4.25Å; L528-Q541 PolarHBondContact N-O 3.44Å; K529-Q541 HydrophobicContact CG-CB 4.16Å; K529-Q541 PolarHBondContact N-O 3.07Å; K529-Q541 PolarHBondContact O-N 3.45Å; I531-Q541 HydrophobicContact CD1-CB 4.42Å; I531-Q541 HydrophobicContact CG2-CB 3.69Å; Q541-I549 HydrophobicContact CG-CD1 4.02Å; Q541-I549 HydrophobicContact CG-CG1 4.11Å; Q541-I549 VanDerWaalsContact NE2-CD1 3.32Å
542	V	97.7	Very high	91.1	Very high	0 Å²	0	57 Å²	57	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	163.8	-174.7	-50.9	0	0	0	0	111.5	I518 Y525 S526 I527 F540 Y550 I552	I518-V542 HydrophobicContact CD1-CG1 4.49Å; Y525-V542 HydrophobicContact CD1-CG2 3.84Å; Y525-V542 HydrophobicContact CG-CG2 4.2Å; S526-V542 CarbonylContact O-C 3.52Å; S526-V542 VanDerWaalsContact O-CA 3.32Å; S526-V542 WeakPolarHBondContact O-CA 3.19Å; I527-V542 HydrophobicContact CG1-CG1 4.23Å; F540-V542 HydrophobicContact CB-CG1 3.86Å; V542-Y550 PolarHBondContact N-O 3.13Å; V542-Y550 PolarHBondContact O-N 3.03Å; V542-I552 HydrophobicContact CG1-CB 4.3Å; V542-I552 HydrophobicContact CG1-CD1 4.17Å; V542-I552 HydrophobicContact CG1-CG1 4.25Å; V542-I552 HydrophobicContact CG2-CD1 3.81Å; V542-I552 HydrophobicContact CG2-CG1 3.82Å
543	L	97.8	Very high	91.7	Very high	35 Å²	35	57.5 Å²	57.5	18%	0.183	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	139.7	165.2	-61	-179.1	0	0	0	110.4	Y525 S526 L528 K547 Q548 I549	Y525-L543 CarbonylContact C-O 3.54Å; Y525-L543 VanDerWaalsContact CA-O 3.27Å; Y525-L543 WeakPolarHBondContact CA-O 3.45Å; S526-L543 PolarHBondContact N-O 3.03Å; S526-L543 PolarHBondContact O-N 3Å; S526-L543 PolarHBondContact OG-O 3.28Å; L528-L543 HydrophobicContact CD1-CD1 4.18Å; L528-L543 HydrophobicContact CD1-CD2 3.91Å; L528-L543 HydrophobicContact CD1-CG 3.73Å; L528-L543 HydrophobicContact CD2-CD1 4Å; L528-L543 HydrophobicContact CD2-CG 4.1Å; L528-L543 HydrophobicContact CG-CD1 4.4Å; L528-L543 HydrophobicContact CG-CG 3.97Å; L543-K547 HydrophobicContact CB-CD 4.49Å; L543-K547 HydrophobicContact CD1-CB 4.49Å; L543-K547 HydrophobicContact CD1-CD 4.06Å; L543-Q548 WeakPolarHBondContact CA-O 3.31Å; L543-I549 HydrophobicContact CD2-CB 4.15Å
544	N	96.3	Very high	92.3	Very high	24 Å²	24	55.1 Å²	55.1	13%	0.128	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	176.7	164.8	76.6	-3.1	0	0	0	111.5	Y525 K546 K547 Q548 Y550	Y525-N544 HydrophobicContact CD1-CB 3.94Å; Y525-N544 HydrophobicContact CE1-CB 3.9Å; N544-K546 PolarHBondContact O-N 3.49Å; N544-K546 VanDerWaalsContact OD1-C 3.3Å; N544-K546 WeakPolarHBondContact OD1-CA 3.27Å; N544-K546 WeakPolarHBondContact OD1-CB 3.47Å; N544-K546 PolarHBondContact OD1-N 3.38Å; N544-K547 WeakPolarHBondContact O-CA 3.28Å; N544-K547 PolarHBondContact O-N 3.02Å; N544-K547 PolarHBondContact OD1-N 2.92Å; N544-K547 VanDerWaalsContact OD1-N 3.09Å; N544-Q548 PolarHBondContact N-O 2.92Å; N544-Q548 PolarHBondContact ND2-OE1 2.76Å; N544-Q548 WeakPolarHBondContact OD1-CB 3.25Å; N544-Q548 PolarHBondContact OD1-N 3.09Å; N544-Y550 HydrophobicContact CB-CD2 4.26Å; N544-Y550 HydrophobicContact CB-CE2 3.92Å
545	E	94.1	Very high	93.4	Very high	129 Å²	129	53.3 Å²	53.3	60%	0.603	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.6	-41.3	173.5	-67.7	159	-151.5	0	0	113.3	K547	E545-K547 PolarHBondContact O-N 2.84Å
546	K	96.1	Very high	94.3	Very high	170 Å²	170	52 Å²	52	74%	0.739	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	7.5	178.8	-58.7	-178	-179.7	179.5	0	114.1	N544 Q548	N544-K546 PolarHBondContact O-N 3.49Å; N544-K546 VanDerWaalsContact OD1-C 3.3Å; N544-K546 WeakPolarHBondContact OD1-CA 3.27Å; N544-K546 WeakPolarHBondContact OD1-CB 3.47Å; N544-K546 PolarHBondContact OD1-N 3.38Å; K546-Q548 HydrophobicContact CB-CG 4.17Å; K546-Q548 PolarHBondContact O-N 3.44Å
547	K	95.5	Very high	94.7	Very high	139 Å²	139	49.9 Å²	49.9	60%	0.604	24%	0.235	S	C	*	.			trans	58.8	25.3	-177.2	-50	-55.2	175.3	-171.3	0	114.7	L543 N544 E545	L543-K547 HydrophobicContact CB-CD 4.49Å; L543-K547 HydrophobicContact CD1-CB 4.49Å; L543-K547 HydrophobicContact CD1-CD 4.06Å; N544-K547 WeakPolarHBondContact O-CA 3.28Å; N544-K547 PolarHBondContact O-N 3.02Å; N544-K547 PolarHBondContact OD1-N 2.92Å; N544-K547 VanDerWaalsContact OD1-N 3.09Å; E545-K547 PolarHBondContact O-N 2.84Å
548	Q	96.4	Very high	94.8	Very high	93 Å²	93	55.7 Å²	55.7	44%	0.435	26%	0.26	S	S	.	.			trans	-81.3	140.7	168.8	-56.6	171.4	-82.5	0	0	109.5	L543 N544 K546 Y550	L543-Q548 WeakPolarHBondContact CA-O 3.31Å; N544-Q548 PolarHBondContact N-O 2.92Å; N544-Q548 PolarHBondContact ND2-OE1 2.76Å; N544-Q548 WeakPolarHBondContact OD1-CB 3.25Å; N544-Q548 PolarHBondContact OD1-N 3.09Å; K546-Q548 HydrophobicContact CB-CG 4.17Å; K546-Q548 PolarHBondContact O-N 3.44Å; Q548-Y550 HydrophobicContact CB-CE2 3.78Å; Q548-Y550 WeakPolarHBondContact O-CD2 3.36Å
549	I	97.1	Very high	94.4	Very high	83 Å²	83	60.4 Å²	60.4	43%	0.426	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	135.5	-174.7	-171.1	178.3	0	0	0	112.3	Q541 L543 C604	Q541-I549 HydrophobicContact CG-CD1 4.02Å; Q541-I549 HydrophobicContact CG-CG1 4.11Å; Q541-I549 VanDerWaalsContact NE2-CD1 3.32Å; L543-I549 HydrophobicContact CD2-CB 4.15Å; I549-C604 HydrophobicContact CD1-CB 4.02Å; I549-C604 HydrophobicContact CG1-CB 3.79Å
550	Y	98	Very high	93.8	Very high	33 Å²	33	60 Å²	60	13%	0.129	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	161	175	-61.9	-85.1	0	0	0	111.1	Y525 V542 N544 Q548 Y589 V601 M602	Y525-Y550 HydrophobicContact CD1-CD2 4.33Å; Y525-Y550 HydrophobicContact CE1-CD2 4.02Å; Y525-Y550 HydrophobicContact CE1-CE2 4.42Å; Y525-Y550 HydrophobicContact CE1-CG 4.44Å; V542-Y550 PolarHBondContact N-O 3.13Å; V542-Y550 PolarHBondContact O-N 3.03Å; N544-Y550 HydrophobicContact CB-CD2 4.26Å; N544-Y550 HydrophobicContact CB-CE2 3.92Å; Q548-Y550 HydrophobicContact CB-CE2 3.78Å; Q548-Y550 WeakPolarHBondContact O-CD2 3.36Å; Y550-Y589 AromaticContact CD1-CD2 3.56Å; Y550-Y589 HydrophobicContact CD1-CD2 3.56Å; Y550-Y589 AromaticContact CD1-CE2 3.66Å; Y550-Y589 HydrophobicContact CD1-CE2 3.66Å; Y550-Y589 HydrophobicContact CD1-CG 4.45Å; Y550-Y589 AromaticContact CE1-CD2 3.52Å; Y550-Y589 HydrophobicContact CE1-CD2 3.52Å; Y550-Y589 AromaticContact CE1-CE2 3.57Å; Y550-Y589 HydrophobicContact CE1-CE2 3.57Å; Y550-Y589 HydrophobicContact CE1-CG 4.07Å; Y550-V601 HydrophobicContact CD1-CG1 3.9Å; Y550-V601 HydrophobicContact CG-CG1 4.04Å; Y550-M602 WeakPolarHBondContact CA-O 3.45Å
551	A	97.7	Very high	93.2	Very high	5 Å²	5	63 Å²	63	4%	0.041	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	123.5	164.9	0	0	0	0	0	108.9	I531 V539 F540 M602 C604	I531-A551 HydrophobicContact CD1-CB 4.32Å; V539-A551 HydrophobicContact CG1-CB 4.33Å; F540-A551 CarbonylContact O-C 3.53Å; F540-A551 VanDerWaalsContact O-CA 3.31Å; F540-A551 WeakPolarHBondContact O-CA 3.4Å; A551-M602 PolarHBondContact N-O 2.98Å; A551-M602 WeakPolarHBondContact O-CA 3.43Å; A551-M602 PolarHBondContact O-N 2.96Å; A551-C604 HydrophobicContact CB-CB 4.32Å
552	I	97.7	Very high	92.5	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	115.3	171	-69.3	-177.7	0	0	0	109.2	I518 V520 Y525 V539 F540 V542 Y599 M600 V601	I518-I552 HydrophobicContact CB-CD1 4.3Å; I518-I552 HydrophobicContact CD1-CB 4.3Å; I518-I552 HydrophobicContact CD1-CD1 4.32Å; I518-I552 HydrophobicContact CD1-CG2 3.94Å; I518-I552 HydrophobicContact CG2-CD1 4.24Å; V520-I552 HydrophobicContact CG2-CD1 4.07Å; Y525-I552 HydrophobicContact CD1-CD1 4.15Å; Y525-I552 HydrophobicContact CD2-CD1 3.84Å; Y525-I552 HydrophobicContact CE2-CD1 4.45Å; Y525-I552 HydrophobicContact CG-CD1 3.68Å; V539-I552 CarbonylContact C-O 3.56Å; V539-I552 WeakPolarHBondContact CA-O 3.48Å; F540-I552 PolarHBondContact N-O 2.89Å; F540-I552 PolarHBondContact O-N 3.29Å; V542-I552 HydrophobicContact CG1-CB 4.3Å; V542-I552 HydrophobicContact CG1-CD1 4.17Å; V542-I552 HydrophobicContact CG1-CG1 4.25Å; V542-I552 HydrophobicContact CG2-CD1 3.81Å; V542-I552 HydrophobicContact CG2-CG1 3.82Å; I552-Y599 HydrophobicContact CG2-CD1 3.58Å; I552-Y599 HydrophobicContact CG2-CE1 4.27Å; I552-Y599 HydrophobicContact CG2-CG 4.48Å; I552-M600 VanDerWaalsContact CA-O 3.3Å; I552-M600 WeakPolarHBondContact CA-O 3.26Å; I552-V601 HydrophobicContact CD1-CG2 4.23Å; I552-V601 HydrophobicContact CG1-CG2 4.17Å
553	K	95.3	Very high	91.7	Very high	37 Å²	37	70.9 Å²	70.9	16%	0.161	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	115.8	167.1	175.4	174.9	167	-169.9	0	108.4	K538 V539 V555 E571 Y599 M600 M602	K538-K553 CarbonylContact O-C 3.53Å; K538-K553 WeakPolarHBondContact O-CA 3.4Å; V539-K553 HydrophobicContact CG2-CB 4.17Å; V539-K553 HydrophobicContact CG2-CG 4.21Å; K553-V555 HydrophobicContact CG-CG2 4.37Å; K553-E571 IonicContact NZ-OE2 3.66Å; K553-Y599 CarbonylContact O-C 3.59Å; K553-Y599 WeakPolarHBondContact O-CA 3.48Å; K553-M600 HydrophobicContact CB-CB 4.44Å; K553-M600 HydrophobicContact CB-CE 4.19Å; K553-M600 HydrophobicContact CD-CE 3.55Å; K553-M600 HydrophobicContact CG-CE 3.76Å; K553-M600 PolarHBondContact N-O 3.25Å; K553-M600 PolarHBondContact O-N 2.63Å; K553-M602 HydrophobicContact CB-CE 3.54Å; K553-M602 HydrophobicContact CD-CE 4.45Å
554	F	94.3	Very high	90.9	Very high	37 Å²	37	70.3 Å²	70.3	16%	0.162	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	142.4	168.4	170.8	-104	0	0	0	109.4	S537 K538 F540 N556 Y597 I598 Y599	S537-F554 CarbonylContact C-O 3.5Å; S537-F554 VanDerWaalsContact CA-O 3.29Å; S537-F554 WeakPolarHBondContact CA-O 3.36Å; K538-F554 HydrophobicContact CB-CB 4.48Å; K538-F554 HydrophobicContact CB-CD1 4.38Å; K538-F554 HydrophobicContact CD-CD1 4.47Å; K538-F554 PolarHBondContact N-O 2.81Å; K538-F554 PolarHBondContact O-N 3.3Å; K538-F554 VanDerWaalsContact O-O 3.11Å; F540-F554 HydrophobicContact CE2-CB 4.03Å; F554-N556 HydrophobicContact CE1-CB 4.01Å; F554-N556 HydrophobicContact CZ-CB 4.1Å; F554-Y597 HydrophobicContact CE2-CG 4.28Å; F554-I598 CarbonylContact C-O 3.59Å; F554-I598 VanDerWaalsContact CA-O 3.28Å; F554-I598 WeakPolarHBondContact CA-O 3.47Å; F554-Y599 HydrophobicContact CB-CD1 4.03Å; F554-Y599 HydrophobicContact CB-CE1 3.83Å; F554-Y599 AromaticContact CD2-CD1 3.92Å; F554-Y599 HydrophobicContact CD2-CD1 3.92Å; F554-Y599 AromaticContact CD2-CE1 3.38Å; F554-Y599 HydrophobicContact CD2-CE1 3.38Å; F554-Y599 HydrophobicContact CD2-CE2 4.3Å; F554-Y599 AromaticContact CD2-CZ 3.59Å; F554-Y599 HydrophobicContact CE2-CE1 4.31Å; F554-Y599 HydrophobicContact CG-CD1 4.48Å; F554-Y599 AromaticContact CG-CE1 4Å; F554-Y599 HydrophobicContact CG-CE1 4Å
555	V	91.9	Very high	90.3	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	125.7	169.6	-169.6	0	0	0	0	108	K553 L557 Y568 Y597 I598 M600	K553-V555 HydrophobicContact CG-CG2 4.37Å; V555-L557 HydrophobicContact CG1-CD2 4.13Å; V555-Y568 HydrophobicContact CG1-CD2 4.35Å; V555-Y568 HydrophobicContact CG1-CE1 4.27Å; V555-Y568 HydrophobicContact CG1-CE2 3.67Å; V555-Y597 CarbonylContact O-C 3.6Å; V555-Y597 VanDerWaalsContact O-CA 3.22Å; V555-Y597 WeakPolarHBondContact O-CA 3.27Å; V555-Y597 WeakPolarHBondContact O-CB 3.39Å; V555-I598 HydrophobicContact CB-CB 4.07Å; V555-I598 HydrophobicContact CB-CG1 4.43Å; V555-I598 HydrophobicContact CG2-CB 4.24Å; V555-I598 PolarHBondContact N-O 3.25Å; V555-I598 PolarHBondContact O-N 2.91Å; V555-M600 HydrophobicContact CG2-CE 4.24Å
556	N	90.2	Very high	89.8	Confident	45 Å²	45	67.5 Å²	67.5	24%	0.241	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	135.1	167	-167.9	-1.2	0	0	0	110	S536 F554 E558 Q596	S536-N556 VanDerWaalsContact CB-O 3.3Å; S536-N556 WeakPolarHBondContact CB-O 3.49Å; S536-N556 PolarHBondContact O-N 3.37Å; F554-N556 HydrophobicContact CE1-CB 4.01Å; F554-N556 HydrophobicContact CZ-CB 4.1Å; N556-E558 PolarHBondContact ND2-OE2 3.23Å; N556-E558 WeakPolarHBondContact OD1-CB 3.29Å; N556-E558 WeakPolarHBondContact OD1-CG 3.48Å; N556-E558 PolarHBondContact OD1-N 2.97Å; N556-E558 PolarHBondContact OD1-OE2 2.78Å; N556-Q596 PolarHBondContact OD1-O 2.77Å; N556-Q596 VanDerWaalsContact OD1-O 3.13Å
557	L	88.9	Confident	89.3	Confident	6 Å²	6	59.5 Å²	59.5	3%	0.031	29%	0.294	C	S	.	.			trans	-113.5	-3.4	178.4	-59.1	177.4	0	0	0	113.6	V555 E559 A560 L565 Y568 T594 Q596 I598	V555-L557 HydrophobicContact CG1-CD2 4.13Å; L557-E559 PolarHBondContact O-N 2.88Å; L557-E559 VanDerWaalsContact O-N 3.09Å; L557-A560 HydrophobicContact CB-CB 4.29Å; L557-A560 HydrophobicContact CD2-CB 4.09Å; L557-A560 WeakPolarHBondContact O-CB 3.48Å; L557-A560 PolarHBondContact O-N 3.33Å; L557-L565 HydrophobicContact CB-CD2 4.06Å; L557-L565 HydrophobicContact CD1-CD2 3.54Å; L557-L565 HydrophobicContact CD2-CD2 3.83Å; L557-L565 HydrophobicContact CG-CD2 4.01Å; L557-Y568 HydrophobicContact CD2-CD2 3.97Å; L557-Y568 HydrophobicContact CD2-CE2 4.22Å; L557-T594 WeakPolarHBondContact CD1-O 3.39Å; L557-Q596 PolarHBondContact N-O 2.96Å; L557-I598 HydrophobicContact CD1-CD1 4.17Å; L557-I598 HydrophobicContact CD1-CG1 3.63Å; L557-I598 HydrophobicContact CD2-CD1 4.21Å; L557-I598 HydrophobicContact CD2-CG1 4.24Å; L557-I598 HydrophobicContact CG-CG1 4.12Å
558	E	87.2	Confident	89	Confident	144 Å²	144	54.2 Å²	54.2	67%	0.673	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-29.6	-179.4	-69.5	168.5	151.7	0	0	114.2	N556	N556-E558 PolarHBondContact ND2-OE2 3.23Å; N556-E558 WeakPolarHBondContact OD1-CB 3.29Å; N556-E558 WeakPolarHBondContact OD1-CG 3.48Å; N556-E558 PolarHBondContact OD1-N 2.97Å; N556-E558 PolarHBondContact OD1-OE2 2.78Å
559	E	83.6	Confident	88.5	Confident	195 Å²	195	54.3 Å²	54.3	91%	0.911	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	8.9	177.2	-60.2	-174.9	158.1	0	0	113.1	L557	L557-E559 PolarHBondContact O-N 2.88Å; L557-E559 VanDerWaalsContact O-N 3.09Å
560	A	81.7	Confident	88.1	Confident	27 Å²	27	54.1 Å²	54.1	22%	0.223	27%	0.267	C	S	.	.			trans	-85.8	136.4	-176.7	0	0	0	0	0	112.1	L557 T564 L565	L557-A560 HydrophobicContact CB-CB 4.29Å; L557-A560 HydrophobicContact CD2-CB 4.09Å; L557-A560 WeakPolarHBondContact O-CB 3.48Å; L557-A560 PolarHBondContact O-N 3.33Å; A560-T564 HydrophobicContact CB-CG2 4.09Å; A560-L565 HydrophobicContact CB-CD2 4.5Å; A560-L565 HydrophobicContact CB-CG 4.2Å
561	D	83.6	Confident	87.8	Confident	84 Å²	84	53.1 Å²	53.1	45%	0.449	26%	0.263	S	S	.	.			trans	-82	166.3	171.4	76.5	-26.2	0	0	0	111.9	Q563 T564 L565	D561-Q563 PolarHBondContact O-N 2.95Å; D561-T564 PolarHBondContact O-N 3.4Å; D561-T564 VanDerWaalsContact O-N 3.11Å; D561-T564 WeakPolarHBondContact OD1-CB 3.49Å; D561-T564 PolarHBondContact OD1-N 3.12Å; D561-T564 PolarHBondContact OD1-OG1 3.17Å; D561-L565 WeakPolarHBondContact O-CG 3.33Å; D561-L565 PolarHBondContact O-N 2.95Å
562	N	81.6	Confident	87.6	Confident	124 Å²	124	53.1 Å²	53.1	66%	0.663	26%	0.263	S	S	*	.	H	α-helix	trans	-57	-33.7	-179.6	-69.4	-32.4	0	0	0	112.6	L565 D566	N562-L565 PolarHBondContact O-N 2.98Å; N562-D566 WeakPolarHBondContact O-CB 3.49Å; N562-D566 PolarHBondContact O-N 3.38Å
563	Q	80.1	Confident	87.4	Confident	79 Å²	79	55.9 Å²	55.9	37%	0.369	29%	0.285	S	S	.	.	H	α-helix	trans	-68.7	-43.8	177.6	-170.4	175.4	-65.3	0	0	111.7	D561 S567 M671	D561-Q563 PolarHBondContact O-N 2.95Å; Q563-S567 WeakPolarHBondContact O-CB 3.33Å; Q563-S567 PolarHBondContact O-N 2.96Å; Q563-M671 HydrophobicContact CG-CB 4.28Å; Q563-M671 HydrophobicContact CG-CE 4.04Å; Q563-M671 HydrophobicContact CG-SD 3.64Å; Q563-M671 PolarHBondContact NE2-O 3.19Å
564	T	81.5	Confident	87.3	Confident	22 Å²	22	57.9 Å²	57.9	14%	0.135	29%	0.292	C	S	.	.	H	α-helix	trans	-63.7	-43.5	173.3	-61	0	0	0	0	111.1	A560 D561 S567 Y568	A560-T564 HydrophobicContact CB-CG2 4.09Å; D561-T564 PolarHBondContact O-N 3.4Å; D561-T564 VanDerWaalsContact O-N 3.11Å; D561-T564 WeakPolarHBondContact OD1-CB 3.49Å; D561-T564 PolarHBondContact OD1-N 3.12Å; D561-T564 PolarHBondContact OD1-OG1 3.17Å; T564-S567 PolarHBondContact O-N 3.32Å; T564-S567 PolarHBondContact O-OG 3.27Å; T564-Y568 HydrophobicContact CG2-CD2 3.9Å; T564-Y568 HydrophobicContact CG2-CE2 3.51Å; T564-Y568 WeakPolarHBondContact O-CD2 3.05Å; T564-Y568 PolarHBondContact O-N 2.86Å
565	L	83.6	Confident	87.4	Confident	20 Å²	20	56.5 Å²	56.5	11%	0.105	29%	0.287	C	S	.	.	H	α-helix	trans	-57	-50.7	175.9	-77.1	165	0	0	0	112.1	L557 A560 D561 N562 S567 Y568 R569	L557-L565 HydrophobicContact CB-CD2 4.06Å; L557-L565 HydrophobicContact CD1-CD2 3.54Å; L557-L565 HydrophobicContact CD2-CD2 3.83Å; L557-L565 HydrophobicContact CG-CD2 4.01Å; A560-L565 HydrophobicContact CB-CD2 4.5Å; A560-L565 HydrophobicContact CB-CG 4.2Å; D561-L565 WeakPolarHBondContact O-CG 3.33Å; D561-L565 PolarHBondContact O-N 2.95Å; N562-L565 PolarHBondContact O-N 2.98Å; L565-S567 VanDerWaalsContact C-N 3.31Å; L565-S567 PolarHBondContact O-N 3.35Å; L565-Y568 PolarHBondContact O-N 2.81Å; L565-R569 VanDerWaalsContact O-CG 3.32Å; L565-R569 WeakPolarHBondContact O-CG 3.2Å; L565-R569 PolarHBondContact O-N 3.47Å
566	D	84.8	Confident	87.5	Confident	75 Å²	75	60 Å²	60	40%	0.401	31%	0.305	S	S	.	.	H	α-helix	trans	-69.2	-29	178.7	-73	-16.7	0	0	0	112.3	N562 R569 N570	N562-D566 WeakPolarHBondContact O-CB 3.49Å; N562-D566 PolarHBondContact O-N 3.38Å; D566-R569 PolarHBondContact O-N 2.7Å; D566-R569 WeakPolarHBondContact OD1-CD 3.49Å; D566-R569 IonicContact OD1-CZ 3.73Å; D566-R569 IonicContact OD1-NE 2.71Å; D566-R569 IonicContact OD1-NH1 2.74Å; D566-R569 PolarHBondContact OD1-NH1 3.38Å; D566-N570 WeakPolarHBondContact O-CB 3.35Å; D566-N570 PolarHBondContact O-N 3.36Å; D566-N570 PolarHBondContact O-ND2 3.36Å
567	S	84.9	Confident	87.7	Confident	2 Å²	2	63.2 Å²	63.2	1%	0.014	32%	0.317	C	S	.	.	H	α-helix	trans	-64.3	-42.7	172.4	82.3	0	0	0	0	112.5	Q563 T564 L565 E571 A668	Q563-S567 WeakPolarHBondContact O-CB 3.33Å; Q563-S567 PolarHBondContact O-N 2.96Å; T564-S567 PolarHBondContact O-N 3.32Å; T564-S567 PolarHBondContact O-OG 3.27Å; L565-S567 VanDerWaalsContact C-N 3.31Å; L565-S567 PolarHBondContact O-N 3.35Å; S567-E571 PolarHBondContact O-N 3.07Å; S567-A668 WeakPolarHBondContact OG-CA 3.04Å
568	Y	87.9	Confident	88	Confident	27 Å²	27	62.9 Å²	62.9	11%	0.106	32%	0.316	C	S	.	.	H	α-helix	trans	-67.6	-42.6	173.5	-74	-55.2	0	0	0	112.2	V555 L557 T564 L565 N570 E571 I572 I598 A668	V555-Y568 HydrophobicContact CG1-CD2 4.35Å; V555-Y568 HydrophobicContact CG1-CE1 4.27Å; V555-Y568 HydrophobicContact CG1-CE2 3.67Å; L557-Y568 HydrophobicContact CD2-CD2 3.97Å; L557-Y568 HydrophobicContact CD2-CE2 4.22Å; T564-Y568 HydrophobicContact CG2-CD2 3.9Å; T564-Y568 HydrophobicContact CG2-CE2 3.51Å; T564-Y568 WeakPolarHBondContact O-CD2 3.05Å; T564-Y568 PolarHBondContact O-N 2.86Å; L565-Y568 PolarHBondContact O-N 2.81Å; Y568-N570 VanDerWaalsContact C-N 3.31Å; Y568-N570 PolarHBondContact O-N 3.18Å; Y568-E571 PolarHBondContact O-N 3.31Å; Y568-I572 VanDerWaalsContact O-CG1 3.32Å; Y568-I572 WeakPolarHBondContact O-CG1 3.32Å; Y568-I572 PolarHBondContact O-N 3.49Å; Y568-I598 HydrophobicContact CD2-CD1 4.35Å; Y568-I598 HydrophobicContact CG-CD1 4.01Å; Y568-A668 HydrophobicContact CD1-CB 3.59Å; Y568-A668 HydrophobicContact CE1-CB 3.63Å; Y568-A668 HydrophobicContact CG-CB 4.39Å
569	R	87.4	Confident	88.4	Confident	95 Å²	95	57.2 Å²	57.2	36%	0.358	29%	0.289	S	S	.	.	H	α-helix	trans	-58.3	-43.8	176.1	-71.4	164.6	179.9	153.9	0.1	111.2	L565 D566 A573	L565-R569 VanDerWaalsContact O-CG 3.32Å; L565-R569 WeakPolarHBondContact O-CG 3.2Å; L565-R569 PolarHBondContact O-N 3.47Å; D566-R569 PolarHBondContact O-N 2.7Å; D566-R569 WeakPolarHBondContact OD1-CD 3.49Å; D566-R569 IonicContact OD1-CZ 3.73Å; D566-R569 IonicContact OD1-NE 2.71Å; D566-R569 IonicContact OD1-NH1 2.74Å; D566-R569 PolarHBondContact OD1-NH1 3.38Å; R569-A573 VanDerWaalsContact O-CB 3.32Å; R569-A573 WeakPolarHBondContact O-CB 3.39Å; R569-A573 PolarHBondContact O-N 2.92Å
570	N	88.5	Confident	88.9	Confident	80 Å²	80	55.8 Å²	55.8	43%	0.428	28%	0.282	S	S	.	.	H	α-helix	trans	-64.6	-45.7	175.5	-80.7	-64.8	0	0	0	112.2	D566 Y568 I572 A573 Y574 I667	D566-N570 WeakPolarHBondContact O-CB 3.35Å; D566-N570 PolarHBondContact O-N 3.36Å; D566-N570 PolarHBondContact O-ND2 3.36Å; Y568-N570 VanDerWaalsContact C-N 3.31Å; Y568-N570 PolarHBondContact O-N 3.18Å; N570-I572 VanDerWaalsContact C-N 3.34Å; N570-I572 PolarHBondContact O-N 2.94Å; N570-A573 PolarHBondContact O-N 3.44Å; N570-Y574 VanDerWaalsContact O-CD2 3.25Å; N570-Y574 WeakPolarHBondContact O-CD2 3.44Å; N570-Y574 PolarHBondContact O-N 2.86Å; N570-I667 HydrophobicContact CB-CG2 4.09Å
571	E	91.2	Very high	89.6	Confident	12 Å²	12	58.2 Å²	58.2	6%	0.056	29%	0.289	C	S	.	.	H	α-helix	trans	-59	-43.6	177.5	-174	162.7	-109.6	0	0	111.8	K553 S567 Y568 Y574 L575 F665 I667	K553-E571 IonicContact NZ-OE2 3.66Å; S567-E571 PolarHBondContact O-N 3.07Å; Y568-E571 PolarHBondContact O-N 3.31Å; E571-Y574 PolarHBondContact O-N 3.3Å; E571-L575 VanDerWaalsContact O-CB 3.23Å; E571-L575 WeakPolarHBondContact O-CB 3.47Å; E571-L575 PolarHBondContact O-N 3.43Å; E571-F665 PolarHBondContact OE1-N 2.94Å; E571-I667 HydrophobicContact CB-CB 4.28Å
572	I	92.8	Very high	90.2	Very high	5 Å²	5	54.9 Å²	54.9	3%	0.026	27%	0.272	C	S	.	.	H	α-helix	trans	-66.8	-42.3	177.2	-64.8	164.2	0	0	0	111.6	Y568 N570 Y574 L575 N576 L588 Y591 I593 I598 M600	Y568-I572 VanDerWaalsContact O-CG1 3.32Å; Y568-I572 WeakPolarHBondContact O-CG1 3.32Å; Y568-I572 PolarHBondContact O-N 3.49Å; N570-I572 VanDerWaalsContact C-N 3.34Å; N570-I572 PolarHBondContact O-N 2.94Å; I572-Y574 PolarHBondContact O-N 2.86Å; I572-L575 PolarHBondContact O-N 3.07Å; I572-N576 WeakPolarHBondContact O-CB 3.45Å; I572-N576 PolarHBondContact O-N 3.31Å; I572-L588 HydrophobicContact CG2-CD2 4.45Å; I572-Y591 HydrophobicContact CG2-CD1 4.16Å; I572-Y591 HydrophobicContact CG2-CD2 3.87Å; I572-Y591 HydrophobicContact CG2-CE1 4.27Å; I572-Y591 HydrophobicContact CG2-CE2 3.99Å; I572-Y591 HydrophobicContact CG2-CG 3.95Å; I572-I593 HydrophobicContact CD1-CD1 3.84Å; I572-I593 HydrophobicContact CD1-CG1 4.2Å; I572-I593 HydrophobicContact CG2-CD1 4.44Å; I572-I598 HydrophobicContact CD1-CD1 3.93Å; I572-I598 HydrophobicContact CD1-CG2 3.71Å; I572-M600 HydrophobicContact CD1-CG 4.45Å; I572-M600 HydrophobicContact CD1-SD 4.06Å; I572-M600 HydrophobicContact CG1-CG 4.47Å; I572-M600 HydrophobicContact CG1-SD 3.7Å
573	A	93.4	Very high	91	Very high	58 Å²	58	52.1 Å²	52.1	48%	0.479	26%	0.257	S	S	.	.	H	α-helix	trans	-61.1	-43.9	178	0	0	0	0	0	111.8	R569 N570 K577	R569-A573 VanDerWaalsContact O-CB 3.32Å; R569-A573 WeakPolarHBondContact O-CB 3.39Å; R569-A573 PolarHBondContact O-N 2.92Å; N570-A573 PolarHBondContact O-N 3.44Å; A573-K577 VanDerWaalsContact O-CB 3.3Å; A573-K577 WeakPolarHBondContact O-CB 3.27Å; A573-K577 PolarHBondContact O-N 3.21Å
574	Y	94.3	Very high	91.8	Very high	78 Å²	78	49.2 Å²	49.2	31%	0.306	24%	0.243	S	C	.	.	H	α-helix	trans	-68	-42.1	172.7	-78.3	-68.1	0	0	0	112.1	N570 E571 I572 N576 K577 L578 I643 I667	N570-Y574 VanDerWaalsContact O-CD2 3.25Å; N570-Y574 WeakPolarHBondContact O-CD2 3.44Å; N570-Y574 PolarHBondContact O-N 2.86Å; E571-Y574 PolarHBondContact O-N 3.3Å; I572-Y574 PolarHBondContact O-N 2.86Å; Y574-N576 VanDerWaalsContact C-N 3.28Å; Y574-N576 PolarHBondContact O-N 3.11Å; Y574-K577 PolarHBondContact O-N 2.85Å; Y574-K577 VanDerWaalsContact O-N 3.15Å; Y574-L578 WeakPolarHBondContact O-CB 3.31Å; Y574-L578 VanDerWaalsContact O-CG 3.31Å; Y574-L578 WeakPolarHBondContact O-CG 3.49Å; Y574-L578 PolarHBondContact O-N 3.45Å; Y574-I643 HydrophobicContact CD1-CD1 3.64Å; Y574-I643 HydrophobicContact CD1-CG1 4.26Å; Y574-I643 HydrophobicContact CD2-CD1 4.31Å; Y574-I643 HydrophobicContact CE1-CD1 4.14Å; Y574-I643 HydrophobicContact CE1-CG1 4.24Å; Y574-I643 HydrophobicContact CG-CD1 3.74Å; Y574-I667 HydrophobicContact CD2-CD1 3.7Å; Y574-I667 HydrophobicContact CE2-CD1 4.3Å; Y574-I667 HydrophobicContact CG-CD1 4.44Å
575	L	95.1	Very high	92.6	Very high	8 Å²	8	48.1 Å²	48.1	4%	0.042	24%	0.237	C	C	.	.	H	α-helix	trans	-64.2	-36.1	-177.2	-179.4	59.5	0	0	0	111.7	E571 I572 Q579 I585 I586 L588 F665	E571-L575 VanDerWaalsContact O-CB 3.23Å; E571-L575 WeakPolarHBondContact O-CB 3.47Å; E571-L575 PolarHBondContact O-N 3.43Å; I572-L575 PolarHBondContact O-N 3.07Å; L575-Q579 WeakPolarHBondContact O-CG 3.47Å; L575-Q579 PolarHBondContact O-NE2 3.01Å; L575-I585 HydrophobicContact CD1-CG2 3.61Å; L575-I586 HydrophobicContact CD1-CG2 3.92Å; L575-I586 HydrophobicContact CD2-CG2 4.43Å; L575-L588 HydrophobicContact CB-CD2 4.47Å; L575-L588 HydrophobicContact CD2-CB 4.24Å; L575-L588 HydrophobicContact CD2-CD2 4.2Å; L575-L588 HydrophobicContact CG-CB 4.12Å; L575-L588 HydrophobicContact CG-CD2 4.13Å; L575-F665 HydrophobicContact CB-CE2 4Å; L575-F665 HydrophobicContact CB-CZ 4.38Å; L575-F665 HydrophobicContact CD1-CE2 4.32Å; L575-F665 HydrophobicContact CD1-CZ 3.84Å
