A0A5K4F2P1_SCHMA Loading...

alanine--tRNA ligase

AlphaFold DB , UniProt , Accession A0A5K4F2P1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,221 aa.

						>A0A5K4F2P1_SCHMA|A0A5K4F2P1
MTSFHFPTSKTSFFLRVRKTRFDQKYPSYVISKGFAIVPSSGQDIHATGRCTLAPDQSVPRHVSLASSIRLRNSSVSELRREFINFFKSHQHSVVAPASVFPKRHEGSYFINAGMNQFKSIFLNQSDSICSEFKQLRRATNSQPCIRIGGRHDDLNDVGYDRHHHTMFEMLGSWSFGDYYKKEACSQVWKFLTEVLNLPTNAIYITYFGGDQKLGLPPDDETRDIWLNLGVMDQKLMPFGIESNFWRANQFSGGGLCGPSTEVHIDFKALCGGDQLDCARCLVNTSSPQVLELWNCVFITHRIIADNDVTEKHLKPDLLQPLTKSFVDTGMGLERLACVMQGLTSNYDSYEMNSLMEFIHSKANSCNRSVPTYQGLFLSNPLQDGEIKTDKDHSEITLSSLWNKISGKSSSSAVCSKSHLALDQSWKNFNMDNDLIDMWHRDTAYRVLVDHSRALAFALSDGLLPGRQGLPLKIRQLIHRAFRASVLTGLDTEITTSGKLKSLLGALVSEVTKRDVLSLKSFFNTMATIRGPSCRKSDALTPEQMESIINEEVTWFAPRLFHMEKSFNRCLEECTDRRQLSAEQVTKLMNGDYGHHVSWDMICAQSCWAGLLPPLPIETNSPSDKNKPLLFRSQKLNSNVISRQLHNLCVPFTDDSFKYNCYRKSEPDLNATRQYDFPDCETKLLGLLAIGNKHTDYTLITKQSSSNSDVTSVIQNLCDASNNETANNSLGFIFEKTNFFTSRGGQDADTGFIHYPSKILQFQVIETTFVPDPTSNSSTNGWIIHWCHKPDNLFLSLNNLNFDQSFVLRIDKERRFNLMCSHTGQHLFTSALESLVLSRASNSSAFQHIGGTSHPNYFTLKAAIIGSASELMQEDLGDFTRQLEQKCQKLINENGFISIWNTELAHAIKVKQIRYFPWEEYSAKVRTVCITKEKHPFNDHELADFNSVISAELCGGTHLFELSDLLDIAIVAVKGRQKTIKEFTCIFGHLAKSAHQCADELIQEGRSREKLAIHNPKKAAIHIDWYESVLNDPHYTGFLPLYARLALETNLYHINHKTDIIDNDQVQLYIDKIKIMVENNNCETSQAVISKLDFHRLNELILAFIQLNMTQPFVVYNINLAICYFPKSHSNQTALNLAHMIAKLLSTELGKMHLTAKGRPLRSNHLNNDDRYKYAFLQLSPTADTFTTMTKMQQSLNWNDYHTLLEKCVNSILLSPVYGKT
					

Structure Viewer

Loading PAE data...

(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	29.8	Very low	27.7	Very low	234 Å²	234	148.3 Å²	148.3	100%	1.153	79%	0.789	S	S	*	*				0	134.3	0	-81.7	178.5	166	0	0	108.7
2	T	30.7	Very low	27.4	Very low	129 Å²	129	143.5 Å²	143.5	79%	0.791	78%	0.777	S	S	*	*			trans	64.1	98.3	151.1	52.8	0	0	0	0	121.9
3	S	26.8	Very low	27.2	Very low	87 Å²	87	149.1 Å²	149.1	61%	0.608	79%	0.79	S	S	*	*				31	129.1	117.1	62.2	0	0	0	0	122.5
4	F	26.1	Very low	26.8	Very low	169 Å²	169	152.2 Å²	152.2	74%	0.741	79%	0.794	S	S	*	*				161.5	139.8	100.2	-99.3	-73	0	0	0	115.5
5	H	25.3	Very low	26.8	Very low	155 Å²	155	153.7 Å²	153.7	72%	0.718	80%	0.802	S	S	*	*			trans	56.4	137	144.1	-76.8	-22.2	0	0	0	126.5
6	F	25.2	Very low	26.5	Very low	207 Å²	207	158.9 Å²	158.9	91%	0.908	81%	0.807	S	S	*	*			trans	-159	164.6	147.8	-97.7	-66.6	0	0	0	110.8
7	P	34.1	Very low	26.6	Very low	105 Å²	105	158.2 Å²	158.2	68%	0.682	81%	0.812	S	S	*	*				-134.1	-173.1	-126.9	32.1	-5.6	0	0	0	116.6
8	T	27.1	Very low	26.5	Very low	131 Å²	131	162.2 Å²	162.2	80%	0.804	82%	0.815	S	S	*	*			trans	-49.5	161.4	169	50.8	0	0	0	0	117
9	S	26.8	Very low	26.4	Very low	94 Å²	94	164.7 Å²	164.7	66%	0.657	82%	0.821	S	S	*	*			cis	-178.4	164.5	-6.5	61.1	0	0	0	0	110.6
10	K	25.5	Very low	26.4	Very low	192 Å²	192	162.4 Å²	162.4	84%	0.835	82%	0.816	S	S	*	*			trans	81.8	136.7	163.5	-58.8	-179.7	-178.9	179.2	0	117.6
11	T	27.2	Very low	26.3	Very low	128 Å²	128	166.4 Å²	166.4	79%	0.785	82%	0.821	S	S	*	*			cis	-164	142.6	41.2	-31.2	0	0	0	0	113.9
12	S	23.7	Very low	26	Very low	91 Å²	91	164.4 Å²	164.4	64%	0.636	81%	0.806	S	S	*	*			trans	18.7	130.2	155.5	68.5	0	0	0	0	124.8
13	F	24.8	Very low	25.7	Very low	216 Å²	216	165.4 Å²	165.4	95%	0.947	81%	0.807	S	S	*	*			trans	-134	129.7	134.6	-115.4	-91.2	0	0	0	109.9
14	F	22.4	Very low	25.6	Very low	193 Å²	193	170.4 Å²	170.4	85%	0.846	82%	0.821	S	S	*	*			trans	-82.1	130.8	178.6	-101.6	-98.4	0	0	0	110.7
15	L	26.5	Very low	25.5	Very low	175 Å²	175	169.9 Å²	169.9	92%	0.916	82%	0.818	S	S	*	*			trans	-140.5	135.7	152	-107.4	162	0	0	0	110
16	R	21.9	Very low	25.5	Very low	236 Å²	236	168.7 Å²	168.7	89%	0.891	81%	0.809	S	S	*	*			trans	-99.3	109.4	-159.1	-156	-174.9	-163.5	176.1	2.6	108.1
17	V	27.7	Very low	25.5	Very low	147 Å²	147	163.4 Å²	163.4	89%	0.891	80%	0.795	S	S	*	*			trans	-138.2	136.6	162.4	-176.2	0	0	0	0	110.4
18	R	26	Very low	25	Very low	230 Å²	230	163.2 Å²	163.2	87%	0.868	80%	0.796	S	S	*	*			trans	-62	144.5	-164.8	-74.3	167.1	164.1	162.8	-5.9	114.3	T20	R18-T20 PolarHBondContact O-N 3.41Å
19	K	23.7	Very low	24.9	Very low	211 Å²	211	166.5 Å²	166.5	92%	0.917	80%	0.795	S	S	*	*			trans	-57.1	120.6	157.2	-78.7	175.5	171.8	176.2	0	110.1
20	T	27.3	Very low	24.8	Very low	118 Å²	118	167.7 Å²	167.7	72%	0.724	80%	0.798	S	S	*	*			trans	-131.6	118.9	151.7	32.4	0	0	0	0	108.1	R18 F22	R18-T20 PolarHBondContact O-N 3.41Å; T20-F22 PolarHBondContact O-N 3.39Å
21	R	23.1	Very low	24.9	Very low	247 Å²	247	165.5 Å²	165.5	93%	0.932	79%	0.794	S	S	*	*			trans	-59	119.8	170.4	-72.4	173.7	170.5	174.3	-4.8	108.5
22	F	24.9	Very low	24.8	Very low	191 Å²	191	163.8 Å²	163.8	84%	0.838	79%	0.787	S	S	*	*			trans	-124.5	113.3	155.8	-97	-83.8	0	0	0	107	T20 Q24	T20-F22 PolarHBondContact O-N 3.39Å; F22-Q24 PolarHBondContact O-N 2.72Å
23	D	23.4	Very low	25	Very low	151 Å²	151	169.2 Å²	169.2	81%	0.807	80%	0.799	S	S	*	*			trans	-58.6	112.3	171.3	-74.4	-45	0	0	0	109.2	K25	D23-K25 VanDerWaalsContact C-N 3.28Å; D23-K25 PolarHBondContact O-N 2.62Å
24	Q	25.2	Very low	25.1	Very low	192 Å²	192	161.7 Å²	161.7	90%	0.897	78%	0.783	S	S	*	*			trans	-70.1	87.6	165	-81	-179.7	-27	0	0	108.8	F22	F22-Q24 PolarHBondContact O-N 2.72Å
25	K	24.5	Very low	25.5	Very low	158 Å²	158	159 Å²	159	69%	0.687	77%	0.771	S	S	*	*			trans	-73.8	146.9	147.9	-78.7	176.8	173.7	178.5	0	107.5	D23	D23-K25 VanDerWaalsContact C-N 3.28Å; D23-K25 PolarHBondContact O-N 2.62Å
26	Y	24.3	Very low	25.8	Very low	130 Å²	130	153.6 Å²	153.6	51%	0.51	75%	0.752	S	S	.	*			trans	85.5	96.9	-169.9	-53.7	-74.4	0	0	0	115.1	S28 Q579	Y26-S28 VanDerWaalsContact C-N 3.34Å; Y26-S28 PolarHBondContact O-N 3.25Å; Y26-Q579 PolarHBondContact OH-NE2 2.91Å; Y26-Q579 PolarHBondContact OH-OE1 2.94Å
27	P	25.6	Very low	26.3	Very low	95 Å²	95	148.9 Å²	148.9	62%	0.617	74%	0.743	S	S	*	*			trans	-71.6	100	156.3	30.4	-24.9	0	0	0	106.7	Y29	P27-Y29 HydrophobicContact CB-CD2 4.12Å; P27-Y29 HydrophobicContact CB-CE2 4.21Å; P27-Y29 HydrophobicContact CG-CD2 4.45Å; P27-Y29 HydrophobicContact CG-CE2 4.47Å; P27-Y29 PolarHBondContact O-N 3.2Å
28	S	22.8	Very low	26.5	Very low	102 Å²	102	145.2 Å²	145.2	71%	0.713	72%	0.72	S	S	*	*			trans	-60.3	93.6	153.9	51.5	0	0	0	0	106.9	Y26 V30	Y26-S28 VanDerWaalsContact C-N 3.34Å; Y26-S28 PolarHBondContact O-N 3.25Å; S28-V30 PolarHBondContact O-N 3.17Å
29	Y	25.8	Very low	26.9	Very low	200 Å²	200	139.6 Å²	139.6	78%	0.784	71%	0.714	S	S	*	*			trans	-67.1	87.8	161.4	-92.4	-91	0	0	0	106.6	P27 I31	P27-Y29 HydrophobicContact CB-CD2 4.12Å; P27-Y29 HydrophobicContact CB-CE2 4.21Å; P27-Y29 HydrophobicContact CG-CD2 4.45Å; P27-Y29 HydrophobicContact CG-CE2 4.47Å; P27-Y29 PolarHBondContact O-N 3.2Å; Y29-I31 VanDerWaalsContact C-N 3.31Å; Y29-I31 PolarHBondContact O-N 3.14Å
30	V	24.5	Very low	27.5	Very low	118 Å²	118	131.5 Å²	131.5	72%	0.715	68%	0.684	S	S	*	*			trans	-54.8	109.2	149.6	174.7	0	0	0	0	104.3	S28 S32	S28-V30 PolarHBondContact O-N 3.17Å; V30-S32 PolarHBondContact O-N 2.87Å
31	I	27.9	Very low	28.2	Very low	146 Å²	146	131.3 Å²	131.3	75%	0.749	69%	0.687	S	S	*	*			trans	-62.1	83.1	164.7	-60.1	173.1	0	0	0	105	Y29 K33	Y29-I31 VanDerWaalsContact C-N 3.31Å; Y29-I31 PolarHBondContact O-N 3.14Å; I31-K33 PolarHBondContact O-N 3.16Å
32	S	25.2	Very low	28.8	Very low	92 Å²	92	121.2 Å²	121.2	64%	0.643	66%	0.66	S	S	*	*			trans	-56.9	126.7	157.4	61.6	0	0	0	0	104.7	V30 G34	V30-S32 PolarHBondContact O-N 2.87Å; S32-G34 PolarHBondContact O-N 3.41Å
33	K	28.2	Very low	29.1	Very low	206 Å²	206	121.2 Å²	121.2	90%	0.896	66%	0.663	S	S	*	*			trans	-55.5	65.2	169.2	-70.6	176.8	171.3	177.9	0	111.1	I31	I31-K33 PolarHBondContact O-N 3.16Å
34	G	26.4	Very low	29.6	Very low	58 Å²	58	121 Å²	121	60%	0.598	66%	0.661	S	S	*	*			trans	-97.7	109.1	172.3	0	0	0	0	0	105.9	S32 A36	S32-G34 PolarHBondContact O-N 3.41Å; G34-A36 PolarHBondContact O-N 3.26Å
35	F	31.7	Very low	30.3	Very low	136 Å²	136	117 Å²	117	60%	0.596	65%	0.645	S	S	*	*			trans	-44.1	137.6	163.6	-70.1	-94.4	0	0	0	108.9	I37	F35-I37 HydrophobicContact CB-CD1 4.07Å; F35-I37 HydrophobicContact CB-CG1 3.78Å; F35-I37 PolarHBondContact O-N 3.38Å
36	A	32.3	Very low	30.7	Very low	62 Å²	62	117.3 Å²	117.3	51%	0.512	65%	0.649	S	S	.	*			trans	-61.7	84.1	167.5	0	0	0	0	0	108.3	G34	G34-A36 PolarHBondContact O-N 3.26Å
37	I	31.6	Very low	31.3	Very low	137 Å²	137	114.7 Å²	114.7	70%	0.703	65%	0.654	S	S	*	*			trans	-110.4	81.1	169.2	-46.6	174.7	0	0	0	104.6	F35	F35-I37 HydrophobicContact CB-CD1 4.07Å; F35-I37 HydrophobicContact CB-CG1 3.78Å; F35-I37 PolarHBondContact O-N 3.38Å
38	V	33.2	Very low	31.6	Very low	69 Å²	69	116 Å²	116	42%	0.418	66%	0.661	S	S	.	*			trans	-88.3	135	157.2	-169.6	0	0	0	0	105.1	S40 G209	V38-S40 PolarHBondContact O-N 3.44Å; V38-G209 WeakPolarHBondContact CG1-O 3.27Å
39	P	32.9	Very low	32.4	Very low	112 Å²	112	113.7 Å²	113.7	73%	0.727	65%	0.652	S	S	*	*			trans	-69.3	101.6	-171.8	7.3	4.1	0	0	0	108.9
40	S	37.6	Very low	32.9	Very low	42 Å²	42	114.5 Å²	114.5	29%	0.294	65%	0.654	S	S	.	*			trans	-75.1	144.8	162.1	96.4	0	0	0	0	108.1	V38 G42	V38-S40 PolarHBondContact O-N 3.44Å; S40-G42 PolarHBondContact O-N 3.43Å; S40-G42 VanDerWaalsContact O-N 3.14Å; S40-G42 PolarHBondContact OG-N 2.9Å; S40-G42 VanDerWaalsContact OG-N 3.16Å
41	S	40.8	Very low	34.1	Very low	114 Å²	114	111.5 Å²	111.5	80%	0.797	64%	0.638	S	S	*	*	S	Bend	trans	-70	5.8	170.8	27.1	0	0	0	0	114.3	D220	S41-D220 PolarHBondContact OG-OD2 3.2Å
42	G	36.5	Very low	34.7	Very low	35 Å²	35	110.6 Å²	110.6	36%	0.361	64%	0.639	S	S	.	*	S	Bend	trans	-97.6	163	177.1	0	0	0	0	0	113.6	S40 D44	S40-G42 PolarHBondContact O-N 3.43Å; S40-G42 VanDerWaalsContact O-N 3.14Å; S40-G42 PolarHBondContact OG-N 2.9Å; S40-G42 VanDerWaalsContact OG-N 3.16Å; G42-D44 PolarHBondContact O-N 3.42Å
43	Q	30.9	Very low	35.7	Very low	190 Å²	190	109.8 Å²	109.8	89%	0.888	63%	0.627	S	S	*	*			trans	-48.9	133.8	175.4	-84.8	-178.7	-26.3	0	0	111.2	I45	Q43-I45 PolarHBondContact O-N 3.07Å
44	D	33.7	Very low	36.6	Very low	146 Å²	146	103.8 Å²	103.8	78%	0.781	62%	0.616	S	S	*	*			trans	-45.5	109	176.1	-80.3	-44	0	0	0	110.5	G42 H46	G42-D44 PolarHBondContact O-N 3.42Å; D44-H46 PolarHBondContact O-N 3.14Å
45	I	39.1	Very low	37.7	Very low	110 Å²	110	105.5 Å²	105.5	56%	0.564	62%	0.617	S	S	*	*			trans	-68.3	107.4	175.3	-58.6	172.2	0	0	0	105.8	Q43 A47	Q43-I45 PolarHBondContact O-N 3.07Å; I45-A47 PolarHBondContact O-N 2.71Å
46	H	33.8	Very low	38.4	Very low	164 Å²	164	102.8 Å²	102.8	76%	0.759	61%	0.608	S	S	*	*			trans	-55.8	102.3	172.1	-80.5	-74.9	0	0	0	108.6	D44 T48	D44-H46 PolarHBondContact O-N 3.14Å; H46-T48 HydrophobicContact CB-CG2 4.34Å; H46-T48 PolarHBondContact O-N 2.84Å
47	A	37.2	Very low	39.3	Very low	75 Å²	75	103.6 Å²	103.6	62%	0.62	60%	0.601	S	S	*	*			trans	-68.5	75.9	172.3	0	0	0	0	0	109.3	I45 G49	I45-A47 PolarHBondContact O-N 2.71Å; A47-G49 PolarHBondContact O-N 2.95Å; A47-G49 VanDerWaalsContact O-N 3.14Å
48	T	32	Very low	40.7	Very low	123 Å²	123	99.9 Å²	99.9	76%	0.755	59%	0.588	S	S	*	*			trans	-77.8	95.5	171.9	52	0	0	0	0	108.4	H46	H46-T48 HydrophobicContact CB-CG2 4.34Å; H46-T48 PolarHBondContact O-N 2.84Å
49	G	38.6	Very low	42.3	Very low	52 Å²	52	97 Å²	97	54%	0.536	57%	0.57	S	S	.	*			trans	148.9	93.5	173.1	0	0	0	0	0	111.4	A47 C51	A47-G49 PolarHBondContact O-N 2.95Å; A47-G49 VanDerWaalsContact O-N 3.14Å; G49-C51 PolarHBondContact O-N 3.01Å
50	R	36.9	Very low	44.6	Very low	218 Å²	218	94.8 Å²	94.8	82%	0.823	56%	0.556	S	S	*	*			trans	-61.6	119.3	159.8	-80.6	-177.8	177.5	-179.2	-0.1	106.7	T52	R50-T52 VanDerWaalsContact C-N 3.28Å; R50-T52 HydrophobicContact CB-CG2 4.23Å; R50-T52 PolarHBondContact O-N 2.87Å
51	C	48.8	Very low	46.8	Very low	55 Å²	55	97.7 Å²	97.7	37%	0.372	56%	0.56	S	S	.	*			trans	-60.1	96.9	162	162.7	0	0	0	0	106.2	G49 L53 C281	G49-C51 PolarHBondContact O-N 3.01Å; C51-L53 VanDerWaalsContact C-N 3.29Å; C51-C281 HydrophobicContact CB-CB 4.03Å; C51-C281 WeakPolarHBondContact CB-SG 3.42Å; C51-C281 WeakPolarHBondContact SG-CB 3.29Å; C51-C281 CovalentContact SG-SG 2.08Å; C51-C281 PolarHBondContact SG-SG 3.27Å
52	T	41.6	Very low	49.2	Very low	127 Å²	127	97.2 Å²	97.2	78%	0.779	55%	0.545	S	S	*	.			trans	-85.8	-1.9	-178.8	39.3	0	0	0	0	112.8	R50 A54	R50-T52 VanDerWaalsContact C-N 3.28Å; R50-T52 HydrophobicContact CB-CG2 4.23Å; R50-T52 PolarHBondContact O-N 2.87Å; T52-A54 PolarHBondContact O-N 3.02Å
53	L	47	Very low	51.7	Low	75 Å²	75	96.1 Å²	96.1	39%	0.393	53%	0.531	S	S	.	.			trans	-80.9	116.5	-179.9	-73.5	159.1	0	0	0	109.4	C51 D277	C51-L53 VanDerWaalsContact C-N 3.29Å; L53-D277 HydrophobicContact CD1-CB 3.97Å
54	A	45.4	Very low	54.6	Low	79 Å²	79	91.1 Å²	91.1	65%	0.653	52%	0.518	S	S	*	.			trans	-55.3	135.8	148.1	0	0	0	0	0	106.4	T52 D56	T52-A54 PolarHBondContact O-N 3.02Å; A54-D56 PolarHBondContact O-N 3.42Å
55	P	49.1	Very low	57.5	Low	95 Å²	95	85.6 Å²	85.6	62%	0.617	49%	0.488	S	S	*	.			trans	-56.7	104	176.9	22.2	-30.7	0	0	0	108.1	Q57	P55-Q57 PolarHBondContact O-N 2.91Å
56	D	46.8	Very low	60	Low	78 Å²	78	80.8 Å²	80.8	42%	0.417	47%	0.465	S	S	.	.			trans	-70	98	173	176.6	20.4	0	0	0	106.1	A54 S58 K268	A54-D56 PolarHBondContact O-N 3.42Å; D56-S58 PolarHBondContact O-N 2.76Å; D56-S58 PolarHBondContact OD1-OG 3.48Å; D56-K268 IonicContact OD2-NZ 3.13Å; D56-K268 PolarHBondContact OD2-NZ 3.47Å
57	Q	51.2	Low	62.8	Low	79 Å²	79	77.9 Å²	77.9	37%	0.369	46%	0.463	S	S	.	.			trans	-65.6	-21.2	-171.5	-75.8	-176.6	-15.4	0	0	112.2	P55 V59 D384	P55-Q57 PolarHBondContact O-N 2.91Å; Q57-V59 PolarHBondContact O-N 2.08Å; Q57-V59 VanDerWaalsContact O-N 3.15Å; Q57-D384 PolarHBondContact NE2-OD1 2.96Å
58	S	61.3	Low	65.4	Low	60 Å²	60	77.6 Å²	77.6	42%	0.42	46%	0.456	S	S	.	.			trans	-89.4	80.3	-179.8	63.7	0	0	0	0	112.9	D56	D56-S58 PolarHBondContact O-N 2.76Å; D56-S58 PolarHBondContact OD1-OG 3.48Å
59	V	67.2	Low	68.5	Low	7 Å²	7	72 Å²	72	4%	0.042	42%	0.421	C	S	.	.			trans	-76.8	125.3	165.4	-173.4	0	0	0	0	108.6	Q57 P288 Q289 T344	Q57-V59 PolarHBondContact O-N 2.08Å; Q57-V59 VanDerWaalsContact O-N 3.15Å; V59-P288 HydrophobicContact CB-CG 4.27Å; V59-P288 HydrophobicContact CG2-CB 4.43Å; V59-P288 HydrophobicContact CG2-CG 3.86Å; V59-Q289 HydrophobicContact CG2-CB 3.67Å; V59-Q289 HydrophobicContact CG2-CG 4.4Å; V59-T344 HydrophobicContact CG1-CG2 3.74Å
60	P	80.8	Confident	71.3	Confident	67 Å²	67	74.6 Å²	74.6	44%	0.435	42%	0.415	S	S	.	.			trans	-60.9	147.1	-179	26.3	-34.6	0	0	0	110.9	H62 V63 T344	P60-H62 PolarHBondContact O-N 2.96Å; P60-V63 HydrophobicContact CG-CG1 3.95Å; P60-T344 WeakPolarHBondContact O-CG2 3.3Å; P60-T344 PolarHBondContact O-OG1 3.24Å
61	R	84.3	Confident	74	Confident	102 Å²	102	66.4 Å²	66.4	39%	0.385	39%	0.387	S	S	.	.	S	Bend	trans	-57.5	-33.6	178.4	-169.7	177.6	-177.7	-164.8	-4.4	112.4	T344 D348 Q374	R61-T344 WeakPolarHBondContact CA-OG1 3.48Å; R61-T344 PolarHBondContact O-N 3Å; R61-T344 VanDerWaalsContact O-N 3.08Å; R61-T344 PolarHBondContact O-OG1 2.88Å; R61-D348 VanDerWaalsContact CG-OD2 3.25Å; R61-D348 WeakPolarHBondContact CG-OD2 3.22Å; R61-D348 IonicContact CZ-OD1 2.97Å; R61-D348 IonicContact CZ-OD2 3.9Å; R61-D348 IonicContact NE-OD1 2.98Å; R61-D348 PolarHBondContact NE-OD1 2.89Å; R61-D348 IonicContact NE-OD2 3.19Å; R61-D348 PolarHBondContact NE-OD2 2.73Å; R61-D348 VanDerWaalsContact NH2-CG 3.31Å; R61-D348 IonicContact NH2-OD1 3.08Å; R61-D348 PolarHBondContact NH2-OD1 3.3Å; R61-D348 IonicContact NH2-OD2 3.52Å; R61-Q374 PolarHBondContact NH1-O 3.38Å; R61-Q374 VanDerWaalsContact NH1-O 3.1Å
62	H	89.9	Confident	76.2	Confident	104 Å²	104	70.1 Å²	70.1	48%	0.481	39%	0.394	S	S	.	.	B	Isolated β-bridge	trans	-128	133.4	177.3	-179.5	-81.3	0	0	0	110.3	P60 G342	P60-H62 PolarHBondContact O-N 2.96Å; H62-G342 CarbonylContact C-O 3.54Å; H62-G342 VanDerWaalsContact CA-O 3.25Å; H62-G342 WeakPolarHBondContact CA-O 3.37Å
63	V	90.4	Very high	78.7	Confident	12 Å²	12	67.7 Å²	67.7	7%	0.073	38%	0.376	C	S	.	.			trans	-112.2	142.3	173.7	-68.2	0	0	0	0	110	P60 L65 F267 L270 G342 T344	P60-V63 HydrophobicContact CG-CG1 3.95Å; V63-L65 PolarHBondContact O-N 2.95Å; V63-F267 HydrophobicContact CG1-CB 4.21Å; V63-F267 HydrophobicContact CG2-CB 4.14Å; V63-F267 HydrophobicContact CG2-CD1 3.92Å; V63-L270 HydrophobicContact CG2-CD1 4.3Å; V63-G342 WeakPolarHBondContact CG2-O 3.49Å; V63-G342 PolarHBondContact N-O 3.27Å; V63-T344 HydrophobicContact CG1-CG2 4.28Å
64	S	91	Very high	81	Confident	86 Å²	86	64.5 Å²	64.5	60%	0.601	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-66.9	132	175.4	-63	0	0	0	0	110.5	C271	S64-C271 WeakPolarHBondContact O-CA 3.24Å; S64-C271 WeakPolarHBondContact O-CB 3.22Å; S64-C271 PolarHBondContact O-N 2.77Å
65	L	94.1	Very high	83.4	Confident	29 Å²	29	62.3 Å²	62.3	15%	0.152	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-91.2	140.1	174.8	-64.1	-179.5	0	0	0	111.2	V63 I69 R72 L270 M340	V63-L65 PolarHBondContact O-N 2.95Å; L65-I69 HydrophobicContact CB-CD1 4.13Å; L65-I69 HydrophobicContact CD2-CD1 4.12Å; L65-R72 HydrophobicContact CD1-CB 4.02Å; L65-L270 HydrophobicContact CD2-CB 3.94Å; L65-L270 HydrophobicContact CD2-CD1 3.95Å; L65-L270 HydrophobicContact CD2-CG 4.48Å; L65-M340 WeakPolarHBondContact CD1-O 3.36Å
66	A	93.1	Very high	85.5	Confident	9 Å²	9	58.8 Å²	58.8	7%	0.074	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-56.9	139.9	171.8	0	0	0	0	0	110.7	S68 I69 P199 L270	A66-S68 PolarHBondContact O-N 3.01Å; A66-S68 VanDerWaalsContact O-N 3.16Å; A66-I69 HydrophobicContact CB-CD1 4.13Å; A66-I69 HydrophobicContact CB-CG1 4.15Å; A66-I69 PolarHBondContact O-N 2.95Å; A66-I69 VanDerWaalsContact O-N 3.16Å; A66-P199 HydrophobicContact CB-CG 4.02Å; A66-L270 WeakPolarHBondContact CB-O 3.26Å; A66-L270 PolarHBondContact N-O 3.38Å
67	S	92.8	Very high	87.8	Confident	104 Å²	104	56.9 Å²	56.9	73%	0.727	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-19	178.7	55.9	0	0	0	0	113.5	I69	S67-I69 VanDerWaalsContact C-N 3.35Å
68	S	92.1	Very high	89.9	Confident	68 Å²	68	57.7 Å²	57.7	48%	0.476	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-21.3	176.7	56.2	0	0	0	0	114.1	A66 R70 N197	A66-S68 PolarHBondContact O-N 3.01Å; A66-S68 VanDerWaalsContact O-N 3.16Å; S68-R70 PolarHBondContact O-N 3.29Å; S68-N197 WeakPolarHBondContact O-CB 3.25Å; S68-N197 PolarHBondContact O-ND2 3.31Å
69	I	96.4	Very high	91.7	Very high	5 Å²	5	54.9 Å²	54.9	3%	0.026	29%	0.293	C	S	.	.			trans	-64.4	117.4	-177.1	-67.2	171.2	0	0	0	109.3	L65 A66 S67 R72 L198 P199 M340	L65-I69 HydrophobicContact CB-CD1 4.13Å; L65-I69 HydrophobicContact CD2-CD1 4.12Å; A66-I69 HydrophobicContact CB-CD1 4.13Å; A66-I69 HydrophobicContact CB-CG1 4.15Å; A66-I69 PolarHBondContact O-N 2.95Å; A66-I69 VanDerWaalsContact O-N 3.16Å; S67-I69 VanDerWaalsContact C-N 3.35Å; I69-R72 HydrophobicContact CB-CB 4.45Å; I69-R72 HydrophobicContact CG2-CB 4.16Å; I69-L198 HydrophobicContact CD1-CD2 4.12Å; I69-L198 HydrophobicContact CG1-CD2 4.3Å; I69-L198 HydrophobicContact CG2-CD2 4.29Å; I69-P199 HydrophobicContact CD1-CG 4.37Å; I69-M340 HydrophobicContact CG2-CE 3.37Å; I69-M340 HydrophobicContact CG2-SD 4.31Å
70	R	96.2	Very high	93.1	Very high	108 Å²	108	55.2 Å²	55.2	41%	0.408	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	141.4	174.9	179.2	166.7	170.9	-102.8	-3.7	107.9	S68 R72 E82 V195 L196 N197 M340	S68-R70 PolarHBondContact O-N 3.29Å; R70-R72 VanDerWaalsContact C-N 3.27Å; R70-R72 PolarHBondContact O-N 2.79Å; R70-E82 IonicContact CZ-OE1 3.64Å; R70-E82 VanDerWaalsContact CZ-OE1 3.25Å; R70-E82 IonicContact NH1-OE1 3.66Å; R70-E82 PolarHBondContact NH1-OE1 2.86Å; R70-E82 IonicContact NH2-OE1 3.38Å; R70-E82 PolarHBondContact NH2-OE1 2.83Å; R70-E82 IonicContact NH2-OE2 3.41Å; R70-V195 VanDerWaalsContact CD-O 3.3Å; R70-V195 WeakPolarHBondContact CD-O 3.19Å; R70-V195 PolarHBondContact NH1-O 3.05Å; R70-L196 PolarHBondContact N-O 3.43Å; R70-N197 HydrophobicContact CB-CB 4.42Å; R70-M340 WeakPolarHBondContact O-CE 3.29Å
71	L	95.2	Very high	93.9	Very high	45 Å²	45	57.4 Å²	57.4	24%	0.236	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.3	28.1	-173.8	-56	179.5	0	0	0	114.3	S74 L79 E82 L196 M340	L71-S74 WeakPolarHBondContact CA-OG 3.44Å; L71-S74 WeakPolarHBondContact CB-OG 3.3Å; L71-S74 WeakPolarHBondContact O-CB 3.38Å; L71-S74 PolarHBondContact O-N 2.85Å; L71-S74 PolarHBondContact O-OG 3.04Å; L71-S74 VanDerWaalsContact O-OG 3.11Å; L71-L79 HydrophobicContact CB-CD2 4.34Å; L71-L79 HydrophobicContact CD1-CD2 4.37Å; L71-E82 HydrophobicContact CD1-CB 3.83Å; L71-E82 HydrophobicContact CD1-CG 3.71Å; L71-L196 HydrophobicContact CB-CD2 4.48Å; L71-L196 HydrophobicContact CD1-CD2 3.99Å; L71-M340 HydrophobicContact CB-CE 4.24Å
72	R	93.6	Very high	94.6	Very high	133 Å²	133	54.6 Å²	54.6	50%	0.502	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	139.5	167.8	72.5	-176.7	-175.5	-179.9	-0.9	110.1	L65 I69 R70 S74 M340	L65-R72 HydrophobicContact CD1-CB 4.02Å; I69-R72 HydrophobicContact CB-CB 4.45Å; I69-R72 HydrophobicContact CG2-CB 4.16Å; R70-R72 VanDerWaalsContact C-N 3.27Å; R70-R72 PolarHBondContact O-N 2.79Å; R72-S74 PolarHBondContact O-N 3.12Å; R72-M340 CarbonylContact C-O 3.49Å; R72-M340 WeakPolarHBondContact CA-O 3.32Å
73	N	94.8	Very high	95	Very high	76 Å²	76	49.6 Å²	49.6	41%	0.406	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	25.4	-176.8	-54	-30	0	0	0	113.7	M340 Y350	N73-M340 PolarHBondContact N-O 2.78Å; N73-Y350 HydrophobicContact CB-CE2 4Å; N73-Y350 WeakPolarHBondContact CB-OH 3.23Å; N73-Y350 WeakPolarHBondContact O-CE2 3.3Å; N73-Y350 PolarHBondContact OD1-OH 2.85Å
74	S	95.7	Very high	95.3	Very high	8 Å²	8	49 Å²	49	6%	0.056	26%	0.258	C	S	.	.			trans	-76.8	152.7	175.9	-77.2	0	0	0	0	112.7	L71 R72 E78 Q341	L71-S74 WeakPolarHBondContact CA-OG 3.44Å; L71-S74 WeakPolarHBondContact CB-OG 3.3Å; L71-S74 WeakPolarHBondContact O-CB 3.38Å; L71-S74 PolarHBondContact O-N 2.85Å; L71-S74 PolarHBondContact O-OG 3.04Å; L71-S74 VanDerWaalsContact O-OG 3.11Å; R72-S74 PolarHBondContact O-N 3.12Å; S74-E78 WeakPolarHBondContact CA-OE2 3.46Å; S74-Q341 PolarHBondContact O-NE2 2.9Å
75	S	94.8	Very high	95.7	Very high	33 Å²	33	48 Å²	48	23%	0.231	25%	0.245	C	C	.	.			trans	-76.1	160.4	173.1	64	0	0	0	0	112.3	S77 E78 L79 E351	S75-S77 PolarHBondContact O-N 3.28Å; S75-S77 VanDerWaalsContact O-N 3.14Å; S75-E78 PolarHBondContact N-OE2 3.14Å; S75-E78 PolarHBondContact O-N 3.43Å; S75-E78 VanDerWaalsContact O-N 3.15Å; S75-E78 WeakPolarHBondContact OG-CG 3.48Å; S75-E78 PolarHBondContact OG-N 3.07Å; S75-E78 PolarHBondContact OG-OE2 2.8Å; S75-L79 WeakPolarHBondContact O-CG 3.26Å; S75-L79 PolarHBondContact O-N 3.33Å; S75-E351 WeakPolarHBondContact CA-OE1 3.3Å; S75-E351 WeakPolarHBondContact CB-OE1 3.45Å
76	V	94.7	Very high	95.9	Very high	21 Å²	21	47.4 Å²	47.4	13%	0.127	24%	0.242	C	C	.	.	H	α-helix	trans	-55.8	-30.1	171.4	-64.1	0	0	0	0	112.2	R80 L333 A337 E351	V76-R80 WeakPolarHBondContact O-CB 3.47Å; V76-R80 PolarHBondContact O-N 3.46Å; V76-L333 HydrophobicContact CB-CD1 4.27Å; V76-L333 HydrophobicContact CB-CD2 3.99Å; V76-L333 HydrophobicContact CB-CG 4Å; V76-L333 HydrophobicContact CG1-CG 4.16Å; V76-A337 HydrophobicContact CG1-CB 3.7Å; V76-E351 HydrophobicContact CB-CG 4.29Å; V76-E351 HydrophobicContact CG1-CG 3.88Å; V76-E351 HydrophobicContact CG2-CG 3.55Å; V76-E351 PolarHBondContact N-OE1 3.4Å
77	S	93.7	Very high	96.1	Very high	38 Å²	38	47 Å²	47	27%	0.266	24%	0.239	S	C	.	.	H	α-helix	trans	-69.3	-42.2	179.2	-168.8	0	0	0	0	112.5	S75 R81	S75-S77 PolarHBondContact O-N 3.28Å; S75-S77 VanDerWaalsContact O-N 3.14Å; S77-R81 WeakPolarHBondContact O-CB 3.03Å; S77-R81 PolarHBondContact O-N 3.25Å; S77-R81 VanDerWaalsContact O-N 3.17Å
78	E	96.2	Very high	96.4	Very high	97 Å²	97	46.6 Å²	46.6	45%	0.453	22%	0.224	S	C	.	.	H	α-helix	trans	-69.4	-45.4	176.7	-68.5	163.3	133.2	0	0	110.6	S74 S75 R81 E82	S74-E78 WeakPolarHBondContact CA-OE2 3.46Å; S75-E78 PolarHBondContact N-OE2 3.14Å; S75-E78 PolarHBondContact O-N 3.43Å; S75-E78 VanDerWaalsContact O-N 3.15Å; S75-E78 WeakPolarHBondContact OG-CG 3.48Å; S75-E78 PolarHBondContact OG-N 3.07Å; S75-E78 PolarHBondContact OG-OE2 2.8Å; E78-R81 WeakPolarHBondContact O-CB 3.38Å; E78-R81 PolarHBondContact O-N 2.81Å; E78-E82 PolarHBondContact O-N 3Å
79	L	97.8	Very high	96.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63	-44.7	179.4	-65.9	170	0	0	0	112.1	L71 S75 R81 E82 F83 L333 L336 A337 M340	L71-L79 HydrophobicContact CB-CD2 4.34Å; L71-L79 HydrophobicContact CD1-CD2 4.37Å; S75-L79 WeakPolarHBondContact O-CG 3.26Å; S75-L79 PolarHBondContact O-N 3.33Å; L79-R81 VanDerWaalsContact C-N 3.31Å; L79-R81 PolarHBondContact O-N 2.83Å; L79-E82 PolarHBondContact O-N 3.37Å; L79-F83 WeakPolarHBondContact O-CB 3.3Å; L79-F83 PolarHBondContact O-N 3.45Å; L79-L333 HydrophobicContact CB-CD1 4.09Å; L79-L336 HydrophobicContact CB-CD2 4.12Å; L79-L336 HydrophobicContact CD1-CG 4.23Å; L79-L336 HydrophobicContact CD2-CD2 4.33Å; L79-L336 HydrophobicContact CD2-CG 4.47Å; L79-A337 HydrophobicContact CD1-CB 3.96Å; L79-M340 HydrophobicContact CD1-CB 4.2Å; L79-M340 HydrophobicContact CD1-CG 4.21Å; L79-M340 HydrophobicContact CD2-CB 4.31Å; L79-M340 HydrophobicContact CD2-CG 3.83Å
80	R	97.7	Very high	96.7	Very high	14 Å²	14	49.8 Å²	49.8	5%	0.053	24%	0.241	C	C	.	.	H	α-helix	trans	-57	-45.7	173.4	-174	-171.9	-56.3	99	-2.5	111.1	V76 F83 I84 S142 E169 L171 L333 F522	V76-R80 WeakPolarHBondContact O-CB 3.47Å; V76-R80 PolarHBondContact O-N 3.46Å; R80-F83 PolarHBondContact O-N 3.08Å; R80-I84 VanDerWaalsContact O-CG1 3.22Å; R80-I84 WeakPolarHBondContact O-CG1 3.46Å; R80-I84 PolarHBondContact O-N 3.18Å; R80-S142 PolarHBondContact NE-OG 2.6Å; R80-E169 IonicContact CZ-OE1 3.04Å; R80-E169 IonicContact CZ-OE2 3.15Å; R80-E169 IonicContact NE-OE1 2.99Å; R80-E169 IonicContact NE-OE2 2.91Å; R80-E169 PolarHBondContact NE-OE2 3.32Å; R80-E169 VanDerWaalsContact NH2-CD 3.26Å; R80-E169 IonicContact NH2-OE1 3.46Å; R80-E169 PolarHBondContact NH2-OE1 2.97Å; R80-E169 IonicContact NH2-OE2 2.59Å; R80-E169 PolarHBondContact NH2-OE2 2.64Å; R80-E169 VanDerWaalsContact NH2-OE2 3.17Å; R80-L171 HydrophobicContact CB-CD2 4.44Å; R80-L171 HydrophobicContact CG-CD2 4.06Å; R80-L333 HydrophobicContact CB-CD1 4.27Å; R80-L333 HydrophobicContact CB-CD2 4.23Å; R80-L333 VanDerWaalsContact NH2-CD2 3.33Å; R80-F522 HydrophobicContact CG-CE1 4.48Å
81	R	97.5	Very high	96.7	Very high	114 Å²	114	52.1 Å²	52.1	43%	0.43	26%	0.256	S	S	.	.	H	α-helix	trans	-64.4	-43.9	-179.1	-174.2	-179.4	-49.1	-119.7	-3.2	111.9	S77 E78 L79 I84 N85 F522	S77-R81 WeakPolarHBondContact O-CB 3.03Å; S77-R81 PolarHBondContact O-N 3.25Å; S77-R81 VanDerWaalsContact O-N 3.17Å; E78-R81 WeakPolarHBondContact O-CB 3.38Å; E78-R81 PolarHBondContact O-N 2.81Å; L79-R81 VanDerWaalsContact C-N 3.31Å; L79-R81 PolarHBondContact O-N 2.83Å; R81-I84 PolarHBondContact O-N 3.29Å; R81-N85 WeakPolarHBondContact O-CB 3.39Å; R81-N85 VanDerWaalsContact O-CG 3.23Å; R81-N85 PolarHBondContact O-N 3.16Å; R81-N85 PolarHBondContact O-ND2 2.96Å; R81-F522 HydrophobicContact CB-CE2 4.24Å; R81-F522 HydrophobicContact CG-CE2 4.16Å
82	E	98.1	Very high	96.8	Very high	42 Å²	42	50.2 Å²	50.2	20%	0.196	25%	0.246	C	C	.	.	H	α-helix	trans	-63.3	-44.7	179.1	-165.9	71.1	179.1	0	0	111.2	R70 L71 E78 L79 I84 N85 F86 F191 V195	R70-E82 IonicContact CZ-OE1 3.64Å; R70-E82 VanDerWaalsContact CZ-OE1 3.25Å; R70-E82 IonicContact NH1-OE1 3.66Å; R70-E82 PolarHBondContact NH1-OE1 2.86Å; R70-E82 IonicContact NH2-OE1 3.38Å; R70-E82 PolarHBondContact NH2-OE1 2.83Å; R70-E82 IonicContact NH2-OE2 3.41Å; L71-E82 HydrophobicContact CD1-CB 3.83Å; L71-E82 HydrophobicContact CD1-CG 3.71Å; E78-E82 PolarHBondContact O-N 3Å; L79-E82 PolarHBondContact O-N 3.37Å; E82-I84 PolarHBondContact O-N 2.87Å; E82-N85 PolarHBondContact O-N 3.18Å; E82-F86 WeakPolarHBondContact O-CB 3.47Å; E82-F86 PolarHBondContact O-N 2.82Å; E82-F191 HydrophobicContact CG-CE2 4.47Å; E82-V195 HydrophobicContact CG-CG1 3.85Å
83	F	98.5	Very high	96.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-57.5	-51.5	175.7	-179.2	-88.1	0	0	0	112	L79 R80 N85 F86 F87 T140 L171 F191 W294 M331	L79-F83 WeakPolarHBondContact O-CB 3.3Å; L79-F83 PolarHBondContact O-N 3.45Å; R80-F83 PolarHBondContact O-N 3.08Å; F83-N85 VanDerWaalsContact C-N 3.34Å; F83-N85 PolarHBondContact O-N 3.12Å; F83-F86 PolarHBondContact O-N 3.1Å; F83-F87 HydrophobicContact CD1-CD2 4.04Å; F83-F87 HydrophobicContact CD1-CE2 4.48Å; F83-F87 HydrophobicContact CD2-CD2 4.12Å; F83-F87 AromaticContact CD2-CE2 3.84Å; F83-F87 HydrophobicContact CD2-CE2 3.84Å; F83-F87 AromaticContact CE1-CD2 3.69Å; F83-F87 HydrophobicContact CE1-CD2 3.69Å; F83-F87 AromaticContact CE1-CE2 3.98Å; F83-F87 HydrophobicContact CE1-CE2 3.98Å; F83-F87 AromaticContact CE2-CD2 3.82Å; F83-F87 HydrophobicContact CE2-CD2 3.82Å; F83-F87 AromaticContact CE2-CE2 3.29Å; F83-F87 HydrophobicContact CE2-CE2 3.29Å; F83-F87 HydrophobicContact CE2-CZ 4.29Å; F83-F87 HydrophobicContact CG-CD2 4.24Å; F83-F87 HydrophobicContact CG-CE2 4.42Å; F83-F87 AromaticContact CZ-CD2 3.57Å; F83-F87 HydrophobicContact CZ-CD2 3.57Å; F83-F87 AromaticContact CZ-CE2 3.35Å; F83-F87 HydrophobicContact CZ-CE2 3.35Å; F83-F87 HydrophobicContact CZ-CZ 4.28Å; F83-F87 WeakPolarHBondContact O-CD2 3.42Å; F83-F87 PolarHBondContact O-N 3.22Å; F83-F87 VanDerWaalsContact O-N 3.07Å; F83-T140 WeakPolarHBondContact CE1-OG1 3.1Å; F83-L171 HydrophobicContact CB-CD1 4.04Å; F83-L171 HydrophobicContact CB-CD2 4.35Å; F83-L171 HydrophobicContact CD1-CB 3.92Å; F83-L171 HydrophobicContact CD1-CD1 4.4Å; F83-L171 HydrophobicContact CD1-CD2 3.89Å; F83-L171 HydrophobicContact CD1-CG 4.29Å; F83-L171 HydrophobicContact CD2-CB 4.13Å; F83-L171 HydrophobicContact CD2-CD1 4Å; F83-L171 HydrophobicContact CE1-CB 3.75Å; F83-L171 HydrophobicContact CE1-CD2 4.43Å; F83-L171 HydrophobicContact CE2-CB 3.92Å; F83-L171 HydrophobicContact CG-CB 4.12Å; F83-L171 HydrophobicContact CG-CD1 3.9Å; F83-L171 HydrophobicContact CG-CD2 4.15Å; F83-L171 HydrophobicContact CG-CG 4.29Å; F83-L171 HydrophobicContact CZ-CB 3.75Å; F83-F191 HydrophobicContact CB-CE2 4.28Å; F83-F191 HydrophobicContact CB-CZ 4Å; F83-F191 HydrophobicContact CD2-CE1 4.18Å; F83-F191 HydrophobicContact CD2-CE2 4.4Å; F83-F191 HydrophobicContact CD2-CZ 4.03Å; F83-W294 HydrophobicContact CD2-CH2 4.4Å; F83-W294 AromaticContact CE2-CH2 3.68Å; F83-W294 HydrophobicContact CE2-CH2 3.68Å; F83-W294 AromaticContact CE2-CZ2 3.61Å; F83-W294 HydrophobicContact CE2-CZ2 3.61Å; F83-W294 HydrophobicContact CZ-CZ2 4.18Å; F83-M331 HydrophobicContact CD2-CE 3.43Å; F83-M331 VanDerWaalsContact CD2-CE 3.43Å; F83-M331 HydrophobicContact CE2-CE 3.57Å
84	I	98.3	Very high	97	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63.4	-41.1	-178.9	-64.3	-66.2	0	0	0	111.2	R80 R81 E82 F87 K88 V94 T140 F522 F523	R80-I84 VanDerWaalsContact O-CG1 3.22Å; R80-I84 WeakPolarHBondContact O-CG1 3.46Å; R80-I84 PolarHBondContact O-N 3.18Å; R81-I84 PolarHBondContact O-N 3.29Å; E82-I84 PolarHBondContact O-N 2.87Å; I84-F87 PolarHBondContact O-N 3.01Å; I84-K88 WeakPolarHBondContact O-CB 3.35Å; I84-K88 PolarHBondContact O-N 3.43Å; I84-V94 HydrophobicContact CG2-CG1 3.95Å; I84-V94 HydrophobicContact CG2-CG2 3.93Å; I84-T140 HydrophobicContact CD1-CG2 4.29Å; I84-F522 HydrophobicContact CB-CZ 4.34Å; I84-F522 HydrophobicContact CG1-CE1 4.21Å; I84-F522 HydrophobicContact CG1-CZ 4.35Å; I84-F522 HydrophobicContact CG2-CZ 4.4Å; I84-F523 HydrophobicContact CD1-CZ 4.38Å
85	N	98.1	Very high	97	Very high	63 Å²	63	41.9 Å²	41.9	34%	0.337	21%	0.214	S	C	.	.	H	α-helix	trans	-64	-40.7	177	-76.6	-20.2	0	0	0	112.2	R81 E82 F83 K88 S89	R81-N85 WeakPolarHBondContact O-CB 3.39Å; R81-N85 VanDerWaalsContact O-CG 3.23Å; R81-N85 PolarHBondContact O-N 3.16Å; R81-N85 PolarHBondContact O-ND2 2.96Å; E82-N85 PolarHBondContact O-N 3.18Å; F83-N85 VanDerWaalsContact C-N 3.34Å; F83-N85 PolarHBondContact O-N 3.12Å; N85-K88 PolarHBondContact O-N 3.04Å; N85-S89 PolarHBondContact O-N 3.49Å
86	F	98.5	Very high	96.9	Very high	18 Å²	18	40.4 Å²	40.4	8%	0.079	20%	0.204	C	C	.	.	H	α-helix	trans	-61	-50.8	176.5	174.5	-98.5	0	0	0	111.5	E82 F83 K88 S89 H90 Q187 K190 F191 V195	E82-F86 WeakPolarHBondContact O-CB 3.47Å; E82-F86 PolarHBondContact O-N 2.82Å; F83-F86 PolarHBondContact O-N 3.1Å; F86-K88 VanDerWaalsContact C-N 3.33Å; F86-K88 PolarHBondContact O-N 3.22Å; F86-S89 PolarHBondContact O-N 3.28Å; F86-S89 PolarHBondContact O-OG 3.16Å; F86-H90 AromaticContact CD2-CE1 3.69Å; F86-H90 AromaticContact CD2-ND1 3.99Å; F86-H90 AromaticContact CE2-CE1 3.24Å; F86-H90 WeakPolarHBondContact CE2-CE1 3.36Å; F86-H90 AromaticContact CE2-ND1 3.88Å; F86-H90 AromaticContact CZ-CE1 3.48Å; F86-H90 VanDerWaalsContact CZ-CE1 3.48Å; F86-H90 WeakPolarHBondContact CZ-CE1 3.31Å; F86-H90 AromaticContact CZ-ND1 3.94Å; F86-H90 AromaticContact CZ-NE2 3.98Å; F86-H90 PolarHBondContact O-N 2.99Å; F86-H90 PolarHBondContact O-ND1 3.11Å; F86-Q187 HydrophobicContact CE1-CB 4.21Å; F86-Q187 HydrophobicContact CZ-CB 4.41Å; F86-Q187 WeakPolarHBondContact CZ-O 3.15Å; F86-K190 HydrophobicContact CE2-CB 4.45Å; F86-K190 HydrophobicContact CZ-CB 4.2Å; F86-F191 HydrophobicContact CB-CD2 3.92Å; F86-F191 HydrophobicContact CB-CE2 4.11Å; F86-F191 HydrophobicContact CD1-CB 4.24Å; F86-F191 AromaticContact CD1-CD2 3.74Å; F86-F191 HydrophobicContact CD1-CD2 3.74Å; F86-F191 HydrophobicContact CD1-CG 4.36Å; F86-F191 HydrophobicContact CD2-CD2 4.19Å; F86-F191 HydrophobicContact CE1-CB 3.92Å; F86-F191 HydrophobicContact CE1-CD2 4.28Å; F86-F191 AromaticContact CG-CD2 3.68Å; F86-F191 HydrophobicContact CG-CD2 3.68Å; F86-F191 HydrophobicContact CG-CE2 4.38Å; F86-F191 HydrophobicContact CZ-CB 4.08Å; F86-V195 HydrophobicContact CD2-CG2 3.62Å; F86-V195 HydrophobicContact CE2-CG2 3.73Å
87	F	98.3	Very high	96.9	Very high	1 Å²	1	39.8 Å²	39.8	0%	0.004	20%	0.2	C	C	.	.	H	α-helix	trans	-70.1	-31.7	180	-80	-77.3	0	0	0	112.7	F83 I84 H90 Q91 H92 T140 S173 Q187 W294	F83-F87 HydrophobicContact CD1-CD2 4.04Å; F83-F87 HydrophobicContact CD1-CE2 4.48Å; F83-F87 HydrophobicContact CD2-CD2 4.12Å; F83-F87 AromaticContact CD2-CE2 3.84Å; F83-F87 HydrophobicContact CD2-CE2 3.84Å; F83-F87 AromaticContact CE1-CD2 3.69Å; F83-F87 HydrophobicContact CE1-CD2 3.69Å; F83-F87 AromaticContact CE1-CE2 3.98Å; F83-F87 HydrophobicContact CE1-CE2 3.98Å; F83-F87 AromaticContact CE2-CD2 3.82Å; F83-F87 HydrophobicContact CE2-CD2 3.82Å; F83-F87 AromaticContact CE2-CE2 3.29Å; F83-F87 HydrophobicContact CE2-CE2 3.29Å; F83-F87 HydrophobicContact CE2-CZ 4.29Å; F83-F87 HydrophobicContact CG-CD2 4.24Å; F83-F87 HydrophobicContact CG-CE2 4.42Å; F83-F87 AromaticContact CZ-CD2 3.57Å; F83-F87 HydrophobicContact CZ-CD2 3.57Å; F83-F87 AromaticContact CZ-CE2 3.35Å; F83-F87 HydrophobicContact CZ-CE2 3.35Å; F83-F87 HydrophobicContact CZ-CZ 4.28Å; F83-F87 WeakPolarHBondContact O-CD2 3.42Å; F83-F87 PolarHBondContact O-N 3.22Å; F83-F87 VanDerWaalsContact O-N 3.07Å; I84-F87 PolarHBondContact O-N 3.01Å; F87-H90 CarbonylContact O-C 3.44Å; F87-H90 VanDerWaalsContact O-C 3.28Å; F87-H90 WeakPolarHBondContact O-CA 3.48Å; F87-H90 PolarHBondContact O-N 2.65Å; F87-H90 VanDerWaalsContact O-N 3.11Å; F87-Q91 PolarHBondContact O-N 3.39Å; F87-H92 HydrophobicContact CB-CB 4.13Å; F87-H92 AromaticContact CD1-CE1 3.62Å; F87-H92 AromaticContact CD1-ND1 3.77Å; F87-H92 AromaticContact CD1-NE2 3.88Å; F87-H92 VanDerWaalsContact O-CB 3.27Å; F87-H92 WeakPolarHBondContact O-CB 3.3Å; F87-H92 PolarHBondContact O-N 3.26Å; F87-H92 PolarHBondContact O-ND1 3.45Å; F87-H92 VanDerWaalsContact O-ND1 3.07Å; F87-T140 HydrophobicContact CB-CG2 3.74Å; F87-S173 VanDerWaalsContact CD1-CB 3.44Å; F87-S173 WeakPolarHBondContact CE1-OG 3.29Å; F87-S173 WeakPolarHBondContact CZ-OG 3.42Å; F87-Q187 HydrophobicContact CE1-CB 4.32Å; F87-Q187 VanDerWaalsContact CE1-OE1 3.23Å; F87-W294 AromaticContact CE2-CH2 3.89Å; F87-W294 HydrophobicContact CE2-CH2 3.89Å; F87-W294 HydrophobicContact CE2-CZ2 4.05Å; F87-W294 AromaticContact CZ-CH2 3.86Å; F87-W294 HydrophobicContact CZ-CH2 3.86Å; F87-W294 AromaticContact CZ-CZ2 3.87Å; F87-W294 HydrophobicContact CZ-CZ2 3.87Å
88	K	97.3	Very high	96.7	Very high	95 Å²	95	38 Å²	38	41%	0.413	19%	0.188	S	C	.	.	H	α-helix	trans	-61.9	-41.4	171.5	-174.4	178.4	-178	176.1	0	112	I84 N85 F86 H90 Q91 V94	I84-K88 WeakPolarHBondContact O-CB 3.35Å; I84-K88 PolarHBondContact O-N 3.43Å; N85-K88 PolarHBondContact O-N 3.04Å; F86-K88 VanDerWaalsContact C-N 3.33Å; F86-K88 PolarHBondContact O-N 3.22Å; K88-H90 PolarHBondContact O-N 3.29Å; K88-Q91 PolarHBondContact O-N 2.88Å; K88-Q91 VanDerWaalsContact O-N 3.09Å; K88-V94 HydrophobicContact CB-CG2 4.21Å; K88-V94 HydrophobicContact CD-CG2 4.06Å; K88-V94 HydrophobicContact CG-CG2 4.24Å