576	N	94.4	Very high	93.3	Very high	74 Å²	74	47.3 Å²	47.3	40%	0.396	23%	0.233	S	C	.	.	H	α-helix	trans	-67.9	-49.7	170.8	-167.3	9.5	0	0	0	111.2	I572 Y574 L578 Q579 L588	I572-N576 WeakPolarHBondContact O-CB 3.45Å; I572-N576 PolarHBondContact O-N 3.31Å; Y574-N576 VanDerWaalsContact C-N 3.28Å; Y574-N576 PolarHBondContact O-N 3.11Å; N576-L578 VanDerWaalsContact C-N 3.28Å; N576-L578 PolarHBondContact O-N 3.38Å; N576-Q579 WeakPolarHBondContact O-CB 3.22Å; N576-Q579 WeakPolarHBondContact O-CG 3.27Å; N576-Q579 PolarHBondContact O-N 3.11Å; N576-L588 HydrophobicContact CB-CD2 4.28Å
577	K	94.6	Very high	93.9	Very high	112 Å²	112	47.6 Å²	47.6	49%	0.487	23%	0.228	S	C	.	.	H	α-helix	trans	-57.5	-35.9	178.4	-178.4	178.5	177.2	-178.7	0	113.4	A573 Y574 H581	A573-K577 VanDerWaalsContact O-CB 3.3Å; A573-K577 WeakPolarHBondContact O-CB 3.27Å; A573-K577 PolarHBondContact O-N 3.21Å; Y574-K577 PolarHBondContact O-N 2.85Å; Y574-K577 VanDerWaalsContact O-N 3.15Å; K577-H581 PolarHBondContact O-CE1 2.93Å; K577-H581 PolarHBondContact O-ND1 3.45Å
578	L	95.8	Very high	94.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-82.8	-8.5	-175.6	-62.4	-179.7	0	0	0	114.3	Y574 N576 Q580 H581 I585 T637 I638 H641 I643 F665	Y574-L578 WeakPolarHBondContact O-CB 3.31Å; Y574-L578 VanDerWaalsContact O-CG 3.31Å; Y574-L578 WeakPolarHBondContact O-CG 3.49Å; Y574-L578 PolarHBondContact O-N 3.45Å; N576-L578 VanDerWaalsContact C-N 3.28Å; N576-L578 PolarHBondContact O-N 3.38Å; L578-Q580 PolarHBondContact O-N 3.09Å; L578-Q580 VanDerWaalsContact O-N 3.14Å; L578-H581 PolarHBondContact O-N 3.27Å; L578-I585 HydrophobicContact CB-CG1 4.5Å; L578-T637 HydrophobicContact CD2-CG2 4.3Å; L578-I638 HydrophobicContact CD1-CG2 3.85Å; L578-H641 HydrophobicContact CD2-CB 4.17Å; L578-H641 WeakPolarHBondContact CD2-CE1 3.31Å; L578-H641 VanDerWaalsContact CD2-CG 3.45Å; L578-H641 VanDerWaalsContact CD2-ND1 3.25Å; L578-H641 WeakPolarHBondContact CD2-ND1 3.35Å; L578-I643 HydrophobicContact CD1-CD1 4.09Å; L578-F665 HydrophobicContact CB-CZ 4.46Å; L578-F665 HydrophobicContact CD1-CE1 4.39Å; L578-F665 HydrophobicContact CD1-CE2 3.74Å; L578-F665 HydrophobicContact CD1-CZ 3.64Å
579	Q	95.4	Very high	94.9	Very high	25 Å²	25	52.7 Å²	52.7	12%	0.117	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-32.7	177.2	-67.6	-55.1	-48.8	0	0	114.3	L575 N576 I586 R587	L575-Q579 WeakPolarHBondContact O-CG 3.47Å; L575-Q579 PolarHBondContact O-NE2 3.01Å; N576-Q579 WeakPolarHBondContact O-CB 3.22Å; N576-Q579 WeakPolarHBondContact O-CG 3.27Å; N576-Q579 PolarHBondContact O-N 3.11Å; Q579-I586 PolarHBondContact NE2-O 3.03Å; Q579-R587 PolarHBondContact O-NH1 2.84Å
580	Q	94.4	Very high	95.3	Very high	164 Å²	164	49.2 Å²	49.2	77%	0.766	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86	-10.8	-179.9	70.3	-179.7	26.6	0	0	113.9	L578	L578-Q580 PolarHBondContact O-N 3.09Å; L578-Q580 VanDerWaalsContact O-N 3.14Å
581	H	96.1	Very high	95.7	Very high	78 Å²	78	48.8 Å²	48.8	36%	0.361	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-29.2	-168.5	-60.9	103.1	0	0	0	113.5	K577 L578 T637 H641	K577-H581 PolarHBondContact O-CE1 2.93Å; K577-H581 PolarHBondContact O-ND1 3.45Å; L578-H581 PolarHBondContact O-N 3.27Å; H581-T637 HydrophobicContact CB-CG2 3.81Å; H581-H641 AromaticContact CD2-CE1 3.88Å; H581-H641 AromaticContact CE1-NE2 3.61Å; H581-H641 AromaticContact CG-CE1 3.78Å; H581-H641 AromaticContact ND1-CE1 3.9Å; H581-H641 AromaticContact ND1-NE2 3.85Å; H581-H641 AromaticContact NE2-NE2 3.77Å
582	S	97.2	Very high	95.9	Very high	15 Å²	15	50.2 Å²	50.2	11%	0.105	24%	0.237	C	C	.	.			trans	-155.7	143.1	176.4	178.6	0	0	0	0	112.2	K584 T637	S582-K584 VanDerWaalsContact C-N 3.29Å; S582-K584 PolarHBondContact OG-N 3.11Å; S582-K584 VanDerWaalsContact OG-N 3.1Å; S582-T637 VanDerWaalsContact CB-OG1 3.25Å; S582-T637 WeakPolarHBondContact CB-OG1 3.48Å
583	D	96.9	Very high	95.9	Very high	65 Å²	65	53 Å²	53	35%	0.348	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-10.4	171.3	67	-40.9	0	0	0	113.1	I585 K661	D583-I585 VanDerWaalsContact C-N 3.27Å; D583-K661 WeakPolarHBondContact O-CD 3.42Å; D583-K661 VanDerWaalsContact O-CE 3.23Å; D583-K661 WeakPolarHBondContact O-CE 3.24Å
584	K	98.2	Very high	95.8	Very high	18 Å²	18	52 Å²	52	8%	0.078	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	8.9	176.1	-46.5	-48.2	-177.5	-47.7	0	113.1	S582 N630 E633 A634 K661 L662	S582-K584 VanDerWaalsContact C-N 3.29Å; S582-K584 PolarHBondContact OG-N 3.11Å; S582-K584 VanDerWaalsContact OG-N 3.1Å; K584-N630 HydrophobicContact CD-CB 4.32Å; K584-N630 WeakPolarHBondContact CE-ND2 3.27Å; K584-E633 VanDerWaalsContact CE-OE2 3.31Å; K584-E633 WeakPolarHBondContact CE-OE2 3.28Å; K584-E633 HydrophobicContact CG-CB 3.93Å; K584-E633 WeakPolarHBondContact CG-OE2 3.27Å; K584-E633 IonicContact NZ-OE2 2.7Å; K584-E633 PolarHBondContact NZ-OE2 2.97Å; K584-A634 HydrophobicContact CB-CB 3.89Å; K584-A634 WeakPolarHBondContact O-CB 3.41Å; K584-K661 CarbonylContact O-C 3.55Å; K584-K661 VanDerWaalsContact O-CA 3.24Å; K584-K661 WeakPolarHBondContact O-CA 3.45Å; K584-L662 PolarHBondContact O-N 3.45Å
585	I	97.9	Very high	95.5	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-100.6	140.1	164.6	-53.7	-55.2	0	0	0	107.6	L575 L578 D583 R587 A634 I638 L662 F665	L575-I585 HydrophobicContact CD1-CG2 3.61Å; L578-I585 HydrophobicContact CB-CG1 4.5Å; D583-I585 VanDerWaalsContact C-N 3.27Å; I585-R587 PolarHBondContact O-N 2.89Å; I585-A634 HydrophobicContact CD1-CB 4.16Å; I585-I638 HydrophobicContact CD1-CG2 4.29Å; I585-L662 HydrophobicContact CD1-CB 4.21Å; I585-L662 HydrophobicContact CD1-CD2 4.27Å; I585-F665 HydrophobicContact CD1-CE1 4.2Å; I585-F665 HydrophobicContact CG2-CE1 4.1Å; I585-F665 HydrophobicContact CG2-CZ 3.84Å
586	I	97.6	Very high	95.2	Very high	3 Å²	3	58 Å²	58	2%	0.015	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-57.1	138.3	179.3	-166	64.2	0	0	0	111.1	L575 Q579 L588 E603 L654 V656 K661 L662 I663	L575-I586 HydrophobicContact CD1-CG2 3.92Å; L575-I586 HydrophobicContact CD2-CG2 4.43Å; Q579-I586 PolarHBondContact NE2-O 3.03Å; I586-L588 PolarHBondContact O-N 2.86Å; I586-E603 HydrophobicContact CD1-CB 3.96Å; I586-E603 HydrophobicContact CD1-CG 4Å; I586-E603 HydrophobicContact CG1-CB 4.49Å; I586-L654 HydrophobicContact CD1-CD2 3.77Å; I586-V656 HydrophobicContact CD1-CG2 4.3Å; I586-K661 HydrophobicContact CD1-CD 4.48Å; I586-L662 PolarHBondContact N-O 2.86Å; I586-I663 HydrophobicContact CB-CG2 4.33Å; I586-I663 HydrophobicContact CG2-CB 4.44Å
587	R	97.4	Very high	95.1	Very high	81 Å²	81	58 Å²	58	31%	0.306	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-70	122.1	175.5	-65.8	-57.5	-166.3	-176.4	-4.2	111.4	Q579 I585 Y589 M602 E603	Q579-R587 PolarHBondContact O-NH1 2.84Å; I585-R587 PolarHBondContact O-N 2.89Å; R587-Y589 HydrophobicContact CB-CE1 4.2Å; R587-Y589 HydrophobicContact CB-CE2 4.15Å; R587-M602 CarbonylContact O-C 3.58Å; R587-M602 WeakPolarHBondContact O-CA 3.34Å; R587-M602 WeakPolarHBondContact O-CB 3.39Å; R587-E603 HydrophobicContact CB-CB 3.76Å; R587-E603 HydrophobicContact CG-CB 4.47Å; R587-E603 WeakPolarHBondContact CG-OE2 3.36Å; R587-E603 PolarHBondContact N-OE2 2.55Å; R587-E603 VanDerWaalsContact N-OE2 3.1Å; R587-E603 PolarHBondContact O-N 2.89Å
588	L	97.4	Very high	95.1	Very high	15 Å²	15	52.8 Å²	52.8	8%	0.079	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	113.6	163.2	-178.6	66.8	0	0	0	107.8	I572 L575 N576 I586 D590 Y591 M600 M602	I572-L588 HydrophobicContact CG2-CD2 4.45Å; L575-L588 HydrophobicContact CB-CD2 4.47Å; L575-L588 HydrophobicContact CD2-CB 4.24Å; L575-L588 HydrophobicContact CD2-CD2 4.2Å; L575-L588 HydrophobicContact CG-CB 4.12Å; L575-L588 HydrophobicContact CG-CD2 4.13Å; N576-L588 HydrophobicContact CB-CD2 4.28Å; I586-L588 PolarHBondContact O-N 2.86Å; L588-D590 WeakPolarHBondContact CD1-O 3.38Å; L588-Y591 HydrophobicContact CD2-CD1 3.95Å; L588-Y591 HydrophobicContact CG-CD1 4.47Å; L588-M600 HydrophobicContact CD1-CB 3.86Å; L588-M600 HydrophobicContact CD1-CG 4.1Å; L588-M602 HydrophobicContact CD1-CG 3.98Å
589	Y	96.6	Very high	95.2	Very high	121 Å²	121	55 Å²	55	48%	0.475	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-36.8	-179	-63.5	-72.4	0	0	0	112.8	Y550 R587 V601 E603	Y550-Y589 AromaticContact CD1-CD2 3.56Å; Y550-Y589 HydrophobicContact CD1-CD2 3.56Å; Y550-Y589 AromaticContact CD1-CE2 3.66Å; Y550-Y589 HydrophobicContact CD1-CE2 3.66Å; Y550-Y589 HydrophobicContact CD1-CG 4.45Å; Y550-Y589 AromaticContact CE1-CD2 3.52Å; Y550-Y589 HydrophobicContact CE1-CD2 3.52Å; Y550-Y589 AromaticContact CE1-CE2 3.57Å; Y550-Y589 HydrophobicContact CE1-CE2 3.57Å; Y550-Y589 HydrophobicContact CE1-CG 4.07Å; R587-Y589 HydrophobicContact CB-CE1 4.2Å; R587-Y589 HydrophobicContact CB-CE2 4.15Å; Y589-V601 PolarHBondContact N-O 3.32Å; Y589-E603 HydrophobicContact CE2-CB 3.93Å
590	D	96	Very high	95.2	Very high	21 Å²	21	54.1 Å²	54.1	11%	0.112	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	162.3	179.1	-142.2	-31.1	0	0	0	110.3	K521 R523 L588 V601	K521-D590 WeakPolarHBondContact CD-OD1 3.43Å; K521-D590 WeakPolarHBondContact CE-OD1 3.34Å; K521-D590 IonicContact NZ-OD1 3.13Å; K521-D590 PolarHBondContact NZ-OD1 2.94Å; R523-D590 IonicContact CZ-OD2 3.85Å; R523-D590 IonicContact NH1-OD2 3.04Å; R523-D590 PolarHBondContact NH1-OD2 2.92Å; L588-D590 WeakPolarHBondContact CD1-O 3.38Å; D590-V601 HydrophobicContact CB-CB 4.18Å; D590-V601 HydrophobicContact CB-CG2 4.22Å; D590-V601 PolarHBondContact N-O 3.41Å; D590-V601 PolarHBondContact O-N 3.45Å
591	Y	96.4	Very high	95.4	Very high	71 Å²	71	46.3 Å²	46.3	28%	0.278	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	148	174.8	63.7	-87.4	0	0	0	111.8	K521 I572 L588 I593 Y599	K521-Y591 WeakPolarHBondContact CE-O 3.38Å; K521-Y591 PolarHBondContact NZ-O 3.46Å; I572-Y591 HydrophobicContact CG2-CD1 4.16Å; I572-Y591 HydrophobicContact CG2-CD2 3.87Å; I572-Y591 HydrophobicContact CG2-CE1 4.27Å; I572-Y591 HydrophobicContact CG2-CE2 3.99Å; I572-Y591 HydrophobicContact CG2-CG 3.95Å; L588-Y591 HydrophobicContact CD2-CD1 3.95Å; L588-Y591 HydrophobicContact CG-CD1 4.47Å; Y591-I593 HydrophobicContact CD2-CD1 3.8Å; Y591-I593 HydrophobicContact CD2-CG1 4.09Å; Y591-I593 HydrophobicContact CE2-CD1 3.92Å; Y591-Y599 CarbonylContact C-O 3.59Å; Y591-Y599 WeakPolarHBondContact CA-O 3.15Å; Y591-Y599 WeakPolarHBondContact CB-O 3.34Å
592	E	95.8	Very high	95.5	Very high	43 Å²	43	43.5 Å²	43.5	20%	0.201	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	136	174.4	-171.4	171.2	101.2	0	0	108.7	V520 K521 I598 Y599	V520-E592 HydrophobicContact CG1-CB 3.71Å; K521-E592 WeakPolarHBondContact CA-OE2 3.11Å; K521-E592 PolarHBondContact N-OE2 3.02Å; E592-I598 CarbonylContact O-C 3.48Å; E592-I598 WeakPolarHBondContact O-CA 3.22Å; E592-Y599 PolarHBondContact N-O 3.37Å; E592-Y599 PolarHBondContact O-N 3.05Å
593	I	92.8	Very high	95.4	Very high	64 Å²	64	44 Å²	44	33%	0.328	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	126.8	-178.5	-62.4	164.2	0	0	0	106.7	I572 Y591 I598	I572-I593 HydrophobicContact CD1-CD1 3.84Å; I572-I593 HydrophobicContact CD1-CG1 4.2Å; I572-I593 HydrophobicContact CG2-CD1 4.44Å; Y591-I593 HydrophobicContact CD2-CD1 3.8Å; Y591-I593 HydrophobicContact CD2-CG1 4.09Å; Y591-I593 HydrophobicContact CE2-CD1 3.92Å; I593-I598 HydrophobicContact CG1-CG1 4.37Å; I593-I598 HydrophobicContact CG1-CG2 4.08Å; I593-I598 HydrophobicContact CG2-CG1 4.48Å
594	T	91.3	Very high	95.4	Very high	35 Å²	35	41.9 Å²	41.9	22%	0.215	19%	0.192	C	C	.	.			trans	-122.3	-179.3	168.2	64.5	0	0	0	0	108.6	L557 Q596 Y597	L557-T594 WeakPolarHBondContact CD1-O 3.39Å; T594-Q596 PolarHBondContact O-N 3.48Å; T594-Q596 PolarHBondContact OG1-N 3.06Å; T594-Y597 HydrophobicContact CG2-CD2 4.36Å; T594-Y597 HydrophobicContact CG2-CE1 4.11Å; T594-Y597 HydrophobicContact CG2-CE2 3.74Å; T594-Y597 PolarHBondContact N-O 3.27Å; T594-Y597 VanDerWaalsContact OG1-CD1 3.31Å; T594-Y597 WeakPolarHBondContact OG1-CD1 3.47Å; T594-Y597 WeakPolarHBondContact OG1-CE1 3.28Å; T594-Y597 PolarHBondContact OG1-N 3.47Å; T594-Y597 PolarHBondContact OG1-O 2.85Å
595	D	87.7	Confident	95.2	Very high	116 Å²	116	41.8 Å²	41.8	62%	0.62	20%	0.196	S	C	*	.	S	Bend	trans	-75.5	-13.2	172.2	-56.1	-53.1	0	0	0	112.3
596	Q	89.3	Confident	94.9	Very high	98 Å²	98	46.9 Å²	46.9	46%	0.458	22%	0.223	S	C	.	.	S	Bend	trans	-103.5	-27.2	-178.7	-59.7	76.3	30.5	0	0	113.2	N556 L557 T594	N556-Q596 PolarHBondContact OD1-O 2.77Å; N556-Q596 VanDerWaalsContact OD1-O 3.13Å; L557-Q596 PolarHBondContact N-O 2.96Å; T594-Q596 PolarHBondContact O-N 3.48Å; T594-Q596 PolarHBondContact OG1-N 3.06Å
597	Y	92.9	Very high	94.6	Very high	74 Å²	74	48.6 Å²	48.6	29%	0.29	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	163.4	-176.7	56.6	-96.3	0	0	0	114.9	F554 V555 T594 Y599	F554-Y597 HydrophobicContact CE2-CG 4.28Å; V555-Y597 CarbonylContact O-C 3.6Å; V555-Y597 VanDerWaalsContact O-CA 3.22Å; V555-Y597 WeakPolarHBondContact O-CA 3.27Å; V555-Y597 WeakPolarHBondContact O-CB 3.39Å; T594-Y597 HydrophobicContact CG2-CD2 4.36Å; T594-Y597 HydrophobicContact CG2-CE1 4.11Å; T594-Y597 HydrophobicContact CG2-CE2 3.74Å; T594-Y597 PolarHBondContact N-O 3.27Å; T594-Y597 VanDerWaalsContact OG1-CD1 3.31Å; T594-Y597 WeakPolarHBondContact OG1-CD1 3.47Å; T594-Y597 WeakPolarHBondContact OG1-CE1 3.28Å; T594-Y597 PolarHBondContact OG1-N 3.47Å; T594-Y597 PolarHBondContact OG1-O 2.85Å; Y597-Y599 AromaticContact CD2-CD2 3.63Å; Y597-Y599 HydrophobicContact CD2-CD2 3.63Å; Y597-Y599 AromaticContact CD2-CE2 3.7Å; Y597-Y599 HydrophobicContact CD2-CE2 3.7Å; Y597-Y599 AromaticContact CE2-CD2 3.71Å; Y597-Y599 HydrophobicContact CE2-CD2 3.71Å; Y597-Y599 AromaticContact CE2-CE2 3.74Å; Y597-Y599 HydrophobicContact CE2-CE2 3.74Å; Y597-Y599 HydrophobicContact CG-CE2 4.46Å
598	I	94.6	Very high	94.5	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	134	165.5	-51.4	-177.3	0	0	0	109.1	F554 V555 L557 Y568 I572 E592 I593 M600	F554-I598 CarbonylContact C-O 3.59Å; F554-I598 VanDerWaalsContact CA-O 3.28Å; F554-I598 WeakPolarHBondContact CA-O 3.47Å; V555-I598 HydrophobicContact CB-CB 4.07Å; V555-I598 HydrophobicContact CB-CG1 4.43Å; V555-I598 HydrophobicContact CG2-CB 4.24Å; V555-I598 PolarHBondContact N-O 3.25Å; V555-I598 PolarHBondContact O-N 2.91Å; L557-I598 HydrophobicContact CD1-CD1 4.17Å; L557-I598 HydrophobicContact CD1-CG1 3.63Å; L557-I598 HydrophobicContact CD2-CD1 4.21Å; L557-I598 HydrophobicContact CD2-CG1 4.24Å; L557-I598 HydrophobicContact CG-CG1 4.12Å; Y568-I598 HydrophobicContact CD2-CD1 4.35Å; Y568-I598 HydrophobicContact CG-CD1 4.01Å; I572-I598 HydrophobicContact CD1-CD1 3.93Å; I572-I598 HydrophobicContact CD1-CG2 3.71Å; E592-I598 CarbonylContact O-C 3.48Å; E592-I598 WeakPolarHBondContact O-CA 3.22Å; I593-I598 HydrophobicContact CG1-CG1 4.37Å; I593-I598 HydrophobicContact CG1-CG2 4.08Å; I593-I598 HydrophobicContact CG2-CG1 4.48Å; I598-M600 HydrophobicContact CG2-CE 4.09Å; I598-M600 HydrophobicContact CG2-CG 4.04Å
599	Y	96.9	Very high	94.4	Very high	47 Å²	47	46 Å²	46	18%	0.184	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	133.9	160	-73.6	-67.3	0	0	0	110.1	I518 V520 I552 K553 F554 Y591 E592 Y597	I518-Y599 HydrophobicContact CD1-CE1 4.16Å; I518-Y599 HydrophobicContact CG1-CE1 4.49Å; I518-Y599 HydrophobicContact CG2-CD1 3.82Å; I518-Y599 HydrophobicContact CG2-CD2 4.4Å; I518-Y599 HydrophobicContact CG2-CE1 3.46Å; I518-Y599 VanDerWaalsContact CG2-CE1 3.46Å; I518-Y599 HydrophobicContact CG2-CE2 4.13Å; I518-Y599 HydrophobicContact CG2-CG 4.27Å; V520-Y599 HydrophobicContact CG2-CD2 4.46Å; V520-Y599 HydrophobicContact CG2-CG 4.09Å; I552-Y599 HydrophobicContact CG2-CD1 3.58Å; I552-Y599 HydrophobicContact CG2-CE1 4.27Å; I552-Y599 HydrophobicContact CG2-CG 4.48Å; K553-Y599 CarbonylContact O-C 3.59Å; K553-Y599 WeakPolarHBondContact O-CA 3.48Å; F554-Y599 HydrophobicContact CB-CD1 4.03Å; F554-Y599 HydrophobicContact CB-CE1 3.83Å; F554-Y599 AromaticContact CD2-CD1 3.92Å; F554-Y599 HydrophobicContact CD2-CD1 3.92Å; F554-Y599 AromaticContact CD2-CE1 3.38Å; F554-Y599 HydrophobicContact CD2-CE1 3.38Å; F554-Y599 HydrophobicContact CD2-CE2 4.3Å; F554-Y599 AromaticContact CD2-CZ 3.59Å; F554-Y599 HydrophobicContact CE2-CE1 4.31Å; F554-Y599 HydrophobicContact CG-CD1 4.48Å; F554-Y599 AromaticContact CG-CE1 4Å; F554-Y599 HydrophobicContact CG-CE1 4Å; Y591-Y599 CarbonylContact C-O 3.59Å; Y591-Y599 WeakPolarHBondContact CA-O 3.15Å; Y591-Y599 WeakPolarHBondContact CB-O 3.34Å; E592-Y599 PolarHBondContact N-O 3.37Å; E592-Y599 PolarHBondContact O-N 3.05Å; Y597-Y599 AromaticContact CD2-CD2 3.63Å; Y597-Y599 HydrophobicContact CD2-CD2 3.63Å; Y597-Y599 AromaticContact CD2-CE2 3.7Å; Y597-Y599 HydrophobicContact CD2-CE2 3.7Å; Y597-Y599 AromaticContact CE2-CD2 3.71Å; Y597-Y599 HydrophobicContact CE2-CD2 3.71Å; Y597-Y599 AromaticContact CE2-CE2 3.74Å; Y597-Y599 HydrophobicContact CE2-CE2 3.74Å; Y597-Y599 HydrophobicContact CG-CE2 4.46Å
600	M	96.8	Very high	94.2	Very high	5 Å²	5	42.3 Å²	42.3	3%	0.025	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	118.7	171.6	-72.2	172.8	-81.9	0	0	109.6	I552 K553 V555 I572 L588 I598 M602	I552-M600 VanDerWaalsContact CA-O 3.3Å; I552-M600 WeakPolarHBondContact CA-O 3.26Å; K553-M600 HydrophobicContact CB-CB 4.44Å; K553-M600 HydrophobicContact CB-CE 4.19Å; K553-M600 HydrophobicContact CD-CE 3.55Å; K553-M600 HydrophobicContact CG-CE 3.76Å; K553-M600 PolarHBondContact N-O 3.25Å; K553-M600 PolarHBondContact O-N 2.63Å; V555-M600 HydrophobicContact CG2-CE 4.24Å; I572-M600 HydrophobicContact CD1-CG 4.45Å; I572-M600 HydrophobicContact CD1-SD 4.06Å; I572-M600 HydrophobicContact CG1-CG 4.47Å; I572-M600 HydrophobicContact CG1-SD 3.7Å; L588-M600 HydrophobicContact CD1-CB 3.86Å; L588-M600 HydrophobicContact CD1-CG 4.1Å; I598-M600 HydrophobicContact CG2-CE 4.09Å; I598-M600 HydrophobicContact CG2-CG 4.04Å; M600-M602 HydrophobicContact CB-CG 4.17Å; M600-M602 HydrophobicContact CB-SD 4.27Å
601	V	97.8	Very high	94	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	112.8	176	-173.6	0	0	0	0	108.6	V520 Y525 Y550 I552 Y589 D590	V520-V601 HydrophobicContact CB-CG2 4.02Å; V520-V601 HydrophobicContact CG1-CG2 3.98Å; V520-V601 HydrophobicContact CG2-CG2 4Å; Y525-V601 HydrophobicContact CE1-CG1 3.94Å; Y525-V601 HydrophobicContact CE2-CG2 4.18Å; Y550-V601 HydrophobicContact CD1-CG1 3.9Å; Y550-V601 HydrophobicContact CG-CG1 4.04Å; I552-V601 HydrophobicContact CD1-CG2 4.23Å; I552-V601 HydrophobicContact CG1-CG2 4.17Å; Y589-V601 PolarHBondContact N-O 3.32Å; D590-V601 HydrophobicContact CB-CB 4.18Å; D590-V601 HydrophobicContact CB-CG2 4.22Å; D590-V601 PolarHBondContact N-O 3.41Å; D590-V601 PolarHBondContact O-N 3.45Å
602	M	97.7	Very high	93.9	Very high	19 Å²	19	41.5 Å²	41.5	9%	0.094	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	166.9	-170.7	-55.2	-179.6	-56.9	0	0	112.2	Y550 A551 K553 R587 L588 M600	Y550-M602 WeakPolarHBondContact CA-O 3.45Å; A551-M602 PolarHBondContact N-O 2.98Å; A551-M602 WeakPolarHBondContact O-CA 3.43Å; A551-M602 PolarHBondContact O-N 2.96Å; K553-M602 HydrophobicContact CB-CE 3.54Å; K553-M602 HydrophobicContact CD-CE 4.45Å; R587-M602 CarbonylContact O-C 3.58Å; R587-M602 WeakPolarHBondContact O-CA 3.34Å; R587-M602 WeakPolarHBondContact O-CB 3.39Å; L588-M602 HydrophobicContact CD1-CG 3.98Å; M600-M602 HydrophobicContact CB-CG 4.17Å; M600-M602 HydrophobicContact CB-SD 4.27Å
603	E	96.4	Very high	93.8	Very high	25 Å²	25	40 Å²	40	12%	0.117	21%	0.207	C	C	.	.			trans	-63.4	132.9	169.8	163.6	177.7	-126.6	0	0	112	I586 R587 Y589 G605 V656 K661	I586-E603 HydrophobicContact CD1-CB 3.96Å; I586-E603 HydrophobicContact CD1-CG 4Å; I586-E603 HydrophobicContact CG1-CB 4.49Å; R587-E603 HydrophobicContact CB-CB 3.76Å; R587-E603 HydrophobicContact CG-CB 4.47Å; R587-E603 WeakPolarHBondContact CG-OE2 3.36Å; R587-E603 PolarHBondContact N-OE2 2.55Å; R587-E603 VanDerWaalsContact N-OE2 3.1Å; R587-E603 PolarHBondContact O-N 2.89Å; Y589-E603 HydrophobicContact CE2-CB 3.93Å; E603-G605 PolarHBondContact O-N 1.96Å; E603-V656 HydrophobicContact CG-CG1 3.86Å; E603-V656 HydrophobicContact CG-CG2 4.35Å; E603-K661 IonicContact OE1-NZ 3.96Å; E603-K661 PolarHBondContact OE1-NZ 3.03Å; E603-K661 VanDerWaalsContact OE2-CD 3.28Å; E603-K661 WeakPolarHBondContact OE2-CD 3.46Å; E603-K661 IonicContact OE2-NZ 3.96Å; E603-K661 PolarHBondContact OE2-NZ 2.98Å
604	C	96.1	Very high	93.7	Very high	22 Å²	22	44 Å²	44	15%	0.149	22%	0.222	C	C	.	.			trans	-92	102.1	-179.9	-168.7	0	0	0	0	110.3	I549 A551	I549-C604 HydrophobicContact CD1-CB 4.02Å; I549-C604 HydrophobicContact CG1-CB 3.79Å; A551-C604 HydrophobicContact CB-CB 4.32Å
605	G	93	Very high	93.7	Very high	16 Å²	16	49.8 Å²	49.8	17%	0.165	24%	0.244	C	C	.	.			trans	-69.8	170.4	170.1	0	0	0	0	0	113.9	E603 I655	E603-G605 PolarHBondContact O-N 1.96Å; G605-I655 CarbonylContact C-O 3.57Å; G605-I655 WeakPolarHBondContact CA-O 3.33Å
606	N	91.7	Very high	93.7	Very high	106 Å²	106	48 Å²	48	57%	0.567	23%	0.231	S	C	*	.	S	Bend	trans	-81.2	-42.4	-177.7	-45.6	103.1	0	0	0	111.7	I655 D657	N606-I655 PolarHBondContact N-O 3.28Å; N606-I655 PolarHBondContact OD1-O 3.41Å; N606-D657 PolarHBondContact OD1-N 3.35Å
607	I	92.8	Very high	93.3	Very high	40 Å²	40	53.8 Å²	53.8	21%	0.205	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169	149.7	-177.3	-171.6	169.1	0	0	0	110.6	W612 K615 I655	I607-W612 HydrophobicContact CD1-CB 4.27Å; I607-W612 HydrophobicContact CG1-CB 4.44Å; I607-W612 HydrophobicContact CG2-CB 4.06Å; I607-W612 HydrophobicContact CG2-CG 4.33Å; I607-K615 HydrophobicContact CD1-CD 4.05Å; I607-I655 HydrophobicContact CG2-CB 4.37Å; I607-I655 HydrophobicContact CG2-CD1 4.1Å; I607-I655 PolarHBondContact O-N 3.34Å
608	D	94	Very high	93.1	Very high	42 Å²	42	54.8 Å²	54.8	23%	0.225	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	148.9	171	68.4	103.6	0	0	0	112	N610 S611 W612	D608-N610 VanDerWaalsContact C-N 3.27Å; D608-N610 PolarHBondContact O-N 3.23Å; D608-N610 WeakPolarHBondContact OD1-CB 3.25Å; D608-N610 PolarHBondContact OD1-N 2.99Å; D608-N610 PolarHBondContact OD1-ND2 3.36Å; D608-S611 VanDerWaalsContact CG-OG 3.26Å; D608-S611 PolarHBondContact O-N 2.98Å; D608-S611 PolarHBondContact OD1-N 3.09Å; D608-S611 PolarHBondContact OD1-OG 3.22Å; D608-S611 VanDerWaalsContact OD1-OG 3.14Å; D608-S611 WeakPolarHBondContact OD2-CB 3.34Å; D608-S611 PolarHBondContact OD2-OG 3.3Å; D608-W612 WeakPolarHBondContact O-CB 3.25Å; D608-W612 PolarHBondContact O-N 3.11Å
609	L	95.4	Very high	93	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.1	-34	-176.4	176.5	69.5	0	0	0	111.7	W612 L613 Y627 M631 P650 F653 L660 I723	L609-W612 HydrophobicContact CD1-CE3 3.91Å; L609-W612 HydrophobicContact CD1-CZ3 4.35Å; L609-W612 PolarHBondContact O-N 3.31Å; L609-L613 HydrophobicContact CD1-CD1 4.08Å; L609-L613 HydrophobicContact CD1-CD2 4.26Å; L609-L613 HydrophobicContact CD1-CG 3.91Å; L609-L613 HydrophobicContact CD2-CD1 4.38Å; L609-L613 HydrophobicContact CG-CD1 3.8Å; L609-L613 HydrophobicContact CG-CG 4.1Å; L609-L613 WeakPolarHBondContact O-CB 3.45Å; L609-L613 WeakPolarHBondContact O-CG 3.29Å; L609-L613 PolarHBondContact O-N 2.8Å; L609-Y627 HydrophobicContact CD1-CD2 4.34Å; L609-M631 HydrophobicContact CD2-SD 4.13Å; L609-P650 HydrophobicContact CB-CB 4.29Å; L609-P650 WeakPolarHBondContact CB-O 3.38Å; L609-P650 HydrophobicContact CD2-CB 4.03Å; L609-P650 HydrophobicContact CG-CB 4Å; L609-P650 PolarHBondContact N-O 3.29Å; L609-F653 HydrophobicContact CB-CB 4.15Å; L609-F653 WeakPolarHBondContact CB-O 3.33Å; L609-F653 HydrophobicContact CD2-CB 4.21Å; L609-F653 PolarHBondContact N-O 2.84Å; L609-L660 HydrophobicContact CB-CD2 4.05Å; L609-L660 HydrophobicContact CD1-CD1 4.45Å; L609-L660 HydrophobicContact CD1-CD2 4.28Å; L609-L660 HydrophobicContact CD2-CD1 3.84Å; L609-L660 HydrophobicContact CD2-CD2 4.43Å; L609-L660 HydrophobicContact CG-CD2 4.47Å; L609-I723 HydrophobicContact CD2-CG2 4.19Å
610	N	93.3	Very high	92.8	Very high	42 Å²	42	57.3 Å²	57.3	23%	0.225	29%	0.289	C	S	.	.	H	α-helix	trans	-62.9	-48.9	174.5	159	78.9	0	0	0	112.5	D608 W612 L613 K614 P650 A651	D608-N610 VanDerWaalsContact C-N 3.27Å; D608-N610 PolarHBondContact O-N 3.23Å; D608-N610 WeakPolarHBondContact OD1-CB 3.25Å; D608-N610 PolarHBondContact OD1-N 2.99Å; D608-N610 PolarHBondContact OD1-ND2 3.36Å; N610-W612 VanDerWaalsContact C-N 3.26Å; N610-W612 PolarHBondContact O-N 2.86Å; N610-L613 PolarHBondContact O-N 3.39Å; N610-K614 WeakPolarHBondContact O-CG 3.46Å; N610-K614 PolarHBondContact O-N 3.23Å; N610-K614 VanDerWaalsContact O-N 3.13Å; N610-K614 VanDerWaalsContact OD1-CE 3.3Å; N610-K614 WeakPolarHBondContact OD1-CE 3.31Å; N610-P650 HydrophobicContact CB-CB 3.9Å; N610-P650 PolarHBondContact N-O 3.27Å; N610-A651 HydrophobicContact CB-CB 4.21Å
611	S	91.1	Very high	92.7	Very high	38 Å²	38	59.8 Å²	59.8	27%	0.266	31%	0.305	S	S	.	.	H	α-helix	trans	-68	-25.9	175.6	-61.2	0	0	0	0	113.2	D608 K615	D608-S611 VanDerWaalsContact CG-OG 3.26Å; D608-S611 PolarHBondContact O-N 2.98Å; D608-S611 PolarHBondContact OD1-N 3.09Å; D608-S611 PolarHBondContact OD1-OG 3.22Å; D608-S611 VanDerWaalsContact OD1-OG 3.14Å; D608-S611 WeakPolarHBondContact OD2-CB 3.34Å; D608-S611 PolarHBondContact OD2-OG 3.3Å; S611-K615 WeakPolarHBondContact O-CD 3.42Å; S611-K615 VanDerWaalsContact O-CG 3.31Å; S611-K615 WeakPolarHBondContact O-CG 3.27Å
612	W	94.8	Very high	92.5	Very high	37 Å²	37	68.8 Å²	68.8	14%	0.14	34%	0.339	C	S	.	.	H	α-helix	trans	-74.1	-48.6	174.4	-175.8	94.4	0	0	0	111.9	I607 D608 L609 N610 K614 K615 K616 I619 E623 Y627 I655	I607-W612 HydrophobicContact CD1-CB 4.27Å; I607-W612 HydrophobicContact CG1-CB 4.44Å; I607-W612 HydrophobicContact CG2-CB 4.06Å; I607-W612 HydrophobicContact CG2-CG 4.33Å; D608-W612 WeakPolarHBondContact O-CB 3.25Å; D608-W612 PolarHBondContact O-N 3.11Å; L609-W612 HydrophobicContact CD1-CE3 3.91Å; L609-W612 HydrophobicContact CD1-CZ3 4.35Å; L609-W612 PolarHBondContact O-N 3.31Å; N610-W612 VanDerWaalsContact C-N 3.26Å; N610-W612 PolarHBondContact O-N 2.86Å; W612-K614 VanDerWaalsContact C-N 3.29Å; W612-K614 PolarHBondContact O-N 3.38Å; W612-K615 PolarHBondContact O-N 3.39Å; W612-K616 HydrophobicContact CE3-CB 4.43Å; W612-K616 HydrophobicContact CH2-CD 3.81Å; W612-K616 HydrophobicContact CH2-CG 4.15Å; W612-K616 HydrophobicContact CZ2-CD 3.56Å; W612-K616 HydrophobicContact CZ2-CG 4.34Å; W612-K616 HydrophobicContact CZ3-CB 4.38Å; W612-K616 HydrophobicContact CZ3-CD 4.5Å; W612-K616 HydrophobicContact CZ3-CG 4.44Å; W612-K616 PolarHBondContact O-N 2.85Å; W612-I619 HydrophobicContact CH2-CG1 4.03Å; W612-I619 HydrophobicContact CH2-CG2 4.04Å; W612-I619 HydrophobicContact CZ3-CD1 4.05Å; W612-I619 HydrophobicContact CZ3-CG1 3.86Å; W612-I619 HydrophobicContact CZ3-CG2 4.4Å; W612-E623 HydrophobicContact CH2-CG 4.27Å; W612-E623 VanDerWaalsContact CH2-OE2 3.27Å; W612-E623 WeakPolarHBondContact CH2-OE2 3.39Å; W612-E623 VanDerWaalsContact CZ2-CD 3.43Å; W612-E623 HydrophobicContact CZ2-CG 4.41Å; W612-E623 VanDerWaalsContact CZ2-OE1 3.28Å; W612-E623 WeakPolarHBondContact CZ2-OE1 3.28Å; W612-E623 WeakPolarHBondContact CZ2-OE2 3.29Å; W612-Y627 AromaticContact CH2-CE2 3.79Å; W612-Y627 HydrophobicContact CH2-CE2 3.79Å; W612-Y627 AromaticContact CZ2-CE2 3.95Å; W612-Y627 HydrophobicContact CZ2-CE2 3.95Å; W612-Y627 HydrophobicContact CZ3-CE2 4.13Å; W612-I655 HydrophobicContact CB-CD1 3.91Å; W612-I655 VanDerWaalsContact CD1-CD1 3.45Å; W612-I655 HydrophobicContact CD2-CD1 3.84Å; W612-I655 HydrophobicContact CG-CD1 3.48Å; W612-I655 VanDerWaalsContact CG-CD1 3.48Å
613	L	93.8	Very high	92.4	Very high	11 Å²	11	69.7 Å²	69.7	6%	0.058	34%	0.343	C	S	.	.	H	α-helix	trans	-59.3	-39.9	177.2	-70.2	170.7	0	0	0	111.5	L609 N610 K615 K616 I619 P650 Y726 M727	L609-L613 HydrophobicContact CD1-CD1 4.08Å; L609-L613 HydrophobicContact CD1-CD2 4.26Å; L609-L613 HydrophobicContact CD1-CG 3.91Å; L609-L613 HydrophobicContact CD2-CD1 4.38Å; L609-L613 HydrophobicContact CG-CD1 3.8Å; L609-L613 HydrophobicContact CG-CG 4.1Å; L609-L613 WeakPolarHBondContact O-CB 3.45Å; L609-L613 WeakPolarHBondContact O-CG 3.29Å; L609-L613 PolarHBondContact O-N 2.8Å; N610-L613 PolarHBondContact O-N 3.39Å; L613-K615 PolarHBondContact O-N 2.71Å; L613-K616 PolarHBondContact O-N 3Å; L613-I619 HydrophobicContact CD2-CD1 3.35Å; L613-I619 HydrophobicContact CD2-CG1 4.38Å; L613-P650 HydrophobicContact CD1-CB 3.91Å; L613-P650 HydrophobicContact CD1-CG 4.11Å; L613-Y726 HydrophobicContact CB-CE1 3.77Å; L613-Y726 HydrophobicContact CD1-CD1 3.72Å; L613-Y726 HydrophobicContact CD1-CE1 3.66Å; L613-Y726 HydrophobicContact CG-CE1 4.28Å; L613-M727 HydrophobicContact CD1-CG 4.3Å; L613-M727 HydrophobicContact CD2-CG 3.86Å
614	K	90.3	Very high	92.4	Very high	148 Å²	148	69.7 Å²	69.7	64%	0.643	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-21.5	173.8	-73.5	177.3	-179.3	-173.4	0	114.5	N610 W612	N610-K614 WeakPolarHBondContact O-CG 3.46Å; N610-K614 PolarHBondContact O-N 3.23Å; N610-K614 VanDerWaalsContact O-N 3.13Å; N610-K614 VanDerWaalsContact OD1-CE 3.3Å; N610-K614 WeakPolarHBondContact OD1-CE 3.31Å; W612-K614 VanDerWaalsContact C-N 3.29Å; W612-K614 PolarHBondContact O-N 3.38Å
615	K	90.9	Very high	92.5	Very high	158 Å²	158	70.9 Å²	70.9	69%	0.687	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-24.2	179.7	-69.4	171.3	-174.8	176.5	0	113.2	I607 S611 W612 L613	I607-K615 HydrophobicContact CD1-CD 4.05Å; S611-K615 WeakPolarHBondContact O-CD 3.42Å; S611-K615 VanDerWaalsContact O-CG 3.31Å; S611-K615 WeakPolarHBondContact O-CG 3.27Å; W612-K615 PolarHBondContact O-N 3.39Å; L613-K615 PolarHBondContact O-N 2.71Å
616	K	87.4	Confident	92.6	Very high	79 Å²	79	71.7 Å²	71.7	34%	0.343	35%	0.348	S	S	.	.			trans	-90.8	115.5	-172.8	-165.3	106.8	174.8	-149	0	110.8	W612 L613 S618 I619 E623	W612-K616 HydrophobicContact CE3-CB 4.43Å; W612-K616 HydrophobicContact CH2-CD 3.81Å; W612-K616 HydrophobicContact CH2-CG 4.15Å; W612-K616 HydrophobicContact CZ2-CD 3.56Å; W612-K616 HydrophobicContact CZ2-CG 4.34Å; W612-K616 HydrophobicContact CZ3-CB 4.38Å; W612-K616 HydrophobicContact CZ3-CD 4.5Å; W612-K616 HydrophobicContact CZ3-CG 4.44Å; W612-K616 PolarHBondContact O-N 2.85Å; L613-K616 PolarHBondContact O-N 3Å; K616-S618 WeakPolarHBondContact CE-O 3.28Å; K616-S618 WeakPolarHBondContact CG-O 3.38Å; K616-I619 HydrophobicContact CG-CG1 4.13Å; K616-E623 IonicContact NZ-OE1 2.77Å; K616-E623 PolarHBondContact NZ-OE1 3.33Å; K616-E623 IonicContact NZ-OE2 3.15Å; K616-E623 PolarHBondContact NZ-OE2 3.35Å
617	K	81.8	Confident	92.9	Very high	219 Å²	219	67.1 Å²	67.1	95%	0.952	32%	0.323	S	S	*	.	S	Bend	trans	-68.7	-30	178.1	-68.6	-172.3	177.4	-175.8	0	114.1
618	S	87.8	Confident	93.2	Very high	95 Å²	95	65.2 Å²	65.2	66%	0.664	31%	0.313	S	S	*	.	S	Bend	trans	-154.9	145.2	175.8	-174.5	0	0	0	0	109.2	K616	K616-S618 WeakPolarHBondContact CE-O 3.28Å; K616-S618 WeakPolarHBondContact CG-O 3.38Å
619	I	92.9	Very high	93.4	Very high	20 Å²	20	67.4 Å²	67.4	10%	0.103	32%	0.321	C	S	.	.			trans	-107.8	135.3	-175.2	-59.3	163.7	0	0	0	108.1	W612 L613 K616 R624 M727	W612-I619 HydrophobicContact CH2-CG1 4.03Å; W612-I619 HydrophobicContact CH2-CG2 4.04Å; W612-I619 HydrophobicContact CZ3-CD1 4.05Å; W612-I619 HydrophobicContact CZ3-CG1 3.86Å; W612-I619 HydrophobicContact CZ3-CG2 4.4Å; L613-I619 HydrophobicContact CD2-CD1 3.35Å; L613-I619 HydrophobicContact CD2-CG1 4.38Å; K616-I619 HydrophobicContact CG-CG1 4.13Å; I619-R624 HydrophobicContact CG2-CB 3.9Å; I619-M727 HydrophobicContact CD1-CB 3.93Å; I619-M727 HydrophobicContact CD1-CG 4.12Å
620	D	93.5	Very high	93.6	Very high	81 Å²	81	68 Å²	68	43%	0.433	32%	0.324	S	S	.	.			trans	-67.3	137.8	176.1	171	81.4	0	0	0	110.6	W622 E623 R624	D620-W622 VanDerWaalsContact C-N 3.3Å; D620-W622 PolarHBondContact O-N 2.94Å; D620-W622 WeakPolarHBondContact OD2-CA 3.44Å; D620-W622 VanDerWaalsContact OD2-CB 3.26Å; D620-W622 WeakPolarHBondContact OD2-CB 3.46Å; D620-W622 PolarHBondContact OD2-N 3.46Å; D620-E623 HydrophobicContact CB-CB 3.87Å; D620-E623 WeakPolarHBondContact O-CB 3.42Å; D620-E623 PolarHBondContact O-N 3.19Å; D620-E623 PolarHBondContact OD2-N 2.83Å; D620-R624 WeakPolarHBondContact O-CB 3.46Å; D620-R624 PolarHBondContact O-N 3.13Å
621	P	95	Very high	93.8	Very high	58 Å²	58	66 Å²	66	38%	0.377	31%	0.313	S	S	.	.	H	α-helix	trans	-59.5	-34	-178.5	-27.4	36.5	0	0	0	114.7	K625	P621-K625 WeakPolarHBondContact O-CB 3.23Å; P621-K625 PolarHBondContact O-N 3.04Å
622	W	93.1	Very high	94.2	Very high	188 Å²	188	64.1 Å²	64.1	71%	0.712	30%	0.3	S	S	*	.	H	α-helix	trans	-76.1	-39.9	177.5	-177.1	94.1	0	0	0	111.2	D620 K625 S626	D620-W622 VanDerWaalsContact C-N 3.3Å; D620-W622 PolarHBondContact O-N 2.94Å; D620-W622 WeakPolarHBondContact OD2-CA 3.44Å; D620-W622 VanDerWaalsContact OD2-CB 3.26Å; D620-W622 WeakPolarHBondContact OD2-CB 3.46Å; D620-W622 PolarHBondContact OD2-N 3.46Å; W622-K625 PolarHBondContact O-N 2.95Å; W622-S626 WeakPolarHBondContact O-CB 3.27Å; W622-S626 PolarHBondContact O-N 2.94Å
623	E	94.9	Very high	94.4	Very high	38 Å²	38	64.7 Å²	64.7	18%	0.178	30%	0.304	C	S	.	.	H	α-helix	trans	-57.6	-47.7	169.9	-174.1	177.2	-127.7	0	0	111.1	W612 K616 D620 K625 S626 Y627	W612-E623 HydrophobicContact CH2-CG 4.27Å; W612-E623 VanDerWaalsContact CH2-OE2 3.27Å; W612-E623 WeakPolarHBondContact CH2-OE2 3.39Å; W612-E623 VanDerWaalsContact CZ2-CD 3.43Å; W612-E623 HydrophobicContact CZ2-CG 4.41Å; W612-E623 VanDerWaalsContact CZ2-OE1 3.28Å; W612-E623 WeakPolarHBondContact CZ2-OE1 3.28Å; W612-E623 WeakPolarHBondContact CZ2-OE2 3.29Å; K616-E623 IonicContact NZ-OE1 2.77Å; K616-E623 PolarHBondContact NZ-OE1 3.33Å; K616-E623 IonicContact NZ-OE2 3.15Å; K616-E623 PolarHBondContact NZ-OE2 3.35Å; D620-E623 HydrophobicContact CB-CB 3.87Å; D620-E623 WeakPolarHBondContact O-CB 3.42Å; D620-E623 PolarHBondContact O-N 3.19Å; D620-E623 PolarHBondContact OD2-N 2.83Å; E623-K625 PolarHBondContact O-N 3.41Å; E623-S626 PolarHBondContact O-N 3.22Å; E623-Y627 HydrophobicContact CG-CD2 4.11Å; E623-Y627 HydrophobicContact CG-CE1 4.35Å; E623-Y627 HydrophobicContact CG-CE2 3.59Å; E623-Y627 WeakPolarHBondContact O-CB 3.34Å; E623-Y627 VanDerWaalsContact O-CG 3.29Å; E623-Y627 PolarHBondContact O-N 2.87Å
624	R	97.2	Very high	94.6	Very high	26 Å²	26	64.2 Å²	64.2	10%	0.098	30%	0.302	C	S	.	.	H	α-helix	trans	-57.9	-46.7	173.7	173.2	167.1	59.3	-129.2	0.3	112.1	I619 D620 W628 L724 M727 E761 L764	I619-R624 HydrophobicContact CG2-CB 3.9Å; D620-R624 WeakPolarHBondContact O-CB 3.46Å; D620-R624 PolarHBondContact O-N 3.13Å; R624-W628 VanDerWaalsContact O-CB 3.29Å; R624-W628 WeakPolarHBondContact O-CB 3.26Å; R624-W628 PolarHBondContact O-N 3.37Å; R624-L724 HydrophobicContact CG-CD1 3.94Å; R624-M727 HydrophobicContact CB-CE 4.27Å; R624-M727 WeakPolarHBondContact CD-O 3.28Å; R624-M727 HydrophobicContact CG-CB 4.32Å; R624-M727 HydrophobicContact CG-CE 4.18Å; R624-M727 PolarHBondContact NH1-O 3.49Å; R624-E761 IonicContact CZ-OE2 3.51Å; R624-E761 IonicContact NE-OE2 2.67Å; R624-E761 IonicContact NH2-OE2 3.76Å; R624-E761 PolarHBondContact NH2-OE2 2.78Å; R624-L764 VanDerWaalsContact NE-CD2 3.33Å
625	K	96.9	Very high	95	Very high	47 Å²	47	57.1 Å²	57.1	20%	0.204	27%	0.271	C	S	.	.	H	α-helix	trans	-65.2	-40.7	-180	-174.4	177.1	-67.3	-145.4	0	112.3	P621 W622 E623 W628 K629 Y790	P621-K625 WeakPolarHBondContact O-CB 3.23Å; P621-K625 PolarHBondContact O-N 3.04Å; W622-K625 PolarHBondContact O-N 2.95Å; E623-K625 PolarHBondContact O-N 3.41Å; K625-W628 PolarHBondContact O-N 3.04Å; K625-K629 PolarHBondContact O-N 3.35Å; K625-Y790 HydrophobicContact CB-CE1 4.42Å; K625-Y790 VanDerWaalsContact CD-O 3.23Å; K625-Y790 WeakPolarHBondContact CD-O 3.21Å; K625-Y790 VanDerWaalsContact CE-CE2 3.46Å; K625-Y790 WeakPolarHBondContact CE-O 3.47Å; K625-Y790 HydrophobicContact CG-CE1 4.28Å; K625-Y790 PolarHBondContact NZ-O 3.3Å
626	S	96.8	Very high	95.3	Very high	33 Å²	33	51.7 Å²	51.7	23%	0.231	25%	0.248	C	C	.	.	H	α-helix	trans	-62.8	-51.1	176.2	-173.3	0	0	0	0	111.3	W622 E623 W628 K629 N630	W622-S626 WeakPolarHBondContact O-CB 3.27Å; W622-S626 PolarHBondContact O-N 2.94Å; E623-S626 PolarHBondContact O-N 3.22Å; S626-W628 PolarHBondContact O-N 2.77Å; S626-K629 PolarHBondContact O-N 3.03Å; S626-N630 VanDerWaalsContact O-CG 3.28Å; S626-N630 PolarHBondContact O-N 2.76Å; S626-N630 PolarHBondContact O-ND2 2.94Å
627	Y	98.2	Very high	95.8	Very high	10 Å²	10	48.5 Å²	48.5	4%	0.039	24%	0.235	C	C	.	.	H	α-helix	trans	-60.2	-41.5	175.8	-72.4	-4.2	0	0	0	112.4	L609 W612 E623 N630 M631 I655 G658 L660 M727	L609-Y627 HydrophobicContact CD1-CD2 4.34Å; W612-Y627 AromaticContact CH2-CE2 3.79Å; W612-Y627 HydrophobicContact CH2-CE2 3.79Å; W612-Y627 AromaticContact CZ2-CE2 3.95Å; W612-Y627 HydrophobicContact CZ2-CE2 3.95Å; W612-Y627 HydrophobicContact CZ3-CE2 4.13Å; E623-Y627 HydrophobicContact CG-CD2 4.11Å; E623-Y627 HydrophobicContact CG-CE1 4.35Å; E623-Y627 HydrophobicContact CG-CE2 3.59Å; E623-Y627 WeakPolarHBondContact O-CB 3.34Å; E623-Y627 VanDerWaalsContact O-CG 3.29Å; E623-Y627 PolarHBondContact O-N 2.87Å; Y627-N630 PolarHBondContact O-N 2.74Å; Y627-M631 WeakPolarHBondContact O-CG 3.33Å; Y627-M631 PolarHBondContact O-N 2.85Å; Y627-I655 HydrophobicContact CE2-CD1 4.25Å; Y627-G658 WeakPolarHBondContact CE1-O 3.32Å; Y627-L660 HydrophobicContact CD1-CD1 4.23Å; Y627-L660 HydrophobicContact CD1-CG 3.83Å; Y627-L660 HydrophobicContact CD2-CD1 4.32Å; Y627-L660 HydrophobicContact CD2-CG 4.47Å; Y627-L660 HydrophobicContact CE1-CG 4.41Å; Y627-L660 HydrophobicContact CG-CD1 3.78Å; Y627-L660 HydrophobicContact CG-CG 3.88Å; Y627-M727 HydrophobicContact CD2-CE 3.89Å; Y627-M727 HydrophobicContact CG-CE 4.43Å
628	W	98.6	Very high	96.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-57.9	-48.8	173.8	178.6	-118.5	0	0	0	112.1	R624 K625 S626 N630 M631 L632 L720 L724 V767 L785 Y790	R624-W628 VanDerWaalsContact O-CB 3.29Å; R624-W628 WeakPolarHBondContact O-CB 3.26Å; R624-W628 PolarHBondContact O-N 3.37Å; K625-W628 PolarHBondContact O-N 3.04Å; S626-W628 PolarHBondContact O-N 2.77Å; W628-N630 PolarHBondContact O-N 3.31Å; W628-M631 HydrophobicContact CE3-CE 4.03Å; W628-M631 PolarHBondContact O-N 3.5Å; W628-L632 HydrophobicContact CD2-CD1 4.44Å; W628-L632 HydrophobicContact CD2-CG 4.36Å; W628-L632 HydrophobicContact CH2-CD2 4.16Å; W628-L632 HydrophobicContact CZ2-CD1 4.16Å; W628-L632 HydrophobicContact CZ2-CD2 3.84Å; W628-L632 HydrophobicContact CZ2-CG 4.16Å; W628-L632 WeakPolarHBondContact O-CG 3.37Å; W628-L632 PolarHBondContact O-N 3.15Å; W628-L720 HydrophobicContact CH2-CB 3.98Å; W628-L720 HydrophobicContact CZ3-CB 3.85Å; W628-L720 WeakPolarHBondContact CZ3-O 3.4Å; W628-L724 HydrophobicContact CB-CD1 4.07Å; W628-L724 HydrophobicContact CD2-CD1 3.96Å; W628-L724 HydrophobicContact CD2-CD2 3.74Å; W628-L724 HydrophobicContact CD2-CG 4.29Å; W628-L724 HydrophobicContact CE3-CB 3.8Å; W628-L724 HydrophobicContact CE3-CD1 3.86Å; W628-L724 HydrophobicContact CE3-CD2 3.83Å; W628-L724 HydrophobicContact CE3-CG 4.03Å; W628-L724 HydrophobicContact CG-CD1 4.05Å; W628-L724 HydrophobicContact CG-CD2 4.32Å; W628-L724 HydrophobicContact CH2-CB 4.41Å; W628-L724 HydrophobicContact CH2-CD2 4.08Å; W628-L724 HydrophobicContact CZ2-CD2 3.98Å; W628-L724 HydrophobicContact CZ3-CB 3.73Å; W628-L724 HydrophobicContact CZ3-CD2 4Å; W628-L724 HydrophobicContact CZ3-CG 4.33Å; W628-V767 HydrophobicContact CH2-CG1 4.43Å; W628-V767 HydrophobicContact CZ2-CG1 3.61Å; W628-L785 HydrophobicContact CZ2-CD1 4.11Å; W628-L785 HydrophobicContact CZ2-CD2 4.13Å; W628-Y790 HydrophobicContact CB-CE1 4.39Å; W628-Y790 AromaticContact CD1-CD1 3.6Å; W628-Y790 AromaticContact CD1-CE1 3.64Å; W628-Y790 HydrophobicContact CG-CE1 4.15Å; W628-Y790 AromaticContact NE1-CD1 3.97Å
629	K	98.2	Very high	97	Very high	88 Å²	88	34.9 Å²	34.9	38%	0.383	16%	0.164	S	C	.	.	H	α-helix	trans	-60.7	-42.6	176.6	179.4	170.5	173.5	170.1	0	112.2	K625 S626 M631 L632 E633 V791	K625-K629 PolarHBondContact O-N 3.35Å; S626-K629 PolarHBondContact O-N 3.03Å; K629-M631 PolarHBondContact O-N 3.23Å; K629-L632 PolarHBondContact O-N 3.1Å; K629-E633 WeakPolarHBondContact CE-OE1 3.39Å; K629-E633 HydrophobicContact CG-CG 4.48Å; K629-E633 WeakPolarHBondContact CG-OE1 3.33Å; K629-E633 IonicContact NZ-OE1 2.71Å; K629-E633 WeakPolarHBondContact O-CG 3.5Å; K629-E633 PolarHBondContact O-N 2.84Å; K629-V791 HydrophobicContact CB-CG1 4.33Å; K629-V791 HydrophobicContact CD-CG1 4.11Å; K629-V791 HydrophobicContact CG-CG1 4.16Å
630	N	98.4	Very high	97.3	Very high	11 Å²	11	39.8 Å²	39.8	6%	0.059	19%	0.187	C	C	.	.	H	α-helix	trans	-61.1	-42.9	176.4	-63.8	171.5	0	0	0	112.2	K584 S626 Y627 W628 E633 A634 M659 L660	K584-N630 HydrophobicContact CD-CB 4.32Å; K584-N630 WeakPolarHBondContact CE-ND2 3.27Å; S626-N630 VanDerWaalsContact O-CG 3.28Å; S626-N630 PolarHBondContact O-N 2.76Å; S626-N630 PolarHBondContact O-ND2 2.94Å; Y627-N630 PolarHBondContact O-N 2.74Å; W628-N630 PolarHBondContact O-N 3.31Å; N630-E633 PolarHBondContact O-N 2.76Å; N630-A634 WeakPolarHBondContact O-CB 3.13Å; N630-A634 PolarHBondContact O-N 2.89Å; N630-M659 WeakPolarHBondContact OD1-CA 3.38Å; N630-L660 HydrophobicContact CB-CB 3.92Å; N630-L660 PolarHBondContact OD1-N 3.41Å
631	M	98.7	Very high	97.4	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-64.1	-41	176.6	-69.5	-173.4	-71.8	0	0	111.9	L609 Y627 W628 K629 V635 F653 L660 L720 I723 M727	L609-M631 HydrophobicContact CD2-SD 4.13Å; Y627-M631 WeakPolarHBondContact O-CG 3.33Å; Y627-M631 PolarHBondContact O-N 2.85Å; W628-M631 HydrophobicContact CE3-CE 4.03Å; W628-M631 PolarHBondContact O-N 3.5Å; K629-M631 PolarHBondContact O-N 3.23Å; M631-V635 WeakPolarHBondContact O-CB 3.09Å; M631-V635 WeakPolarHBondContact O-CG2 3.23Å; M631-V635 PolarHBondContact O-N 2.89Å; M631-F653 HydrophobicContact CB-CE1 4.08Å; M631-F653 HydrophobicContact CB-CZ 4.12Å; M631-F653 HydrophobicContact CG-CD1 3.8Å; M631-F653 HydrophobicContact CG-CD2 4.24Å; M631-F653 HydrophobicContact CG-CE1 3.67Å; M631-F653 HydrophobicContact CG-CE2 4.13Å; M631-F653 HydrophobicContact CG-CG 4.09Å; M631-F653 HydrophobicContact CG-CZ 3.84Å; M631-F653 HydrophobicContact SD-CD1 4.47Å; M631-F653 HydrophobicContact SD-CD2 3.85Å; M631-F653 HydrophobicContact SD-CE1 4.46Å; M631-F653 HydrophobicContact SD-CE2 3.84Å; M631-F653 HydrophobicContact SD-CG 4.18Å; M631-F653 HydrophobicContact SD-CZ 4.15Å; M631-L660 HydrophobicContact CE-CD1 4.3Å; M631-L660 HydrophobicContact CG-CD1 3.72Å; M631-L660 HydrophobicContact SD-CD1 3.99Å; M631-L720 HydrophobicContact CB-CD2 3.9Å; M631-L720 HydrophobicContact SD-CD2 4.28Å; M631-I723 HydrophobicContact CE-CG2 4.03Å; M631-I723 HydrophobicContact SD-CG2 3.93Å; M631-M727 HydrophobicContact CE-SD 3.95Å
632	L	98.7	Very high	97.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63.2	-44.7	174.2	-68.7	177.3	0	0	0	112.3	W628 K629 V635 H636 L720 I782 L785 L786 V791	W628-L632 HydrophobicContact CD2-CD1 4.44Å; W628-L632 HydrophobicContact CD2-CG 4.36Å; W628-L632 HydrophobicContact CH2-CD2 4.16Å; W628-L632 HydrophobicContact CZ2-CD1 4.16Å; W628-L632 HydrophobicContact CZ2-CD2 3.84Å; W628-L632 HydrophobicContact CZ2-CG 4.16Å; W628-L632 WeakPolarHBondContact O-CG 3.37Å; W628-L632 PolarHBondContact O-N 3.15Å; K629-L632 PolarHBondContact O-N 3.1Å; L632-V635 PolarHBondContact O-N 3.24Å; L632-H636 WeakPolarHBondContact O-CB 3.38Å; L632-H636 PolarHBondContact O-N 3.25Å; L632-L720 HydrophobicContact CD2-CD1 4.27Å; L632-I782 HydrophobicContact CD2-CD1 3.73Å; L632-I782 HydrophobicContact CD2-CG2 4.26Å; L632-L785 HydrophobicContact CD1-CB 3.94Å; L632-L785 HydrophobicContact CD2-CB 3.9Å; L632-L785 HydrophobicContact CD2-CD1 3.89Å; L632-L786 HydrophobicContact CB-CD2 3.66Å; L632-L786 HydrophobicContact CB-CG 4.15Å; L632-L786 HydrophobicContact CD1-CD2 4.18Å; L632-L786 HydrophobicContact CD1-CG 4.46Å; L632-V791 HydrophobicContact CD1-CG2 3.92Å
633	E	98.4	Very high	97.3	Very high	48 Å²	48	30 Å²	30	22%	0.224	16%	0.16	C	C	.	.	H	α-helix	trans	-61.4	-44.6	177.4	-75.3	172.2	-174.1	0	0	112	K584 K629 N630 T637 L786	K584-E633 VanDerWaalsContact CE-OE2 3.31Å; K584-E633 WeakPolarHBondContact CE-OE2 3.28Å; K584-E633 HydrophobicContact CG-CB 3.93Å; K584-E633 WeakPolarHBondContact CG-OE2 3.27Å; K584-E633 IonicContact NZ-OE2 2.7Å; K584-E633 PolarHBondContact NZ-OE2 2.97Å; K629-E633 WeakPolarHBondContact CE-OE1 3.39Å; K629-E633 HydrophobicContact CG-CG 4.48Å; K629-E633 WeakPolarHBondContact CG-OE1 3.33Å; K629-E633 IonicContact NZ-OE1 2.71Å; K629-E633 WeakPolarHBondContact O-CG 3.5Å; K629-E633 PolarHBondContact O-N 2.84Å; N630-E633 PolarHBondContact O-N 2.76Å; E633-T637 PolarHBondContact O-N 3.15Å; E633-T637 VanDerWaalsContact O-N 3.16Å; E633-T637 PolarHBondContact O-OG1 3Å; E633-L786 HydrophobicContact CG-CD2 4.43Å
634	A	98.5	Very high	97.2	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.008	16%	0.162	C	C	.	.	H	α-helix	trans	-63	-50.6	176.7	0	0	0	0	0	112	K584 I585 N630 H636 T637 I638 L662	K584-A634 HydrophobicContact CB-CB 3.89Å; K584-A634 WeakPolarHBondContact O-CB 3.41Å; I585-A634 HydrophobicContact CD1-CB 4.16Å; N630-A634 WeakPolarHBondContact O-CB 3.13Å; N630-A634 PolarHBondContact O-N 2.89Å; A634-H636 PolarHBondContact O-N 3.12Å; A634-T637 WeakPolarHBondContact O-CB 3.24Å; A634-T637 PolarHBondContact O-N 2.94Å; A634-I638 PolarHBondContact O-N 3.22Å; A634-L662 HydrophobicContact CB-CB 3.91Å
635	V	98.4	Very high	97.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-69.8	-33.5	-177.5	174.4	0	0	0	0	111.6	M631 L632 T637 I638 H639 L648 F653 D716 L720 I782	M631-V635 WeakPolarHBondContact O-CB 3.09Å; M631-V635 WeakPolarHBondContact O-CG2 3.23Å; M631-V635 PolarHBondContact O-N 2.89Å; L632-V635 PolarHBondContact O-N 3.24Å; V635-T637 VanDerWaalsContact C-N 3.3Å; V635-T637 PolarHBondContact O-N 3.25Å; V635-I638 WeakPolarHBondContact O-CG1 3.41Å; V635-I638 PolarHBondContact O-N 3.38Å; V635-H639 VanDerWaalsContact CG1-CE1 3.46Å; V635-H639 WeakPolarHBondContact CG1-CE1 3.4Å; V635-H639 WeakPolarHBondContact CG1-NE2 3.41Å; V635-H639 WeakPolarHBondContact O-CB 3.34Å; V635-H639 PolarHBondContact O-CD2 2.96Å; V635-H639 VanDerWaalsContact O-CG 3.23Å; V635-H639 PolarHBondContact O-N 3.12Å; V635-H639 VanDerWaalsContact O-N 3.07Å; V635-L648 HydrophobicContact CG1-CD1 4.41Å; V635-L648 HydrophobicContact CG2-CD1 3.85Å; V635-L648 HydrophobicContact CG2-CD2 4.48Å; V635-F653 HydrophobicContact CG2-CZ 4.17Å; V635-D716 HydrophobicContact CG1-CB 4.09Å; V635-L720 HydrophobicContact CB-CD1 4.1Å; V635-L720 HydrophobicContact CG1-CD1 4.08Å; V635-L720 HydrophobicContact CG2-CD1 4.07Å; V635-L720 HydrophobicContact CG2-CD2 4.32Å; V635-I782 HydrophobicContact CG1-CD1 4.12Å; V635-I782 HydrophobicContact CG1-CG1 4.33Å
636	H	98.5	Very high	96.7	Very high	44 Å²	44	27.8 Å²	27.8	20%	0.204	16%	0.157	C	C	.	.	H	α-helix	trans	-62	-40.2	171.9	-165	32	0	0	0	112	L632 A634 I638 H639 Q640 I782 L786	L632-H636 WeakPolarHBondContact O-CB 3.38Å; L632-H636 PolarHBondContact O-N 3.25Å; A634-H636 PolarHBondContact O-N 3.12Å; H636-I638 PolarHBondContact O-N 3.43Å; H636-H639 PolarHBondContact O-N 3.48Å; H636-Q640 PolarHBondContact CD2-NE2 2.83Å; H636-Q640 VanDerWaalsContact CD2-NE2 3.29Å; H636-Q640 PolarHBondContact NE2-NE2 2.98Å; H636-Q640 WeakPolarHBondContact O-CG 3.48Å; H636-Q640 PolarHBondContact O-N 3.01Å; H636-I782 HydrophobicContact CB-CG2 3.59Å; H636-L786 HydrophobicContact CB-CD1 4.05Å
637	T	98.4	Very high	96.4	Very high	12 Å²	12	28.4 Å²	28.4	7%	0.074	16%	0.158	C	C	.	.	H	α-helix	trans	-62	-41.3	-178.8	-55.7	0	0	0	0	111.8	L578 H581 S582 E633 A634 V635 H641	L578-T637 HydrophobicContact CD2-CG2 4.3Å; H581-T637 HydrophobicContact CB-CG2 3.81Å; S582-T637 VanDerWaalsContact CB-OG1 3.25Å; S582-T637 WeakPolarHBondContact CB-OG1 3.48Å; E633-T637 PolarHBondContact O-N 3.15Å; E633-T637 VanDerWaalsContact O-N 3.16Å; E633-T637 PolarHBondContact O-OG1 3Å; A634-T637 WeakPolarHBondContact O-CB 3.24Å; A634-T637 PolarHBondContact O-N 2.94Å; V635-T637 VanDerWaalsContact C-N 3.3Å; V635-T637 PolarHBondContact O-N 3.25Å; T637-H641 PolarHBondContact O-ND1 3.34Å
638	I	97.4	Very high	96.3	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-72.2	-37.6	176.2	70.3	169.2	0	0	0	111.4	L578 I585 A634 V635 H636 Q640 H641 G642 I643 H645 L662 F665	L578-I638 HydrophobicContact CD1-CG2 3.85Å; I585-I638 HydrophobicContact CD1-CG2 4.29Å; A634-I638 PolarHBondContact O-N 3.22Å; V635-I638 WeakPolarHBondContact O-CG1 3.41Å; V635-I638 PolarHBondContact O-N 3.38Å; H636-I638 PolarHBondContact O-N 3.43Å; I638-Q640 PolarHBondContact O-N 3.25Å; I638-H641 CarbonylContact O-C 3.59Å; I638-H641 WeakPolarHBondContact O-CA 3.15Å; I638-H641 PolarHBondContact O-N 3.17Å; I638-G642 PolarHBondContact O-N 3.48Å; I638-I643 HydrophobicContact CB-CB 4.03Å; I638-I643 HydrophobicContact CB-CD1 4.26Å; I638-I643 HydrophobicContact CB-CG2 4.37Å; I638-I643 HydrophobicContact CD1-CG2 4.43Å; I638-I643 WeakPolarHBondContact O-CB 3.37Å; I638-I643 PolarHBondContact O-N 3.36Å; I638-I643 VanDerWaalsContact O-N 3.12Å; I638-H645 HydrophobicContact CD1-CB 3.89Å; I638-L662 HydrophobicContact CD1-CD2 4.13Å; I638-L662 HydrophobicContact CG2-CD2 4.06Å; I638-F665 HydrophobicContact CG2-CD1 3.85Å; I638-F665 HydrophobicContact CG2-CE1 3.78Å; I638-F665 HydrophobicContact CG2-CZ 4.36Å