89	S	97.6	Very high	96.4	Very high	89 Å²	89	34.1 Å²	34.1	62%	0.622	17%	0.171	S	C	*	.	H	α-helix	trans	-66.7	-23.1	175	74.6	0	0	0	0	112.5	N85 F86 Q91	N85-S89 PolarHBondContact O-N 3.49Å; F86-S89 PolarHBondContact O-N 3.28Å; F86-S89 PolarHBondContact O-OG 3.16Å; S89-Q91 VanDerWaalsContact C-N 3.27Å; S89-Q91 PolarHBondContact O-N 3.39Å
90	H	97.6	Very high	96.1	Very high	51 Å²	51	34.1 Å²	34.1	24%	0.236	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	28.9	170.9	-65.1	76.6	0	0	0	113.2	F86 F87 K88 H92 R138	F86-H90 AromaticContact CD2-CE1 3.69Å; F86-H90 AromaticContact CD2-ND1 3.99Å; F86-H90 AromaticContact CE2-CE1 3.24Å; F86-H90 WeakPolarHBondContact CE2-CE1 3.36Å; F86-H90 AromaticContact CE2-ND1 3.88Å; F86-H90 AromaticContact CZ-CE1 3.48Å; F86-H90 VanDerWaalsContact CZ-CE1 3.48Å; F86-H90 WeakPolarHBondContact CZ-CE1 3.31Å; F86-H90 AromaticContact CZ-ND1 3.94Å; F86-H90 AromaticContact CZ-NE2 3.98Å; F86-H90 PolarHBondContact O-N 2.99Å; F86-H90 PolarHBondContact O-ND1 3.11Å; F87-H90 CarbonylContact O-C 3.44Å; F87-H90 VanDerWaalsContact O-C 3.28Å; F87-H90 WeakPolarHBondContact O-CA 3.48Å; F87-H90 PolarHBondContact O-N 2.65Å; F87-H90 VanDerWaalsContact O-N 3.11Å; K88-H90 PolarHBondContact O-N 3.29Å; H90-H92 VanDerWaalsContact C-N 3.26Å; H90-H92 PolarHBondContact O-N 2.86Å; H90-H92 PolarHBondContact O-ND1 3.23Å; H90-H92 VanDerWaalsContact O-ND1 3.08Å; H90-R138 PolarHBondContact O-NH1 2.74Å
91	Q	96.6	Very high	95.4	Very high	156 Å²	156	34.1 Å²	34.1	73%	0.729	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.5	20.2	173.1	-53.3	178.6	-5.8	0	0	115.4	F87 K88 S89	F87-Q91 PolarHBondContact O-N 3.39Å; K88-Q91 PolarHBondContact O-N 2.88Å; K88-Q91 VanDerWaalsContact O-N 3.09Å; S89-Q91 VanDerWaalsContact C-N 3.27Å; S89-Q91 PolarHBondContact O-N 3.39Å
92	H	97.6	Very high	94.2	Very high	6 Å²	6	29.4 Å²	29.4	3%	0.028	16%	0.156	C	C	.	.			trans	-77.6	134.8	171	-64.4	66.3	0	0	0	110.4	F87 H90 R138 A139 T140 Y179 Q187	F87-H92 HydrophobicContact CB-CB 4.13Å; F87-H92 AromaticContact CD1-CE1 3.62Å; F87-H92 AromaticContact CD1-ND1 3.77Å; F87-H92 AromaticContact CD1-NE2 3.88Å; F87-H92 VanDerWaalsContact O-CB 3.27Å; F87-H92 WeakPolarHBondContact O-CB 3.3Å; F87-H92 PolarHBondContact O-N 3.26Å; F87-H92 PolarHBondContact O-ND1 3.45Å; F87-H92 VanDerWaalsContact O-ND1 3.07Å; H90-H92 VanDerWaalsContact C-N 3.26Å; H90-H92 PolarHBondContact O-N 2.86Å; H90-H92 PolarHBondContact O-ND1 3.23Å; H90-H92 VanDerWaalsContact O-ND1 3.08Å; H92-R138 HydrophobicContact CB-CB 4.25Å; H92-A139 PolarHBondContact CD2-O 3.23Å; H92-A139 VanDerWaalsContact CD2-O 3.23Å; H92-T140 HydrophobicContact CB-CG2 3.89Å; H92-Y179 AromaticContact CE1-CE1 3.7Å; H92-Y179 AromaticContact CE1-CZ 3.95Å; H92-Y179 AromaticContact NE2-CE1 3.35Å; H92-Y179 WeakPolarHBondContact NE2-CE1 3.23Å; H92-Y179 AromaticContact NE2-CZ 3.49Å; H92-Y179 PolarHBondContact NE2-OH 3.43Å; H92-Q187 PolarHBondContact CE1-OE1 3.42Å
93	S	96.3	Very high	92.6	Very high	41 Å²	41	29.3 Å²	29.3	29%	0.287	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	133.7	168.2	-59.8	0	0	0	0	109.6	V95 R138 A139 T140	S93-V95 PolarHBondContact O-N 3.36Å; S93-R138 PolarHBondContact N-O 2.87Å; S93-R138 VanDerWaalsContact N-O 3.12Å; S93-A139 CarbonylContact O-C 3.52Å; S93-A139 WeakPolarHBondContact O-CA 3.04Å; S93-T140 PolarHBondContact O-N 3.42Å
94	V	97	Very high	90.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	112.7	176	-175.1	0	0	0	0	108	I84 K88 T140 F523 M526 A527 T528 I529	I84-V94 HydrophobicContact CG2-CG1 3.95Å; I84-V94 HydrophobicContact CG2-CG2 3.93Å; K88-V94 HydrophobicContact CB-CG2 4.21Å; K88-V94 HydrophobicContact CD-CG2 4.06Å; K88-V94 HydrophobicContact CG-CG2 4.24Å; V94-T140 WeakPolarHBondContact CA-O 3.43Å; V94-T140 HydrophobicContact CG2-CG2 4.16Å; V94-F523 HydrophobicContact CG1-CD1 4.22Å; V94-F523 HydrophobicContact CG1-CE1 3.89Å; V94-M526 WeakPolarHBondContact CB-O 3.37Å; V94-M526 HydrophobicContact CG1-CB 4.43Å; V94-A527 CarbonylContact O-C 3.57Å; V94-T528 PolarHBondContact N-OG1 3.01Å; V94-T528 PolarHBondContact O-N 3.15Å; V94-T528 PolarHBondContact O-OG1 3.37Å; V94-I529 PolarHBondContact O-N 2.98Å
95	V	94.6	Very high	88	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-98.2	133.8	-178.6	-176.6	0	0	0	0	109	S93 F118 F133 L136 A139 T140 N141	S93-V95 PolarHBondContact O-N 3.36Å; V95-F118 HydrophobicContact CB-CZ 4.21Å; V95-F118 HydrophobicContact CG1-CE1 4.12Å; V95-F118 HydrophobicContact CG1-CZ 4.06Å; V95-F118 HydrophobicContact CG2-CE1 4.23Å; V95-F118 HydrophobicContact CG2-CZ 4.15Å; V95-F133 HydrophobicContact CG1-CE1 4.02Å; V95-F133 HydrophobicContact CG1-CZ 3.8Å; V95-L136 HydrophobicContact CG2-CD2 3.94Å; V95-A139 HydrophobicContact CG2-CB 3.74Å; V95-T140 PolarHBondContact N-O 3.26Å; V95-N141 WeakPolarHBondContact O-CB 3.33Å
96	A	93.1	Very high	86	Confident	3 Å²	3	41 Å²	41	3%	0.025	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-64.2	138.6	172.9	0	0	0	0	0	110.6	Q117 A527 I529 R530 C534	A96-Q117 PolarHBondContact O-OE1 2.97Å; A96-A527 HydrophobicContact CB-CB 3.81Å; A96-I529 PolarHBondContact N-O 3.07Å; A96-R530 HydrophobicContact CB-CG 4.01Å; A96-C534 HydrophobicContact CB-CB 4.32Å
97	P	93.9	Very high	84	Confident	8 Å²	8	42.6 Å²	42.6	5%	0.052	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-62.7	147.8	179.5	25.5	-33.5	0	0	0	111.8	S142 L519 F523 R535	P97-S142 WeakPolarHBondContact CB-O 2.96Å; P97-L519 HydrophobicContact CG-CD2 4.42Å; P97-F523 VanDerWaalsContact CD-CD2 3.47Å; P97-F523 VanDerWaalsContact CD-CG 3.41Å; P97-F523 HydrophobicContact CG-CD2 3.78Å; P97-F523 HydrophobicContact CG-CE2 4.04Å; P97-F523 HydrophobicContact CG-CG 4.22Å; P97-R535 PolarHBondContact O-N 2.84Å
98	A	90.4	Very high	82.6	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.008	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-74.4	161.1	173.4	0	0	0	0	0	111.8	Q117 Q143 S533 R535	A98-Q117 HydrophobicContact CB-CB 4.05Å; A98-Q143 PolarHBondContact O-NE2 3.33Å; A98-S533 CarbonylContact C-O 3.6Å; A98-S533 WeakPolarHBondContact CA-O 3.35Å; A98-R535 WeakPolarHBondContact O-CG 3.45Å
99	S	90	Very high	81.7	Confident	14 Å²	14	43.7 Å²	43.7	10%	0.098	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-57.1	150.4	165.4	52.7	0	0	0	0	111.6	F101 I111 D461 S533	S99-F101 PolarHBondContact O-N 2.92Å; S99-F101 VanDerWaalsContact O-N 3.14Å; S99-F101 PolarHBondContact OG-O 3.35Å; S99-I111 WeakPolarHBondContact O-CG1 3.47Å; S99-D461 WeakPolarHBondContact CA-OD2 3.42Å; S99-S533 PolarHBondContact N-O 2.95Å
100	V	91	Very high	81.2	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-69.5	-8.6	179.1	-61.6	0	0	0	0	113.7	F110 I111 P144 I146 F457 A458 D461 L463	V100-F110 HydrophobicContact CG2-CD1 4.42Å; V100-F110 CarbonylContact O-C 3.47Å; V100-F110 VanDerWaalsContact O-CA 3.23Å; V100-F110 WeakPolarHBondContact O-CA 3.29Å; V100-F110 VanDerWaalsContact O-CB 3.32Å; V100-F110 WeakPolarHBondContact O-CB 3.2Å; V100-F110 WeakPolarHBondContact O-CD1 3.33Å; V100-I111 PolarHBondContact O-N 3.42Å; V100-P144 HydrophobicContact CG1-CB 4Å; V100-I146 HydrophobicContact CB-CD1 3.82Å; V100-I146 HydrophobicContact CB-CG1 4.23Å; V100-I146 HydrophobicContact CG1-CD1 4.13Å; V100-I146 HydrophobicContact CG1-CG1 4.34Å; V100-I146 HydrophobicContact CG2-CD1 3.8Å; V100-F457 HydrophobicContact CG1-CB 3.96Å; V100-A458 HydrophobicContact CG2-CB 4.25Å; V100-D461 HydrophobicContact CG2-CB 4.45Å; V100-D461 PolarHBondContact N-OD2 3.15Å; V100-L463 HydrophobicContact CG2-CD1 4.32Å
101	F	83.3	Confident	80.8	Confident	15 Å²	15	37.5 Å²	37.5	7%	0.066	19%	0.19	C	C	.	.	S	Bend	trans	-108.1	143.2	171.8	62.3	-91.9	0	0	0	112	S99 D461 L463 L470	S99-F101 PolarHBondContact O-N 2.92Å; S99-F101 VanDerWaalsContact O-N 3.14Å; S99-F101 PolarHBondContact OG-O 3.35Å; F101-D461 HydrophobicContact CD1-CB 3.98Å; F101-D461 HydrophobicContact CE1-CB 3.64Å; F101-D461 VanDerWaalsContact CE1-O 3.26Å; F101-D461 WeakPolarHBondContact CE1-O 3.5Å; F101-L463 HydrophobicContact CB-CD1 4.09Å; F101-L463 HydrophobicContact CB-CD2 4.17Å; F101-L463 HydrophobicContact CD1-CD1 3.85Å; F101-L463 HydrophobicContact CD1-CD2 3.56Å; F101-L463 HydrophobicContact CD1-CG 3.58Å; F101-L463 HydrophobicContact CE1-CD2 3.99Å; F101-L463 HydrophobicContact CE1-CG 4.07Å; F101-L463 HydrophobicContact CG-CD1 4.36Å; F101-L463 HydrophobicContact CG-CD2 3.88Å; F101-L463 HydrophobicContact CG-CG 4.29Å; F101-L470 HydrophobicContact CB-CD2 3.43Å; F101-L470 VanDerWaalsContact CB-CD2 3.43Å; F101-L470 HydrophobicContact CG-CD2 4.23Å
102	P	72.7	Confident	80.4	Confident	15 Å²	15	31.2 Å²	31.2	10%	0.097	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-75.7	164.5	174.5	31.6	-32.6	0	0	0	111.5	E106 S108 Y109 I111	P102-E106 HydrophobicContact CB-CB 3.87Å; P102-E106 HydrophobicContact CB-CG 4.31Å; P102-E106 VanDerWaalsContact CB-OE2 3.23Å; P102-E106 WeakPolarHBondContact CB-OE2 3.44Å; P102-E106 HydrophobicContact CG-CB 4.28Å; P102-S108 WeakPolarHBondContact CG-O 3.49Å; P102-Y109 VanDerWaalsContact CD-O 3.27Å; P102-Y109 WeakPolarHBondContact CD-O 3.3Å; P102-I111 HydrophobicContact CB-CD1 3.89Å
103	K	63.5	Low	80	Confident	40 Å²	40	31.4 Å²	31.4	17%	0.174	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-63.8	151.1	167.7	-66.1	176.9	179.1	173	0	109.2	H105 S533	K103-H105 PolarHBondContact O-N 3.2Å; K103-S533 WeakPolarHBondContact CE-OG 3.33Å
104	R	48.6	Very low	79.8	Confident	103 Å²	103	29.5 Å²	29.5	39%	0.389	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	145	-177.3	-89	175.6	179	177.1	10.1	110.9	W918 E919	R104-W918 WeakPolarHBondContact CB-O 3.32Å; R104-W918 VanDerWaalsContact CD-O 3.28Å; R104-W918 WeakPolarHBondContact CD-O 3.25Å; R104-W918 HydrophobicContact CG-CB 4.28Å; R104-W918 WeakPolarHBondContact CG-O 3.34Å; R104-W918 PolarHBondContact N-O 2.98Å; R104-W918 VanDerWaalsContact N-O 3.16Å; R104-W918 VanDerWaalsContact NE-CD1 3.26Å; R104-W918 VanDerWaalsContact NH2-CD1 3.33Å; R104-W918 VanDerWaalsContact NH2-NE1 3.18Å; R104-E919 IonicContact CZ-OE1 3.65Å; R104-E919 IonicContact NH1-OE1 2.95Å; R104-E919 PolarHBondContact NH1-OE1 3.34Å; R104-E919 IonicContact NH1-OE2 3.49Å; R104-E919 IonicContact NH2-OE1 3.44Å
105	H	53	Low	79.6	Confident	161 Å²	161	29.6 Å²	29.6	75%	0.745	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.4	0.7	177.7	-48.6	-68.5	0	0	0	117.1	K103	K103-H105 PolarHBondContact O-N 3.2Å
106	E	56.1	Low	79.2	Confident	45 Å²	45	29.9 Å²	29.9	21%	0.21	15%	0.153	C	C	.	.			trans	-84.5	119.5	164.6	-52.6	-161.3	126	0	0	108.5	P102 S108 K119	P102-E106 HydrophobicContact CB-CB 3.87Å; P102-E106 HydrophobicContact CB-CG 4.31Å; P102-E106 VanDerWaalsContact CB-OE2 3.23Å; P102-E106 WeakPolarHBondContact CB-OE2 3.44Å; P102-E106 HydrophobicContact CG-CB 4.28Å; E106-S108 PolarHBondContact O-N 3.06Å; E106-K119 WeakPolarHBondContact OE1-CD 3.48Å; E106-K119 IonicContact OE1-NZ 3.47Å; E106-K119 PolarHBondContact OE1-NZ 3.22Å
107	G	55	Low	78.9	Confident	50 Å²	50	30.5 Å²	30.5	52%	0.515	16%	0.155	S	C	.	.	S	Bend	trans	-69.7	11.5	-166.8	0	0	0	0	0	115.7	F251	G107-F251 VanDerWaalsContact CA-CB 3.45Å
108	S	69.7	Low	78.6	Confident	18 Å²	18	30.1 Å²	30.1	13%	0.126	15%	0.153	C	C	.	.	S	Bend	trans	-97.9	149.2	164.5	61.6	0	0	0	0	110.6	P102 E106 F110 S252	P102-S108 WeakPolarHBondContact CG-O 3.49Å; E106-S108 PolarHBondContact O-N 3.06Å; S108-F110 WeakPolarHBondContact CB-O 3.24Å; S108-F110 PolarHBondContact OG-O 2.83Å; S108-S252 VanDerWaalsContact CB-CB 3.45Å; S108-S252 VanDerWaalsContact OG-CB 3.26Å; S108-S252 WeakPolarHBondContact OG-CB 3.48Å
109	Y	78.1	Confident	78.3	Confident	101 Å²	101	31.7 Å²	31.7	40%	0.396	16%	0.159	S	C	.	.	S	Bend	trans	-70.4	-36.4	172.8	-74.6	-59.6	0	0	0	111.9	P102 L470 K473	P102-Y109 VanDerWaalsContact CD-O 3.27Å; P102-Y109 WeakPolarHBondContact CD-O 3.3Å; Y109-L470 HydrophobicContact CD1-CB 4.35Å; Y109-L470 WeakPolarHBondContact O-CD1 3.14Å; Y109-K473 HydrophobicContact CD1-CG 4.28Å; Y109-K473 HydrophobicContact CD2-CD 4.37Å; Y109-K473 HydrophobicContact CD2-CG 4.01Å; Y109-K473 HydrophobicContact CE2-CD 4.48Å; Y109-K473 VanDerWaalsContact CE2-CE 3.41Å; Y109-K473 HydrophobicContact CE2-CG 4.41Å; Y109-K473 HydrophobicContact CG-CG 3.93Å
110	F	86.9	Confident	77.9	Confident	4 Å²	4	31.5 Å²	31.5	2%	0.018	16%	0.158	C	C	.	.	S	Bend	trans	-132.6	162.9	-174.7	-61.6	-84.7	0	0	0	111.8	V100 S108 N112 I146 I148 L463 L470 K473 I474	V100-F110 HydrophobicContact CG2-CD1 4.42Å; V100-F110 CarbonylContact O-C 3.47Å; V100-F110 VanDerWaalsContact O-CA 3.23Å; V100-F110 WeakPolarHBondContact O-CA 3.29Å; V100-F110 VanDerWaalsContact O-CB 3.32Å; V100-F110 WeakPolarHBondContact O-CB 3.2Å; V100-F110 WeakPolarHBondContact O-CD1 3.33Å; S108-F110 WeakPolarHBondContact CB-O 3.24Å; S108-F110 PolarHBondContact OG-O 2.83Å; F110-N112 PolarHBondContact O-N 3.04Å; F110-I146 HydrophobicContact CB-CB 3.76Å; F110-I146 HydrophobicContact CB-CG2 4.11Å; F110-I146 WeakPolarHBondContact CB-O 3.29Å; F110-I146 HydrophobicContact CD1-CB 3.97Å; F110-I146 HydrophobicContact CD1-CD1 3.87Å; F110-I146 HydrophobicContact CD1-CG1 4.46Å; F110-I146 HydrophobicContact CD1-CG2 3.99Å; F110-I146 HydrophobicContact CD2-CB 4.3Å; F110-I146 HydrophobicContact CD2-CG2 3.69Å; F110-I146 HydrophobicContact CE1-CD1 3.97Å; F110-I146 HydrophobicContact CE1-CG2 4.27Å; F110-I146 HydrophobicContact CE2-CG2 4.02Å; F110-I146 HydrophobicContact CG-CB 3.77Å; F110-I146 HydrophobicContact CG-CG2 3.67Å; F110-I146 HydrophobicContact CZ-CG2 4.29Å; F110-I148 HydrophobicContact CD2-CB 4.21Å; F110-I148 HydrophobicContact CE2-CB 4.07Å; F110-I148 HydrophobicContact CE2-CD1 4.32Å; F110-L463 HydrophobicContact CD1-CD1 4.41Å; F110-L463 HydrophobicContact CE1-CD1 3.8Å; F110-L470 HydrophobicContact CD1-CD1 3.71Å; F110-L470 HydrophobicContact CD2-CD1 3.9Å; F110-L470 HydrophobicContact CE1-CD1 3.31Å; F110-L470 HydrophobicContact CE1-CG 4.29Å; F110-L470 HydrophobicContact CE2-CD1 3.5Å; F110-L470 HydrophobicContact CG-CD1 4Å; F110-L470 HydrophobicContact CZ-CD1 3.19Å; F110-L470 HydrophobicContact CZ-CG 4.36Å; F110-K473 HydrophobicContact CE2-CB 3.8Å; F110-K473 HydrophobicContact CE2-CG 4.28Å; F110-K473 HydrophobicContact CZ-CB 4.05Å; F110-I474 HydrophobicContact CE1-CD1 3.99Å; F110-I474 HydrophobicContact CZ-CD1 3.78Å
111	I	88.7	Confident	77.6	Confident	7 Å²	7	33 Å²	33	4%	0.036	17%	0.166	C	C	.	.			trans	-69.5	116.8	164.7	-61.8	-58.2	0	0	0	107.7	S99 V100 P102 A113 N116 Q143 C145 I146	S99-I111 WeakPolarHBondContact O-CG1 3.47Å; V100-I111 PolarHBondContact O-N 3.42Å; P102-I111 HydrophobicContact CB-CD1 3.89Å; I111-A113 VanDerWaalsContact CG2-O 3.32Å; I111-A113 WeakPolarHBondContact CG2-O 3.43Å; I111-N116 HydrophobicContact CD1-CB 3.75Å; I111-N116 HydrophobicContact CG2-CB 4.13Å; I111-Q143 HydrophobicContact CG2-CG 4.2Å; I111-C145 CarbonylContact O-C 3.58Å; I111-C145 WeakPolarHBondContact O-CA 3.42Å; I111-I146 PolarHBondContact O-N 2.76Å
112	N	88.8	Confident	77.8	Confident	24 Å²	24	32.4 Å²	32.4	13%	0.128	16%	0.163	C	C	.	.			trans	-109	-8.9	-173.8	65.1	-19.7	0	0	0	113.6	F110 N116 R147	F110-N112 PolarHBondContact O-N 3.04Å; N112-N116 PolarHBondContact OD1-ND2 3.17Å; N112-N116 PolarHBondContact OD1-OD1 3.02Å; N112-N116 VanDerWaalsContact OD1-OD1 3.04Å; N112-R147 HydrophobicContact CB-CG 4.24Å
113	A	90.3	Very high	78.3	Confident	10 Å²	10	33 Å²	33	8%	0.083	17%	0.166	C	C	.	.	S	Bend	trans	-146.7	157.2	174.9	0	0	0	0	0	111.8	I111 M115 N116 M170	I111-A113 VanDerWaalsContact CG2-O 3.32Å; I111-A113 WeakPolarHBondContact CG2-O 3.43Å; A113-M115 HydrophobicContact CB-CG 3.98Å; A113-M115 PolarHBondContact O-N 2.81Å; A113-N116 WeakPolarHBondContact CA-OD1 3.4Å; A113-N116 PolarHBondContact N-OD1 3.24Å; A113-N116 PolarHBondContact O-N 3.35Å; A113-N116 PolarHBondContact O-OD1 3.06Å; A113-M170 HydrophobicContact CB-CE 4.18Å; A113-M170 HydrophobicContact CB-SD 4.11Å
114	G	91.7	Very high	79.1	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-60.3	-32.2	176.3	0	0	0	0	0	113.7	N116 Q117 M170 W174	G114-N116 VanDerWaalsContact C-N 3.31Å; G114-N116 PolarHBondContact O-N 2.95Å; G114-Q117 PolarHBondContact O-NE2 3.19Å; G114-Q117 VanDerWaalsContact O-NE2 3.11Å; G114-M170 PolarHBondContact N-SD 3.21Å; G114-M170 VanDerWaalsContact N-SD 3.4Å; G114-W174 VanDerWaalsContact C-CZ2 3.46Å
115	M	91.2	Very high	80.1	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.01	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-67.5	-22	-176.4	74.6	86	69.2	0	0	114.9	A113 Q117 F118 F122 W246 L256 I299 D328	A113-M115 HydrophobicContact CB-CG 3.98Å; A113-M115 PolarHBondContact O-N 2.81Å; M115-Q117 PolarHBondContact O-N 3.37Å; M115-Q117 VanDerWaalsContact O-N 3.11Å; M115-F118 PolarHBondContact O-N 2.91Å; M115-F122 HydrophobicContact CB-CE2 4.01Å; M115-F122 HydrophobicContact CB-CZ 4.42Å; M115-F122 HydrophobicContact CE-CD2 3.9Å; M115-F122 HydrophobicContact CE-CE2 3.71Å; M115-F122 HydrophobicContact CE-CZ 4.48Å; M115-W246 HydrophobicContact CE-CH2 3.73Å; M115-W246 HydrophobicContact CE-CZ3 4.12Å; M115-W246 HydrophobicContact CG-CH2 4.19Å; M115-W246 HydrophobicContact SD-CH2 4.02Å; M115-L256 HydrophobicContact CE-CB 4.26Å; M115-L256 HydrophobicContact CE-CD1 3.51Å; M115-I299 HydrophobicContact CE-CD1 3.89Å; M115-D328 WeakPolarHBondContact CB-OD2 3.43Å; M115-D328 WeakPolarHBondContact CG-OD2 3.44Å
116	N	88.1	Confident	80.1	Confident	6 Å²	6	31.4 Å²	31.4	3%	0.032	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-56.3	-35.8	-173.8	-69.4	98.8	0	0	0	112.3	I111 N112 A113 G114 F118 K119 S252	I111-N116 HydrophobicContact CD1-CB 3.75Å; I111-N116 HydrophobicContact CG2-CB 4.13Å; N112-N116 PolarHBondContact OD1-ND2 3.17Å; N112-N116 PolarHBondContact OD1-OD1 3.02Å; N112-N116 VanDerWaalsContact OD1-OD1 3.04Å; A113-N116 WeakPolarHBondContact CA-OD1 3.4Å; A113-N116 PolarHBondContact N-OD1 3.24Å; A113-N116 PolarHBondContact O-N 3.35Å; A113-N116 PolarHBondContact O-OD1 3.06Å; G114-N116 VanDerWaalsContact C-N 3.31Å; G114-N116 PolarHBondContact O-N 2.95Å; N116-F118 PolarHBondContact O-N 3.13Å; N116-K119 WeakPolarHBondContact O-CB 3.4Å; N116-K119 PolarHBondContact O-N 3.36Å; N116-S252 PolarHBondContact ND2-O 3.2Å
117	Q	85.9	Confident	79.9	Confident	16 Å²	16	31 Å²	31	8%	0.075	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-69.6	-14.5	179.4	76.9	-166.3	-76.9	0	0	114	A96 A98 G114 M115 N141	A96-Q117 PolarHBondContact O-OE1 2.97Å; A98-Q117 HydrophobicContact CB-CB 4.05Å; G114-Q117 PolarHBondContact O-NE2 3.19Å; G114-Q117 VanDerWaalsContact O-NE2 3.11Å; M115-Q117 PolarHBondContact O-N 3.37Å; M115-Q117 VanDerWaalsContact O-N 3.11Å; Q117-N141 PolarHBondContact NE2-ND2 3.4Å
118	F	88.4	Confident	79.7	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-107.2	7.8	-178.1	-52.8	-61.9	0	0	0	113.1	V95 M115 N116 S120 I121 F122 F133 L136 A139 W174 F176	V95-F118 HydrophobicContact CB-CZ 4.21Å; V95-F118 HydrophobicContact CG1-CE1 4.12Å; V95-F118 HydrophobicContact CG1-CZ 4.06Å; V95-F118 HydrophobicContact CG2-CE1 4.23Å; V95-F118 HydrophobicContact CG2-CZ 4.15Å; M115-F118 PolarHBondContact O-N 2.91Å; N116-F118 PolarHBondContact O-N 3.13Å; F118-S120 PolarHBondContact O-N 2.8Å; F118-S120 VanDerWaalsContact O-N 3.15Å; F118-I121 HydrophobicContact CB-CD1 4.35Å; F118-I121 HydrophobicContact CD1-CD1 3.99Å; F118-I121 WeakPolarHBondContact O-CA 3.31Å; F118-I121 WeakPolarHBondContact O-CB 3.34Å; F118-I121 PolarHBondContact O-N 2.97Å; F118-F122 HydrophobicContact CB-CD2 4.25Å; F118-F122 HydrophobicContact CB-CE2 3.71Å; F118-F122 HydrophobicContact CB-CZ 4.23Å; F118-F122 VanDerWaalsContact O-CD2 3.25Å; F118-F122 WeakPolarHBondContact O-CD2 3.08Å; F118-F122 PolarHBondContact O-N 3.41Å; F118-F133 HydrophobicContact CD1-CD2 4.3Å; F118-F133 AromaticContact CD1-CE2 3.81Å; F118-F133 HydrophobicContact CD1-CE2 3.81Å; F118-F133 HydrophobicContact CD1-CZ 4.29Å; F118-F133 AromaticContact CE1-CE2 3.84Å; F118-F133 HydrophobicContact CE1-CE2 3.84Å; F118-F133 AromaticContact CE1-CZ 3.84Å; F118-F133 HydrophobicContact CE1-CZ 3.84Å; F118-L136 HydrophobicContact CE1-CD2 4.14Å; F118-A139 HydrophobicContact CE1-CB 4.32Å; F118-A139 HydrophobicContact CE2-CB 4.41Å; F118-A139 HydrophobicContact CZ-CB 3.89Å; F118-W174 AromaticContact CD2-CD2 3.84Å; F118-W174 HydrophobicContact CD2-CD2 3.84Å; F118-W174 HydrophobicContact CD2-CE3 4.27Å; F118-W174 HydrophobicContact CD2-CG 4.05Å; F118-W174 AromaticContact CE2-CD2 3.48Å; F118-W174 HydrophobicContact CE2-CD2 3.48Å; F118-W174 VanDerWaalsContact CE2-CD2 3.48Å; F118-W174 AromaticContact CE2-CE2 3.82Å; F118-W174 AromaticContact CE2-CE3 3.45Å; F118-W174 HydrophobicContact CE2-CE3 3.45Å; F118-W174 VanDerWaalsContact CE2-CE3 3.45Å; F118-W174 HydrophobicContact CE2-CG 4.11Å; F118-W174 HydrophobicContact CE2-CH2 4.12Å; F118-W174 HydrophobicContact CE2-CZ2 4.16Å; F118-W174 AromaticContact CE2-CZ3 3.76Å; F118-W174 HydrophobicContact CE2-CZ3 3.76Å; F118-W174 HydrophobicContact CZ-CD2 4.46Å; F118-W174 HydrophobicContact CZ-CE3 4.07Å; F118-W174 HydrophobicContact CZ-CZ3 4.33Å; F118-F176 HydrophobicContact CB-CE1 3.78Å; F118-F176 HydrophobicContact CB-CZ 3.83Å; F118-F176 AromaticContact CD1-CZ 3.82Å; F118-F176 HydrophobicContact CD1-CZ 3.82Å; F118-F176 HydrophobicContact CD2-CZ 4.01Å; F118-F176 HydrophobicContact CE1-CZ 4.38Å; F118-F176 HydrophobicContact CG-CE1 4.1Å; F118-F176 AromaticContact CG-CZ 3.61Å; F118-F176 HydrophobicContact CG-CZ 3.61Å
119	K	84.2	Confident	78.8	Confident	34 Å²	34	33.1 Å²	33.1	15%	0.148	18%	0.178	C	C	.	.	H	α-helix	trans	-49.1	-42	-179.4	-179.1	178.3	162	-166.7	0	113.3	E106 N116 I121 F122 L123 F251	E106-K119 WeakPolarHBondContact OE1-CD 3.48Å; E106-K119 IonicContact OE1-NZ 3.47Å; E106-K119 PolarHBondContact OE1-NZ 3.22Å; N116-K119 WeakPolarHBondContact O-CB 3.4Å; N116-K119 PolarHBondContact O-N 3.36Å; K119-I121 VanDerWaalsContact C-N 3.31Å; K119-I121 PolarHBondContact O-N 3.08Å; K119-F122 PolarHBondContact O-N 2.73Å; K119-L123 HydrophobicContact CG-CD1 3.86Å; K119-L123 WeakPolarHBondContact O-CG 3.49Å; K119-L123 PolarHBondContact O-N 3.36Å; K119-F251 PolarHBondContact NZ-O 3.32Å
120	S	79.8	Confident	77.9	Confident	11 Å²	11	29 Å²	29	8%	0.077	16%	0.164	C	C	.	.	H	α-helix	trans	-62	-37.5	177.9	51.5	0	0	0	0	112.6	F118 N124 Q125 D127	F118-S120 PolarHBondContact O-N 2.8Å; F118-S120 VanDerWaalsContact O-N 3.15Å; S120-N124 PolarHBondContact O-N 3.3Å; S120-Q125 PolarHBondContact O-N 3.32Å; S120-D127 WeakPolarHBondContact CB-OD2 3.35Å; S120-D127 PolarHBondContact OG-OD2 2.89Å
121	I	86	Confident	76.7	Confident	31 Å²	31	33.1 Å²	33.1	16%	0.159	19%	0.193	C	C	.	.	H	α-helix	trans	-67.5	-47.2	177.1	-53.4	176.8	0	0	0	110.3	F118 K119 L123 N124 F133 L136 F176	F118-I121 HydrophobicContact CB-CD1 4.35Å; F118-I121 HydrophobicContact CD1-CD1 3.99Å; F118-I121 WeakPolarHBondContact O-CA 3.31Å; F118-I121 WeakPolarHBondContact O-CB 3.34Å; F118-I121 PolarHBondContact O-N 2.97Å; K119-I121 VanDerWaalsContact C-N 3.31Å; K119-I121 PolarHBondContact O-N 3.08Å; I121-L123 VanDerWaalsContact C-N 3.27Å; I121-L123 PolarHBondContact O-N 2.96Å; I121-N124 PolarHBondContact O-N 3.03Å; I121-N124 VanDerWaalsContact O-N 3.13Å; I121-F133 HydrophobicContact CD1-CB 4.34Å; I121-F133 HydrophobicContact CD1-CD2 4.33Å; I121-F133 WeakPolarHBondContact CD1-O 3.46Å; I121-L136 HydrophobicContact CD1-CB 4.21Å; I121-F176 HydrophobicContact CB-CD1 4.13Å; I121-F176 HydrophobicContact CB-CE1 4.27Å; I121-F176 HydrophobicContact CD1-CE1 4.26Å; I121-F176 HydrophobicContact CD1-CE2 4.31Å; I121-F176 HydrophobicContact CD1-CZ 4.15Å; I121-F176 HydrophobicContact CG2-CB 3.95Å; I121-F176 HydrophobicContact CG2-CD1 3.48Å; I121-F176 VanDerWaalsContact CG2-CD1 3.48Å; I121-F176 HydrophobicContact CG2-CD2 4.49Å; I121-F176 HydrophobicContact CG2-CE1 4.1Å; I121-F176 HydrophobicContact CG2-CG 3.71Å
122	F	87.1	Confident	75.8	Confident	2 Å²	2	37.5 Å²	37.5	1%	0.009	21%	0.213	C	C	.	.	H	α-helix	trans	-60.5	-37.1	179	-64	-57	0	0	0	112.7	M115 F118 K119 N124 F176 L256 I299 F326	M115-F122 HydrophobicContact CB-CE2 4.01Å; M115-F122 HydrophobicContact CB-CZ 4.42Å; M115-F122 HydrophobicContact CE-CD2 3.9Å; M115-F122 HydrophobicContact CE-CE2 3.71Å; M115-F122 HydrophobicContact CE-CZ 4.48Å; F118-F122 HydrophobicContact CB-CD2 4.25Å; F118-F122 HydrophobicContact CB-CE2 3.71Å; F118-F122 HydrophobicContact CB-CZ 4.23Å; F118-F122 VanDerWaalsContact O-CD2 3.25Å; F118-F122 WeakPolarHBondContact O-CD2 3.08Å; F118-F122 PolarHBondContact O-N 3.41Å; K119-F122 PolarHBondContact O-N 2.73Å; F122-N124 VanDerWaalsContact C-N 3.3Å; F122-N124 PolarHBondContact O-N 2.76Å; F122-F176 HydrophobicContact CD1-CD1 4.34Å; F122-F176 HydrophobicContact CD1-CE1 4.37Å; F122-F176 AromaticContact CE1-CD1 3.91Å; F122-F176 HydrophobicContact CE1-CD1 3.91Å; F122-F176 AromaticContact CE1-CE1 3.69Å; F122-F176 HydrophobicContact CE1-CE1 3.69Å; F122-F176 HydrophobicContact CE2-CE1 4.4Å; F122-F176 HydrophobicContact CZ-CD1 4.4Å; F122-F176 AromaticContact CZ-CE1 3.72Å; F122-F176 HydrophobicContact CZ-CE1 3.72Å; F122-L256 HydrophobicContact CB-CD1 3.52Å; F122-L256 HydrophobicContact CB-CD2 3.97Å; F122-L256 HydrophobicContact CB-CG 4.43Å; F122-L256 HydrophobicContact CD2-CD1 3.68Å; F122-L256 HydrophobicContact CG-CD1 3.81Å; F122-I299 HydrophobicContact CD1-CD1 4.2Å; F122-I299 HydrophobicContact CE1-CD1 3.93Å; F122-I299 HydrophobicContact CE2-CD1 4.47Å; F122-I299 HydrophobicContact CZ-CD1 4.07Å; F122-F326 HydrophobicContact CD1-CB 3.84Å; F122-F326 AromaticContact CD1-CD1 3.49Å; F122-F326 HydrophobicContact CD1-CD1 3.49Å; F122-F326 VanDerWaalsContact CD1-CD1 3.49Å; F122-F326 AromaticContact CD1-CD2 4Å; F122-F326 HydrophobicContact CD1-CD2 4Å; F122-F326 AromaticContact CD1-CE1 3.98Å; F122-F326 HydrophobicContact CD1-CE1 3.98Å; F122-F326 HydrophobicContact CD1-CE2 4.41Å; F122-F326 AromaticContact CD1-CG 3.52Å; F122-F326 HydrophobicContact CD1-CG 3.52Å; F122-F326 HydrophobicContact CD1-CZ 4.41Å; F122-F326 HydrophobicContact CE1-CB 3.73Å; F122-F326 AromaticContact CE1-CD1 3.85Å; F122-F326 HydrophobicContact CE1-CD1 3.85Å; F122-F326 AromaticContact CE1-CG 3.9Å; F122-F326 HydrophobicContact CE1-CG 3.9Å
123	L	83.6	Confident	75.4	Confident	29 Å²	29	36.5 Å²	36.5	15%	0.152	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	3.9	-179.6	-63	177.1	0	0	0	113.6	K119 I121 Q125 L256	K119-L123 HydrophobicContact CG-CD1 3.86Å; K119-L123 WeakPolarHBondContact O-CG 3.49Å; K119-L123 PolarHBondContact O-N 3.36Å; I121-L123 VanDerWaalsContact C-N 3.27Å; I121-L123 PolarHBondContact O-N 2.96Å; L123-Q125 HydrophobicContact CB-CG 3.77Å; L123-Q125 PolarHBondContact O-N 3.33Å; L123-L256 HydrophobicContact CD2-CD2 3.95Å; L123-L256 HydrophobicContact CD2-CG 4.48Å
124	N	80.5	Confident	74.6	Confident	132 Å²	132	42.9 Å²	42.9	71%	0.706	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	35.6	-173.6	-166.2	44.1	0	0	0	112.9	S120 I121 F122	S120-N124 PolarHBondContact O-N 3.3Å; I121-N124 PolarHBondContact O-N 3.03Å; I121-N124 VanDerWaalsContact O-N 3.13Å; F122-N124 VanDerWaalsContact C-N 3.3Å; F122-N124 PolarHBondContact O-N 2.76Å
125	Q	68.4	Low	74.1	Confident	64 Å²	64	50.7 Å²	50.7	30%	0.299	27%	0.27	S	S	.	.			trans	-94.8	135.5	178.9	-69.1	175.7	-16.6	0	0	109.4	S120 L123 D127 N776	S120-Q125 PolarHBondContact O-N 3.32Å; L123-Q125 HydrophobicContact CB-CG 3.77Å; L123-Q125 PolarHBondContact O-N 3.33Å; Q125-D127 PolarHBondContact O-N 3.4Å; Q125-D127 VanDerWaalsContact O-N 3.13Å; Q125-N776 VanDerWaalsContact CB-ND2 3.33Å; Q125-N776 WeakPolarHBondContact CB-ND2 3.45Å; Q125-N776 PolarHBondContact NE2-OD1 3.19Å; Q125-N776 PolarHBondContact OE1-ND2 3.46Å
126	S	53.5	Low	74	Confident	73 Å²	73	51.1 Å²	51.1	51%	0.51	27%	0.273	S	S	.	.			trans	-76.6	101.4	174.8	53.1	0	0	0	0	110	S128	S126-S128 PolarHBondContact O-N 3.3Å; S126-S128 VanDerWaalsContact O-N 3.09Å
127	D	52.8	Low	74.2	Confident	37 Å²	37	58.9 Å²	58.9	20%	0.198	30%	0.302	C	S	.	.			trans	-64.8	107.5	160.7	-110.7	-35.7	0	0	0	107.7	S120 Q125 I129	S120-D127 WeakPolarHBondContact CB-OD2 3.35Å; S120-D127 PolarHBondContact OG-OD2 2.89Å; Q125-D127 PolarHBondContact O-N 3.4Å; Q125-D127 VanDerWaalsContact O-N 3.13Å; D127-I129 PolarHBondContact O-N 3.25Å; D127-I129 VanDerWaalsContact O-N 3.1Å
128	S	49.9	Very low	74.7	Confident	69 Å²	69	59.4 Å²	59.4	48%	0.483	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-13	-179.3	59.1	0	0	0	0	112.9	S126	S126-S128 PolarHBondContact O-N 3.3Å; S126-S128 VanDerWaalsContact O-N 3.09Å
129	I	51.8	Low	75.1	Confident	43 Å²	43	59.4 Å²	59.4	22%	0.221	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-28.8	-166.4	-51.2	-178.7	0	0	0	112.3	D127 P532 L904	D127-I129 PolarHBondContact O-N 3.25Å; D127-I129 VanDerWaalsContact O-N 3.1Å; I129-P532 HydrophobicContact CB-CB 4.16Å; I129-P532 HydrophobicContact CG2-CB 3.8Å; I129-L904 HydrophobicContact CD1-CD2 4.01Å; I129-L904 HydrophobicContact CG1-CD2 3.99Å; I129-L904 HydrophobicContact CG2-CD2 4.25Å
130	C	57.4	Low	75.8	Confident	15 Å²	15	57.8 Å²	57.8	10%	0.101	30%	0.296	C	S	.	.			trans	-140.9	99.6	-175.1	-164.9	0	0	0	0	111.8	E132 F133 P532	C130-E132 PolarHBondContact O-N 3.18Å; C130-F133 HydrophobicContact CB-CB 4.47Å; C130-F133 PolarHBondContact O-N 2.62Å; C130-P532 HydrophobicContact CB-CG 4.41Å
131	S	61.7	Low	76.6	Confident	90 Å²	90	57.2 Å²	57.2	63%	0.629	29%	0.292	S	S	*	.	H	α-helix	trans	-60.9	-25.4	175	55.2	0	0	0	0	113	K134	S131-K134 WeakPolarHBondContact O-CB 3.38Å; S131-K134 PolarHBondContact O-N 3.45Å
132	E	69.9	Low	77.1	Confident	99 Å²	99	55.8 Å²	55.8	46%	0.463	28%	0.284	S	S	.	.	H	α-helix	trans	-66.2	-38.9	178.2	-62.9	-178.2	165.1	0	0	112	C130 K134 Q135 L136 I529	C130-E132 PolarHBondContact O-N 3.18Å; E132-K134 PolarHBondContact O-N 3.02Å; E132-Q135 PolarHBondContact O-N 3.39Å; E132-L136 PolarHBondContact O-N 3.3Å; E132-I529 HydrophobicContact CB-CG2 4.13Å
133	F	81.3	Confident	77.6	Confident	3 Å²	3	55.7 Å²	55.7	1%	0.013	28%	0.284	C	S	.	.	H	α-helix	trans	-64.9	-27.6	177.5	-91.1	34.5	0	0	0	112.8	V95 F118 I121 C130 Q135 L136 I529	V95-F133 HydrophobicContact CG1-CE1 4.02Å; V95-F133 HydrophobicContact CG1-CZ 3.8Å; F118-F133 HydrophobicContact CD1-CD2 4.3Å; F118-F133 AromaticContact CD1-CE2 3.81Å; F118-F133 HydrophobicContact CD1-CE2 3.81Å; F118-F133 HydrophobicContact CD1-CZ 4.29Å; F118-F133 AromaticContact CE1-CE2 3.84Å; F118-F133 HydrophobicContact CE1-CE2 3.84Å; F118-F133 AromaticContact CE1-CZ 3.84Å; F118-F133 HydrophobicContact CE1-CZ 3.84Å; I121-F133 HydrophobicContact CD1-CB 4.34Å; I121-F133 HydrophobicContact CD1-CD2 4.33Å; I121-F133 WeakPolarHBondContact CD1-O 3.46Å; C130-F133 HydrophobicContact CB-CB 4.47Å; C130-F133 PolarHBondContact O-N 2.62Å; F133-Q135 PolarHBondContact O-N 3.43Å; F133-L136 HydrophobicContact CD1-CD1 3.86Å; F133-L136 HydrophobicContact CE1-CD1 4.27Å; F133-L136 HydrophobicContact CG-CD1 4.45Å; F133-L136 WeakPolarHBondContact O-CB 3.29Å; F133-L136 PolarHBondContact O-N 2.88Å; F133-I529 HydrophobicContact CD1-CG2 3.87Å; F133-I529 HydrophobicContact CE1-CG2 3.67Å
134	K	73.9	Confident	78.2	Confident	145 Å²	145	54.3 Å²	54.3	63%	0.63	28%	0.277	S	S	*	.	H	α-helix	trans	-65.7	-26.7	173.4	-91.2	-176.3	174.5	-179.8	0	113.5	S131 E132	S131-K134 WeakPolarHBondContact O-CB 3.38Å; S131-K134 PolarHBondContact O-N 3.45Å; E132-K134 PolarHBondContact O-N 3.02Å
135	Q	80.8	Confident	78.9	Confident	163 Å²	163	48 Å²	48	76%	0.762	24%	0.243	S	C	*	.	H	α-helix	trans	-93.9	-5	-177.9	-60.7	-174.7	8.1	0	0	112.6	E132 F133 R137	E132-Q135 PolarHBondContact O-N 3.39Å; F133-Q135 PolarHBondContact O-N 3.43Å; Q135-R137 PolarHBondContact O-N 3.36Å
136	L	88.7	Confident	80.1	Confident	11 Å²	11	45 Å²	45	6%	0.058	23%	0.229	C	C	.	.			trans	-64.6	121.1	179.9	-114.2	102.2	0	0	0	110.9	V95 F118 I121 E132 F133 A139 F176 I529	V95-L136 HydrophobicContact CG2-CD2 3.94Å; F118-L136 HydrophobicContact CE1-CD2 4.14Å; I121-L136 HydrophobicContact CD1-CB 4.21Å; E132-L136 PolarHBondContact O-N 3.3Å; F133-L136 HydrophobicContact CD1-CD1 3.86Å; F133-L136 HydrophobicContact CE1-CD1 4.27Å; F133-L136 HydrophobicContact CG-CD1 4.45Å; F133-L136 WeakPolarHBondContact O-CB 3.29Å; F133-L136 PolarHBondContact O-N 2.88Å; L136-A139 HydrophobicContact CD2-CB 3.54Å; L136-F176 HydrophobicContact CB-CD2 4.12Å; L136-F176 HydrophobicContact CB-CE2 4.21Å; L136-F176 HydrophobicContact CD2-CD2 4.31Å; L136-F176 HydrophobicContact CD2-CE2 3.63Å; L136-F176 HydrophobicContact CD2-CZ 4.49Å; L136-F176 WeakPolarHBondContact O-CD2 3.42Å; L136-I529 HydrophobicContact CD1-CD1 3.38Å; L136-I529 HydrophobicContact CD1-CG2 4.07Å; L136-I529 HydrophobicContact CG-CD1 4.22Å
137	R	93.1	Very high	81.8	Confident	170 Å²	170	44 Å²	44	64%	0.642	21%	0.214	S	C	*	.	S	Bend	trans	-101.2	-35.9	171	-65.1	-167.4	-178	-149.1	3.7	112.7	Q135 F176 D178	Q135-R137 PolarHBondContact O-N 3.36Å; R137-F176 PolarHBondContact O-N 3.45Å; R137-D178 HydrophobicContact CB-CB 4.11Å; R137-D178 WeakPolarHBondContact CD-OD1 3.44Å; R137-D178 IonicContact NH1-OD1 3.93Å
138	R	96.1	Very high	83.3	Confident	26 Å²	26	42.4 Å²	42.4	10%	0.098	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	139.3	-177.5	-61.5	-177	-173.4	-138.4	-13.2	109.5	H90 H92 S93 W174 D178 Y179 E183	H90-R138 PolarHBondContact O-NH1 2.74Å; H92-R138 HydrophobicContact CB-CB 4.25Å; S93-R138 PolarHBondContact N-O 2.87Å; S93-R138 VanDerWaalsContact N-O 3.12Å; R138-W174 VanDerWaalsContact CA-O 3.29Å; R138-W174 WeakPolarHBondContact CA-O 3.3Å; R138-D178 HydrophobicContact CG-CB 4.29Å; R138-D178 IonicContact CZ-OD2 2.95Å; R138-D178 IonicContact NE-OD2 3.59Å; R138-D178 PolarHBondContact NE-OD2 2.9Å; R138-D178 IonicContact NH2-OD2 2.86Å; R138-D178 PolarHBondContact NH2-OD2 3.43Å; R138-Y179 HydrophobicContact CG-CD1 4.23Å; R138-Y179 HydrophobicContact CG-CE1 4.04Å; R138-Y179 VanDerWaalsContact CZ-CD1 3.46Å; R138-E183 IonicContact CZ-OE1 2.67Å; R138-E183 IonicContact NH1-OE1 3.78Å; R138-E183 PolarHBondContact NH1-OE1 3.15Å; R138-E183 IonicContact NH2-OE1 2.6Å; R138-E183 PolarHBondContact NH2-OE1 3.48Å; R138-E183 IonicContact NH2-OE2 2.86Å
139	A	97	Very high	84.2	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	151.8	175.7	0	0	0	0	0	113.1	H92 S93 V95 F118 L136 S173 W174 F176	H92-A139 PolarHBondContact CD2-O 3.23Å; H92-A139 VanDerWaalsContact CD2-O 3.23Å; S93-A139 CarbonylContact O-C 3.52Å; S93-A139 WeakPolarHBondContact O-CA 3.04Å; V95-A139 HydrophobicContact CG2-CB 3.74Å; F118-A139 HydrophobicContact CE1-CB 4.32Å; F118-A139 HydrophobicContact CE2-CB 4.41Å; F118-A139 HydrophobicContact CZ-CB 3.89Å; L136-A139 HydrophobicContact CD2-CB 3.54Å; A139-S173 CarbonylContact O-C 3.45Å; A139-S173 VanDerWaalsContact O-CA 3.28Å; A139-S173 WeakPolarHBondContact O-CA 3.41Å; A139-W174 HydrophobicContact CB-CB 4.29Å; A139-W174 HydrophobicContact CB-CE3 3.73Å; A139-W174 PolarHBondContact N-O 3Å; A139-W174 PolarHBondContact O-N 3.34Å; A139-F176 HydrophobicContact CB-CE2 4Å; A139-F176 HydrophobicContact CB-CZ 4.47Å
140	T	98.1	Very high	84.8	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	146	165.2	-171.9	0	0	0	0	111.3	F83 I84 F87 H92 S93 V94 V95 G172	F83-T140 WeakPolarHBondContact CE1-OG1 3.1Å; I84-T140 HydrophobicContact CD1-CG2 4.29Å; F87-T140 HydrophobicContact CB-CG2 3.74Å; H92-T140 HydrophobicContact CB-CG2 3.89Å; S93-T140 PolarHBondContact O-N 3.42Å; V94-T140 WeakPolarHBondContact CA-O 3.43Å; V94-T140 HydrophobicContact CG2-CG2 4.16Å; V95-T140 PolarHBondContact N-O 3.26Å; T140-G172 VanDerWaalsContact CA-O 3.24Å; T140-G172 WeakPolarHBondContact CA-O 3.46Å; T140-G172 PolarHBondContact OG1-O 3.2Å
141	N	97.1	Very high	85.1	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	-176	172.7	76.3	21.2	0	0	0	112.5	V95 Q117 Q143 G172 W174 F523	V95-N141 WeakPolarHBondContact O-CB 3.33Å; Q117-N141 PolarHBondContact NE2-ND2 3.4Å; N141-Q143 PolarHBondContact OD1-N 3.14Å; N141-G172 PolarHBondContact N-O 3.28Å; N141-G172 PolarHBondContact O-N 3.24Å; N141-W174 HydrophobicContact CB-CZ3 4.35Å; N141-W174 WeakPolarHBondContact OD1-CH2 3.26Å; N141-F523 HydrophobicContact CB-CE1 4.31Å; N141-F523 HydrophobicContact CB-CZ 4.33Å
142	S	97.3	Very high	85.3	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	103.2	167.4	-169.4	0	0	0	0	107.2	R80 P97 P144 E169	R80-S142 PolarHBondContact NE-OG 2.6Å; P97-S142 WeakPolarHBondContact CB-O 2.96Å; S142-P144 WeakPolarHBondContact O-CD 3.39Å; S142-E169 PolarHBondContact OG-OE2 3.2Å