639	H	97.3	Very high	96.1	Very high	27 Å²	27	29.6 Å²	29.6	13%	0.125	16%	0.163	C	C	.	.	H	α-helix	trans	-63.3	-40.7	176.9	-72.2	-177.5	0	0	0	112.7	V635 H636 H641 G642 I643 P713 D716	V635-H639 VanDerWaalsContact CG1-CE1 3.46Å; V635-H639 WeakPolarHBondContact CG1-CE1 3.4Å; V635-H639 WeakPolarHBondContact CG1-NE2 3.41Å; V635-H639 WeakPolarHBondContact O-CB 3.34Å; V635-H639 PolarHBondContact O-CD2 2.96Å; V635-H639 VanDerWaalsContact O-CG 3.23Å; V635-H639 PolarHBondContact O-N 3.12Å; V635-H639 VanDerWaalsContact O-N 3.07Å; H636-H639 PolarHBondContact O-N 3.48Å; H639-H641 PolarHBondContact O-N 3Å; H639-H641 VanDerWaalsContact O-N 3.14Å; H639-G642 PolarHBondContact O-N 3.16Å; H639-I643 PolarHBondContact CD2-O 2.86Å; H639-I643 VanDerWaalsContact CD2-O 3.31Å; H639-P713 PolarHBondContact CE1-O 3.32Å; H639-P713 VanDerWaalsContact CE1-O 3.29Å; H639-D716 IonicContact CD2-OD2 2.63Å; H639-D716 IonicContact CE1-OD2 2.73Å; H639-D716 IonicContact NE2-OD2 3.8Å; H639-D716 PolarHBondContact NE2-OD2 3.21Å
640	Q	97.4	Very high	96	Very high	124 Å²	124	25.5 Å²	25.5	58%	0.579	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-22.6	173.7	-74.8	178.3	-1.1	0	0	112.9	H636 I638	H636-Q640 PolarHBondContact CD2-NE2 2.83Å; H636-Q640 VanDerWaalsContact CD2-NE2 3.29Å; H636-Q640 PolarHBondContact NE2-NE2 2.98Å; H636-Q640 WeakPolarHBondContact O-CG 3.48Å; H636-Q640 PolarHBondContact O-N 3.01Å; I638-Q640 PolarHBondContact O-N 3.25Å
641	H	95.7	Very high	95.6	Very high	42 Å²	42	26.8 Å²	26.8	19%	0.194	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	10.1	179.2	-71.6	85.5	0	0	0	113.8	L578 H581 T637 I638 H639 I643	L578-H641 HydrophobicContact CD2-CB 4.17Å; L578-H641 WeakPolarHBondContact CD2-CE1 3.31Å; L578-H641 VanDerWaalsContact CD2-CG 3.45Å; L578-H641 VanDerWaalsContact CD2-ND1 3.25Å; L578-H641 WeakPolarHBondContact CD2-ND1 3.35Å; H581-H641 AromaticContact CD2-CE1 3.88Å; H581-H641 AromaticContact CE1-NE2 3.61Å; H581-H641 AromaticContact CG-CE1 3.78Å; H581-H641 AromaticContact ND1-CE1 3.9Å; H581-H641 AromaticContact ND1-NE2 3.85Å; H581-H641 AromaticContact NE2-NE2 3.77Å; T637-H641 PolarHBondContact O-ND1 3.34Å; I638-H641 CarbonylContact O-C 3.59Å; I638-H641 WeakPolarHBondContact O-CA 3.15Å; I638-H641 PolarHBondContact O-N 3.17Å; H639-H641 PolarHBondContact O-N 3Å; H639-H641 VanDerWaalsContact O-N 3.14Å; H641-I643 VanDerWaalsContact C-N 3.29Å; H641-I643 PolarHBondContact O-N 2.89Å
642	G	92.1	Very high	95.5	Very high	69 Å²	69	27 Å²	27	71%	0.711	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.2	6.2	177.4	0	0	0	0	0	115	I638 H639	I638-G642 PolarHBondContact O-N 3.48Å; H639-G642 PolarHBondContact O-N 3.16Å
643	I	93.8	Very high	95.4	Very high	11 Å²	11	27 Å²	27	6%	0.056	16%	0.159	C	C	.	.			trans	-85.3	138.1	176	-50.4	171.6	0	0	0	108.6	Y574 L578 I638 H639 H641 F665 I667	Y574-I643 HydrophobicContact CD1-CD1 3.64Å; Y574-I643 HydrophobicContact CD1-CG1 4.26Å; Y574-I643 HydrophobicContact CD2-CD1 4.31Å; Y574-I643 HydrophobicContact CE1-CD1 4.14Å; Y574-I643 HydrophobicContact CE1-CG1 4.24Å; Y574-I643 HydrophobicContact CG-CD1 3.74Å; L578-I643 HydrophobicContact CD1-CD1 4.09Å; I638-I643 HydrophobicContact CB-CB 4.03Å; I638-I643 HydrophobicContact CB-CD1 4.26Å; I638-I643 HydrophobicContact CB-CG2 4.37Å; I638-I643 HydrophobicContact CD1-CG2 4.43Å; I638-I643 WeakPolarHBondContact O-CB 3.37Å; I638-I643 PolarHBondContact O-N 3.36Å; I638-I643 VanDerWaalsContact O-N 3.12Å; H639-I643 PolarHBondContact CD2-O 2.86Å; H639-I643 VanDerWaalsContact CD2-O 3.31Å; H641-I643 VanDerWaalsContact C-N 3.29Å; H641-I643 PolarHBondContact O-N 2.89Å; I643-F665 HydrophobicContact CD1-CD2 4.22Å; I643-F665 HydrophobicContact CG2-CB 4.32Å; I643-I667 HydrophobicContact CG2-CD1 4.42Å
644	V	93.5	Very high	95.3	Very high	35 Å²	35	26.2 Å²	26.2	21%	0.212	16%	0.156	C	C	.	.			trans	-123	125.8	165.8	179.4	0	0	0	0	106.6	I711 S712 P713 D716	V644-I711 HydrophobicContact CG1-CG2 3.88Å; V644-S712 VanDerWaalsContact CG1-O 3.3Å; V644-S712 WeakPolarHBondContact CG1-O 3.37Å; V644-P713 HydrophobicContact CG2-CG 4.02Å; V644-D716 WeakPolarHBondContact CG1-OD2 3.34Å
645	H	94.1	Very high	95.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.158	C	C	.	.			trans	-75	-36.2	-170.6	-177	-66.1	0	0	0	112.1	I638 D647 L648 D664 D716	I638-H645 HydrophobicContact CD1-CB 3.89Å; H645-D647 VanDerWaalsContact CE1-C 3.47Å; H645-D647 PolarHBondContact CE1-O 3.45Å; H645-D647 VanDerWaalsContact CE1-O 3.31Å; H645-D647 VanDerWaalsContact ND1-C 3.32Å; H645-D647 PolarHBondContact ND1-N 3.04Å; H645-D647 PolarHBondContact O-N 3.17Å; H645-L648 HydrophobicContact CB-CD1 4.37Å; H645-L648 HydrophobicContact CB-CD2 3.98Å; H645-L648 HydrophobicContact CB-CG 3.82Å; H645-L648 VanDerWaalsContact CG-CD2 3.46Å; H645-L648 PolarHBondContact ND1-N 2.95Å; H645-D664 PolarHBondContact CD2-O 3.33Å; H645-D664 PolarHBondContact NE2-O 2.94Å; H645-D664 IonicContact NE2-OD1 2.81Å; H645-D716 PolarHBondContact N-OD1 3.18Å; H645-D716 PolarHBondContact N-OD2 3.45Å
646	S	90.1	Very high	95.2	Very high	28 Å²	28	26.8 Å²	26.8	20%	0.196	16%	0.159	C	C	.	.	S	Bend	trans	64.7	-27.7	176.5	73.4	0	0	0	0	117.6	Q670 D716	S646-Q670 PolarHBondContact OG-NE2 2.83Å; S646-D716 PolarHBondContact N-OD1 3.21Å
647	D	90.1	Very high	94.9	Very high	47 Å²	47	31.1 Å²	31.1	25%	0.251	18%	0.184	S	C	.	.			trans	-119	39.5	-177.8	-177	29.1	0	0	0	112.6	H645 K649 N652 T686	H645-D647 VanDerWaalsContact CE1-C 3.47Å; H645-D647 PolarHBondContact CE1-O 3.45Å; H645-D647 VanDerWaalsContact CE1-O 3.31Å; H645-D647 VanDerWaalsContact ND1-C 3.32Å; H645-D647 PolarHBondContact ND1-N 3.04Å; H645-D647 PolarHBondContact O-N 3.17Å; D647-K649 PolarHBondContact O-N 3.15Å; D647-K649 PolarHBondContact O-NZ 2.97Å; D647-K649 IonicContact OD1-NZ 3.47Å; D647-K649 PolarHBondContact OD1-NZ 3.31Å; D647-K649 IonicContact OD2-NZ 3.7Å; D647-K649 PolarHBondContact OD2-NZ 3.29Å; D647-N652 PolarHBondContact O-OD1 3.16Å; D647-T686 WeakPolarHBondContact OD1-CG2 3.37Å
648	L	95.3	Very high	94.6	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	20%	0.202	C	C	.	.			trans	-70.5	127.4	-178.7	-77.4	175.3	0	0	0	112	V635 H645 F653 L662 Y689 D716 L720	V635-L648 HydrophobicContact CG1-CD1 4.41Å; V635-L648 HydrophobicContact CG2-CD1 3.85Å; V635-L648 HydrophobicContact CG2-CD2 4.48Å; H645-L648 HydrophobicContact CB-CD1 4.37Å; H645-L648 HydrophobicContact CB-CD2 3.98Å; H645-L648 HydrophobicContact CB-CG 3.82Å; H645-L648 VanDerWaalsContact CG-CD2 3.46Å; H645-L648 PolarHBondContact ND1-N 2.95Å; L648-F653 HydrophobicContact CD2-CE2 4.1Å; L648-F653 HydrophobicContact CD2-CZ 3.98Å; L648-L662 HydrophobicContact CD2-CD1 4.09Å; L648-Y689 WeakPolarHBondContact O-CB 3.43Å; L648-D716 HydrophobicContact CD1-CB 3.69Å; L648-L720 HydrophobicContact CD1-CD2 4.31Å; L648-L720 HydrophobicContact CD1-CG 4.05Å
649	K	94.6	Very high	94.5	Very high	33 Å²	33	35.9 Å²	35.9	14%	0.143	22%	0.218	C	C	.	.			trans	-147.9	166.6	175.1	52.6	-173.8	156.8	-63.6	0	109.3	D647 A651 N652 T686 Y689	D647-K649 PolarHBondContact O-N 3.15Å; D647-K649 PolarHBondContact O-NZ 2.97Å; D647-K649 IonicContact OD1-NZ 3.47Å; D647-K649 PolarHBondContact OD1-NZ 3.31Å; D647-K649 IonicContact OD2-NZ 3.7Å; D647-K649 PolarHBondContact OD2-NZ 3.29Å; K649-A651 HydrophobicContact CG-CB 4.27Å; K649-A651 PolarHBondContact O-N 3.43Å; K649-N652 WeakPolarHBondContact CG-OD1 3.3Å; K649-N652 PolarHBondContact N-OD1 3.03Å; K649-N652 PolarHBondContact O-N 3.36Å; K649-N652 PolarHBondContact O-OD1 3.2Å; K649-N652 VanDerWaalsContact O-OD1 3.12Å; K649-T686 HydrophobicContact CD-CG2 4.5Å; K649-Y689 HydrophobicContact CB-CD2 3.83Å; K649-Y689 HydrophobicContact CB-CE2 4.1Å; K649-Y689 HydrophobicContact CB-CG 4.16Å
650	P	95.6	Very high	94.5	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.013	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-64.6	-8.6	-177.5	-14.9	26.3	0	0	0	114.3	L609 N610 L613 Y689 I723 Y726	L609-P650 HydrophobicContact CB-CB 4.29Å; L609-P650 WeakPolarHBondContact CB-O 3.38Å; L609-P650 HydrophobicContact CD2-CB 4.03Å; L609-P650 HydrophobicContact CG-CB 4Å; L609-P650 PolarHBondContact N-O 3.29Å; N610-P650 HydrophobicContact CB-CB 3.9Å; N610-P650 PolarHBondContact N-O 3.27Å; L613-P650 HydrophobicContact CD1-CB 3.91Å; L613-P650 HydrophobicContact CD1-CG 4.11Å; P650-Y689 WeakPolarHBondContact CD-OH 3.48Å; P650-Y689 HydrophobicContact CG-CE1 4.05Å; P650-Y689 WeakPolarHBondContact CG-OH 3.2Å; P650-I723 HydrophobicContact CG-CD1 4.45Å; P650-I723 HydrophobicContact CG-CG1 3.98Å; P650-I723 HydrophobicContact CG-CG2 4.22Å; P650-Y726 HydrophobicContact CG-CD1 4.5Å
651	A	91.9	Very high	94.6	Very high	39 Å²	39	29.3 Å²	29.3	32%	0.322	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-77.1	-18.7	172.5	0	0	0	0	0	113.8	N610 K649 F653 I663	N610-A651 HydrophobicContact CB-CB 4.21Å; K649-A651 HydrophobicContact CG-CB 4.27Å; K649-A651 PolarHBondContact O-N 3.43Å; A651-F653 VanDerWaalsContact C-N 3.28Å; A651-I663 WeakPolarHBondContact O-CD1 3.5Å
652	N	94.6	Very high	94.7	Very high	4 Å²	4	27.3 Å²	27.3	2%	0.021	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-80.8	-8.5	176.6	-54.7	104.6	0	0	0	112.9	D647 K649 L662 I663 D664	D647-N652 PolarHBondContact O-OD1 3.16Å; K649-N652 WeakPolarHBondContact CG-OD1 3.3Å; K649-N652 PolarHBondContact N-OD1 3.03Å; K649-N652 PolarHBondContact O-N 3.36Å; K649-N652 PolarHBondContact O-OD1 3.2Å; K649-N652 VanDerWaalsContact O-OD1 3.12Å; N652-L662 HydrophobicContact CB-CD1 3.98Å; N652-L662 WeakPolarHBondContact O-CA 3.47Å; N652-I663 WeakPolarHBondContact O-CG1 3.4Å; N652-I663 PolarHBondContact O-N 2.7Å; N652-D664 WeakPolarHBondContact CB-OD1 3.48Å; N652-D664 VanDerWaalsContact ND2-CG 3.28Å; N652-D664 PolarHBondContact ND2-OD1 3.18Å; N652-D664 PolarHBondContact ND2-OD2 3.07Å; N652-D664 VanDerWaalsContact ND2-OD2 3.08Å
653	F	97.4	Very high	94.8	Very high	1 Å²	1	26.6 Å²	26.6	0%	0.004	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	127.7	-178.2	-63.2	-76	0	0	0	110.9	L609 M631 V635 L648 A651 L660 K661 L662 L720 I723	L609-F653 HydrophobicContact CB-CB 4.15Å; L609-F653 WeakPolarHBondContact CB-O 3.33Å; L609-F653 HydrophobicContact CD2-CB 4.21Å; L609-F653 PolarHBondContact N-O 2.84Å; M631-F653 HydrophobicContact CB-CE1 4.08Å; M631-F653 HydrophobicContact CB-CZ 4.12Å; M631-F653 HydrophobicContact CG-CD1 3.8Å; M631-F653 HydrophobicContact CG-CD2 4.24Å; M631-F653 HydrophobicContact CG-CE1 3.67Å; M631-F653 HydrophobicContact CG-CE2 4.13Å; M631-F653 HydrophobicContact CG-CG 4.09Å; M631-F653 HydrophobicContact CG-CZ 3.84Å; M631-F653 HydrophobicContact SD-CD1 4.47Å; M631-F653 HydrophobicContact SD-CD2 3.85Å; M631-F653 HydrophobicContact SD-CE1 4.46Å; M631-F653 HydrophobicContact SD-CE2 3.84Å; M631-F653 HydrophobicContact SD-CG 4.18Å; M631-F653 HydrophobicContact SD-CZ 4.15Å; V635-F653 HydrophobicContact CG2-CZ 4.17Å; L648-F653 HydrophobicContact CD2-CE2 4.1Å; L648-F653 HydrophobicContact CD2-CZ 3.98Å; A651-F653 VanDerWaalsContact C-N 3.28Å; F653-L660 HydrophobicContact CB-CD1 4.43Å; F653-L660 HydrophobicContact CB-CD2 4.19Å; F653-K661 WeakPolarHBondContact CA-O 2.89Å; F653-L662 HydrophobicContact CD1-CB 4.31Å; F653-L662 HydrophobicContact CD1-CD1 4.28Å; F653-L662 HydrophobicContact CE1-CB 4.09Å; F653-L662 HydrophobicContact CE1-CD1 3.84Å; F653-L662 HydrophobicContact CZ-CD1 4.11Å; F653-L720 HydrophobicContact CE2-CD2 4.24Å; F653-L720 HydrophobicContact CZ-CD2 4.02Å; F653-I723 HydrophobicContact CD2-CD1 4.26Å; F653-I723 HydrophobicContact CE2-CD1 3.88Å
654	L	97.4	Very high	94.6	Very high	30 Å²	30	27.1 Å²	27.1	16%	0.157	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	132.3	-178.3	-174.5	71.7	0	0	0	110	I586 V656 L660 K661 I663	I586-L654 HydrophobicContact CD1-CD2 3.77Å; L654-V656 HydrophobicContact CD2-CG2 4.17Å; L654-V656 HydrophobicContact CG-CG2 4.24Å; L654-L660 WeakPolarHBondContact O-CA 3.39Å; L654-K661 PolarHBondContact N-O 3.31Å; L654-K661 PolarHBondContact O-N 2.76Å; L654-I663 HydrophobicContact CB-CG2 3.46Å; L654-I663 VanDerWaalsContact CB-CG2 3.46Å; L654-I663 HydrophobicContact CD2-CG2 4.15Å; L654-I663 HydrophobicContact CG-CG2 4.42Å
655	I	97.1	Very high	94.4	Very high	9 Å²	9	25.5 Å²	25.5	5%	0.046	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	121.9	172.1	-61.8	170.2	0	0	0	108.1	G605 N606 I607 W612 Y627 M659 L660	G605-I655 CarbonylContact C-O 3.57Å; G605-I655 WeakPolarHBondContact CA-O 3.33Å; N606-I655 PolarHBondContact N-O 3.28Å; N606-I655 PolarHBondContact OD1-O 3.41Å; I607-I655 HydrophobicContact CG2-CB 4.37Å; I607-I655 HydrophobicContact CG2-CD1 4.1Å; I607-I655 PolarHBondContact O-N 3.34Å; W612-I655 HydrophobicContact CB-CD1 3.91Å; W612-I655 VanDerWaalsContact CD1-CD1 3.45Å; W612-I655 HydrophobicContact CD2-CD1 3.84Å; W612-I655 HydrophobicContact CG-CD1 3.48Å; W612-I655 VanDerWaalsContact CG-CD1 3.48Å; Y627-I655 HydrophobicContact CE2-CD1 4.25Å; I655-M659 WeakPolarHBondContact CA-O 3.32Å; I655-L660 HydrophobicContact CB-CD2 4.45Å; I655-L660 HydrophobicContact CD1-CD2 4.46Å; I655-L660 HydrophobicContact CG1-CD2 3.44Å; I655-L660 VanDerWaalsContact CG1-CD2 3.44Å
656	V	95.9	Very high	93.8	Very high	5 Å²	5	25.6 Å²	25.6	3%	0.03	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	117.4	172.3	-163.4	0	0	0	0	108	I586 E603 L654 G658 M659 K661	I586-V656 HydrophobicContact CD1-CG2 4.3Å; E603-V656 HydrophobicContact CG-CG1 3.86Å; E603-V656 HydrophobicContact CG-CG2 4.35Å; L654-V656 HydrophobicContact CD2-CG2 4.17Å; L654-V656 HydrophobicContact CG-CG2 4.24Å; V656-G658 PolarHBondContact O-N 3.42Å; V656-M659 PolarHBondContact N-O 2.85Å; V656-M659 PolarHBondContact O-N 2.92Å; V656-K661 HydrophobicContact CB-CD 4.41Å; V656-K661 HydrophobicContact CG2-CD 4.01Å; V656-K661 HydrophobicContact CG2-CG 4.21Å
657	D	92.9	Very high	93.2	Very high	134 Å²	134	26 Å²	26	72%	0.717	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	50	36.3	175.9	-59.2	-30	0	0	0	114.3	N606	N606-D657 PolarHBondContact OD1-N 3.35Å
658	G	91.8	Very high	91.9	Very high	44 Å²	44	24.3 Å²	24.3	45%	0.454	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.9	5.5	179.1	0	0	0	0	0	115.6	Y627 V656	Y627-G658 WeakPolarHBondContact CE1-O 3.32Å; V656-G658 PolarHBondContact O-N 3.42Å
659	M	95.8	Very high	89.9	Confident	68 Å²	68	27.8 Å²	27.8	34%	0.335	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	150.4	172.9	-64	-177.8	-72.7	0	0	111.3	N630 I655 V656	N630-M659 WeakPolarHBondContact OD1-CA 3.38Å; I655-M659 WeakPolarHBondContact CA-O 3.32Å; V656-M659 PolarHBondContact N-O 2.85Å; V656-M659 PolarHBondContact O-N 2.92Å
660	L	97.8	Very high	87.8	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	139.3	168.2	-71	179.5	0	0	0	111.7	L609 Y627 N630 M631 F653 L654 I655	L609-L660 HydrophobicContact CB-CD2 4.05Å; L609-L660 HydrophobicContact CD1-CD1 4.45Å; L609-L660 HydrophobicContact CD1-CD2 4.28Å; L609-L660 HydrophobicContact CD2-CD1 3.84Å; L609-L660 HydrophobicContact CD2-CD2 4.43Å; L609-L660 HydrophobicContact CG-CD2 4.47Å; Y627-L660 HydrophobicContact CD1-CD1 4.23Å; Y627-L660 HydrophobicContact CD1-CG 3.83Å; Y627-L660 HydrophobicContact CD2-CD1 4.32Å; Y627-L660 HydrophobicContact CD2-CG 4.47Å; Y627-L660 HydrophobicContact CE1-CG 4.41Å; Y627-L660 HydrophobicContact CG-CD1 3.78Å; Y627-L660 HydrophobicContact CG-CG 3.88Å; N630-L660 HydrophobicContact CB-CB 3.92Å; N630-L660 PolarHBondContact OD1-N 3.41Å; M631-L660 HydrophobicContact CE-CD1 4.3Å; M631-L660 HydrophobicContact CG-CD1 3.72Å; M631-L660 HydrophobicContact SD-CD1 3.99Å; F653-L660 HydrophobicContact CB-CD1 4.43Å; F653-L660 HydrophobicContact CB-CD2 4.19Å; L654-L660 WeakPolarHBondContact O-CA 3.39Å; I655-L660 HydrophobicContact CB-CD2 4.45Å; I655-L660 HydrophobicContact CD1-CD2 4.46Å; I655-L660 HydrophobicContact CG1-CD2 3.44Å; I655-L660 VanDerWaalsContact CG1-CD2 3.44Å
661	K	98.4	Very high	85.1	Confident	13 Å²	13	34.8 Å²	34.8	6%	0.057	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	139.6	170.7	-54.8	-167.7	-178.3	-171.1	0	111.3	D583 K584 I586 E603 F653 L654 V656	D583-K661 WeakPolarHBondContact O-CD 3.42Å; D583-K661 VanDerWaalsContact O-CE 3.23Å; D583-K661 WeakPolarHBondContact O-CE 3.24Å; K584-K661 CarbonylContact O-C 3.55Å; K584-K661 VanDerWaalsContact O-CA 3.24Å; K584-K661 WeakPolarHBondContact O-CA 3.45Å; I586-K661 HydrophobicContact CD1-CD 4.48Å; E603-K661 IonicContact OE1-NZ 3.96Å; E603-K661 PolarHBondContact OE1-NZ 3.03Å; E603-K661 VanDerWaalsContact OE2-CD 3.28Å; E603-K661 WeakPolarHBondContact OE2-CD 3.46Å; E603-K661 IonicContact OE2-NZ 3.96Å; E603-K661 PolarHBondContact OE2-NZ 2.98Å; F653-K661 WeakPolarHBondContact CA-O 2.89Å; L654-K661 PolarHBondContact N-O 3.31Å; L654-K661 PolarHBondContact O-N 2.76Å; V656-K661 HydrophobicContact CB-CD 4.41Å; V656-K661 HydrophobicContact CG2-CD 4.01Å; V656-K661 HydrophobicContact CG2-CG 4.21Å
662	L	97.9	Very high	82.4	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	131.4	172.5	-178.7	66.1	0	0	0	109.9	K584 I585 I586 A634 I638 L648 N652 F653 D664 F665	K584-L662 PolarHBondContact O-N 3.45Å; I585-L662 HydrophobicContact CD1-CB 4.21Å; I585-L662 HydrophobicContact CD1-CD2 4.27Å; I586-L662 PolarHBondContact N-O 2.86Å; A634-L662 HydrophobicContact CB-CB 3.91Å; I638-L662 HydrophobicContact CD1-CD2 4.13Å; I638-L662 HydrophobicContact CG2-CD2 4.06Å; L648-L662 HydrophobicContact CD2-CD1 4.09Å; N652-L662 HydrophobicContact CB-CD1 3.98Å; N652-L662 WeakPolarHBondContact O-CA 3.47Å; F653-L662 HydrophobicContact CD1-CB 4.31Å; F653-L662 HydrophobicContact CD1-CD1 4.28Å; F653-L662 HydrophobicContact CE1-CB 4.09Å; F653-L662 HydrophobicContact CE1-CD1 3.84Å; F653-L662 HydrophobicContact CZ-CD1 4.11Å; L662-D664 WeakPolarHBondContact CD1-O 3.41Å; L662-D664 WeakPolarHBondContact CG-O 3.47Å; L662-F665 HydrophobicContact CD2-CD1 3.91Å; L662-F665 HydrophobicContact CD2-CE1 4.03Å; L662-F665 HydrophobicContact CG-CD1 4.4Å; L662-F665 HydrophobicContact CG-CE1 4.44Å
663	I	94	Very high	79.4	Confident	53 Å²	53	43 Å²	43	27%	0.272	24%	0.236	S	C	.	.			trans	-103.8	-20.4	-171.5	72.8	-170.9	0	0	0	115.4	I586 A651 N652 L654	I586-I663 HydrophobicContact CB-CG2 4.33Å; I586-I663 HydrophobicContact CG2-CB 4.44Å; A651-I663 WeakPolarHBondContact O-CD1 3.5Å; N652-I663 WeakPolarHBondContact O-CG1 3.4Å; N652-I663 PolarHBondContact O-N 2.7Å; L654-I663 HydrophobicContact CB-CG2 3.46Å; L654-I663 VanDerWaalsContact CB-CG2 3.46Å; L654-I663 HydrophobicContact CD2-CG2 4.15Å; L654-I663 HydrophobicContact CG-CG2 4.42Å
664	D	89.9	Confident	76.1	Confident	22 Å²	22	50.2 Å²	50.2	12%	0.118	27%	0.274	C	S	.	.			trans	-149	164	-177.4	58.4	-23	0	0	0	110.2	H645 N652 L662	H645-D664 PolarHBondContact CD2-O 3.33Å; H645-D664 PolarHBondContact NE2-O 2.94Å; H645-D664 IonicContact NE2-OD1 2.81Å; N652-D664 WeakPolarHBondContact CB-OD1 3.48Å; N652-D664 VanDerWaalsContact ND2-CG 3.28Å; N652-D664 PolarHBondContact ND2-OD1 3.18Å; N652-D664 PolarHBondContact ND2-OD2 3.07Å; N652-D664 VanDerWaalsContact ND2-OD2 3.08Å; L662-D664 WeakPolarHBondContact CD1-O 3.41Å; L662-D664 WeakPolarHBondContact CG-O 3.47Å
665	F	89.6	Confident	72.7	Confident	1 Å²	1	53.3 Å²	53.3	0%	0.004	29%	0.294	C	S	.	.			trans	-115.9	9	-173.5	-60.5	-27.5	0	0	0	113.5	E571 L575 L578 I585 I638 I643 L662 I667	E571-F665 PolarHBondContact OE1-N 2.94Å; L575-F665 HydrophobicContact CB-CE2 4Å; L575-F665 HydrophobicContact CB-CZ 4.38Å; L575-F665 HydrophobicContact CD1-CE2 4.32Å; L575-F665 HydrophobicContact CD1-CZ 3.84Å; L578-F665 HydrophobicContact CB-CZ 4.46Å; L578-F665 HydrophobicContact CD1-CE1 4.39Å; L578-F665 HydrophobicContact CD1-CE2 3.74Å; L578-F665 HydrophobicContact CD1-CZ 3.64Å; I585-F665 HydrophobicContact CD1-CE1 4.2Å; I585-F665 HydrophobicContact CG2-CE1 4.1Å; I585-F665 HydrophobicContact CG2-CZ 3.84Å; I638-F665 HydrophobicContact CG2-CD1 3.85Å; I638-F665 HydrophobicContact CG2-CE1 3.78Å; I638-F665 HydrophobicContact CG2-CZ 4.36Å; I643-F665 HydrophobicContact CD1-CD2 4.22Å; I643-F665 HydrophobicContact CG2-CB 4.32Å; L662-F665 HydrophobicContact CD2-CD1 3.91Å; L662-F665 HydrophobicContact CD2-CE1 4.03Å; L662-F665 HydrophobicContact CG-CD1 4.4Å; L662-F665 HydrophobicContact CG-CE1 4.44Å; F665-I667 HydrophobicContact CB-CD1 3.99Å; F665-I667 HydrophobicContact CB-CG1 4.05Å; F665-I667 HydrophobicContact CD2-CD1 4.49Å; F665-I667 PolarHBondContact O-N 3.1Å; F665-I667 VanDerWaalsContact O-N 3.08Å
666	G	80.8	Confident	69.5	Low	3 Å²	3	59.9 Å²	59.9	3%	0.031	34%	0.335	C	S	.	.	S	Bend	trans	74.7	-15.2	-177.1	0	0	0	0	0	114.6	A668 N669 Q670	G666-A668 PolarHBondContact O-N 2.79Å; G666-N669 PolarHBondContact O-N 3.01Å; G666-Q670 PolarHBondContact O-N 3.16Å; G666-Q670 VanDerWaalsContact O-N 3.11Å
667	I	78.3	Confident	66.3	Low	35 Å²	35	62.7 Å²	62.7	18%	0.179	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-49.6	-173.7	-61.4	173	0	0	0	111.5	N570 E571 Y574 I643 F665 N669 Q670	N570-I667 HydrophobicContact CB-CG2 4.09Å; E571-I667 HydrophobicContact CB-CB 4.28Å; Y574-I667 HydrophobicContact CD2-CD1 3.7Å; Y574-I667 HydrophobicContact CE2-CD1 4.3Å; Y574-I667 HydrophobicContact CG-CD1 4.44Å; I643-I667 HydrophobicContact CG2-CD1 4.42Å; F665-I667 HydrophobicContact CB-CD1 3.99Å; F665-I667 HydrophobicContact CB-CG1 4.05Å; F665-I667 HydrophobicContact CD2-CD1 4.49Å; F665-I667 PolarHBondContact O-N 3.1Å; F665-I667 VanDerWaalsContact O-N 3.08Å; I667-N669 VanDerWaalsContact C-N 3.32Å; I667-N669 PolarHBondContact O-N 3.13Å; I667-Q670 PolarHBondContact O-N 2.86Å
668	A	63.1	Low	63.6	Low	13 Å²	13	62.3 Å²	62.3	11%	0.107	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-20.5	-179.3	0	0	0	0	0	114	S567 Y568 G666	S567-A668 WeakPolarHBondContact OG-CA 3.04Å; Y568-A668 HydrophobicContact CD1-CB 3.59Å; Y568-A668 HydrophobicContact CE1-CB 3.63Å; Y568-A668 HydrophobicContact CG-CB 4.39Å; G666-A668 PolarHBondContact O-N 2.79Å
669	N	53.7	Low	60.8	Low	73 Å²	73	65.4 Å²	65.4	39%	0.39	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-21.6	176.7	-68.5	-54.5	0	0	0	112.7	G666 I667 M671	G666-N669 PolarHBondContact O-N 3.01Å; I667-N669 VanDerWaalsContact C-N 3.32Å; I667-N669 PolarHBondContact O-N 3.13Å; N669-M671 VanDerWaalsContact C-N 3.28Å; N669-M671 PolarHBondContact O-N 2.73Å
670	Q	50.1	Low	57.9	Low	111 Å²	111	67 Å²	67	52%	0.519	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-6.3	-173.9	-151.5	177.5	71.5	0	0	113.7	S646 G666 I667	S646-Q670 PolarHBondContact OG-NE2 2.83Å; G666-Q670 PolarHBondContact O-N 3.16Å; G666-Q670 VanDerWaalsContact O-N 3.11Å; I667-Q670 PolarHBondContact O-N 2.86Å
671	M	38	Very low	54.8	Low	71 Å²	71	74.8 Å²	74.8	35%	0.35	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	18.8	-165.2	-66.5	-110.7	88.4	0	0	115.1	Q563 N669 P673	Q563-M671 HydrophobicContact CG-CB 4.28Å; Q563-M671 HydrophobicContact CG-CE 4.04Å; Q563-M671 HydrophobicContact CG-SD 3.64Å; Q563-M671 PolarHBondContact NE2-O 3.19Å; N669-M671 VanDerWaalsContact C-N 3.28Å; N669-M671 PolarHBondContact O-N 2.73Å; M671-P673 WeakPolarHBondContact O-CD 3.39Å
672	Q	35.1	Very low	52	Low	127 Å²	127	77.7 Å²	77.7	59%	0.593	43%	0.43	S	S	*	.			trans	-106.8	71.4	167.2	-66.8	-169.1	-12.3	0	0	112.2
673	P	32.3	Very low	49.2	Very low	89 Å²	89	84.4 Å²	84.4	58%	0.578	46%	0.461	S	S	*	.			trans	-78.6	-32.9	179.7	31.1	-35.3	0	0	0	114.2	M671	M671-P673 WeakPolarHBondContact O-CD 3.39Å
674	D	28.5	Very low	46.4	Very low	152 Å²	152	86.6 Å²	86.6	81%	0.813	48%	0.477	S	S	*	.	S	Bend	trans	-116	11.8	-160.8	-73.1	-61	0	0	0	115
675	T	25.8	Very low	44.5	Very low	95 Å²	95	87.3 Å²	87.3	58%	0.583	49%	0.49	S	S	*	.			trans	-113.1	117.5	177	-40.5	0	0	0	0	111.3	S677	T675-S677 WeakPolarHBondContact CB-OG 3.45Å; T675-S677 WeakPolarHBondContact CG2-OG 3.47Å; T675-S677 PolarHBondContact O-N 3.1Å; T675-S677 PolarHBondContact O-OG 2.89Å
676	T	31	Very low	43.3	Very low	147 Å²	147	88.4 Å²	88.4	90%	0.902	50%	0.497	S	S	*	.			trans	-74.7	42.6	168.2	45.4	0	0	0	0	112	I678	T676-I678 PolarHBondContact O-N 3.07Å
677	S	27.2	Very low	43.4	Very low	64 Å²	64	89.3 Å²	89.3	45%	0.448	50%	0.502	S	S	.	.			trans	-82.5	100.7	-176.3	43.3	0	0	0	0	112	T675 V679	T675-S677 WeakPolarHBondContact CB-OG 3.45Å; T675-S677 WeakPolarHBondContact CG2-OG 3.47Å; T675-S677 PolarHBondContact O-N 3.1Å; T675-S677 PolarHBondContact O-OG 2.89Å; S677-V679 PolarHBondContact O-N 3.11Å
678	I	36.9	Very low	44.1	Very low	126 Å²	126	88.6 Å²	88.6	65%	0.646	50%	0.498	S	S	*	.			trans	-57.6	93.8	163.8	-58	146.2	0	0	0	110.2	T676	T676-I678 PolarHBondContact O-N 3.07Å
679	V	33.8	Very low	45.6	Very low	110 Å²	110	88.9 Å²	88.9	67%	0.667	50%	0.497	S	S	*	.			trans	-156.2	109.9	147.6	-177.6	0	0	0	0	110	S677	S677-V679 PolarHBondContact O-N 3.11Å
680	K	34.2	Very low	47.5	Very low	102 Å²	102	88.5 Å²	88.5	44%	0.443	49%	0.493	S	S	.	.			trans	167.8	114.8	141	-95.5	159.3	-175	171.9	0	111.2	S682 Q683	K680-S682 PolarHBondContact O-N 3.3Å; K680-Q683 PolarHBondContact O-N 2.95Å
681	D	32.8	Very low	49.7	Very low	163 Å²	163	83.4 Å²	83.4	87%	0.872	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-14.7	164.8	-54.8	-83.2	0	0	0	112.9	Q683	D681-Q683 VanDerWaalsContact C-N 3.31Å; D681-Q683 PolarHBondContact O-N 3.28Å
682	S	38.9	Very low	52.3	Low	74 Å²	74	80.1 Å²	80.1	52%	0.517	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-32	172.7	-35.8	0	0	0	0	113.6	K680 V684 G685 T686	K680-S682 PolarHBondContact O-N 3.3Å; S682-V684 PolarHBondContact O-N 3.33Å; S682-G685 PolarHBondContact O-N 3.03Å; S682-T686 PolarHBondContact O-N 2.97Å; S682-T686 PolarHBondContact O-OG1 3.41Å; S682-T686 VanDerWaalsContact O-OG1 3.09Å
683	Q	38.8	Very low	55	Low	141 Å²	141	74.3 Å²	74.3	66%	0.659	43%	0.426	S	S	*	.	H	α-helix	trans	-73.6	-32	-163.7	-152	167.6	14.9	0	0	113	K680 D681 G685 T686	K680-Q683 PolarHBondContact O-N 2.95Å; D681-Q683 VanDerWaalsContact C-N 3.31Å; D681-Q683 PolarHBondContact O-N 3.28Å; Q683-G685 PolarHBondContact O-N 3.33Å; Q683-T686 PolarHBondContact O-N 2.82Å; Q683-T686 VanDerWaalsContact O-N 3.12Å
684	V	36.8	Very low	57.7	Low	100 Å²	100	71.2 Å²	71.2	61%	0.606	41%	0.408	S	S	*	.	H	α-helix	trans	-58.8	-29.2	176.5	-173.1	0	0	0	0	112.4	S682 Q740	S682-V684 PolarHBondContact O-N 3.33Å; V684-Q740 PolarHBondContact O-NE2 3.28Å
685	G	48.5	Very low	60.5	Low	37 Å²	37	64.9 Å²	64.9	38%	0.381	37%	0.374	S	S	.	.	H	α-helix	trans	-93.3	-16.4	177.6	0	0	0	0	0	115.3	S682 Q683 N688	S682-G685 PolarHBondContact O-N 3.03Å; Q683-G685 PolarHBondContact O-N 3.33Å; G685-N688 PolarHBondContact O-ND2 2.77Å
686	T	64.1	Low	63.1	Low	24 Å²	24	64.4 Å²	64.4	15%	0.147	36%	0.364	C	S	.	.	H	α-helix	trans	-74.2	-34.6	-172.5	-63	0	0	0	0	113.1	D647 K649 S682 Q683 N688 Y689	D647-T686 WeakPolarHBondContact OD1-CG2 3.37Å; K649-T686 HydrophobicContact CD-CG2 4.5Å; S682-T686 PolarHBondContact O-N 2.97Å; S682-T686 PolarHBondContact O-OG1 3.41Å; S682-T686 VanDerWaalsContact O-OG1 3.09Å; Q683-T686 PolarHBondContact O-N 2.82Å; Q683-T686 VanDerWaalsContact O-N 3.12Å; T686-N688 PolarHBondContact O-N 3.3Å; T686-Y689 PolarHBondContact O-N 3.23Å
687	V	84.1	Confident	65	Low	22 Å²	22	59.9 Å²	59.9	13%	0.133	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-55.1	-28.1	-177.6	-176.3	0	0	0	0	112.9	Y689 M690 K743 L744 I747	V687-Y689 PolarHBondContact O-N 3.35Å; V687-Y689 VanDerWaalsContact O-N 3.08Å; V687-M690 VanDerWaalsContact O-CB 3.31Å; V687-M690 WeakPolarHBondContact O-CB 3.45Å; V687-M690 PolarHBondContact O-N 2.99Å; V687-K743 HydrophobicContact CB-CD 4.47Å; V687-K743 HydrophobicContact CG1-CD 4.06Å; V687-L744 HydrophobicContact CG1-CD2 3.65Å; V687-L744 HydrophobicContact CG1-CG 4.11Å; V687-I747 HydrophobicContact CG1-CD1 4.32Å
688	N	92.3	Very high	66.9	Low	19 Å²	19	64.9 Å²	64.9	10%	0.102	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-60.9	-18.3	179.4	-60.4	-18.6	0	0	0	114.3	G685 T686 C722 T732 K743	G685-N688 PolarHBondContact O-ND2 2.77Å; T686-N688 PolarHBondContact O-N 3.3Å; N688-C722 PolarHBondContact O-SG 3.42Å; N688-C722 VanDerWaalsContact O-SG 3.35Å; N688-T732 HydrophobicContact CB-CG2 4.27Å; N688-K743 WeakPolarHBondContact OD1-CD 3.35Å; N688-K743 WeakPolarHBondContact OD1-CE 3.23Å; N688-K743 PolarHBondContact OD1-NZ 3.42Å
689	Y	95.6	Very high	67.8	Low	20 Å²	20	62.8 Å²	62.8	8%	0.078	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-108.6	-0.4	179	-52.7	-86	0	0	0	112.8	L648 K649 P650 T686 V687 S719 C722 I723 T732	L648-Y689 WeakPolarHBondContact O-CB 3.43Å; K649-Y689 HydrophobicContact CB-CD2 3.83Å; K649-Y689 HydrophobicContact CB-CE2 4.1Å; K649-Y689 HydrophobicContact CB-CG 4.16Å; P650-Y689 WeakPolarHBondContact CD-OH 3.48Å; P650-Y689 HydrophobicContact CG-CE1 4.05Å; P650-Y689 WeakPolarHBondContact CG-OH 3.2Å; T686-Y689 PolarHBondContact O-N 3.23Å; V687-Y689 PolarHBondContact O-N 3.35Å; V687-Y689 VanDerWaalsContact O-N 3.08Å; Y689-S719 WeakPolarHBondContact O-CB 3.18Å; Y689-S719 PolarHBondContact O-OG 3.2Å; Y689-C722 HydrophobicContact CD1-CB 3.61Å; Y689-C722 HydrophobicContact CE1-CB 4.19Å; Y689-C722 HydrophobicContact CG-CB 4.43Å; Y689-I723 HydrophobicContact CD1-CG1 3.8Å; Y689-I723 HydrophobicContact CE1-CG1 3.72Å; Y689-T732 HydrophobicContact CE1-CG2 3.74Å; Y689-T732 HydrophobicContact CE2-CG2 4.48Å
690	M	93.7	Very high	68.5	Low	65 Å²	65	61.1 Å²	61.1	32%	0.32	34%	0.342	S	S	.	.			trans	-73.1	132.7	-174.9	-171.7	174.9	-73.8	0	0	111.3	V687 A694 I695 W718 L744	V687-M690 VanDerWaalsContact O-CB 3.31Å; V687-M690 WeakPolarHBondContact O-CB 3.45Å; V687-M690 PolarHBondContact O-N 2.99Å; M690-A694 HydrophobicContact CG-CB 4.48Å; M690-I695 HydrophobicContact CG-CD1 4.36Å; M690-I695 HydrophobicContact CG-CG1 4.03Å; M690-I695 HydrophobicContact SD-CD1 4.25Å; M690-I695 HydrophobicContact SD-CG1 3.66Å; M690-W718 PolarHBondContact O-NE1 2.93Å; M690-L744 HydrophobicContact SD-CD2 4.04Å
691	P	94.6	Very high	68.9	Low	4 Å²	4	61.1 Å²	61.1	3%	0.026	36%	0.355	C	S	.	.			trans	-83.5	149.1	-179	33.5	-35.1	0	0	0	112.8	E693 A694 W718	P691-E693 VanDerWaalsContact C-N 3.28Å; P691-E693 PolarHBondContact O-N 3.15Å; P691-A694 HydrophobicContact CG-CB 4Å; P691-A694 PolarHBondContact O-N 2.86Å; P691-A694 VanDerWaalsContact O-N 3.13Å; P691-W718 VanDerWaalsContact CA-CD1 3.43Å; P691-W718 HydrophobicContact CB-CB 4.01Å; P691-W718 HydrophobicContact CB-CG 3.87Å
692	P	94.3	Very high	69.5	Low	1 Å²	1	65.6 Å²	65.6	1%	0.006	36%	0.36	C	S	.	.	H	α-helix	trans	-64.4	-27.7	-172.7	24.9	-34.8	0	0	0	114	K696 W718 I747 I748 R774	P692-K696 VanDerWaalsContact O-CG 3.3Å; P692-K696 WeakPolarHBondContact O-CG 3.32Å; P692-K696 PolarHBondContact O-N 3.16Å; P692-K696 VanDerWaalsContact O-N 3.11Å; P692-W718 HydrophobicContact CG-CE3 4.3Å; P692-W718 HydrophobicContact CG-CH2 4.2Å; P692-W718 HydrophobicContact CG-CZ2 4.49Å; P692-W718 HydrophobicContact CG-CZ3 4.09Å; P692-I747 HydrophobicContact CB-CG2 3.96Å; P692-I748 HydrophobicContact CB-CG2 4.2Å; P692-R774 HydrophobicContact CG-CB 4.34Å; P692-R774 HydrophobicContact CG-CG 4.44Å; P692-R774 WeakPolarHBondContact CG-O 3.25Å
693	E	90.6	Very high	69.6	Low	6 Å²	6	69.9 Å²	69.9	3%	0.028	37%	0.372	C	S	.	.	H	α-helix	trans	-67.1	-35.4	175.3	62.3	-87.6	-155.7	0	0	113	P691 I695 K696 D697 S715 P776 R779	P691-E693 VanDerWaalsContact C-N 3.28Å; P691-E693 PolarHBondContact O-N 3.15Å; E693-I695 VanDerWaalsContact C-N 3.31Å; E693-I695 PolarHBondContact O-N 2.7Å; E693-K696 PolarHBondContact O-N 2.87Å; E693-D697 PolarHBondContact O-N 3.04Å; E693-S715 WeakPolarHBondContact OE1-CA 3.31Å; E693-S715 VanDerWaalsContact OE1-CB 3.3Å; E693-S715 WeakPolarHBondContact OE1-CB 3.44Å; E693-S715 PolarHBondContact OE1-OG 2.98Å; E693-P776 HydrophobicContact CB-CG 4.06Å; E693-P776 HydrophobicContact CG-CG 4.08Å; E693-R779 IonicContact OE1-CZ 3.78Å; E693-R779 IonicContact OE1-NH1 3.97Å; E693-R779 PolarHBondContact OE1-NH1 3.35Å; E693-R779 IonicContact OE1-NH2 3.67Å; E693-R779 IonicContact OE2-CZ 2.77Å; E693-R779 IonicContact OE2-NH1 3.7Å; E693-R779 PolarHBondContact OE2-NH1 3.04Å; E693-R779 IonicContact OE2-NH2 3.93Å; E693-R779 PolarHBondContact OE2-NH2 2.91Å
694	A	88.8	Confident	69.6	Low	23 Å²	23	69.8 Å²	69.8	19%	0.19	38%	0.376	C	S	.	.	H	α-helix	trans	-67.7	-33.6	178.7	0	0	0	0	0	112	M690 P691 M698	M690-A694 HydrophobicContact CG-CB 4.48Å; P691-A694 HydrophobicContact CG-CB 4Å; P691-A694 PolarHBondContact O-N 2.86Å; P691-A694 VanDerWaalsContact O-N 3.13Å; A694-M698 WeakPolarHBondContact O-CG 3.46Å; A694-M698 PolarHBondContact O-N 2.99Å
695	I	86.9	Confident	69.9	Low	19 Å²	19	69 Å²	69	10%	0.097	39%	0.388	C	S	.	.	H	α-helix	trans	-72	-41.5	174.8	-55.2	169.2	0	0	0	110.1	M690 E693 M698 S699 L744 I747 I748	M690-I695 HydrophobicContact CG-CD1 4.36Å; M690-I695 HydrophobicContact CG-CG1 4.03Å; M690-I695 HydrophobicContact SD-CD1 4.25Å; M690-I695 HydrophobicContact SD-CG1 3.66Å; E693-I695 VanDerWaalsContact C-N 3.31Å; E693-I695 PolarHBondContact O-N 2.7Å; I695-M698 PolarHBondContact O-N 3.23Å; I695-S699 PolarHBondContact O-N 2.72Å; I695-S699 VanDerWaalsContact O-N 3.16Å; I695-L744 HydrophobicContact CD1-CB 4.49Å; I695-L744 HydrophobicContact CD1-CD2 3.52Å; I695-L744 HydrophobicContact CG1-CD2 3.81Å; I695-L744 HydrophobicContact CG2-CB 4.48Å; I695-L744 HydrophobicContact CG2-CD2 4.35Å; I695-I747 HydrophobicContact CD1-CB 3.85Å; I695-I747 HydrophobicContact CD1-CD1 4.16Å; I695-I747 HydrophobicContact CD1-CG2 3.54Å; I695-I748 HydrophobicContact CB-CG2 3.6Å; I695-I748 HydrophobicContact CD1-CG2 3.94Å; I695-I748 HydrophobicContact CG1-CG2 4.36Å; I695-I748 HydrophobicContact CG2-CD1 4.48Å; I695-I748 HydrophobicContact CG2-CG2 3.61Å
696	K	81.7	Confident	69.5	Low	86 Å²	86	76.3 Å²	76.3	37%	0.374	41%	0.409	S	S	.	.	H	α-helix	trans	-64.7	-46.8	179.9	-73.6	173	-173.5	-175.5	0	112	P692 E693 M698 S699 S700 I748	P692-K696 VanDerWaalsContact O-CG 3.3Å; P692-K696 WeakPolarHBondContact O-CG 3.32Å; P692-K696 PolarHBondContact O-N 3.16Å; P692-K696 VanDerWaalsContact O-N 3.11Å; E693-K696 PolarHBondContact O-N 2.87Å; K696-M698 PolarHBondContact O-N 3.35Å; K696-S699 PolarHBondContact O-N 3.21Å; K696-S699 VanDerWaalsContact O-N 3.08Å; K696-S699 PolarHBondContact O-OG 3.07Å; K696-S700 PolarHBondContact O-N 3.3Å; K696-S700 VanDerWaalsContact O-N 3.14Å; K696-S700 PolarHBondContact O-OG 3.15Å; K696-I748 WeakPolarHBondContact CE-O 3.38Å; K696-I748 HydrophobicContact CG-CB 4.45Å; K696-I748 HydrophobicContact CG-CG2 4.06Å; K696-I748 PolarHBondContact NZ-O 2.69Å
697	D	70.7	Confident	68.4	Low	52 Å²	52	80.7 Å²	80.7	28%	0.278	44%	0.441	S	S	.	.	H	α-helix	trans	-61.6	-27.3	177.3	-95.9	23.1	0	0	0	112.8	E693 S700 S709	E693-D697 PolarHBondContact O-N 3.04Å; D697-S700 PolarHBondContact O-OG 3.06Å; D697-S709 WeakPolarHBondContact OD1-CA 3.29Å; D697-S709 WeakPolarHBondContact OD1-CB 3.48Å; D697-S709 PolarHBondContact OD1-N 3.49Å
698	M	66.3	Low	66.5	Low	168 Å²	168	87.4 Å²	87.4	83%	0.828	47%	0.468	S	S	*	.	H	α-helix	trans	-75.3	-35.8	172.5	-72.3	-68.8	-174.7	0	0	113.3	A694 I695 K696	A694-M698 WeakPolarHBondContact O-CG 3.46Å; A694-M698 PolarHBondContact O-N 2.99Å; I695-M698 PolarHBondContact O-N 3.23Å; K696-M698 PolarHBondContact O-N 3.35Å
699	S	55.8	Low	64.5	Low	83 Å²	83	89.7 Å²	89.7	58%	0.58	49%	0.486	S	S	*	.	H	α-helix	trans	-77.1	-22.3	-180	65	0	0	0	0	114.1	I695 K696 S701	I695-S699 PolarHBondContact O-N 2.72Å; I695-S699 VanDerWaalsContact O-N 3.16Å; K696-S699 PolarHBondContact O-N 3.21Å; K696-S699 VanDerWaalsContact O-N 3.08Å; K696-S699 PolarHBondContact O-OG 3.07Å; S699-S701 PolarHBondContact O-N 3Å; S699-S701 VanDerWaalsContact O-N 3.08Å
700	S	49.8	Very low	63.2	Low	75 Å²	75	96.3 Å²	96.3	52%	0.524	52%	0.515	S	S	.	.			trans	-82.9	79.5	-178.2	54.6	0	0	0	0	112.9	K696 D697 R702	K696-S700 PolarHBondContact O-N 3.3Å; K696-S700 VanDerWaalsContact O-N 3.14Å; K696-S700 PolarHBondContact O-OG 3.15Å; D697-S700 PolarHBondContact O-OG 3.06Å; S700-R702 PolarHBondContact O-N 3.21Å
701	S	41.4	Very low	62.6	Low	101 Å²	101	97.1 Å²	97.1	71%	0.706	52%	0.52	S	S	*	.			trans	-59.1	91.9	173.2	-72.8	0	0	0	0	113.2	S699 E703	S699-S701 PolarHBondContact O-N 3Å; S699-S701 VanDerWaalsContact O-N 3.08Å; S701-E703 PolarHBondContact O-N 3.08Å
702	R	45.9	Very low	62.4	Low	257 Å²	257	98.3 Å²	98.3	97%	0.97	53%	0.528	S	S	*	.	S	Bend	trans	48.1	-4.4	158.7	-70.6	-167.4	176.7	-159.2	1.3	120.9	S700	S700-R702 PolarHBondContact O-N 3.21Å
703	E	40.4	Very low	62.5	Low	164 Å²	164	101.4 Å²	101.4	77%	0.766	55%	0.548	S	S	*	.			trans	-81.4	142	-174.4	-70.7	-172.9	172.6	0	0	113.8	S701 G705	S701-E703 PolarHBondContact O-N 3.08Å; E703-G705 PolarHBondContact O-N 3.37Å
704	N	39.4	Very low	62.8	Low	139 Å²	139	103.3 Å²	103.3	74%	0.743	56%	0.556	S	S	*	*	S	Bend	trans	59.8	27.7	160.2	-61.9	-34.9	0	0	0	118.7	K706	N704-K706 PolarHBondContact O-N 3.14Å
705	G	42.9	Very low	63.2	Low	84 Å²	84	102.2 Å²	102.2	87%	0.866	55%	0.548	S	S	*	.			trans	62	-1.6	141.8	0	0	0	0	0	119.9	E703	E703-G705 PolarHBondContact O-N 3.37Å
706	K	40.8	Very low	63.7	Low	191 Å²	191	101.3 Å²	101.3	83%	0.83	54%	0.543	S	S	*	.			trans	-81.7	163.7	-179.6	-72	170.6	-177.5	175.9	0	110.8	N704 K708	N704-K706 PolarHBondContact O-N 3.14Å; K706-K708 PolarHBondContact O-N 3.18Å
707	S	39.9	Very low	64.5	Low	115 Å²	115	97.2 Å²	97.2	80%	0.804	53%	0.525	S	S	*	.			trans	-56.7	109	-162.4	55.9	0	0	0	0	114.1
708	K	44.7	Very low	65.8	Low	163 Å²	163	94.8 Å²	94.8	71%	0.709	51%	0.512	S	S	*	.			trans	-46.8	135.1	166.1	-55.8	-177.4	179.9	-172.1	0	110.2	K706 K710	K706-K708 PolarHBondContact O-N 3.18Å; K708-K710 HydrophobicContact CB-CG 4.22Å; K708-K710 PolarHBondContact O-N 3.29Å
709	S	50.5	Low	67.3	Low	68 Å²	68	86.9 Å²	86.9	48%	0.476	47%	0.473	S	S	.	.			trans	-84.5	56.4	179.6	-65.6	0	0	0	0	110.6	D697 I711	D697-S709 WeakPolarHBondContact OD1-CA 3.29Å; D697-S709 WeakPolarHBondContact OD1-CB 3.48Å; D697-S709 PolarHBondContact OD1-N 3.49Å; S709-I711 PolarHBondContact O-N 3.48Å
710	K	67.1	Low	69.4	Low	159 Å²	159	82.9 Å²	82.9	69%	0.691	45%	0.445	S	S	*	.			trans	-44.3	133.9	-173.2	-64.6	-176.2	179.6	-177.4	0	111.7	K708 S712	K708-K710 HydrophobicContact CB-CG 4.22Å; K708-K710 PolarHBondContact O-N 3.29Å; K710-S712 PolarHBondContact O-N 2.86Å
711	I	82	Confident	71.7	Confident	81 Å²	81	79.3 Å²	79.3	42%	0.415	42%	0.42	S	S	.	.			trans	-42.6	131.3	165.8	-63.9	171.6	0	0	0	109.5	V644 S709	V644-I711 HydrophobicContact CG1-CG2 3.88Å; S709-I711 PolarHBondContact O-N 3.48Å
712	S	91.2	Very high	74.4	Confident	30 Å²	30	74.5 Å²	74.5	21%	0.21	39%	0.387	C	S	.	.			trans	-146.8	171.2	-167	71.7	0	0	0	0	111.6	V644 K710 K714 S715	V644-S712 VanDerWaalsContact CG1-O 3.3Å; V644-S712 WeakPolarHBondContact CG1-O 3.37Å; K710-S712 PolarHBondContact O-N 2.86Å; S712-K714 PolarHBondContact O-N 3.36Å; S712-K714 PolarHBondContact OG-N 2.76Å; S712-S715 PolarHBondContact N-OG 3.43Å; S712-S715 VanDerWaalsContact N-OG 3.1Å; S712-S715 WeakPolarHBondContact O-CA 3.19Å; S712-S715 WeakPolarHBondContact O-CB 3.38Å; S712-S715 PolarHBondContact O-N 2.93Å; S712-S715 PolarHBondContact O-OG 3.27Å
713	P	95.8	Very high	76.9	Confident	65 Å²	65	62.3 Å²	62.3	42%	0.422	34%	0.341	S	S	.	.	H	α-helix	trans	-52.2	-26	173	-32	39.1	0	0	0	115	H639 V644 S715	H639-P713 PolarHBondContact CE1-O 3.32Å; H639-P713 VanDerWaalsContact CE1-O 3.29Å; V644-P713 HydrophobicContact CG2-CG 4.02Å; P713-S715 VanDerWaalsContact C-N 3.3Å
714	K	97.3	Very high	79.7	Confident	46 Å²	46	54.5 Å²	54.5	20%	0.2	30%	0.304	C	S	.	.	H	α-helix	trans	-72.5	-22.3	175.2	-60.9	-79.3	-168.6	169.7	0	112.4	S712 V717 W718 P776 R779 I780 E784	S712-K714 PolarHBondContact O-N 3.36Å; S712-K714 PolarHBondContact OG-N 2.76Å; K714-V717 WeakPolarHBondContact O-CB 3.39Å; K714-V717 PolarHBondContact O-N 3.02Å; K714-W718 PolarHBondContact O-N 2.92Å; K714-P776 HydrophobicContact CB-CB 3.97Å; K714-P776 VanDerWaalsContact CD-O 3.3Å; K714-P776 WeakPolarHBondContact CD-O 3.25Å; K714-P776 VanDerWaalsContact CG-O 3.27Å; K714-P776 WeakPolarHBondContact CG-O 3.4Å; K714-R779 WeakPolarHBondContact CE-O 3.36Å; K714-R779 PolarHBondContact NZ-O 3.02Å; K714-R779 VanDerWaalsContact O-CD 3.26Å; K714-R779 WeakPolarHBondContact O-CD 3.45Å; K714-R779 PolarHBondContact O-NH1 2.85Å; K714-I780 VanDerWaalsContact CD-O 3.25Å; K714-I780 WeakPolarHBondContact CD-O 3.31Å; K714-E784 IonicContact NZ-OE2 2.68Å
715	S	95.8	Very high	82.5	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.007	27%	0.269	C	S	.	.	H	α-helix	trans	-66.7	-45.2	175.8	-53.6	0	0	0	0	110.9	E693 S712 P713 V717 W718 S719	E693-S715 WeakPolarHBondContact OE1-CA 3.31Å; E693-S715 VanDerWaalsContact OE1-CB 3.3Å; E693-S715 WeakPolarHBondContact OE1-CB 3.44Å; E693-S715 PolarHBondContact OE1-OG 2.98Å; S712-S715 PolarHBondContact N-OG 3.43Å; S712-S715 VanDerWaalsContact N-OG 3.1Å; S712-S715 WeakPolarHBondContact O-CA 3.19Å; S712-S715 WeakPolarHBondContact O-CB 3.38Å; S712-S715 PolarHBondContact O-N 2.93Å; S712-S715 PolarHBondContact O-OG 3.27Å; P713-S715 VanDerWaalsContact C-N 3.3Å; S715-V717 VanDerWaalsContact C-N 3.29Å; S715-V717 PolarHBondContact O-N 2.63Å; S715-W718 WeakPolarHBondContact O-CB 3.48Å; S715-W718 PolarHBondContact O-N 2.91Å; S715-S719 PolarHBondContact O-N 3.39Å
716	D	97.6	Very high	85.1	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.8	-33.8	174.1	-70.2	-16.4	0	0	0	112.4	V635 H639 V644 H645 S646 L648 W718 S719 L720	V635-D716 HydrophobicContact CG1-CB 4.09Å; H639-D716 IonicContact CD2-OD2 2.63Å; H639-D716 IonicContact CE1-OD2 2.73Å; H639-D716 IonicContact NE2-OD2 3.8Å; H639-D716 PolarHBondContact NE2-OD2 3.21Å; V644-D716 WeakPolarHBondContact CG1-OD2 3.34Å; H645-D716 PolarHBondContact N-OD1 3.18Å; H645-D716 PolarHBondContact N-OD2 3.45Å; S646-D716 PolarHBondContact N-OD1 3.21Å; L648-D716 HydrophobicContact CD1-CB 3.69Å; D716-W718 VanDerWaalsContact C-N 3.32Å; D716-W718 PolarHBondContact O-N 3.33Å; D716-S719 PolarHBondContact O-N 2.86Å; D716-L720 WeakPolarHBondContact O-CB 3.46Å; D716-L720 WeakPolarHBondContact O-CG 3.47Å; D716-L720 PolarHBondContact O-N 3.02Å
717	V	98.7	Very high	87.8	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61	-38.6	174.9	174.4	0	0	0	0	112.1	K714 S715 G721 C771 R779 I780 I782 L785	K714-V717 WeakPolarHBondContact O-CB 3.39Å; K714-V717 PolarHBondContact O-N 3.02Å; S715-V717 VanDerWaalsContact C-N 3.29Å; S715-V717 PolarHBondContact O-N 2.63Å; V717-G721 PolarHBondContact O-N 3.36Å; V717-C771 HydrophobicContact CG1-CB 4.11Å; V717-R779 HydrophobicContact CG1-CG 4.23Å; V717-I780 HydrophobicContact CG1-CG2 3.95Å; V717-I780 WeakPolarHBondContact CG1-O 3.4Å; V717-I782 HydrophobicContact CG2-CD1 3.62Å; V717-I782 HydrophobicContact CG2-CG1 3.85Å; V717-L785 HydrophobicContact CG1-CD1 3.88Å; V717-L785 HydrophobicContact CG2-CD1 4.48Å
718	W	98.6	Very high	90.5	Very high	1 Å²	1	32.6 Å²	32.6	0%	0.004	17%	0.165	C	C	.	.	H	α-helix	trans	-66.1	-47.4	176.5	170.9	-80.1	0	0	0	111.1	M690 P691 P692 K714 S715 D716 L720 G721 C722 F734 I747 I754 L772 R774	M690-W718 PolarHBondContact O-NE1 2.93Å; P691-W718 VanDerWaalsContact CA-CD1 3.43Å; P691-W718 HydrophobicContact CB-CB 4.01Å; P691-W718 HydrophobicContact CB-CG 3.87Å; P692-W718 HydrophobicContact CG-CE3 4.3Å; P692-W718 HydrophobicContact CG-CH2 4.2Å; P692-W718 HydrophobicContact CG-CZ2 4.49Å; P692-W718 HydrophobicContact CG-CZ3 4.09Å; K714-W718 PolarHBondContact O-N 2.92Å; S715-W718 WeakPolarHBondContact O-CB 3.48Å; S715-W718 PolarHBondContact O-N 2.91Å; D716-W718 VanDerWaalsContact C-N 3.32Å; D716-W718 PolarHBondContact O-N 3.33Å; W718-L720 PolarHBondContact O-N 3.16Å; W718-G721 CarbonylContact O-C 3.51Å; W718-G721 WeakPolarHBondContact O-CA 3.39Å; W718-G721 PolarHBondContact O-N 2.77Å; W718-C722 PolarHBondContact O-N 3.22Å; W718-F734 HydrophobicContact CH2-CE2 4.26Å; W718-F734 HydrophobicContact CH2-CZ 4.41Å; W718-F734 AromaticContact CZ2-CE2 3.81Å; W718-F734 HydrophobicContact CZ2-CE2 3.81Å; W718-F734 HydrophobicContact CZ2-CZ 4.36Å; W718-I747 HydrophobicContact CZ2-CG2 3.94Å; W718-I754 HydrophobicContact CH2-CD1 4.22Å; W718-L772 HydrophobicContact CD2-CD2 3.96Å; W718-L772 HydrophobicContact CE3-CD2 4.06Å; W718-L772 HydrophobicContact CG-CD2 4.41Å; W718-L772 HydrophobicContact CZ3-CB 4.39Å; W718-L772 HydrophobicContact CZ3-CD2 4.42Å; W718-L772 VanDerWaalsContact CZ3-O 3.27Å; W718-L772 WeakPolarHBondContact CZ3-O 3.36Å; W718-R774 HydrophobicContact CH2-CG 4.11Å; W718-R774 HydrophobicContact CZ3-CG 4.05Å
719	S	98.3	Very high	93	Very high	1 Å²	1	27 Å²	27	1%	0.007	14%	0.14	C	C	.	.	H	α-helix	trans	-61.8	-43.2	178.8	-55.6	0	0	0	0	111.7	Y689 S715 D716 G721 C722 I723	Y689-S719 WeakPolarHBondContact O-CB 3.18Å; Y689-S719 PolarHBondContact O-OG 3.2Å; S715-S719 PolarHBondContact O-N 3.39Å; D716-S719 PolarHBondContact O-N 2.86Å; S719-G721 VanDerWaalsContact C-N 3.32Å; S719-G721 PolarHBondContact O-N 3.44Å; S719-C722 WeakPolarHBondContact O-CB 3.31Å; S719-C722 PolarHBondContact O-N 2.98Å; S719-I723 WeakPolarHBondContact O-CG1 3.48Å; S719-I723 PolarHBondContact O-N 3.47Å
720	L	98.8	Very high	95.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-58.4	-41.8	169.1	-76	178.7	0	0	0	112.2	W628 M631 L632 V635 L648 F653 D716 W718 C722 I723 L724 I782	W628-L720 HydrophobicContact CH2-CB 3.98Å; W628-L720 HydrophobicContact CZ3-CB 3.85Å; W628-L720 WeakPolarHBondContact CZ3-O 3.4Å; M631-L720 HydrophobicContact CB-CD2 3.9Å; M631-L720 HydrophobicContact SD-CD2 4.28Å; L632-L720 HydrophobicContact CD2-CD1 4.27Å; V635-L720 HydrophobicContact CB-CD1 4.1Å; V635-L720 HydrophobicContact CG1-CD1 4.08Å; V635-L720 HydrophobicContact CG2-CD1 4.07Å; V635-L720 HydrophobicContact CG2-CD2 4.32Å; L648-L720 HydrophobicContact CD1-CD2 4.31Å; L648-L720 HydrophobicContact CD1-CG 4.05Å; F653-L720 HydrophobicContact CE2-CD2 4.24Å; F653-L720 HydrophobicContact CZ-CD2 4.02Å; D716-L720 WeakPolarHBondContact O-CB 3.46Å; D716-L720 WeakPolarHBondContact O-CG 3.47Å; D716-L720 PolarHBondContact O-N 3.02Å; W718-L720 PolarHBondContact O-N 3.16Å; L720-C722 PolarHBondContact O-N 2.93Å; L720-I723 HydrophobicContact CD2-CD1 4.49Å; L720-I723 WeakPolarHBondContact O-CB 3.26Å; L720-I723 PolarHBondContact O-N 3.42Å; L720-I723 VanDerWaalsContact O-N 3.15Å; L720-L724 PolarHBondContact O-N 2.68Å; L720-I782 HydrophobicContact CD1-CD1 3.65Å
721	G	98.8	Very high	96.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-56.4	-45.4	172.8	0	0	0	0	0	112.7	V717 W718 S719 I723 L724 Y725	V717-G721 PolarHBondContact O-N 3.36Å; W718-G721 CarbonylContact O-C 3.51Å; W718-G721 WeakPolarHBondContact O-CA 3.39Å; W718-G721 PolarHBondContact O-N 2.77Å; S719-G721 VanDerWaalsContact C-N 3.32Å; S719-G721 PolarHBondContact O-N 3.44Å; G721-I723 VanDerWaalsContact C-N 3.34Å; G721-I723 PolarHBondContact O-N 3.06Å; G721-L724 PolarHBondContact O-N 3.02Å; G721-Y725 WeakPolarHBondContact O-CB 3.38Å; G721-Y725 PolarHBondContact O-N 2.8Å
722	C	98.6	Very high	97.2	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-63.2	-36.1	174.3	-76.3	0	0	0	0	112.9	N688 Y689 W718 S719 L720 Y726	N688-C722 PolarHBondContact O-SG 3.42Å; N688-C722 VanDerWaalsContact O-SG 3.35Å; Y689-C722 HydrophobicContact CD1-CB 3.61Å; Y689-C722 HydrophobicContact CE1-CB 4.19Å; Y689-C722 HydrophobicContact CG-CB 4.43Å; W718-C722 PolarHBondContact O-N 3.22Å; S719-C722 WeakPolarHBondContact O-CB 3.31Å; S719-C722 PolarHBondContact O-N 2.98Å; L720-C722 PolarHBondContact O-N 2.93Å; C722-Y726 WeakPolarHBondContact O-CB 3.06Å; C722-Y726 PolarHBondContact O-N 3.45Å
723	I	98.4	Very high	97.5	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-65.6	-50.2	174.4	-62.3	172.8	0	0	0	110.4	L609 M631 P650 F653 Y689 S719 L720 G721 Y725 Y726 M727	L609-I723 HydrophobicContact CD2-CG2 4.19Å; M631-I723 HydrophobicContact CE-CG2 4.03Å; M631-I723 HydrophobicContact SD-CG2 3.93Å; P650-I723 HydrophobicContact CG-CD1 4.45Å; P650-I723 HydrophobicContact CG-CG1 3.98Å; P650-I723 HydrophobicContact CG-CG2 4.22Å; F653-I723 HydrophobicContact CD2-CD1 4.26Å; F653-I723 HydrophobicContact CE2-CD1 3.88Å; Y689-I723 HydrophobicContact CD1-CG1 3.8Å; Y689-I723 HydrophobicContact CE1-CG1 3.72Å; S719-I723 WeakPolarHBondContact O-CG1 3.48Å; S719-I723 PolarHBondContact O-N 3.47Å; L720-I723 HydrophobicContact CD2-CD1 4.49Å; L720-I723 WeakPolarHBondContact O-CB 3.26Å; L720-I723 PolarHBondContact O-N 3.42Å; L720-I723 VanDerWaalsContact O-N 3.15Å; G721-I723 VanDerWaalsContact C-N 3.34Å; G721-I723 PolarHBondContact O-N 3.06Å; I723-Y725 VanDerWaalsContact C-N 3.3Å; I723-Y725 PolarHBondContact O-N 3.26Å; I723-Y726 WeakPolarHBondContact O-CB 3.49Å; I723-Y726 PolarHBondContact O-N 2.89Å; I723-M727 HydrophobicContact CG2-SD 4.12Å; I723-M727 WeakPolarHBondContact O-CG 3.29Å; I723-M727 PolarHBondContact O-N 3.23Å