143	Q	96.6	Very high	85.7	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	116.7	-174.4	-179.9	62.2	50.8	0	0	111	A98 I111 N141 C145 M170	A98-Q143 PolarHBondContact O-NE2 3.33Å; I111-Q143 HydrophobicContact CG2-CG 4.2Å; N141-Q143 PolarHBondContact OD1-N 3.14Å; Q143-C145 PolarHBondContact O-N 2.91Å; Q143-C145 PolarHBondContact O-SG 3.25Å; Q143-M170 PolarHBondContact N-O 2.67Å; Q143-M170 PolarHBondContact O-N 3.18Å
144	P	96.1	Very high	85.9	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	122.4	164.1	-19.8	32	0	0	0	109.9	V100 S142 E169 F457 L519	V100-P144 HydrophobicContact CG1-CB 4Å; S142-P144 WeakPolarHBondContact O-CD 3.39Å; P144-E169 HydrophobicContact CG-CG 4.36Å; P144-F457 HydrophobicContact CB-CD1 3.65Å; P144-F457 HydrophobicContact CB-CE1 3.8Å; P144-F457 HydrophobicContact CB-CG 4.35Å; P144-F457 HydrophobicContact CG-CD1 3.65Å; P144-F457 HydrophobicContact CG-CE1 3.36Å; P144-F457 HydrophobicContact CG-CZ 4.26Å; P144-L519 HydrophobicContact CG-CD2 3.52Å
145	C	94.9	Very high	86.7	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	138.3	-179.2	-64.9	0	0	0	0	109.2	I111 Q143 M167 F168	I111-C145 CarbonylContact O-C 3.58Å; I111-C145 WeakPolarHBondContact O-CA 3.42Å; Q143-C145 PolarHBondContact O-N 2.91Å; Q143-C145 PolarHBondContact O-SG 3.25Å; C145-M167 VanDerWaalsContact O-CA 3.3Å; C145-M167 WeakPolarHBondContact O-CA 3.46Å; C145-F168 HydrophobicContact CB-CE1 4.01Å; C145-F168 HydrophobicContact CB-CE2 4.23Å; C145-F168 HydrophobicContact CB-CZ 3.84Å; C145-F168 PolarHBondContact N-O 3.15Å; C145-F168 PolarHBondContact O-N 3.21Å
146	I	93.7	Very high	87	Confident	2 Å²	2	28.4 Å²	28.4	1%	0.01	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	125.2	173.4	-62.1	178.9	0	0	0	109.5	V100 F110 I111 I148 T166 M167 A454 A458	V100-I146 HydrophobicContact CB-CD1 3.82Å; V100-I146 HydrophobicContact CB-CG1 4.23Å; V100-I146 HydrophobicContact CG1-CD1 4.13Å; V100-I146 HydrophobicContact CG1-CG1 4.34Å; V100-I146 HydrophobicContact CG2-CD1 3.8Å; F110-I146 HydrophobicContact CB-CB 3.76Å; F110-I146 HydrophobicContact CB-CG2 4.11Å; F110-I146 WeakPolarHBondContact CB-O 3.29Å; F110-I146 HydrophobicContact CD1-CB 3.97Å; F110-I146 HydrophobicContact CD1-CD1 3.87Å; F110-I146 HydrophobicContact CD1-CG1 4.46Å; F110-I146 HydrophobicContact CD1-CG2 3.99Å; F110-I146 HydrophobicContact CD2-CB 4.3Å; F110-I146 HydrophobicContact CD2-CG2 3.69Å; F110-I146 HydrophobicContact CE1-CD1 3.97Å; F110-I146 HydrophobicContact CE1-CG2 4.27Å; F110-I146 HydrophobicContact CE2-CG2 4.02Å; F110-I146 HydrophobicContact CG-CB 3.77Å; F110-I146 HydrophobicContact CG-CG2 3.67Å; F110-I146 HydrophobicContact CZ-CG2 4.29Å; I111-I146 PolarHBondContact O-N 2.76Å; I146-I148 HydrophobicContact CG2-CB 4.23Å; I146-I148 HydrophobicContact CG2-CD1 3.46Å; I146-I148 VanDerWaalsContact CG2-CD1 3.46Å; I146-I148 HydrophobicContact CG2-CG1 3.63Å; I146-T166 CarbonylContact C-O 3.42Å; I146-T166 WeakPolarHBondContact CA-O 3.21Å; I146-M167 HydrophobicContact CG1-CB 4.18Å; I146-M167 HydrophobicContact CG1-CG 4.13Å; I146-A454 HydrophobicContact CD1-CB 4.3Å; I146-A458 HydrophobicContact CD1-CB 4.46Å
147	R	89.9	Confident	87	Confident	52 Å²	52	31.2 Å²	31.2	20%	0.196	16%	0.158	C	C	.	.			trans	-111.6	80.9	-179.4	-73.9	-174.9	-179.6	178.4	2	111	N112 H152 D154 T166 F168	N112-R147 HydrophobicContact CB-CG 4.24Å; R147-H152 WeakPolarHBondContact CB-O 3.21Å; R147-H152 HydrophobicContact CG-CB 4.36Å; R147-D154 HydrophobicContact CB-CB 4.36Å; R147-D154 WeakPolarHBondContact CD-OD2 3.43Å; R147-D154 IonicContact NH1-OD2 3.77Å; R147-D154 PolarHBondContact NH1-OD2 3.16Å; R147-D154 PolarHBondContact O-N 2.98Å; R147-T166 PolarHBondContact N-O 3.15Å; R147-F168 HydrophobicContact CG-CE1 3.98Å
148	I	84.5	Confident	86.9	Confident	3 Å²	3	23.2 Å²	23.2	2%	0.015	13%	0.128	C	C	.	.			trans	-134.4	107.5	-179.4	-57.6	173.3	0	0	0	109.4	F110 I146 L155 T166 K473 L477	F110-I148 HydrophobicContact CD2-CB 4.21Å; F110-I148 HydrophobicContact CE2-CB 4.07Å; F110-I148 HydrophobicContact CE2-CD1 4.32Å; I146-I148 HydrophobicContact CG2-CB 4.23Å; I146-I148 HydrophobicContact CG2-CD1 3.46Å; I146-I148 VanDerWaalsContact CG2-CD1 3.46Å; I146-I148 HydrophobicContact CG2-CG1 3.63Å; I148-L155 HydrophobicContact CD1-CD1 4.44Å; I148-L155 HydrophobicContact CG1-CD1 4.24Å; I148-L155 HydrophobicContact CG2-CD1 4.35Å; I148-L155 HydrophobicContact CG2-CD2 4.1Å; I148-T166 HydrophobicContact CD1-CG2 4.32Å; I148-T166 HydrophobicContact CG1-CG2 4.18Å; I148-K473 HydrophobicContact CG2-CD 4.23Å; I148-L477 HydrophobicContact CD1-CD1 3.44Å; I148-L477 VanDerWaalsContact CD1-CD1 3.44Å; I148-L477 HydrophobicContact CD1-CD2 3.57Å; I148-L477 HydrophobicContact CD1-CG 3.62Å
149	G	69.1	Low	86.5	Confident	16 Å²	16	22 Å²	22	17%	0.165	12%	0.123	C	C	.	.	S	Bend	trans	71.9	163.7	-173	0	0	0	0	0	114.1	D153	G149-D153 PolarHBondContact N-OD1 3.09Å
150	G	63.6	Low	86	Confident	61 Å²	61	24.5 Å²	24.5	63%	0.629	13%	0.133	S	C	*	.	S	Bend	trans	88.9	-159.1	-173	0	0	0	0	0	111.5
151	R	63.7	Low	85.5	Confident	89 Å²	89	26.1 Å²	26.1	34%	0.336	14%	0.142	S	C	.	.	S	Bend	trans	-71.8	-35.6	-178	-178.5	175.3	172.1	-150.7	-13.8	113.6	R247 E311	R151-R247 VanDerWaalsContact CZ-NE 3.31Å; R151-R247 VanDerWaalsContact NH1-CD 3.28Å; R151-R247 PolarHBondContact NH1-O 3.27Å; R151-E311 IonicContact NH2-OE1 3.54Å
152	H	66	Low	85.1	Confident	47 Å²	47	27.8 Å²	27.8	22%	0.218	15%	0.148	C	C	.	.	S	Bend	trans	-104.5	87.2	177.6	-56.7	-72.4	0	0	0	107.4	R147	R147-H152 WeakPolarHBondContact CB-O 3.21Å; R147-H152 HydrophobicContact CG-CB 4.36Å
153	D	78.8	Confident	84.7	Confident	60 Å²	60	30.5 Å²	30.5	32%	0.321	16%	0.161	S	C	.	.			trans	-121	98.5	-176.8	-172.6	16.7	0	0	0	109.9	G149 L155	G149-D153 PolarHBondContact N-OD1 3.09Å; D153-L155 VanDerWaalsContact C-N 3.34Å; D153-L155 VanDerWaalsContact OD1-CB 3.26Å; D153-L155 WeakPolarHBondContact OD1-CB 3.35Å; D153-L155 PolarHBondContact OD1-N 3.38Å
154	D	85.4	Confident	84.4	Confident	17 Å²	17	32.5 Å²	32.5	9%	0.091	17%	0.17	C	C	.	.			trans	-95.4	1.7	-175.1	-58.2	-14.6	0	0	0	110.8	R147 N156 D157 V158 H164	R147-D154 HydrophobicContact CB-CB 4.36Å; R147-D154 WeakPolarHBondContact CD-OD2 3.43Å; R147-D154 IonicContact NH1-OD2 3.77Å; R147-D154 PolarHBondContact NH1-OD2 3.16Å; R147-D154 PolarHBondContact O-N 2.98Å; D154-N156 PolarHBondContact O-N 3.36Å; D154-D157 PolarHBondContact O-N 3Å; D154-V158 VanDerWaalsContact O-CG2 3.29Å; D154-V158 WeakPolarHBondContact O-CG2 3.45Å; D154-V158 PolarHBondContact O-N 3.29Å; D154-H164 HydrophobicContact CB-CB 4.34Å; D154-H164 IonicContact OD1-CD2 2.76Å; D154-H164 IonicContact OD2-CD2 3.43Å
155	L	89.6	Confident	84.3	Confident	10 Å²	10	32.8 Å²	32.8	5%	0.052	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-30.5	-168.9	-175.9	69.4	0	0	0	113.7	I148 D153 T166 L477 R480	I148-L155 HydrophobicContact CD1-CD1 4.44Å; I148-L155 HydrophobicContact CG1-CD1 4.24Å; I148-L155 HydrophobicContact CG2-CD1 4.35Å; I148-L155 HydrophobicContact CG2-CD2 4.1Å; D153-L155 VanDerWaalsContact C-N 3.34Å; D153-L155 VanDerWaalsContact OD1-CB 3.26Å; D153-L155 WeakPolarHBondContact OD1-CB 3.35Å; D153-L155 PolarHBondContact OD1-N 3.38Å; L155-T166 HydrophobicContact CD1-CG2 3.6Å; L155-L477 HydrophobicContact CD1-CD2 3.84Å; L155-R480 PolarHBondContact O-NH1 2.72Å
156	N	88.3	Confident	84.3	Confident	32 Å²	32	32.8 Å²	32.8	17%	0.171	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-14.8	-178.4	-63.9	-42.8	0	0	0	114.2	D154 Y160 R480 P613	D154-N156 PolarHBondContact O-N 3.36Å; N156-Y160 WeakPolarHBondContact O-CD2 3.37Å; N156-R480 PolarHBondContact OD1-NH1 2.86Å; N156-R480 VanDerWaalsContact OD1-NH1 3.1Å; N156-R480 PolarHBondContact OD1-NH2 3.1Å; N156-P613 HydrophobicContact CB-CG 3.87Å
157	D	87.4	Confident	84.4	Confident	70 Å²	70	32.7 Å²	32.7	37%	0.374	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-25.1	-179.1	-56	-55.8	0	0	0	111.6	D154 G159 Y160 D161 H164	D154-D157 PolarHBondContact O-N 3Å; D157-G159 PolarHBondContact O-N 3.14Å; D157-Y160 WeakPolarHBondContact O-CB 3.31Å; D157-Y160 PolarHBondContact O-N 3.43Å; D157-D161 PolarHBondContact O-N 3.46Å; D157-H164 HydrophobicContact CB-CB 4.03Å
158	V	90.9	Very high	84.7	Confident	2 Å²	2	31.3 Å²	31.3	1%	0.012	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	126.8	179.3	168.3	0	0	0	0	112.5	D154 Y160 H165 T166 D450	D154-V158 VanDerWaalsContact O-CG2 3.29Å; D154-V158 WeakPolarHBondContact O-CG2 3.45Å; D154-V158 PolarHBondContact O-N 3.29Å; V158-Y160 VanDerWaalsContact O-CD2 3.28Å; V158-Y160 WeakPolarHBondContact O-CD2 3.39Å; V158-Y160 PolarHBondContact O-N 3.02Å; V158-H165 VanDerWaalsContact CG2-C 3.43Å; V158-T166 HydrophobicContact CB-CG2 4.38Å; V158-T166 HydrophobicContact CG1-CG2 4.42Å; V158-T166 HydrophobicContact CG2-CG2 3.83Å; V158-T166 VanDerWaalsContact CG2-N 3.26Å; V158-D450 HydrophobicContact CG1-CB 3.79Å; V158-D450 VanDerWaalsContact CG1-OD2 3.26Å; V158-D450 WeakPolarHBondContact CG1-OD2 3.49Å
159	G	88.6	Confident	85.3	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	-9.5	-177.9	0	0	0	0	0	114.8	D157 Y347 R446	D157-G159 PolarHBondContact O-N 3.14Å; G159-Y347 PolarHBondContact N-OH 3.44Å; G159-Y347 VanDerWaalsContact N-OH 3.07Å; G159-R446 VanDerWaalsContact O-CZ 3.28Å; G159-R446 PolarHBondContact O-NE 3.24Å; G159-R446 PolarHBondContact O-NH2 3.36Å
160	Y	87.2	Confident	86.6	Confident	54 Å²	54	31.6 Å²	31.6	21%	0.212	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-29.1	177.7	-61.2	-82	0	0	0	112.5	N156 D157 V158 T443 C607 W608	N156-Y160 WeakPolarHBondContact O-CD2 3.37Å; D157-Y160 WeakPolarHBondContact O-CB 3.31Å; D157-Y160 PolarHBondContact O-N 3.43Å; V158-Y160 VanDerWaalsContact O-CD2 3.28Å; V158-Y160 WeakPolarHBondContact O-CD2 3.39Å; V158-Y160 PolarHBondContact O-N 3.02Å; Y160-T443 HydrophobicContact CD1-CG2 4.17Å; Y160-T443 HydrophobicContact CE1-CG2 3.8Å; Y160-T443 HydrophobicContact CE2-CG2 4.42Å; Y160-C607 HydrophobicContact CD2-CB 4.4Å; Y160-C607 HydrophobicContact CE1-CB 4.09Å; Y160-C607 HydrophobicContact CE2-CB 3.7Å; Y160-W608 PolarHBondContact OH-N 2.98Å
161	D	86.2	Confident	88.3	Confident	34 Å²	34	28.7 Å²	28.7	18%	0.182	13%	0.134	C	C	.	.	S	Bend	trans	-113.7	-178.3	170.4	73	42.1	0	0	0	113.4	D157 H163 H164 Y347 F377	D157-D161 PolarHBondContact O-N 3.46Å; D161-H163 IonicContact OD1-CE1 3.51Å; D161-H163 PolarHBondContact OD1-N 3.05Å; D161-H163 IonicContact OD1-ND1 3.95Å; D161-H163 IonicContact OD2-CE1 3.16Å; D161-H164 IonicContact OD1-CG 3.13Å; D161-H164 PolarHBondContact OD1-N 3.26Å; D161-H164 IonicContact OD1-ND1 2.72Å; D161-H164 IonicContact OD2-CE1 3.6Å; D161-H164 IonicContact OD2-CG 3.65Å; D161-H164 IonicContact OD2-ND1 3.89Å; D161-H164 PolarHBondContact OD2-ND1 3.08Å; D161-Y347 WeakPolarHBondContact O-CE2 3.16Å; D161-F377 WeakPolarHBondContact O-CE1 3.5Å
162	R	89.7	Confident	89.9	Confident	35 Å²	35	24.4 Å²	24.4	13%	0.132	12%	0.118	C	C	.	.	S	Bend	trans	-86.9	-9.3	-171.2	-56.4	-166.5	-174.7	-161.8	2.6	115.3	T344 S345 N346 F377 E395	R162-T344 WeakPolarHBondContact CD-O 3.44Å; R162-T344 PolarHBondContact NH1-OG1 3.08Å; R162-T344 VanDerWaalsContact NH1-OG1 3.15Å; R162-S345 WeakPolarHBondContact O-CA 3.24Å; R162-N346 PolarHBondContact O-N 2.94Å; R162-F377 HydrophobicContact CB-CZ 4.45Å; R162-F377 HydrophobicContact CG-CD1 4.17Å; R162-F377 HydrophobicContact CG-CD2 4.1Å; R162-F377 HydrophobicContact CG-CE1 4.06Å; R162-F377 HydrophobicContact CG-CE2 3.97Å; R162-F377 HydrophobicContact CG-CG 4.2Å; R162-F377 HydrophobicContact CG-CZ 3.95Å; R162-E395 IonicContact NH2-OE1 3.02Å; R162-E395 PolarHBondContact NH2-OE1 3.12Å
163	H	88.3	Confident	91.4	Very high	56 Å²	56	22.3 Å²	22.3	26%	0.259	11%	0.108	S	C	.	.	S	Bend	trans	-146.5	-14.8	-160.2	57.4	-69.7	0	0	0	116.6	D161 L291 N346	D161-H163 IonicContact OD1-CE1 3.51Å; D161-H163 PolarHBondContact OD1-N 3.05Å; D161-H163 IonicContact OD1-ND1 3.95Å; D161-H163 IonicContact OD2-CE1 3.16Å; H163-L291 HydrophobicContact CB-CD1 4.01Å; H163-N346 PolarHBondContact O-ND2 3.19Å
164	H	90.5	Very high	92.3	Very high	43 Å²	43	19.4 Å²	19.4	20%	0.199	9%	0.093	C	C	.	.			trans	-82.8	143.8	174.4	-73.2	94.8	0	0	0	111.8	D154 D157 D161 Y347	D154-H164 HydrophobicContact CB-CB 4.34Å; D154-H164 IonicContact OD1-CD2 2.76Å; D154-H164 IonicContact OD2-CD2 3.43Å; D157-H164 HydrophobicContact CB-CB 4.03Å; D161-H164 IonicContact OD1-CG 3.13Å; D161-H164 PolarHBondContact OD1-N 3.26Å; D161-H164 IonicContact OD1-ND1 2.72Å; D161-H164 IonicContact OD2-CE1 3.6Å; D161-H164 IonicContact OD2-CG 3.65Å; D161-H164 IonicContact OD2-ND1 3.89Å; D161-H164 PolarHBondContact OD2-ND1 3.08Å; H164-Y347 PolarHBondContact O-OH 2.75Å
165	H	94.3	Very high	92.9	Very high	6 Å²	6	18.6 Å²	18.6	3%	0.028	9%	0.088	C	C	.	.			trans	-138	143.2	-177.9	-72.9	-68	0	0	0	110.1	V158 M167 F168 N346 Y347 D450	V158-H165 VanDerWaalsContact CG2-C 3.43Å; H165-M167 VanDerWaalsContact C-N 3.25Å; H165-M167 WeakPolarHBondContact CB-O 3.34Å; H165-F168 HydrophobicContact CB-CB 4.22Å; H165-N346 WeakPolarHBondContact NE2-CB 3.35Å; H165-N346 PolarHBondContact NE2-ND2 3.45Å; H165-N346 VanDerWaalsContact NE2-ND2 3.11Å; H165-Y347 AromaticContact CE1-CE1 3.78Å; H165-Y347 AromaticContact CE1-CZ 3.83Å; H165-D450 WeakPolarHBondContact CA-OD1 3.39Å; H165-D450 WeakPolarHBondContact CB-OD1 3.24Å; H165-D450 IonicContact CG-OD1 3.9Å; H165-D450 IonicContact ND1-OD1 3.48Å; H165-D450 PolarHBondContact ND1-OD1 2.94Å
166	T	94.6	Very high	93.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.088	C	C	.	.	S	Bend	trans	-70.8	-32	166	62.8	0	0	0	0	110.3	I146 R147 I148 L155 V158 D450 H451 A454 L477	I146-T166 CarbonylContact C-O 3.42Å; I146-T166 WeakPolarHBondContact CA-O 3.21Å; R147-T166 PolarHBondContact N-O 3.15Å; I148-T166 HydrophobicContact CD1-CG2 4.32Å; I148-T166 HydrophobicContact CG1-CG2 4.18Å; L155-T166 HydrophobicContact CD1-CG2 3.6Å; V158-T166 HydrophobicContact CB-CG2 4.38Å; V158-T166 HydrophobicContact CG1-CG2 4.42Å; V158-T166 HydrophobicContact CG2-CG2 3.83Å; V158-T166 VanDerWaalsContact CG2-N 3.26Å; T166-D450 VanDerWaalsContact CB-OD2 3.23Å; T166-D450 WeakPolarHBondContact CB-OD2 3.39Å; T166-D450 WeakPolarHBondContact CG2-OD2 3.18Å; T166-D450 PolarHBondContact N-OD1 3.17Å; T166-D450 PolarHBondContact N-OD2 3.43Å; T166-D450 PolarHBondContact OG1-OD2 3.21Å; T166-H451 VanDerWaalsContact CG2-CE1 3.4Å; T166-H451 WeakPolarHBondContact CG2-CE1 3.47Å; T166-A454 WeakPolarHBondContact OG1-CB 3.12Å; T166-L477 HydrophobicContact CG2-CD2 4.13Å
167	M	95.1	Very high	93.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	129.2	176.4	-177.8	-75	-120.4	0	0	111.3	C145 I146 H165 R453 A454 F457	C145-M167 VanDerWaalsContact O-CA 3.3Å; C145-M167 WeakPolarHBondContact O-CA 3.46Å; I146-M167 HydrophobicContact CG1-CB 4.18Å; I146-M167 HydrophobicContact CG1-CG 4.13Å; H165-M167 VanDerWaalsContact C-N 3.25Å; H165-M167 WeakPolarHBondContact CB-O 3.34Å; M167-R453 HydrophobicContact CE-CB 3.72Å; M167-R453 PolarHBondContact O-NH1 2.87Å; M167-R453 HydrophobicContact SD-CB 4.34Å; M167-A454 HydrophobicContact CB-CB 3.75Å; M167-F457 HydrophobicContact CE-CD2 3.08Å; M167-F457 HydrophobicContact CE-CE2 3.1Å; M167-F457 HydrophobicContact CE-CG 3.89Å; M167-F457 HydrophobicContact CE-CZ 3.93Å
168	F	96	Very high	93.6	Very high	23 Å²	23	18.7 Å²	18.7	10%	0.101	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	161.2	171.9	65.1	-81.4	0	0	0	110.1	C145 R147 H165 M170 E334	C145-F168 HydrophobicContact CB-CE1 4.01Å; C145-F168 HydrophobicContact CB-CE2 4.23Å; C145-F168 HydrophobicContact CB-CZ 3.84Å; C145-F168 PolarHBondContact N-O 3.15Å; C145-F168 PolarHBondContact O-N 3.21Å; R147-F168 HydrophobicContact CG-CE1 3.98Å; H165-F168 HydrophobicContact CB-CB 4.22Å; F168-M170 HydrophobicContact CD2-CB 4.47Å; F168-M170 HydrophobicContact CE2-CB 3.95Å; F168-M170 HydrophobicContact CE2-CE 3.67Å; F168-M170 HydrophobicContact CZ-CE 3.79Å; F168-E334 WeakPolarHBondContact CB-OE2 3.33Å
169	E	97.3	Very high	93.9	Very high	5 Å²	5	19.2 Å²	19.2	2%	0.023	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	122.2	170.3	-78.8	-177.6	-106.4	0	0	110.6	R80 S142 P144 L333 E334 L519	R80-E169 IonicContact CZ-OE1 3.04Å; R80-E169 IonicContact CZ-OE2 3.15Å; R80-E169 IonicContact NE-OE1 2.99Å; R80-E169 IonicContact NE-OE2 2.91Å; R80-E169 PolarHBondContact NE-OE2 3.32Å; R80-E169 VanDerWaalsContact NH2-CD 3.26Å; R80-E169 IonicContact NH2-OE1 3.46Å; R80-E169 PolarHBondContact NH2-OE1 2.97Å; R80-E169 IonicContact NH2-OE2 2.59Å; R80-E169 PolarHBondContact NH2-OE2 2.64Å; R80-E169 VanDerWaalsContact NH2-OE2 3.17Å; S142-E169 PolarHBondContact OG-OE2 3.2Å; P144-E169 HydrophobicContact CG-CG 4.36Å; E169-L333 HydrophobicContact CB-CB 3.88Å; E169-L333 HydrophobicContact CB-CD2 3.85Å; E169-L333 HydrophobicContact CG-CD2 4.46Å; E169-L333 WeakPolarHBondContact O-CB 3.39Å; E169-L333 PolarHBondContact O-N 2.68Å; E169-E334 PolarHBondContact N-OE1 2.84Å; E169-E334 VanDerWaalsContact N-OE1 3.15Å; E169-E334 PolarHBondContact N-OE2 3.25Å; E169-L519 WeakPolarHBondContact OE2-CD1 3.42Å
170	M	97.7	Very high	94.2	Very high	19 Å²	19	21.9 Å²	21.9	9%	0.094	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	108.4	173	-170.8	177.7	-70.7	0	0	109.1	A113 G114 Q143 F168	A113-M170 HydrophobicContact CB-CE 4.18Å; A113-M170 HydrophobicContact CB-SD 4.11Å; G114-M170 PolarHBondContact N-SD 3.21Å; G114-M170 VanDerWaalsContact N-SD 3.4Å; Q143-M170 PolarHBondContact N-O 2.67Å; Q143-M170 PolarHBondContact O-N 3.18Å; F168-M170 HydrophobicContact CD2-CB 4.47Å; F168-M170 HydrophobicContact CE2-CB 3.95Å; F168-M170 HydrophobicContact CE2-CE 3.67Å; F168-M170 HydrophobicContact CZ-CE 3.79Å
171	L	98.6	Very high	94.7	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	123.8	166.6	-65.7	174.4	0	0	0	108.2	R80 F83 G330 M331 L333 L336	R80-L171 HydrophobicContact CB-CD2 4.44Å; R80-L171 HydrophobicContact CG-CD2 4.06Å; F83-L171 HydrophobicContact CB-CD1 4.04Å; F83-L171 HydrophobicContact CB-CD2 4.35Å; F83-L171 HydrophobicContact CD1-CB 3.92Å; F83-L171 HydrophobicContact CD1-CD1 4.4Å; F83-L171 HydrophobicContact CD1-CD2 3.89Å; F83-L171 HydrophobicContact CD1-CG 4.29Å; F83-L171 HydrophobicContact CD2-CB 4.13Å; F83-L171 HydrophobicContact CD2-CD1 4Å; F83-L171 HydrophobicContact CE1-CB 3.75Å; F83-L171 HydrophobicContact CE1-CD2 4.43Å; F83-L171 HydrophobicContact CE2-CB 3.92Å; F83-L171 HydrophobicContact CG-CB 4.12Å; F83-L171 HydrophobicContact CG-CD1 3.9Å; F83-L171 HydrophobicContact CG-CD2 4.15Å; F83-L171 HydrophobicContact CG-CG 4.29Å; F83-L171 HydrophobicContact CZ-CB 3.75Å; L171-G330 WeakPolarHBondContact O-CA 3.4Å; L171-M331 HydrophobicContact CB-CB 4.28Å; L171-M331 HydrophobicContact CB-CE 4.43Å; L171-M331 HydrophobicContact CD1-CE 3.72Å; L171-M331 PolarHBondContact N-O 2.78Å; L171-M331 PolarHBondContact O-N 2.9Å; L171-L333 HydrophobicContact CD1-CB 4.34Å; L171-L333 HydrophobicContact CD1-CD1 3.82Å; L171-L333 HydrophobicContact CD2-CD1 4.45Å; L171-L333 HydrophobicContact CG-CB 4.17Å; L171-L333 HydrophobicContact CG-CD1 4.29Å; L171-L336 HydrophobicContact CD1-CD2 4.15Å
172	G	97.9	Very high	95.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	150.2	-175.4	0	0	0	0	0	114.3	T140 N141 W174 T329	T140-G172 VanDerWaalsContact CA-O 3.24Å; T140-G172 WeakPolarHBondContact CA-O 3.46Å; T140-G172 PolarHBondContact OG1-O 3.2Å; N141-G172 PolarHBondContact N-O 3.28Å; N141-G172 PolarHBondContact O-N 3.24Å; G172-W174 VanDerWaalsContact CA-CH2 3.49Å; G172-W174 WeakPolarHBondContact O-CZ3 3.48Å; G172-T329 WeakPolarHBondContact CA-O 3.29Å
173	S	97.9	Very high	95.6	Very high	2 Å²	2	28 Å²	28	1%	0.014	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	138	167.9	65.1	0	0	0	0	109.9	F87 A139 T329	F87-S173 VanDerWaalsContact CD1-CB 3.44Å; F87-S173 WeakPolarHBondContact CE1-OG 3.29Å; F87-S173 WeakPolarHBondContact CZ-OG 3.42Å; A139-S173 CarbonylContact O-C 3.45Å; A139-S173 VanDerWaalsContact O-CA 3.28Å; A139-S173 WeakPolarHBondContact O-CA 3.41Å; S173-T329 PolarHBondContact N-OG1 2.82Å; S173-T329 PolarHBondContact O-N 3.24Å; S173-T329 PolarHBondContact O-OG1 3.48Å; S173-T329 PolarHBondContact OG-OG1 3Å
174	W	97.6	Very high	96.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	144.6	-175.4	-60.5	-82.8	0	0	0	111.7	G114 F118 R138 A139 N141 G172 F176 V327 D328	G114-W174 VanDerWaalsContact C-CZ2 3.46Å; F118-W174 AromaticContact CD2-CD2 3.84Å; F118-W174 HydrophobicContact CD2-CD2 3.84Å; F118-W174 HydrophobicContact CD2-CE3 4.27Å; F118-W174 HydrophobicContact CD2-CG 4.05Å; F118-W174 AromaticContact CE2-CD2 3.48Å; F118-W174 HydrophobicContact CE2-CD2 3.48Å; F118-W174 VanDerWaalsContact CE2-CD2 3.48Å; F118-W174 AromaticContact CE2-CE2 3.82Å; F118-W174 AromaticContact CE2-CE3 3.45Å; F118-W174 HydrophobicContact CE2-CE3 3.45Å; F118-W174 VanDerWaalsContact CE2-CE3 3.45Å; F118-W174 HydrophobicContact CE2-CG 4.11Å; F118-W174 HydrophobicContact CE2-CH2 4.12Å; F118-W174 HydrophobicContact CE2-CZ2 4.16Å; F118-W174 AromaticContact CE2-CZ3 3.76Å; F118-W174 HydrophobicContact CE2-CZ3 3.76Å; F118-W174 HydrophobicContact CZ-CD2 4.46Å; F118-W174 HydrophobicContact CZ-CE3 4.07Å; F118-W174 HydrophobicContact CZ-CZ3 4.33Å; R138-W174 VanDerWaalsContact CA-O 3.29Å; R138-W174 WeakPolarHBondContact CA-O 3.3Å; A139-W174 HydrophobicContact CB-CB 4.29Å; A139-W174 HydrophobicContact CB-CE3 3.73Å; A139-W174 PolarHBondContact N-O 3Å; A139-W174 PolarHBondContact O-N 3.34Å; N141-W174 HydrophobicContact CB-CZ3 4.35Å; N141-W174 WeakPolarHBondContact OD1-CH2 3.26Å; G172-W174 VanDerWaalsContact CA-CH2 3.49Å; G172-W174 WeakPolarHBondContact O-CZ3 3.48Å; W174-F176 HydrophobicContact CB-CE1 4.11Å; W174-F176 HydrophobicContact CB-CE2 3.98Å; W174-F176 HydrophobicContact CB-CZ 3.58Å; W174-F176 HydrophobicContact CG-CZ 4.2Å; W174-V327 VanDerWaalsContact CA-O 3.29Å; W174-V327 WeakPolarHBondContact CA-O 3.05Å; W174-D328 PolarHBondContact NE1-OD1 3.05Å
175	S	97	Very high	96.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	125.5	170.1	-167.3	0	0	0	0	110.8	G177 D178 Y179 F326 V327	S175-G177 VanDerWaalsContact C-N 3.34Å; S175-G177 PolarHBondContact O-N 3.4Å; S175-D178 PolarHBondContact OG-N 3.48Å; S175-Y179 WeakPolarHBondContact CB-O 3.31Å; S175-Y179 VanDerWaalsContact OG-CD1 3.23Å; S175-Y179 WeakPolarHBondContact OG-CD1 3.4Å; S175-Y179 PolarHBondContact OG-N 2.88Å; S175-Y179 PolarHBondContact OG-O 3.17Å; S175-F326 WeakPolarHBondContact O-CA 3.36Å; S175-V327 PolarHBondContact N-O 3.19Å; S175-V327 PolarHBondContact O-N 2.77Å; S175-V327 VanDerWaalsContact O-N 3.15Å
176	F	94.4	Very high	96.7	Very high	11 Å²	11	24.4 Å²	24.4	5%	0.048	13%	0.126	C	C	.	.	S	Bend	trans	-99	47.7	-177.5	-54.3	-66.7	0	0	0	112.6	F118 I121 F122 L136 R137 A139 W174 F326	F118-F176 HydrophobicContact CB-CE1 3.78Å; F118-F176 HydrophobicContact CB-CZ 3.83Å; F118-F176 AromaticContact CD1-CZ 3.82Å; F118-F176 HydrophobicContact CD1-CZ 3.82Å; F118-F176 HydrophobicContact CD2-CZ 4.01Å; F118-F176 HydrophobicContact CE1-CZ 4.38Å; F118-F176 HydrophobicContact CG-CE1 4.1Å; F118-F176 AromaticContact CG-CZ 3.61Å; F118-F176 HydrophobicContact CG-CZ 3.61Å; I121-F176 HydrophobicContact CB-CD1 4.13Å; I121-F176 HydrophobicContact CB-CE1 4.27Å; I121-F176 HydrophobicContact CD1-CE1 4.26Å; I121-F176 HydrophobicContact CD1-CE2 4.31Å; I121-F176 HydrophobicContact CD1-CZ 4.15Å; I121-F176 HydrophobicContact CG2-CB 3.95Å; I121-F176 HydrophobicContact CG2-CD1 3.48Å; I121-F176 VanDerWaalsContact CG2-CD1 3.48Å; I121-F176 HydrophobicContact CG2-CD2 4.49Å; I121-F176 HydrophobicContact CG2-CE1 4.1Å; I121-F176 HydrophobicContact CG2-CG 3.71Å; F122-F176 HydrophobicContact CD1-CD1 4.34Å; F122-F176 HydrophobicContact CD1-CE1 4.37Å; F122-F176 AromaticContact CE1-CD1 3.91Å; F122-F176 HydrophobicContact CE1-CD1 3.91Å; F122-F176 AromaticContact CE1-CE1 3.69Å; F122-F176 HydrophobicContact CE1-CE1 3.69Å; F122-F176 HydrophobicContact CE2-CE1 4.4Å; F122-F176 HydrophobicContact CZ-CD1 4.4Å; F122-F176 AromaticContact CZ-CE1 3.72Å; F122-F176 HydrophobicContact CZ-CE1 3.72Å; L136-F176 HydrophobicContact CB-CD2 4.12Å; L136-F176 HydrophobicContact CB-CE2 4.21Å; L136-F176 HydrophobicContact CD2-CD2 4.31Å; L136-F176 HydrophobicContact CD2-CE2 3.63Å; L136-F176 HydrophobicContact CD2-CZ 4.49Å; L136-F176 WeakPolarHBondContact O-CD2 3.42Å; R137-F176 PolarHBondContact O-N 3.45Å; A139-F176 HydrophobicContact CB-CE2 4Å; A139-F176 HydrophobicContact CB-CZ 4.47Å; W174-F176 HydrophobicContact CB-CE1 4.11Å; W174-F176 HydrophobicContact CB-CE2 3.98Å; W174-F176 HydrophobicContact CB-CZ 3.58Å; W174-F176 HydrophobicContact CG-CZ 4.2Å; F176-F326 HydrophobicContact CB-CD1 4.47Å; F176-F326 HydrophobicContact CB-CE1 4.49Å; F176-F326 HydrophobicContact CD1-CD1 4.17Å; F176-F326 HydrophobicContact CD1-CE1 4.48Å
177	G	91.5	Very high	96.8	Very high	43 Å²	43	24.6 Å²	24.6	44%	0.443	13%	0.127	S	C	.	.	S	Bend	trans	82.6	23.8	-175.1	0	0	0	0	0	114.2	S175 S325	S175-G177 VanDerWaalsContact C-N 3.34Å; S175-G177 PolarHBondContact O-N 3.4Å; G177-S325 WeakPolarHBondContact CA-O 3.21Å
178	D	94	Very high	97	Very high	59 Å²	59	24.8 Å²	24.8	32%	0.316	13%	0.128	S	C	.	.	S	Bend	trans	-98.1	-37.7	179.1	-166	73.1	0	0	0	112.8	R137 R138 S175	R137-D178 HydrophobicContact CB-CB 4.11Å; R137-D178 WeakPolarHBondContact CD-OD1 3.44Å; R137-D178 IonicContact NH1-OD1 3.93Å; R138-D178 HydrophobicContact CG-CB 4.29Å; R138-D178 IonicContact CZ-OD2 2.95Å; R138-D178 IonicContact NE-OD2 3.59Å; R138-D178 PolarHBondContact NE-OD2 2.9Å; R138-D178 IonicContact NH2-OD2 2.86Å; R138-D178 PolarHBondContact NH2-OD2 3.43Å; S175-D178 PolarHBondContact OG-N 3.48Å
179	Y	96.5	Very high	97.1	Very high	14 Å²	14	24.7 Å²	24.7	6%	0.055	13%	0.127	C	C	.	.			trans	-142.5	165.9	171.3	72.2	-95.7	0	0	0	110.5	H92 R138 S175 E183 A184 V327	H92-Y179 AromaticContact CE1-CE1 3.7Å; H92-Y179 AromaticContact CE1-CZ 3.95Å; H92-Y179 AromaticContact NE2-CE1 3.35Å; H92-Y179 WeakPolarHBondContact NE2-CE1 3.23Å; H92-Y179 AromaticContact NE2-CZ 3.49Å; H92-Y179 PolarHBondContact NE2-OH 3.43Å; R138-Y179 HydrophobicContact CG-CD1 4.23Å; R138-Y179 HydrophobicContact CG-CE1 4.04Å; R138-Y179 VanDerWaalsContact CZ-CD1 3.46Å; S175-Y179 WeakPolarHBondContact CB-O 3.31Å; S175-Y179 VanDerWaalsContact OG-CD1 3.23Å; S175-Y179 WeakPolarHBondContact OG-CD1 3.4Å; S175-Y179 PolarHBondContact OG-N 2.88Å; S175-Y179 PolarHBondContact OG-O 3.17Å; Y179-E183 WeakPolarHBondContact CB-OE2 3.38Å; Y179-E183 HydrophobicContact CD2-CB 3.82Å; Y179-E183 HydrophobicContact CD2-CG 4.03Å; Y179-E183 HydrophobicContact CG-CB 4.12Å; Y179-E183 HydrophobicContact CG-CG 4.11Å; Y179-A184 HydrophobicContact CD2-CB 4.31Å; Y179-A184 HydrophobicContact CE2-CB 3.89Å; Y179-V327 HydrophobicContact CD2-CG2 4.3Å; Y179-V327 HydrophobicContact CE2-CB 4.35Å; Y179-V327 HydrophobicContact CE2-CG1 4.33Å; Y179-V327 HydrophobicContact CE2-CG2 4.16Å
180	Y	95.8	Very high	97.1	Very high	56 Å²	56	28 Å²	28	22%	0.22	14%	0.141	C	C	.	.			trans	-138.6	-154.9	-176.6	-160.3	-129.5	0	0	0	112.2	K182 E183 A184 F298 T300 S325 V327	Y180-K182 PolarHBondContact O-N 3.31Å; Y180-E183 PolarHBondContact O-N 3.01Å; Y180-A184 WeakPolarHBondContact O-CB 3.48Å; Y180-A184 PolarHBondContact O-N 3.15Å; Y180-F298 HydrophobicContact CE2-CB 3.89Å; Y180-F298 HydrophobicContact CE2-CD1 4.17Å; Y180-F298 HydrophobicContact CE2-CG 4.39Å; Y180-F298 WeakPolarHBondContact OH-CB 3.5Å; Y180-T300 VanDerWaalsContact OH-CG2 3.28Å; Y180-T300 WeakPolarHBondContact OH-CG2 3.29Å; Y180-S325 VanDerWaalsContact CE2-CB 3.45Å; Y180-V327 HydrophobicContact CD2-CG2 3.94Å
181	K	97.2	Very high	97.2	Very high	15 Å²	15	27.2 Å²	27.2	7%	0.065	14%	0.137	C	C	.	.	H	α-helix	trans	-40.6	-54.7	-171.9	-69.1	169	175	-178.5	0	115.3	E183 A184 C185 D219 E221 T222 I225 F298	K181-E183 PolarHBondContact O-N 3.29Å; K181-A184 PolarHBondContact O-N 3.02Å; K181-C185 WeakPolarHBondContact O-CB 3.29Å; K181-C185 PolarHBondContact O-N 2.81Å; K181-C185 PolarHBondContact O-SG 3.38Å; K181-D219 VanDerWaalsContact CE-OD2 3.31Å; K181-D219 WeakPolarHBondContact CE-OD2 3.17Å; K181-D219 VanDerWaalsContact NZ-CG 3.26Å; K181-D219 IonicContact NZ-OD1 3.4Å; K181-D219 PolarHBondContact NZ-OD1 2.96Å; K181-D219 IonicContact NZ-OD2 3.17Å; K181-D219 PolarHBondContact NZ-OD2 3.5Å; K181-E221 HydrophobicContact CD-CG 4.18Å; K181-E221 WeakPolarHBondContact CD-OE2 3.38Å; K181-E221 IonicContact NZ-OE2 2.73Å; K181-E221 PolarHBondContact NZ-OE2 2.89Å; K181-T222 WeakPolarHBondContact CD-OG1 3.21Å; K181-I225 HydrophobicContact CB-CD1 3.62Å; K181-F298 HydrophobicContact CB-CE1 4.1Å; K181-F298 HydrophobicContact CB-CZ 4.21Å; K181-F298 HydrophobicContact CD-CD2 4.41Å; K181-F298 HydrophobicContact CG-CD1 3.59Å; K181-F298 HydrophobicContact CG-CD2 3.91Å; K181-F298 HydrophobicContact CG-CE1 3.55Å; K181-F298 HydrophobicContact CG-CE2 3.86Å; K181-F298 HydrophobicContact CG-CG 3.78Å; K181-F298 HydrophobicContact CG-CZ 3.69Å
182	K	97.8	Very high	97.2	Very high	162 Å²	162	27.2 Å²	27.2	70%	0.704	14%	0.137	S	C	*	.	H	α-helix	trans	-58.6	-47.1	-174.5	-176.1	176	-179.7	176.4	0	112.5	Y180 S186 I225	Y180-K182 PolarHBondContact O-N 3.31Å; K182-S186 VanDerWaalsContact O-CB 3.22Å; K182-S186 WeakPolarHBondContact O-CB 3.3Å; K182-S186 PolarHBondContact O-N 3.43Å; K182-S186 VanDerWaalsContact O-N 3.14Å; K182-I225 HydrophobicContact CB-CD1 4.09Å; K182-I225 HydrophobicContact CB-CG1 4.39Å
183	E	98	Very high	97.1	Very high	73 Å²	73	28.4 Å²	28.4	34%	0.341	14%	0.144	S	C	.	.	H	α-helix	trans	-74.5	-39.2	179.5	-173.4	174.1	162.1	0	0	111.1	R138 Y179 Y180 K181 S186 Q187	R138-E183 IonicContact CZ-OE1 2.67Å; R138-E183 IonicContact NH1-OE1 3.78Å; R138-E183 PolarHBondContact NH1-OE1 3.15Å; R138-E183 IonicContact NH2-OE1 2.6Å; R138-E183 PolarHBondContact NH2-OE1 3.48Å; R138-E183 IonicContact NH2-OE2 2.86Å; Y179-E183 WeakPolarHBondContact CB-OE2 3.38Å; Y179-E183 HydrophobicContact CD2-CB 3.82Å; Y179-E183 HydrophobicContact CD2-CG 4.03Å; Y179-E183 HydrophobicContact CG-CB 4.12Å; Y179-E183 HydrophobicContact CG-CG 4.11Å; Y180-E183 PolarHBondContact O-N 3.01Å; K181-E183 PolarHBondContact O-N 3.29Å; E183-S186 PolarHBondContact O-N 3.44Å; E183-Q187 HydrophobicContact CG-CG 4.41Å; E183-Q187 WeakPolarHBondContact O-CB 3.39Å; E183-Q187 WeakPolarHBondContact O-CG 3.47Å; E183-Q187 PolarHBondContact O-N 2.76Å; E183-Q187 PolarHBondContact OE1-NE2 3.03Å
184	A	98	Very high	97.1	Very high	3 Å²	3	34 Å²	34	3%	0.025	17%	0.17	C	C	.	.	H	α-helix	trans	-58.3	-55.4	176.8	0	0	0	0	0	112	Y179 Y180 K181 S186 Q187 V188 F298 V327	Y179-A184 HydrophobicContact CD2-CB 4.31Å; Y179-A184 HydrophobicContact CE2-CB 3.89Å; Y180-A184 WeakPolarHBondContact O-CB 3.48Å; Y180-A184 PolarHBondContact O-N 3.15Å; K181-A184 PolarHBondContact O-N 3.02Å; A184-S186 VanDerWaalsContact C-N 3.29Å; A184-S186 PolarHBondContact O-N 3.41Å; A184-Q187 PolarHBondContact O-N 3.43Å; A184-V188 WeakPolarHBondContact O-CG2 3.17Å; A184-V188 PolarHBondContact O-N 2.91Å; A184-F298 HydrophobicContact CB-CE1 4.26Å; A184-V327 HydrophobicContact CB-CG1 3.78Å; A184-V327 HydrophobicContact CB-CG2 4.16Å
185	C	98.6	Very high	97.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.4	-37.6	178.2	-60.7	0	0	0	0	111.5	K181 V188 W189 I225 W226 L229	K181-C185 WeakPolarHBondContact O-CB 3.29Å; K181-C185 PolarHBondContact O-N 2.81Å; K181-C185 PolarHBondContact O-SG 3.38Å; C185-V188 PolarHBondContact O-N 3.08Å; C185-W189 WeakPolarHBondContact O-CB 3.34Å; C185-W189 PolarHBondContact O-N 2.77Å; C185-I225 HydrophobicContact CB-CG2 3.64Å; C185-W226 HydrophobicContact CB-CD2 4.3Å; C185-W226 HydrophobicContact CB-CE3 4.49Å; C185-W226 HydrophobicContact CB-CH2 4.07Å; C185-W226 HydrophobicContact CB-CZ2 3.84Å; C185-W226 HydrophobicContact CB-CZ3 4.39Å; C185-L229 HydrophobicContact CB-CD1 3.85Å
186	S	98.4	Very high	97.1	Very high	27 Å²	27	34.9 Å²	34.9	19%	0.189	18%	0.176	C	C	.	.	H	α-helix	trans	-63.8	-42.3	176.4	-175.4	0	0	0	0	112.3	K182 E183 A184 W189 K190	K182-S186 VanDerWaalsContact O-CB 3.22Å; K182-S186 WeakPolarHBondContact O-CB 3.3Å; K182-S186 PolarHBondContact O-N 3.43Å; K182-S186 VanDerWaalsContact O-N 3.14Å; E183-S186 PolarHBondContact O-N 3.44Å; A184-S186 VanDerWaalsContact C-N 3.29Å; A184-S186 PolarHBondContact O-N 3.41Å; S186-W189 PolarHBondContact O-N 3.27Å; S186-K190 WeakPolarHBondContact O-CB 3.5Å; S186-K190 WeakPolarHBondContact O-CG 3.39Å; S186-K190 PolarHBondContact O-N 3.31Å
187	Q	98.4	Very high	97.2	Very high	5 Å²	5	37.2 Å²	37.2	2%	0.023	19%	0.189	C	C	.	.	H	α-helix	trans	-66.2	-42.4	176.8	-73.1	177.4	16.9	0	0	111.7	F86 F87 H92 E183 A184 F191	F86-Q187 HydrophobicContact CE1-CB 4.21Å; F86-Q187 HydrophobicContact CZ-CB 4.41Å; F86-Q187 WeakPolarHBondContact CZ-O 3.15Å; F87-Q187 HydrophobicContact CE1-CB 4.32Å; F87-Q187 VanDerWaalsContact CE1-OE1 3.23Å; H92-Q187 PolarHBondContact CE1-OE1 3.42Å; E183-Q187 HydrophobicContact CG-CG 4.41Å; E183-Q187 WeakPolarHBondContact O-CB 3.39Å; E183-Q187 WeakPolarHBondContact O-CG 3.47Å; E183-Q187 PolarHBondContact O-N 2.76Å; E183-Q187 PolarHBondContact OE1-NE2 3.03Å; A184-Q187 PolarHBondContact O-N 3.43Å; Q187-F191 WeakPolarHBondContact O-CB 3.11Å; Q187-F191 PolarHBondContact O-N 3.08Å
188	V	98.3	Very high	97.4	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.024	17%	0.169	C	C	.	.	H	α-helix	trans	-58.3	-50.7	174	171.1	0	0	0	0	110.5	A184 C185 F191 L192 W226 V263 W294	A184-V188 WeakPolarHBondContact O-CG2 3.17Å; A184-V188 PolarHBondContact O-N 2.91Å; C185-V188 PolarHBondContact O-N 3.08Å; V188-F191 PolarHBondContact O-N 2.93Å; V188-L192 HydrophobicContact CG1-CD1 4.07Å; V188-L192 WeakPolarHBondContact O-CG 3.49Å; V188-L192 PolarHBondContact O-N 2.58Å; V188-L192 VanDerWaalsContact O-N 3.15Å; V188-W226 HydrophobicContact CB-CH2 4.23Å; V188-W226 HydrophobicContact CG1-CH2 3.93Å; V188-V263 HydrophobicContact CG1-CG2 3.86Å; V188-W294 HydrophobicContact CB-CZ3 4.36Å; V188-W294 HydrophobicContact CG1-CD2 4.17Å; V188-W294 HydrophobicContact CG1-CE3 3.82Å; V188-W294 HydrophobicContact CG1-CZ3 4.07Å; V188-W294 HydrophobicContact CG2-CD2 4.24Å; V188-W294 HydrophobicContact CG2-CE3 4.38Å; V188-W294 HydrophobicContact CG2-CH2 4.08Å; V188-W294 HydrophobicContact CG2-CZ2 3.93Å; V188-W294 HydrophobicContact CG2-CZ3 4.29Å
189	W	98.1	Very high	97.4	Very high	20 Å²	20	33.3 Å²	33.3	8%	0.076	16%	0.158	C	C	.	.	H	α-helix	trans	-58.7	-52	179.6	-168.6	-116.2	0	0	0	111.7	C185 S186 F191 L192 T193 T200 I203 W226 L229 V231	C185-W189 WeakPolarHBondContact O-CB 3.34Å; C185-W189 PolarHBondContact O-N 2.77Å; S186-W189 PolarHBondContact O-N 3.27Å; W189-F191 VanDerWaalsContact C-N 3.32Å; W189-F191 PolarHBondContact O-N 2.94Å; W189-L192 PolarHBondContact O-N 3.3Å; W189-L192 VanDerWaalsContact O-N 3.1Å; W189-T193 HydrophobicContact CD2-CG2 3.83Å; W189-T193 HydrophobicContact CE3-CG2 4Å; W189-T193 HydrophobicContact CG-CG2 4.47Å; W189-T193 HydrophobicContact CH2-CG2 4.02Å; W189-T193 HydrophobicContact CZ2-CG2 3.84Å; W189-T193 HydrophobicContact CZ3-CG2 4.09Å; W189-T193 PolarHBondContact O-N 3.18Å; W189-T193 PolarHBondContact O-OG1 3.47Å; W189-T200 HydrophobicContact CH2-CG2 4.06Å; W189-T200 HydrophobicContact CZ2-CG2 3.83Å; W189-I203 HydrophobicContact CZ3-CB 4.31Å; W189-I203 HydrophobicContact CZ3-CD1 4.05Å; W189-I203 HydrophobicContact CZ3-CG2 3.99Å; W189-W226 HydrophobicContact CB-CZ3 3.98Å; W189-W226 HydrophobicContact CD2-CZ3 4.29Å; W189-W226 HydrophobicContact CE3-CE3 4.4Å; W189-W226 AromaticContact CE3-CZ3 3.79Å; W189-W226 HydrophobicContact CE3-CZ3 3.79Å; W189-W226 HydrophobicContact CG-CZ3 4.42Å; W189-L229 HydrophobicContact CB-CD1 4.25Å; W189-L229 HydrophobicContact CG-CB 4.26Å; W189-L229 PolarHBondContact NE1-O 3.1Å; W189-V231 HydrophobicContact CE3-CG2 4.09Å; W189-V231 HydrophobicContact CH2-CG2 3.78Å; W189-V231 HydrophobicContact CZ2-CG2 4.32Å; W189-V231 HydrophobicContact CZ3-CG2 3.65Å
190	K	98.2	Very high	97.2	Very high	76 Å²	76	35.7 Å²	35.7	33%	0.33	18%	0.175	S	C	.	.	H	α-helix	trans	-56.8	-43.3	178.6	-75.1	178.7	175.1	-177.8	0	112.6	F86 S186 L192 E194 V195	F86-K190 HydrophobicContact CE2-CB 4.45Å; F86-K190 HydrophobicContact CZ-CB 4.2Å; S186-K190 WeakPolarHBondContact O-CB 3.5Å; S186-K190 WeakPolarHBondContact O-CG 3.39Å; S186-K190 PolarHBondContact O-N 3.31Å; K190-L192 VanDerWaalsContact C-N 3.33Å; K190-L192 PolarHBondContact O-N 3.43Å; K190-E194 CarbonylContact O-C 3.6Å; K190-E194 WeakPolarHBondContact O-CA 3.5Å; K190-E194 VanDerWaalsContact O-CB 3.29Å; K190-E194 WeakPolarHBondContact O-CB 3.47Å; K190-E194 PolarHBondContact O-N 3.46Å; K190-V195 PolarHBondContact O-N 3.14Å