724	L	98.7	Very high	97.5	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-63.7	-36.5	178.8	-173	66.7	0	0	0	112	R624 W628 L720 G721 M727 T728 L764 V767 L768	R624-L724 HydrophobicContact CG-CD1 3.94Å; W628-L724 HydrophobicContact CB-CD1 4.07Å; W628-L724 HydrophobicContact CD2-CD1 3.96Å; W628-L724 HydrophobicContact CD2-CD2 3.74Å; W628-L724 HydrophobicContact CD2-CG 4.29Å; W628-L724 HydrophobicContact CE3-CB 3.8Å; W628-L724 HydrophobicContact CE3-CD1 3.86Å; W628-L724 HydrophobicContact CE3-CD2 3.83Å; W628-L724 HydrophobicContact CE3-CG 4.03Å; W628-L724 HydrophobicContact CG-CD1 4.05Å; W628-L724 HydrophobicContact CG-CD2 4.32Å; W628-L724 HydrophobicContact CH2-CB 4.41Å; W628-L724 HydrophobicContact CH2-CD2 4.08Å; W628-L724 HydrophobicContact CZ2-CD2 3.98Å; W628-L724 HydrophobicContact CZ3-CB 3.73Å; W628-L724 HydrophobicContact CZ3-CD2 4Å; W628-L724 HydrophobicContact CZ3-CG 4.33Å; L720-L724 PolarHBondContact O-N 2.68Å; G721-L724 PolarHBondContact O-N 3.02Å; L724-M727 CarbonylContact O-C 3.56Å; L724-M727 PolarHBondContact O-N 3.25Å; L724-T728 WeakPolarHBondContact O-CB 3.47Å; L724-T728 PolarHBondContact O-N 3.5Å; L724-T728 PolarHBondContact O-OG1 3.32Å; L724-L764 HydrophobicContact CD1-CD1 3.94Å; L724-L764 HydrophobicContact CD2-CD1 3.56Å; L724-L764 HydrophobicContact CG-CD1 3.76Å; L724-V767 HydrophobicContact CD2-CB 4.39Å; L724-V767 HydrophobicContact CD2-CG1 3.5Å; L724-L768 HydrophobicContact CB-CD2 3.91Å; L724-L768 HydrophobicContact CD2-CD2 3.89Å; L724-L768 HydrophobicContact CD2-CG 4.32Å; L724-L768 HydrophobicContact CG-CD2 3.8Å
725	Y	98.6	Very high	97.3	Very high	1 Å²	1	15.7 Å²	15.7	0%	0.004	9%	0.086	C	C	.	.	H	α-helix	trans	-61.9	-45.1	175	-172.8	-80.5	0	0	0	110.6	G721 I723 M727 T728 Y729 K731 P733 I754 E755 F756 L768 L772	G721-Y725 WeakPolarHBondContact O-CB 3.38Å; G721-Y725 PolarHBondContact O-N 2.8Å; I723-Y725 VanDerWaalsContact C-N 3.3Å; I723-Y725 PolarHBondContact O-N 3.26Å; Y725-M727 VanDerWaalsContact C-N 3.35Å; Y725-M727 PolarHBondContact O-N 3.35Å; Y725-T728 PolarHBondContact O-N 3.38Å; Y725-Y729 AromaticContact CD1-CD2 3.97Å; Y725-Y729 HydrophobicContact CD1-CD2 3.97Å; Y725-Y729 AromaticContact CD2-CD2 3.66Å; Y725-Y729 HydrophobicContact CD2-CD2 3.66Å; Y725-Y729 AromaticContact CD2-CE2 3.77Å; Y725-Y729 HydrophobicContact CD2-CE2 3.77Å; Y725-Y729 AromaticContact CE1-CD2 3.8Å; Y725-Y729 HydrophobicContact CE1-CD2 3.8Å; Y725-Y729 HydrophobicContact CE1-CG 4.46Å; Y725-Y729 AromaticContact CE2-CD2 3.49Å; Y725-Y729 HydrophobicContact CE2-CD2 3.49Å; Y725-Y729 VanDerWaalsContact CE2-CD2 3.49Å; Y725-Y729 AromaticContact CE2-CE2 3.55Å; Y725-Y729 HydrophobicContact CE2-CE2 3.55Å; Y725-Y729 AromaticContact CG-CD2 3.89Å; Y725-Y729 HydrophobicContact CG-CD2 3.89Å; Y725-Y729 HydrophobicContact CG-CE2 4.42Å; Y725-Y729 AromaticContact CZ-CD2 3.55Å; Y725-Y729 PolarHBondContact O-N 3Å; Y725-K731 WeakPolarHBondContact CD1-O 3.35Å; Y725-K731 HydrophobicContact CE1-CG 4.38Å; Y725-K731 VanDerWaalsContact CE1-O 3.28Å; Y725-K731 WeakPolarHBondContact CE1-O 3.13Å; Y725-P733 HydrophobicContact CD1-CB 4.36Å; Y725-P733 VanDerWaalsContact CD1-CD 3.49Å; Y725-P733 HydrophobicContact CD1-CG 3.64Å; Y725-P733 HydrophobicContact CD2-CG 4.05Å; Y725-P733 HydrophobicContact CE1-CB 4.19Å; Y725-P733 HydrophobicContact CE1-CG 3.97Å; Y725-P733 HydrophobicContact CE2-CG 4.34Å; Y725-P733 HydrophobicContact CG-CG 3.69Å; Y725-I754 HydrophobicContact CE2-CG2 4.17Å; Y725-E755 WeakPolarHBondContact CE2-O 3.47Å; Y725-E755 PolarHBondContact OH-O 3.35Å; Y725-F756 HydrophobicContact CD2-CE1 4.3Å; Y725-F756 HydrophobicContact CE2-CD1 4.21Å; Y725-F756 HydrophobicContact CE2-CE1 4.25Å; Y725-L768 HydrophobicContact CD2-CD2 4.4Å; Y725-L768 VanDerWaalsContact N-CD2 3.34Å; Y725-L772 HydrophobicContact CD2-CD1 3.88Å; Y725-L772 HydrophobicContact CG-CD1 4.35Å
726	Y	97.3	Very high	97.2	Very high	39 Å²	39	20.7 Å²	20.7	15%	0.153	11%	0.109	C	C	.	.	H	α-helix	trans	-61.6	-40.9	173.3	179.9	-147.5	0	0	0	112.2	L613 P650 C722 I723 T728 G730 K731 T732	L613-Y726 HydrophobicContact CB-CE1 3.77Å; L613-Y726 HydrophobicContact CD1-CD1 3.72Å; L613-Y726 HydrophobicContact CD1-CE1 3.66Å; L613-Y726 HydrophobicContact CG-CE1 4.28Å; P650-Y726 HydrophobicContact CG-CD1 4.5Å; C722-Y726 WeakPolarHBondContact O-CB 3.06Å; C722-Y726 PolarHBondContact O-N 3.45Å; I723-Y726 WeakPolarHBondContact O-CB 3.49Å; I723-Y726 PolarHBondContact O-N 2.89Å; Y726-T728 PolarHBondContact O-N 2.68Å; Y726-G730 WeakPolarHBondContact CE2-O 3.44Å; Y726-G730 WeakPolarHBondContact O-CA 3.43Å; Y726-G730 PolarHBondContact O-N 3.5Å; Y726-K731 WeakPolarHBondContact CA-O 3.3Å; Y726-T732 HydrophobicContact CG-CG2 4.22Å
727	M	97.7	Very high	96.9	Very high	4 Å²	4	21.9 Å²	21.9	2%	0.02	12%	0.115	C	C	.	.	H	α-helix	trans	-67.2	-12.4	173.4	-65.2	177.2	73.1	0	0	114.4	L613 I619 R624 Y627 M631 I723 L724 Y725	L613-M727 HydrophobicContact CD1-CG 4.3Å; L613-M727 HydrophobicContact CD2-CG 3.86Å; I619-M727 HydrophobicContact CD1-CB 3.93Å; I619-M727 HydrophobicContact CD1-CG 4.12Å; R624-M727 HydrophobicContact CB-CE 4.27Å; R624-M727 WeakPolarHBondContact CD-O 3.28Å; R624-M727 HydrophobicContact CG-CB 4.32Å; R624-M727 HydrophobicContact CG-CE 4.18Å; R624-M727 PolarHBondContact NH1-O 3.49Å; Y627-M727 HydrophobicContact CD2-CE 3.89Å; Y627-M727 HydrophobicContact CG-CE 4.43Å; M631-M727 HydrophobicContact CE-SD 3.95Å; I723-M727 HydrophobicContact CG2-SD 4.12Å; I723-M727 WeakPolarHBondContact O-CG 3.29Å; I723-M727 PolarHBondContact O-N 3.23Å; L724-M727 CarbonylContact O-C 3.56Å; L724-M727 PolarHBondContact O-N 3.25Å; Y725-M727 VanDerWaalsContact C-N 3.35Å; Y725-M727 PolarHBondContact O-N 3.35Å
728	T	97.4	Very high	96.5	Very high	25 Å²	25	29.3 Å²	29.3	15%	0.153	15%	0.153	C	C	.	.	H	α-helix	trans	-103.7	-42.9	-178.3	-54.8	0	0	0	0	111.9	L724 Y725 Y726 I759 L764 L768	L724-T728 WeakPolarHBondContact O-CB 3.47Å; L724-T728 PolarHBondContact O-N 3.5Å; L724-T728 PolarHBondContact O-OG1 3.32Å; Y725-T728 PolarHBondContact O-N 3.38Å; Y726-T728 PolarHBondContact O-N 2.68Å; T728-I759 HydrophobicContact CG2-CD1 3.85Å; T728-L764 HydrophobicContact CG2-CD2 3.87Å; T728-L764 HydrophobicContact CG2-CG 4.34Å; T728-L768 HydrophobicContact CG2-CD1 3.93Å
729	Y	96.6	Very high	96	Very high	45 Å²	45	33.3 Å²	33.3	18%	0.176	18%	0.175	C	C	.	.	H	α-helix	trans	-116.7	1.2	-170.8	-59.3	-63.7	0	0	0	114.9	Y725 K731 P757 I759 L768	Y725-Y729 AromaticContact CD1-CD2 3.97Å; Y725-Y729 HydrophobicContact CD1-CD2 3.97Å; Y725-Y729 AromaticContact CD2-CD2 3.66Å; Y725-Y729 HydrophobicContact CD2-CD2 3.66Å; Y725-Y729 AromaticContact CD2-CE2 3.77Å; Y725-Y729 HydrophobicContact CD2-CE2 3.77Å; Y725-Y729 AromaticContact CE1-CD2 3.8Å; Y725-Y729 HydrophobicContact CE1-CD2 3.8Å; Y725-Y729 HydrophobicContact CE1-CG 4.46Å; Y725-Y729 AromaticContact CE2-CD2 3.49Å; Y725-Y729 HydrophobicContact CE2-CD2 3.49Å; Y725-Y729 VanDerWaalsContact CE2-CD2 3.49Å; Y725-Y729 AromaticContact CE2-CE2 3.55Å; Y725-Y729 HydrophobicContact CE2-CE2 3.55Å; Y725-Y729 AromaticContact CG-CD2 3.89Å; Y725-Y729 HydrophobicContact CG-CD2 3.89Å; Y725-Y729 HydrophobicContact CG-CE2 4.42Å; Y725-Y729 AromaticContact CZ-CD2 3.55Å; Y725-Y729 PolarHBondContact O-N 3Å; Y729-K731 PolarHBondContact O-N 2.96Å; Y729-P757 HydrophobicContact CD1-CB 4.33Å; Y729-P757 HydrophobicContact CD1-CG 4.27Å; Y729-P757 HydrophobicContact CE1-CB 3.81Å; Y729-P757 HydrophobicContact CE1-CG 4.04Å; Y729-P757 WeakPolarHBondContact CE1-O 3.41Å; Y729-P757 PolarHBondContact OH-O 3.23Å; Y729-I759 HydrophobicContact CE1-CG2 3.82Å; Y729-L768 HydrophobicContact CE2-CD1 3.84Å
730	G	95.6	Very high	95.4	Very high	54 Å²	54	35.9 Å²	35.9	56%	0.557	19%	0.187	S	C	*	.	S	Bend	trans	70.7	-0.5	178.3	0	0	0	0	0	115.5	Y726	Y726-G730 WeakPolarHBondContact CE2-O 3.44Å; Y726-G730 WeakPolarHBondContact O-CA 3.43Å; Y726-G730 PolarHBondContact O-N 3.5Å
731	K	94.7	Very high	94.9	Very high	64 Å²	64	41.3 Å²	41.3	28%	0.278	22%	0.215	S	C	.	.	S	Bend	trans	-132.8	148	170.1	60.5	178.3	-177.4	174.4	0	109.4	Y725 Y726 Y729 Q735 E755	Y725-K731 WeakPolarHBondContact CD1-O 3.35Å; Y725-K731 HydrophobicContact CE1-CG 4.38Å; Y725-K731 VanDerWaalsContact CE1-O 3.28Å; Y725-K731 WeakPolarHBondContact CE1-O 3.13Å; Y726-K731 WeakPolarHBondContact CA-O 3.3Å; Y729-K731 PolarHBondContact O-N 2.96Å; K731-Q735 HydrophobicContact CB-CB 4.23Å; K731-E755 IonicContact NZ-OE2 3.27Å; K731-E755 PolarHBondContact NZ-OE2 3.5Å
732	T	96.7	Very high	94.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.235	C	C	.	.			trans	-70.3	158.8	162.2	48.2	0	0	0	0	110.3	N688 Y689 Y726 F734 Q735	N688-T732 HydrophobicContact CB-CG2 4.27Å; Y689-T732 HydrophobicContact CE1-CG2 3.74Å; Y689-T732 HydrophobicContact CE2-CG2 4.48Å; Y726-T732 HydrophobicContact CG-CG2 4.22Å; T732-F734 PolarHBondContact O-N 3.08Å; T732-Q735 VanDerWaalsContact O-CB 3.28Å; T732-Q735 WeakPolarHBondContact O-CB 3.33Å; T732-Q735 PolarHBondContact O-N 3.12Å; T732-Q735 VanDerWaalsContact O-N 3.15Å; T732-Q735 WeakPolarHBondContact OG1-CB 3.09Å; T732-Q735 PolarHBondContact OG1-OE1 3.38Å
733	P	97.6	Very high	94.3	Very high	7 Å²	7	44.6 Å²	44.6	5%	0.045	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-50.3	-170.4	-26.8	33.8	0	0	0	113.7	Y725 H736 I754 L772	Y725-P733 HydrophobicContact CD1-CB 4.36Å; Y725-P733 VanDerWaalsContact CD1-CD 3.49Å; Y725-P733 HydrophobicContact CD1-CG 3.64Å; Y725-P733 HydrophobicContact CD2-CG 4.05Å; Y725-P733 HydrophobicContact CE1-CB 4.19Å; Y725-P733 HydrophobicContact CE1-CG 3.97Å; Y725-P733 HydrophobicContact CE2-CG 4.34Å; Y725-P733 HydrophobicContact CG-CG 3.69Å; P733-H736 PolarHBondContact O-ND1 2.94Å; P733-I754 HydrophobicContact CB-CG2 4.08Å; P733-L772 HydrophobicContact CG-CD1 3.71Å
734	F	96.3	Very high	94	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.009	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	15.5	-177	-51.4	-85.3	0	0	0	113.5	W718 T732 H736 I737 K743 A746 I747 H752 I754	W718-F734 HydrophobicContact CH2-CE2 4.26Å; W718-F734 HydrophobicContact CH2-CZ 4.41Å; W718-F734 AromaticContact CZ2-CE2 3.81Å; W718-F734 HydrophobicContact CZ2-CE2 3.81Å; W718-F734 HydrophobicContact CZ2-CZ 4.36Å; T732-F734 PolarHBondContact O-N 3.08Å; F734-H736 PolarHBondContact O-N 3.48Å; F734-I737 HydrophobicContact CB-CD1 4.42Å; F734-I737 HydrophobicContact CD1-CD1 4.28Å; F734-I737 PolarHBondContact O-N 3.36Å; F734-I737 VanDerWaalsContact O-N 3.14Å; F734-K743 HydrophobicContact CB-CD 4.42Å; F734-K743 HydrophobicContact CB-CG 3.83Å; F734-A746 HydrophobicContact CD1-CB 3.91Å; F734-A746 HydrophobicContact CE1-CB 4.15Å; F734-A746 WeakPolarHBondContact CE1-O 3.4Å; F734-I747 HydrophobicContact CD1-CG1 4.2Å; F734-I747 HydrophobicContact CD2-CD1 4.37Å; F734-I747 HydrophobicContact CD2-CG1 3.57Å; F734-I747 HydrophobicContact CE1-CG1 4.31Å; F734-I747 HydrophobicContact CE2-CG1 3.73Å; F734-I747 HydrophobicContact CG-CG1 3.83Å; F734-I747 HydrophobicContact CZ-CG1 4.1Å; F734-H752 AromaticContact CD1-NE2 3.85Å; F734-H752 AromaticContact CE1-CD2 3.63Å; F734-H752 AromaticContact CE1-NE2 3.84Å; F734-I754 HydrophobicContact CE1-CG1 4.34Å; F734-I754 HydrophobicContact CE2-CD1 4.19Å; F734-I754 HydrophobicContact CZ-CD1 3.78Å; F734-I754 HydrophobicContact CZ-CG1 3.82Å
735	Q	93.6	Very high	93.7	Very high	85 Å²	85	52.6 Å²	52.6	40%	0.397	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-26.5	-176	-159.6	166.2	-61	0	0	113.7	K731 T732 I737	K731-Q735 HydrophobicContact CB-CB 4.23Å; T732-Q735 VanDerWaalsContact O-CB 3.28Å; T732-Q735 WeakPolarHBondContact O-CB 3.33Å; T732-Q735 PolarHBondContact O-N 3.12Å; T732-Q735 VanDerWaalsContact O-N 3.15Å; T732-Q735 WeakPolarHBondContact OG1-CB 3.09Å; T732-Q735 PolarHBondContact OG1-OE1 3.38Å; Q735-I737 PolarHBondContact O-N 2.8Å
736	H	93.1	Very high	93.5	Very high	106 Å²	106	52.9 Å²	52.9	49%	0.491	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-16.9	-179.1	67.2	-90.4	0	0	0	112.8	P733 F734	P733-H736 PolarHBondContact O-ND1 2.94Å; F734-H736 PolarHBondContact O-N 3.48Å
737	I	91.8	Very high	93.4	Very high	25 Å²	25	51 Å²	51	13%	0.128	27%	0.271	C	S	.	.			trans	-91	107.1	179.3	-47.3	178.8	0	0	0	108.6	F734 Q735 K743 A746	F734-I737 HydrophobicContact CB-CD1 4.42Å; F734-I737 HydrophobicContact CD1-CD1 4.28Å; F734-I737 PolarHBondContact O-N 3.36Å; F734-I737 VanDerWaalsContact O-N 3.14Å; Q735-I737 PolarHBondContact O-N 2.8Å; I737-K743 HydrophobicContact CB-CB 4.09Å; I737-K743 HydrophobicContact CB-CG 4.4Å; I737-K743 HydrophobicContact CG2-CB 3.99Å; I737-K743 WeakPolarHBondContact O-CE 3.36Å; I737-K743 PolarHBondContact O-NZ 3.4Å; I737-A746 HydrophobicContact CD1-CB 3.33Å
738	I	89.1	Confident	93.2	Very high	156 Å²	156	52.6 Å²	52.6	80%	0.8	28%	0.279	S	S	*	.			trans	-74.4	-45.2	-176.3	-56.1	176.3	0	0	0	110.9	Q740	I738-Q740 PolarHBondContact O-N 3.4Å
739	N	88.1	Confident	93.1	Very high	85 Å²	85	54 Å²	54	46%	0.455	29%	0.285	S	S	.	.	S	Bend	trans	-68.1	123.5	177.4	-177.3	-63.7	0	0	0	110.6	I741 S742 K743	N739-I741 PolarHBondContact O-N 3.28Å; N739-I741 WeakPolarHBondContact OD1-CA 3.28Å; N739-I741 WeakPolarHBondContact OD1-CB 3.09Å; N739-I741 PolarHBondContact OD1-N 3.34Å; N739-S742 PolarHBondContact O-N 2.59Å; N739-S742 PolarHBondContact OD1-N 3.15Å; N739-S742 PolarHBondContact OD1-OG 3.13Å; N739-K743 WeakPolarHBondContact O-CB 3.36Å; N739-K743 PolarHBondContact O-N 3.21Å
740	Q	86.7	Confident	93	Very high	56 Å²	56	56.5 Å²	56.5	26%	0.262	31%	0.307	S	S	.	.	H	α-helix	trans	-70.9	-31.6	-173.9	-57.3	-71.4	4.5	0	0	112.7	V684 I738 K743 L744	V684-Q740 PolarHBondContact O-NE2 3.28Å; I738-Q740 PolarHBondContact O-N 3.4Å; Q740-K743 WeakPolarHBondContact O-CB 3.28Å; Q740-K743 PolarHBondContact O-N 2.93Å; Q740-L744 VanDerWaalsContact O-CG 3.27Å; Q740-L744 WeakPolarHBondContact O-CG 3.07Å; Q740-L744 PolarHBondContact O-N 3.49Å
741	I	87.9	Confident	92.9	Very high	113 Å²	113	60.3 Å²	60.3	58%	0.579	32%	0.315	S	S	*	.	H	α-helix	trans	-68.5	-49.2	176.4	-59.6	172.4	0	0	0	109.3	N739 K743 L744 H745	N739-I741 PolarHBondContact O-N 3.28Å; N739-I741 WeakPolarHBondContact OD1-CA 3.28Å; N739-I741 WeakPolarHBondContact OD1-CB 3.09Å; N739-I741 PolarHBondContact OD1-N 3.34Å; I741-K743 PolarHBondContact O-N 3.09Å; I741-L744 PolarHBondContact O-N 3.27Å; I741-L744 VanDerWaalsContact O-N 3.15Å; I741-H745 PolarHBondContact O-CD2 3.42Å; I741-H745 PolarHBondContact O-N 3.49Å
742	S	91.1	Very high	93	Very high	60 Å²	60	59.9 Å²	59.9	42%	0.42	31%	0.314	S	S	.	.	H	α-helix	trans	-56.9	-36.5	173.9	-50.4	0	0	0	0	112.3	N739 H745 A746	N739-S742 PolarHBondContact O-N 2.59Å; N739-S742 PolarHBondContact OD1-N 3.15Å; N739-S742 PolarHBondContact OD1-OG 3.13Å; S742-H745 PolarHBondContact O-N 3.22Å; S742-A746 WeakPolarHBondContact O-CB 3.45Å; S742-A746 PolarHBondContact O-N 3.49Å
743	K	93.1	Very high	93	Very high	9 Å²	9	68.1 Å²	68.1	4%	0.039	35%	0.352	C	S	.	.	H	α-helix	trans	-67.3	-45.3	176	-172.5	-171.1	-63.3	168.7	0	112.4	V687 N688 F734 I737 N739 Q740 I741 H745 A746 I747	V687-K743 HydrophobicContact CB-CD 4.47Å; V687-K743 HydrophobicContact CG1-CD 4.06Å; N688-K743 WeakPolarHBondContact OD1-CD 3.35Å; N688-K743 WeakPolarHBondContact OD1-CE 3.23Å; N688-K743 PolarHBondContact OD1-NZ 3.42Å; F734-K743 HydrophobicContact CB-CD 4.42Å; F734-K743 HydrophobicContact CB-CG 3.83Å; I737-K743 HydrophobicContact CB-CB 4.09Å; I737-K743 HydrophobicContact CB-CG 4.4Å; I737-K743 HydrophobicContact CG2-CB 3.99Å; I737-K743 WeakPolarHBondContact O-CE 3.36Å; I737-K743 PolarHBondContact O-NZ 3.4Å; N739-K743 WeakPolarHBondContact O-CB 3.36Å; N739-K743 PolarHBondContact O-N 3.21Å; Q740-K743 WeakPolarHBondContact O-CB 3.28Å; Q740-K743 PolarHBondContact O-N 2.93Å; I741-K743 PolarHBondContact O-N 3.09Å; K743-H745 VanDerWaalsContact C-N 3.29Å; K743-H745 PolarHBondContact O-N 2.93Å; K743-A746 PolarHBondContact O-N 2.92Å; K743-I747 HydrophobicContact CG-CD1 4.19Å; K743-I747 WeakPolarHBondContact O-CG1 3.14Å; K743-I747 PolarHBondContact O-N 2.68Å
744	L	91.9	Very high	93	Very high	53 Å²	53	69 Å²	69	28%	0.277	36%	0.356	S	S	.	.	H	α-helix	trans	-58.7	-42.4	174.9	-71.4	167.1	0	0	0	111	V687 M690 I695 Q740 I741 I747 I748	V687-L744 HydrophobicContact CG1-CD2 3.65Å; V687-L744 HydrophobicContact CG1-CG 4.11Å; M690-L744 HydrophobicContact SD-CD2 4.04Å; I695-L744 HydrophobicContact CD1-CB 4.49Å; I695-L744 HydrophobicContact CD1-CD2 3.52Å; I695-L744 HydrophobicContact CG1-CD2 3.81Å; I695-L744 HydrophobicContact CG2-CB 4.48Å; I695-L744 HydrophobicContact CG2-CD2 4.35Å; Q740-L744 VanDerWaalsContact O-CG 3.27Å; Q740-L744 WeakPolarHBondContact O-CG 3.07Å; Q740-L744 PolarHBondContact O-N 3.49Å; I741-L744 PolarHBondContact O-N 3.27Å; I741-L744 VanDerWaalsContact O-N 3.15Å; L744-I747 PolarHBondContact O-N 2.94Å; L744-I748 WeakPolarHBondContact O-CG1 3.41Å; L744-I748 PolarHBondContact O-N 2.99Å
745	H	92.1	Very high	93.1	Very high	115 Å²	115	74.1 Å²	74.1	53%	0.532	38%	0.38	S	S	.	.	H	α-helix	trans	-60.7	-49.2	172.6	-75.4	-69.3	0	0	0	112.5	I741 S742 K743 I747 I748 D749	I741-H745 PolarHBondContact O-CD2 3.42Å; I741-H745 PolarHBondContact O-N 3.49Å; S742-H745 PolarHBondContact O-N 3.22Å; K743-H745 VanDerWaalsContact C-N 3.29Å; K743-H745 PolarHBondContact O-N 2.93Å; H745-I747 VanDerWaalsContact C-N 3.28Å; H745-I747 PolarHBondContact O-N 3.02Å; H745-I748 VanDerWaalsContact O-CG1 3.22Å; H745-I748 WeakPolarHBondContact O-CG1 3.44Å; H745-I748 PolarHBondContact O-N 2.67Å; H745-I748 VanDerWaalsContact O-N 3.12Å; H745-D749 VanDerWaalsContact O-CB 3.24Å; H745-D749 WeakPolarHBondContact O-CB 3.29Å; H745-D749 PolarHBondContact O-N 2.8Å
746	A	94.8	Very high	93.3	Very high	8 Å²	8	72.3 Å²	72.3	7%	0.066	37%	0.371	C	S	.	.	H	α-helix	trans	-61.7	-32	178.6	0	0	0	0	0	113.5	F734 I737 S742 K743 R774	F734-A746 HydrophobicContact CD1-CB 3.91Å; F734-A746 HydrophobicContact CE1-CB 4.15Å; F734-A746 WeakPolarHBondContact CE1-O 3.4Å; I737-A746 HydrophobicContact CD1-CB 3.33Å; S742-A746 WeakPolarHBondContact O-CB 3.45Å; S742-A746 PolarHBondContact O-N 3.49Å; K743-A746 PolarHBondContact O-N 2.92Å; A746-R774 PolarHBondContact O-NH2 2.92Å
747	I	95.4	Very high	93.5	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-64.8	-44.3	173.6	-69.9	162.1	0	0	0	110.7	V687 P692 I695 W718 F734 K743 L744 H745 R774	V687-I747 HydrophobicContact CG1-CD1 4.32Å; P692-I747 HydrophobicContact CB-CG2 3.96Å; I695-I747 HydrophobicContact CD1-CB 3.85Å; I695-I747 HydrophobicContact CD1-CD1 4.16Å; I695-I747 HydrophobicContact CD1-CG2 3.54Å; W718-I747 HydrophobicContact CZ2-CG2 3.94Å; F734-I747 HydrophobicContact CD1-CG1 4.2Å; F734-I747 HydrophobicContact CD2-CD1 4.37Å; F734-I747 HydrophobicContact CD2-CG1 3.57Å; F734-I747 HydrophobicContact CE1-CG1 4.31Å; F734-I747 HydrophobicContact CE2-CG1 3.73Å; F734-I747 HydrophobicContact CG-CG1 3.83Å; F734-I747 HydrophobicContact CZ-CG1 4.1Å; K743-I747 HydrophobicContact CG-CD1 4.19Å; K743-I747 WeakPolarHBondContact O-CG1 3.14Å; K743-I747 PolarHBondContact O-N 2.68Å; L744-I747 PolarHBondContact O-N 2.94Å; H745-I747 VanDerWaalsContact C-N 3.28Å; H745-I747 PolarHBondContact O-N 3.02Å; I747-R774 PolarHBondContact O-NE 3.17Å
748	I	94.4	Very high	93.7	Very high	36 Å²	36	74.6 Å²	74.6	19%	0.185	39%	0.39	C	S	.	.	H	α-helix	trans	-84.3	-27	-174.9	63.4	174.4	0	0	0	115.3	P692 I695 K696 L744 H745	P692-I748 HydrophobicContact CB-CG2 4.2Å; I695-I748 HydrophobicContact CB-CG2 3.6Å; I695-I748 HydrophobicContact CD1-CG2 3.94Å; I695-I748 HydrophobicContact CG1-CG2 4.36Å; I695-I748 HydrophobicContact CG2-CD1 4.48Å; I695-I748 HydrophobicContact CG2-CG2 3.61Å; K696-I748 WeakPolarHBondContact CE-O 3.38Å; K696-I748 HydrophobicContact CG-CB 4.45Å; K696-I748 HydrophobicContact CG-CG2 4.06Å; K696-I748 PolarHBondContact NZ-O 2.69Å; L744-I748 WeakPolarHBondContact O-CG1 3.41Å; L744-I748 PolarHBondContact O-N 2.99Å; H745-I748 VanDerWaalsContact O-CG1 3.22Å; H745-I748 WeakPolarHBondContact O-CG1 3.44Å; H745-I748 PolarHBondContact O-N 2.67Å; H745-I748 VanDerWaalsContact O-N 3.12Å
749	D	94.3	Very high	94.1	Very high	54 Å²	54	68.5 Å²	68.5	29%	0.289	36%	0.359	S	S	.	.			trans	-70.7	120.9	-176.1	172.9	30	0	0	0	111.7	H745 N751 H752 R774	H745-D749 VanDerWaalsContact O-CB 3.24Å; H745-D749 WeakPolarHBondContact O-CB 3.29Å; H745-D749 PolarHBondContact O-N 2.8Å; D749-N751 VanDerWaalsContact C-N 3.25Å; D749-N751 PolarHBondContact O-N 3.47Å; D749-N751 WeakPolarHBondContact OD1-CB 3.33Å; D749-N751 PolarHBondContact OD1-N 3.23Å; D749-N751 PolarHBondContact OD1-ND2 3.04Å; D749-H752 HydrophobicContact CB-CB 4.41Å; D749-H752 PolarHBondContact OD2-N 2.62Å; D749-H752 VanDerWaalsContact OD2-N 3.08Å; D749-R774 PolarHBondContact O-NE 3.13Å; D749-R774 PolarHBondContact O-NH1 2.98Å; D749-R774 PolarHBondContact O-NH2 3.4Å
750	P	94	Very high	94.5	Very high	98 Å²	98	70.7 Å²	70.7	64%	0.636	38%	0.378	S	S	*	.	S	Bend	trans	-65.8	-24.9	175.9	28.7	-35.8	0	0	0	113.8
751	N	95.3	Very high	94.9	Very high	134 Å²	134	70.1 Å²	70.1	72%	0.717	38%	0.375	S	S	*	.	S	Bend	trans	-79.7	-25.2	-173.9	-51.3	-76	0	0	0	113.1	D749 E753	D749-N751 VanDerWaalsContact C-N 3.25Å; D749-N751 PolarHBondContact O-N 3.47Å; D749-N751 WeakPolarHBondContact OD1-CB 3.33Å; D749-N751 PolarHBondContact OD1-N 3.23Å; D749-N751 PolarHBondContact OD1-ND2 3.04Å; N751-E753 PolarHBondContact O-N 3.18Å
752	H	96	Very high	95.3	Very high	56 Å²	56	69.6 Å²	69.6	26%	0.259	37%	0.369	S	S	.	.	S	Bend	trans	-71.8	95.6	172.7	-173	101.3	0	0	0	110.3	F734 D749 R774	F734-H752 AromaticContact CD1-NE2 3.85Å; F734-H752 AromaticContact CE1-CD2 3.63Å; F734-H752 AromaticContact CE1-NE2 3.84Å; D749-H752 HydrophobicContact CB-CB 4.41Å; D749-H752 PolarHBondContact OD2-N 2.62Å; D749-H752 VanDerWaalsContact OD2-N 3.08Å; H752-R774 PolarHBondContact O-NH1 3.11Å; H752-R774 PolarHBondContact O-NH2 3.14Å
753	E	96.3	Very high	95.6	Very high	172 Å²	172	69.6 Å²	69.6	80%	0.804	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-66	143.6	177.1	-62.4	-161.5	155.5	0	0	112	N751	N751-E753 PolarHBondContact O-N 3.18Å
754	I	98.1	Very high	95.9	Very high	25 Å²	25	69.1 Å²	69.1	13%	0.128	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-89.5	125.7	172.8	-62.9	172.8	0	0	0	107.6	W718 Y725 P733 F734 F756 L772	W718-I754 HydrophobicContact CH2-CD1 4.22Å; Y725-I754 HydrophobicContact CE2-CG2 4.17Å; P733-I754 HydrophobicContact CB-CG2 4.08Å; F734-I754 HydrophobicContact CE1-CG1 4.34Å; F734-I754 HydrophobicContact CE2-CD1 4.19Å; F734-I754 HydrophobicContact CZ-CD1 3.78Å; F734-I754 HydrophobicContact CZ-CG1 3.82Å; I754-F756 HydrophobicContact CB-CE2 3.77Å; I754-F756 HydrophobicContact CB-CZ 4.01Å; I754-F756 HydrophobicContact CG2-CD2 4.39Å; I754-F756 HydrophobicContact CG2-CE1 4.19Å; I754-F756 HydrophobicContact CG2-CE2 3.76Å; I754-F756 HydrophobicContact CG2-CZ 3.63Å; I754-F756 WeakPolarHBondContact O-CD2 3.45Å; I754-F756 VanDerWaalsContact O-CE2 3.3Å; I754-F756 WeakPolarHBondContact O-CE2 3.37Å; I754-L772 HydrophobicContact CD1-CB 4.02Å; I754-L772 HydrophobicContact CG2-CD1 4.46Å
755	E	97.6	Very high	96.2	Very high	111 Å²	111	67.5 Å²	67.5	52%	0.519	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-60.4	135.4	172.9	-59.4	178.9	147	0	0	110.7	Y725 K731	Y725-E755 WeakPolarHBondContact CE2-O 3.47Å; Y725-E755 PolarHBondContact OH-O 3.35Å; K731-E755 IonicContact NZ-OE2 3.27Å; K731-E755 PolarHBondContact NZ-OE2 3.5Å
756	F	97.9	Very high	96.5	Very high	47 Å²	47	65.1 Å²	65.1	21%	0.206	34%	0.344	C	S	.	.			trans	-129.8	72.7	167.4	-64.5	-83.9	0	0	0	110.4	Y725 I754 Q765 L768 K769 L772	Y725-F756 HydrophobicContact CD2-CE1 4.3Å; Y725-F756 HydrophobicContact CE2-CD1 4.21Å; Y725-F756 HydrophobicContact CE2-CE1 4.25Å; I754-F756 HydrophobicContact CB-CE2 3.77Å; I754-F756 HydrophobicContact CB-CZ 4.01Å; I754-F756 HydrophobicContact CG2-CD2 4.39Å; I754-F756 HydrophobicContact CG2-CE1 4.19Å; I754-F756 HydrophobicContact CG2-CE2 3.76Å; I754-F756 HydrophobicContact CG2-CZ 3.63Å; I754-F756 WeakPolarHBondContact O-CD2 3.45Å; I754-F756 VanDerWaalsContact O-CE2 3.3Å; I754-F756 WeakPolarHBondContact O-CE2 3.37Å; F756-Q765 PolarHBondContact O-NE2 2.58Å; F756-L768 HydrophobicContact CD1-CB 4.08Å; F756-L768 HydrophobicContact CE1-CB 3.91Å; F756-K769 HydrophobicContact CB-CG 4.46Å; F756-K769 HydrophobicContact CD1-CG 3.79Å; F756-K769 HydrophobicContact CD2-CG 3.78Å; F756-K769 HydrophobicContact CE1-CG 3.88Å; F756-K769 HydrophobicContact CE2-CG 3.87Å; F756-K769 HydrophobicContact CG-CD 4.44Å; F756-K769 HydrophobicContact CG-CG 3.75Å; F756-K769 HydrophobicContact CZ-CB 4.45Å; F756-K769 HydrophobicContact CZ-CG 3.92Å; F756-L772 HydrophobicContact CE1-CD1 4.12Å; F756-L772 HydrophobicContact CZ-CB 4.18Å; F756-L772 HydrophobicContact CZ-CD1 4.26Å