191	F	98.5	Very high	96.9	Very high	1 Å²	1	34.3 Å²	34.3	0%	0.004	17%	0.171	C	C	.	.	I	π-helix	trans	-60.4	-45.5	177.9	-174.4	-99.6	0	0	0	111.3	E82 F83 F86 Q187 V188 W189 V195 L196 W294 M331 L336	E82-F191 HydrophobicContact CG-CE2 4.47Å; F83-F191 HydrophobicContact CB-CE2 4.28Å; F83-F191 HydrophobicContact CB-CZ 4Å; F83-F191 HydrophobicContact CD2-CE1 4.18Å; F83-F191 HydrophobicContact CD2-CE2 4.4Å; F83-F191 HydrophobicContact CD2-CZ 4.03Å; F86-F191 HydrophobicContact CB-CD2 3.92Å; F86-F191 HydrophobicContact CB-CE2 4.11Å; F86-F191 HydrophobicContact CD1-CB 4.24Å; F86-F191 AromaticContact CD1-CD2 3.74Å; F86-F191 HydrophobicContact CD1-CD2 3.74Å; F86-F191 HydrophobicContact CD1-CG 4.36Å; F86-F191 HydrophobicContact CD2-CD2 4.19Å; F86-F191 HydrophobicContact CE1-CB 3.92Å; F86-F191 HydrophobicContact CE1-CD2 4.28Å; F86-F191 AromaticContact CG-CD2 3.68Å; F86-F191 HydrophobicContact CG-CD2 3.68Å; F86-F191 HydrophobicContact CG-CE2 4.38Å; F86-F191 HydrophobicContact CZ-CB 4.08Å; Q187-F191 WeakPolarHBondContact O-CB 3.11Å; Q187-F191 PolarHBondContact O-N 3.08Å; V188-F191 PolarHBondContact O-N 2.93Å; W189-F191 VanDerWaalsContact C-N 3.32Å; W189-F191 PolarHBondContact O-N 2.94Å; F191-V195 HydrophobicContact CD2-CB 4.11Å; F191-V195 HydrophobicContact CD2-CG1 4.12Å; F191-V195 HydrophobicContact CD2-CG2 4.33Å; F191-V195 HydrophobicContact CE2-CG1 4.11Å; F191-V195 VanDerWaalsContact O-CB 3.32Å; F191-V195 WeakPolarHBondContact O-CB 2.8Å; F191-V195 PolarHBondContact O-N 2.81Å; F191-L196 HydrophobicContact CD1-CD1 4.02Å; F191-L196 HydrophobicContact CD1-CG 4.35Å; F191-L196 HydrophobicContact CE1-CD1 3.52Å; F191-L196 HydrophobicContact CE1-CG 3.98Å; F191-L196 HydrophobicContact CZ-CD1 4.13Å; F191-L196 HydrophobicContact CZ-CD2 4.32Å; F191-L196 HydrophobicContact CZ-CG 4.22Å; F191-L196 WeakPolarHBondContact O-CG 3.39Å; F191-L196 PolarHBondContact O-N 3.2Å; F191-W294 HydrophobicContact CB-CH2 4.35Å; F191-W294 HydrophobicContact CB-CZ3 4.16Å; F191-W294 HydrophobicContact CD1-CH2 4.19Å; F191-W294 AromaticContact CD1-CZ3 3.68Å; F191-W294 HydrophobicContact CD1-CZ3 3.68Å; F191-W294 HydrophobicContact CG-CH2 4.41Å; F191-W294 HydrophobicContact CG-CZ3 4.22Å; F191-M331 HydrophobicContact CD1-CE 4.34Å; F191-M331 HydrophobicContact CE1-CE 3.8Å; F191-L336 HydrophobicContact CE1-CD2 4.48Å
192	L	98	Very high	96.7	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	17%	0.168	C	C	.	.	I	π-helix	trans	-72.4	-44.7	-178.2	-62.3	172.4	0	0	0	112.6	V188 W189 K190 L196 N197 L198 I203 V263 L293 W294	V188-L192 HydrophobicContact CG1-CD1 4.07Å; V188-L192 WeakPolarHBondContact O-CG 3.49Å; V188-L192 PolarHBondContact O-N 2.58Å; V188-L192 VanDerWaalsContact O-N 3.15Å; W189-L192 PolarHBondContact O-N 3.3Å; W189-L192 VanDerWaalsContact O-N 3.1Å; K190-L192 VanDerWaalsContact C-N 3.33Å; K190-L192 PolarHBondContact O-N 3.43Å; L192-L196 HydrophobicContact CD2-CD1 4.43Å; L192-N197 PolarHBondContact O-N 2.8Å; L192-L198 HydrophobicContact CB-CD1 4.36Å; L192-L198 HydrophobicContact CD2-CD1 3.9Å; L192-L198 WeakPolarHBondContact O-CB 3.14Å; L192-L198 PolarHBondContact O-N 2.82Å; L192-I203 HydrophobicContact CB-CD1 4.15Å; L192-V263 HydrophobicContact CD1-CG1 3.73Å; L192-V263 HydrophobicContact CD1-CG2 4.37Å; L192-L293 HydrophobicContact CD2-CD2 3.97Å; L192-W294 HydrophobicContact CD1-CE3 4.45Å; L192-W294 HydrophobicContact CD2-CE3 4.33Å; L192-W294 HydrophobicContact CG-CE3 4.41Å; L192-W294 HydrophobicContact CG-CZ3 4.44Å
193	T	96.7	Very high	96.5	Very high	24 Å²	24	25.9 Å²	25.9	15%	0.147	13%	0.134	C	C	.	.	I	π-helix	trans	-98.7	-23.4	-168.4	64.1	0	0	0	0	114.5	W189 N197 T200 I203	W189-T193 HydrophobicContact CD2-CG2 3.83Å; W189-T193 HydrophobicContact CE3-CG2 4Å; W189-T193 HydrophobicContact CG-CG2 4.47Å; W189-T193 HydrophobicContact CH2-CG2 4.02Å; W189-T193 HydrophobicContact CZ2-CG2 3.84Å; W189-T193 HydrophobicContact CZ3-CG2 4.09Å; W189-T193 PolarHBondContact O-N 3.18Å; W189-T193 PolarHBondContact O-OG1 3.47Å; T193-N197 WeakPolarHBondContact O-CA 3.37Å; T193-N197 PolarHBondContact O-OD1 2.97Å; T193-T200 HydrophobicContact CG2-CG2 3.84Å; T193-I203 HydrophobicContact CG2-CD1 3.81Å
194	E	97.2	Very high	96.4	Very high	119 Å²	119	22.7 Å²	22.7	56%	0.556	12%	0.119	S	C	*	.	I	π-helix	trans	-111.2	-34.6	-178.8	-56.5	177.6	-162.5	0	0	112.5	K190 N197	K190-E194 CarbonylContact O-C 3.6Å; K190-E194 WeakPolarHBondContact O-CA 3.5Å; K190-E194 VanDerWaalsContact O-CB 3.29Å; K190-E194 WeakPolarHBondContact O-CB 3.47Å; K190-E194 PolarHBondContact O-N 3.46Å; E194-N197 PolarHBondContact O-OD1 2.97Å; E194-N197 VanDerWaalsContact O-OD1 3.1Å
195	V	97.8	Very high	96.3	Very high	20 Å²	20	22.5 Å²	22.5	12%	0.121	12%	0.118	C	C	.	.	I	π-helix	trans	-87	-47.8	179.6	-177.5	0	0	0	0	111.2	R70 E82 F86 K190 F191	R70-V195 VanDerWaalsContact CD-O 3.3Å; R70-V195 WeakPolarHBondContact CD-O 3.19Å; R70-V195 PolarHBondContact NH1-O 3.05Å; E82-V195 HydrophobicContact CG-CG1 3.85Å; F86-V195 HydrophobicContact CD2-CG2 3.62Å; F86-V195 HydrophobicContact CE2-CG2 3.73Å; K190-V195 PolarHBondContact O-N 3.14Å; F191-V195 HydrophobicContact CD2-CB 4.11Å; F191-V195 HydrophobicContact CD2-CG1 4.12Å; F191-V195 HydrophobicContact CD2-CG2 4.33Å; F191-V195 HydrophobicContact CE2-CG1 4.11Å; F191-V195 VanDerWaalsContact O-CB 3.32Å; F191-V195 WeakPolarHBondContact O-CB 2.8Å; F191-V195 PolarHBondContact O-N 2.81Å
196	L	97.9	Very high	96.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.118	C	C	.	.	S	Bend	trans	-92.1	-14.4	177.4	-60.6	-177	0	0	0	113.4	R70 L71 F191 L192 L198 L336 M340	R70-L196 PolarHBondContact N-O 3.43Å; L71-L196 HydrophobicContact CB-CD2 4.48Å; L71-L196 HydrophobicContact CD1-CD2 3.99Å; F191-L196 HydrophobicContact CD1-CD1 4.02Å; F191-L196 HydrophobicContact CD1-CG 4.35Å; F191-L196 HydrophobicContact CE1-CD1 3.52Å; F191-L196 HydrophobicContact CE1-CG 3.98Å; F191-L196 HydrophobicContact CZ-CD1 4.13Å; F191-L196 HydrophobicContact CZ-CD2 4.32Å; F191-L196 HydrophobicContact CZ-CG 4.22Å; F191-L196 WeakPolarHBondContact O-CG 3.39Å; F191-L196 PolarHBondContact O-N 3.2Å; L192-L196 HydrophobicContact CD2-CD1 4.43Å; L196-L198 VanDerWaalsContact C-N 3.25Å; L196-L198 HydrophobicContact CB-CG 4.23Å; L196-L198 PolarHBondContact O-N 3.39Å; L196-L336 HydrophobicContact CD1-CD1 3.84Å; L196-M340 HydrophobicContact CB-CE 4.23Å; L196-M340 HydrophobicContact CB-SD 4.43Å; L196-M340 HydrophobicContact CD1-SD 4.03Å; L196-M340 HydrophobicContact CD2-CE 4.15Å
197	N	97.2	Very high	96.2	Very high	60 Å²	60	21.7 Å²	21.7	32%	0.321	11%	0.111	S	C	.	.			trans	52.6	39.7	-176.4	-69	-12.1	0	0	0	113.7	S68 R70 L192 T193 E194	S68-N197 WeakPolarHBondContact O-CB 3.25Å; S68-N197 PolarHBondContact O-ND2 3.31Å; R70-N197 HydrophobicContact CB-CB 4.42Å; L192-N197 PolarHBondContact O-N 2.8Å; T193-N197 WeakPolarHBondContact O-CA 3.37Å; T193-N197 PolarHBondContact O-OD1 2.97Å; E194-N197 PolarHBondContact O-OD1 2.97Å; E194-N197 VanDerWaalsContact O-OD1 3.1Å
198	L	95.9	Very high	96.1	Very high	5 Å²	5	21.7 Å²	21.7	3%	0.026	11%	0.111	C	C	.	.			trans	-65	136.8	172	-69.8	178.5	0	0	0	110.1	I69 L192 L196 T200 I203 I265 L270 V339 M340	I69-L198 HydrophobicContact CD1-CD2 4.12Å; I69-L198 HydrophobicContact CG1-CD2 4.3Å; I69-L198 HydrophobicContact CG2-CD2 4.29Å; L192-L198 HydrophobicContact CB-CD1 4.36Å; L192-L198 HydrophobicContact CD2-CD1 3.9Å; L192-L198 WeakPolarHBondContact O-CB 3.14Å; L192-L198 PolarHBondContact O-N 2.82Å; L196-L198 VanDerWaalsContact C-N 3.25Å; L196-L198 HydrophobicContact CB-CG 4.23Å; L196-L198 PolarHBondContact O-N 3.39Å; L198-T200 PolarHBondContact O-N 2.68Å; L198-I203 HydrophobicContact CB-CD1 4.28Å; L198-I265 HydrophobicContact CD1-CD1 4.39Å; L198-L270 HydrophobicContact CD2-CD2 4.12Å; L198-V339 HydrophobicContact CD1-CG1 4.41Å; L198-V339 HydrophobicContact CD2-CG1 4.19Å; L198-M340 HydrophobicContact CD2-SD 3.84Å; L198-M340 HydrophobicContact CG-SD 4.45Å
199	P	93.2	Very high	95.8	Very high	14 Å²	14	21.7 Å²	21.7	9%	0.091	11%	0.111	C	C	.	.			trans	-57.4	125.4	175.2	-22.8	32.7	0	0	0	110.6	A66 I69 N201 A202	A66-P199 HydrophobicContact CB-CG 4.02Å; I69-P199 HydrophobicContact CD1-CG 4.37Å; P199-N201 WeakPolarHBondContact CB-OD1 3.44Å; P199-N201 PolarHBondContact O-N 3.27Å; P199-A202 HydrophobicContact CB-CB 4.42Å; P199-A202 WeakPolarHBondContact O-CB 3.43Å; P199-A202 PolarHBondContact O-N 3.36Å
200	T	92.2	Very high	95.4	Very high	65 Å²	65	21.3 Å²	21.3	40%	0.399	11%	0.114	S	C	.	.	G	3₁₀ helix	trans	-62.8	-27.7	-178.1	53.7	0	0	0	0	112.3	W189 T193 L198 A202 I203	W189-T200 HydrophobicContact CH2-CG2 4.06Å; W189-T200 HydrophobicContact CZ2-CG2 3.83Å; T193-T200 HydrophobicContact CG2-CG2 3.84Å; L198-T200 PolarHBondContact O-N 2.68Å; T200-A202 PolarHBondContact O-N 2.88Å; T200-I203 PolarHBondContact O-N 3.09Å
201	N	89.5	Confident	95	Very high	26 Å²	26	19.3 Å²	19.3	14%	0.139	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-71.7	-9.2	173.5	69.7	-36.1	0	0	0	113.7	P199 K235 G273	P199-N201 WeakPolarHBondContact CB-OD1 3.44Å; P199-N201 PolarHBondContact O-N 3.27Å; N201-K235 WeakPolarHBondContact O-CE 3.47Å; N201-K235 PolarHBondContact O-NZ 2.92Å; N201-G273 PolarHBondContact ND2-O 3.49Å
202	A	92.1	Very high	94.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-90.2	-11.7	171.9	0	0	0	0	0	113.1	P199 T200 I265 D266 A269 L270	P199-A202 HydrophobicContact CB-CB 4.42Å; P199-A202 WeakPolarHBondContact O-CB 3.43Å; P199-A202 PolarHBondContact O-N 3.36Å; T200-A202 PolarHBondContact O-N 2.88Å; A202-I265 WeakPolarHBondContact O-CA 3.43Å; A202-D266 PolarHBondContact O-N 3.4Å; A202-A269 HydrophobicContact CB-CB 3.72Å; A202-L270 HydrophobicContact CB-CD2 3.99Å
203	I	94.4	Very high	93.7	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	121.1	-170.6	-54.6	174.8	0	0	0	110.3	W189 L192 T193 L198 T200 I205 K235 V263 I265	W189-I203 HydrophobicContact CZ3-CB 4.31Å; W189-I203 HydrophobicContact CZ3-CD1 4.05Å; W189-I203 HydrophobicContact CZ3-CG2 3.99Å; L192-I203 HydrophobicContact CB-CD1 4.15Å; T193-I203 HydrophobicContact CG2-CD1 3.81Å; L198-I203 HydrophobicContact CB-CD1 4.28Å; T200-I203 PolarHBondContact O-N 3.09Å; I203-I205 HydrophobicContact CG2-CD1 3.86Å; I203-I205 HydrophobicContact CG2-CG1 4.34Å; I203-K235 WeakPolarHBondContact O-CD 3.43Å; I203-V263 HydrophobicContact CG2-CG1 3.71Å; I203-I265 HydrophobicContact CG1-CD1 4Å
204	Y	95.6	Very high	93	Very high	5 Å²	5	37.2 Å²	37.2	2%	0.02	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	143.8	170.3	-76.5	-95.4	0	0	0	109.6	K235 M237 H264 D266 A279 R280 V283	Y204-K235 HydrophobicContact CD1-CB 3.87Å; Y204-K235 HydrophobicContact CD1-CG 3.97Å; Y204-K235 HydrophobicContact CE1-CB 4.1Å; Y204-K235 HydrophobicContact CE1-CD 4.49Å; Y204-K235 HydrophobicContact CE1-CG 3.7Å; Y204-K235 HydrophobicContact CG-CB 4.37Å; Y204-K235 PolarHBondContact OH-NZ 2.94Å; Y204-M237 HydrophobicContact CD1-CE 3.73Å; Y204-M237 HydrophobicContact CG-CE 4.32Å; Y204-H264 PolarHBondContact N-O 3.23Å; Y204-H264 PolarHBondContact O-N 2.76Å; Y204-D266 HydrophobicContact CD2-CB 4.25Å; Y204-D266 HydrophobicContact CE2-CB 3.95Å; Y204-A279 HydrophobicContact CE2-CB 3.9Å; Y204-A279 PolarHBondContact OH-N 3.5Å; Y204-R280 HydrophobicContact CE1-CB 4.13Å; Y204-V283 HydrophobicContact CD1-CG2 4.07Å; Y204-V283 HydrophobicContact CG-CG2 4.04Å
205	I	97.3	Very high	92.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	137.8	-178.5	-56.5	-66.2	0	0	0	109.6	I203 W226 V231 K235 L236 M237 E262 V263	I203-I205 HydrophobicContact CG2-CD1 3.86Å; I203-I205 HydrophobicContact CG2-CG1 4.34Å; I205-W226 HydrophobicContact CD1-CE3 4.44Å; I205-W226 HydrophobicContact CD1-CH2 4.04Å; I205-W226 HydrophobicContact CD1-CZ2 4.18Å; I205-W226 HydrophobicContact CD1-CZ3 4.17Å; I205-W226 HydrophobicContact CG1-CD2 4.36Å; I205-W226 HydrophobicContact CG1-CE3 4.36Å; I205-W226 HydrophobicContact CG2-CD2 3.84Å; I205-W226 HydrophobicContact CG2-CG 3.81Å; I205-W226 HydrophobicContact CG2-CZ2 4.21Å; I205-V231 HydrophobicContact CB-CG1 4.3Å; I205-V231 HydrophobicContact CG1-CG1 3.94Å; I205-V231 HydrophobicContact CG1-CG2 3.99Å; I205-K235 PolarHBondContact N-O 2.95Å; I205-L236 HydrophobicContact CB-CD1 3.82Å; I205-L236 HydrophobicContact CG2-CD1 3.65Å; I205-L236 CarbonylContact O-C 3.53Å; I205-L236 WeakPolarHBondContact O-CA 3.41Å; I205-M237 WeakPolarHBondContact O-CE 3.49Å; I205-M237 PolarHBondContact O-N 2.79Å; I205-E262 WeakPolarHBondContact CA-O 3.44Å; I205-V263 HydrophobicContact CD1-CB 4.13Å; I205-V263 HydrophobicContact CD1-CG1 3.98Å; I205-V263 HydrophobicContact CD1-CG2 3.72Å
206	T	96.7	Very high	91.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	153.6	172.8	66.3	0	0	0	0	111.5	M237 F239 N244 T261 E262 V283	T206-M237 CarbonylContact C-O 3.58Å; T206-M237 WeakPolarHBondContact CA-O 3.29Å; T206-M237 HydrophobicContact CG2-CB 4.49Å; T206-M237 HydrophobicContact CG2-CE 4.08Å; T206-F239 HydrophobicContact CG2-CD2 3.67Å; T206-F239 HydrophobicContact CG2-CE2 3.49Å; T206-F239 VanDerWaalsContact CG2-CE2 3.49Å; T206-N244 VanDerWaalsContact CB-OD1 3.32Å; T206-N244 WeakPolarHBondContact CB-OD1 3.37Å; T206-N244 PolarHBondContact OG1-ND2 3.36Å; T206-N244 PolarHBondContact OG1-OD1 3.14Å; T206-T261 WeakPolarHBondContact O-CA 3.44Å; T206-T261 WeakPolarHBondContact O-CB 3.13Å; T206-T261 PolarHBondContact O-OG1 2.9Å; T206-E262 PolarHBondContact N-O 3.06Å; T206-E262 PolarHBondContact O-N 2.82Å; T206-E262 VanDerWaalsContact OG1-CB 3.31Å; T206-E262 WeakPolarHBondContact OG1-CB 3.4Å; T206-E262 PolarHBondContact OG1-N 3.1Å; T206-E262 PolarHBondContact OG1-O 3.45Å; T206-V283 HydrophobicContact CG2-CG1 3.62Å
207	Y	96.5	Very high	91.6	Very high	10 Å²	10	39.3 Å²	39.3	4%	0.039	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	160.8	175.5	71.3	-82.7	0	0	0	111.3	G209 R223 L236 M237 P238 F239 N244	Y207-G209 PolarHBondContact O-N 2.99Å; Y207-R223 HydrophobicContact CD1-CB 4.31Å; Y207-R223 HydrophobicContact CD2-CB 4.09Å; Y207-R223 HydrophobicContact CE1-CB 4.14Å; Y207-R223 HydrophobicContact CE1-CG 4Å; Y207-R223 HydrophobicContact CE2-CB 3.93Å; Y207-R223 HydrophobicContact CE2-CG 4.41Å; Y207-R223 HydrophobicContact CG-CB 4.28Å; Y207-L236 HydrophobicContact CD1-CD1 3.85Å; Y207-L236 HydrophobicContact CD1-CG 4.01Å; Y207-L236 HydrophobicContact CE1-CD1 4.41Å; Y207-L236 HydrophobicContact CE1-CG 4.05Å; Y207-M237 VanDerWaalsContact CD1-O 3.25Å; Y207-M237 WeakPolarHBondContact CD1-O 3.46Å; Y207-M237 VanDerWaalsContact CE1-C 3.5Å; Y207-M237 PolarHBondContact N-O 3.38Å; Y207-P238 HydrophobicContact CE1-CB 3.97Å; Y207-P238 HydrophobicContact CE1-CG 4.42Å; Y207-P238 HydrophobicContact CE2-CB 4.02Å; Y207-P238 WeakPolarHBondContact O-CA 3.47Å; Y207-F239 PolarHBondContact O-N 2.72Å; Y207-N244 PolarHBondContact N-OD1 3.42Å; Y207-N244 PolarHBondContact O-OD1 2.91Å; Y207-N244 VanDerWaalsContact O-OD1 3.06Å
208	F	96	Very high	91.4	Very high	5 Å²	5	38.7 Å²	38.7	2%	0.022	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	115.4	-178.8	-174.3	-121.8	0	0	0	112.3	G210 D211 L216 D219 N244 F245 P259 S260	F208-G210 VanDerWaalsContact C-N 3.28Å; F208-G210 VanDerWaalsContact CE1-CA 3.43Å; F208-G210 PolarHBondContact O-N 2.84Å; F208-D211 HydrophobicContact CZ-CB 4.35Å; F208-L216 HydrophobicContact CE1-CB 3.94Å; F208-L216 HydrophobicContact CZ-CB 4.14Å; F208-L216 HydrophobicContact CZ-CD1 4.35Å; F208-D219 HydrophobicContact CB-CB 4.02Å; F208-D219 PolarHBondContact O-N 3.27Å; F208-N244 HydrophobicContact CB-CB 4.05Å; F208-N244 WeakPolarHBondContact CB-O 3.16Å; F208-N244 HydrophobicContact CD2-CB 4.25Å; F208-N244 WeakPolarHBondContact CD2-O 3.28Å; F208-F245 HydrophobicContact CD2-CB 4.03Å; F208-F245 HydrophobicContact CD2-CD2 4.36Å; F208-F245 HydrophobicContact CE1-CD2 4.17Å; F208-F245 HydrophobicContact CE2-CB 3.75Å; F208-F245 AromaticContact CE2-CD2 3.93Å; F208-F245 HydrophobicContact CE2-CD2 3.93Å; F208-F245 HydrophobicContact CE2-CG 4.22Å; F208-F245 HydrophobicContact CZ-CB 4.45Å; F208-F245 AromaticContact CZ-CD2 3.81Å; F208-F245 HydrophobicContact CZ-CD2 3.81Å; F208-F245 HydrophobicContact CZ-CG 4.45Å; F208-P259 HydrophobicContact CB-CB 3.71Å; F208-P259 HydrophobicContact CD1-CB 3.86Å; F208-P259 HydrophobicContact CG-CB 3.93Å; F208-S260 PolarHBondContact N-O 3.41Å
209	G	93.2	Very high	91.3	Very high	3 Å²	3	38.9 Å²	38.9	3%	0.031	22%	0.221	C	C	.	.			trans	-82.9	5.3	179.2	0	0	0	0	0	114.9	V38 Y207 P218 F239	V38-G209 WeakPolarHBondContact CG1-O 3.27Å; Y207-G209 PolarHBondContact O-N 2.99Å; G209-P218 WeakPolarHBondContact O-CG 3.49Å; G209-F239 PolarHBondContact N-O 2.64Å
210	G	90.1	Very high	91.4	Very high	13 Å²	13	39.8 Å²	39.8	13%	0.134	23%	0.225	C	C	.	.			trans	86.9	165.8	-179.4	0	0	0	0	0	114.1	F208 L216	F208-G210 VanDerWaalsContact C-N 3.28Å; F208-G210 VanDerWaalsContact CE1-CA 3.43Å; F208-G210 PolarHBondContact O-N 2.84Å; G210-L216 CarbonylContact C-O 3.56Å; G210-L216 WeakPolarHBondContact CA-O 3.28Å
211	D	88.8	Confident	91.5	Very high	34 Å²	34	41.6 Å²	41.6	18%	0.182	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-141.3	109.9	168.8	-172.7	-64.1	0	0	0	109.8	F208 K213 L214 G215 L216	F208-D211 HydrophobicContact CZ-CB 4.35Å; D211-K213 VanDerWaalsContact C-N 3.29Å; D211-K213 PolarHBondContact O-N 2.92Å; D211-K213 WeakPolarHBondContact OD1-CA 3.25Å; D211-K213 VanDerWaalsContact OD1-CB 3.3Å; D211-K213 WeakPolarHBondContact OD1-CB 3.26Å; D211-K213 PolarHBondContact OD1-N 3.25Å; D211-L214 HydrophobicContact CB-CB 4.28Å; D211-L214 HydrophobicContact CB-CD1 4.24Å; D211-L214 PolarHBondContact O-N 3.2Å; D211-L214 PolarHBondContact OD1-N 2.93Å; D211-G215 PolarHBondContact O-N 3.32Å; D211-G215 VanDerWaalsContact O-N 3.15Å; D211-L216 CarbonylContact C-O 3.42Å; D211-L216 PolarHBondContact N-O 2.97Å; D211-L216 PolarHBondContact O-N 3.45Å
212	Q	84.7	Confident	91.9	Very high	197 Å²	197	40.3 Å²	40.3	92%	0.921	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-27.7	-176.8	-163.9	175.2	15.9	0	0	112.9	G215	Q212-G215 PolarHBondContact O-N 2.98Å
213	K	84.4	Confident	92	Very high	192 Å²	192	41.8 Å²	41.8	84%	0.835	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-32.5	179.6	-63.8	177.7	-178.5	170.6	0	111.5	D211	D211-K213 VanDerWaalsContact C-N 3.29Å; D211-K213 PolarHBondContact O-N 2.92Å; D211-K213 WeakPolarHBondContact OD1-CA 3.25Å; D211-K213 VanDerWaalsContact OD1-CB 3.3Å; D211-K213 WeakPolarHBondContact OD1-CB 3.26Å; D211-K213 PolarHBondContact OD1-N 3.25Å
214	L	82.4	Confident	92.1	Very high	12 Å²	12	44.9 Å²	44.9	6%	0.063	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-6.4	177.7	-66.8	170.2	0	0	0	113.4	D211 L216 I241 L314	D211-L214 HydrophobicContact CB-CB 4.28Å; D211-L214 HydrophobicContact CB-CD1 4.24Å; D211-L214 PolarHBondContact O-N 3.2Å; D211-L214 PolarHBondContact OD1-N 2.93Å; L214-L216 VanDerWaalsContact C-N 3.26Å; L214-L216 HydrophobicContact CB-CD1 3.95Å; L214-L216 HydrophobicContact CB-CG 3.99Å; L214-L216 HydrophobicContact CD1-CD1 4.2Å; L214-I241 HydrophobicContact CD1-CD1 3.24Å; L214-L314 HydrophobicContact CD1-CD2 3.89Å; L214-L314 HydrophobicContact CD2-CB 4.1Å; L214-L314 HydrophobicContact CD2-CD2 4.26Å; L214-L314 HydrophobicContact CD2-CG 4.1Å; L214-L314 VanDerWaalsContact CD2-O 3.29Å; L214-L314 WeakPolarHBondContact CD2-O 3.49Å
215	G	84.1	Confident	92.2	Very high	63 Å²	63	45.6 Å²	45.6	65%	0.649	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.2	24.3	-175.4	0	0	0	0	0	113	D211 Q212	D211-G215 PolarHBondContact O-N 3.32Å; D211-G215 VanDerWaalsContact O-N 3.15Å; Q212-G215 PolarHBondContact O-N 2.98Å
216	L	88.4	Confident	92.2	Very high	25 Å²	25	45.6 Å²	45.6	13%	0.131	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-97	118.2	179.6	-65.3	172.6	0	0	0	109.5	F208 G210 D211 L214 F245 L319	F208-L216 HydrophobicContact CE1-CB 3.94Å; F208-L216 HydrophobicContact CZ-CB 4.14Å; F208-L216 HydrophobicContact CZ-CD1 4.35Å; G210-L216 CarbonylContact C-O 3.56Å; G210-L216 WeakPolarHBondContact CA-O 3.28Å; D211-L216 CarbonylContact C-O 3.42Å; D211-L216 PolarHBondContact N-O 2.97Å; D211-L216 PolarHBondContact O-N 3.45Å; L214-L216 VanDerWaalsContact C-N 3.26Å; L214-L216 HydrophobicContact CB-CD1 3.95Å; L214-L216 HydrophobicContact CB-CG 3.99Å; L214-L216 HydrophobicContact CD1-CD1 4.2Å; L216-F245 HydrophobicContact CD1-CD2 4.19Å; L216-F245 HydrophobicContact CD1-CE2 3.54Å; L216-F245 HydrophobicContact CD1-CZ 3.77Å; L216-L319 HydrophobicContact CD1-CD1 4.14Å; L216-L319 HydrophobicContact CD2-CD1 4.32Å; L216-L319 HydrophobicContact CG-CD1 4.45Å
217	P	91.5	Very high	92.1	Very high	96 Å²	96	48.3 Å²	48.3	62%	0.623	26%	0.262	S	S	*	.	P	Polyproline II helix	trans	-72.8	161.1	-179.9	30.9	-35.2	0	0	0	112
218	P	92.4	Very high	92.1	Very high	46 Å²	46	54.7 Å²	54.7	30%	0.299	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-56.4	143.4	166.3	-18.8	29.8	0	0	0	111.8	G209 D220	G209-P218 WeakPolarHBondContact O-CG 3.49Å; P218-D220 PolarHBondContact O-N 3.14Å
219	D	94.8	Very high	92.1	Very high	10 Å²	10	56.6 Å²	56.6	5%	0.053	31%	0.307	C	S	.	.			trans	-84.9	65.5	177.3	-167.4	-0	0	0	0	111.6	K181 F208 E221 T222 R223	K181-D219 VanDerWaalsContact CE-OD2 3.31Å; K181-D219 WeakPolarHBondContact CE-OD2 3.17Å; K181-D219 VanDerWaalsContact NZ-CG 3.26Å; K181-D219 IonicContact NZ-OD1 3.4Å; K181-D219 PolarHBondContact NZ-OD1 2.96Å; K181-D219 IonicContact NZ-OD2 3.17Å; K181-D219 PolarHBondContact NZ-OD2 3.5Å; F208-D219 HydrophobicContact CB-CB 4.02Å; F208-D219 PolarHBondContact O-N 3.27Å; D219-E221 PolarHBondContact O-N 3.36Å; D219-T222 PolarHBondContact O-N 2.93Å; D219-T222 PolarHBondContact OD1-N 3.44Å; D219-T222 PolarHBondContact OD1-OG1 3.22Å; D219-T222 WeakPolarHBondContact OD2-CB 3.43Å; D219-T222 PolarHBondContact OD2-OG1 2.77Å; D219-R223 PolarHBondContact O-N 2.78Å
220	D	93.8	Very high	92	Very high	33 Å²	33	58.9 Å²	58.9	18%	0.176	33%	0.33	C	S	.	.	H	α-helix	trans	-60.3	-28.9	179.1	-78.5	-10.7	0	0	0	112.5	S41 P218 R223 D224	S41-D220 PolarHBondContact OG-OD2 3.2Å; P218-D220 PolarHBondContact O-N 3.14Å; D220-R223 WeakPolarHBondContact O-CB 3.45Å; D220-R223 PolarHBondContact O-N 3.09Å; D220-R223 IonicContact OD1-CZ 3.64Å; D220-R223 IonicContact OD1-NH1 2.81Å; D220-R223 PolarHBondContact OD1-NH1 2.89Å; D220-R223 IonicContact OD1-NH2 2.98Å; D220-R223 IonicContact OD2-NH1 3.34Å; D220-R223 IonicContact OD2-NH2 2.79Å; D220-D224 PolarHBondContact O-N 2.82Å
221	E	95.5	Very high	92	Very high	102 Å²	102	58.6 Å²	58.6	48%	0.477	33%	0.326	S	S	.	.	H	α-helix	trans	-61.6	-48.2	175.5	-176.2	-168.8	-177.3	0	0	110.9	K181 D219 R223 D224 I225	K181-E221 HydrophobicContact CD-CG 4.18Å; K181-E221 WeakPolarHBondContact CD-OE2 3.38Å; K181-E221 IonicContact NZ-OE2 2.73Å; K181-E221 PolarHBondContact NZ-OE2 2.89Å; D219-E221 PolarHBondContact O-N 3.36Å; E221-R223 VanDerWaalsContact C-N 3.33Å; E221-R223 PolarHBondContact O-N 3.15Å; E221-D224 PolarHBondContact O-N 3.39Å; E221-I225 HydrophobicContact CG-CD1 4Å; E221-I225 WeakPolarHBondContact O-CD1 3.19Å; E221-I225 VanDerWaalsContact O-CG1 3.24Å; E221-I225 WeakPolarHBondContact O-CG1 3.5Å; E221-I225 PolarHBondContact O-N 2.88Å
222	T	96.7	Very high	91.9	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-64.2	-39.4	177.9	-65	0	0	0	0	111.3	K181 D219 I225 W226 T261 F298	K181-T222 WeakPolarHBondContact CD-OG1 3.21Å; D219-T222 PolarHBondContact O-N 2.93Å; D219-T222 PolarHBondContact OD1-N 3.44Å; D219-T222 PolarHBondContact OD1-OG1 3.22Å; D219-T222 WeakPolarHBondContact OD2-CB 3.43Å; D219-T222 PolarHBondContact OD2-OG1 2.77Å; T222-I225 PolarHBondContact O-N 3.08Å; T222-W226 PolarHBondContact O-N 3.13Å; T222-W226 VanDerWaalsContact O-N 3.17Å; T222-T261 HydrophobicContact CG2-CG2 4.04Å; T222-F298 HydrophobicContact CG2-CE2 3.99Å; T222-F298 HydrophobicContact CG2-CZ 4.49Å; T222-F298 WeakPolarHBondContact OG1-CE2 3.33Å
223	R	94.9	Very high	91.9	Very high	31 Å²	31	55.4 Å²	55.4	12%	0.117	31%	0.314	C	S	.	.	H	α-helix	trans	-56	-54.1	173.3	179.1	-161.5	68.2	-147.9	-6.2	110.9	Y207 D219 D220 E221 I225 W226 L227 L236	Y207-R223 HydrophobicContact CD1-CB 4.31Å; Y207-R223 HydrophobicContact CD2-CB 4.09Å; Y207-R223 HydrophobicContact CE1-CB 4.14Å; Y207-R223 HydrophobicContact CE1-CG 4Å; Y207-R223 HydrophobicContact CE2-CB 3.93Å; Y207-R223 HydrophobicContact CE2-CG 4.41Å; Y207-R223 HydrophobicContact CG-CB 4.28Å; D219-R223 PolarHBondContact O-N 2.78Å; D220-R223 WeakPolarHBondContact O-CB 3.45Å; D220-R223 PolarHBondContact O-N 3.09Å; D220-R223 IonicContact OD1-CZ 3.64Å; D220-R223 IonicContact OD1-NH1 2.81Å; D220-R223 PolarHBondContact OD1-NH1 2.89Å; D220-R223 IonicContact OD1-NH2 2.98Å; D220-R223 IonicContact OD2-NH1 3.34Å; D220-R223 IonicContact OD2-NH2 2.79Å; E221-R223 VanDerWaalsContact C-N 3.33Å; E221-R223 PolarHBondContact O-N 3.15Å; R223-I225 VanDerWaalsContact C-N 3.29Å; R223-I225 PolarHBondContact O-N 3.22Å; R223-W226 PolarHBondContact O-N 3.24Å; R223-W226 VanDerWaalsContact O-N 3.13Å; R223-L227 HydrophobicContact CG-CD1 4.29Å; R223-L227 WeakPolarHBondContact O-CG 3.49Å; R223-L227 PolarHBondContact O-N 2.84Å; R223-L227 VanDerWaalsContact O-N 3.08Å; R223-L236 HydrophobicContact CB-CD2 4.38Å; R223-L236 HydrophobicContact CG-CD2 3.62Å; R223-L236 HydrophobicContact CG-CG 4.49Å
224	D	96.2	Very high	91.8	Very high	66 Å²	66	50.4 Å²	50.4	35%	0.353	29%	0.293	S	S	.	.	H	α-helix	trans	-65.6	-33.6	-175.1	-65	-11.3	0	0	0	111.7	D220 E221 N228	D220-D224 PolarHBondContact O-N 2.82Å; E221-D224 PolarHBondContact O-N 3.39Å; D224-N228 WeakPolarHBondContact O-CB 3.44Å; D224-N228 VanDerWaalsContact O-CG 3.24Å; D224-N228 PolarHBondContact O-N 3.42Å; D224-N228 PolarHBondContact O-ND2 3.27Å
225	I	98.1	Very high	92.2	Very high	19 Å²	19	50.4 Å²	50.4	10%	0.097	29%	0.293	C	S	.	.	H	α-helix	trans	-60.2	-47.4	172.6	-71.7	161.2	0	0	0	111	K181 K182 C185 E221 T222 R223 N228 L229	K181-I225 HydrophobicContact CB-CD1 3.62Å; K182-I225 HydrophobicContact CB-CD1 4.09Å; K182-I225 HydrophobicContact CB-CG1 4.39Å; C185-I225 HydrophobicContact CB-CG2 3.64Å; E221-I225 HydrophobicContact CG-CD1 4Å; E221-I225 WeakPolarHBondContact O-CD1 3.19Å; E221-I225 VanDerWaalsContact O-CG1 3.24Å; E221-I225 WeakPolarHBondContact O-CG1 3.5Å; E221-I225 PolarHBondContact O-N 2.88Å; T222-I225 PolarHBondContact O-N 3.08Å; R223-I225 VanDerWaalsContact C-N 3.29Å; R223-I225 PolarHBondContact O-N 3.22Å; I225-N228 PolarHBondContact O-N 2.91Å; I225-L229 HydrophobicContact CG2-CD1 3.9Å; I225-L229 WeakPolarHBondContact O-CG 3.22Å; I225-L229 PolarHBondContact O-N 3Å
226	W	97.6	Very high	92.6	Very high	1 Å²	1	47.9 Å²	47.9	0%	0.004	26%	0.264	C	S	.	.	H	α-helix	trans	-64.8	-40.8	-179.7	-77.5	122.3	0	0	0	113	C185 V188 W189 I205 T222 R223 N228 L229 G230 V231 L236 T261	C185-W226 HydrophobicContact CB-CD2 4.3Å; C185-W226 HydrophobicContact CB-CE3 4.49Å; C185-W226 HydrophobicContact CB-CH2 4.07Å; C185-W226 HydrophobicContact CB-CZ2 3.84Å; C185-W226 HydrophobicContact CB-CZ3 4.39Å; V188-W226 HydrophobicContact CB-CH2 4.23Å; V188-W226 HydrophobicContact CG1-CH2 3.93Å; W189-W226 HydrophobicContact CB-CZ3 3.98Å; W189-W226 HydrophobicContact CD2-CZ3 4.29Å; W189-W226 HydrophobicContact CE3-CE3 4.4Å; W189-W226 AromaticContact CE3-CZ3 3.79Å; W189-W226 HydrophobicContact CE3-CZ3 3.79Å; W189-W226 HydrophobicContact CG-CZ3 4.42Å; I205-W226 HydrophobicContact CD1-CE3 4.44Å; I205-W226 HydrophobicContact CD1-CH2 4.04Å; I205-W226 HydrophobicContact CD1-CZ2 4.18Å; I205-W226 HydrophobicContact CD1-CZ3 4.17Å; I205-W226 HydrophobicContact CG1-CD2 4.36Å; I205-W226 HydrophobicContact CG1-CE3 4.36Å; I205-W226 HydrophobicContact CG2-CD2 3.84Å; I205-W226 HydrophobicContact CG2-CG 3.81Å; I205-W226 HydrophobicContact CG2-CZ2 4.21Å; T222-W226 PolarHBondContact O-N 3.13Å; T222-W226 VanDerWaalsContact O-N 3.17Å; R223-W226 PolarHBondContact O-N 3.24Å; R223-W226 VanDerWaalsContact O-N 3.13Å; W226-N228 VanDerWaalsContact C-N 3.33Å; W226-N228 PolarHBondContact O-N 3.31Å; W226-L229 HydrophobicContact CE3-CD1 3.92Å; W226-L229 HydrophobicContact CZ3-CD1 4.15Å; W226-L229 PolarHBondContact O-N 2.79Å; W226-G230 PolarHBondContact O-N 3.44Å; W226-V231 HydrophobicContact CB-CB 4.26Å; W226-V231 HydrophobicContact CB-CG2 4.07Å; W226-V231 HydrophobicContact CD2-CG2 4.27Å; W226-V231 HydrophobicContact CE3-CG2 3.58Å; W226-V231 HydrophobicContact CZ3-CG2 4.34Å; W226-V231 WeakPolarHBondContact O-CB 3.35Å; W226-V231 WeakPolarHBondContact O-CG2 3.39Å; W226-V231 PolarHBondContact O-N 2.98Å; W226-V231 VanDerWaalsContact O-N 3.08Å; W226-L236 HydrophobicContact CB-CD1 4.1Å; W226-L236 HydrophobicContact CB-CD2 4.21Å; W226-L236 HydrophobicContact CG-CD1 4.39Å; W226-T261 HydrophobicContact CZ2-CG2 4.28Å; W226-T261 PolarHBondContact NE1-OG1 3.35Å
227	L	94.3	Very high	92.8	Very high	57 Å²	57	46.9 Å²	46.9	30%	0.298	26%	0.259	S	S	.	.	H	α-helix	trans	-59.5	-45.6	173.9	-65.8	-179.5	0	0	0	111.3	R223 L229 G230 D233 L236	R223-L227 HydrophobicContact CG-CD1 4.29Å; R223-L227 WeakPolarHBondContact O-CG 3.49Å; R223-L227 PolarHBondContact O-N 2.84Å; R223-L227 VanDerWaalsContact O-N 3.08Å; L227-L229 VanDerWaalsContact C-N 3.26Å; L227-L229 PolarHBondContact O-N 3.34Å; L227-G230 PolarHBondContact O-N 2.99Å; L227-D233 WeakPolarHBondContact CD2-OD1 3.34Å; L227-L236 HydrophobicContact CD2-CD2 3.64Å; L227-L236 HydrophobicContact CG-CD2 3.77Å
228	N	96.2	Very high	92.9	Very high	144 Å²	144	43.1 Å²	43.1	77%	0.77	24%	0.235	S	C	*	.	H	α-helix	trans	-66.3	-25.4	177.7	-73.6	-46.8	0	0	0	113.7	D224 I225 W226 G230	D224-N228 WeakPolarHBondContact O-CB 3.44Å; D224-N228 VanDerWaalsContact O-CG 3.24Å; D224-N228 PolarHBondContact O-N 3.42Å; D224-N228 PolarHBondContact O-ND2 3.27Å; I225-N228 PolarHBondContact O-N 2.91Å; W226-N228 VanDerWaalsContact C-N 3.33Å; W226-N228 PolarHBondContact O-N 3.31Å; N228-G230 VanDerWaalsContact C-N 3.27Å
229	L	96.4	Very high	92.9	Very high	45 Å²	45	43.4 Å²	43.4	24%	0.236	23%	0.231	C	C	.	.	H	α-helix	trans	-78.5	-10.3	173.7	-71.5	168.7	0	0	0	113	C185 W189 I225 W226 L227	C185-L229 HydrophobicContact CB-CD1 3.85Å; W189-L229 HydrophobicContact CB-CD1 4.25Å; W189-L229 HydrophobicContact CG-CB 4.26Å; W189-L229 PolarHBondContact NE1-O 3.1Å; I225-L229 HydrophobicContact CG2-CD1 3.9Å; I225-L229 WeakPolarHBondContact O-CG 3.22Å; I225-L229 PolarHBondContact O-N 3Å; W226-L229 HydrophobicContact CE3-CD1 3.92Å; W226-L229 HydrophobicContact CZ3-CD1 4.15Å; W226-L229 PolarHBondContact O-N 2.79Å; L227-L229 VanDerWaalsContact C-N 3.26Å; L227-L229 PolarHBondContact O-N 3.34Å
230	G	90.1	Very high	92.6	Very high	50 Å²	50	44.4 Å²	44.4	52%	0.515	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	101.2	14.7	177.4	0	0	0	0	0	114.8	W226 L227 N228 M232	W226-G230 PolarHBondContact O-N 3.44Å; L227-G230 PolarHBondContact O-N 2.99Å; N228-G230 VanDerWaalsContact C-N 3.27Å; G230-M232 PolarHBondContact O-N 2.84Å
231	V	91.4	Very high	92.3	Very high	7 Å²	7	43.4 Å²	43.4	4%	0.042	24%	0.238	C	C	.	.			trans	-69.1	127.7	170.2	-179.6	0	0	0	0	108.7	W189 I205 W226 L236	W189-V231 HydrophobicContact CE3-CG2 4.09Å; W189-V231 HydrophobicContact CH2-CG2 3.78Å; W189-V231 HydrophobicContact CZ2-CG2 4.32Å; W189-V231 HydrophobicContact CZ3-CG2 3.65Å; I205-V231 HydrophobicContact CB-CG1 4.3Å; I205-V231 HydrophobicContact CG1-CG1 3.94Å; I205-V231 HydrophobicContact CG1-CG2 3.99Å; W226-V231 HydrophobicContact CB-CB 4.26Å; W226-V231 HydrophobicContact CB-CG2 4.07Å; W226-V231 HydrophobicContact CD2-CG2 4.27Å; W226-V231 HydrophobicContact CE3-CG2 3.58Å; W226-V231 HydrophobicContact CZ3-CG2 4.34Å; W226-V231 WeakPolarHBondContact O-CB 3.35Å; W226-V231 WeakPolarHBondContact O-CG2 3.39Å; W226-V231 PolarHBondContact O-N 2.98Å; W226-V231 VanDerWaalsContact O-N 3.08Å; V231-L236 HydrophobicContact CG1-CB 4.27Å
232	M	86	Confident	91.8	Very high	73 Å²	73	45.3 Å²	45.3	36%	0.36	25%	0.247	S	C	.	.			trans	-67.2	136.9	178.1	-55	177	-163.3	0	0	110.8	G230 Q234 K235 L236	G230-M232 PolarHBondContact O-N 2.84Å; M232-Q234 HydrophobicContact CB-CG 3.98Å; M232-Q234 PolarHBondContact O-N 2.98Å; M232-Q234 VanDerWaalsContact O-N 3.1Å; M232-Q234 PolarHBondContact SD-NE2 2.74Å; M232-K235 WeakPolarHBondContact O-CA 3.35Å; M232-K235 PolarHBondContact O-N 2.7Å; M232-L236 PolarHBondContact O-N 2.86Å
233	D	84.5	Confident	91.3	Very high	92 Å²	92	47 Å²	47	49%	0.492	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-48.5	-43	178.3	-62.4	7	0	0	0	112.8	L227 K235 L236 R280	L227-D233 WeakPolarHBondContact CD2-OD1 3.34Å; D233-K235 PolarHBondContact O-N 2.8Å; D233-K235 VanDerWaalsContact O-N 3.12Å; D233-L236 PolarHBondContact O-N 3.04Å; D233-L236 VanDerWaalsContact O-N 3.08Å; D233-R280 PolarHBondContact O-NH1 2.97Å
234	Q	83	Confident	91.3	Very high	87 Å²	87	45.5 Å²	45.5	41%	0.407	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-63.3	-17.6	179.5	67.2	-158.5	-2.9	0	0	114.3	M232 R280	M232-Q234 HydrophobicContact CB-CG 3.98Å; M232-Q234 PolarHBondContact O-N 2.98Å; M232-Q234 VanDerWaalsContact O-N 3.1Å; M232-Q234 PolarHBondContact SD-NE2 2.74Å; Q234-R280 VanDerWaalsContact C-NH1 3.29Å; Q234-R280 PolarHBondContact O-NH1 2.64Å
235	K	89.4	Confident	91.1	Very high	11 Å²	11	42.6 Å²	42.6	5%	0.048	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-107.3	2.1	178.2	-63.7	-174.4	171	-82.6	0	113.3	N201 I203 Y204 I205 M232 D233 M237	N201-K235 WeakPolarHBondContact O-CE 3.47Å; N201-K235 PolarHBondContact O-NZ 2.92Å; I203-K235 WeakPolarHBondContact O-CD 3.43Å; Y204-K235 HydrophobicContact CD1-CB 3.87Å; Y204-K235 HydrophobicContact CD1-CG 3.97Å; Y204-K235 HydrophobicContact CE1-CB 4.1Å; Y204-K235 HydrophobicContact CE1-CD 4.49Å; Y204-K235 HydrophobicContact CE1-CG 3.7Å; Y204-K235 HydrophobicContact CG-CB 4.37Å; Y204-K235 PolarHBondContact OH-NZ 2.94Å; I205-K235 PolarHBondContact N-O 2.95Å; M232-K235 WeakPolarHBondContact O-CA 3.35Å; M232-K235 PolarHBondContact O-N 2.7Å; D233-K235 PolarHBondContact O-N 2.8Å; D233-K235 VanDerWaalsContact O-N 3.12Å; K235-M237 WeakPolarHBondContact O-CE 3.42Å
236	L	92.6	Very high	90.8	Very high	10 Å²	10	43.8 Å²	43.8	5%	0.052	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	126.8	174.8	-172.8	60.7	0	0	0	110.6	I205 Y207 R223 W226 L227 V231 M232 D233 R280	I205-L236 HydrophobicContact CB-CD1 3.82Å; I205-L236 HydrophobicContact CG2-CD1 3.65Å; I205-L236 CarbonylContact O-C 3.53Å; I205-L236 WeakPolarHBondContact O-CA 3.41Å; Y207-L236 HydrophobicContact CD1-CD1 3.85Å; Y207-L236 HydrophobicContact CD1-CG 4.01Å; Y207-L236 HydrophobicContact CE1-CD1 4.41Å; Y207-L236 HydrophobicContact CE1-CG 4.05Å; R223-L236 HydrophobicContact CB-CD2 4.38Å; R223-L236 HydrophobicContact CG-CD2 3.62Å; R223-L236 HydrophobicContact CG-CG 4.49Å; W226-L236 HydrophobicContact CB-CD1 4.1Å; W226-L236 HydrophobicContact CB-CD2 4.21Å; W226-L236 HydrophobicContact CG-CD1 4.39Å; L227-L236 HydrophobicContact CD2-CD2 3.64Å; L227-L236 HydrophobicContact CG-CD2 3.77Å; V231-L236 HydrophobicContact CG1-CB 4.27Å; M232-L236 PolarHBondContact O-N 2.86Å; D233-L236 PolarHBondContact O-N 3.04Å; D233-L236 VanDerWaalsContact O-N 3.08Å; L236-R280 PolarHBondContact O-NH1 2.91Å; L236-R280 PolarHBondContact O-NH2 2.83Å
237	M	93.3	Very high	90.3	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.02	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	136.8	-173	-65.9	150.9	-72	0	0	113.4	Y204 I205 T206 Y207 K235 F239 R280 V283	Y204-M237 HydrophobicContact CD1-CE 3.73Å; Y204-M237 HydrophobicContact CG-CE 4.32Å; I205-M237 WeakPolarHBondContact O-CE 3.49Å; I205-M237 PolarHBondContact O-N 2.79Å; T206-M237 CarbonylContact C-O 3.58Å; T206-M237 WeakPolarHBondContact CA-O 3.29Å; T206-M237 HydrophobicContact CG2-CB 4.49Å; T206-M237 HydrophobicContact CG2-CE 4.08Å; Y207-M237 VanDerWaalsContact CD1-O 3.25Å; Y207-M237 WeakPolarHBondContact CD1-O 3.46Å; Y207-M237 VanDerWaalsContact CE1-C 3.5Å; Y207-M237 PolarHBondContact N-O 3.38Å; K235-M237 WeakPolarHBondContact O-CE 3.42Å; M237-F239 HydrophobicContact CB-CD2 4.24Å; M237-F239 HydrophobicContact CB-CE2 3.73Å; M237-F239 HydrophobicContact SD-CE2 4.28Å; M237-R280 HydrophobicContact CG-CG 3.8Å; M237-R280 VanDerWaalsContact CG-NH2 3.3Å; M237-R280 HydrophobicContact SD-CB 4.36Å; M237-R280 HydrophobicContact SD-CG 3.39Å; M237-R280 WeakPolarHBondContact SD-CG 3.19Å; M237-V283 HydrophobicContact CE-CB 4.12Å; M237-V283 HydrophobicContact CE-CG1 3.86Å; M237-V283 HydrophobicContact CE-CG2 3.83Å; M237-V283 HydrophobicContact SD-CB 3.89Å; M237-V283 HydrophobicContact SD-CG1 4.03Å; M237-V283 HydrophobicContact SD-CG2 3.97Å
238	P	93.5	Very high	89.7	Confident	17 Å²	17	42.2 Å²	42.2	11%	0.11	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	136.3	167.4	30.2	-29.6	0	0	0	111.8	Y207	Y207-P238 HydrophobicContact CE1-CB 3.97Å; Y207-P238 HydrophobicContact CE1-CG 4.42Å; Y207-P238 HydrophobicContact CE2-CB 4.02Å; Y207-P238 WeakPolarHBondContact O-CA 3.47Å
239	F	92.7	Very high	88.6	Confident	53 Å²	53	36.4 Å²	36.4	23%	0.232	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	156.6	163.1	-66.6	-98.7	0	0	0	112.3	T206 Y207 G209 M237 N244 V283 N284	T206-F239 HydrophobicContact CG2-CD2 3.67Å; T206-F239 HydrophobicContact CG2-CE2 3.49Å; T206-F239 VanDerWaalsContact CG2-CE2 3.49Å; Y207-F239 PolarHBondContact O-N 2.72Å; G209-F239 PolarHBondContact N-O 2.64Å; M237-F239 HydrophobicContact CB-CD2 4.24Å; M237-F239 HydrophobicContact CB-CE2 3.73Å; M237-F239 HydrophobicContact SD-CE2 4.28Å; F239-N244 VanDerWaalsContact CB-OD1 3.3Å; F239-N244 WeakPolarHBondContact CB-OD1 3.47Å; F239-V283 HydrophobicContact CE2-CG1 4.05Å; F239-V283 HydrophobicContact CZ-CG1 4.17Å; F239-N284 HydrophobicContact CE1-CB 4.1Å; F239-N284 HydrophobicContact CZ-CB 4.18Å
240	G	89.1	Confident	87.4	Confident	30 Å²	30	36.2 Å²	36.2	31%	0.309	20%	0.199	S	C	.	.			trans	-79	-163.1	-179	0	0	0	0	0	114.1	E242 S243 N244	G240-E242 PolarHBondContact O-N 3.18Å; G240-E242 VanDerWaalsContact O-N 3.17Å; G240-S243 PolarHBondContact O-N 3.22Å; G240-N244 PolarHBondContact O-N 2.89Å
241	I	87.5	Confident	86.3	Confident	12 Å²	12	38.9 Å²	38.9	6%	0.062	20%	0.197	C	C	.	.	H	α-helix	trans	-58.5	-28.9	-175.1	-165	165.2	0	0	0	114.5	L214 S243 F245 E311 L314	L214-I241 HydrophobicContact CD1-CD1 3.24Å; I241-S243 PolarHBondContact O-N 3.31Å; I241-F245 HydrophobicContact CB-CB 4.23Å; I241-F245 HydrophobicContact CD1-CD1 4.06Å; I241-F245 HydrophobicContact CD1-CG 4.48Å; I241-F245 HydrophobicContact CG1-CB 3.67Å; I241-F245 HydrophobicContact CG1-CD1 3.81Å; I241-F245 HydrophobicContact CG1-CG 3.93Å; I241-E311 HydrophobicContact CD1-CG 3.99Å; I241-E311 HydrophobicContact CG1-CG 3.93Å; I241-E311 HydrophobicContact CG2-CG 3.9Å; I241-L314 HydrophobicContact CD1-CD2 4.07Å
242	E	83.9	Confident	85.1	Confident	143 Å²	143	38.8 Å²	38.8	67%	0.668	20%	0.197	S	C	*	.	H	α-helix	trans	-67.4	-25.5	-176.2	-44.3	-84.3	155.4	0	0	112.1	G240 E311	G240-E242 PolarHBondContact O-N 3.18Å; G240-E242 VanDerWaalsContact O-N 3.17Å; E242-E311 VanDerWaalsContact OE2-OE2 3.04Å
243	S	86.6	Confident	84.5	Confident	35 Å²	35	35.3 Å²	35.3	25%	0.245	18%	0.18	C	C	.	.	H	α-helix	trans	-120.4	-55.8	-177.1	-49.1	0	0	0	0	112.2	G240 I241 F245 E262 N284	G240-S243 PolarHBondContact O-N 3.22Å; I241-S243 PolarHBondContact O-N 3.31Å; S243-F245 PolarHBondContact O-N 3.48Å; S243-E262 VanDerWaalsContact O-OE1 3.11Å; S243-N284 WeakPolarHBondContact CB-ND2 3.41Å
244	N	94.3	Very high	84.2	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-99.7	26.4	-171.4	-72.1	130.7	0	0	0	114.3	T206 Y207 F208 F239 G240 S260	T206-N244 VanDerWaalsContact CB-OD1 3.32Å; T206-N244 WeakPolarHBondContact CB-OD1 3.37Å; T206-N244 PolarHBondContact OG1-ND2 3.36Å; T206-N244 PolarHBondContact OG1-OD1 3.14Å; Y207-N244 PolarHBondContact N-OD1 3.42Å; Y207-N244 PolarHBondContact O-OD1 2.91Å; Y207-N244 VanDerWaalsContact O-OD1 3.06Å; F208-N244 HydrophobicContact CB-CB 4.05Å; F208-N244 WeakPolarHBondContact CB-O 3.16Å; F208-N244 HydrophobicContact CD2-CB 4.25Å; F208-N244 WeakPolarHBondContact CD2-O 3.28Å; F239-N244 VanDerWaalsContact CB-OD1 3.3Å; F239-N244 WeakPolarHBondContact CB-OD1 3.47Å; G240-N244 PolarHBondContact O-N 2.89Å; N244-S260 VanDerWaalsContact C-OG 3.26Å; N244-S260 WeakPolarHBondContact CA-OG 3.21Å; N244-S260 WeakPolarHBondContact CB-O 3.32Å; N244-S260 PolarHBondContact ND2-O 3.19Å; N244-S260 PolarHBondContact O-N 2.85Å; N244-S260 PolarHBondContact O-OG 3.26Å
245	F	92.1	Very high	84.2	Confident	5 Å²	5	27.1 Å²	27.1	2%	0.022	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	97.3	170.1	-166.4	-93	0	0	0	110.3	F208 L216 I241 S243 R247 C257 G258	F208-F245 HydrophobicContact CD2-CB 4.03Å; F208-F245 HydrophobicContact CD2-CD2 4.36Å; F208-F245 HydrophobicContact CE1-CD2 4.17Å; F208-F245 HydrophobicContact CE2-CB 3.75Å; F208-F245 AromaticContact CE2-CD2 3.93Å; F208-F245 HydrophobicContact CE2-CD2 3.93Å; F208-F245 HydrophobicContact CE2-CG 4.22Å; F208-F245 HydrophobicContact CZ-CB 4.45Å; F208-F245 AromaticContact CZ-CD2 3.81Å; F208-F245 HydrophobicContact CZ-CD2 3.81Å; F208-F245 HydrophobicContact CZ-CG 4.45Å; L216-F245 HydrophobicContact CD1-CD2 4.19Å; L216-F245 HydrophobicContact CD1-CE2 3.54Å; L216-F245 HydrophobicContact CD1-CZ 3.77Å; I241-F245 HydrophobicContact CB-CB 4.23Å; I241-F245 HydrophobicContact CD1-CD1 4.06Å; I241-F245 HydrophobicContact CD1-CG 4.48Å; I241-F245 HydrophobicContact CG1-CB 3.67Å; I241-F245 HydrophobicContact CG1-CD1 3.81Å; I241-F245 HydrophobicContact CG1-CG 3.93Å; S243-F245 PolarHBondContact O-N 3.48Å; F245-R247 HydrophobicContact CD1-CG 4.46Å; F245-C257 HydrophobicContact CE1-CB 3.99Å; F245-C257 HydrophobicContact CZ-CB 4.34Å; F245-G258 CarbonylContact C-O 3.6Å
246	W	91.6	Very high	84.3	Confident	44 Å²	44	26.6 Å²	26.6	17%	0.167	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	141.8	-178.3	-173.6	93.5	0	0	0	110.8	M115 A248 L256 C257 G258 V297	M115-W246 HydrophobicContact CE-CH2 3.73Å; M115-W246 HydrophobicContact CE-CZ3 4.12Å; M115-W246 HydrophobicContact CG-CH2 4.19Å; M115-W246 HydrophobicContact SD-CH2 4.02Å; W246-A248 HydrophobicContact CH2-CB 3.61Å; W246-A248 HydrophobicContact CZ2-CB 4.31Å; W246-A248 HydrophobicContact CZ3-CB 3.92Å; W246-L256 HydrophobicContact CZ3-CB 4.34Å; W246-L256 WeakPolarHBondContact CZ3-O 3.2Å; W246-C257 CarbonylContact O-C 3.55Å; W246-C257 WeakPolarHBondContact O-CA 3.48Å; W246-C257 VanDerWaalsContact O-CB 3.26Å; W246-C257 WeakPolarHBondContact O-CB 3.39Å; W246-G258 PolarHBondContact N-O 3.39Å; W246-G258 PolarHBondContact O-N 3.46Å; W246-V297 HydrophobicContact CB-CB 4.28Å; W246-V297 HydrophobicContact CB-CG1 3.68Å; W246-V297 HydrophobicContact CB-CG2 3.56Å; W246-V297 HydrophobicContact CD2-CG1 4.11Å; W246-V297 HydrophobicContact CD2-CG2 4.12Å; W246-V297 HydrophobicContact CE3-CG1 3.89Å; W246-V297 HydrophobicContact CG-CB 4.5Å; W246-V297 HydrophobicContact CG-CG1 4.07Å; W246-V297 HydrophobicContact CG-CG2 3.62Å
247	R	87.3	Confident	84.3	Confident	17 Å²	17	26.1 Å²	26.1	6%	0.064	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	136	177.2	23.7	162.6	-156.7	150.9	17	110.2	R151 F245 L256 C257 I303 V309 E311	R151-R247 VanDerWaalsContact CZ-NE 3.31Å; R151-R247 VanDerWaalsContact NH1-CD 3.28Å; R151-R247 PolarHBondContact NH1-O 3.27Å; F245-R247 HydrophobicContact CD1-CG 4.46Å; R247-L256 CarbonylContact C-O 3.53Å; R247-L256 WeakPolarHBondContact CA-O 3.22Å; R247-C257 HydrophobicContact CB-CB 3.76Å; R247-I303 HydrophobicContact CB-CD1 4.28Å; R247-V309 PolarHBondContact NH1-O 3.07Å; R247-E311 IonicContact CZ-OE1 2.75Å; R247-E311 IonicContact NE-OE1 2.86Å; R247-E311 PolarHBondContact NE-OE1 3.35Å; R247-E311 IonicContact NH2-OE1 3.95Å; R247-E311 PolarHBondContact NH2-OE1 2.92Å
248	A	81.5	Confident	84.3	Confident	7 Å²	7	26 Å²	26	6%	0.058	14%	0.135	C	C	.	.			trans	-89.5	159.7	168.3	0	0	0	0	0	112	W246 L256	W246-A248 HydrophobicContact CH2-CB 3.61Å; W246-A248 HydrophobicContact CZ2-CB 4.31Å; W246-A248 HydrophobicContact CZ3-CB 3.92Å; A248-L256 PolarHBondContact N-O 3.24Å
249	N	73.9	Confident	84.4	Confident	22 Å²	22	25.9 Å²	25.9	12%	0.118	13%	0.134	C	C	.	.			trans	-68.9	148.2	166.9	164.9	-56.2	0	0	0	110.6	F251 S252 G253 G254 G255 D308	N249-F251 VanDerWaalsContact C-N 3.34Å; N249-F251 PolarHBondContact O-N 2.84Å; N249-F251 WeakPolarHBondContact OD1-CA 3.26Å; N249-F251 WeakPolarHBondContact OD1-CB 3.37Å; N249-F251 PolarHBondContact OD1-N 3.42Å; N249-S252 WeakPolarHBondContact CB-OG 3.31Å; N249-S252 PolarHBondContact OD1-N 2.89Å; N249-G253 CarbonylContact O-C 3.48Å; N249-G253 PolarHBondContact O-N 2.95Å; N249-G254 PolarHBondContact O-N 2.8Å; N249-G255 PolarHBondContact O-N 2.9Å; N249-D308 VanDerWaalsContact CA-OD1 3.3Å; N249-D308 WeakPolarHBondContact CA-OD1 3.35Å; N249-D308 WeakPolarHBondContact CB-OD2 3.46Å; N249-D308 PolarHBondContact ND2-OD2 3.38Å
250	Q	71.9	Confident	84.6	Confident	42 Å²	42	23.4 Å²	23.4	20%	0.196	12%	0.123	C	C	.	.	H	α-helix	trans	-52.7	-48.4	-178.7	-165	68	9.6	0	0	113.3	G254 I303 A305	Q250-G254 CarbonylContact O-C 3.56Å; Q250-G254 WeakPolarHBondContact O-CA 3.28Å; Q250-G254 PolarHBondContact O-N 3.38Å; Q250-G254 VanDerWaalsContact O-N 3.07Å; Q250-I303 PolarHBondContact NE2-O 3.4Å; Q250-I303 PolarHBondContact OE1-O 3.11Å; Q250-A305 WeakPolarHBondContact CG-O 3.43Å
251	F	66	Low	85	Confident	105 Å²	105	22 Å²	22	46%	0.461	11%	0.109	S	C	.	.	H	α-helix	trans	-77.5	-45.3	-175.7	-60	-87.1	0	0	0	112.1	G107 K119 N249	G107-F251 VanDerWaalsContact CA-CB 3.45Å; K119-F251 PolarHBondContact NZ-O 3.32Å; N249-F251 VanDerWaalsContact C-N 3.34Å; N249-F251 PolarHBondContact O-N 2.84Å; N249-F251 WeakPolarHBondContact OD1-CA 3.26Å; N249-F251 WeakPolarHBondContact OD1-CB 3.37Å; N249-F251 PolarHBondContact OD1-N 3.42Å
252	S	67	Low	85.5	Confident	6 Å²	6	22.1 Å²	22.1	4%	0.042	11%	0.109	C	C	.	.	H	α-helix	trans	-82.9	-28.5	-172.8	66.9	0	0	0	0	114.7	S108 N116 N249	S108-S252 VanDerWaalsContact CB-CB 3.45Å; S108-S252 VanDerWaalsContact OG-CB 3.26Å; S108-S252 WeakPolarHBondContact OG-CB 3.48Å; N116-S252 PolarHBondContact ND2-O 3.2Å; N249-S252 WeakPolarHBondContact CB-OG 3.31Å; N249-S252 PolarHBondContact OD1-N 2.89Å
253	G	73.4	Confident	86.2	Confident	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-133.9	20.1	179.4	0	0	0	0	0	113.8	N249 G255 L256	N249-G253 CarbonylContact O-C 3.48Å; N249-G253 PolarHBondContact O-N 2.95Å; G253-G255 PolarHBondContact O-N 2.87Å; G253-L256 WeakPolarHBondContact O-CB 3.42Å; G253-L256 VanDerWaalsContact O-CD1 3.29Å; G253-L256 WeakPolarHBondContact O-CD1 3.4Å; G253-L256 WeakPolarHBondContact O-CG 3.49Å; G253-L256 PolarHBondContact O-N 3.05Å
254	G	77	Confident	86.7	Confident	7 Å²	7	14 Å²	14	7%	0.072	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	14.9	173.6	0	0	0	0	0	114.5	N249 Q250 L256	N249-G254 PolarHBondContact O-N 2.8Å; Q250-G254 CarbonylContact O-C 3.56Å; Q250-G254 WeakPolarHBondContact O-CA 3.28Å; Q250-G254 PolarHBondContact O-N 3.38Å; Q250-G254 VanDerWaalsContact O-N 3.07Å; G254-L256 PolarHBondContact O-N 2.98Å
255	G	84.5	Confident	86.7	Confident	0 Å²	0	14 Å²	14	0%	0	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	12.8	-174	0	0	0	0	0	113.7	N249 G253 C257 R302 I303	N249-G255 PolarHBondContact O-N 2.9Å; G253-G255 PolarHBondContact O-N 2.87Å; G255-C257 PolarHBondContact O-N 3.28Å; G255-R302 CarbonylContact O-C 3.51Å; G255-R302 WeakPolarHBondContact O-CA 3.49Å; G255-I303 PolarHBondContact O-N 2.89Å
256	L	90.1	Very high	86.7	Confident	0 Å²	0	14 Å²	14	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	136.3	-178.2	-67	167.6	0	0	0	111	M115 F122 L123 W246 R247 A248 G253 G254 I299 R302 L322	M115-L256 HydrophobicContact CE-CB 4.26Å; M115-L256 HydrophobicContact CE-CD1 3.51Å; F122-L256 HydrophobicContact CB-CD1 3.52Å; F122-L256 HydrophobicContact CB-CD2 3.97Å; F122-L256 HydrophobicContact CB-CG 4.43Å; F122-L256 HydrophobicContact CD2-CD1 3.68Å; F122-L256 HydrophobicContact CG-CD1 3.81Å; L123-L256 HydrophobicContact CD2-CD2 3.95Å; L123-L256 HydrophobicContact CD2-CG 4.48Å; W246-L256 HydrophobicContact CZ3-CB 4.34Å; W246-L256 WeakPolarHBondContact CZ3-O 3.2Å; R247-L256 CarbonylContact C-O 3.53Å; R247-L256 WeakPolarHBondContact CA-O 3.22Å; A248-L256 PolarHBondContact N-O 3.24Å; G253-L256 WeakPolarHBondContact O-CB 3.42Å; G253-L256 VanDerWaalsContact O-CD1 3.29Å; G253-L256 WeakPolarHBondContact O-CD1 3.4Å; G253-L256 WeakPolarHBondContact O-CG 3.49Å; G253-L256 PolarHBondContact O-N 3.05Å; G254-L256 PolarHBondContact O-N 2.98Å; L256-I299 HydrophobicContact CB-CG2 4Å; L256-I299 HydrophobicContact CD2-CG2 4Å; L256-R302 HydrophobicContact CD2-CB 4.44Å; L256-L322 HydrophobicContact CD2-CD1 3.71Å; L256-L322 HydrophobicContact CD2-CD2 4.19Å
257	C	92.1	Very high	86.7	Confident	0 Å²	0	12 Å²	12	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	163	-177.8	59.4	0	0	0	0	112.8	F245 W246 R247 G255 T300 H301	F245-C257 HydrophobicContact CE1-CB 3.99Å; F245-C257 HydrophobicContact CZ-CB 4.34Å; W246-C257 CarbonylContact O-C 3.55Å; W246-C257 WeakPolarHBondContact O-CA 3.48Å; W246-C257 VanDerWaalsContact O-CB 3.26Å; W246-C257 WeakPolarHBondContact O-CB 3.39Å; R247-C257 HydrophobicContact CB-CB 3.76Å; G255-C257 PolarHBondContact O-N 3.28Å; C257-T300 PolarHBondContact O-N 3.42Å; C257-T300 VanDerWaalsContact O-N 3.09Å; C257-H301 PolarHBondContact N-O 3.32Å; C257-H301 PolarHBondContact O-N 2.99Å; C257-H301 VanDerWaalsContact O-O 3.1Å
258	G	93.8	Very high	86.7	Confident	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.6	171	176.3	0	0	0	0	0	113.6	F245 W246 F298	F245-G258 CarbonylContact C-O 3.6Å; W246-G258 PolarHBondContact N-O 3.39Å; W246-G258 PolarHBondContact O-N 3.46Å; G258-F298 WeakPolarHBondContact CA-O 3.34Å
259	P	96	Very high	87.1	Confident	16 Å²	16	14.9 Å²	14.9	10%	0.104	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	149.1	173.5	27.3	-33.7	0	0	0	110.6	F208 F298	F208-P259 HydrophobicContact CB-CB 3.71Å; F208-P259 HydrophobicContact CD1-CB 3.86Å; F208-P259 HydrophobicContact CG-CB 3.93Å; P259-F298 WeakPolarHBondContact CD-O 3.4Å; P259-F298 HydrophobicContact CG-CB 4.33Å; P259-F298 PolarHBondContact O-N 3.24Å
260	S	96.8	Very high	87.9	Confident	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	163	176.1	65.4	0	0	0	0	112.3	F208 N244 N295 C296	F208-S260 PolarHBondContact N-O 3.41Å; N244-S260 VanDerWaalsContact C-OG 3.26Å; N244-S260 WeakPolarHBondContact CA-OG 3.21Å; N244-S260 WeakPolarHBondContact CB-O 3.32Å; N244-S260 PolarHBondContact ND2-O 3.19Å; N244-S260 PolarHBondContact O-N 2.85Å; N244-S260 PolarHBondContact O-OG 3.26Å; S260-N295 WeakPolarHBondContact CB-OD1 3.38Å; S260-C296 CarbonylContact C-O 3.49Å; S260-C296 WeakPolarHBondContact CA-O 3.47Å; S260-C296 WeakPolarHBondContact CB-O 3.47Å
261	T	98.2	Very high	88.8	Confident	1 Å²	1	14.6 Å²	14.6	1%	0.006	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	134.3	170	-179.6	0	0	0	0	108.4	T206 T222 W226 C296 F298	T206-T261 WeakPolarHBondContact O-CA 3.44Å; T206-T261 WeakPolarHBondContact O-CB 3.13Å; T206-T261 PolarHBondContact O-OG1 2.9Å; T222-T261 HydrophobicContact CG2-CG2 4.04Å; W226-T261 HydrophobicContact CZ2-CG2 4.28Å; W226-T261 PolarHBondContact NE1-OG1 3.35Å; T261-C296 HydrophobicContact CG2-CB 3.72Å; T261-C296 PolarHBondContact N-O 3.46Å; T261-C296 PolarHBondContact O-N 3.01Å; T261-F298 HydrophobicContact CG2-CE2 3.8Å; T261-F298 HydrophobicContact CG2-CZ 3.77Å
262	E	97.8	Very high	89.5	Confident	14 Å²	14	11.2 Å²	11.2	7%	0.065	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	143.5	-177.4	-53.9	165.9	159.7	0	0	110.1	I205 T206 S243 H264 N284 E292 W294 N295	I205-E262 WeakPolarHBondContact CA-O 3.44Å; T206-E262 PolarHBondContact N-O 3.06Å; T206-E262 PolarHBondContact O-N 2.82Å; T206-E262 VanDerWaalsContact OG1-CB 3.31Å; T206-E262 WeakPolarHBondContact OG1-CB 3.4Å; T206-E262 PolarHBondContact OG1-N 3.1Å; T206-E262 PolarHBondContact OG1-O 3.45Å; S243-E262 VanDerWaalsContact O-OE1 3.11Å; E262-H264 IonicContact OE2-CE1 2.65Å; E262-H264 PolarHBondContact OE2-CE1 3.26Å; E262-H264 IonicContact OE2-NE2 2.85Å; E262-N284 PolarHBondContact OE2-ND2 3.34Å; E262-N284 PolarHBondContact OE2-OD1 3.36Å; E262-E292 HydrophobicContact CB-CG 4.4Å; E262-W294 CarbonylContact C-O 3.48Å; E262-W294 WeakPolarHBondContact CA-O 3.45Å; E262-N295 HydrophobicContact CG-CB 4.43Å
263	V	98	Very high	89.8	Confident	4 Å²	4	12.3 Å²	12.3	2%	0.024	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	124.5	174.3	-174.6	0	0	0	0	108.8	V188 L192 I203 I205 I265 L293 W294	V188-V263 HydrophobicContact CG1-CG2 3.86Å; L192-V263 HydrophobicContact CD1-CG1 3.73Å; L192-V263 HydrophobicContact CD1-CG2 4.37Å; I203-V263 HydrophobicContact CG2-CG1 3.71Å; I205-V263 HydrophobicContact CD1-CB 4.13Å; I205-V263 HydrophobicContact CD1-CG1 3.98Å; I205-V263 HydrophobicContact CD1-CG2 3.72Å; V263-I265 HydrophobicContact CG1-CD1 4.35Å; V263-L293 PolarHBondContact O-N 3.04Å; V263-W294 HydrophobicContact CB-CB 4.1Å; V263-W294 HydrophobicContact CG2-CB 4.12Å; V263-W294 PolarHBondContact N-O 3.28Å; V263-W294 PolarHBondContact O-N 2.93Å
264	H	97	Very high	89.6	Confident	4 Å²	4	19.8 Å²	19.8	2%	0.019	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	140.8	176.2	-59.6	82.7	0	0	0	110.8	Y204 E262 N284 V290 L291	Y204-H264 PolarHBondContact N-O 3.23Å; Y204-H264 PolarHBondContact O-N 2.76Å; E262-H264 IonicContact OE2-CE1 2.65Å; E262-H264 PolarHBondContact OE2-CE1 3.26Å; E262-H264 IonicContact OE2-NE2 2.85Å; H264-N284 PolarHBondContact CE1-OD1 3.09Å; H264-N284 PolarHBondContact NE2-OD1 3.05Å; H264-V290 HydrophobicContact CB-CG1 3.77Å; H264-L291 CarbonylContact C-O 3.59Å; H264-L291 VanDerWaalsContact CA-O 3.23Å; H264-L291 WeakPolarHBondContact CA-O 3.4Å
265	I	95	Very high	88.8	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	127.4	179.7	-56.8	-58.3	0	0	0	109.7	L198 A202 I203 V263 L270 V290 L291 L293 V339	L198-I265 HydrophobicContact CD1-CD1 4.39Å; A202-I265 WeakPolarHBondContact O-CA 3.43Å; I203-I265 HydrophobicContact CG1-CD1 4Å; V263-I265 HydrophobicContact CG1-CD1 4.35Å; I265-L270 HydrophobicContact CG2-CD1 4.22Å; I265-L270 HydrophobicContact CG2-CD2 3.85Å; I265-L270 HydrophobicContact CG2-CG 4.15Å; I265-V290 VanDerWaalsContact O-CA 3.31Å; I265-V290 WeakPolarHBondContact O-CA 3.21Å; I265-L291 PolarHBondContact N-O 2.92Å; I265-L291 PolarHBondContact O-N 3.29Å; I265-L293 HydrophobicContact CD1-CD2 4.08Å; I265-L293 HydrophobicContact CG1-CB 3.93Å; I265-L293 HydrophobicContact CG1-CD2 3.73Å; I265-L293 HydrophobicContact CG1-CG 4.44Å; I265-V339 HydrophobicContact CB-CG2 4.23Å; I265-V339 HydrophobicContact CG1-CG2 4.21Å; I265-V339 HydrophobicContact CG2-CG1 4.07Å; I265-V339 HydrophobicContact CG2-CG2 4.13Å
266	D	92.1	Very high	87.4	Confident	4 Å²	4	32.4 Å²	32.4	2%	0.021	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	110.3	168.9	176.7	8.1	0	0	0	110.3	A202 Y204 K268 A269 A279 Q289	A202-D266 PolarHBondContact O-N 3.4Å; Y204-D266 HydrophobicContact CD2-CB 4.25Å; Y204-D266 HydrophobicContact CE2-CB 3.95Å; D266-K268 VanDerWaalsContact C-N 3.26Å; D266-K268 PolarHBondContact O-N 3.24Å; D266-K268 PolarHBondContact OD1-N 3.32Å; D266-A269 HydrophobicContact CB-CB 4.21Å; D266-A269 PolarHBondContact O-N 2.84Å; D266-A269 VanDerWaalsContact O-N 3.16Å; D266-A279 HydrophobicContact CB-CB 4.22Å; D266-Q289 VanDerWaalsContact OD1-CG 3.29Å; D266-Q289 WeakPolarHBondContact OD1-CG 3.49Å; D266-Q289 PolarHBondContact OD1-NE2 3.07Å
267	F	91.1	Very high	86.3	Confident	4 Å²	4	36.7 Å²	36.7	2%	0.018	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-60.5	-32.5	-179.8	-78.7	-74	0	0	0	113.3	V63 A269 L270 Q289 L291 V339 L343 T344	V63-F267 HydrophobicContact CG1-CB 4.21Å; V63-F267 HydrophobicContact CG2-CB 4.14Å; V63-F267 HydrophobicContact CG2-CD1 3.92Å; F267-A269 PolarHBondContact O-N 2.94Å; F267-L270 HydrophobicContact CD1-CD1 3.59Å; F267-L270 HydrophobicContact CE1-CD1 4.13Å; F267-L270 HydrophobicContact CG-CD1 4.44Å; F267-L270 PolarHBondContact O-N 3.25Å; F267-Q289 WeakPolarHBondContact CD2-O 3.14Å; F267-Q289 PolarHBondContact N-O 2.79Å; F267-L291 HydrophobicContact CE2-CB 3.78Å; F267-L291 HydrophobicContact CE2-CD2 4.14Å; F267-L291 HydrophobicContact CZ-CB 4.35Å; F267-L291 HydrophobicContact CZ-CD2 3.93Å; F267-V339 HydrophobicContact CE1-CG2 4.11Å; F267-V339 HydrophobicContact CZ-CG2 4.08Å; F267-L343 WeakPolarHBondContact CE1-O 3.45Å; F267-L343 WeakPolarHBondContact CZ-O 3.25Å; F267-T344 HydrophobicContact CB-CG2 4.05Å; F267-T344 HydrophobicContact CD1-CG2 4.09Å; F267-T344 HydrophobicContact CD2-CG2 4.1Å; F267-T344 HydrophobicContact CG-CG2 3.84Å
268	K	86.9	Confident	85.3	Confident	73 Å²	73	38.6 Å²	38.6	32%	0.317	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-66.3	-30.7	179.4	-76.8	-168.6	178.9	178.5	0	111.7	D56 D266 C271 Q289	D56-K268 IonicContact OD2-NZ 3.13Å; D56-K268 PolarHBondContact OD2-NZ 3.47Å; D266-K268 VanDerWaalsContact C-N 3.26Å; D266-K268 PolarHBondContact O-N 3.24Å; D266-K268 PolarHBondContact OD1-N 3.32Å; K268-C271 PolarHBondContact O-SG 3.1Å; K268-Q289 HydrophobicContact CD-CG 4.48Å; K268-Q289 HydrophobicContact CG-CG 4.12Å
269	A	89.6	Confident	84.9	Confident	10 Å²	10	38.6 Å²	38.6	8%	0.083	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-85.5	-9.2	-177.9	0	0	0	0	0	114.1	A202 D266 F267 C271 G272	A202-A269 HydrophobicContact CB-CB 3.72Å; D266-A269 HydrophobicContact CB-CB 4.21Å; D266-A269 PolarHBondContact O-N 2.84Å; D266-A269 VanDerWaalsContact O-N 3.16Å; F267-A269 PolarHBondContact O-N 2.94Å; A269-C271 PolarHBondContact O-N 2.77Å; A269-C271 VanDerWaalsContact O-N 3.14Å; A269-G272 PolarHBondContact O-N 3.02Å; A269-G272 VanDerWaalsContact O-N 3.1Å
270	L	92.1	Very high	84.4	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-64.3	-17.6	-179.9	-72.7	177	0	0	0	114.1	V63 L65 A66 L198 A202 I265 F267 G272 V339	V63-L270 HydrophobicContact CG2-CD1 4.3Å; L65-L270 HydrophobicContact CD2-CB 3.94Å; L65-L270 HydrophobicContact CD2-CD1 3.95Å; L65-L270 HydrophobicContact CD2-CG 4.48Å; A66-L270 WeakPolarHBondContact CB-O 3.26Å; A66-L270 PolarHBondContact N-O 3.38Å; L198-L270 HydrophobicContact CD2-CD2 4.12Å; A202-L270 HydrophobicContact CB-CD2 3.99Å; I265-L270 HydrophobicContact CG2-CD1 4.22Å; I265-L270 HydrophobicContact CG2-CD2 3.85Å; I265-L270 HydrophobicContact CG2-CG 4.15Å; F267-L270 HydrophobicContact CD1-CD1 3.59Å; F267-L270 HydrophobicContact CE1-CD1 4.13Å; F267-L270 HydrophobicContact CG-CD1 4.44Å; F267-L270 PolarHBondContact O-N 3.25Å; L270-G272 PolarHBondContact O-N 2.94Å; L270-V339 HydrophobicContact CD1-CG1 4.17Å; L270-V339 HydrophobicContact CD2-CG1 4.24Å
271	C	89.6	Confident	83.8	Confident	59 Å²	59	44.5 Å²	44.5	40%	0.399	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-68.4	-12.7	175.2	68.1	0	0	0	0	113.1	S64 K268 A269 G273	S64-C271 WeakPolarHBondContact O-CA 3.24Å; S64-C271 WeakPolarHBondContact O-CB 3.22Å; S64-C271 PolarHBondContact O-N 2.77Å; K268-C271 PolarHBondContact O-SG 3.1Å; A269-C271 PolarHBondContact O-N 2.77Å; A269-C271 VanDerWaalsContact O-N 3.14Å; C271-G273 VanDerWaalsContact C-N 3.3Å
272	G	81.2	Confident	83.3	Confident	33 Å²	33	45.7 Å²	45.7	34%	0.34	26%	0.256	S	S	.	.			trans	76.7	13.5	178.4	0	0	0	0	0	114.2	A269 L270	A269-G272 PolarHBondContact O-N 3.02Å; A269-G272 VanDerWaalsContact O-N 3.1Å; L270-G272 PolarHBondContact O-N 2.94Å
273	G	74.5	Confident	82.9	Confident	29 Å²	29	45.3 Å²	45.3	30%	0.299	25%	0.254	S	S	.	.			trans	-72	151	174.5	0	0	0	0	0	112.3	N201 C271 Q275	N201-G273 PolarHBondContact ND2-O 3.49Å; C271-G273 VanDerWaalsContact C-N 3.3Å; G273-Q275 PolarHBondContact O-N 3.31Å
274	D	68.6	Low	82.3	Confident	158 Å²	158	48 Å²	48	85%	0.845	27%	0.269	S	S	*	.			trans	-70.8	6.8	179.2	-62.5	-33.1	0	0	0	114	L276	D274-L276 PolarHBondContact O-N 3.3Å
275	Q	59.3	Low	81.6	Confident	150 Å²	150	50.7 Å²	50.7	70%	0.701	29%	0.286	S	S	*	.			trans	-66	120.2	-179.2	-76.7	174.6	-17.3	0	0	110.3	G273 D277	G273-Q275 PolarHBondContact O-N 3.31Å; Q275-D277 VanDerWaalsContact C-N 3.29Å; Q275-D277 PolarHBondContact O-N 2.78Å
276	L	56.5	Low	80.6	Confident	121 Å²	121	53.6 Å²	53.6	63%	0.634	31%	0.306	S	S	*	.			trans	-92.3	24.2	-177.6	-75.5	161.8	0	0	0	112.7	D274 C278	D274-L276 PolarHBondContact O-N 3.3Å; L276-C278 PolarHBondContact O-N 3.41Å
277	D	66.8	Low	80.1	Confident	91 Å²	91	54.6 Å²	54.6	49%	0.487	31%	0.313	S	S	.	.			trans	-58	112.5	177.7	-79.9	-13.6	0	0	0	109.2	L53 Q275 A279	L53-D277 HydrophobicContact CD1-CB 3.97Å; Q275-D277 VanDerWaalsContact C-N 3.29Å; Q275-D277 PolarHBondContact O-N 2.78Å; D277-A279 PolarHBondContact O-N 2.78Å
278	C	71.4	Confident	79.6	Confident	39 Å²	39	56.1 Å²	56.1	26%	0.264	32%	0.323	S	S	.	.			trans	-81	109.1	-164.5	-178.3	0	0	0	0	110.7	L276 R280 C281	L276-C278 PolarHBondContact O-N 3.41Å; C278-R280 PolarHBondContact O-N 3.44Å; C278-R280 WeakPolarHBondContact SG-CB 3.1Å; C278-C281 PolarHBondContact O-SG 2.98Å
279	A	83.9	Confident	79.6	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.008	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-83.7	9.2	172.3	0	0	0	0	0	113.8	Y204 D266 D277 C281 L282 V283 V290	Y204-A279 HydrophobicContact CE2-CB 3.9Å; Y204-A279 PolarHBondContact OH-N 3.5Å; D266-A279 HydrophobicContact CB-CB 4.22Å; D277-A279 PolarHBondContact O-N 2.78Å; A279-C281 PolarHBondContact O-N 3.34Å; A279-L282 HydrophobicContact CB-CD1 4.24Å; A279-L282 WeakPolarHBondContact O-CA 3.32Å; A279-L282 WeakPolarHBondContact O-CB 3.29Å; A279-L282 PolarHBondContact O-N 3.26Å; A279-V283 PolarHBondContact O-N 2.87Å; A279-V290 HydrophobicContact CB-CG2 3.79Å
280	R	86.3	Confident	79.6	Confident	78 Å²	78	53.4 Å²	53.4	29%	0.294	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-55.7	-37.5	-178.5	-168	-173.3	179.3	91.6	-0.2	112.3	Y204 D233 Q234 L236 M237 C278 L282 V283	Y204-R280 HydrophobicContact CE1-CB 4.13Å; D233-R280 PolarHBondContact O-NH1 2.97Å; Q234-R280 VanDerWaalsContact C-NH1 3.29Å; Q234-R280 PolarHBondContact O-NH1 2.64Å; L236-R280 PolarHBondContact O-NH1 2.91Å; L236-R280 PolarHBondContact O-NH2 2.83Å; M237-R280 HydrophobicContact CG-CG 3.8Å; M237-R280 VanDerWaalsContact CG-NH2 3.3Å; M237-R280 HydrophobicContact SD-CB 4.36Å; M237-R280 HydrophobicContact SD-CG 3.39Å; M237-R280 WeakPolarHBondContact SD-CG 3.19Å; C278-R280 PolarHBondContact O-N 3.44Å; C278-R280 WeakPolarHBondContact SG-CB 3.1Å; R280-L282 PolarHBondContact O-N 3.11Å; R280-V283 PolarHBondContact O-N 3.17Å
281	C	84.8	Confident	79.7	Confident	62 Å²	62	54 Å²	54	42%	0.419	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-69.6	-9.9	177.5	40.4	0	0	0	0	113.6	C51 C278 A279	C51-C281 HydrophobicContact CB-CB 4.03Å; C51-C281 WeakPolarHBondContact CB-SG 3.42Å; C51-C281 WeakPolarHBondContact SG-CB 3.29Å; C51-C281 CovalentContact SG-SG 2.08Å; C51-C281 PolarHBondContact SG-SG 3.27Å; C278-C281 PolarHBondContact O-SG 2.98Å; A279-C281 PolarHBondContact O-N 3.34Å
282	L	86.2	Confident	79.9	Confident	25 Å²	25	54 Å²	54	13%	0.131	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-106.5	-11.2	-178.4	-53.5	178	0	0	0	113.1	A279 R280 T285 Q289 V290	A279-L282 HydrophobicContact CB-CD1 4.24Å; A279-L282 WeakPolarHBondContact O-CA 3.32Å; A279-L282 WeakPolarHBondContact O-CB 3.29Å; A279-L282 PolarHBondContact O-N 3.26Å; R280-L282 PolarHBondContact O-N 3.11Å; L282-T285 WeakPolarHBondContact CA-OG1 3.37Å; L282-T285 WeakPolarHBondContact O-CB 3.49Å; L282-T285 PolarHBondContact O-N 3.4Å; L282-T285 PolarHBondContact O-OG1 3.27Å; L282-Q289 HydrophobicContact CD1-CB 4.09Å; L282-Q289 HydrophobicContact CD1-CG 4.36Å; L282-V290 HydrophobicContact CB-CB 4.4Å; L282-V290 HydrophobicContact CB-CG2 3.74Å; L282-V290 HydrophobicContact CD1-CG2 4.36Å
283	V	89.3	Confident	80.7	Confident	6 Å²	6	52.5 Å²	52.5	4%	0.036	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	135.8	178.6	173.4	0	0	0	0	109.8	Y204 T206 M237 F239 A279 R280 T285 V290	Y204-V283 HydrophobicContact CD1-CG2 4.07Å; Y204-V283 HydrophobicContact CG-CG2 4.04Å; T206-V283 HydrophobicContact CG2-CG1 3.62Å; M237-V283 HydrophobicContact CE-CB 4.12Å; M237-V283 HydrophobicContact CE-CG1 3.86Å; M237-V283 HydrophobicContact CE-CG2 3.83Å; M237-V283 HydrophobicContact SD-CB 3.89Å; M237-V283 HydrophobicContact SD-CG1 4.03Å; M237-V283 HydrophobicContact SD-CG2 3.97Å; F239-V283 HydrophobicContact CE2-CG1 4.05Å; F239-V283 HydrophobicContact CZ-CG1 4.17Å; A279-V283 PolarHBondContact O-N 2.87Å; R280-V283 PolarHBondContact O-N 3.17Å; V283-T285 PolarHBondContact O-N 3.5Å; V283-V290 HydrophobicContact CG2-CG1 4.11Å
284	N	86	Confident	81.8	Confident	61 Å²	61	51.2 Å²	51.2	33%	0.326	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	30.4	-172.4	-70.4	-20.6	0	0	0	113.7	F239 S243 E262 H264	F239-N284 HydrophobicContact CE1-CB 4.1Å; F239-N284 HydrophobicContact CZ-CB 4.18Å; S243-N284 WeakPolarHBondContact CB-ND2 3.41Å; E262-N284 PolarHBondContact OE2-ND2 3.34Å; E262-N284 PolarHBondContact OE2-OD1 3.36Å; H264-N284 PolarHBondContact CE1-OD1 3.09Å; H264-N284 PolarHBondContact NE2-OD1 3.05Å
285	T	82.6	Confident	83.1	Confident	61 Å²	61	44.8 Å²	44.8	37%	0.374	24%	0.244	S	C	.	.	S	Bend	trans	-110.4	172.2	165.4	77.4	0	0	0	0	109.7	L282 V283 S287	L282-T285 WeakPolarHBondContact CA-OG1 3.37Å; L282-T285 WeakPolarHBondContact O-CB 3.49Å; L282-T285 PolarHBondContact O-N 3.4Å; L282-T285 PolarHBondContact O-OG1 3.27Å; V283-T285 PolarHBondContact O-N 3.5Å; T285-S287 PolarHBondContact O-N 2.8Å; T285-S287 WeakPolarHBondContact OG1-CB 3.33Å; T285-S287 PolarHBondContact OG1-N 3.49Å
286	S	73.4	Confident	85	Confident	61 Å²	61	37.9 Å²	37.9	43%	0.427	21%	0.212	S	C	.	.	S	Bend	trans	-78.4	10.7	173	47	0	0	0	0	114.4	Q383	S286-Q383 VanDerWaalsContact CB-NE2 3.25Å; S286-Q383 PolarHBondContact OG-NE2 3.18Å; S286-Q383 PolarHBondContact OG-OE1 3.15Å
287	S	82.4	Confident	86.9	Confident	24 Å²	24	32.3 Å²	32.3	17%	0.168	18%	0.183	C	C	.	.			trans	-62.5	131.1	-178.4	177.6	0	0	0	0	111.3	T285 Q289 V290	T285-S287 PolarHBondContact O-N 2.8Å; T285-S287 WeakPolarHBondContact OG1-CB 3.33Å; T285-S287 PolarHBondContact OG1-N 3.49Å; S287-Q289 PolarHBondContact O-N 3.39Å; S287-Q289 VanDerWaalsContact O-N 3.14Å; S287-Q289 PolarHBondContact OG-N 2.97Å; S287-V290 PolarHBondContact O-N 3.28Å
288	P	79.8	Confident	88.4	Confident	36 Å²	36	28 Å²	28	23%	0.234	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-7.9	175.3	28.7	-34	0	0	0	113.4	V59	V59-P288 HydrophobicContact CB-CG 4.27Å; V59-P288 HydrophobicContact CG2-CB 4.43Å; V59-P288 HydrophobicContact CG2-CG 3.86Å
289	Q	87	Confident	89.5	Confident	12 Å²	12	26.1 Å²	26.1	6%	0.056	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-31	179.4	-173.3	175	-33.5	0	0	112.6	V59 D266 F267 K268 L282 S287	V59-Q289 HydrophobicContact CG2-CB 3.67Å; V59-Q289 HydrophobicContact CG2-CG 4.4Å; D266-Q289 VanDerWaalsContact OD1-CG 3.29Å; D266-Q289 WeakPolarHBondContact OD1-CG 3.49Å; D266-Q289 PolarHBondContact OD1-NE2 3.07Å; F267-Q289 WeakPolarHBondContact CD2-O 3.14Å; F267-Q289 PolarHBondContact N-O 2.79Å; K268-Q289 HydrophobicContact CD-CG 4.48Å; K268-Q289 HydrophobicContact CG-CG 4.12Å; L282-Q289 HydrophobicContact CD1-CB 4.09Å; L282-Q289 HydrophobicContact CD1-CG 4.36Å; S287-Q289 PolarHBondContact O-N 3.39Å; S287-Q289 VanDerWaalsContact O-N 3.14Å; S287-Q289 PolarHBondContact OG-N 2.97Å
290	V	90.3	Very high	89.9	Confident	14 Å²	14	27.4 Å²	27.4	9%	0.085	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	127.7	-172.8	-179.6	0	0	0	0	110	H264 I265 A279 L282 V283 S287	H264-V290 HydrophobicContact CB-CG1 3.77Å; I265-V290 VanDerWaalsContact O-CA 3.31Å; I265-V290 WeakPolarHBondContact O-CA 3.21Å; A279-V290 HydrophobicContact CB-CG2 3.79Å; L282-V290 HydrophobicContact CB-CB 4.4Å; L282-V290 HydrophobicContact CB-CG2 3.74Å; L282-V290 HydrophobicContact CD1-CG2 4.36Å; V283-V290 HydrophobicContact CG2-CG1 4.11Å; S287-V290 PolarHBondContact O-N 3.28Å
291	L	92.9	Very high	90.1	Very high	12 Å²	12	25.8 Å²	25.8	6%	0.063	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	126.3	-178.7	-179.7	65.7	0	0	0	110.9	H163 H264 I265 F267 L293 R335 V339	H163-L291 HydrophobicContact CB-CD1 4.01Å; H264-L291 CarbonylContact C-O 3.59Å; H264-L291 VanDerWaalsContact CA-O 3.23Å; H264-L291 WeakPolarHBondContact CA-O 3.4Å; I265-L291 PolarHBondContact N-O 2.92Å; I265-L291 PolarHBondContact O-N 3.29Å; F267-L291 HydrophobicContact CE2-CB 3.78Å; F267-L291 HydrophobicContact CE2-CD2 4.14Å; F267-L291 HydrophobicContact CZ-CB 4.35Å; F267-L291 HydrophobicContact CZ-CD2 3.93Å; L291-L293 PolarHBondContact O-N 3.28Å; L291-R335 HydrophobicContact CD1-CG 4.16Å; L291-R335 HydrophobicContact CD2-CB 3.86Å; L291-R335 HydrophobicContact CD2-CG 4.1Å; L291-R335 HydrophobicContact CG-CG 4.43Å; L291-V339 HydrophobicContact CD2-CG2 4.1Å
292	E	94.8	Very high	90.3	Very high	59 Å²	59	26.1 Å²	26.1	28%	0.276	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	112.7	164.9	-177.3	-132.6	157	0	0	108.9	E262 R335	E262-E292 HydrophobicContact CB-CG 4.4Å; E292-R335 WeakPolarHBondContact O-CD 3.45Å; E292-R335 PolarHBondContact O-NH1 3.06Å; E292-R335 IonicContact OE2-NH1 2.68Å; E292-R335 PolarHBondContact OE2-NH1 2.78Å
293	L	97.1	Very high	90.3	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.01	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-47.1	-175.5	177.3	61.6	0	0	0	112.1	L192 V263 I265 L291 M331 G332 R335 L336 V339	L192-L293 HydrophobicContact CD2-CD2 3.97Å; V263-L293 PolarHBondContact O-N 3.04Å; I265-L293 HydrophobicContact CD1-CD2 4.08Å; I265-L293 HydrophobicContact CG1-CB 3.93Å; I265-L293 HydrophobicContact CG1-CD2 3.73Å; I265-L293 HydrophobicContact CG1-CG 4.44Å; L291-L293 PolarHBondContact O-N 3.28Å; L293-M331 HydrophobicContact CD1-CG 4.02Å; L293-M331 HydrophobicContact CD1-SD 4.19Å; L293-M331 HydrophobicContact CD2-SD 4.31Å; L293-M331 HydrophobicContact CG-CG 4.14Å; L293-M331 HydrophobicContact CG-SD 4.03Å; L293-M331 WeakPolarHBondContact O-CA 3.44Å; L293-M331 WeakPolarHBondContact O-CG 3.3Å; L293-G332 PolarHBondContact O-N 2.96Å; L293-R335 HydrophobicContact CD1-CB 4.1Å; L293-L336 HydrophobicContact CD1-CB 4Å; L293-L336 HydrophobicContact CD1-CD1 4.26Å; L293-L336 HydrophobicContact CD2-CD1 4.25Å; L293-V339 HydrophobicContact CD1-CG2 4.49Å
294	W	97.9	Very high	89.9	Confident	2 Å²	2	28.9 Å²	28.9	1%	0.008	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	127.6	-169.4	-159.3	-17.3	0	0	0	111.1	F83 F87 V188 F191 L192 E262 V263 T329 G330 M331	F83-W294 HydrophobicContact CD2-CH2 4.4Å; F83-W294 AromaticContact CE2-CH2 3.68Å; F83-W294 HydrophobicContact CE2-CH2 3.68Å; F83-W294 AromaticContact CE2-CZ2 3.61Å; F83-W294 HydrophobicContact CE2-CZ2 3.61Å; F83-W294 HydrophobicContact CZ-CZ2 4.18Å; F87-W294 AromaticContact CE2-CH2 3.89Å; F87-W294 HydrophobicContact CE2-CH2 3.89Å; F87-W294 HydrophobicContact CE2-CZ2 4.05Å; F87-W294 AromaticContact CZ-CH2 3.86Å; F87-W294 HydrophobicContact CZ-CH2 3.86Å; F87-W294 AromaticContact CZ-CZ2 3.87Å; F87-W294 HydrophobicContact CZ-CZ2 3.87Å; V188-W294 HydrophobicContact CB-CZ3 4.36Å; V188-W294 HydrophobicContact CG1-CD2 4.17Å; V188-W294 HydrophobicContact CG1-CE3 3.82Å; V188-W294 HydrophobicContact CG1-CZ3 4.07Å; V188-W294 HydrophobicContact CG2-CD2 4.24Å; V188-W294 HydrophobicContact CG2-CE3 4.38Å; V188-W294 HydrophobicContact CG2-CH2 4.08Å; V188-W294 HydrophobicContact CG2-CZ2 3.93Å; V188-W294 HydrophobicContact CG2-CZ3 4.29Å; F191-W294 HydrophobicContact CB-CH2 4.35Å; F191-W294 HydrophobicContact CB-CZ3 4.16Å; F191-W294 HydrophobicContact CD1-CH2 4.19Å; F191-W294 AromaticContact CD1-CZ3 3.68Å; F191-W294 HydrophobicContact CD1-CZ3 3.68Å; F191-W294 HydrophobicContact CG-CH2 4.41Å; F191-W294 HydrophobicContact CG-CZ3 4.22Å; L192-W294 HydrophobicContact CD1-CE3 4.45Å; L192-W294 HydrophobicContact CD2-CE3 4.33Å; L192-W294 HydrophobicContact CG-CE3 4.41Å; L192-W294 HydrophobicContact CG-CZ3 4.44Å; E262-W294 CarbonylContact C-O 3.48Å; E262-W294 WeakPolarHBondContact CA-O 3.45Å; V263-W294 HydrophobicContact CB-CB 4.1Å; V263-W294 HydrophobicContact CG2-CB 4.12Å; V263-W294 PolarHBondContact N-O 3.28Å; V263-W294 PolarHBondContact O-N 2.93Å; W294-T329 VanDerWaalsContact NE1-CB 3.33Å; W294-T329 PolarHBondContact NE1-OG1 2.77Å; W294-G330 VanDerWaalsContact CD1-C 3.48Å; W294-G330 VanDerWaalsContact CD1-O 3.31Å; W294-M331 HydrophobicContact CB-CB 4.13Å; W294-M331 HydrophobicContact CB-CG 4.26Å; W294-M331 HydrophobicContact CB-SD 4.45Å; W294-M331 HydrophobicContact CD2-CB 3.81Å; W294-M331 HydrophobicContact CD2-CE 4.39Å; W294-M331 HydrophobicContact CD2-CG 4.28Å; W294-M331 HydrophobicContact CD2-SD 3.89Å; W294-M331 HydrophobicContact CE3-CB 4.43Å; W294-M331 HydrophobicContact CE3-CE 4.03Å; W294-M331 HydrophobicContact CE3-CG 4.5Å; W294-M331 HydrophobicContact CE3-SD 3.52Å; W294-M331 VanDerWaalsContact CE3-SD 3.52Å; W294-M331 HydrophobicContact CG-CB 3.66Å; W294-M331 HydrophobicContact CG-CG 4.21Å; W294-M331 HydrophobicContact CG-SD 4.33Å; W294-M331 HydrophobicContact CH2-CE 4.3Å; W294-M331 HydrophobicContact CZ3-CE 4Å; W294-M331 HydrophobicContact CZ3-SD 4.05Å
295	N	97	Very high	89.2	Confident	24 Å²	24	26.8 Å²	26.8	13%	0.128	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	132.7	172	-163.9	-19.6	0	0	0	110.6	S260 E262 T329 G330	S260-N295 WeakPolarHBondContact CB-OD1 3.38Å; E262-N295 HydrophobicContact CG-CB 4.43Å; N295-T329 CarbonylContact O-C 3.54Å; N295-T329 WeakPolarHBondContact O-CA 3.48Å; N295-G330 PolarHBondContact N-O 2.88Å; N295-G330 PolarHBondContact O-N 3.49Å