757	P	97.7	Very high	96.7	Very high	59 Å²	59	64.8 Å²	64.8	38%	0.383	34%	0.341	S	S	.	.			trans	-50.1	143.7	-178.4	-26.3	34.4	0	0	0	112.3	Y729	Y729-P757 HydrophobicContact CD1-CB 4.33Å; Y729-P757 HydrophobicContact CD1-CG 4.27Å; Y729-P757 HydrophobicContact CE1-CB 3.81Å; Y729-P757 HydrophobicContact CE1-CG 4.04Å; Y729-P757 WeakPolarHBondContact CE1-O 3.41Å; Y729-P757 PolarHBondContact OH-O 3.23Å
758	D	96.9	Very high	96.8	Very high	120 Å²	120	64.8 Å²	64.8	64%	0.642	34%	0.341	S	S	*	.			trans	-72.6	135.5	-170	-159.6	52	0	0	0	112.6	K762 Q765	D758-K762 IonicContact OD1-NZ 2.63Å; D758-K762 PolarHBondContact OD1-NZ 2.88Å; D758-K762 IonicContact OD2-NZ 2.78Å; D758-K762 PolarHBondContact OD2-NZ 3Å; D758-Q765 PolarHBondContact OD1-NE2 2.91Å; D758-Q765 PolarHBondContact OD1-OE1 3.21Å
759	I	96.9	Very high	97	Very high	27 Å²	27	67 Å²	67	14%	0.138	35%	0.349	C	S	.	.			trans	-133.9	158.1	-174.8	57	173.8	0	0	0	111.2	T728 Y729 E761 K762 L764 Q765	T728-I759 HydrophobicContact CG2-CD1 3.85Å; Y729-I759 HydrophobicContact CE1-CG2 3.82Å; I759-E761 PolarHBondContact O-N 3.48Å; I759-K762 WeakPolarHBondContact O-CE 3.35Å; I759-K762 PolarHBondContact O-NZ 3.23Å; I759-L764 HydrophobicContact CD1-CB 4.13Å; I759-L764 HydrophobicContact CD1-CD2 3.96Å; I759-L764 HydrophobicContact CD1-CG 3.93Å; I759-Q765 HydrophobicContact CD1-CB 4.09Å; I759-Q765 HydrophobicContact CG1-CB 4Å; I759-Q765 HydrophobicContact CG1-CG 4.27Å
760	P	95.8	Very high	97.2	Very high	131 Å²	131	65.2 Å²	65.2	85%	0.851	34%	0.341	S	S	*	.	S	Bend	trans	-63.2	-37.5	177.2	-23.9	35	0	0	0	113.6	K762	P760-K762 PolarHBondContact O-N 3.03Å
761	E	95.6	Very high	97.5	Very high	45 Å²	45	60.5 Å²	60.5	21%	0.21	31%	0.311	C	S	.	.			trans	-77.7	83.7	179.5	-64.8	-176.3	100.9	0	0	111	R624 I759 D763 L764 Q765 Y790	R624-E761 IonicContact CZ-OE2 3.51Å; R624-E761 IonicContact NE-OE2 2.67Å; R624-E761 IonicContact NH2-OE2 3.76Å; R624-E761 PolarHBondContact NH2-OE2 2.78Å; I759-E761 PolarHBondContact O-N 3.48Å; E761-D763 VanDerWaalsContact C-N 3.3Å; E761-D763 PolarHBondContact O-N 3.09Å; E761-L764 HydrophobicContact CB-CB 3.7Å; E761-L764 HydrophobicContact CB-CD2 4.26Å; E761-L764 WeakPolarHBondContact O-CB 3.43Å; E761-L764 PolarHBondContact O-N 3.47Å; E761-L764 VanDerWaalsContact O-N 3.11Å; E761-L764 WeakPolarHBondContact OE2-CD2 3.27Å; E761-Q765 PolarHBondContact O-N 2.92Å; E761-Q765 VanDerWaalsContact O-N 3.15Å; E761-Y790 WeakPolarHBondContact OE1-CE2 3.39Å
762	K	97	Very high	97.6	Very high	102 Å²	102	54.6 Å²	54.6	44%	0.443	28%	0.279	S	S	.	.	H	α-helix	trans	-60	-37.6	-179.6	-60.1	-49.7	-175.5	-161	0	113.2	D758 I759 P760 L764 Q765 D766	D758-K762 IonicContact OD1-NZ 2.63Å; D758-K762 PolarHBondContact OD1-NZ 2.88Å; D758-K762 IonicContact OD2-NZ 2.78Å; D758-K762 PolarHBondContact OD2-NZ 3Å; I759-K762 WeakPolarHBondContact O-CE 3.35Å; I759-K762 PolarHBondContact O-NZ 3.23Å; P760-K762 PolarHBondContact O-N 3.03Å; K762-L764 VanDerWaalsContact C-N 3.28Å; K762-L764 PolarHBondContact O-N 3.4Å; K762-Q765 WeakPolarHBondContact O-CB 3.45Å; K762-Q765 PolarHBondContact O-N 2.64Å; K762-Q765 VanDerWaalsContact O-N 3.16Å; K762-D766 PolarHBondContact O-N 3.12Å
763	D	97.4	Very high	97.7	Very high	59 Å²	59	56.2 Å²	56.2	32%	0.316	29%	0.285	S	S	.	.	H	α-helix	trans	-62.4	-35.4	176.1	-50.6	-47.7	0	0	0	112.3	E761 D766 V767 H788 Y790	E761-D763 VanDerWaalsContact C-N 3.3Å; E761-D763 PolarHBondContact O-N 3.09Å; D763-D766 PolarHBondContact O-N 3.13Å; D763-V767 WeakPolarHBondContact O-CG2 3.3Å; D763-V767 PolarHBondContact O-N 3.32Å; D763-H788 WeakPolarHBondContact CA-CE1 3.39Å; D763-H788 WeakPolarHBondContact CB-CE1 3.49Å; D763-H788 PolarHBondContact O-CE1 3.47Å; D763-Y790 HydrophobicContact CB-CD2 4.17Å; D763-Y790 HydrophobicContact CB-CG 4.44Å
764	L	98.1	Very high	97.7	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-67.2	-42.7	174.9	175	55.7	0	0	0	110.8	R624 L724 T728 I759 E761 K762 D766 V767 L768 Y790	R624-L764 VanDerWaalsContact NE-CD2 3.33Å; L724-L764 HydrophobicContact CD1-CD1 3.94Å; L724-L764 HydrophobicContact CD2-CD1 3.56Å; L724-L764 HydrophobicContact CG-CD1 3.76Å; T728-L764 HydrophobicContact CG2-CD2 3.87Å; T728-L764 HydrophobicContact CG2-CG 4.34Å; I759-L764 HydrophobicContact CD1-CB 4.13Å; I759-L764 HydrophobicContact CD1-CD2 3.96Å; I759-L764 HydrophobicContact CD1-CG 3.93Å; E761-L764 HydrophobicContact CB-CB 3.7Å; E761-L764 HydrophobicContact CB-CD2 4.26Å; E761-L764 WeakPolarHBondContact O-CB 3.43Å; E761-L764 PolarHBondContact O-N 3.47Å; E761-L764 VanDerWaalsContact O-N 3.11Å; E761-L764 WeakPolarHBondContact OE2-CD2 3.27Å; K762-L764 VanDerWaalsContact C-N 3.28Å; K762-L764 PolarHBondContact O-N 3.4Å; L764-D766 VanDerWaalsContact C-N 3.27Å; L764-D766 PolarHBondContact O-N 3.49Å; L764-V767 PolarHBondContact O-N 3.35Å; L764-L768 HydrophobicContact CD1-CD1 4.16Å; L764-L768 HydrophobicContact CD1-CG 4.2Å; L764-L768 HydrophobicContact CG-CD1 4.16Å; L764-L768 VanDerWaalsContact O-CG 3.24Å; L764-L768 WeakPolarHBondContact O-CG 3.5Å; L764-L768 PolarHBondContact O-N 2.9Å; L764-Y790 HydrophobicContact CB-CD2 3.88Å; L764-Y790 HydrophobicContact CB-CE2 3.67Å; L764-Y790 HydrophobicContact CD1-CD1 4.5Å; L764-Y790 HydrophobicContact CD1-CE1 3.95Å; L764-Y790 HydrophobicContact CD1-CE2 4.31Å; L764-Y790 HydrophobicContact CD2-CE2 4.4Å; L764-Y790 HydrophobicContact CG-CE2 4.34Å
765	Q	98.2	Very high	97.6	Very high	19 Å²	19	52.3 Å²	52.3	9%	0.089	27%	0.267	C	S	.	.	H	α-helix	trans	-63.3	-33.9	177.2	-154.5	-168	23	0	0	111.7	F756 D758 I759 E761 K762 K769	F756-Q765 PolarHBondContact O-NE2 2.58Å; D758-Q765 PolarHBondContact OD1-NE2 2.91Å; D758-Q765 PolarHBondContact OD1-OE1 3.21Å; I759-Q765 HydrophobicContact CD1-CB 4.09Å; I759-Q765 HydrophobicContact CG1-CB 4Å; I759-Q765 HydrophobicContact CG1-CG 4.27Å; E761-Q765 PolarHBondContact O-N 2.92Å; E761-Q765 VanDerWaalsContact O-N 3.15Å; K762-Q765 WeakPolarHBondContact O-CB 3.45Å; K762-Q765 PolarHBondContact O-N 2.64Å; K762-Q765 VanDerWaalsContact O-N 3.16Å; Q765-K769 WeakPolarHBondContact O-CD 3.35Å; Q765-K769 VanDerWaalsContact O-CG 3.29Å; Q765-K769 WeakPolarHBondContact O-CG 3.32Å; Q765-K769 PolarHBondContact O-N 3.23Å
766	D	98.5	Very high	97.5	Very high	65 Å²	65	48.5 Å²	48.5	35%	0.348	25%	0.252	S	S	.	.	H	α-helix	trans	-70.2	-48.1	172.1	-173.3	78.4	0	0	0	112.4	K762 D763 L764 L768 K769 C770 H788	K762-D766 PolarHBondContact O-N 3.12Å; D763-D766 PolarHBondContact O-N 3.13Å; L764-D766 VanDerWaalsContact C-N 3.27Å; L764-D766 PolarHBondContact O-N 3.49Å; D766-L768 PolarHBondContact O-N 3.33Å; D766-K769 PolarHBondContact O-N 3.47Å; D766-K769 VanDerWaalsContact O-N 3.09Å; D766-C770 WeakPolarHBondContact O-CB 3.34Å; D766-C770 PolarHBondContact O-N 2.95Å; D766-H788 WeakPolarHBondContact CB-NE2 3.4Å; D766-H788 IonicContact OD2-CD2 2.65Å; D766-H788 IonicContact OD2-CE1 3.52Å; D766-H788 IonicContact OD2-NE2 3.71Å; D766-H788 PolarHBondContact OD2-NE2 2.99Å
767	V	98.7	Very high	97.4	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-51.1	-46.8	174.6	168.4	0	0	0	0	110.7	W628 L724 D763 L764 C770 C771 L785 H788 Y790	W628-V767 HydrophobicContact CH2-CG1 4.43Å; W628-V767 HydrophobicContact CZ2-CG1 3.61Å; L724-V767 HydrophobicContact CD2-CB 4.39Å; L724-V767 HydrophobicContact CD2-CG1 3.5Å; D763-V767 WeakPolarHBondContact O-CG2 3.3Å; D763-V767 PolarHBondContact O-N 3.32Å; L764-V767 PolarHBondContact O-N 3.35Å; V767-C770 PolarHBondContact O-N 2.91Å; V767-C771 WeakPolarHBondContact O-CB 3.19Å; V767-C771 PolarHBondContact O-N 2.89Å; V767-C771 PolarHBondContact O-SG 2.79Å; V767-L785 HydrophobicContact CG1-CD2 3.82Å; V767-L785 HydrophobicContact CG2-CD2 4.25Å; V767-H788 WeakPolarHBondContact CG2-ND1 3.29Å; V767-Y790 HydrophobicContact CG2-CD1 4.29Å; V767-Y790 HydrophobicContact CG2-CG 4.3Å
768	L	98.8	Very high	97.3	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-61	-46.1	179.4	-70.1	171.3	0	0	0	112.3	L724 Y725 T728 Y729 F756 L764 D766 L772	L724-L768 HydrophobicContact CB-CD2 3.91Å; L724-L768 HydrophobicContact CD2-CD2 3.89Å; L724-L768 HydrophobicContact CD2-CG 4.32Å; L724-L768 HydrophobicContact CG-CD2 3.8Å; Y725-L768 HydrophobicContact CD2-CD2 4.4Å; Y725-L768 VanDerWaalsContact N-CD2 3.34Å; T728-L768 HydrophobicContact CG2-CD1 3.93Å; Y729-L768 HydrophobicContact CE2-CD1 3.84Å; F756-L768 HydrophobicContact CD1-CB 4.08Å; F756-L768 HydrophobicContact CE1-CB 3.91Å; L764-L768 HydrophobicContact CD1-CD1 4.16Å; L764-L768 HydrophobicContact CD1-CG 4.2Å; L764-L768 HydrophobicContact CG-CD1 4.16Å; L764-L768 VanDerWaalsContact O-CG 3.24Å; L764-L768 WeakPolarHBondContact O-CG 3.5Å; L764-L768 PolarHBondContact O-N 2.9Å; D766-L768 PolarHBondContact O-N 3.33Å; L768-L772 WeakPolarHBondContact O-CB 3.47Å; L768-L772 WeakPolarHBondContact O-CG 3.38Å; L768-L772 PolarHBondContact O-N 2.68Å; L768-L772 VanDerWaalsContact O-N 3.09Å
769	K	98.6	Very high	97.4	Very high	83 Å²	83	52.3 Å²	52.3	36%	0.361	26%	0.258	S	S	.	.	H	α-helix	trans	-63.6	-42.2	175.7	-71.9	166.6	-176.4	171	0	111.7	F756 Q765 D766 L772 K773	F756-K769 HydrophobicContact CB-CG 4.46Å; F756-K769 HydrophobicContact CD1-CG 3.79Å; F756-K769 HydrophobicContact CD2-CG 3.78Å; F756-K769 HydrophobicContact CE1-CG 3.88Å; F756-K769 HydrophobicContact CE2-CG 3.87Å; F756-K769 HydrophobicContact CG-CD 4.44Å; F756-K769 HydrophobicContact CG-CG 3.75Å; F756-K769 HydrophobicContact CZ-CB 4.45Å; F756-K769 HydrophobicContact CZ-CG 3.92Å; Q765-K769 WeakPolarHBondContact O-CD 3.35Å; Q765-K769 VanDerWaalsContact O-CG 3.29Å; Q765-K769 WeakPolarHBondContact O-CG 3.32Å; Q765-K769 PolarHBondContact O-N 3.23Å; D766-K769 PolarHBondContact O-N 3.47Å; D766-K769 VanDerWaalsContact O-N 3.09Å; K769-L772 PolarHBondContact O-N 3Å; K769-K773 PolarHBondContact O-N 2.72Å
770	C	98.7	Very high	97.5	Very high	16 Å²	16	52.1 Å²	52.1	11%	0.108	26%	0.257	C	S	.	.	H	α-helix	trans	-70.9	-33.6	-178.8	-81.2	0	0	0	0	113.6	D766 V767 I780	D766-C770 WeakPolarHBondContact O-CB 3.34Å; D766-C770 PolarHBondContact O-N 2.95Å; V767-C770 PolarHBondContact O-N 2.91Å; C770-I780 HydrophobicContact CB-CB 4.05Å; C770-I780 HydrophobicContact CB-CD1 4.21Å; C770-I780 HydrophobicContact CB-CG2 3.97Å; C770-I780 WeakPolarHBondContact O-CG2 3.15Å; C770-I780 PolarHBondContact O-N 3.24Å; C770-I780 VanDerWaalsContact O-N 3.11Å
771	C	98.8	Very high	97.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-74.1	-34.2	172.9	-69.5	0	0	0	0	113.2	V717 V767 R779	V717-C771 HydrophobicContact CG1-CB 4.11Å; V767-C771 WeakPolarHBondContact O-CB 3.19Å; V767-C771 PolarHBondContact O-N 2.89Å; V767-C771 PolarHBondContact O-SG 2.79Å; C771-R779 VanDerWaalsContact O-CD 3.26Å; C771-R779 WeakPolarHBondContact O-CD 3.2Å; C771-R779 WeakPolarHBondContact O-CG 3.45Å
772	L	98.6	Very high	97.7	Very high	9 Å²	9	45.2 Å²	45.2	5%	0.047	22%	0.217	C	C	.	.	S	Bend	trans	-97.6	20.3	-175.1	-61.7	178.8	0	0	0	114	W718 Y725 P733 I754 F756 L768 K769 R774	W718-L772 HydrophobicContact CD2-CD2 3.96Å; W718-L772 HydrophobicContact CE3-CD2 4.06Å; W718-L772 HydrophobicContact CG-CD2 4.41Å; W718-L772 HydrophobicContact CZ3-CB 4.39Å; W718-L772 HydrophobicContact CZ3-CD2 4.42Å; W718-L772 VanDerWaalsContact CZ3-O 3.27Å; W718-L772 WeakPolarHBondContact CZ3-O 3.36Å; Y725-L772 HydrophobicContact CD2-CD1 3.88Å; Y725-L772 HydrophobicContact CG-CD1 4.35Å; P733-L772 HydrophobicContact CG-CD1 3.71Å; I754-L772 HydrophobicContact CD1-CB 4.02Å; I754-L772 HydrophobicContact CG2-CD1 4.46Å; F756-L772 HydrophobicContact CE1-CD1 4.12Å; F756-L772 HydrophobicContact CZ-CB 4.18Å; F756-L772 HydrophobicContact CZ-CD1 4.26Å; L768-L772 WeakPolarHBondContact O-CB 3.47Å; L768-L772 WeakPolarHBondContact O-CG 3.38Å; L768-L772 PolarHBondContact O-N 2.68Å; L768-L772 VanDerWaalsContact O-N 3.09Å; K769-L772 PolarHBondContact O-N 3Å; L772-R774 PolarHBondContact O-N 3.5Å
773	K	98.4	Very high	97.8	Very high	90 Å²	90	43.8 Å²	43.8	39%	0.391	22%	0.218	S	C	.	.			trans	-67	127.4	165.1	-76	169.5	-177.9	173	0	110.1	K769 Q778 R779	K769-K773 PolarHBondContact O-N 2.72Å; K773-Q778 HydrophobicContact CD-CB 4.24Å; K773-Q778 WeakPolarHBondContact CD-O 3.38Å; K773-R779 HydrophobicContact CB-CB 4.24Å; K773-R779 PolarHBondContact O-NE 3.05Å
774	R	96.4	Very high	97.8	Very high	45 Å²	45	45.9 Å²	45.9	17%	0.17	23%	0.226	C	C	.	.	S	Bend	trans	-65.4	-42.4	-175.7	-73.8	-175.9	172	101.4	-1.4	113.8	P692 W718 A746 I747 D749 H752 L772 P776 R779	P692-R774 HydrophobicContact CG-CB 4.34Å; P692-R774 HydrophobicContact CG-CG 4.44Å; P692-R774 WeakPolarHBondContact CG-O 3.25Å; W718-R774 HydrophobicContact CH2-CG 4.11Å; W718-R774 HydrophobicContact CZ3-CG 4.05Å; A746-R774 PolarHBondContact O-NH2 2.92Å; I747-R774 PolarHBondContact O-NE 3.17Å; D749-R774 PolarHBondContact O-NE 3.13Å; D749-R774 PolarHBondContact O-NH1 2.98Å; D749-R774 PolarHBondContact O-NH2 3.4Å; H752-R774 PolarHBondContact O-NH1 3.11Å; H752-R774 PolarHBondContact O-NH2 3.14Å; L772-R774 PolarHBondContact O-N 3.5Å; R774-P776 WeakPolarHBondContact O-CD 3.48Å; R774-R779 PolarHBondContact O-NH2 3.15Å
775	D	95.2	Very high	97.9	Very high	71 Å²	71	45.9 Å²	45.9	38%	0.38	23%	0.226	S	C	.	.	S	Bend	trans	-71	117.4	173.7	178.6	-0.9	0	0	0	110.4	K777 Q778 R779	D775-K777 PolarHBondContact O-N 3.33Å; D775-K777 VanDerWaalsContact O-N 3.13Å; D775-K777 WeakPolarHBondContact OD1-CB 3.38Å; D775-K777 PolarHBondContact OD1-N 3.17Å; D775-Q778 HydrophobicContact CB-CB 4.19Å; D775-Q778 HydrophobicContact CB-CG 4.04Å; D775-Q778 PolarHBondContact O-N 3.1Å; D775-Q778 WeakPolarHBondContact OD2-CG 3.15Å; D775-R779 WeakPolarHBondContact O-CB 3.33Å; D775-R779 PolarHBondContact O-N 3.06Å
776	P	95.4	Very high	97.8	Very high	31 Å²	31	46.5 Å²	46.5	20%	0.201	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-22.5	178.2	-22.3	33.9	0	0	0	114.3	E693 K714 R774	E693-P776 HydrophobicContact CB-CG 4.06Å; E693-P776 HydrophobicContact CG-CG 4.08Å; K714-P776 HydrophobicContact CB-CB 3.97Å; K714-P776 VanDerWaalsContact CD-O 3.3Å; K714-P776 WeakPolarHBondContact CD-O 3.25Å; K714-P776 VanDerWaalsContact CG-O 3.27Å; K714-P776 WeakPolarHBondContact CG-O 3.4Å; R774-P776 WeakPolarHBondContact O-CD 3.48Å
777	K	95.3	Very high	97.8	Very high	177 Å²	177	46.6 Å²	46.6	77%	0.77	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-34.3	176	-61.4	176.8	-179.5	175.8	0	112.3	D775	D775-K777 PolarHBondContact O-N 3.33Å; D775-K777 VanDerWaalsContact O-N 3.13Å; D775-K777 WeakPolarHBondContact OD1-CB 3.38Å; D775-K777 PolarHBondContact OD1-N 3.17Å
778	Q	96.8	Very high	97.7	Very high	128 Å²	128	47.8 Å²	47.8	60%	0.598	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-23.9	179.3	-59.9	-62.7	-23.2	0	0	112.6	K773 D775	K773-Q778 HydrophobicContact CD-CB 4.24Å; K773-Q778 WeakPolarHBondContact CD-O 3.38Å; D775-Q778 HydrophobicContact CB-CB 4.19Å; D775-Q778 HydrophobicContact CB-CG 4.04Å; D775-Q778 PolarHBondContact O-N 3.1Å; D775-Q778 WeakPolarHBondContact OD2-CG 3.15Å
779	R	98.4	Very high	97.6	Very high	1 Å²	1	50.6 Å²	50.6	0%	0.004	26%	0.263	C	S	.	.	S	Bend	trans	-58.8	141.1	170.2	-159.3	-177.7	-58.8	155.1	5	110.2	E693 K714 V717 C771 K773 R774 D775	E693-R779 IonicContact OE1-CZ 3.78Å; E693-R779 IonicContact OE1-NH1 3.97Å; E693-R779 PolarHBondContact OE1-NH1 3.35Å; E693-R779 IonicContact OE1-NH2 3.67Å; E693-R779 IonicContact OE2-CZ 2.77Å; E693-R779 IonicContact OE2-NH1 3.7Å; E693-R779 PolarHBondContact OE2-NH1 3.04Å; E693-R779 IonicContact OE2-NH2 3.93Å; E693-R779 PolarHBondContact OE2-NH2 2.91Å; K714-R779 WeakPolarHBondContact CE-O 3.36Å; K714-R779 PolarHBondContact NZ-O 3.02Å; K714-R779 VanDerWaalsContact O-CD 3.26Å; K714-R779 WeakPolarHBondContact O-CD 3.45Å; K714-R779 PolarHBondContact O-NH1 2.85Å; V717-R779 HydrophobicContact CG1-CG 4.23Å; C771-R779 VanDerWaalsContact O-CD 3.26Å; C771-R779 WeakPolarHBondContact O-CD 3.2Å; C771-R779 WeakPolarHBondContact O-CG 3.45Å; K773-R779 HydrophobicContact CB-CB 4.24Å; K773-R779 PolarHBondContact O-NE 3.05Å; R774-R779 PolarHBondContact O-NH2 3.15Å; D775-R779 WeakPolarHBondContact O-CB 3.33Å; D775-R779 PolarHBondContact O-N 3.06Å
780	I	98.6	Very high	97.6	Very high	23 Å²	23	46.7 Å²	46.7	12%	0.118	25%	0.246	C	C	.	.			trans	-66.5	161.9	178	-163.6	163.5	0	0	0	111.8	K714 V717 C770 E784 L785	K714-I780 VanDerWaalsContact CD-O 3.25Å; K714-I780 WeakPolarHBondContact CD-O 3.31Å; V717-I780 HydrophobicContact CG1-CG2 3.95Å; V717-I780 WeakPolarHBondContact CG1-O 3.4Å; C770-I780 HydrophobicContact CB-CB 4.05Å; C770-I780 HydrophobicContact CB-CD1 4.21Å; C770-I780 HydrophobicContact CB-CG2 3.97Å; C770-I780 WeakPolarHBondContact O-CG2 3.15Å; C770-I780 PolarHBondContact O-N 3.24Å; C770-I780 VanDerWaalsContact O-N 3.11Å; I780-E784 HydrophobicContact CD1-CB 3.93Å; I780-E784 HydrophobicContact CG1-CB 3.49Å; I780-E784 VanDerWaalsContact CG1-CB 3.49Å; I780-E784 HydrophobicContact CG1-CG 4.46Å; I780-L785 HydrophobicContact CD1-CD2 3.92Å; I780-L785 HydrophobicContact CD1-CG 4.08Å; I780-L785 HydrophobicContact CG1-CD2 4.4Å; I780-L785 HydrophobicContact CG1-CG 4.09Å; I780-L785 HydrophobicContact CG2-CD1 3.8Å; I780-L785 HydrophobicContact CG2-CD2 3.77Å; I780-L785 HydrophobicContact CG2-CG 3.66Å
781	S	98.6	Very high	97.3	Very high	28 Å²	28	46.8 Å²	46.8	20%	0.196	25%	0.246	C	C	.	.			trans	-106.4	165.1	174.1	67.4	0	0	0	0	112.7	E784 L785	S781-E784 WeakPolarHBondContact CA-OE2 3.49Å; S781-E784 WeakPolarHBondContact CB-OE2 3.49Å; S781-E784 PolarHBondContact N-OE2 2.94Å; S781-E784 PolarHBondContact O-N 2.91Å; S781-E784 VanDerWaalsContact OG-CD 3.23Å; S781-E784 WeakPolarHBondContact OG-CG 3.33Å; S781-E784 PolarHBondContact OG-OE2 3.27Å; S781-L785 WeakPolarHBondContact O-CB 3.3Å; S781-L785 WeakPolarHBondContact O-CG 3.45Å; S781-L785 PolarHBondContact O-N 3.36Å
782	I	98.3	Very high	96.7	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-59.9	-42.7	177.4	-55.8	-68	0	0	0	113	L632 V635 H636 V717 L720 E784 L785 L786	L632-I782 HydrophobicContact CD2-CD1 3.73Å; L632-I782 HydrophobicContact CD2-CG2 4.26Å; V635-I782 HydrophobicContact CG1-CD1 4.12Å; V635-I782 HydrophobicContact CG1-CG1 4.33Å; H636-I782 HydrophobicContact CB-CG2 3.59Å; V717-I782 HydrophobicContact CG2-CD1 3.62Å; V717-I782 HydrophobicContact CG2-CG1 3.85Å; L720-I782 HydrophobicContact CD1-CD1 3.65Å; I782-E784 PolarHBondContact O-N 3.49Å; I782-L785 HydrophobicContact CD1-CD1 4.4Å; I782-L785 PolarHBondContact O-N 3.07Å; I782-L786 HydrophobicContact CG2-CD1 4.03Å; I782-L786 HydrophobicContact CG2-CG 4.34Å; I782-L786 WeakPolarHBondContact O-CB 3.31Å; I782-L786 WeakPolarHBondContact O-CG 3.46Å; I782-L786 PolarHBondContact O-N 3.49Å
783	P	98.3	Very high	95.1	Very high	73 Å²	73	56.1 Å²	56.1	47%	0.474	29%	0.292	S	S	.	.	H	α-helix	trans	-60	-41.8	173.7	-26.9	36.2	0	0	0	113.9	L785 L786 A787	P783-L785 VanDerWaalsContact C-N 3.35Å; P783-L786 PolarHBondContact O-N 2.57Å; P783-A787 PolarHBondContact O-N 3.45Å; P783-A787 VanDerWaalsContact O-N 3.09Å
784	E	98.3	Very high	93.1	Very high	102 Å²	102	60.1 Å²	60.1	48%	0.477	31%	0.312	S	S	.	.	H	α-helix	trans	-66.1	-37.7	176.5	-67.2	162.1	134.3	0	0	111.3	K714 I780 S781 I782 A787 H788	K714-E784 IonicContact NZ-OE2 2.68Å; I780-E784 HydrophobicContact CD1-CB 3.93Å; I780-E784 HydrophobicContact CG1-CB 3.49Å; I780-E784 VanDerWaalsContact CG1-CB 3.49Å; I780-E784 HydrophobicContact CG1-CG 4.46Å; S781-E784 WeakPolarHBondContact CA-OE2 3.49Å; S781-E784 WeakPolarHBondContact CB-OE2 3.49Å; S781-E784 PolarHBondContact N-OE2 2.94Å; S781-E784 PolarHBondContact O-N 2.91Å; S781-E784 VanDerWaalsContact OG-CD 3.23Å; S781-E784 WeakPolarHBondContact OG-CG 3.33Å; S781-E784 PolarHBondContact OG-OE2 3.27Å; I782-E784 PolarHBondContact O-N 3.49Å; E784-A787 CarbonylContact O-C 3.51Å; E784-A787 PolarHBondContact O-N 2.95Å; E784-H788 PolarHBondContact O-N 2.99Å
785	L	98.4	Very high	90.5	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-67.7	-38.7	174.2	-76.9	169.4	0	0	0	113.3	W628 L632 V717 V767 I780 S781 I782 P783 A787 H788 V791	W628-L785 HydrophobicContact CZ2-CD1 4.11Å; W628-L785 HydrophobicContact CZ2-CD2 4.13Å; L632-L785 HydrophobicContact CD1-CB 3.94Å; L632-L785 HydrophobicContact CD2-CB 3.9Å; L632-L785 HydrophobicContact CD2-CD1 3.89Å; V717-L785 HydrophobicContact CG1-CD1 3.88Å; V717-L785 HydrophobicContact CG2-CD1 4.48Å; V767-L785 HydrophobicContact CG1-CD2 3.82Å; V767-L785 HydrophobicContact CG2-CD2 4.25Å; I780-L785 HydrophobicContact CD1-CD2 3.92Å; I780-L785 HydrophobicContact CD1-CG 4.08Å; I780-L785 HydrophobicContact CG1-CD2 4.4Å; I780-L785 HydrophobicContact CG1-CG 4.09Å; I780-L785 HydrophobicContact CG2-CD1 3.8Å; I780-L785 HydrophobicContact CG2-CD2 3.77Å; I780-L785 HydrophobicContact CG2-CG 3.66Å; S781-L785 WeakPolarHBondContact O-CB 3.3Å; S781-L785 WeakPolarHBondContact O-CG 3.45Å; S781-L785 PolarHBondContact O-N 3.36Å; I782-L785 HydrophobicContact CD1-CD1 4.4Å; I782-L785 PolarHBondContact O-N 3.07Å; P783-L785 VanDerWaalsContact C-N 3.35Å; L785-A787 PolarHBondContact O-N 3.02Å; L785-H788 VanDerWaalsContact O-CB 3.31Å; L785-H788 WeakPolarHBondContact O-CB 3.49Å; L785-H788 PolarHBondContact O-N 3.36Å; L785-H788 VanDerWaalsContact O-N 3.16Å; L785-V791 WeakPolarHBondContact O-CG2 3.49Å
786	L	97.7	Very high	87.5	Confident	33 Å²	33	68.5 Å²	68.5	17%	0.173	36%	0.358	C	S	.	.	H	α-helix	trans	-65.3	-29.6	173.5	-75.6	168.7	0	0	0	111.6	L632 E633 H636 I782 P783 Q792	L632-L786 HydrophobicContact CB-CD2 3.66Å; L632-L786 HydrophobicContact CB-CG 4.15Å; L632-L786 HydrophobicContact CD1-CD2 4.18Å; L632-L786 HydrophobicContact CD1-CG 4.46Å; E633-L786 HydrophobicContact CG-CD2 4.43Å; H636-L786 HydrophobicContact CB-CD1 4.05Å; I782-L786 HydrophobicContact CG2-CD1 4.03Å; I782-L786 HydrophobicContact CG2-CG 4.34Å; I782-L786 WeakPolarHBondContact O-CB 3.31Å; I782-L786 WeakPolarHBondContact O-CG 3.46Å; I782-L786 PolarHBondContact O-N 3.49Å; P783-L786 PolarHBondContact O-N 2.57Å; L786-Q792 WeakPolarHBondContact O-CG 3.47Å; L786-Q792 PolarHBondContact O-NE2 2.8Å
787	A	97.3	Very high	84.9	Confident	67 Å²	67	73.6 Å²	73.6	55%	0.554	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-6.5	173.4	0	0	0	0	0	114.2	P783 E784 L785	P783-A787 PolarHBondContact O-N 3.45Å; P783-A787 VanDerWaalsContact O-N 3.09Å; E784-A787 CarbonylContact O-C 3.51Å; E784-A787 PolarHBondContact O-N 2.95Å; L785-A787 PolarHBondContact O-N 3.02Å
788	H	98	Very high	82.1	Confident	25 Å²	25	68 Å²	68	12%	0.116	38%	0.384	C	S	.	.	S	Bend	trans	-69.5	142.3	-172.2	-168.2	-83.4	0	0	0	112.2	D763 D766 V767 E784 L785 Y790 V791 Q792	D763-H788 WeakPolarHBondContact CA-CE1 3.39Å; D763-H788 WeakPolarHBondContact CB-CE1 3.49Å; D763-H788 PolarHBondContact O-CE1 3.47Å; D766-H788 WeakPolarHBondContact CB-NE2 3.4Å; D766-H788 IonicContact OD2-CD2 2.65Å; D766-H788 IonicContact OD2-CE1 3.52Å; D766-H788 IonicContact OD2-NE2 3.71Å; D766-H788 PolarHBondContact OD2-NE2 2.99Å; V767-H788 WeakPolarHBondContact CG2-ND1 3.29Å; E784-H788 PolarHBondContact O-N 2.99Å; L785-H788 VanDerWaalsContact O-CB 3.31Å; L785-H788 WeakPolarHBondContact O-CB 3.49Å; L785-H788 PolarHBondContact O-N 3.36Å; L785-H788 VanDerWaalsContact O-N 3.16Å; H788-Y790 WeakPolarHBondContact ND1-CB 3.49Å; H788-Y790 PolarHBondContact ND1-N 3.36Å; H788-Y790 PolarHBondContact O-N 3.33Å; H788-V791 PolarHBondContact O-N 3.37Å; H788-Q792 PolarHBondContact O-N 2.9Å
789	P	96.7	Very high	79.2	Confident	58 Å²	58	68.2 Å²	68.2	38%	0.377	39%	0.389	S	S	.	.	H	α-helix	trans	-45.8	-38.2	175.7	-33.3	37.2	0	0	0	114.9	V791 Q792 I793	P789-V791 PolarHBondContact O-N 3.47Å; P789-Q792 PolarHBondContact O-N 2.92Å; P789-I793 HydrophobicContact CB-CD1 3.76Å; P789-I793 HydrophobicContact CB-CG1 4.24Å; P789-I793 VanDerWaalsContact O-CB 3.27Å; P789-I793 WeakPolarHBondContact O-CB 3.45Å; P789-I793 VanDerWaalsContact O-CG1 3.23Å; P789-I793 WeakPolarHBondContact O-CG1 3.36Å; P789-I793 PolarHBondContact O-N 3.07Å
790	Y	96.7	Very high	76.4	Confident	1 Å²	1	77.2 Å²	77.2	0%	0.004	43%	0.432	C	S	.	.	H	α-helix	trans	-55.9	-37.2	177.1	-174.7	-118.3	0	0	0	113	K625 W628 E761 D763 L764 V767 H788	K625-Y790 HydrophobicContact CB-CE1 4.42Å; K625-Y790 VanDerWaalsContact CD-O 3.23Å; K625-Y790 WeakPolarHBondContact CD-O 3.21Å; K625-Y790 VanDerWaalsContact CE-CE2 3.46Å; K625-Y790 WeakPolarHBondContact CE-O 3.47Å; K625-Y790 HydrophobicContact CG-CE1 4.28Å; K625-Y790 PolarHBondContact NZ-O 3.3Å; W628-Y790 HydrophobicContact CB-CE1 4.39Å; W628-Y790 AromaticContact CD1-CD1 3.6Å; W628-Y790 AromaticContact CD1-CE1 3.64Å; W628-Y790 HydrophobicContact CG-CE1 4.15Å; W628-Y790 AromaticContact NE1-CD1 3.97Å; E761-Y790 WeakPolarHBondContact OE1-CE2 3.39Å; D763-Y790 HydrophobicContact CB-CD2 4.17Å; D763-Y790 HydrophobicContact CB-CG 4.44Å; L764-Y790 HydrophobicContact CB-CD2 3.88Å; L764-Y790 HydrophobicContact CB-CE2 3.67Å; L764-Y790 HydrophobicContact CD1-CD1 4.5Å; L764-Y790 HydrophobicContact CD1-CE1 3.95Å; L764-Y790 HydrophobicContact CD1-CE2 4.31Å; L764-Y790 HydrophobicContact CD2-CE2 4.4Å; L764-Y790 HydrophobicContact CG-CE2 4.34Å; V767-Y790 HydrophobicContact CG2-CD1 4.29Å; V767-Y790 HydrophobicContact CG2-CG 4.3Å; H788-Y790 WeakPolarHBondContact ND1-CB 3.49Å; H788-Y790 PolarHBondContact ND1-N 3.36Å; H788-Y790 PolarHBondContact O-N 3.33Å