296	C	98	Very high	87.9	Confident	4 Å²	4	28.7 Å²	28.7	3%	0.027	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	109.8	174.8	-175.3	0	0	0	0	109	S260 T261 F298 T329	S260-C296 CarbonylContact C-O 3.49Å; S260-C296 WeakPolarHBondContact CA-O 3.47Å; S260-C296 WeakPolarHBondContact CB-O 3.47Å; T261-C296 HydrophobicContact CG2-CB 3.72Å; T261-C296 PolarHBondContact N-O 3.46Å; T261-C296 PolarHBondContact O-N 3.01Å; C296-F298 WeakPolarHBondContact SG-CE1 3.5Å; C296-T329 HydrophobicContact CB-CG2 4.32Å
297	V	97.4	Very high	87.3	Confident	4 Å²	4	31.6 Å²	31.6	2%	0.024	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	129.9	-175.8	-177.9	0	0	0	0	110	W246 I299 D328	W246-V297 HydrophobicContact CB-CB 4.28Å; W246-V297 HydrophobicContact CB-CG1 3.68Å; W246-V297 HydrophobicContact CB-CG2 3.56Å; W246-V297 HydrophobicContact CD2-CG1 4.11Å; W246-V297 HydrophobicContact CD2-CG2 4.12Å; W246-V297 HydrophobicContact CE3-CG1 3.89Å; W246-V297 HydrophobicContact CG-CB 4.5Å; W246-V297 HydrophobicContact CG-CG1 4.07Å; W246-V297 HydrophobicContact CG-CG2 3.62Å; V297-I299 HydrophobicContact CG1-CG1 3.86Å; V297-D328 HydrophobicContact CB-CB 4.31Å; V297-D328 WeakPolarHBondContact CB-O 3.45Å; V297-D328 PolarHBondContact N-O 3.13Å; V297-D328 PolarHBondContact O-N 3.47Å
298	F	97.2	Very high	86.3	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	86.6	175.7	-51.2	-58.5	0	0	0	109.5	Y180 K181 A184 T222 G258 P259 T261 C296 T300 F326 V327	Y180-F298 HydrophobicContact CE2-CB 3.89Å; Y180-F298 HydrophobicContact CE2-CD1 4.17Å; Y180-F298 HydrophobicContact CE2-CG 4.39Å; Y180-F298 WeakPolarHBondContact OH-CB 3.5Å; K181-F298 HydrophobicContact CB-CE1 4.1Å; K181-F298 HydrophobicContact CB-CZ 4.21Å; K181-F298 HydrophobicContact CD-CD2 4.41Å; K181-F298 HydrophobicContact CG-CD1 3.59Å; K181-F298 HydrophobicContact CG-CD2 3.91Å; K181-F298 HydrophobicContact CG-CE1 3.55Å; K181-F298 HydrophobicContact CG-CE2 3.86Å; K181-F298 HydrophobicContact CG-CG 3.78Å; K181-F298 HydrophobicContact CG-CZ 3.69Å; A184-F298 HydrophobicContact CB-CE1 4.26Å; T222-F298 HydrophobicContact CG2-CE2 3.99Å; T222-F298 HydrophobicContact CG2-CZ 4.49Å; T222-F298 WeakPolarHBondContact OG1-CE2 3.33Å; G258-F298 WeakPolarHBondContact CA-O 3.34Å; P259-F298 WeakPolarHBondContact CD-O 3.4Å; P259-F298 HydrophobicContact CG-CB 4.33Å; P259-F298 PolarHBondContact O-N 3.24Å; T261-F298 HydrophobicContact CG2-CE2 3.8Å; T261-F298 HydrophobicContact CG2-CZ 3.77Å; C296-F298 WeakPolarHBondContact SG-CE1 3.5Å; F298-T300 PolarHBondContact O-N 3.15Å; F298-F326 WeakPolarHBondContact CA-O 3.43Å; F298-V327 HydrophobicContact CD1-CG2 4.47Å
299	I	95	Very high	85.6	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	121.5	-174.1	-49.8	173.1	0	0	0	109.1	M115 F122 L256 V297 L322 F326 D328	M115-I299 HydrophobicContact CE-CD1 3.89Å; F122-I299 HydrophobicContact CD1-CD1 4.2Å; F122-I299 HydrophobicContact CE1-CD1 3.93Å; F122-I299 HydrophobicContact CE2-CD1 4.47Å; F122-I299 HydrophobicContact CZ-CD1 4.07Å; L256-I299 HydrophobicContact CB-CG2 4Å; L256-I299 HydrophobicContact CD2-CG2 4Å; V297-I299 HydrophobicContact CG1-CG1 3.86Å; I299-L322 HydrophobicContact CG2-CD1 3.63Å; I299-F326 HydrophobicContact CB-CB 4.16Å; I299-F326 PolarHBondContact N-O 3.3Å; I299-F326 PolarHBondContact O-N 3.28Å; I299-F326 VanDerWaalsContact O-N 3.15Å; I299-D328 HydrophobicContact CD1-CB 3.79Å; I299-D328 HydrophobicContact CG1-CB 4.27Å
300	T	92	Very high	84.7	Confident	28 Å²	28	36.1 Å²	36.1	17%	0.172	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	-24.9	-173.6	45.4	0	0	0	0	112.8	Y180 C257 F298 L322	Y180-T300 VanDerWaalsContact OH-CG2 3.28Å; Y180-T300 WeakPolarHBondContact OH-CG2 3.29Å; C257-T300 PolarHBondContact O-N 3.42Å; C257-T300 VanDerWaalsContact O-N 3.09Å; F298-T300 PolarHBondContact O-N 3.15Å; T300-L322 PolarHBondContact O-N 3.37Å
301	H	91.9	Very high	83.5	Confident	44 Å²	44	37.2 Å²	37.2	20%	0.204	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	166.9	-174.7	-61.6	79.6	0	0	0	111.2	C257 L319 Q320	C257-H301 PolarHBondContact N-O 3.32Å; C257-H301 PolarHBondContact O-N 2.99Å; C257-H301 VanDerWaalsContact O-O 3.1Å; H301-L319 HydrophobicContact CB-CD2 4.38Å; H301-Q320 CarbonylContact C-O 3.46Å; H301-Q320 WeakPolarHBondContact CA-O 3.49Å; H301-Q320 WeakPolarHBondContact CB-O 3.34Å
302	R	89	Confident	82.3	Confident	69 Å²	69	45.1 Å²	45.1	26%	0.26	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	148.9	159	71.7	171.6	-162.2	171.9	5	110.8	G255 L256 Q320 L322	G255-R302 CarbonylContact O-C 3.51Å; G255-R302 WeakPolarHBondContact O-CA 3.49Å; L256-R302 HydrophobicContact CD2-CB 4.44Å; R302-Q320 HydrophobicContact CG-CB 3.88Å; R302-Q320 PolarHBondContact N-O 3.04Å; R302-Q320 PolarHBondContact O-N 3.4Å; R302-L322 HydrophobicContact CB-CD2 4.37Å; R302-L322 HydrophobicContact CG-CD2 4.41Å
303	I	86.3	Confident	81.2	Confident	8 Å²	8	48.3 Å²	48.3	4%	0.041	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	133.9	172.2	-59	171.6	0	0	0	108.2	R247 Q250 G255 A305 L314 L318 L319	R247-I303 HydrophobicContact CB-CD1 4.28Å; Q250-I303 PolarHBondContact NE2-O 3.4Å; Q250-I303 PolarHBondContact OE1-O 3.11Å; G255-I303 PolarHBondContact O-N 2.89Å; I303-A305 HydrophobicContact CG2-CB 4.1Å; I303-L314 HydrophobicContact CD1-CD1 3.77Å; I303-L314 HydrophobicContact CG1-CD1 4.1Å; I303-L314 HydrophobicContact CG2-CD1 4.25Å; I303-L318 CarbonylContact C-O 3.57Å; I303-L318 VanDerWaalsContact CA-O 3.28Å; I303-L318 WeakPolarHBondContact CA-O 3.39Å; I303-L318 HydrophobicContact CG2-CB 4.47Å; I303-L319 HydrophobicContact CG1-CD2 4.14Å
304	I	81.2	Confident	80.1	Confident	82 Å²	82	48.8 Å²	48.8	42%	0.421	25%	0.246	S	C	.	.			trans	-110.4	73.6	174.1	-21.6	172.6	0	0	0	109.5	L318 Q320	I304-L318 PolarHBondContact N-O 3.18Å; I304-Q320 HydrophobicContact CD1-CB 3.58Å; I304-Q320 HydrophobicContact CD1-CG 4.08Å; I304-Q320 HydrophobicContact CG1-CB 3.62Å
305	A	70.3	Confident	79.3	Confident	16 Å²	16	54.5 Å²	54.5	13%	0.132	27%	0.271	C	S	.	.			trans	-134.4	140.2	173.8	0	0	0	0	0	109.9	Q250 I303 N307 V309 L318	Q250-A305 WeakPolarHBondContact CG-O 3.43Å; I303-A305 HydrophobicContact CG2-CB 4.1Å; A305-N307 PolarHBondContact O-N 3.24Å; A305-V309 HydrophobicContact CB-CG2 3.41Å; A305-V309 VanDerWaalsContact CB-CG2 3.41Å; A305-L318 HydrophobicContact CB-CD2 4.49Å
306	D	55.6	Low	78.5	Confident	101 Å²	101	56.8 Å²	56.8	54%	0.54	29%	0.287	S	S	.	.	S	Bend	trans	-66.4	-18.7	178	-78.8	-21.6	0	0	0	112	R643	D306-R643 IonicContact OD1-NH2 3.18Å
307	N	59.7	Low	77.7	Confident	123 Å²	123	62.4 Å²	62.4	66%	0.658	32%	0.317	S	S	*	.	S	Bend	trans	-122.3	153.8	-179.1	-63.1	-19.4	0	0	0	111.7	A305 V309	A305-N307 PolarHBondContact O-N 3.24Å; N307-V309 VanDerWaalsContact O-CG2 3.25Å; N307-V309 WeakPolarHBondContact O-CG2 3.41Å; N307-V309 PolarHBondContact O-N 3.4Å
308	D	61.8	Low	77.1	Confident	68 Å²	68	63.9 Å²	63.9	36%	0.364	33%	0.325	S	S	.	.			trans	-69.1	102	176.9	-143.5	16	0	0	0	110	N249	N249-D308 VanDerWaalsContact CA-OD1 3.3Å; N249-D308 WeakPolarHBondContact CA-OD1 3.35Å; N249-D308 WeakPolarHBondContact CB-OD2 3.46Å; N249-D308 PolarHBondContact ND2-OD2 3.38Å
309	V	66	Low	76.6	Confident	25 Å²	25	64.9 Å²	64.9	15%	0.152	33%	0.33	C	S	.	.			trans	-82.5	127.6	-172.5	-167.6	0	0	0	0	109.8	R247 A305 N307 H313 L314 L318	R247-V309 PolarHBondContact NH1-O 3.07Å; A305-V309 HydrophobicContact CB-CG2 3.41Å; A305-V309 VanDerWaalsContact CB-CG2 3.41Å; N307-V309 VanDerWaalsContact O-CG2 3.25Å; N307-V309 WeakPolarHBondContact O-CG2 3.41Å; N307-V309 PolarHBondContact O-N 3.4Å; V309-H313 VanDerWaalsContact CG1-C 3.43Å; V309-H313 HydrophobicContact CG1-CB 3.54Å; V309-H313 WeakPolarHBondContact CG1-O 3.26Å; V309-L314 HydrophobicContact CB-CD1 4.47Å; V309-L318 HydrophobicContact CG2-CD1 4.31Å
310	T	68.4	Low	76.3	Confident	73 Å²	73	68.4 Å²	68.4	45%	0.448	35%	0.346	S	S	.	.			trans	-70.9	158.1	173.5	65	0	0	0	0	111.1	K312 H313 L314	T310-K312 VanDerWaalsContact C-N 3.26Å; T310-K312 PolarHBondContact O-N 2.96Å; T310-K312 VanDerWaalsContact O-N 3.15Å; T310-H313 PolarHBondContact O-N 3.15Å; T310-H313 PolarHBondContact OG1-ND1 3.46Å; T310-L314 PolarHBondContact O-N 2.97Å; T310-L314 VanDerWaalsContact O-N 3.15Å
311	E	64.9	Low	76.2	Confident	37 Å²	37	71.4 Å²	71.4	17%	0.173	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-50.4	-42.6	178.8	-100.2	142.6	-130.4	0	0	113.5	R151 I241 E242 R247 H313 L314	R151-E311 IonicContact NH2-OE1 3.54Å; I241-E311 HydrophobicContact CD1-CG 3.99Å; I241-E311 HydrophobicContact CG1-CG 3.93Å; I241-E311 HydrophobicContact CG2-CG 3.9Å; E242-E311 VanDerWaalsContact OE2-OE2 3.04Å; R247-E311 IonicContact CZ-OE1 2.75Å; R247-E311 IonicContact NE-OE1 2.86Å; R247-E311 PolarHBondContact NE-OE1 3.35Å; R247-E311 IonicContact NH2-OE1 3.95Å; R247-E311 PolarHBondContact NH2-OE1 2.92Å; E311-H313 PolarHBondContact O-N 2.82Å; E311-L314 PolarHBondContact O-N 2.75Å
312	K	68.1	Low	76.2	Confident	178 Å²	178	70.9 Å²	70.9	77%	0.774	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-60.7	-19.3	178	-68.7	-176.4	178.7	177.5	0	114.9	T310	T310-K312 VanDerWaalsContact C-N 3.26Å; T310-K312 PolarHBondContact O-N 2.96Å; T310-K312 VanDerWaalsContact O-N 3.15Å
313	H	71.3	Confident	76	Confident	127 Å²	127	73.2 Å²	73.2	59%	0.588	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-114.8	-3	-175.7	-61.4	107.7	0	0	0	112.5	V309 T310 E311	V309-H313 VanDerWaalsContact CG1-C 3.43Å; V309-H313 HydrophobicContact CG1-CB 3.54Å; V309-H313 WeakPolarHBondContact CG1-O 3.26Å; T310-H313 PolarHBondContact O-N 3.15Å; T310-H313 PolarHBondContact OG1-ND1 3.46Å; E311-H313 PolarHBondContact O-N 2.82Å
314	L	74.4	Confident	76	Confident	12 Å²	12	78.6 Å²	78.6	6%	0.063	41%	0.41	C	S	.	.			trans	-66.9	137.2	175.9	-160.5	72.6	0	0	0	108.5	L214 I241 I303 V309 T310 E311 L319	L214-L314 HydrophobicContact CD1-CD2 3.89Å; L214-L314 HydrophobicContact CD2-CB 4.1Å; L214-L314 HydrophobicContact CD2-CD2 4.26Å; L214-L314 HydrophobicContact CD2-CG 4.1Å; L214-L314 VanDerWaalsContact CD2-O 3.29Å; L214-L314 WeakPolarHBondContact CD2-O 3.49Å; I241-L314 HydrophobicContact CD1-CD2 4.07Å; I303-L314 HydrophobicContact CD1-CD1 3.77Å; I303-L314 HydrophobicContact CG1-CD1 4.1Å; I303-L314 HydrophobicContact CG2-CD1 4.25Å; V309-L314 HydrophobicContact CB-CD1 4.47Å; T310-L314 PolarHBondContact O-N 2.97Å; T310-L314 VanDerWaalsContact O-N 3.15Å; E311-L314 PolarHBondContact O-N 2.75Å; L314-L319 HydrophobicContact CD2-CD2 4.46Å
315	K	80.4	Confident	76.5	Confident	122 Å²	122	77.3 Å²	77.3	53%	0.53	41%	0.408	S	S	.	.			trans	-132	154.2	-179.6	-63.8	-175.5	-177.2	178.3	0	110.3	D317 L318	K315-D317 VanDerWaalsContact C-N 3.26Å; K315-D317 WeakPolarHBondContact CB-OD1 3.33Å; K315-D317 PolarHBondContact O-N 3.16Å; K315-L318 HydrophobicContact CB-CD1 4.44Å; K315-L318 HydrophobicContact CB-CG 4.44Å; K315-L318 WeakPolarHBondContact O-CB 3.44Å; K315-L318 PolarHBondContact O-N 3.13Å; K315-L318 VanDerWaalsContact O-N 3.08Å
316	P	79	Confident	77.7	Confident	71 Å²	71	76.9 Å²	76.9	46%	0.461	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-56.6	-37.9	-177.4	-21.7	29.2	0	0	0	113.8	L318 L319	P316-L318 PolarHBondContact O-N 3.4Å; P316-L319 PolarHBondContact O-N 3.16Å; P316-L319 VanDerWaalsContact O-N 3.08Å
317	D	82.1	Confident	79.7	Confident	122 Å²	122	72 Å²	72	65%	0.652	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-66.8	-14.8	-179.2	58.4	-44.1	0	0	0	113.8	K315	K315-D317 VanDerWaalsContact C-N 3.26Å; K315-D317 WeakPolarHBondContact CB-OD1 3.33Å; K315-D317 PolarHBondContact O-N 3.16Å
318	L	84.8	Confident	81.5	Confident	36 Å²	36	66.6 Å²	66.6	19%	0.188	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-88	-9.1	175.1	-58.8	177.8	0	0	0	113	I303 I304 A305 V309 K315 P316	I303-L318 CarbonylContact C-O 3.57Å; I303-L318 VanDerWaalsContact CA-O 3.28Å; I303-L318 WeakPolarHBondContact CA-O 3.39Å; I303-L318 HydrophobicContact CG2-CB 4.47Å; I304-L318 PolarHBondContact N-O 3.18Å; A305-L318 HydrophobicContact CB-CD2 4.49Å; V309-L318 HydrophobicContact CG2-CD1 4.31Å; K315-L318 HydrophobicContact CB-CD1 4.44Å; K315-L318 HydrophobicContact CB-CG 4.44Å; K315-L318 WeakPolarHBondContact O-CB 3.44Å; K315-L318 PolarHBondContact O-N 3.13Å; K315-L318 VanDerWaalsContact O-N 3.08Å; P316-L318 PolarHBondContact O-N 3.4Å
319	L	87.1	Confident	83.2	Confident	21 Å²	21	63.4 Å²	63.4	11%	0.11	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	108.4	-178.3	-66.4	173.1	0	0	0	110.8	L216 H301 I303 L314 P316	L216-L319 HydrophobicContact CD1-CD1 4.14Å; L216-L319 HydrophobicContact CD2-CD1 4.32Å; L216-L319 HydrophobicContact CG-CD1 4.45Å; H301-L319 HydrophobicContact CB-CD2 4.38Å; I303-L319 HydrophobicContact CG1-CD2 4.14Å; L314-L319 HydrophobicContact CD2-CD2 4.46Å; P316-L319 PolarHBondContact O-N 3.16Å; P316-L319 VanDerWaalsContact O-N 3.08Å
320	Q	88.1	Confident	84.7	Confident	74 Å²	74	63 Å²	63	35%	0.346	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	122.2	173.6	-169.3	172.2	10.7	0	0	110.9	H301 R302 I304	H301-Q320 CarbonylContact C-O 3.46Å; H301-Q320 WeakPolarHBondContact CA-O 3.49Å; H301-Q320 WeakPolarHBondContact CB-O 3.34Å; R302-Q320 HydrophobicContact CG-CB 3.88Å; R302-Q320 PolarHBondContact N-O 3.04Å; R302-Q320 PolarHBondContact O-N 3.4Å; I304-Q320 HydrophobicContact CD1-CB 3.58Å; I304-Q320 HydrophobicContact CD1-CG 4.08Å; I304-Q320 HydrophobicContact CG1-CB 3.62Å
321	P	90.3	Very high	86.1	Confident	91 Å²	91	59.5 Å²	59.5	59%	0.591	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.5	143.8	173.9	26	-32	0	0	0	111.5
322	L	90.6	Very high	87.6	Confident	33 Å²	33	58.2 Å²	58.2	17%	0.173	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	159.7	174.1	-62.6	173	0	0	0	111.1	L256 I299 T300 R302 K324 F326	L256-L322 HydrophobicContact CD2-CD1 3.71Å; L256-L322 HydrophobicContact CD2-CD2 4.19Å; I299-L322 HydrophobicContact CG2-CD1 3.63Å; T300-L322 PolarHBondContact O-N 3.37Å; R302-L322 HydrophobicContact CB-CD2 4.37Å; R302-L322 HydrophobicContact CG-CD2 4.41Å; L322-K324 VanDerWaalsContact C-N 3.32Å; L322-K324 PolarHBondContact O-N 2.94Å; L322-F326 HydrophobicContact CB-CE2 4.24Å; L322-F326 HydrophobicContact CD1-CD2 3.97Å; L322-F326 HydrophobicContact CD1-CE2 3.9Å
323	T	85.4	Confident	89	Confident	117 Å²	117	49.8 Å²	49.8	72%	0.718	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	-23	-178.7	51	0	0	0	0	113.8
324	K	87.7	Confident	90.2	Very high	121 Å²	121	43.9 Å²	43.9	53%	0.526	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	156.4	176.8	-67.5	-176.2	178.1	-177.8	0	109.1	L322 F326	L322-K324 VanDerWaalsContact C-N 3.32Å; L322-K324 PolarHBondContact O-N 2.94Å; K324-F326 HydrophobicContact CB-CE1 4.28Å; K324-F326 HydrophobicContact CB-CE2 4.07Å; K324-F326 HydrophobicContact CB-CZ 3.81Å; K324-F326 VanDerWaalsContact O-CD2 3.26Å; K324-F326 WeakPolarHBondContact O-CD2 3.44Å; K324-F326 WeakPolarHBondContact O-CE2 3.43Å
325	S	89.7	Confident	91.2	Very high	56 Å²	56	44.9 Å²	44.9	39%	0.392	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	138.9	168.6	-50	0	0	0	0	109.7	G177 Y180	G177-S325 WeakPolarHBondContact CA-O 3.21Å; Y180-S325 VanDerWaalsContact CE2-CB 3.45Å
326	F	95.8	Very high	92	Very high	6 Å²	6	39.1 Å²	39.1	3%	0.026	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	154.9	-177.8	-53.1	-91.8	0	0	0	111.4	F122 S175 F176 F298 I299 L322 K324	F122-F326 HydrophobicContact CD1-CB 3.84Å; F122-F326 AromaticContact CD1-CD1 3.49Å; F122-F326 HydrophobicContact CD1-CD1 3.49Å; F122-F326 VanDerWaalsContact CD1-CD1 3.49Å; F122-F326 AromaticContact CD1-CD2 4Å; F122-F326 HydrophobicContact CD1-CD2 4Å; F122-F326 AromaticContact CD1-CE1 3.98Å; F122-F326 HydrophobicContact CD1-CE1 3.98Å; F122-F326 HydrophobicContact CD1-CE2 4.41Å; F122-F326 AromaticContact CD1-CG 3.52Å; F122-F326 HydrophobicContact CD1-CG 3.52Å; F122-F326 HydrophobicContact CD1-CZ 4.41Å; F122-F326 HydrophobicContact CE1-CB 3.73Å; F122-F326 AromaticContact CE1-CD1 3.85Å; F122-F326 HydrophobicContact CE1-CD1 3.85Å; F122-F326 AromaticContact CE1-CG 3.9Å; F122-F326 HydrophobicContact CE1-CG 3.9Å; S175-F326 WeakPolarHBondContact O-CA 3.36Å; F176-F326 HydrophobicContact CB-CD1 4.47Å; F176-F326 HydrophobicContact CB-CE1 4.49Å; F176-F326 HydrophobicContact CD1-CD1 4.17Å; F176-F326 HydrophobicContact CD1-CE1 4.48Å; F298-F326 WeakPolarHBondContact CA-O 3.43Å; I299-F326 HydrophobicContact CB-CB 4.16Å; I299-F326 PolarHBondContact N-O 3.3Å; I299-F326 PolarHBondContact O-N 3.28Å; I299-F326 VanDerWaalsContact O-N 3.15Å; L322-F326 HydrophobicContact CB-CE2 4.24Å; L322-F326 HydrophobicContact CD1-CD2 3.97Å; L322-F326 HydrophobicContact CD1-CE2 3.9Å; K324-F326 HydrophobicContact CB-CE1 4.28Å; K324-F326 HydrophobicContact CB-CE2 4.07Å; K324-F326 HydrophobicContact CB-CZ 3.81Å; K324-F326 VanDerWaalsContact O-CD2 3.26Å; K324-F326 WeakPolarHBondContact O-CD2 3.44Å; K324-F326 WeakPolarHBondContact O-CE2 3.43Å
327	V	97.7	Very high	92.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	130.3	170.4	-179	0	0	0	0	108	W174 S175 Y179 Y180 A184 F298 T329	W174-V327 VanDerWaalsContact CA-O 3.29Å; W174-V327 WeakPolarHBondContact CA-O 3.05Å; S175-V327 PolarHBondContact N-O 3.19Å; S175-V327 PolarHBondContact O-N 2.77Å; S175-V327 VanDerWaalsContact O-N 3.15Å; Y179-V327 HydrophobicContact CD2-CG2 4.3Å; Y179-V327 HydrophobicContact CE2-CB 4.35Å; Y179-V327 HydrophobicContact CE2-CG1 4.33Å; Y179-V327 HydrophobicContact CE2-CG2 4.16Å; Y180-V327 HydrophobicContact CD2-CG2 3.94Å; A184-V327 HydrophobicContact CB-CG1 3.78Å; A184-V327 HydrophobicContact CB-CG2 4.16Å; F298-V327 HydrophobicContact CD1-CG2 4.47Å; V327-T329 HydrophobicContact CG1-CG2 3.74Å
328	D	97.3	Very high	93.5	Very high	8 Å²	8	30 Å²	30	4%	0.043	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	114.7	171.9	172.4	28.7	0	0	0	108.3	M115 W174 V297 I299	M115-D328 WeakPolarHBondContact CB-OD2 3.43Å; M115-D328 WeakPolarHBondContact CG-OD2 3.44Å; W174-D328 PolarHBondContact NE1-OD1 3.05Å; V297-D328 HydrophobicContact CB-CB 4.31Å; V297-D328 WeakPolarHBondContact CB-O 3.45Å; V297-D328 PolarHBondContact N-O 3.13Å; V297-D328 PolarHBondContact O-N 3.47Å; I299-D328 HydrophobicContact CD1-CB 3.79Å; I299-D328 HydrophobicContact CG1-CB 4.27Å
329	T	97.5	Very high	94.1	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	144.8	176.9	87.3	0	0	0	0	111.2	G172 S173 W294 N295 C296 V327	G172-T329 WeakPolarHBondContact CA-O 3.29Å; S173-T329 PolarHBondContact N-OG1 2.82Å; S173-T329 PolarHBondContact O-N 3.24Å; S173-T329 PolarHBondContact O-OG1 3.48Å; S173-T329 PolarHBondContact OG-OG1 3Å; W294-T329 VanDerWaalsContact NE1-CB 3.33Å; W294-T329 PolarHBondContact NE1-OG1 2.77Å; N295-T329 CarbonylContact O-C 3.54Å; N295-T329 WeakPolarHBondContact O-CA 3.48Å; C296-T329 HydrophobicContact CB-CG2 4.32Å; V327-T329 HydrophobicContact CG1-CG2 3.74Å
330	G	97.2	Very high	94.6	Very high	16 Å²	16	27.3 Å²	27.3	17%	0.165	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	116.5	177.3	0	0	0	0	0	111.8	L171 W294 N295	L171-G330 WeakPolarHBondContact O-CA 3.4Å; W294-G330 VanDerWaalsContact CD1-C 3.48Å; W294-G330 VanDerWaalsContact CD1-O 3.31Å; N295-G330 PolarHBondContact N-O 2.88Å; N295-G330 PolarHBondContact O-N 3.49Å
331	M	98.1	Very high	95	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	131.4	173	-179.3	167	56.2	0	0	109.7	F83 L171 F191 L293 W294 L333 L336	F83-M331 HydrophobicContact CD2-CE 3.43Å; F83-M331 VanDerWaalsContact CD2-CE 3.43Å; F83-M331 HydrophobicContact CE2-CE 3.57Å; L171-M331 HydrophobicContact CB-CB 4.28Å; L171-M331 HydrophobicContact CB-CE 4.43Å; L171-M331 HydrophobicContact CD1-CE 3.72Å; L171-M331 PolarHBondContact N-O 2.78Å; L171-M331 PolarHBondContact O-N 2.9Å; F191-M331 HydrophobicContact CD1-CE 4.34Å; F191-M331 HydrophobicContact CE1-CE 3.8Å; L293-M331 HydrophobicContact CD1-CG 4.02Å; L293-M331 HydrophobicContact CD1-SD 4.19Å; L293-M331 HydrophobicContact CD2-SD 4.31Å; L293-M331 HydrophobicContact CG-CG 4.14Å; L293-M331 HydrophobicContact CG-SD 4.03Å; L293-M331 WeakPolarHBondContact O-CA 3.44Å; L293-M331 WeakPolarHBondContact O-CG 3.3Å; W294-M331 HydrophobicContact CB-CB 4.13Å; W294-M331 HydrophobicContact CB-CG 4.26Å; W294-M331 HydrophobicContact CB-SD 4.45Å; W294-M331 HydrophobicContact CD2-CB 3.81Å; W294-M331 HydrophobicContact CD2-CE 4.39Å; W294-M331 HydrophobicContact CD2-CG 4.28Å; W294-M331 HydrophobicContact CD2-SD 3.89Å; W294-M331 HydrophobicContact CE3-CB 4.43Å; W294-M331 HydrophobicContact CE3-CE 4.03Å; W294-M331 HydrophobicContact CE3-CG 4.5Å; W294-M331 HydrophobicContact CE3-SD 3.52Å; W294-M331 VanDerWaalsContact CE3-SD 3.52Å; W294-M331 HydrophobicContact CG-CB 3.66Å; W294-M331 HydrophobicContact CG-CG 4.21Å; W294-M331 HydrophobicContact CG-SD 4.33Å; W294-M331 HydrophobicContact CH2-CE 4.3Å; W294-M331 HydrophobicContact CZ3-CE 4Å; W294-M331 HydrophobicContact CZ3-SD 4.05Å; M331-L333 PolarHBondContact O-N 3.35Å; M331-L336 HydrophobicContact CE-CD2 3.78Å; M331-L336 HydrophobicContact SD-CB 4.46Å; M331-L336 HydrophobicContact SD-CD1 4.17Å; M331-L336 HydrophobicContact SD-CD2 4.15Å; M331-L336 HydrophobicContact SD-CG 4.49Å
332	G	96.7	Very high	95.2	Very high	11 Å²	11	19.4 Å²	19.4	11%	0.113	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	118.7	176.4	0	0	0	0	0	110.8	L293 E334 R335 L336	L293-G332 PolarHBondContact O-N 2.96Å; G332-E334 VanDerWaalsContact C-N 3.32Å; G332-E334 PolarHBondContact O-N 3.47Å; G332-R335 PolarHBondContact O-N 3.15Å; G332-L336 PolarHBondContact O-N 2.7Å
333	L	97.6	Very high	95.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.5	-40.3	-179.6	178.6	59.4	0	0	0	111.9	V76 L79 R80 E169 L171 M331 L336 A337	V76-L333 HydrophobicContact CB-CD1 4.27Å; V76-L333 HydrophobicContact CB-CD2 3.99Å; V76-L333 HydrophobicContact CB-CG 4Å; V76-L333 HydrophobicContact CG1-CG 4.16Å; L79-L333 HydrophobicContact CB-CD1 4.09Å; R80-L333 HydrophobicContact CB-CD1 4.27Å; R80-L333 HydrophobicContact CB-CD2 4.23Å; R80-L333 VanDerWaalsContact NH2-CD2 3.33Å; E169-L333 HydrophobicContact CB-CB 3.88Å; E169-L333 HydrophobicContact CB-CD2 3.85Å; E169-L333 HydrophobicContact CG-CD2 4.46Å; E169-L333 WeakPolarHBondContact O-CB 3.39Å; E169-L333 PolarHBondContact O-N 2.68Å; L171-L333 HydrophobicContact CD1-CB 4.34Å; L171-L333 HydrophobicContact CD1-CD1 3.82Å; L171-L333 HydrophobicContact CD2-CD1 4.45Å; L171-L333 HydrophobicContact CG-CB 4.17Å; L171-L333 HydrophobicContact CG-CD1 4.29Å; M331-L333 PolarHBondContact O-N 3.35Å; L333-L336 PolarHBondContact O-N 3.29Å; L333-A337 PolarHBondContact O-N 3.19Å
334	E	96.2	Very high	95.6	Very high	4 Å²	4	13.3 Å²	13.3	2%	0.019	7%	0.074	C	C	.	.	H	α-helix	trans	-66.6	-39.6	177.6	-67	77.7	179.2	0	0	111.2	F168 E169 G332 A337 C338 M352 R453	F168-E334 WeakPolarHBondContact CB-OE2 3.33Å; E169-E334 PolarHBondContact N-OE1 2.84Å; E169-E334 VanDerWaalsContact N-OE1 3.15Å; E169-E334 PolarHBondContact N-OE2 3.25Å; G332-E334 VanDerWaalsContact C-N 3.32Å; G332-E334 PolarHBondContact O-N 3.47Å; E334-A337 PolarHBondContact O-N 3.2Å; E334-C338 WeakPolarHBondContact O-CB 3.21Å; E334-C338 PolarHBondContact O-N 3.26Å; E334-M352 HydrophobicContact CG-CE 3.72Å; E334-R453 IonicContact OE1-CZ 2.77Å; E334-R453 IonicContact OE1-NH1 3.73Å; E334-R453 PolarHBondContact OE1-NH1 3.02Å; E334-R453 IonicContact OE1-NH2 3.18Å; E334-R453 PolarHBondContact OE1-NH2 3.09Å
335	R	96.3	Very high	95.8	Very high	33 Å²	33	7.6 Å²	7.6	13%	0.125	5%	0.049	C	C	.	.	H	α-helix	trans	-64.7	-41.8	173.7	-69.6	-172.9	-178.7	178.8	1.7	111.1	L291 E292 L293 G332 C338 V339	L291-R335 HydrophobicContact CD1-CG 4.16Å; L291-R335 HydrophobicContact CD2-CB 3.86Å; L291-R335 HydrophobicContact CD2-CG 4.1Å; L291-R335 HydrophobicContact CG-CG 4.43Å; E292-R335 WeakPolarHBondContact O-CD 3.45Å; E292-R335 PolarHBondContact O-NH1 3.06Å; E292-R335 IonicContact OE2-NH1 2.68Å; E292-R335 PolarHBondContact OE2-NH1 2.78Å; L293-R335 HydrophobicContact CD1-CB 4.1Å; G332-R335 PolarHBondContact O-N 3.15Å; R335-C338 VanDerWaalsContact O-CB 3.32Å; R335-C338 WeakPolarHBondContact O-CB 3.34Å; R335-C338 PolarHBondContact O-N 2.88Å; R335-V339 WeakPolarHBondContact O-CG2 3.47Å; R335-V339 PolarHBondContact O-N 3.05Å
336	L	97.8	Very high	96	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-62.8	-45.7	175.1	-178.2	63.4	0	0	0	111.2	L79 L171 F191 L196 L293 M331 G332 L333 C338 V339 M340	L79-L336 HydrophobicContact CB-CD2 4.12Å; L79-L336 HydrophobicContact CD1-CG 4.23Å; L79-L336 HydrophobicContact CD2-CD2 4.33Å; L79-L336 HydrophobicContact CD2-CG 4.47Å; L171-L336 HydrophobicContact CD1-CD2 4.15Å; F191-L336 HydrophobicContact CE1-CD2 4.48Å; L196-L336 HydrophobicContact CD1-CD1 3.84Å; L293-L336 HydrophobicContact CD1-CB 4Å; L293-L336 HydrophobicContact CD1-CD1 4.26Å; L293-L336 HydrophobicContact CD2-CD1 4.25Å; M331-L336 HydrophobicContact CE-CD2 3.78Å; M331-L336 HydrophobicContact SD-CB 4.46Å; M331-L336 HydrophobicContact SD-CD1 4.17Å; M331-L336 HydrophobicContact SD-CD2 4.15Å; M331-L336 HydrophobicContact SD-CG 4.49Å; G332-L336 PolarHBondContact O-N 2.7Å; L333-L336 PolarHBondContact O-N 3.29Å; L336-C338 VanDerWaalsContact C-N 3.29Å; L336-C338 PolarHBondContact O-N 3.35Å; L336-V339 PolarHBondContact O-N 3Å; L336-M340 HydrophobicContact CD1-CG 3.92Å; L336-M340 HydrophobicContact CD1-SD 4.38Å; L336-M340 HydrophobicContact CG-CG 4.17Å; L336-M340 WeakPolarHBondContact O-CB 3.33Å; L336-M340 VanDerWaalsContact O-CG 3.22Å; L336-M340 WeakPolarHBondContact O-CG 3.26Å; L336-M340 PolarHBondContact O-N 3.19Å
337	A	97	Very high	95.9	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-58.8	-42.9	175.5	0	0	0	0	0	111.7	V76 L79 L333 E334 V339 M340 Q341	V76-A337 HydrophobicContact CG1-CB 3.7Å; L79-A337 HydrophobicContact CD1-CB 3.96Å; L333-A337 PolarHBondContact O-N 3.19Å; E334-A337 PolarHBondContact O-N 3.2Å; A337-V339 PolarHBondContact O-N 2.78Å; A337-M340 PolarHBondContact O-N 2.92Å; A337-Q341 VanDerWaalsContact O-CB 3.24Å; A337-Q341 WeakPolarHBondContact O-CB 3.23Å; A337-Q341 WeakPolarHBondContact O-CG 3.15Å; A337-Q341 PolarHBondContact O-N 2.72Å
338	C	95.4	Very high	95.7	Very high	1 Å²	1	5.3 Å²	5.3	1%	0.007	3%	0.032	C	C	.	.	H	α-helix	trans	-55.9	-49.1	175.1	-164.2	0	0	0	0	112	E334 R335 L336 Q341 G342 L343 S345 N346	E334-C338 WeakPolarHBondContact O-CB 3.21Å; E334-C338 PolarHBondContact O-N 3.26Å; R335-C338 VanDerWaalsContact O-CB 3.32Å; R335-C338 WeakPolarHBondContact O-CB 3.34Å; R335-C338 PolarHBondContact O-N 2.88Å; L336-C338 VanDerWaalsContact C-N 3.29Å; L336-C338 PolarHBondContact O-N 3.35Å; C338-Q341 PolarHBondContact O-N 2.95Å; C338-G342 PolarHBondContact O-N 2.89Å; C338-G342 VanDerWaalsContact O-N 3.13Å; C338-L343 PolarHBondContact O-N 2.8Å; C338-L343 VanDerWaalsContact SG-C 3.54Å; C338-L343 PolarHBondContact SG-O 3.34Å; C338-S345 PolarHBondContact SG-O 2.79Å; C338-N346 WeakPolarHBondContact CB-OD1 3.22Å
339	V	96.6	Very high	95.6	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-60.7	-49.3	175.4	170.9	0	0	0	0	111.7	L198 I265 F267 L270 L291 L293 R335 L336 A337 Q341 G342	L198-V339 HydrophobicContact CD1-CG1 4.41Å; L198-V339 HydrophobicContact CD2-CG1 4.19Å; I265-V339 HydrophobicContact CB-CG2 4.23Å; I265-V339 HydrophobicContact CG1-CG2 4.21Å; I265-V339 HydrophobicContact CG2-CG1 4.07Å; I265-V339 HydrophobicContact CG2-CG2 4.13Å; F267-V339 HydrophobicContact CE1-CG2 4.11Å; F267-V339 HydrophobicContact CZ-CG2 4.08Å; L270-V339 HydrophobicContact CD1-CG1 4.17Å; L270-V339 HydrophobicContact CD2-CG1 4.24Å; L291-V339 HydrophobicContact CD2-CG2 4.1Å; L293-V339 HydrophobicContact CD1-CG2 4.49Å; R335-V339 WeakPolarHBondContact O-CG2 3.47Å; R335-V339 PolarHBondContact O-N 3.05Å; L336-V339 PolarHBondContact O-N 3Å; A337-V339 PolarHBondContact O-N 2.78Å; V339-Q341 PolarHBondContact O-N 2.96Å; V339-G342 PolarHBondContact O-N 2.94Å; V339-G342 VanDerWaalsContact O-N 3.15Å
340	M	97.5	Very high	95.4	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.005	5%	0.051	C	C	.	.	H	α-helix	trans	-72.3	-15.6	-175.4	-62.1	-53.5	-63.5	0	0	113.4	L65 I69 R70 L71 R72 N73 L79 L196 L198 L336 A337	L65-M340 WeakPolarHBondContact CD1-O 3.36Å; I69-M340 HydrophobicContact CG2-CE 3.37Å; I69-M340 HydrophobicContact CG2-SD 4.31Å; R70-M340 WeakPolarHBondContact O-CE 3.29Å; L71-M340 HydrophobicContact CB-CE 4.24Å; R72-M340 CarbonylContact C-O 3.49Å; R72-M340 WeakPolarHBondContact CA-O 3.32Å; N73-M340 PolarHBondContact N-O 2.78Å; L79-M340 HydrophobicContact CD1-CB 4.2Å; L79-M340 HydrophobicContact CD1-CG 4.21Å; L79-M340 HydrophobicContact CD2-CB 4.31Å; L79-M340 HydrophobicContact CD2-CG 3.83Å; L196-M340 HydrophobicContact CB-CE 4.23Å; L196-M340 HydrophobicContact CB-SD 4.43Å; L196-M340 HydrophobicContact CD1-SD 4.03Å; L196-M340 HydrophobicContact CD2-CE 4.15Å; L198-M340 HydrophobicContact CD2-SD 3.84Å; L198-M340 HydrophobicContact CG-SD 4.45Å; L336-M340 HydrophobicContact CD1-CG 3.92Å; L336-M340 HydrophobicContact CD1-SD 4.38Å; L336-M340 HydrophobicContact CG-CG 4.17Å; L336-M340 WeakPolarHBondContact O-CB 3.33Å; L336-M340 VanDerWaalsContact O-CG 3.22Å; L336-M340 WeakPolarHBondContact O-CG 3.26Å; L336-M340 PolarHBondContact O-N 3.19Å; A337-M340 PolarHBondContact O-N 2.92Å
341	Q	96.5	Very high	95.2	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-1.7	175	-65.6	168.6	17.1	0	0	112.5	S74 A337 C338 V339 L343 S349 Y350 E351	S74-Q341 PolarHBondContact O-NE2 2.9Å; A337-Q341 VanDerWaalsContact O-CB 3.24Å; A337-Q341 WeakPolarHBondContact O-CB 3.23Å; A337-Q341 WeakPolarHBondContact O-CG 3.15Å; A337-Q341 PolarHBondContact O-N 2.72Å; C338-Q341 PolarHBondContact O-N 2.95Å; V339-Q341 PolarHBondContact O-N 2.96Å; Q341-L343 VanDerWaalsContact C-N 3.31Å; Q341-L343 HydrophobicContact CB-CD1 3.75Å; Q341-L343 HydrophobicContact CB-CG 4.02Å; Q341-L343 PolarHBondContact O-N 3.17Å; Q341-S349 VanDerWaalsContact OE1-CA 3.23Å; Q341-Y350 HydrophobicContact CG-CD2 4.11Å; Q341-Y350 HydrophobicContact CG-CE2 3.82Å; Q341-E351 PolarHBondContact NE2-OE2 3.45Å
342	G	94.8	Very high	95	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.4	31.5	179.3	0	0	0	0	0	113	H62 V63 C338 V339	H62-G342 CarbonylContact C-O 3.54Å; H62-G342 VanDerWaalsContact CA-O 3.25Å; H62-G342 WeakPolarHBondContact CA-O 3.37Å; V63-G342 WeakPolarHBondContact CG2-O 3.49Å; V63-G342 PolarHBondContact N-O 3.27Å; C338-G342 PolarHBondContact O-N 2.89Å; C338-G342 VanDerWaalsContact O-N 3.13Å; V339-G342 PolarHBondContact O-N 2.94Å; V339-G342 VanDerWaalsContact O-N 3.15Å
343	L	94.1	Very high	94.9	Very high	16 Å²	16	13.2 Å²	13.2	8%	0.084	6%	0.06	C	C	.	.	B	Isolated β-bridge	trans	-104.5	149.7	-178.4	-63.2	167.9	0	0	0	109.9	F267 C338 Q341 D348	F267-L343 WeakPolarHBondContact CE1-O 3.45Å; F267-L343 WeakPolarHBondContact CZ-O 3.25Å; C338-L343 PolarHBondContact O-N 2.8Å; C338-L343 VanDerWaalsContact SG-C 3.54Å; C338-L343 PolarHBondContact SG-O 3.34Å; Q341-L343 VanDerWaalsContact C-N 3.31Å; Q341-L343 HydrophobicContact CB-CD1 3.75Å; Q341-L343 HydrophobicContact CB-CG 4.02Å; Q341-L343 PolarHBondContact O-N 3.17Å; L343-D348 HydrophobicContact CD1-CB 4.28Å; L343-D348 WeakPolarHBondContact CD1-O 3.21Å; L343-D348 HydrophobicContact CD2-CB 4.25Å
344	T	90.6	Very high	94.7	Very high	6 Å²	6	15 Å²	15	4%	0.037	7%	0.072	C	C	.	.	S	Bend	trans	-104.8	12	-179.6	59.6	0	0	0	0	113.5	V59 P60 R61 V63 R162 F267	V59-T344 HydrophobicContact CG1-CG2 3.74Å; P60-T344 WeakPolarHBondContact O-CG2 3.3Å; P60-T344 PolarHBondContact O-OG1 3.24Å; R61-T344 WeakPolarHBondContact CA-OG1 3.48Å; R61-T344 PolarHBondContact O-N 3Å; R61-T344 VanDerWaalsContact O-N 3.08Å; R61-T344 PolarHBondContact O-OG1 2.88Å; V63-T344 HydrophobicContact CG1-CG2 4.28Å; R162-T344 WeakPolarHBondContact CD-O 3.44Å; R162-T344 PolarHBondContact NH1-OG1 3.08Å; R162-T344 VanDerWaalsContact NH1-OG1 3.15Å; F267-T344 HydrophobicContact CB-CG2 4.05Å; F267-T344 HydrophobicContact CD1-CG2 4.09Å; F267-T344 HydrophobicContact CD2-CG2 4.1Å; F267-T344 HydrophobicContact CG-CG2 3.84Å
345	S	91.8	Very high	94.7	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.007	7%	0.072	C	C	.	.			trans	-144.7	132.6	175	167.7	0	0	0	0	109.7	R162 C338 Y347 D348 F377	R162-S345 WeakPolarHBondContact O-CA 3.24Å; C338-S345 PolarHBondContact SG-O 2.79Å; S345-Y347 PolarHBondContact O-N 2.95Å; S345-Y347 PolarHBondContact OG-N 3.22Å; S345-D348 WeakPolarHBondContact CB-OD2 3.46Å; S345-D348 PolarHBondContact O-N 3.03Å; S345-D348 VanDerWaalsContact O-N 3.15Å; S345-F377 WeakPolarHBondContact OG-CZ 3.43Å
346	N	93.2	Very high	94.7	Very high	2 Å²	2	13.4 Å²	13.4	1%	0.011	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	-61.8	-32	176.5	-67.9	-7.6	0	0	0	111.2	R162 H163 H165 C338 D348 S349 M352	R162-N346 PolarHBondContact O-N 2.94Å; H163-N346 PolarHBondContact O-ND2 3.19Å; H165-N346 WeakPolarHBondContact NE2-CB 3.35Å; H165-N346 PolarHBondContact NE2-ND2 3.45Å; H165-N346 VanDerWaalsContact NE2-ND2 3.11Å; C338-N346 WeakPolarHBondContact CB-OD1 3.22Å; N346-D348 PolarHBondContact O-N 3.46Å; N346-S349 WeakPolarHBondContact O-CB 3.34Å; N346-S349 PolarHBondContact O-N 3.38Å; N346-S349 VanDerWaalsContact O-N 3.17Å; N346-S349 PolarHBondContact O-OG 3.43Å; N346-M352 WeakPolarHBondContact O-CG 3.37Å
347	Y	93.9	Very high	94.5	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-68.8	-15.7	-179.8	-60.9	-80.3	0	0	0	113.8	G159 D161 H164 H165 S345 M352 F377 R446 D450	G159-Y347 PolarHBondContact N-OH 3.44Å; G159-Y347 VanDerWaalsContact N-OH 3.07Å; D161-Y347 WeakPolarHBondContact O-CE2 3.16Å; H164-Y347 PolarHBondContact O-OH 2.75Å; H165-Y347 AromaticContact CE1-CE1 3.78Å; H165-Y347 AromaticContact CE1-CZ 3.83Å; S345-Y347 PolarHBondContact O-N 2.95Å; S345-Y347 PolarHBondContact OG-N 3.22Å; Y347-M352 VanDerWaalsContact O-CB 3.3Å; Y347-M352 WeakPolarHBondContact O-CB 3.37Å; Y347-F377 HydrophobicContact CD2-CZ 4.34Å; Y347-R446 HydrophobicContact CD1-CB 3.67Å; Y347-R446 HydrophobicContact CD1-CG 3.53Å; Y347-R446 HydrophobicContact CD2-CG 4.21Å; Y347-R446 HydrophobicContact CE1-CB 3.66Å; Y347-R446 HydrophobicContact CE1-CG 4.01Å; Y347-R446 HydrophobicContact CG-CB 4.21Å; Y347-R446 VanDerWaalsContact CG-CD 3.47Å; Y347-R446 HydrophobicContact CG-CG 3.61Å; Y347-D450 HydrophobicContact CE1-CB 4.39Å
348	D	93.3	Very high	94.4	Very high	11 Å²	11	20.5 Å²	20.5	6%	0.059	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-91.2	-4.1	178	-63.4	-25.3	0	0	0	112.4	R61 L343 S345 N346 Y373	R61-D348 VanDerWaalsContact CG-OD2 3.25Å; R61-D348 WeakPolarHBondContact CG-OD2 3.22Å; R61-D348 IonicContact CZ-OD1 2.97Å; R61-D348 IonicContact CZ-OD2 3.9Å; R61-D348 IonicContact NE-OD1 2.98Å; R61-D348 PolarHBondContact NE-OD1 2.89Å; R61-D348 IonicContact NE-OD2 3.19Å; R61-D348 PolarHBondContact NE-OD2 2.73Å; R61-D348 VanDerWaalsContact NH2-CG 3.31Å; R61-D348 IonicContact NH2-OD1 3.08Å; R61-D348 PolarHBondContact NH2-OD1 3.3Å; R61-D348 IonicContact NH2-OD2 3.52Å; L343-D348 HydrophobicContact CD1-CB 4.28Å; L343-D348 WeakPolarHBondContact CD1-O 3.21Å; L343-D348 HydrophobicContact CD2-CB 4.25Å; S345-D348 WeakPolarHBondContact CB-OD2 3.46Å; S345-D348 PolarHBondContact O-N 3.03Å; S345-D348 VanDerWaalsContact O-N 3.15Å; N346-D348 PolarHBondContact O-N 3.46Å; D348-Y373 VanDerWaalsContact OD1-CE1 3.26Å; D348-Y373 WeakPolarHBondContact OD1-CE1 3.24Å; D348-Y373 PolarHBondContact OD1-OH 3.38Å
349	S	94.4	Very high	94.3	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.014	10%	0.099	C	C	.	.	S	Bend	trans	-59.3	156	179.4	90.7	0	0	0	0	111.5	Q341 N346 E351 M352 N353	Q341-S349 VanDerWaalsContact OE1-CA 3.23Å; N346-S349 WeakPolarHBondContact O-CB 3.34Å; N346-S349 PolarHBondContact O-N 3.38Å; N346-S349 VanDerWaalsContact O-N 3.17Å; N346-S349 PolarHBondContact O-OG 3.43Å; S349-E351 PolarHBondContact O-N 3.45Å; S349-E351 PolarHBondContact OG-OE2 2.83Å; S349-M352 PolarHBondContact O-N 3.37Å; S349-M352 VanDerWaalsContact O-N 3.15Å; S349-M352 PolarHBondContact OG-N 3.37Å; S349-N353 WeakPolarHBondContact O-CB 3.01Å; S349-N353 PolarHBondContact O-N 2.98Å
350	Y	94.5	Very high	94.1	Very high	110 Å²	110	22.5 Å²	22.5	43%	0.431	11%	0.108	S	C	.	.	H	α-helix	trans	-54.5	-39.9	-179.7	-58.4	-22.7	0	0	0	112.5	N73 Q341 S354	N73-Y350 HydrophobicContact CB-CE2 4Å; N73-Y350 WeakPolarHBondContact CB-OH 3.23Å; N73-Y350 WeakPolarHBondContact O-CE2 3.3Å; N73-Y350 PolarHBondContact OD1-OH 2.85Å; Q341-Y350 HydrophobicContact CG-CD2 4.11Å; Q341-Y350 HydrophobicContact CG-CE2 3.82Å; Y350-S354 VanDerWaalsContact O-CB 3.31Å; Y350-S354 WeakPolarHBondContact O-CB 3.3Å; Y350-S354 PolarHBondContact O-N 3.25Å
351	E	92.6	Very high	93.8	Very high	34 Å²	34	26.1 Å²	26.1	16%	0.159	13%	0.133	C	C	.	.	H	α-helix	trans	-63.9	-51.3	177.7	-65.9	75	-167.8	0	0	111.9	S75 V76 Q341 S349 S354 L355	S75-E351 WeakPolarHBondContact CA-OE1 3.3Å; S75-E351 WeakPolarHBondContact CB-OE1 3.45Å; V76-E351 HydrophobicContact CB-CG 4.29Å; V76-E351 HydrophobicContact CG1-CG 3.88Å; V76-E351 HydrophobicContact CG2-CG 3.55Å; V76-E351 PolarHBondContact N-OE1 3.4Å; Q341-E351 PolarHBondContact NE2-OE2 3.45Å; S349-E351 PolarHBondContact O-N 3.45Å; S349-E351 PolarHBondContact OG-OE2 2.83Å; E351-S354 PolarHBondContact O-N 3.34Å; E351-S354 PolarHBondContact O-OG 2.98Å; E351-L355 PolarHBondContact O-N 3.15Å
352	M	94.5	Very high	93.5	Very high	4 Å²	4	30.3 Å²	30.3	2%	0.02	15%	0.152	C	C	.	.	H	α-helix	trans	-67.5	-44.6	-178.2	-61	-54.1	166	0	0	110.9	E334 N346 Y347 S349 S354 L355 M356 V449	E334-M352 HydrophobicContact CG-CE 3.72Å; N346-M352 WeakPolarHBondContact O-CG 3.37Å; Y347-M352 VanDerWaalsContact O-CB 3.3Å; Y347-M352 WeakPolarHBondContact O-CB 3.37Å; S349-M352 PolarHBondContact O-N 3.37Å; S349-M352 VanDerWaalsContact O-N 3.15Å; S349-M352 PolarHBondContact OG-N 3.37Å; M352-S354 VanDerWaalsContact C-N 3.29Å; M352-S354 PolarHBondContact O-N 2.91Å; M352-L355 WeakPolarHBondContact O-CA 3.41Å; M352-L355 WeakPolarHBondContact O-CB 3.29Å; M352-L355 PolarHBondContact O-N 3.03Å; M352-M356 WeakPolarHBondContact O-CG 3.44Å; M352-M356 PolarHBondContact O-N 2.53Å; M352-V449 HydrophobicContact CB-CG1 4.4Å; M352-V449 HydrophobicContact SD-CG1 3.47Å; M352-V449 WeakPolarHBondContact SD-CG1 3.45Å
353	N	93.5	Very high	93.1	Very high	52 Å²	52	30.5 Å²	30.5	28%	0.278	15%	0.153	S	C	.	.	H	α-helix	trans	-62.3	-36.7	178.7	-167.6	53.6	0	0	0	111.7	S349 L355 M356 E357	S349-N353 WeakPolarHBondContact O-CB 3.01Å; S349-N353 PolarHBondContact O-N 2.98Å; N353-L355 PolarHBondContact O-N 2.87Å; N353-M356 WeakPolarHBondContact O-CB 3.31Å; N353-M356 PolarHBondContact O-N 2.9Å; N353-M356 VanDerWaalsContact O-N 3.09Å; N353-E357 PolarHBondContact ND2-OE1 3.02Å; N353-E357 WeakPolarHBondContact O-CG 3.5Å; N353-E357 PolarHBondContact O-N 3.44Å
354	S	94.9	Very high	92.7	Very high	37 Å²	37	32.3 Å²	32.3	26%	0.259	16%	0.163	S	C	.	.	H	α-helix	trans	-61.7	-29.2	174.1	83.2	0	0	0	0	113.4	Y350 E351 M352 F358 R514	Y350-S354 VanDerWaalsContact O-CB 3.31Å; Y350-S354 WeakPolarHBondContact O-CB 3.3Å; Y350-S354 PolarHBondContact O-N 3.25Å; E351-S354 PolarHBondContact O-N 3.34Å; E351-S354 PolarHBondContact O-OG 2.98Å; M352-S354 VanDerWaalsContact C-N 3.29Å; M352-S354 PolarHBondContact O-N 2.91Å; S354-F358 PolarHBondContact O-N 2.98Å; S354-R514 PolarHBondContact O-NH1 3.43Å; S354-R514 PolarHBondContact OG-NH1 3.33Å; S354-R514 VanDerWaalsContact OG-NH1 3.17Å
355	L	96.3	Very high	92.3	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.01	19%	0.19	C	C	.	.	H	α-helix	trans	-79.9	-36.7	174	-64.1	173.4	0	0	0	110.8	E351 M352 N353 E357 F358 I359 V449 R453 L507 V511	E351-L355 PolarHBondContact O-N 3.15Å; M352-L355 WeakPolarHBondContact O-CA 3.41Å; M352-L355 WeakPolarHBondContact O-CB 3.29Å; M352-L355 PolarHBondContact O-N 3.03Å; N353-L355 PolarHBondContact O-N 2.87Å; L355-E357 VanDerWaalsContact C-N 3.32Å; L355-E357 PolarHBondContact O-N 3.46Å; L355-F358 WeakPolarHBondContact O-CB 3.42Å; L355-F358 PolarHBondContact O-N 3.1Å; L355-I359 VanDerWaalsContact O-CG1 3.3Å; L355-I359 WeakPolarHBondContact O-CG1 3.48Å; L355-I359 PolarHBondContact O-N 3.32Å; L355-V449 HydrophobicContact CB-CG1 4.18Å; L355-V449 HydrophobicContact CB-CG2 3.69Å; L355-V449 HydrophobicContact CD1-CG1 3.81Å; L355-R453 HydrophobicContact CD1-CG 4.41Å; L355-L507 HydrophobicContact CB-CD1 4.32Å; L355-L507 HydrophobicContact CD2-CD1 4.14Å; L355-V511 HydrophobicContact CD1-CG2 3.94Å; L355-V511 HydrophobicContact CD2-CG2 3.83Å
356	M	94.9	Very high	91.2	Very high	3 Å²	3	39.1 Å²	39.1	2%	0.015	21%	0.21	C	C	.	.	H	α-helix	trans	-59.5	-42.5	171.3	-58.2	-56.3	-174.3	0	0	111.9	M352 N353 F358 I359 H360 Y373 Y445 R446 V449	M352-M356 WeakPolarHBondContact O-CG 3.44Å; M352-M356 PolarHBondContact O-N 2.53Å; N353-M356 WeakPolarHBondContact O-CB 3.31Å; N353-M356 PolarHBondContact O-N 2.9Å; N353-M356 VanDerWaalsContact O-N 3.09Å; M356-F358 VanDerWaalsContact C-N 3.34Å; M356-F358 PolarHBondContact O-N 2.89Å; M356-I359 WeakPolarHBondContact O-CB 3.2Å; M356-I359 PolarHBondContact O-N 3.36Å; M356-I359 HydrophobicContact SD-CD1 4.28Å; M356-H360 WeakPolarHBondContact O-CB 3.3Å; M356-H360 PolarHBondContact O-N 2.96Å; M356-Y373 HydrophobicContact CG-CD1 4.24Å; M356-Y373 HydrophobicContact CG-CG 4.41Å; M356-Y445 HydrophobicContact CB-CD1 4.16Å; M356-Y445 VanDerWaalsContact CE-C 3.47Å; M356-Y445 WeakPolarHBondContact CE-O 3.2Å; M356-Y445 HydrophobicContact CG-CD1 4.46Å; M356-Y445 VanDerWaalsContact SD-C 3.51Å; M356-Y445 WeakPolarHBondContact SD-CB 3.48Å; M356-Y445 HydrophobicContact SD-CD1 3.63Å; M356-Y445 HydrophobicContact SD-CG 4.01Å; M356-Y445 VanDerWaalsContact SD-O 3.35Å; M356-R446 HydrophobicContact CE-CB 4.36Å; M356-R446 HydrophobicContact CE-CG 3.94Å; M356-V449 HydrophobicContact CE-CB 3.97Å; M356-V449 HydrophobicContact CE-CG2 3.66Å; M356-V449 HydrophobicContact CG-CG2 4.24Å; M356-V449 HydrophobicContact SD-CB 4.25Å; M356-V449 HydrophobicContact SD-CG2 3.31Å; M356-V449 WeakPolarHBondContact SD-CG2 3.32Å
357	E	94.7	Very high	89.5	Confident	118 Å²	118	46.9 Å²	46.9	55%	0.551	25%	0.252	S	S	*	.	H	α-helix	trans	-63.1	-39.9	175.4	-73.4	175.2	-177.5	0	0	111.7	N353 L355 H360 S361	N353-E357 PolarHBondContact ND2-OE1 3.02Å; N353-E357 WeakPolarHBondContact O-CG 3.5Å; N353-E357 PolarHBondContact O-N 3.44Å; L355-E357 VanDerWaalsContact C-N 3.32Å; L355-E357 PolarHBondContact O-N 3.46Å; E357-H360 PolarHBondContact O-N 3.06Å; E357-S361 VanDerWaalsContact O-CB 3.32Å; E357-S361 WeakPolarHBondContact O-CB 3.46Å; E357-S361 PolarHBondContact O-N 3.48Å
358	F	94.9	Very high	88.1	Confident	30 Å²	30	52.1 Å²	52.1	13%	0.132	27%	0.272	C	S	.	.	H	α-helix	trans	-61.5	-45.6	173.1	178.5	-88.3	0	0	0	111.5	S354 L355 M356 H360 S361 K362 A506 L507 E510	S354-F358 PolarHBondContact O-N 2.98Å; L355-F358 WeakPolarHBondContact O-CB 3.42Å; L355-F358 PolarHBondContact O-N 3.1Å; M356-F358 VanDerWaalsContact C-N 3.34Å; M356-F358 PolarHBondContact O-N 2.89Å; F358-H360 VanDerWaalsContact C-N 3.35Å; F358-H360 PolarHBondContact O-N 3.1Å; F358-S361 PolarHBondContact O-N 3.07Å; F358-K362 HydrophobicContact CD1-CG 4.16Å; F358-K362 HydrophobicContact CE1-CG 3.75Å; F358-K362 HydrophobicContact CE2-CG 4.25Å; F358-K362 HydrophobicContact CZ-CD 4.35Å; F358-K362 HydrophobicContact CZ-CG 3.81Å; F358-K362 WeakPolarHBondContact O-CB 3.43Å; F358-K362 WeakPolarHBondContact O-CG 3.42Å; F358-K362 PolarHBondContact O-N 3.22Å; F358-A506 HydrophobicContact CE1-CB 4.32Å; F358-A506 HydrophobicContact CZ-CB 4.34Å; F358-L507 HydrophobicContact CD1-CD1 3.82Å; F358-L507 HydrophobicContact CE1-CB 4.36Å; F358-L507 HydrophobicContact CE1-CD1 4.31Å; F358-E510 HydrophobicContact CD2-CB 4.46Å; F358-E510 HydrophobicContact CD2-CG 3.87Å; F358-E510 HydrophobicContact CE1-CB 4.11Å; F358-E510 HydrophobicContact CE2-CB 4.03Å; F358-E510 HydrophobicContact CE2-CG 3.79Å; F358-E510 HydrophobicContact CG-CG 4.25Å; F358-E510 HydrophobicContact CZ-CB 3.83Å; F358-E510 HydrophobicContact CZ-CG 4.12Å
359	I	93.4	Very high	87.3	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-57	-50.1	175.7	-68.2	168.4	0	0	0	109.9	L355 M356 K362 A363 Y445 L448 V449 L490 L503 L507	L355-I359 VanDerWaalsContact O-CG1 3.3Å; L355-I359 WeakPolarHBondContact O-CG1 3.48Å; L355-I359 PolarHBondContact O-N 3.32Å; M356-I359 WeakPolarHBondContact O-CB 3.2Å; M356-I359 PolarHBondContact O-N 3.36Å; M356-I359 HydrophobicContact SD-CD1 4.28Å; I359-K362 PolarHBondContact O-N 2.7Å; I359-A363 VanDerWaalsContact O-CB 3.31Å; I359-A363 WeakPolarHBondContact O-CB 3.4Å; I359-A363 PolarHBondContact O-N 2.93Å; I359-Y445 HydrophobicContact CB-CD1 4.08Å; I359-Y445 HydrophobicContact CB-CE1 3.77Å; I359-Y445 HydrophobicContact CD1-CD1 4.17Å; I359-Y445 HydrophobicContact CG2-CD1 3.7Å; I359-Y445 HydrophobicContact CG2-CE1 3.35Å; I359-L448 HydrophobicContact CD1-CB 3.76Å; I359-L448 HydrophobicContact CD1-CD1 4.2Å; I359-L448 HydrophobicContact CG2-CD1 4.08Å; I359-V449 HydrophobicContact CD1-CG2 3.58Å; I359-L490 HydrophobicContact CG2-CD2 4.14Å; I359-L503 HydrophobicContact CG2-CD2 3.72Å; I359-L503 HydrophobicContact CG2-CG 4.45Å; I359-L507 HydrophobicContact CD1-CD1 4.49Å; I359-L507 HydrophobicContact CD1-CD2 3.71Å; I359-L507 HydrophobicContact CG1-CD1 4.06Å; I359-L507 HydrophobicContact CG1-CD2 3.83Å; I359-L507 HydrophobicContact CG1-CG 4.5Å
360	H	92	Very high	86.6	Confident	44 Å²	44	58 Å²	58	20%	0.204	31%	0.313	C	S	.	.	H	α-helix	trans	-60.6	-46.7	179.9	179.8	76.4	0	0	0	112.4	M356 E357 F358 K362 A363 N364 V370 T372 Y445	M356-H360 WeakPolarHBondContact O-CB 3.3Å; M356-H360 PolarHBondContact O-N 2.96Å; E357-H360 PolarHBondContact O-N 3.06Å; F358-H360 VanDerWaalsContact C-N 3.35Å; F358-H360 PolarHBondContact O-N 3.1Å; H360-K362 PolarHBondContact O-N 3.36Å; H360-A363 PolarHBondContact O-N 2.96Å; H360-N364 PolarHBondContact CD2-ND2 3.35Å; H360-N364 PolarHBondContact CE1-ND2 2.87Å; H360-N364 PolarHBondContact NE2-ND2 3.39Å; H360-N364 WeakPolarHBondContact O-CB 3.43Å; H360-N364 PolarHBondContact O-N 3.47Å; H360-N364 PolarHBondContact O-ND2 3.48Å; H360-V370 PolarHBondContact CE1-O 3.39Å; H360-V370 PolarHBondContact ND1-O 3.34Å; H360-T372 WeakPolarHBondContact CE1-CG2 3.4Å; H360-T372 WeakPolarHBondContact NE2-CG2 3.43Å; H360-Y445 HydrophobicContact CB-CE1 4.37Å
361	S	91.2	Very high	85.9	Confident	76 Å²	76	55.8 Å²	55.8	53%	0.531	31%	0.312	S	S	.	.	H	α-helix	trans	-59.4	-46.4	177.3	178.1	0	0	0	0	112	E357 F358 N364 S365	E357-S361 VanDerWaalsContact O-CB 3.32Å; E357-S361 WeakPolarHBondContact O-CB 3.46Å; E357-S361 PolarHBondContact O-N 3.48Å; F358-S361 PolarHBondContact O-N 3.07Å; S361-N364 PolarHBondContact O-N 3.17Å; S361-S365 PolarHBondContact O-N 3.44Å; S361-S365 VanDerWaalsContact O-N 3.11Å
362	K	89.4	Confident	85.8	Confident	89 Å²	89	57.4 Å²	57.4	39%	0.387	32%	0.324	S	S	.	.	H	α-helix	trans	-66.5	-44.5	178.1	-74.6	-66	-176.8	-178.5	0	112.4	F358 I359 H360 N364 S365 L503	F358-K362 HydrophobicContact CD1-CG 4.16Å; F358-K362 HydrophobicContact CE1-CG 3.75Å; F358-K362 HydrophobicContact CE2-CG 4.25Å; F358-K362 HydrophobicContact CZ-CD 4.35Å; F358-K362 HydrophobicContact CZ-CG 3.81Å; F358-K362 WeakPolarHBondContact O-CB 3.43Å; F358-K362 WeakPolarHBondContact O-CG 3.42Å; F358-K362 PolarHBondContact O-N 3.22Å; I359-K362 PolarHBondContact O-N 2.7Å; H360-K362 PolarHBondContact O-N 3.36Å; K362-N364 VanDerWaalsContact C-N 3.32Å; K362-N364 PolarHBondContact O-N 2.94Å; K362-S365 PolarHBondContact O-N 2.88Å; K362-S365 PolarHBondContact O-OG 3.38Å; K362-L503 HydrophobicContact CB-CD1 3.39Å; K362-L503 HydrophobicContact CG-CD1 4.31Å
363	A	86.1	Confident	85.7	Confident	4 Å²	4	58.1 Å²	58.1	3%	0.033	33%	0.327	C	S	.	.	H	α-helix	trans	-60.3	-42	177.6	0	0	0	0	0	111.8	I359 H360 S365 C366 V370 L490	I359-A363 VanDerWaalsContact O-CB 3.31Å; I359-A363 WeakPolarHBondContact O-CB 3.4Å; I359-A363 PolarHBondContact O-N 2.93Å; H360-A363 PolarHBondContact O-N 2.96Å; A363-S365 VanDerWaalsContact C-N 3.33Å; A363-S365 PolarHBondContact O-N 3.42Å; A363-C366 PolarHBondContact O-N 3.24Å; A363-V370 HydrophobicContact CB-CB 4.39Å; A363-V370 HydrophobicContact CB-CG2 4.01Å; A363-L490 HydrophobicContact CB-CD2 4.25Å; A363-L490 WeakPolarHBondContact CB-O 3.17Å
364	N	85.7	Confident	85.4	Confident	54 Å²	54	60 Å²	60	29%	0.289	33%	0.334	S	S	.	.	H	α-helix	trans	-66.9	-32	177.3	-76.3	-22.8	0	0	0	113.4	H360 S361 K362 C366 N367 R368 V370	H360-N364 PolarHBondContact CD2-ND2 3.35Å; H360-N364 PolarHBondContact CE1-ND2 2.87Å; H360-N364 PolarHBondContact NE2-ND2 3.39Å; H360-N364 WeakPolarHBondContact O-CB 3.43Å; H360-N364 PolarHBondContact O-N 3.47Å; H360-N364 PolarHBondContact O-ND2 3.48Å; S361-N364 PolarHBondContact O-N 3.17Å; K362-N364 VanDerWaalsContact C-N 3.32Å; K362-N364 PolarHBondContact O-N 2.94Å; N364-C366 PolarHBondContact O-N 3.4Å; N364-C366 VanDerWaalsContact O-N 3.11Å; N364-N367 PolarHBondContact O-N 2.91Å; N364-R368 WeakPolarHBondContact CA-O 3.26Å; N364-R368 PolarHBondContact OD1-O 3.41Å; N364-R368 VanDerWaalsContact OD1-O 3.04Å; N364-V370 PolarHBondContact OD1-N 2.96Å
365	S	82.4	Confident	85.1	Confident	85 Å²	85	58.9 Å²	58.9	59%	0.594	33%	0.329	S	S	*	.	H	α-helix	trans	-63.6	-16	178.2	76.3	0	0	0	0	113.6	S361 K362 A363 N367	S361-S365 PolarHBondContact O-N 3.44Å; S361-S365 VanDerWaalsContact O-N 3.11Å; K362-S365 PolarHBondContact O-N 2.88Å; K362-S365 PolarHBondContact O-OG 3.38Å; A363-S365 VanDerWaalsContact C-N 3.33Å; A363-S365 PolarHBondContact O-N 3.42Å; S365-N367 VanDerWaalsContact C-N 3.32Å; S365-N367 PolarHBondContact O-N 2.88Å
366	C	70.3	Confident	84.4	Confident	65 Å²	65	61.4 Å²	61.4	44%	0.439	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	29.3	178.9	-62.7	0	0	0	0	113.9	A363 N364 T492	A363-C366 PolarHBondContact O-N 3.24Å; N364-C366 PolarHBondContact O-N 3.4Å; N364-C366 VanDerWaalsContact O-N 3.11Å; C366-T492 HydrophobicContact CB-CG2 3.95Å
367	N	57	Low	83.7	Confident	165 Å²	165	62.3 Å²	62.3	88%	0.882	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	35.2	178.8	-73.6	-19.3	0	0	0	115.3	N364 S365	N364-N367 PolarHBondContact O-N 2.91Å; S365-N367 VanDerWaalsContact C-N 3.32Å; S365-N367 PolarHBondContact O-N 2.88Å
368	R	64.3	Low	82.4	Confident	110 Å²	110	59 Å²	59	42%	0.415	33%	0.331	S	S	.	.			trans	-127.5	138.4	171.9	-68.4	-178.8	179.1	170.9	-0.9	109.9	N364 V370 G489 D491	N364-R368 WeakPolarHBondContact CA-O 3.26Å; N364-R368 PolarHBondContact OD1-O 3.41Å; N364-R368 VanDerWaalsContact OD1-O 3.04Å; R368-V370 HydrophobicContact CB-CG2 3.86Å; R368-V370 PolarHBondContact O-N 3Å; R368-G489 PolarHBondContact NH1-O 3.31Å; R368-D491 PolarHBondContact NH1-O 2.97Å; R368-D491 VanDerWaalsContact NH1-O 3.1Å
369	S	76.4	Confident	80.3	Confident	126 Å²	126	58.3 Å²	58.3	88%	0.881	33%	0.33	S	S	*	.			trans	-81.7	106.3	163.2	-179.1	0	0	0	0	106.9
370	V	80.6	Confident	77.9	Confident	10 Å²	10	62.5 Å²	62.5	6%	0.061	35%	0.353	C	S	.	.			trans	-106	129.7	178.8	-168.1	0	0	0	0	108.7	H360 A363 N364 R368 L490	H360-V370 PolarHBondContact CE1-O 3.39Å; H360-V370 PolarHBondContact ND1-O 3.34Å; A363-V370 HydrophobicContact CB-CB 4.39Å; A363-V370 HydrophobicContact CB-CG2 4.01Å; N364-V370 PolarHBondContact OD1-N 2.96Å; R368-V370 HydrophobicContact CB-CG2 3.86Å; R368-V370 PolarHBondContact O-N 3Å; V370-L490 HydrophobicContact CG1-CD2 3.61Å; V370-L490 HydrophobicContact CG1-CG 4.41Å
371	P	80	Confident	75.2	Confident	63 Å²	63	62.3 Å²	62.3	41%	0.409	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-59.2	149.1	178.1	-25	34.6	0	0	0	112.9	Y445	P371-Y445 PolarHBondContact O-OH 2.69Å
372	T	89.2	Confident	72.6	Confident	68 Å²	68	63.6 Å²	63.6	42%	0.417	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-75.3	153.4	174.2	51.2	0	0	0	0	111.8	H360 Q374	H360-T372 WeakPolarHBondContact CE1-CG2 3.4Å; H360-T372 WeakPolarHBondContact NE2-CG2 3.43Å; T372-Q374 PolarHBondContact O-N 2.72Å; T372-Q374 PolarHBondContact O-NE2 3.5Å; T372-Q374 PolarHBondContact OG1-NE2 2.99Å; T372-Q374 VanDerWaalsContact OG1-NE2 3.13Å
373	Y	91.8	Very high	70.2	Confident	20 Å²	20	64.9 Å²	64.9	8%	0.078	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-54.4	130.9	170.4	174	-114.4	0	0	0	111.5	D348 M356 D442 Y445 R446	D348-Y373 VanDerWaalsContact OD1-CE1 3.26Å; D348-Y373 WeakPolarHBondContact OD1-CE1 3.24Å; D348-Y373 PolarHBondContact OD1-OH 3.38Å; M356-Y373 HydrophobicContact CG-CD1 4.24Å; M356-Y373 HydrophobicContact CG-CG 4.41Å; Y373-D442 WeakPolarHBondContact CA-OD1 3.19Å; Y373-D442 HydrophobicContact CD2-CB 3.9Å; Y373-D442 VanDerWaalsContact CD2-CG 3.47Å; Y373-D442 VanDerWaalsContact CD2-OD1 3.32Å; Y373-D442 WeakPolarHBondContact CD2-OD1 3.4Å; Y373-D442 HydrophobicContact CE2-CB 3.89Å; Y373-Y445 HydrophobicContact CD2-CG 4.35Å; Y373-R446 HydrophobicContact CE2-CG 4.07Å
374	Q	88.8	Confident	67.5	Low	91 Å²	91	67.9 Å²	67.9	43%	0.425	38%	0.379	S	S	.	.			trans	-107.2	-18.7	-175.8	-61.4	-61.5	-46.2	0	0	114	R61 T372 L376 M438 D442	R61-Q374 PolarHBondContact NH1-O 3.38Å; R61-Q374 VanDerWaalsContact NH1-O 3.1Å; T372-Q374 PolarHBondContact O-N 2.72Å; T372-Q374 PolarHBondContact O-NE2 3.5Å; T372-Q374 PolarHBondContact OG1-NE2 2.99Å; T372-Q374 VanDerWaalsContact OG1-NE2 3.13Å; Q374-L376 HydrophobicContact CB-CD1 4.12Å; Q374-L376 HydrophobicContact CB-CG 4.07Å; Q374-M438 HydrophobicContact CG-CE 4.02Å; Q374-D442 WeakPolarHBondContact CA-OD2 3.2Å; Q374-D442 PolarHBondContact N-OD1 3.15Å; Q374-D442 PolarHBondContact N-OD2 3.38Å
375	G	86.9	Confident	64.9	Low	14 Å²	14	68.2 Å²	68.2	14%	0.144	40%	0.395	C	S	.	.			trans	84.1	28.2	-177.5	0	0	0	0	0	114.5	F377 D442	G375-F377 WeakPolarHBondContact O-CD2 3.45Å; G375-D442 PolarHBondContact N-OD2 2.88Å
376	L	83.4	Confident	62.2	Low	54 Å²	54	73.6 Å²	73.6	28%	0.283	41%	0.411	S	S	.	.			trans	-88.3	140.5	-178.2	-63.6	171.4	0	0	0	112.3	Q374 M438 D442 R446	Q374-L376 HydrophobicContact CB-CD1 4.12Å; Q374-L376 HydrophobicContact CB-CG 4.07Å; L376-M438 HydrophobicContact CD1-CB 4.2Å; L376-M438 HydrophobicContact CD1-CE 3.75Å; L376-D442 PolarHBondContact N-OD2 3.47Å; L376-R446 PolarHBondContact O-NH1 3.27Å; L376-R446 PolarHBondContact O-NH2 3.06Å; L376-R446 VanDerWaalsContact O-NH2 3.09Å
377	F	78.9	Confident	60.3	Low	22 Å²	22	78 Å²	78	10%	0.096	43%	0.428	C	S	.	.			trans	-127.8	151.6	178.9	-68.2	-85.7	0	0	0	111.5	D161 R162 S345 Y347 G375 W439	D161-F377 WeakPolarHBondContact O-CE1 3.5Å; R162-F377 HydrophobicContact CB-CZ 4.45Å; R162-F377 HydrophobicContact CG-CD1 4.17Å; R162-F377 HydrophobicContact CG-CD2 4.1Å; R162-F377 HydrophobicContact CG-CE1 4.06Å; R162-F377 HydrophobicContact CG-CE2 3.97Å; R162-F377 HydrophobicContact CG-CG 4.2Å; R162-F377 HydrophobicContact CG-CZ 3.95Å; S345-F377 WeakPolarHBondContact OG-CZ 3.43Å; Y347-F377 HydrophobicContact CD2-CZ 4.34Å; G375-F377 WeakPolarHBondContact O-CD2 3.45Å; F377-W439 WeakPolarHBondContact O-CZ2 3.41Å
378	L	67	Low	58.9	Low	48 Å²	48	79.5 Å²	79.5	25%	0.251	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-87.4	116.5	173.3	-96.6	139.2	0	0	0	110	N380 L398 W439	L378-N380 PolarHBondContact O-N 2.83Å; L378-L398 HydrophobicContact CD2-CD1 3.77Å; L378-L398 HydrophobicContact CD2-CD2 4.1Å; L378-L398 HydrophobicContact CD2-CG 3.61Å; L378-W439 HydrophobicContact CB-CE3 4.37Å; L378-W439 HydrophobicContact CB-CZ3 4.18Å; L378-W439 HydrophobicContact CD1-CB 4.35Å; L378-W439 HydrophobicContact CD1-CD2 4.31Å; L378-W439 HydrophobicContact CD1-CE3 3.62Å; L378-W439 HydrophobicContact CD1-CZ3 4.18Å; L378-W439 HydrophobicContact CD2-CE3 3.36Å; L378-W439 HydrophobicContact CD2-CH2 4.08Å; L378-W439 HydrophobicContact CD2-CZ3 3.05Å; L378-W439 HydrophobicContact CG-CD2 3.97Å; L378-W439 HydrophobicContact CG-CE3 3.13Å; L378-W439 HydrophobicContact CG-CH2 4.03Å; L378-W439 HydrophobicContact CG-CZ3 3.19Å
379	S	50.8	Low	57.2	Low	17 Å²	17	80.8 Å²	80.8	12%	0.119	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-70.4	122.5	170	17.6	0	0	0	0	110.3	P381 E395	S379-P381 WeakPolarHBondContact O-CD 3.01Å; S379-E395 WeakPolarHBondContact OG-CB 3.19Å
380	N	44.8	Very low	54.9	Low	88 Å²	88	82.7 Å²	82.7	47%	0.471	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-71.1	119.3	-171.9	-156.2	-9.9	0	0	0	110.4	L378 L382 Q383	L378-N380 PolarHBondContact O-N 2.83Å; N380-L382 PolarHBondContact O-N 3.17Å; N380-Q383 PolarHBondContact O-N 3.37Å
381	P	34.8	Very low	52.4	Low	40 Å²	40	91.3 Å²	91.3	26%	0.26	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-8.5	-172.3	26.1	-37.1	0	0	0	115.1	S379 Q383 L398	S379-P381 WeakPolarHBondContact O-CD 3.01Å; P381-Q383 VanDerWaalsContact C-N 3.32Å; P381-L398 HydrophobicContact CB-CB 4.46Å; P381-L398 HydrophobicContact CG-CB 3.97Å
382	L	37.3	Very low	50	Low	103 Å²	103	94.9 Å²	94.9	54%	0.539	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	2.9	-178.7	-74.2	166.2	0	0	0	114.4	N380 L612	N380-L382 PolarHBondContact O-N 3.17Å; L382-L612 HydrophobicContact CD1-CD1 3.63Å; L382-L612 HydrophobicContact CD1-CD2 4.02Å; L382-L612 HydrophobicContact CD1-CG 4.04Å
383	Q	38	Very low	47.3	Very low	116 Å²	116	99.5 Å²	99.5	54%	0.542	52%	0.516	S	S	.	.	S	Bend	trans	-103.2	-11.3	176.9	-74.3	175.7	7.4	0	0	114.3	S286 N380 P381 G385	S286-Q383 VanDerWaalsContact CB-NE2 3.25Å; S286-Q383 PolarHBondContact OG-NE2 3.18Å; S286-Q383 PolarHBondContact OG-OE1 3.15Å; N380-Q383 PolarHBondContact O-N 3.37Å; P381-Q383 VanDerWaalsContact C-N 3.32Å; Q383-G385 PolarHBondContact O-N 3.43Å
384	D	30.4	Very low	44.7	Very low	66 Å²	66	103.1 Å²	103.1	35%	0.353	54%	0.544	S	S	.	.			trans	-95.4	102	176.5	-71.1	-26.1	0	0	0	110.6	Q57 T397	Q57-D384 PolarHBondContact NE2-OD1 2.96Å; D384-T397 VanDerWaalsContact OD2-CG2 3.3Å; D384-T397 WeakPolarHBondContact OD2-CG2 3.23Å
385	G	29.5	Very low	42.5	Very low	61 Å²	61	101.3 Å²	101.3	63%	0.629	54%	0.536	S	S	*	.			trans	-56.1	137	148.9	0	0	0	0	0	108.6	Q383 I387	Q383-G385 PolarHBondContact O-N 3.43Å; G385-I387 PolarHBondContact O-N 2.78Å; G385-I387 VanDerWaalsContact O-N 3.17Å
386	E	26	Very low	40.4	Very low	199 Å²	199	103.4 Å²	103.4	93%	0.93	54%	0.543	S	S	*	.	S	Bend	trans	-28.5	109.7	-176.1	-64.1	179.5	158.1	0	0	115.2
387	I	30.5	Very low	38.4	Very low	158 Å²	158	102 Å²	102	81%	0.81	54%	0.537	S	S	*	.			trans	-132.6	138.2	165.6	-61.3	179.2	0	0	0	111.6	G385	G385-I387 PolarHBondContact O-N 2.78Å; G385-I387 VanDerWaalsContact O-N 3.17Å
388	K	27.9	Very low	36.6	Very low	196 Å²	196	102.4 Å²	102.4	85%	0.852	54%	0.54	S	S	*	.			trans	-64.7	145.1	-174.9	-68.5	173.3	175.8	176.2	0	112.5	D390	K388-D390 PolarHBondContact O-N 3.28Å
389	T	27.8	Very low	35.2	Very low	137 Å²	137	103.3 Å²	103.3	84%	0.84	55%	0.55	S	S	*	.			trans	-61.3	123.4	175.2	52.4	0	0	0	0	112
390	D	27.7	Very low	34.7	Very low	165 Å²	165	104.6 Å²	104.6	88%	0.882	56%	0.559	S	S	*	*			trans	-134	146.3	150.5	-120.7	-24.8	0	0	0	110.6	K388 D392	K388-D390 PolarHBondContact O-N 3.28Å; D390-D392 PolarHBondContact O-N 3.21Å
391	K	29.5	Very low	34.4	Very low	192 Å²	192	101.3 Å²	101.3	84%	0.835	54%	0.542	S	S	*	.			trans	-85.1	104.6	-169.6	-69.5	174.3	176.6	176.7	0	109.9
392	D	29.2	Very low	34.7	Very low	138 Å²	138	103.7 Å²	103.7	74%	0.738	55%	0.545	S	S	*	.			trans	171.9	134.5	131.9	-91.3	-25.5	0	0	0	111.8	D390	D390-D392 PolarHBondContact O-N 3.21Å
393	H	31.9	Very low	34.8	Very low	165 Å²	165	104.4 Å²	104.4	76%	0.764	55%	0.55	S	S	*	.	S	Bend	trans	86.7	120.5	161.5	-54.4	-52.1	0	0	0	123.3	E395	H393-E395 PolarHBondContact O-N 3.11Å
394	S	38.2	Very low	34.9	Very low	95 Å²	95	105.9 Å²	105.9	66%	0.664	55%	0.554	S	S	*	*	S	Bend	trans	55.5	-12	149	57.7	0	0	0	0	125.2
395	E	41.8	Very low	35.4	Very low	54 Å²	54	103.9 Å²	103.9	25%	0.252	54%	0.543	S	S	.	.			trans	-131.3	102.6	175.6	-78.9	-168.3	179.7	0	0	111.4	R162 S379 H393	R162-E395 IonicContact NH2-OE1 3.02Å; R162-E395 PolarHBondContact NH2-OE1 3.12Å; S379-E395 WeakPolarHBondContact OG-CB 3.19Å; H393-E395 PolarHBondContact O-N 3.11Å
396	I	43.2	Very low	35.8	Very low	57 Å²	57	105 Å²	105	29%	0.292	54%	0.542	S	S	.	.			trans	-95	116.4	175.7	-58.9	172	0	0	0	108.2	S400 L401 L435 W439	I396-S400 WeakPolarHBondContact CG2-OG 3.16Å; I396-L401 HydrophobicContact CD1-CD1 4.46Å; I396-L401 HydrophobicContact CG2-CB 3.94Å; I396-L401 HydrophobicContact CG2-CD1 3.74Å; I396-L401 HydrophobicContact CG2-CG 4.42Å; I396-L435 HydrophobicContact CD1-CD1 4.34Å; I396-W439 HydrophobicContact CB-CH2 4.5Å
397	T	42.2	Very low	36.1	Very low	24 Å²	24	98.5 Å²	98.5	15%	0.147	53%	0.528	C	S	.	.			trans	-72	139.4	171.3	54.3	0	0	0	0	110.9	D384 S399 S400 L401	D384-T397 VanDerWaalsContact OD2-CG2 3.3Å; D384-T397 WeakPolarHBondContact OD2-CG2 3.23Å; T397-S399 PolarHBondContact O-N 2.97Å; T397-S399 VanDerWaalsContact O-N 3.11Å; T397-S400 PolarHBondContact O-N 3.15Å; T397-S400 PolarHBondContact O-OG 3.32Å; T397-S400 WeakPolarHBondContact OG1-CB 3.47Å; T397-S400 PolarHBondContact OG1-OG 3.29Å; T397-L401 PolarHBondContact O-N 3.33Å
398	L	41	Very low	36	Very low	32 Å²	32	100.1 Å²	100.1	17%	0.168	53%	0.529	C	S	.	.	H	α-helix	trans	-52.8	-34.9	177.7	-88.6	165.5	0	0	0	112.8	L378 P381 L401 W402	L378-L398 HydrophobicContact CD2-CD1 3.77Å; L378-L398 HydrophobicContact CD2-CD2 4.1Å; L378-L398 HydrophobicContact CD2-CG 3.61Å; P381-L398 HydrophobicContact CB-CB 4.46Å; P381-L398 HydrophobicContact CG-CB 3.97Å; L398-L401 PolarHBondContact O-N 3.2Å; L398-W402 VanDerWaalsContact O-CB 3.31Å; L398-W402 WeakPolarHBondContact O-CB 3.38Å; L398-W402 VanDerWaalsContact O-CD1 3.25Å; L398-W402 PolarHBondContact O-N 3.38Å
399	S	36.4	Very low	36	Very low	66 Å²	66	96.3 Å²	96.3	46%	0.462	53%	0.528	S	S	.	.	H	α-helix	trans	-64.9	-39.7	177.4	-151.6	0	0	0	0	112	T397 N403	T397-S399 PolarHBondContact O-N 2.97Å; T397-S399 VanDerWaalsContact O-N 3.11Å; S399-N403 WeakPolarHBondContact O-CB 3.12Å; S399-N403 VanDerWaalsContact O-CG 3.23Å; S399-N403 PolarHBondContact O-N 3.27Å; S399-N403 PolarHBondContact O-ND2 2.95Å; S399-N403 VanDerWaalsContact O-ND2 3.16Å
400	S	40.2	Very low	35.9	Very low	44 Å²	44	95.1 Å²	95.1	31%	0.308	52%	0.524	S	S	.	.	H	α-helix	trans	-72.1	-35.2	176.2	78.1	0	0	0	0	112.9	I396 T397 K404	I396-S400 WeakPolarHBondContact CG2-OG 3.16Å; T397-S400 PolarHBondContact O-N 3.15Å; T397-S400 PolarHBondContact O-OG 3.32Å; T397-S400 WeakPolarHBondContact OG1-CB 3.47Å; T397-S400 PolarHBondContact OG1-OG 3.29Å; S400-K404 PolarHBondContact O-N 3.28Å
401	L	38.5	Very low	35.7	Very low	20 Å²	20	93 Å²	93	11%	0.105	52%	0.523	C	S	.	.	H	α-helix	trans	-66.5	-45.2	174.9	-160	80.1	0	0	0	110.3	I396 T397 L398 K404 I405 M431 I436	I396-L401 HydrophobicContact CD1-CD1 4.46Å; I396-L401 HydrophobicContact CG2-CB 3.94Å; I396-L401 HydrophobicContact CG2-CD1 3.74Å; I396-L401 HydrophobicContact CG2-CG 4.42Å; T397-L401 PolarHBondContact O-N 3.33Å; L398-L401 PolarHBondContact O-N 3.2Å; L401-K404 PolarHBondContact O-N 3.2Å; L401-I405 HydrophobicContact CG-CD1 4.34Å; L401-I405 WeakPolarHBondContact O-CD1 3.26Å; L401-I405 VanDerWaalsContact O-CG1 3.26Å; L401-I405 WeakPolarHBondContact O-CG1 3.12Å; L401-I405 PolarHBondContact O-N 2.97Å; L401-M431 HydrophobicContact CD1-CE 3.85Å; L401-M431 HydrophobicContact CD1-SD 3.75Å; L401-M431 HydrophobicContact CG-SD 4.28Å; L401-I436 HydrophobicContact CD2-CD1 4.11Å; L401-I436 HydrophobicContact CD2-CG1 4.32Å
402	W	40.6	Very low	35.5	Very low	90 Å²	90	89.3 Å²	89.3	34%	0.341	52%	0.521	S	S	.	.	H	α-helix	trans	-71.9	-33.3	-179.7	-87.2	109.5	0	0	0	114.5	L398 K404 I405 S406 R577	L398-W402 VanDerWaalsContact O-CB 3.31Å; L398-W402 WeakPolarHBondContact O-CB 3.38Å; L398-W402 VanDerWaalsContact O-CD1 3.25Å; L398-W402 PolarHBondContact O-N 3.38Å; W402-K404 VanDerWaalsContact C-N 3.27Å; W402-K404 PolarHBondContact O-N 3.4Å; W402-I405 HydrophobicContact CD2-CD1 4.28Å; W402-I405 HydrophobicContact CE3-CB 4Å; W402-I405 HydrophobicContact CE3-CD1 4.12Å; W402-I405 HydrophobicContact CE3-CG2 3.78Å; W402-I405 HydrophobicContact CZ3-CB 4.38Å; W402-I405 HydrophobicContact CZ3-CD1 4.47Å; W402-I405 HydrophobicContact CZ3-CG2 3.66Å; W402-I405 PolarHBondContact O-N 2.95Å; W402-I405 VanDerWaalsContact O-N 3.14Å; W402-S406 PolarHBondContact O-N 2.79Å; W402-S406 VanDerWaalsContact O-N 3.12Å; W402-S406 PolarHBondContact O-OG 3.27Å; W402-R577 VanDerWaalsContact CE3-NH1 3.27Å
403	N	40	Very low	35.3	Very low	117 Å²	117	87.2 Å²	87.2	63%	0.626	52%	0.523	S	S	*	.	H	α-helix	trans	-66.5	-28.2	173.5	-77.5	-26.9	0	0	0	112.5	S399 S406	S399-N403 WeakPolarHBondContact O-CB 3.12Å; S399-N403 VanDerWaalsContact O-CG 3.23Å; S399-N403 PolarHBondContact O-N 3.27Å; S399-N403 PolarHBondContact O-ND2 2.95Å; S399-N403 VanDerWaalsContact O-ND2 3.16Å; N403-S406 PolarHBondContact O-OG 3.23Å
404	K	40.9	Very low	34.9	Very low	147 Å²	147	86.1 Å²	86.1	64%	0.639	53%	0.528	S	S	*	.	H	α-helix	trans	-73.3	-31.7	170.4	-78.7	176.3	178.4	171.8	0	112.7	S400 L401 W402 M431	S400-K404 PolarHBondContact O-N 3.28Å; L401-K404 PolarHBondContact O-N 3.2Å; W402-K404 VanDerWaalsContact C-N 3.27Å; W402-K404 PolarHBondContact O-N 3.4Å; K404-M431 HydrophobicContact CB-CG 4.33Å; K404-M431 HydrophobicContact CB-SD 3.51Å; K404-M431 VanDerWaalsContact CB-SD 3.51Å; K404-M431 HydrophobicContact CD-CE 3.89Å; K404-M431 HydrophobicContact CD-SD 3.46Å; K404-M431 WeakPolarHBondContact CD-SD 3.48Å; K404-M431 HydrophobicContact CG-SD 4.13Å
405	I	40.1	Very low	34.1	Very low	24 Å²	24	86.6 Å²	86.6	12%	0.123	53%	0.53	C	S	.	.	H	α-helix	trans	-75.7	-30.9	-177.6	-69.1	165	0	0	0	112.5	L401 W402 G407 F429 M431	L401-I405 HydrophobicContact CG-CD1 4.34Å; L401-I405 WeakPolarHBondContact O-CD1 3.26Å; L401-I405 VanDerWaalsContact O-CG1 3.26Å; L401-I405 WeakPolarHBondContact O-CG1 3.12Å; L401-I405 PolarHBondContact O-N 2.97Å; W402-I405 HydrophobicContact CD2-CD1 4.28Å; W402-I405 HydrophobicContact CE3-CB 4Å; W402-I405 HydrophobicContact CE3-CD1 4.12Å; W402-I405 HydrophobicContact CE3-CG2 3.78Å; W402-I405 HydrophobicContact CZ3-CB 4.38Å; W402-I405 HydrophobicContact CZ3-CD1 4.47Å; W402-I405 HydrophobicContact CZ3-CG2 3.66Å; W402-I405 PolarHBondContact O-N 2.95Å; W402-I405 VanDerWaalsContact O-N 3.14Å; I405-G407 VanDerWaalsContact C-N 3.26Å; I405-G407 PolarHBondContact O-N 2.9Å; I405-F429 HydrophobicContact CG2-CB 4Å; I405-F429 HydrophobicContact CG2-CD1 3.47Å; I405-F429 VanDerWaalsContact CG2-CD1 3.47Å; I405-F429 HydrophobicContact CG2-CE1 4.08Å; I405-F429 HydrophobicContact CG2-CG 3.77Å; I405-M431 HydrophobicContact CG1-CB 4.47Å; I405-M431 HydrophobicContact CG1-CG 4.35Å
406	S	37.9	Very low	33.2	Very low	85 Å²	85	88.6 Å²	88.6	59%	0.594	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	1.7	-174.9	34.1	0	0	0	0	115.1	W402 N403	W402-S406 PolarHBondContact O-N 2.79Å; W402-S406 VanDerWaalsContact O-N 3.12Å; W402-S406 PolarHBondContact O-OG 3.27Å; N403-S406 PolarHBondContact O-OG 3.23Å
407	G	32.4	Very low	32.3	Very low	63 Å²	63	95.1 Å²	95.1	65%	0.649	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	0.5	-174.1	0	0	0	0	0	118.1	I405	I405-G407 VanDerWaalsContact C-N 3.26Å; I405-G407 PolarHBondContact O-N 2.9Å
408	K	28.8	Very low	31.4	Very low	191 Å²	191	99 Å²	99	83%	0.83	60%	0.604	S	S	*	*			trans	-141.5	108.4	-178.7	-69.7	-173.8	-179.9	177.1	0	113.6
409	S	27.5	Very low	30.6	Very low	117 Å²	117	106.1 Å²	106.1	82%	0.818	64%	0.636	S	S	*	*			trans	-97.8	129.6	166.6	61.3	0	0	0	0	110.9
410	S	25.3	Very low	30.2	Very low	111 Å²	111	110.1 Å²	110.1	78%	0.776	65%	0.651	S	S	*	*				162.6	134.7	127.2	61	0	0	0	0	114.7
411	S	24.7	Very low	29.4	Very low	121 Å²	121	111.9 Å²	111.9	85%	0.846	67%	0.669	S	S	*	*			trans	98.1	144.8	145.2	78.8	0	0	0	0	121.5
412	S	24.9	Very low	29	Very low	114 Å²	114	116.9 Å²	116.9	80%	0.797	70%	0.695	S	S	*	*			trans	-86.5	155.3	-160.2	50.6	0	0	0	0	117.2
413	A	24.4	Very low	28.6	Very low	95 Å²	95	117.6 Å²	117.6	79%	0.785	71%	0.706	S	S	*	*				158.3	124.9	116.4	0	0	0	0	0	116.6
414	V	23.7	Very low	28.1	Very low	141 Å²	141	118.1 Å²	118.1	86%	0.855	70%	0.704	S	S	*	*			trans	19.6	118	140.7	-171.2	0	0	0	0	123.7
415	C	22.1	Very low	27.8	Very low	105 Å²	105	113.7 Å²	113.7	71%	0.709	69%	0.692	S	S	*	*			trans	52	119.5	131.2	-147.5	0	0	0	0	124.2
416	S	23.4	Very low	27.4	Very low	97 Å²	97	118.5 Å²	118.5	68%	0.678	71%	0.709	S	S	*	*				157.1	143	97.9	65	0	0	0	0	116
417	K	23.2	Very low	27	Very low	194 Å²	194	121.8 Å²	121.8	84%	0.843	71%	0.712	S	S	*	*			trans	113.2	124.5	150.6	-66.2	-172	-179.6	176.6	0	120.9
418	S	23.4	Very low	26.9	Very low	105 Å²	105	125.3 Å²	125.3	73%	0.734	72%	0.716	S	S	*	*			trans	70.6	109.5	155.1	59.9	0	0	0	0	121.3
419	H	24.3	Very low	27	Very low	182 Å²	182	121 Å²	121	84%	0.843	70%	0.697	S	S	*	*	S	Bend	trans	42.7	122	146.7	-66.2	-76.1	0	0	0	119.7
420	L	27.1	Very low	27.2	Very low	149 Å²	149	123.7 Å²	123.7	78%	0.78	70%	0.703	S	S	*	*			trans	67.8	68.5	176.5	-68.8	145.1	0	0	0	114.2	E493	L420-E493 WeakPolarHBondContact CD2-OE2 3.24Å
421	A	24.8	Very low	27.9	Very low	82 Å²	82	121.1 Å²	121.1	68%	0.678	68%	0.679	S	S	*	*			trans	-131	106	164.9	0	0	0	0	0	109.3	D423	A421-D423 PolarHBondContact O-N 3.36Å
422	L	30.1	Very low	29.3	Very low	124 Å²	124	120.4 Å²	120.4	65%	0.649	67%	0.666	S	S	*	*			trans	-48.1	130.7	151	-86.8	152.4	0	0	0	107.8
423	D	32.3	Very low	31	Very low	106 Å²	106	118.5 Å²	118.5	57%	0.567	65%	0.647	S	S	*	*			trans	-53	141.8	-162.2	-141	-25.1	0	0	0	113.3	A421 S425	A421-D423 PolarHBondContact O-N 3.36Å; D423-S425 PolarHBondContact O-N 2.83Å
424	Q	29	Very low	33.1	Very low	127 Å²	127	119.4 Å²	119.4	59%	0.593	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-71.3	21.6	-170.5	-68.7	177.2	-35.5	0	0	114.5	W426	Q424-W426 VanDerWaalsContact C-N 3.33Å; Q424-W426 PolarHBondContact O-N 3.31Å
425	S	35.1	Very low	35.3	Very low	55 Å²	55	115.8 Å²	115.8	39%	0.385	61%	0.614	S	S	.	*	G	3₁₀ helix	trans	-75.6	-18.3	-176.1	58.3	0	0	0	0	114.2	D423	D423-S425 PolarHBondContact O-N 2.83Å
426	W	31	Very low	37.8	Very low	125 Å²	125	112.9 Å²	112.9	47%	0.473	59%	0.591	S	S	.	*	G	3₁₀ helix	trans	-95.3	-10.5	179.9	-67	78.6	0	0	0	114.3	Q424 N428	Q424-W426 VanDerWaalsContact C-N 3.33Å; Q424-W426 PolarHBondContact O-N 3.31Å; W426-N428 VanDerWaalsContact C-N 3.3Å; W426-N428 PolarHBondContact O-N 3.34Å
427	K	30.5	Very low	40.4	Very low	154 Å²	154	111.9 Å²	111.9	67%	0.67	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	-4.4	-170.4	-76.7	-171.4	175.3	-175.9	0	115.9
428	N	29.7	Very low	43.2	Very low	137 Å²	137	105.4 Å²	105.4	73%	0.733	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.6	14.2	-171.7	-78	-11.9	0	0	0	115.8	W426	W426-N428 VanDerWaalsContact C-N 3.3Å; W426-N428 PolarHBondContact O-N 3.34Å
429	F	31	Very low	46	Very low	99 Å²	99	101.5 Å²	101.5	43%	0.434	52%	0.521	S	S	.	.			trans	-126	127	179.6	-66.8	-76.8	0	0	0	112.8	I405 M431	I405-F429 HydrophobicContact CG2-CB 4Å; I405-F429 HydrophobicContact CG2-CD1 3.47Å; I405-F429 VanDerWaalsContact CG2-CD1 3.47Å; I405-F429 HydrophobicContact CG2-CE1 4.08Å; I405-F429 HydrophobicContact CG2-CG 3.77Å; F429-M431 PolarHBondContact O-N 3.31Å
430	N	31.8	Very low	49.1	Very low	175 Å²	175	94.7 Å²	94.7	94%	0.936	49%	0.489	S	S	*	.			trans	-98.6	70.1	-166.7	-143.7	2.3	0	0	0	110.6
431	M	40.2	Very low	52.1	Low	56 Å²	56	90 Å²	90	28%	0.276	46%	0.461	S	S	.	.	S	Bend	trans	-134.4	150.6	155.4	-83.4	-145.9	73.7	0	0	107.4	L401 K404 I405 F429 N433	L401-M431 HydrophobicContact CD1-CE 3.85Å; L401-M431 HydrophobicContact CD1-SD 3.75Å; L401-M431 HydrophobicContact CG-SD 4.28Å; K404-M431 HydrophobicContact CB-CG 4.33Å; K404-M431 HydrophobicContact CB-SD 3.51Å; K404-M431 VanDerWaalsContact CB-SD 3.51Å; K404-M431 HydrophobicContact CD-CE 3.89Å; K404-M431 HydrophobicContact CD-SD 3.46Å; K404-M431 WeakPolarHBondContact CD-SD 3.48Å; K404-M431 HydrophobicContact CG-SD 4.13Å; I405-M431 HydrophobicContact CG1-CB 4.47Å; I405-M431 HydrophobicContact CG1-CG 4.35Å; F429-M431 PolarHBondContact O-N 3.31Å; M431-N433 PolarHBondContact O-N 3.41Å
432	D	53.6	Low	55.3	Low	107 Å²	107	86.1 Å²	86.1	57%	0.572	43%	0.429	S	S	*	.			trans	-48.1	92.7	-168.5	-73.3	-35.6	0	0	0	114.4	D434 L435	D432-D434 PolarHBondContact O-N 3.06Å; D432-L435 HydrophobicContact CB-CB 4.47Å; D432-L435 HydrophobicContact CB-CD1 4.09Å; D432-L435 HydrophobicContact CB-CG 4.31Å; D432-L435 PolarHBondContact O-N 3.44Å
433	N	59.8	Low	58.3	Low	73 Å²	73	80.4 Å²	80.4	39%	0.39	40%	0.399	S	S	.	.	H	α-helix	trans	-51.4	-30.2	172.3	-76.2	-42.2	0	0	0	111.7	M431 L435 I436 D437	M431-N433 PolarHBondContact O-N 3.41Å; N433-L435 VanDerWaalsContact C-N 3.31Å; N433-L435 PolarHBondContact O-N 3.18Å; N433-I436 PolarHBondContact O-N 3.17Å; N433-D437 WeakPolarHBondContact O-CB 3.43Å; N433-D437 PolarHBondContact O-N 3.45Å
434	D	69.8	Low	61.2	Low	115 Å²	115	75.4 Å²	75.4	62%	0.615	37%	0.372	S	S	*	.	H	α-helix	trans	-58.2	-38.7	177.8	-66.8	-21.3	0	0	0	112.8	D432 M438	D432-D434 PolarHBondContact O-N 3.06Å; D434-M438 WeakPolarHBondContact O-CB 3.17Å; D434-M438 WeakPolarHBondContact O-CG 3.29Å; D434-M438 PolarHBondContact O-N 2.84Å