791	V	92.9	Very high	73.8	Confident	18 Å²	18	83.9 Å²	83.9	11%	0.109	46%	0.464	C	S	.	.	H	α-helix	trans	-92.3	-34.1	-178.2	-177.9	0	0	0	0	111.9	K629 L632 L785 H788 P789	K629-V791 HydrophobicContact CB-CG1 4.33Å; K629-V791 HydrophobicContact CD-CG1 4.11Å; K629-V791 HydrophobicContact CG-CG1 4.16Å; L632-V791 HydrophobicContact CD1-CG2 3.92Å; L785-V791 WeakPolarHBondContact O-CG2 3.49Å; H788-V791 PolarHBondContact O-N 3.37Å; P789-V791 PolarHBondContact O-N 3.47Å
792	Q	86.7	Confident	71.4	Confident	120 Å²	120	85.1 Å²	85.1	56%	0.561	48%	0.476	S	S	*	.	H	α-helix	trans	-88.9	-25.8	-173.4	-71.4	-65.2	-22	0	0	114.7	L786 H788 P789 Q794	L786-Q792 WeakPolarHBondContact O-CG 3.47Å; L786-Q792 PolarHBondContact O-NE2 2.8Å; H788-Q792 PolarHBondContact O-N 2.9Å; P789-Q792 PolarHBondContact O-N 2.92Å; Q792-Q794 PolarHBondContact O-N 3.32Å
793	I	64.5	Low	68.8	Low	86 Å²	86	94.6 Å²	94.6	44%	0.441	52%	0.517	S	S	.	.			trans	-69.3	98.2	176.8	-67.3	170.8	0	0	0	109.2	P789	P789-I793 HydrophobicContact CB-CD1 3.76Å; P789-I793 HydrophobicContact CB-CG1 4.24Å; P789-I793 VanDerWaalsContact O-CB 3.27Å; P789-I793 WeakPolarHBondContact O-CB 3.45Å; P789-I793 VanDerWaalsContact O-CG1 3.23Å; P789-I793 WeakPolarHBondContact O-CG1 3.36Å; P789-I793 PolarHBondContact O-N 3.07Å
794	Q	56.3	Low	66.4	Low	174 Å²	174	93 Å²	93	81%	0.813	51%	0.514	S	S	*	.			trans	-60.2	145.6	152.7	-64.7	-172.1	10.7	0	0	109.1	Q792 H796	Q792-Q794 PolarHBondContact O-N 3.32Å; Q794-H796 PolarHBondContact O-N 3.42Å
795	T	43.2	Very low	64.5	Low	122 Å²	122	91.2 Å²	91.2	75%	0.748	51%	0.51	S	S	*	.			trans	-41.7	136.6	171.8	48.8	0	0	0	0	112.5
796	H	32.3	Very low	62.6	Low	169 Å²	169	94.9 Å²	94.9	78%	0.782	53%	0.533	S	S	*	.			trans	-45.9	134.8	173.2	-63.9	-77.5	0	0	0	111	Q794 G798	Q794-H796 PolarHBondContact O-N 3.42Å; H796-G798 PolarHBondContact O-N 2.92Å
797	P	39.6	Very low	60.7	Low	138 Å²	138	98.6 Å²	98.6	90%	0.896	55%	0.549	S	S	*	.	S	Bend	trans	-73.2	53.1	163.8	32.9	-35.2	0	0	0	109.8
798	G	37.6	Very low	58.9	Low	60 Å²	60	99.5 Å²	99.5	62%	0.619	54%	0.542	S	S	*	.			trans	-135.7	24.4	-157.2	0	0	0	0	0	113.7	H796	H796-G798 PolarHBondContact O-N 2.92Å
799	N	34.8	Very low	57.1	Low	132 Å²	132	104.7 Å²	104.7	71%	0.706	57%	0.568	S	S	*	*			trans	-141.5	98.3	160.9	-147.5	-2.4	0	0	0	110.2	M801	N799-M801 PolarHBondContact O-N 3.47Å
800	Q	39.9	Very low	55.5	Low	191 Å²	191	107.6 Å²	107.6	89%	0.893	57%	0.574	S	S	*	*			trans	-80.7	60.2	-177.4	-66	-166.4	38.2	0	0	112
801	M	44.8	Very low	54.1	Low	163 Å²	163	115.2 Å²	115.2	80%	0.803	60%	0.604	S	S	*	*			trans	-127.7	36.4	172.1	-68.2	-164.2	177.9	0	0	112	N799	N799-M801 PolarHBondContact O-N 3.47Å
802	A	46.8	Very low	52.8	Low	53 Å²	53	115.9 Å²	115.9	44%	0.438	61%	0.608	S	S	.	*			trans	-138.3	10.9	-173.7	0	0	0	0	0	116	T805 T806	A802-T805 WeakPolarHBondContact CA-OG1 3.49Å; A802-T805 PolarHBondContact O-OG1 2.85Å; A802-T806 PolarHBondContact O-OG1 2.85Å; A802-T806 VanDerWaalsContact O-OG1 3.11Å
803	K	44.9	Very low	51.8	Low	201 Å²	201	115.2 Å²	115.2	87%	0.874	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	-11.4	173.1	-88.5	-171.9	174.6	-179.9	0	114.6
804	G	47.2	Very low	52	Low	40 Å²	40	113.3 Å²	113.3	41%	0.412	61%	0.61	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.2	-46.9	168	0	0	0	0	0	112.2	T806 E807 E808	G804-T806 VanDerWaalsContact C-N 3.26Å; G804-T806 PolarHBondContact O-N 3.17Å; G804-T806 VanDerWaalsContact O-N 3.11Å; G804-E807 PolarHBondContact O-N 3.47Å; G804-E807 VanDerWaalsContact O-N 3.11Å; G804-E808 PolarHBondContact O-N 3.15Å
805	T	58	Low	52.5	Low	65 Å²	65	110 Å²	110	40%	0.399	59%	0.594	S	S	.	*	H	α-helix	trans	-60.3	-27	-171.3	53.9	0	0	0	0	114.7	A802 M809	A802-T805 WeakPolarHBondContact CA-OG1 3.49Å; A802-T805 PolarHBondContact O-OG1 2.85Å; T805-M809 WeakPolarHBondContact O-CB 3.3Å; T805-M809 WeakPolarHBondContact O-CG 3.43Å; T805-M809 PolarHBondContact O-N 3.43Å
806	T	58.7	Low	53.7	Low	77 Å²	77	106 Å²	106	47%	0.472	57%	0.568	S	S	.	*	H	α-helix	trans	-72.2	-38	177.8	-7.1	0	0	0	0	112.7	A802 G804 K810	A802-T806 PolarHBondContact O-OG1 2.85Å; A802-T806 VanDerWaalsContact O-OG1 3.11Å; G804-T806 VanDerWaalsContact C-N 3.26Å; G804-T806 PolarHBondContact O-N 3.17Å; G804-T806 VanDerWaalsContact O-N 3.11Å; T806-K810 WeakPolarHBondContact O-CD 3.4Å; T806-K810 VanDerWaalsContact O-CG 3.27Å; T806-K810 WeakPolarHBondContact O-CG 3.36Å; T806-K810 PolarHBondContact O-N 3.03Å; T806-K810 VanDerWaalsContact O-N 3.11Å
807	E	57.5	Low	55.5	Low	110 Å²	110	103.9 Å²	103.9	51%	0.514	57%	0.567	S	S	.	*	H	α-helix	trans	-80.2	-32.4	175.6	-58.9	-49.6	130.3	0	0	111.4	G804 K810 Y811	G804-E807 PolarHBondContact O-N 3.47Å; G804-E807 VanDerWaalsContact O-N 3.11Å; E807-K810 PolarHBondContact O-N 3.41Å; E807-K810 IonicContact OE1-NZ 3.23Å; E807-K810 PolarHBondContact OE1-NZ 3.15Å; E807-K810 WeakPolarHBondContact OE2-CD 3.42Å; E807-K810 IonicContact OE2-NZ 2.76Å; E807-K810 PolarHBondContact OE2-NZ 2.99Å; E807-Y811 VanDerWaalsContact O-CB 3.28Å; E807-Y811 WeakPolarHBondContact O-CB 3.46Å; E807-Y811 PolarHBondContact O-N 2.73Å
808	E	59.5	Low	56.6	Low	87 Å²	87	100.1 Å²	100.1	41%	0.407	55%	0.553	S	S	.	*	H	α-helix	trans	-59.8	-48.3	168.2	-72.1	170.8	-155.7	0	0	111.4	G804 K810 Y811 V812 Y836	G804-E808 PolarHBondContact O-N 3.15Å; E808-K810 PolarHBondContact O-N 3.33Å; E808-Y811 PolarHBondContact O-N 3.4Å; E808-V812 WeakPolarHBondContact O-CB 3.17Å; E808-V812 VanDerWaalsContact O-CG2 3.31Å; E808-V812 WeakPolarHBondContact O-CG2 3.39Å; E808-V812 PolarHBondContact O-N 3.45Å; E808-Y836 PolarHBondContact OE2-OH 3.26Å
809	M	60.9	Low	58.4	Low	133 Å²	133	99.8 Å²	99.8	66%	0.655	54%	0.537	S	S	*	.	H	α-helix	trans	-62.3	-40	175.8	-82.6	-169.3	167.2	0	0	112.6	T805 V812 L813	T805-M809 WeakPolarHBondContact O-CB 3.3Å; T805-M809 WeakPolarHBondContact O-CG 3.43Å; T805-M809 PolarHBondContact O-N 3.43Å; M809-V812 PolarHBondContact O-N 3.19Å; M809-L813 VanDerWaalsContact O-CB 3.31Å; M809-L813 WeakPolarHBondContact O-CB 3.39Å; M809-L813 VanDerWaalsContact O-CG 3.25Å; M809-L813 WeakPolarHBondContact O-CG 3.45Å; M809-L813 PolarHBondContact O-N 3Å
810	K	63.7	Low	59.9	Low	119 Å²	119	101.6 Å²	101.6	52%	0.517	55%	0.546	S	S	.	.	H	α-helix	trans	-63.2	-41	173.5	-75.3	164.6	177.9	177.2	0	112.2	T806 E807 E808 G814	T806-K810 WeakPolarHBondContact O-CD 3.4Å; T806-K810 VanDerWaalsContact O-CG 3.27Å; T806-K810 WeakPolarHBondContact O-CG 3.36Å; T806-K810 PolarHBondContact O-N 3.03Å; T806-K810 VanDerWaalsContact O-N 3.11Å; E807-K810 PolarHBondContact O-N 3.41Å; E807-K810 IonicContact OE1-NZ 3.23Å; E807-K810 PolarHBondContact OE1-NZ 3.15Å; E807-K810 WeakPolarHBondContact OE2-CD 3.42Å; E807-K810 IonicContact OE2-NZ 2.76Å; E807-K810 PolarHBondContact OE2-NZ 2.99Å; E808-K810 PolarHBondContact O-N 3.33Å; K810-G814 PolarHBondContact O-N 3.29Å
811	Y	66.1	Low	61.7	Low	161 Å²	161	94.6 Å²	94.6	63%	0.631	52%	0.519	S	S	*	.	H	α-helix	trans	-65.2	-44.1	177	179.7	-103.2	0	0	0	111.5	E807 E808 G814 Q815	E807-Y811 VanDerWaalsContact O-CB 3.28Å; E807-Y811 WeakPolarHBondContact O-CB 3.46Å; E807-Y811 PolarHBondContact O-N 2.73Å; E808-Y811 PolarHBondContact O-N 3.4Å; Y811-G814 PolarHBondContact O-N 2.81Å; Y811-Q815 VanDerWaalsContact CE1-NE2 3.35Å; Y811-Q815 VanDerWaalsContact CZ-NE2 3.28Å; Y811-Q815 PolarHBondContact O-N 2.89Å; Y811-Q815 PolarHBondContact OH-NE2 3.04Å; Y811-Q815 VanDerWaalsContact OH-NE2 3.1Å
812	V	65.9	Low	63	Low	32 Å²	32	91.7 Å²	91.7	19%	0.194	51%	0.512	C	S	.	.	H	α-helix	trans	-61.3	-49.9	174.7	163	0	0	0	0	111.8	E808 M809 G814 Q815 L816 L832	E808-V812 WeakPolarHBondContact O-CB 3.17Å; E808-V812 VanDerWaalsContact O-CG2 3.31Å; E808-V812 WeakPolarHBondContact O-CG2 3.39Å; E808-V812 PolarHBondContact O-N 3.45Å; M809-V812 PolarHBondContact O-N 3.19Å; V812-G814 VanDerWaalsContact C-N 3.32Å; V812-G814 PolarHBondContact O-N 3.35Å; V812-Q815 PolarHBondContact O-N 3.46Å; V812-L816 HydrophobicContact CG1-CD1 4.36Å; V812-L816 WeakPolarHBondContact O-CG 3.35Å; V812-L816 PolarHBondContact O-N 3.14Å; V812-L816 VanDerWaalsContact O-N 3.09Å; V812-L832 HydrophobicContact CG1-CD1 3.61Å; V812-L832 HydrophobicContact CG1-CD2 4.21Å; V812-L832 HydrophobicContact CG1-CG 4.49Å; V812-L832 HydrophobicContact CG2-CD2 3.7Å
813	L	65.2	Low	64.1	Low	106 Å²	106	95.1 Å²	95.1	56%	0.555	52%	0.523	S	S	*	.	H	α-helix	trans	-62.8	-39.6	176	-72.6	166.9	0	0	0	111.3	M809 Q815 L816 V817	M809-L813 VanDerWaalsContact O-CB 3.31Å; M809-L813 WeakPolarHBondContact O-CB 3.39Å; M809-L813 VanDerWaalsContact O-CG 3.25Å; M809-L813 WeakPolarHBondContact O-CG 3.45Å; M809-L813 PolarHBondContact O-N 3Å; L813-Q815 PolarHBondContact O-N 3.23Å; L813-L816 PolarHBondContact O-N 3.15Å; L813-V817 WeakPolarHBondContact O-CB 3.21Å; L813-V817 VanDerWaalsContact O-CG2 3.28Å; L813-V817 WeakPolarHBondContact O-CG2 3.4Å; L813-V817 PolarHBondContact O-N 2.95Å
814	G	68.9	Low	65.5	Low	46 Å²	46	88 Å²	88	47%	0.474	50%	0.499	S	S	.	.	H	α-helix	trans	-60.8	-40.2	174.8	0	0	0	0	0	113.1	K810 Y811 V812 G818	K810-G814 PolarHBondContact O-N 3.29Å; Y811-G814 PolarHBondContact O-N 2.81Å; V812-G814 VanDerWaalsContact C-N 3.32Å; V812-G814 PolarHBondContact O-N 3.35Å; G814-G818 PolarHBondContact O-N 3.26Å
815	Q	66.1	Low	66.9	Low	105 Å²	105	89.6 Å²	89.6	49%	0.491	50%	0.497	S	S	.	.	H	α-helix	trans	-65.1	-40.5	172.5	-72.1	-154.5	15.2	0	0	112.2	Y811 V812 L813 G818 L819	Y811-Q815 VanDerWaalsContact CE1-NE2 3.35Å; Y811-Q815 VanDerWaalsContact CZ-NE2 3.28Å; Y811-Q815 PolarHBondContact O-N 2.89Å; Y811-Q815 PolarHBondContact OH-NE2 3.04Å; Y811-Q815 VanDerWaalsContact OH-NE2 3.1Å; V812-Q815 PolarHBondContact O-N 3.46Å; L813-Q815 PolarHBondContact O-N 3.23Å; Q815-G818 PolarHBondContact O-N 3.4Å; Q815-L819 WeakPolarHBondContact O-CG 3.27Å
816	L	68.4	Low	67.5	Low	39 Å²	39	92.2 Å²	92.2	20%	0.204	51%	0.508	C	S	.	.	H	α-helix	trans	-69	-37.8	178.8	-66.7	172.1	0	0	0	112.7	V812 L813 G818 L819 I825 A828 L832	V812-L816 HydrophobicContact CG1-CD1 4.36Å; V812-L816 WeakPolarHBondContact O-CG 3.35Å; V812-L816 PolarHBondContact O-N 3.14Å; V812-L816 VanDerWaalsContact O-N 3.09Å; L813-L816 PolarHBondContact O-N 3.15Å; L816-G818 PolarHBondContact O-N 3.18Å; L816-L819 HydrophobicContact CD2-CD1 4.38Å; L816-L819 PolarHBondContact O-N 2.81Å; L816-L819 VanDerWaalsContact O-N 3.16Å; L816-I825 HydrophobicContact CD2-CG2 4.38Å; L816-A828 HydrophobicContact CD2-CB 3.67Å; L816-L832 HydrophobicContact CD1-CD1 4.45Å; L816-L832 HydrophobicContact CD2-CD1 4.5Å
817	V	69.9	Low	68.1	Low	123 Å²	123	96 Å²	96	75%	0.745	52%	0.517	S	S	*	.	H	α-helix	trans	-64	-25	176.8	167.3	0	0	0	0	112.4	L813 L819	L813-V817 WeakPolarHBondContact O-CB 3.21Å; L813-V817 VanDerWaalsContact O-CG2 3.28Å; L813-V817 WeakPolarHBondContact O-CG2 3.4Å; L813-V817 PolarHBondContact O-N 2.95Å; V817-L819 VanDerWaalsContact C-N 3.3Å; V817-L819 PolarHBondContact O-N 3.42Å
818	G	63.2	Low	68.8	Low	59 Å²	59	92 Å²	92	61%	0.608	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-2.2	174.7	0	0	0	0	0	115.8	G814 Q815 L816	G814-G818 PolarHBondContact O-N 3.26Å; Q815-G818 PolarHBondContact O-N 3.4Å; L816-G818 PolarHBondContact O-N 3.18Å
819	L	76	Confident	69.3	Low	54 Å²	54	89.8 Å²	89.8	28%	0.283	50%	0.5	S	S	.	.			trans	-105.9	94.5	-170.1	-63.3	175.7	0	0	0	113	Q815 L816 V817 S821 I825 A828	Q815-L819 WeakPolarHBondContact O-CG 3.27Å; L816-L819 HydrophobicContact CD2-CD1 4.38Å; L816-L819 PolarHBondContact O-N 2.81Å; L816-L819 VanDerWaalsContact O-N 3.16Å; V817-L819 VanDerWaalsContact C-N 3.3Å; V817-L819 PolarHBondContact O-N 3.42Å; L819-S821 PolarHBondContact O-N 3.03Å; L819-I825 HydrophobicContact CB-CG1 3.77Å; L819-I825 WeakPolarHBondContact O-CD1 3.31Å; L819-I825 WeakPolarHBondContact O-CG1 3.48Å; L819-A828 HydrophobicContact CD1-CB 3.79Å
820	N	66.6	Low	69.8	Low	169 Å²	169	89.5 Å²	89.5	90%	0.904	50%	0.495	S	S	*	.			trans	-72.1	25.2	178.7	-63.8	-16.4	0	0	0	115.2
821	S	77.1	Confident	70	Confident	44 Å²	44	87.6 Å²	87.6	31%	0.308	49%	0.494	S	S	.	.	S	Bend	trans	-143.1	124.6	-177.7	173.5	0	0	0	0	111.5	L819 N823 S824 I825	L819-S821 PolarHBondContact O-N 3.03Å; S821-N823 VanDerWaalsContact C-N 3.25Å; S821-N823 PolarHBondContact O-N 3.04Å; S821-S824 WeakPolarHBondContact O-CB 3.13Å; S821-S824 PolarHBondContact O-N 2.8Å; S821-I825 WeakPolarHBondContact O-CG1 3.29Å; S821-I825 PolarHBondContact O-N 2.93Å
822	P	72.5	Confident	70.1	Confident	102 Å²	102	82.2 Å²	82.2	66%	0.662	48%	0.476	S	S	*	.	H	α-helix	trans	-55.3	-37.6	179.3	-27.7	35.4	0	0	0	113.8	S824 I825 L826	P822-S824 VanDerWaalsContact C-N 3.34Å; P822-I825 PolarHBondContact O-N 3.06Å; P822-L826 VanDerWaalsContact O-CB 3.28Å; P822-L826 WeakPolarHBondContact O-CB 3.43Å; P822-L826 PolarHBondContact O-N 2.84Å
823	N	69	Low	70	Confident	126 Å²	126	88.7 Å²	88.7	67%	0.674	50%	0.498	S	S	*	.	H	α-helix	trans	-70	-31.9	178.5	-70.5	-21.4	0	0	0	112.3	S821 K827	S821-N823 VanDerWaalsContact C-N 3.25Å; S821-N823 PolarHBondContact O-N 3.04Å; N823-K827 VanDerWaalsContact O-CB 3.29Å; N823-K827 WeakPolarHBondContact O-CB 3.34Å; N823-K827 PolarHBondContact O-N 3.18Å
824	S	74.4	Confident	70.1	Confident	52 Å²	52	88.4 Å²	88.4	36%	0.364	49%	0.494	S	S	.	.	H	α-helix	trans	-72.1	-44.4	174.1	-58.8	0	0	0	0	111.3	S821 P822 K827 A828	S821-S824 WeakPolarHBondContact O-CB 3.13Å; S821-S824 PolarHBondContact O-N 2.8Å; P822-S824 VanDerWaalsContact C-N 3.34Å; S824-K827 PolarHBondContact O-N 3.46Å; S824-A828 WeakPolarHBondContact O-CB 3.36Å; S824-A828 PolarHBondContact O-N 3.3Å
825	I	77.6	Confident	69.6	Low	72 Å²	72	93.3 Å²	93.3	37%	0.369	50%	0.504	S	S	.	.	H	α-helix	trans	-57.3	-51.3	174.1	-64.3	167.4	0	0	0	109.9	L816 L819 S821 P822 K827 A828 A829	L816-I825 HydrophobicContact CD2-CG2 4.38Å; L819-I825 HydrophobicContact CB-CG1 3.77Å; L819-I825 WeakPolarHBondContact O-CD1 3.31Å; L819-I825 WeakPolarHBondContact O-CG1 3.48Å; S821-I825 WeakPolarHBondContact O-CG1 3.29Å; S821-I825 PolarHBondContact O-N 2.93Å; P822-I825 PolarHBondContact O-N 3.06Å; I825-K827 VanDerWaalsContact C-N 3.34Å; I825-K827 PolarHBondContact O-N 2.83Å; I825-A828 PolarHBondContact O-N 2.91Å; I825-A829 VanDerWaalsContact O-CB 3.28Å; I825-A829 WeakPolarHBondContact O-CB 3.26Å; I825-A829 PolarHBondContact O-N 2.67Å
826	L	70.4	Confident	69	Low	120 Å²	120	95.4 Å²	95.4	63%	0.628	51%	0.509	S	S	*	.	H	α-helix	trans	-61.4	-41	-179.1	-177.9	62.4	0	0	0	112.2	P822 K830	P822-L826 VanDerWaalsContact O-CB 3.28Å; P822-L826 WeakPolarHBondContact O-CB 3.43Å; P822-L826 PolarHBondContact O-N 2.84Å; L826-K830 VanDerWaalsContact O-CB 3.31Å; L826-K830 WeakPolarHBondContact O-CB 3.47Å; L826-K830 PolarHBondContact O-N 2.95Å
827	K	71	Confident	68.1	Low	156 Å²	156	96.7 Å²	96.7	68%	0.678	52%	0.521	S	S	*	.	H	α-helix	trans	-66.1	-46.2	177	-172.5	175.2	-178.6	179.7	0	111.8	N823 S824 I825 K830 T831	N823-K827 VanDerWaalsContact O-CB 3.29Å; N823-K827 WeakPolarHBondContact O-CB 3.34Å; N823-K827 PolarHBondContact O-N 3.18Å; S824-K827 PolarHBondContact O-N 3.46Å; I825-K827 VanDerWaalsContact C-N 3.34Å; I825-K827 PolarHBondContact O-N 2.83Å; K827-K830 PolarHBondContact O-N 3.31Å; K827-T831 PolarHBondContact O-N 3.1Å; K827-T831 PolarHBondContact O-OG1 3.26Å
828	A	71.6	Confident	66.9	Low	27 Å²	27	93.3 Å²	93.3	22%	0.223	51%	0.511	C	S	.	.	H	α-helix	trans	-61.9	-48.9	177.3	0	0	0	0	0	111.4	L816 L819 S824 I825 K830 T831 L832	L816-A828 HydrophobicContact CD2-CB 3.67Å; L819-A828 HydrophobicContact CD1-CB 3.79Å; S824-A828 WeakPolarHBondContact O-CB 3.36Å; S824-A828 PolarHBondContact O-N 3.3Å; I825-A828 PolarHBondContact O-N 2.91Å; A828-K830 VanDerWaalsContact C-N 3.28Å; A828-K830 PolarHBondContact O-N 3.47Å; A828-T831 PolarHBondContact O-N 3.48Å; A828-L832 WeakPolarHBondContact O-CB 3.36Å; A828-L832 WeakPolarHBondContact O-CD1 3.38Å; A828-L832 VanDerWaalsContact O-CG 3.26Å; A828-L832 WeakPolarHBondContact O-CG 3.42Å; A828-L832 PolarHBondContact O-N 3.11Å
829	A	71.6	Confident	66	Low	41 Å²	41	94.7 Å²	94.7	34%	0.339	53%	0.525	S	S	.	.	H	α-helix	trans	-58.4	-38.1	176.4	0	0	0	0	0	112.5	I825 Y833	I825-A829 VanDerWaalsContact O-CB 3.28Å; I825-A829 WeakPolarHBondContact O-CB 3.26Å; I825-A829 PolarHBondContact O-N 2.67Å; A829-Y833 WeakPolarHBondContact O-CB 3.22Å; A829-Y833 PolarHBondContact O-N 3.32Å
830	K	69.4	Low	64.1	Low	127 Å²	127	99.8 Å²	99.8	55%	0.552	55%	0.547	S	S	*	.	H	α-helix	trans	-68.8	-45	176.9	-167.6	179.2	-176.6	-162.3	0	112.6	L826 K827 A828 L832 Y833 E834	L826-K830 VanDerWaalsContact O-CB 3.31Å; L826-K830 WeakPolarHBondContact O-CB 3.47Å; L826-K830 PolarHBondContact O-N 2.95Å; K827-K830 PolarHBondContact O-N 3.31Å; A828-K830 VanDerWaalsContact C-N 3.28Å; A828-K830 PolarHBondContact O-N 3.47Å; K830-L832 VanDerWaalsContact C-N 3.29Å; K830-L832 PolarHBondContact O-N 3.15Å; K830-Y833 WeakPolarHBondContact O-CB 3.27Å; K830-Y833 PolarHBondContact O-N 3.31Å; K830-E834 WeakPolarHBondContact CE-OE1 3.37Å; K830-E834 IonicContact NZ-OE1 2.79Å; K830-E834 WeakPolarHBondContact O-CG 3.45Å; K830-E834 PolarHBondContact O-N 3.16Å
831	T	68.9	Low	62.7	Low	79 Å²	79	97.5 Å²	97.5	49%	0.485	54%	0.544	S	S	.	.	H	α-helix	trans	-63.2	-36.4	175.7	-61.4	0	0	0	0	112	K827 A828 E834 H835	K827-T831 PolarHBondContact O-N 3.1Å; K827-T831 PolarHBondContact O-OG1 3.26Å; A828-T831 PolarHBondContact O-N 3.48Å; T831-E834 PolarHBondContact O-N 3.25Å; T831-H835 WeakPolarHBondContact O-CB 3.42Å; T831-H835 PolarHBondContact O-N 3.28Å
832	L	67.5	Low	60.7	Low	48 Å²	48	103.1 Å²	103.1	25%	0.251	57%	0.565	S	S	.	*	H	α-helix	trans	-65.4	-44	172.9	-71.6	161.8	0	0	0	112.2	V812 L816 A828 K830 E834 H835 Y836	V812-L832 HydrophobicContact CG1-CD1 3.61Å; V812-L832 HydrophobicContact CG1-CD2 4.21Å; V812-L832 HydrophobicContact CG1-CG 4.49Å; V812-L832 HydrophobicContact CG2-CD2 3.7Å; L816-L832 HydrophobicContact CD1-CD1 4.45Å; L816-L832 HydrophobicContact CD2-CD1 4.5Å; A828-L832 WeakPolarHBondContact O-CB 3.36Å; A828-L832 WeakPolarHBondContact O-CD1 3.38Å; A828-L832 VanDerWaalsContact O-CG 3.26Å; A828-L832 WeakPolarHBondContact O-CG 3.42Å; A828-L832 PolarHBondContact O-N 3.11Å; K830-L832 VanDerWaalsContact C-N 3.29Å; K830-L832 PolarHBondContact O-N 3.15Å; L832-E834 PolarHBondContact O-N 3.01Å; L832-H835 PolarHBondContact O-N 3.25Å; L832-Y836 WeakPolarHBondContact O-CD2 3.44Å; L832-Y836 PolarHBondContact O-N 3.44Å; L832-Y836 VanDerWaalsContact O-N 3.09Å
833	Y	65.4	Low	58.6	Low	167 Å²	167	105.8 Å²	105.8	66%	0.655	57%	0.574	S	S	*	*	H	α-helix	trans	-59.5	-45.4	174.9	178.2	-88.5	0	0	0	111.6	A829 K830 H835 Y836 S837	A829-Y833 WeakPolarHBondContact O-CB 3.22Å; A829-Y833 PolarHBondContact O-N 3.32Å; K830-Y833 WeakPolarHBondContact O-CB 3.27Å; K830-Y833 PolarHBondContact O-N 3.31Å; Y833-H835 PolarHBondContact O-N 3.22Å; Y833-Y836 PolarHBondContact O-N 3.41Å; Y833-S837 WeakPolarHBondContact CE1-OG 3.32Å; Y833-S837 VanDerWaalsContact O-CB 3.25Å; Y833-S837 WeakPolarHBondContact O-CB 3.41Å; Y833-S837 PolarHBondContact O-N 3.18Å; Y833-S837 PolarHBondContact O-OG 3.3Å
834	E	65.7	Low	56.9	Low	101 Å²	101	106 Å²	106	47%	0.472	59%	0.585	S	S	.	*	H	α-helix	trans	-60.7	-43.4	176.2	-71.7	162.2	175.5	0	0	111.1	K830 T831 L832 Y836 S837 G838	K830-E834 WeakPolarHBondContact CE-OE1 3.37Å; K830-E834 IonicContact NZ-OE1 2.79Å; K830-E834 WeakPolarHBondContact O-CG 3.45Å; K830-E834 PolarHBondContact O-N 3.16Å; T831-E834 PolarHBondContact O-N 3.25Å; L832-E834 PolarHBondContact O-N 3.01Å; E834-Y836 PolarHBondContact O-N 3.16Å; E834-S837 PolarHBondContact O-N 3.18Å; E834-G838 PolarHBondContact O-N 3.26Å; E834-G838 VanDerWaalsContact O-N 3.15Å
835	H	59.3	Low	55	Low	149 Å²	149	108.2 Å²	108.2	69%	0.69	60%	0.601	S	S	*	*	H	α-helix	trans	-68.3	-26.7	-179.7	-163.2	-52.6	0	0	0	114.5	T831 L832 Y833	T831-H835 WeakPolarHBondContact O-CB 3.42Å; T831-H835 PolarHBondContact O-N 3.28Å; L832-H835 PolarHBondContact O-N 3.25Å; Y833-H835 PolarHBondContact O-N 3.22Å
836	Y	54.2	Low	52.7	Low	149 Å²	149	110.6 Å²	110.6	58%	0.584	62%	0.624	S	S	*	*	H	α-helix	trans	-97.8	-7.4	172.9	-77	-83.8	0	0	0	113.6	E808 L832 Y833 E834	E808-Y836 PolarHBondContact OE2-OH 3.26Å; L832-Y836 WeakPolarHBondContact O-CD2 3.44Å; L832-Y836 PolarHBondContact O-N 3.44Å; L832-Y836 VanDerWaalsContact O-N 3.09Å; Y833-Y836 PolarHBondContact O-N 3.41Å; E834-Y836 PolarHBondContact O-N 3.16Å
837	S	48.8	Very low	50.8	Low	66 Å²	66	109.4 Å²	109.4	46%	0.462	63%	0.626	S	S	.	*	H	α-helix	trans	-88.7	-24.5	173	-60.6	0	0	0	0	113.1	Y833 E834 G839	Y833-S837 WeakPolarHBondContact CE1-OG 3.32Å; Y833-S837 VanDerWaalsContact O-CB 3.25Å; Y833-S837 WeakPolarHBondContact O-CB 3.41Å; Y833-S837 PolarHBondContact O-N 3.18Å; Y833-S837 PolarHBondContact O-OG 3.3Å; E834-S837 PolarHBondContact O-N 3.18Å; S837-G839 PolarHBondContact O-N 3.42Å
838	G	45.3	Very low	49.3	Very low	52 Å²	52	112.3 Å²	112.3	54%	0.536	64%	0.639	S	S	.	*	S	Bend	trans	-75.7	101.9	174.2	0	0	0	0	0	111.9	E834 E840	E834-G838 PolarHBondContact O-N 3.26Å; E834-G838 VanDerWaalsContact O-N 3.15Å; G838-E840 PolarHBondContact O-N 2.88Å
839	G	44.1	Very low	47.7	Very low	87 Å²	87	116.2 Å²	116.2	90%	0.897	66%	0.66	S	S	*	*			trans	-75.4	48.7	-176.5	0	0	0	0	0	116	S837	S837-G839 PolarHBondContact O-N 3.42Å
840	E	34.8	Very low	45.7	Very low	161 Å²	161	123.7 Å²	123.7	75%	0.752	69%	0.685	S	S	*	*			trans	-106.2	110.6	175.7	-69.8	-167.6	137	0	0	112	G838 H842	G838-E840 PolarHBondContact O-N 2.88Å; E840-H842 PolarHBondContact O-N 3.05Å
841	S	38.9	Very low	44	Very low	122 Å²	122	121.3 Å²	121.3	85%	0.853	70%	0.697	S	S	*	*			trans	-83.4	88.8	179.7	57	0	0	0	0	111.9
842	H	33.8	Very low	42.6	Very low	161 Å²	161	126.4 Å²	126.4	75%	0.745	71%	0.712	S	S	*	*			trans	-91.5	127.5	174.9	-86.1	-70	0	0	0	113.4	E840	E840-H842 PolarHBondContact O-N 3.05Å
843	N	29.7	Very low	40.9	Very low	158 Å²	158	133.9 Å²	133.9	85%	0.845	74%	0.743	S	S	*	*			trans	-65.1	133.1	179.4	-73.3	-46.8	0	0	0	112.4	S845	N843-S845 PolarHBondContact O-N 3.39Å
844	S	32.9	Very low	39.2	Very low	130 Å²	130	137 Å²	137	91%	0.909	75%	0.753	S	S	*	*			trans	-79.2	84.1	-177.1	44.6	0	0	0	0	113.2
845	S	33.1	Very low	37.8	Very low	99 Å²	99	140.9 Å²	140.9	69%	0.692	77%	0.772	S	S	*	*			trans	-140.8	138.6	161.1	79	0	0	0	0	111.8	N843	N843-S845 PolarHBondContact O-N 3.39Å
846	S	30	Very low	36.7	Very low	122 Å²	122	143 Å²	143	85%	0.853	78%	0.778	S	S	*	*			trans	64.1	149.9	-161	88.4	0	0	0	0	113.6
847	S	29.8	Very low	35.9	Very low	96 Å²	96	149.1 Å²	149.1	67%	0.671	81%	0.808	S	S	*	*			cis	-141.1	136.2	-0.6	49	0	0	0	0	111.8	T849	S847-T849 PolarHBondContact O-N 3.33Å
848	K	40.7	Very low	35.3	Very low	217 Å²	217	153.3 Å²	153.3	94%	0.943	83%	0.826	S	S	*	*			trans	-85.2	74.1	175.3	-76.5	-175.3	176.2	177.4	0	111.7
849	T	38.8	Very low	34.7	Very low	109 Å²	109	158.6 Å²	158.6	67%	0.669	84%	0.841	S	S	*	*			trans	-160.7	115.5	169	30.6	0	0	0	0	111.7	S847	S847-T849 PolarHBondContact O-N 3.33Å
850	F	29.7	Very low	34.2	Very low	197 Å²	197	162.6 Å²	162.6	86%	0.864	84%	0.838	S	S	*	*			trans	-176.7	37.9	130.3	-107.7	-67.5	0	0	0	115.1	K852	F850-K852 PolarHBondContact O-N 3.3Å; F850-K852 VanDerWaalsContact O-N 3.07Å
851	G	33.5	Very low	34.2	Very low	78 Å²	78	162.7 Å²	162.7	80%	0.804	84%	0.843	S	S	*	*			trans	-81.3	74.2	174.3	0	0	0	0	0	114.2
852	K	37.8	Very low	33.9	Very low	185 Å²	185	165.3 Å²	165.3	80%	0.804	84%	0.842	S	S	*	*			trans	179	146.7	157.8	-105.3	156.4	-174.4	176.2	0	113.8	F850	F850-K852 PolarHBondContact O-N 3.3Å; F850-K852 VanDerWaalsContact O-N 3.07Å
853	K	33.5	Very low	33.9	Very low	206 Å²	206	165.5 Å²	165.5	90%	0.896	85%	0.849	S	S	*	*			trans	69.2	130.6	-179.4	-52.5	173.7	-179.3	176.3	0	112.6
854	R	28.7	Very low	34.2	Very low	231 Å²	231	166.1 Å²	166.1	87%	0.872	85%	0.849	S	S	*	*			cis	-133.9	133.1	27.7	-74.2	174.6	164.2	144.3	-6	113.7
855	E	36.2	Very low	34.3	Very low	184 Å²	184	168.8 Å²	168.8	86%	0.86	84%	0.844	S	S	*	*			trans	-80.7	163.6	137.8	-63.1	174.4	115.9	0	0	109.1
856	K	36.1	Very low	34.4	Very low	192 Å²	192	174.7 Å²	174.7	84%	0.835	86%	0.857	S	S	*	*			trans	69	133.6	-173.2	-49.2	174.8	-176	179	0	111.5
857	K	37.7	Very low	34.8	Very low	279 Å²	279	179.5 Å²	179.5	100%	1.213	86%	0.857	S	S	*	*			cis	-141	0	24.6	-162.1	-177.9	-175.4	-173.5	0	111.3

Retrieved 857 of 857 residues in 133.6 ms (Link to these results)

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