435	L	69.5	Low	64.4	Low	64 Å²	64	69.4 Å²	69.4	34%	0.335	34%	0.344	S	S	.	.	H	α-helix	trans	-70.2	-43.3	-179.8	-81.8	168.3	0	0	0	112.3	I396 D432 N433 D437 M438 W439	I396-L435 HydrophobicContact CD1-CD1 4.34Å; D432-L435 HydrophobicContact CB-CB 4.47Å; D432-L435 HydrophobicContact CB-CD1 4.09Å; D432-L435 HydrophobicContact CB-CG 4.31Å; D432-L435 PolarHBondContact O-N 3.44Å; N433-L435 VanDerWaalsContact C-N 3.31Å; N433-L435 PolarHBondContact O-N 3.18Å; L435-D437 VanDerWaalsContact C-N 3.32Å; L435-M438 WeakPolarHBondContact O-CB 3.25Å; L435-M438 PolarHBondContact O-N 2.9Å; L435-W439 VanDerWaalsContact O-CG 3.3Å; L435-W439 PolarHBondContact O-N 2.87Å
436	I	73.6	Confident	67.3	Low	44 Å²	44	66.9 Å²	66.9	23%	0.226	33%	0.327	C	S	.	.	H	α-helix	trans	-64	-43.2	176.6	-65.1	174.1	0	0	0	109.7	L401 N433 M438 W439 H440	L401-I436 HydrophobicContact CD2-CD1 4.11Å; L401-I436 HydrophobicContact CD2-CG1 4.32Å; N433-I436 PolarHBondContact O-N 3.17Å; I436-M438 VanDerWaalsContact C-N 3.31Å; I436-M438 PolarHBondContact O-N 3.14Å; I436-W439 PolarHBondContact O-N 2.78Å; I436-W439 VanDerWaalsContact O-N 3.13Å; I436-H440 VanDerWaalsContact CG2-CE1 3.49Å; I436-H440 WeakPolarHBondContact CG2-CE1 3.29Å; I436-H440 PolarHBondContact O-N 3.17Å
437	D	77.8	Confident	70.3	Confident	77 Å²	77	61.4 Å²	61.4	41%	0.412	31%	0.307	S	S	.	.	H	α-helix	trans	-64.2	-36.6	177.5	-73.1	-15.9	0	0	0	111.7	N433 L435 R441	N433-D437 WeakPolarHBondContact O-CB 3.43Å; N433-D437 PolarHBondContact O-N 3.45Å; L435-D437 VanDerWaalsContact C-N 3.32Å; D437-R441 WeakPolarHBondContact O-CB 3.39Å; D437-R441 VanDerWaalsContact O-CG 3.29Å; D437-R441 WeakPolarHBondContact O-CG 3.45Å; D437-R441 PolarHBondContact O-N 2.94Å; D437-R441 PolarHBondContact O-NH1 3.36Å
438	M	82.1	Confident	73.5	Confident	57 Å²	57	54.1 Å²	54.1	28%	0.281	28%	0.275	S	S	.	.	H	α-helix	trans	-61.4	-43.6	171.1	-74.6	172.4	79.1	0	0	111.8	Q374 L376 D434 L435 I436 R441 D442	Q374-M438 HydrophobicContact CG-CE 4.02Å; L376-M438 HydrophobicContact CD1-CB 4.2Å; L376-M438 HydrophobicContact CD1-CE 3.75Å; D434-M438 WeakPolarHBondContact O-CB 3.17Å; D434-M438 WeakPolarHBondContact O-CG 3.29Å; D434-M438 PolarHBondContact O-N 2.84Å; L435-M438 WeakPolarHBondContact O-CB 3.25Å; L435-M438 PolarHBondContact O-N 2.9Å; I436-M438 VanDerWaalsContact C-N 3.31Å; I436-M438 PolarHBondContact O-N 3.14Å; M438-R441 WeakPolarHBondContact O-CB 3.23Å; M438-R441 PolarHBondContact O-N 3.37Å; M438-D442 PolarHBondContact O-N 2.61Å
439	W	83.8	Confident	76.6	Confident	24 Å²	24	47.6 Å²	47.6	9%	0.091	24%	0.24	C	C	.	.	H	α-helix	trans	-67.7	-43	-178.1	-72.7	10.5	0	0	0	112.4	F377 L378 I396 L435 I436 R441 D442 T443	F377-W439 WeakPolarHBondContact O-CZ2 3.41Å; L378-W439 HydrophobicContact CB-CE3 4.37Å; L378-W439 HydrophobicContact CB-CZ3 4.18Å; L378-W439 HydrophobicContact CD1-CB 4.35Å; L378-W439 HydrophobicContact CD1-CD2 4.31Å; L378-W439 HydrophobicContact CD1-CE3 3.62Å; L378-W439 HydrophobicContact CD1-CZ3 4.18Å; L378-W439 HydrophobicContact CD2-CE3 3.36Å; L378-W439 HydrophobicContact CD2-CH2 4.08Å; L378-W439 HydrophobicContact CD2-CZ3 3.05Å; L378-W439 HydrophobicContact CG-CD2 3.97Å; L378-W439 HydrophobicContact CG-CE3 3.13Å; L378-W439 HydrophobicContact CG-CH2 4.03Å; L378-W439 HydrophobicContact CG-CZ3 3.19Å; I396-W439 HydrophobicContact CB-CH2 4.5Å; L435-W439 VanDerWaalsContact O-CG 3.3Å; L435-W439 PolarHBondContact O-N 2.87Å; I436-W439 PolarHBondContact O-N 2.78Å; I436-W439 VanDerWaalsContact O-N 3.13Å; W439-R441 VanDerWaalsContact C-N 3.33Å; W439-R441 PolarHBondContact O-N 3.07Å; W439-D442 PolarHBondContact O-N 3.5Å; W439-T443 WeakPolarHBondContact O-CB 3.26Å; W439-T443 PolarHBondContact O-N 3.44Å; W439-T443 PolarHBondContact O-OG1 3.2Å
440	H	88.7	Confident	79.8	Confident	38 Å²	38	42.9 Å²	42.9	18%	0.176	22%	0.219	C	C	.	.	H	α-helix	trans	-61.7	-41.4	172.6	-73	157.3	0	0	0	111.9	I436 T443 A444 T488 W608	I436-H440 VanDerWaalsContact CG2-CE1 3.49Å; I436-H440 WeakPolarHBondContact CG2-CE1 3.29Å; I436-H440 PolarHBondContact O-N 3.17Å; H440-T443 PolarHBondContact O-N 3.26Å; H440-A444 PolarHBondContact O-N 2.75Å; H440-T488 HydrophobicContact CB-CG2 4.16Å; H440-T488 WeakPolarHBondContact O-CG2 3.48Å; H440-W608 HydrophobicContact CB-CH2 4.24Å; H440-W608 HydrophobicContact CB-CZ2 3.67Å; H440-W608 AromaticContact CD2-CE2 3.84Å; H440-W608 AromaticContact CD2-NE1 3.77Å; H440-W608 AromaticContact CE1-NE1 3.84Å; H440-W608 AromaticContact CG-CE2 3.9Å; H440-W608 AromaticContact CG-CZ2 3.87Å; H440-W608 AromaticContact CG-NE1 3.82Å; H440-W608 AromaticContact ND1-NE1 3.86Å; H440-W608 AromaticContact NE2-CD1 3.95Å; H440-W608 AromaticContact NE2-NE1 3.79Å; H440-W608 PolarHBondContact NE2-O 3.24Å; H440-W608 VanDerWaalsContact NE2-O 3.14Å; H440-W608 WeakPolarHBondContact O-CH2 3.05Å
441	R	90.2	Very high	82.9	Confident	50 Å²	50	34.7 Å²	34.7	19%	0.189	18%	0.176	C	C	.	.	H	α-helix	trans	-59.3	-51.6	175.2	-80.2	-171.9	-59.8	-91.9	5.7	111.9	D437 M438 W439 T443 A444 Y445 T488	D437-R441 WeakPolarHBondContact O-CB 3.39Å; D437-R441 VanDerWaalsContact O-CG 3.29Å; D437-R441 WeakPolarHBondContact O-CG 3.45Å; D437-R441 PolarHBondContact O-N 2.94Å; D437-R441 PolarHBondContact O-NH1 3.36Å; M438-R441 WeakPolarHBondContact O-CB 3.23Å; M438-R441 PolarHBondContact O-N 3.37Å; W439-R441 VanDerWaalsContact C-N 3.33Å; W439-R441 PolarHBondContact O-N 3.07Å; R441-T443 VanDerWaalsContact C-N 3.29Å; R441-T443 PolarHBondContact O-N 2.9Å; R441-A444 WeakPolarHBondContact O-CB 3.28Å; R441-A444 PolarHBondContact O-N 3.04Å; R441-A444 VanDerWaalsContact O-N 3.11Å; R441-Y445 VanDerWaalsContact O-CD2 3.29Å; R441-Y445 WeakPolarHBondContact O-CD2 3.35Å; R441-Y445 PolarHBondContact O-N 2.82Å; R441-T488 HydrophobicContact CG-CG2 4.25Å
442	D	92.3	Very high	85.6	Confident	2 Å²	2	32 Å²	32	1%	0.011	16%	0.162	C	C	.	.	H	α-helix	trans	-63.2	-37.1	179.8	-84.4	8.9	0	0	0	112.2	Y373 Q374 G375 L376 M438 W439 Y445 R446	Y373-D442 WeakPolarHBondContact CA-OD1 3.19Å; Y373-D442 HydrophobicContact CD2-CB 3.9Å; Y373-D442 VanDerWaalsContact CD2-CG 3.47Å; Y373-D442 VanDerWaalsContact CD2-OD1 3.32Å; Y373-D442 WeakPolarHBondContact CD2-OD1 3.4Å; Y373-D442 HydrophobicContact CE2-CB 3.89Å; Q374-D442 WeakPolarHBondContact CA-OD2 3.2Å; Q374-D442 PolarHBondContact N-OD1 3.15Å; Q374-D442 PolarHBondContact N-OD2 3.38Å; G375-D442 PolarHBondContact N-OD2 2.88Å; L376-D442 PolarHBondContact N-OD2 3.47Å; M438-D442 PolarHBondContact O-N 2.61Å; W439-D442 PolarHBondContact O-N 3.5Å; D442-Y445 WeakPolarHBondContact O-CB 3.33Å; D442-Y445 PolarHBondContact O-N 2.9Å; D442-R446 WeakPolarHBondContact O-CG 3.32Å; D442-R446 PolarHBondContact O-N 2.95Å
443	T	92.4	Very high	87.7	Confident	4 Å²	4	27.3 Å²	27.3	3%	0.025	14%	0.137	C	C	.	.	H	α-helix	trans	-62.6	-43.2	172.9	-56.8	0	0	0	0	111.2	Y160 W439 H440 R441 Y445 R446 V447 W608	Y160-T443 HydrophobicContact CD1-CG2 4.17Å; Y160-T443 HydrophobicContact CE1-CG2 3.8Å; Y160-T443 HydrophobicContact CE2-CG2 4.42Å; W439-T443 WeakPolarHBondContact O-CB 3.26Å; W439-T443 PolarHBondContact O-N 3.44Å; W439-T443 PolarHBondContact O-OG1 3.2Å; H440-T443 PolarHBondContact O-N 3.26Å; R441-T443 VanDerWaalsContact C-N 3.29Å; R441-T443 PolarHBondContact O-N 2.9Å; T443-Y445 PolarHBondContact O-N 3.45Å; T443-R446 PolarHBondContact O-N 3.39Å; T443-R446 PolarHBondContact OG1-NH2 2.9Å; T443-V447 HydrophobicContact CG2-CG2 4.26Å; T443-V447 WeakPolarHBondContact O-CB 3.3Å; T443-V447 VanDerWaalsContact O-CG2 3.3Å; T443-V447 WeakPolarHBondContact O-CG2 3.4Å; T443-V447 PolarHBondContact O-N 3.41Å; T443-W608 HydrophobicContact CG2-CE3 4.48Å; T443-W608 HydrophobicContact CG2-CZ3 4.05Å
444	A	93.4	Very high	89.4	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-63	-42.3	176.6	0	0	0	0	0	112.8	H440 R441 R446 V447 L448 A484 T488 L490 W608	H440-A444 PolarHBondContact O-N 2.75Å; R441-A444 WeakPolarHBondContact O-CB 3.28Å; R441-A444 PolarHBondContact O-N 3.04Å; R441-A444 VanDerWaalsContact O-N 3.11Å; A444-R446 VanDerWaalsContact C-N 3.34Å; A444-R446 PolarHBondContact O-N 2.96Å; A444-V447 PolarHBondContact O-N 2.82Å; A444-L448 VanDerWaalsContact O-CB 3.29Å; A444-L448 WeakPolarHBondContact O-CB 3.42Å; A444-L448 VanDerWaalsContact O-CG 3.3Å; A444-L448 WeakPolarHBondContact O-CG 3.37Å; A444-L448 PolarHBondContact O-N 3.33Å; A444-A484 HydrophobicContact CB-CB 3.9Å; A444-A484 WeakPolarHBondContact CB-O 3.43Å; A444-T488 HydrophobicContact CB-CG2 3.68Å; A444-T488 WeakPolarHBondContact CB-OG1 3.24Å; A444-L490 HydrophobicContact CB-CD1 3.83Å; A444-W608 HydrophobicContact CB-CH2 4.14Å
445	Y	95.7	Very high	90.7	Very high	1 Å²	1	18.3 Å²	18.3	0%	0.004	9%	0.089	C	C	.	.	H	α-helix	trans	-53.7	-51.4	172.6	-92.5	-71.9	0	0	0	110.9	M356 I359 H360 P371 Y373 R441 D442 T443 L448 V449 L490	M356-Y445 HydrophobicContact CB-CD1 4.16Å; M356-Y445 VanDerWaalsContact CE-C 3.47Å; M356-Y445 WeakPolarHBondContact CE-O 3.2Å; M356-Y445 HydrophobicContact CG-CD1 4.46Å; M356-Y445 VanDerWaalsContact SD-C 3.51Å; M356-Y445 WeakPolarHBondContact SD-CB 3.48Å; M356-Y445 HydrophobicContact SD-CD1 3.63Å; M356-Y445 HydrophobicContact SD-CG 4.01Å; M356-Y445 VanDerWaalsContact SD-O 3.35Å; I359-Y445 HydrophobicContact CB-CD1 4.08Å; I359-Y445 HydrophobicContact CB-CE1 3.77Å; I359-Y445 HydrophobicContact CD1-CD1 4.17Å; I359-Y445 HydrophobicContact CG2-CD1 3.7Å; I359-Y445 HydrophobicContact CG2-CE1 3.35Å; H360-Y445 HydrophobicContact CB-CE1 4.37Å; P371-Y445 PolarHBondContact O-OH 2.69Å; Y373-Y445 HydrophobicContact CD2-CG 4.35Å; R441-Y445 VanDerWaalsContact O-CD2 3.29Å; R441-Y445 WeakPolarHBondContact O-CD2 3.35Å; R441-Y445 PolarHBondContact O-N 2.82Å; D442-Y445 WeakPolarHBondContact O-CB 3.33Å; D442-Y445 PolarHBondContact O-N 2.9Å; T443-Y445 PolarHBondContact O-N 3.45Å; Y445-L448 PolarHBondContact O-N 2.75Å; Y445-V449 PolarHBondContact O-N 3.28Å; Y445-L490 HydrophobicContact CD2-CD1 4.18Å; Y445-L490 HydrophobicContact CD2-CD2 4.49Å; Y445-L490 HydrophobicContact CE1-CD2 4.17Å; Y445-L490 HydrophobicContact CE2-CD1 4.19Å; Y445-L490 HydrophobicContact CE2-CD2 3.71Å; Y445-L490 HydrophobicContact CG-CD1 4.45Å; Y445-L490 WeakPolarHBondContact OH-CD2 3.37Å
446	R	95.8	Very high	92	Very high	3 Å²	3	15.3 Å²	15.3	1%	0.011	7%	0.073	C	C	.	.	H	α-helix	trans	-63.2	-46.7	179.6	-69.3	-173.5	-68.5	-101.1	0.9	113.2	G159 Y347 M356 Y373 L376 D442 T443 A444 L448 V449 D450	G159-R446 VanDerWaalsContact O-CZ 3.28Å; G159-R446 PolarHBondContact O-NE 3.24Å; G159-R446 PolarHBondContact O-NH2 3.36Å; Y347-R446 HydrophobicContact CD1-CB 3.67Å; Y347-R446 HydrophobicContact CD1-CG 3.53Å; Y347-R446 HydrophobicContact CD2-CG 4.21Å; Y347-R446 HydrophobicContact CE1-CB 3.66Å; Y347-R446 HydrophobicContact CE1-CG 4.01Å; Y347-R446 HydrophobicContact CG-CB 4.21Å; Y347-R446 VanDerWaalsContact CG-CD 3.47Å; Y347-R446 HydrophobicContact CG-CG 3.61Å; M356-R446 HydrophobicContact CE-CB 4.36Å; M356-R446 HydrophobicContact CE-CG 3.94Å; Y373-R446 HydrophobicContact CE2-CG 4.07Å; L376-R446 PolarHBondContact O-NH1 3.27Å; L376-R446 PolarHBondContact O-NH2 3.06Å; L376-R446 VanDerWaalsContact O-NH2 3.09Å; D442-R446 WeakPolarHBondContact O-CG 3.32Å; D442-R446 PolarHBondContact O-N 2.95Å; T443-R446 PolarHBondContact O-N 3.39Å; T443-R446 PolarHBondContact OG1-NH2 2.9Å; A444-R446 VanDerWaalsContact C-N 3.34Å; A444-R446 PolarHBondContact O-N 2.96Å; R446-L448 PolarHBondContact O-N 2.98Å; R446-V449 PolarHBondContact O-N 3Å; R446-D450 WeakPolarHBondContact O-CB 3.48Å; R446-D450 PolarHBondContact O-N 2.84Å
447	V	95.5	Very high	93	Very high	10 Å²	10	13.2 Å²	13.2	6%	0.061	6%	0.062	C	C	.	.	H	α-helix	trans	-62.2	-42.4	177.8	171.3	0	0	0	0	111	T443 A444 H451 A481 A484	T443-V447 HydrophobicContact CG2-CG2 4.26Å; T443-V447 WeakPolarHBondContact O-CB 3.3Å; T443-V447 VanDerWaalsContact O-CG2 3.3Å; T443-V447 WeakPolarHBondContact O-CG2 3.4Å; T443-V447 PolarHBondContact O-N 3.41Å; A444-V447 PolarHBondContact O-N 2.82Å; V447-H451 VanDerWaalsContact O-CB 3.23Å; V447-H451 WeakPolarHBondContact O-CB 3.47Å; V447-H451 PolarHBondContact O-N 2.94Å; V447-A481 HydrophobicContact CG1-CB 4.49Å; V447-A484 HydrophobicContact CB-CB 4.48Å; V447-A484 HydrophobicContact CG1-CB 4.32Å
448	L	95.9	Very high	93.6	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-60.9	-50.2	177.5	-82.9	168.7	0	0	0	111.8	I359 A444 Y445 R446 S452 A481 L490 L503 L504 L507	I359-L448 HydrophobicContact CD1-CB 3.76Å; I359-L448 HydrophobicContact CD1-CD1 4.2Å; I359-L448 HydrophobicContact CG2-CD1 4.08Å; A444-L448 VanDerWaalsContact O-CB 3.29Å; A444-L448 WeakPolarHBondContact O-CB 3.42Å; A444-L448 VanDerWaalsContact O-CG 3.3Å; A444-L448 WeakPolarHBondContact O-CG 3.37Å; A444-L448 PolarHBondContact O-N 3.33Å; Y445-L448 PolarHBondContact O-N 2.75Å; R446-L448 PolarHBondContact O-N 2.98Å; L448-S452 WeakPolarHBondContact O-CB 3.46Å; L448-S452 PolarHBondContact O-N 3.04Å; L448-S452 PolarHBondContact O-OG 3.41Å; L448-A481 HydrophobicContact CD2-CB 4.31Å; L448-L490 HydrophobicContact CD1-CD1 3.92Å; L448-L503 HydrophobicContact CD1-CD2 4.23Å; L448-L504 HydrophobicContact CD2-CB 4.39Å; L448-L504 HydrophobicContact CD2-CD1 4.04Å; L448-L507 HydrophobicContact CB-CD2 4.08Å; L448-L507 WeakPolarHBondContact O-CD2 3.46Å
449	V	96.7	Very high	94.1	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-60.6	-51.8	178.9	167.7	0	0	0	0	110.7	M352 L355 M356 I359 Y445 R446 S452 R453	M352-V449 HydrophobicContact CB-CG1 4.4Å; M352-V449 HydrophobicContact SD-CG1 3.47Å; M352-V449 WeakPolarHBondContact SD-CG1 3.45Å; L355-V449 HydrophobicContact CB-CG1 4.18Å; L355-V449 HydrophobicContact CB-CG2 3.69Å; L355-V449 HydrophobicContact CD1-CG1 3.81Å; M356-V449 HydrophobicContact CE-CB 3.97Å; M356-V449 HydrophobicContact CE-CG2 3.66Å; M356-V449 HydrophobicContact CG-CG2 4.24Å; M356-V449 HydrophobicContact SD-CB 4.25Å; M356-V449 HydrophobicContact SD-CG2 3.31Å; M356-V449 WeakPolarHBondContact SD-CG2 3.32Å; I359-V449 HydrophobicContact CD1-CG2 3.58Å; Y445-V449 PolarHBondContact O-N 3.28Å; R446-V449 PolarHBondContact O-N 3Å; V449-S452 PolarHBondContact O-OG 3.32Å; V449-R453 VanDerWaalsContact O-CG 3.32Å; V449-R453 WeakPolarHBondContact O-CG 3.23Å; V449-R453 PolarHBondContact O-N 2.92Å
450	D	96.9	Very high	94.4	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-62.8	-51.3	-177.2	177.1	85.1	0	0	0	112.6	V158 H165 T166 Y347 R446 S452 R453 A454	V158-D450 HydrophobicContact CG1-CB 3.79Å; V158-D450 VanDerWaalsContact CG1-OD2 3.26Å; V158-D450 WeakPolarHBondContact CG1-OD2 3.49Å; H165-D450 WeakPolarHBondContact CA-OD1 3.39Å; H165-D450 WeakPolarHBondContact CB-OD1 3.24Å; H165-D450 IonicContact CG-OD1 3.9Å; H165-D450 IonicContact ND1-OD1 3.48Å; H165-D450 PolarHBondContact ND1-OD1 2.94Å; T166-D450 VanDerWaalsContact CB-OD2 3.23Å; T166-D450 WeakPolarHBondContact CB-OD2 3.39Å; T166-D450 WeakPolarHBondContact CG2-OD2 3.18Å; T166-D450 PolarHBondContact N-OD1 3.17Å; T166-D450 PolarHBondContact N-OD2 3.43Å; T166-D450 PolarHBondContact OG1-OD2 3.21Å; Y347-D450 HydrophobicContact CE1-CB 4.39Å; R446-D450 WeakPolarHBondContact O-CB 3.48Å; R446-D450 PolarHBondContact O-N 2.84Å; D450-S452 VanDerWaalsContact C-N 3.35Å; D450-S452 PolarHBondContact O-N 2.87Å; D450-R453 WeakPolarHBondContact O-CB 3.49Å; D450-R453 PolarHBondContact O-N 3.4Å; D450-A454 PolarHBondContact O-N 3.18Å; D450-A454 VanDerWaalsContact O-N 3.15Å
451	H	97.2	Very high	94.3	Very high	3 Å²	3	5.5 Å²	5.5	1%	0.014	3%	0.026	C	C	.	.	H	α-helix	trans	-70.2	-32.2	-176.6	-69.9	17.3	0	0	0	112.1	T166 V447 R453 A454 L455 L477 A481	T166-H451 VanDerWaalsContact CG2-CE1 3.4Å; T166-H451 WeakPolarHBondContact CG2-CE1 3.47Å; V447-H451 VanDerWaalsContact O-CB 3.23Å; V447-H451 WeakPolarHBondContact O-CB 3.47Å; V447-H451 PolarHBondContact O-N 2.94Å; H451-R453 VanDerWaalsContact C-N 3.26Å; H451-R453 PolarHBondContact O-N 3.43Å; H451-A454 PolarHBondContact O-N 3.46Å; H451-L455 WeakPolarHBondContact O-CB 3.44Å; H451-L455 WeakPolarHBondContact O-CG 3.32Å; H451-L455 PolarHBondContact O-N 2.88Å; H451-L477 HydrophobicContact CB-CD2 4.15Å; H451-L477 VanDerWaalsContact CD2-CD2 3.47Å; H451-L477 WeakPolarHBondContact CD2-CD2 3.31Å; H451-A481 HydrophobicContact CB-CB 3.9Å
452	S	97.4	Very high	93.9	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-63.6	-34.2	174.2	67.3	0	0	0	0	112.2	L448 V449 D450 L455 A456 L507	L448-S452 WeakPolarHBondContact O-CB 3.46Å; L448-S452 PolarHBondContact O-N 3.04Å; L448-S452 PolarHBondContact O-OG 3.41Å; V449-S452 PolarHBondContact O-OG 3.32Å; D450-S452 VanDerWaalsContact C-N 3.35Å; D450-S452 PolarHBondContact O-N 2.87Å; S452-L455 PolarHBondContact O-N 2.84Å; S452-A456 VanDerWaalsContact O-CB 3.3Å; S452-A456 WeakPolarHBondContact O-CB 3.39Å; S452-A456 PolarHBondContact O-N 3.43Å; S452-L507 VanDerWaalsContact OG-CD2 3.31Å; S452-L507 WeakPolarHBondContact OG-CD2 3.49Å; S452-L507 WeakPolarHBondContact OG-CG 3.48Å
453	R	97	Very high	93.5	Very high	8 Å²	8	4.7 Å²	4.7	3%	0.03	3%	0.03	C	C	.	.	H	α-helix	trans	-65.6	-47.7	172.6	-67.8	175.8	73.4	-120.4	-0.3	112	M167 E334 L355 V449 D450 H451 L455 A456 F457 V511 D515	M167-R453 HydrophobicContact CE-CB 3.72Å; M167-R453 PolarHBondContact O-NH1 2.87Å; M167-R453 HydrophobicContact SD-CB 4.34Å; E334-R453 IonicContact OE1-CZ 2.77Å; E334-R453 IonicContact OE1-NH1 3.73Å; E334-R453 PolarHBondContact OE1-NH1 3.02Å; E334-R453 IonicContact OE1-NH2 3.18Å; E334-R453 PolarHBondContact OE1-NH2 3.09Å; L355-R453 HydrophobicContact CD1-CG 4.41Å; V449-R453 VanDerWaalsContact O-CG 3.32Å; V449-R453 WeakPolarHBondContact O-CG 3.23Å; V449-R453 PolarHBondContact O-N 2.92Å; D450-R453 WeakPolarHBondContact O-CB 3.49Å; D450-R453 PolarHBondContact O-N 3.4Å; H451-R453 VanDerWaalsContact C-N 3.26Å; H451-R453 PolarHBondContact O-N 3.43Å; R453-L455 VanDerWaalsContact C-N 3.31Å; R453-L455 PolarHBondContact O-N 2.89Å; R453-A456 PolarHBondContact O-N 2.91Å; R453-F457 WeakPolarHBondContact O-CD2 3.22Å; R453-F457 PolarHBondContact O-N 2.85Å; R453-V511 HydrophobicContact CB-CG1 4.34Å; R453-V511 HydrophobicContact CG-CG1 3.82Å; R453-V511 HydrophobicContact CG-CG2 4.22Å; R453-D515 IonicContact NE-OD2 3.78Å
454	A	96.3	Very high	93.2	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-57.4	-45.2	173.8	0	0	0	0	0	112	I146 T166 M167 D450 H451 A458 L477	I146-A454 HydrophobicContact CD1-CB 4.3Å; T166-A454 WeakPolarHBondContact OG1-CB 3.12Å; M167-A454 HydrophobicContact CB-CB 3.75Å; D450-A454 PolarHBondContact O-N 3.18Å; D450-A454 VanDerWaalsContact O-N 3.15Å; H451-A454 PolarHBondContact O-N 3.46Å; A454-A458 VanDerWaalsContact O-CB 3.25Å; A454-A458 WeakPolarHBondContact O-CB 3.41Å; A454-A458 PolarHBondContact O-N 3.25Å; A454-L477 HydrophobicContact CB-CD1 3.81Å
455	L	96.9	Very high	92.8	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-65	-44.6	179.3	-70.3	169.2	0	0	0	112.5	H451 S452 R453 F457 A458 L459 I474 L477 I478 L504 V508 I549	H451-L455 WeakPolarHBondContact O-CB 3.44Å; H451-L455 WeakPolarHBondContact O-CG 3.32Å; H451-L455 PolarHBondContact O-N 2.88Å; S452-L455 PolarHBondContact O-N 2.84Å; R453-L455 VanDerWaalsContact C-N 3.31Å; R453-L455 PolarHBondContact O-N 2.89Å; L455-F457 PolarHBondContact O-N 3.06Å; L455-A458 PolarHBondContact O-N 2.78Å; L455-L459 WeakPolarHBondContact O-CB 3.47Å; L455-L459 VanDerWaalsContact O-CG 3.24Å; L455-L459 WeakPolarHBondContact O-CG 3.34Å; L455-L459 PolarHBondContact O-N 3.28Å; L455-I474 HydrophobicContact CD2-CG2 3.78Å; L455-L477 HydrophobicContact CD1-CB 4.48Å; L455-L477 HydrophobicContact CD2-CB 3.9Å; L455-L477 HydrophobicContact CD2-CD1 4.12Å; L455-L477 HydrophobicContact CG-CB 4.19Å; L455-L477 HydrophobicContact CG-CD1 4.33Å; L455-I478 HydrophobicContact CD1-CG1 3.81Å; L455-I478 HydrophobicContact CD2-CD1 4.3Å; L455-I478 HydrophobicContact CD2-CG1 3.66Å; L455-I478 HydrophobicContact CG-CG1 4.41Å; L455-L504 HydrophobicContact CD1-CD1 4.29Å; L455-L504 HydrophobicContact CD1-CD2 4.33Å; L455-V508 HydrophobicContact CB-CG2 3.96Å; L455-V508 HydrophobicContact CD1-CG2 4.26Å; L455-I549 HydrophobicContact CD1-CD1 4.04Å
456	A	96	Very high	91.7	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-59.3	-45.7	179.6	0	0	0	0	0	111.8	S452 R453 S460 V508 V511 V516	S452-A456 VanDerWaalsContact O-CB 3.3Å; S452-A456 WeakPolarHBondContact O-CB 3.39Å; S452-A456 PolarHBondContact O-N 3.43Å; R453-A456 PolarHBondContact O-N 2.91Å; A456-S460 WeakPolarHBondContact O-CB 3.34Å; A456-S460 PolarHBondContact O-N 3.02Å; A456-V508 HydrophobicContact CB-CG1 4.31Å; A456-V511 HydrophobicContact CB-CB 4.1Å; A456-V511 HydrophobicContact CB-CG1 3.7Å; A456-V516 HydrophobicContact CB-CG2 4.02Å
457	F	94.3	Very high	90.4	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-68.7	-42.1	177.6	-83.2	-98	0	0	0	112.5	V100 P144 M167 R453 L455 S460 D461 D515 V516 L519 R535	V100-F457 HydrophobicContact CG1-CB 3.96Å; P144-F457 HydrophobicContact CB-CD1 3.65Å; P144-F457 HydrophobicContact CB-CE1 3.8Å; P144-F457 HydrophobicContact CB-CG 4.35Å; P144-F457 HydrophobicContact CG-CD1 3.65Å; P144-F457 HydrophobicContact CG-CE1 3.36Å; P144-F457 HydrophobicContact CG-CZ 4.26Å; M167-F457 HydrophobicContact CE-CD2 3.08Å; M167-F457 HydrophobicContact CE-CE2 3.1Å; M167-F457 HydrophobicContact CE-CG 3.89Å; M167-F457 HydrophobicContact CE-CZ 3.93Å; R453-F457 WeakPolarHBondContact O-CD2 3.22Å; R453-F457 PolarHBondContact O-N 2.85Å; L455-F457 PolarHBondContact O-N 3.06Å; F457-S460 PolarHBondContact O-N 3.43Å; F457-D461 PolarHBondContact O-N 3.26Å; F457-D515 HydrophobicContact CE2-CB 4.14Å; F457-D515 HydrophobicContact CZ-CB 4.46Å; F457-V516 HydrophobicContact CD1-CG2 4.38Å; F457-V516 HydrophobicContact CD2-CG2 3.63Å; F457-V516 HydrophobicContact CE1-CG2 4.33Å; F457-V516 HydrophobicContact CE2-CG2 3.58Å; F457-V516 HydrophobicContact CG-CG2 4.07Å; F457-V516 HydrophobicContact CZ-CG2 3.97Å; F457-L519 HydrophobicContact CE1-CD2 3.71Å; F457-L519 HydrophobicContact CZ-CD2 4.18Å; F457-R535 PolarHBondContact O-NH2 2.95Å
458	A	92	Very high	88.9	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-61.8	-50.6	177.2	0	0	0	0	0	112.9	V100 I146 A454 L455 S460 D461 G462 L463 I474	V100-A458 HydrophobicContact CG2-CB 4.25Å; I146-A458 HydrophobicContact CD1-CB 4.46Å; A454-A458 VanDerWaalsContact O-CB 3.25Å; A454-A458 WeakPolarHBondContact O-CB 3.41Å; A454-A458 PolarHBondContact O-N 3.25Å; L455-A458 PolarHBondContact O-N 2.78Å; A458-S460 VanDerWaalsContact C-N 3.34Å; A458-D461 PolarHBondContact O-N 3.46Å; A458-G462 PolarHBondContact O-N 3.13Å; A458-L463 HydrophobicContact CB-CB 4.3Å; A458-L463 HydrophobicContact CB-CD1 3.87Å; A458-L463 VanDerWaalsContact O-CB 3.32Å; A458-L463 WeakPolarHBondContact O-CB 3.41Å; A458-L463 PolarHBondContact O-N 2.67Å; A458-I474 HydrophobicContact CB-CD1 3.44Å; A458-I474 VanDerWaalsContact CB-CD1 3.44Å
459	L	91.5	Very high	87.7	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-64.4	-40.4	178.1	-66.4	177.2	0	0	0	111	L455 D461 G462 L463 L464 V508 M545 I548 I549	L455-L459 WeakPolarHBondContact O-CB 3.47Å; L455-L459 VanDerWaalsContact O-CG 3.24Å; L455-L459 WeakPolarHBondContact O-CG 3.34Å; L455-L459 PolarHBondContact O-N 3.28Å; L459-D461 PolarHBondContact O-N 3.38Å; L459-G462 WeakPolarHBondContact O-CA 2.89Å; L459-G462 PolarHBondContact O-N 3.15Å; L459-L463 WeakPolarHBondContact CA-O 3.34Å; L459-L463 WeakPolarHBondContact CD2-O 3.44Å; L459-L464 HydrophobicContact CD2-CD2 4.22Å; L459-V508 HydrophobicContact CD1-CG1 4.03Å; L459-M545 HydrophobicContact CB-CG 3.89Å; L459-M545 HydrophobicContact CB-SD 3.67Å; L459-M545 HydrophobicContact CD1-CB 3.82Å; L459-M545 HydrophobicContact CD1-CG 4.09Å; L459-M545 HydrophobicContact CD1-SD 4.38Å; L459-I548 HydrophobicContact CD2-CG2 4.19Å; L459-I549 HydrophobicContact CD1-CD1 4.04Å; L459-I549 HydrophobicContact CD1-CG1 4.17Å
460	S	90	Very high	86.9	Confident	11 Å²	11	23.4 Å²	23.4	8%	0.077	12%	0.122	C	C	.	.	H	α-helix	trans	-61.4	-29.5	174.6	173.7	0	0	0	0	113.5	A456 F457 A458 G462 V516 R535 A539 M545	A456-S460 WeakPolarHBondContact O-CB 3.34Å; A456-S460 PolarHBondContact O-N 3.02Å; F457-S460 PolarHBondContact O-N 3.43Å; A458-S460 VanDerWaalsContact C-N 3.34Å; S460-G462 VanDerWaalsContact C-N 3.25Å; S460-V516 WeakPolarHBondContact OG-CG1 3.47Å; S460-R535 PolarHBondContact OG-NH2 3.08Å; S460-A539 WeakPolarHBondContact O-CB 3.31Å; S460-M545 VanDerWaalsContact CA-CE 3.46Å
461	D	87	Confident	86	Confident	23 Å²	23	25.3 Å²	25.3	12%	0.123	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-4.4	174.8	-73.4	-29.9	0	0	0	112.4	S99 V100 F101 F457 A458 L459 R535	S99-D461 WeakPolarHBondContact CA-OD2 3.42Å; V100-D461 HydrophobicContact CG2-CB 4.45Å; V100-D461 PolarHBondContact N-OD2 3.15Å; F101-D461 HydrophobicContact CD1-CB 3.98Å; F101-D461 HydrophobicContact CE1-CB 3.64Å; F101-D461 VanDerWaalsContact CE1-O 3.26Å; F101-D461 WeakPolarHBondContact CE1-O 3.5Å; F457-D461 PolarHBondContact O-N 3.26Å; A458-D461 PolarHBondContact O-N 3.46Å; L459-D461 PolarHBondContact O-N 3.38Å; D461-R535 WeakPolarHBondContact OD1-CG 3.4Å; D461-R535 IonicContact OD1-CZ 3.57Å; D461-R535 IonicContact OD1-NE 3.53Å; D461-R535 PolarHBondContact OD1-NE 2.75Å; D461-R535 IonicContact OD1-NH2 2.8Å; D461-R535 PolarHBondContact OD1-NH2 3.39Å; D461-R535 IonicContact OD2-CZ 2.95Å; D461-R535 IonicContact OD2-NE 3.77Å; D461-R535 PolarHBondContact OD2-NE 2.95Å; D461-R535 IonicContact OD2-NH2 3.91Å; D461-R535 PolarHBondContact OD2-NH2 3.05Å
462	G	82.1	Confident	85.3	Confident	21 Å²	21	27.9 Å²	27.9	22%	0.216	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.5	15.7	176.8	0	0	0	0	0	114.2	A458 L459 S460 Q847	A458-G462 PolarHBondContact O-N 3.13Å; L459-G462 WeakPolarHBondContact O-CA 2.89Å; L459-G462 PolarHBondContact O-N 3.15Å; S460-G462 VanDerWaalsContact C-N 3.25Å; G462-Q847 PolarHBondContact O-NE2 2.86Å; G462-Q847 PolarHBondContact O-OE1 2.93Å
463	L	84.4	Confident	84.8	Confident	15 Å²	15	29.7 Å²	29.7	8%	0.079	16%	0.155	C	C	.	.			trans	-78.8	137.1	169.7	-59.8	176	0	0	0	110	V100 F101 F110 A458 L459 L470 I474	V100-L463 HydrophobicContact CG2-CD1 4.32Å; F101-L463 HydrophobicContact CB-CD1 4.09Å; F101-L463 HydrophobicContact CB-CD2 4.17Å; F101-L463 HydrophobicContact CD1-CD1 3.85Å; F101-L463 HydrophobicContact CD1-CD2 3.56Å; F101-L463 HydrophobicContact CD1-CG 3.58Å; F101-L463 HydrophobicContact CE1-CD2 3.99Å; F101-L463 HydrophobicContact CE1-CG 4.07Å; F101-L463 HydrophobicContact CG-CD1 4.36Å; F101-L463 HydrophobicContact CG-CD2 3.88Å; F101-L463 HydrophobicContact CG-CG 4.29Å; F110-L463 HydrophobicContact CD1-CD1 4.41Å; F110-L463 HydrophobicContact CE1-CD1 3.8Å; A458-L463 HydrophobicContact CB-CB 4.3Å; A458-L463 HydrophobicContact CB-CD1 3.87Å; A458-L463 VanDerWaalsContact O-CB 3.32Å; A458-L463 WeakPolarHBondContact O-CB 3.41Å; A458-L463 PolarHBondContact O-N 2.67Å; L459-L463 WeakPolarHBondContact CA-O 3.34Å; L459-L463 WeakPolarHBondContact CD2-O 3.44Å; L463-L470 HydrophobicContact CD1-CD1 4.34Å; L463-L470 HydrophobicContact CD1-CD2 3.63Å; L463-L470 HydrophobicContact CD1-CG 3.92Å; L463-L470 HydrophobicContact CD2-CD2 3.27Å; L463-L470 HydrophobicContact CD2-CG 3.93Å; L463-L470 HydrophobicContact CG-CD2 4.07Å; L463-I474 HydrophobicContact CB-CD1 4.5Å; L463-I474 HydrophobicContact CB-CG1 4.22Å; L463-I474 HydrophobicContact CD1-CD1 4.3Å
464	L	84.8	Confident	84.5	Confident	8 Å²	8	29.3 Å²	29.3	4%	0.042	15%	0.154	C	C	.	.			trans	-124.7	152.6	179	-66	-179.7	0	0	0	110.8	L459 G466 P471 L540 I548 I849 A863 I865 I980	L459-L464 HydrophobicContact CD2-CD2 4.22Å; L464-G466 PolarHBondContact O-N 3.45Å; L464-P471 VanDerWaalsContact O-CA 3.31Å; L464-P471 WeakPolarHBondContact O-CA 3.46Å; L464-P471 WeakPolarHBondContact O-CB 3.21Å; L464-L540 HydrophobicContact CD2-CD1 3.96Å; L464-I548 HydrophobicContact CD2-CD1 3.53Å; L464-I548 HydrophobicContact CD2-CG1 4.38Å; L464-I849 HydrophobicContact CD1-CD1 4.41Å; L464-A863 HydrophobicContact CD1-CB 3.1Å; L464-I865 HydrophobicContact CD1-CD1 4.38Å; L464-I865 HydrophobicContact CD2-CD1 4.39Å; L464-I980 HydrophobicContact CB-CD1 4.31Å
465	P	86.2	Confident	84.3	Confident	2 Å²	2	30.5 Å²	30.5	1%	0.013	16%	0.158	C	C	.	.			trans	-63.8	132.9	176.7	25.2	-33.1	0	0	0	111.9	I474 R475 I478 I548 E552 I980	P465-I474 HydrophobicContact CB-CG2 4.22Å; P465-R475 HydrophobicContact CB-CB 4.31Å; P465-I478 HydrophobicContact CB-CD1 4.09Å; P465-I478 HydrophobicContact CG-CD1 4.3Å; P465-I548 HydrophobicContact CG-CG2 3.69Å; P465-E552 HydrophobicContact CB-CG 4.46Å; P465-I980 WeakPolarHBondContact O-CD1 3.4Å
466	G	72	Confident	84	Confident	7 Å²	7	31.7 Å²	31.7	7%	0.072	16%	0.164	C	C	.	.			trans	-154.8	-177.4	-174	0	0	0	0	0	112.6	L464 P471 L472 R475	L464-G466 PolarHBondContact O-N 3.45Å; G466-P471 VanDerWaalsContact N-CB 3.31Å; G466-P471 PolarHBondContact N-O 3.34Å; G466-P471 CarbonylContact O-C 3.55Å; G466-L472 WeakPolarHBondContact O-CA 3.48Å; G466-L472 PolarHBondContact O-N 3.4Å; G466-R475 PolarHBondContact O-NH1 2.9Å
467	R	68.3	Low	83.9	Confident	169 Å²	169	31.8 Å²	31.8	64%	0.638	16%	0.164	S	C	*	.	S	Bend	trans	-93.5	-15.2	-166.8	-64.1	-172.8	-170.4	-157	0.9	114.8
468	Q	64.8	Low	84	Confident	164 Å²	164	31.8 Å²	31.8	77%	0.766	16%	0.164	S	C	*	.	S	Bend	trans	-144.2	160.4	-174.2	-66.9	-177.1	-6.5	0	0	110.2	P471 L472	Q468-P471 WeakPolarHBondContact O-CD 3.4Å; Q468-L472 PolarHBondContact O-N 3.26Å
469	G	70.6	Confident	84.1	Confident	33 Å²	33	32.7 Å²	32.7	34%	0.34	17%	0.169	S	C	.	.	H	α-helix	trans	57.5	-141.1	175.6	0	0	0	0	0	113.2	L472 K473	G469-L472 WeakPolarHBondContact O-CB 3.38Å; G469-L472 PolarHBondContact O-N 3.31Å; G469-L472 VanDerWaalsContact O-N 3.09Å; G469-K473 PolarHBondContact O-N 3.01Å
470	L	78.9	Confident	84.2	Confident	27 Å²	27	33.5 Å²	33.5	14%	0.141	17%	0.172	C	C	.	.	H	α-helix	trans	-59.6	-44.6	-179.7	-175.5	61.8	0	0	0	114	F101 Y109 F110 L463 L472 K473 I474	F101-L470 HydrophobicContact CB-CD2 3.43Å; F101-L470 VanDerWaalsContact CB-CD2 3.43Å; F101-L470 HydrophobicContact CG-CD2 4.23Å; Y109-L470 HydrophobicContact CD1-CB 4.35Å; Y109-L470 WeakPolarHBondContact O-CD1 3.14Å; F110-L470 HydrophobicContact CD1-CD1 3.71Å; F110-L470 HydrophobicContact CD2-CD1 3.9Å; F110-L470 HydrophobicContact CE1-CD1 3.31Å; F110-L470 HydrophobicContact CE1-CG 4.29Å; F110-L470 HydrophobicContact CE2-CD1 3.5Å; F110-L470 HydrophobicContact CG-CD1 4Å; F110-L470 HydrophobicContact CZ-CD1 3.19Å; F110-L470 HydrophobicContact CZ-CG 4.36Å; L463-L470 HydrophobicContact CD1-CD1 4.34Å; L463-L470 HydrophobicContact CD1-CD2 3.63Å; L463-L470 HydrophobicContact CD1-CG 3.92Å; L463-L470 HydrophobicContact CD2-CD2 3.27Å; L463-L470 HydrophobicContact CD2-CG 3.93Å; L463-L470 HydrophobicContact CG-CD2 4.07Å; L470-L472 PolarHBondContact O-N 2.91Å; L470-L472 VanDerWaalsContact O-N 3.14Å; L470-K473 WeakPolarHBondContact O-CB 3.34Å; L470-K473 PolarHBondContact O-N 3.49Å; L470-I474 PolarHBondContact O-N 2.92Å
471	P	79.6	Confident	84.5	Confident	40 Å²	40	33 Å²	33	26%	0.26	17%	0.168	S	C	.	.	H	α-helix	trans	-53.4	-31.4	171.2	-31.9	37	0	0	0	115.3	L464 G466 Q468 R475	L464-P471 VanDerWaalsContact O-CA 3.31Å; L464-P471 WeakPolarHBondContact O-CA 3.46Å; L464-P471 WeakPolarHBondContact O-CB 3.21Å; G466-P471 VanDerWaalsContact N-CB 3.31Å; G466-P471 PolarHBondContact N-O 3.34Å; G466-P471 CarbonylContact O-C 3.55Å; Q468-P471 WeakPolarHBondContact O-CD 3.4Å; P471-R475 PolarHBondContact O-N 2.95Å
472	L	81	Confident	84.8	Confident	58 Å²	58	32 Å²	32	30%	0.304	16%	0.163	S	C	.	.	H	α-helix	trans	-69.1	-37.7	175.7	179.2	62.7	0	0	0	111.7	G466 Q468 G469 L470 I474 R475 Q476	G466-L472 WeakPolarHBondContact O-CA 3.48Å; G466-L472 PolarHBondContact O-N 3.4Å; Q468-L472 PolarHBondContact O-N 3.26Å; G469-L472 WeakPolarHBondContact O-CB 3.38Å; G469-L472 PolarHBondContact O-N 3.31Å; G469-L472 VanDerWaalsContact O-N 3.09Å; L470-L472 PolarHBondContact O-N 2.91Å; L470-L472 VanDerWaalsContact O-N 3.14Å; L472-I474 VanDerWaalsContact C-N 3.33Å; L472-I474 PolarHBondContact O-N 2.89Å; L472-R475 WeakPolarHBondContact O-CB 3.3Å; L472-R475 PolarHBondContact O-N 3.13Å; L472-Q476 WeakPolarHBondContact O-CG 3.48Å; L472-Q476 PolarHBondContact O-N 3.19Å
473	K	87.2	Confident	85.3	Confident	37 Å²	37	31.5 Å²	31.5	16%	0.161	15%	0.154	C	C	.	.	H	α-helix	trans	-63.3	-39.7	176.9	-62	-51.9	-167.9	169.2	0	112	Y109 F110 I148 G469 L470 R475 Q476 L477	Y109-K473 HydrophobicContact CD1-CG 4.28Å; Y109-K473 HydrophobicContact CD2-CD 4.37Å; Y109-K473 HydrophobicContact CD2-CG 4.01Å; Y109-K473 HydrophobicContact CE2-CD 4.48Å; Y109-K473 VanDerWaalsContact CE2-CE 3.41Å; Y109-K473 HydrophobicContact CE2-CG 4.41Å; Y109-K473 HydrophobicContact CG-CG 3.93Å; F110-K473 HydrophobicContact CE2-CB 3.8Å; F110-K473 HydrophobicContact CE2-CG 4.28Å; F110-K473 HydrophobicContact CZ-CB 4.05Å; I148-K473 HydrophobicContact CG2-CD 4.23Å; G469-K473 PolarHBondContact O-N 3.01Å; L470-K473 WeakPolarHBondContact O-CB 3.34Å; L470-K473 PolarHBondContact O-N 3.49Å; K473-R475 VanDerWaalsContact C-N 3.33Å; K473-R475 PolarHBondContact O-N 3.05Å; K473-Q476 WeakPolarHBondContact O-CB 3.42Å; K473-Q476 PolarHBondContact O-N 3.24Å; K473-L477 PolarHBondContact O-N 3.37Å
474	I	91.3	Very high	85.6	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-59.4	-45.6	172.6	-58.2	-52.1	0	0	0	110.9	F110 L455 A458 L463 P465 L470 L472 Q476 L477 I478	F110-I474 HydrophobicContact CE1-CD1 3.99Å; F110-I474 HydrophobicContact CZ-CD1 3.78Å; L455-I474 HydrophobicContact CD2-CG2 3.78Å; A458-I474 HydrophobicContact CB-CD1 3.44Å; A458-I474 VanDerWaalsContact CB-CD1 3.44Å; L463-I474 HydrophobicContact CB-CD1 4.5Å; L463-I474 HydrophobicContact CB-CG1 4.22Å; L463-I474 HydrophobicContact CD1-CD1 4.3Å; P465-I474 HydrophobicContact CB-CG2 4.22Å; L470-I474 PolarHBondContact O-N 2.92Å; L472-I474 VanDerWaalsContact C-N 3.33Å; L472-I474 PolarHBondContact O-N 2.89Å; I474-Q476 VanDerWaalsContact C-N 3.34Å; I474-Q476 PolarHBondContact O-N 2.85Å; I474-L477 PolarHBondContact O-N 2.77Å; I474-I478 HydrophobicContact CG2-CD1 4.16Å; I474-I478 VanDerWaalsContact O-CG1 3.3Å; I474-I478 WeakPolarHBondContact O-CG1 3.43Å; I474-I478 PolarHBondContact O-N 3.15Å; I474-I478 VanDerWaalsContact O-N 3.13Å
475	R	90.8	Very high	85.9	Confident	25 Å²	25	30.5 Å²	30.5	9%	0.094	15%	0.15	C	C	.	.	H	α-helix	trans	-61.1	-41.9	175.8	178.6	176.4	-78.7	126.6	19	112.3	P465 G466 P471 L472 K473 I478 H479 E552	P465-R475 HydrophobicContact CB-CB 4.31Å; G466-R475 PolarHBondContact O-NH1 2.9Å; P471-R475 PolarHBondContact O-N 2.95Å; L472-R475 WeakPolarHBondContact O-CB 3.3Å; L472-R475 PolarHBondContact O-N 3.13Å; K473-R475 VanDerWaalsContact C-N 3.33Å; K473-R475 PolarHBondContact O-N 3.05Å; R475-I478 PolarHBondContact O-N 3.03Å; R475-H479 WeakPolarHBondContact CG-CE1 3.32Å; R475-H479 VanDerWaalsContact CG-NE2 3.34Å; R475-H479 WeakPolarHBondContact CG-NE2 3.36Å; R475-H479 WeakPolarHBondContact O-CB 3.43Å; R475-H479 PolarHBondContact O-CD2 3Å; R475-H479 VanDerWaalsContact O-CD2 3.29Å; R475-H479 VanDerWaalsContact O-CG 3.22Å; R475-H479 PolarHBondContact O-N 2.8Å; R475-E552 WeakPolarHBondContact CD-OE1 3.31Å; R475-E552 HydrophobicContact CG-CG 4.46Å; R475-E552 WeakPolarHBondContact CG-OE1 3.46Å; R475-E552 IonicContact CZ-OE1 3.95Å; R475-E552 IonicContact CZ-OE2 2.64Å; R475-E552 IonicContact NE-OE1 3.58Å; R475-E552 PolarHBondContact NE-OE1 2.95Å; R475-E552 IonicContact NE-OE2 3.98Å; R475-E552 PolarHBondContact NE-OE2 3.42Å; R475-E552 IonicContact NH2-OE1 3.5Å; R475-E552 IonicContact NH2-OE2 3.51Å; R475-E552 PolarHBondContact NH2-OE2 2.9Å
476	Q	90.8	Very high	86	Confident	26 Å²	26	31.5 Å²	31.5	12%	0.121	16%	0.155	C	C	.	.	H	α-helix	trans	-60.3	-45.5	178.5	-73.9	175.5	-23.1	0	0	111.8	L472 K473 I474 I478 H479 R480 D600	L472-Q476 WeakPolarHBondContact O-CG 3.48Å; L472-Q476 PolarHBondContact O-N 3.19Å; K473-Q476 WeakPolarHBondContact O-CB 3.42Å; K473-Q476 PolarHBondContact O-N 3.24Å; I474-Q476 VanDerWaalsContact C-N 3.34Å; I474-Q476 PolarHBondContact O-N 2.85Å; Q476-I478 PolarHBondContact O-N 2.81Å; Q476-H479 PolarHBondContact O-N 3.02Å; Q476-R480 PolarHBondContact O-N 3.35Å; Q476-D600 WeakPolarHBondContact CB-OD2 3.44Å; Q476-D600 HydrophobicContact CG-CB 3.96Å; Q476-D600 WeakPolarHBondContact CG-OD2 3.35Å
477	L	95.1	Very high	86.6	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-57.8	-47.1	173.7	-78.9	176.1	0	0	0	112.7	I148 L155 T166 H451 A454 L455 K473 I474 H479 R480 A481	I148-L477 HydrophobicContact CD1-CD1 3.44Å; I148-L477 VanDerWaalsContact CD1-CD1 3.44Å; I148-L477 HydrophobicContact CD1-CD2 3.57Å; I148-L477 HydrophobicContact CD1-CG 3.62Å; L155-L477 HydrophobicContact CD1-CD2 3.84Å; T166-L477 HydrophobicContact CG2-CD2 4.13Å; H451-L477 HydrophobicContact CB-CD2 4.15Å; H451-L477 VanDerWaalsContact CD2-CD2 3.47Å; H451-L477 WeakPolarHBondContact CD2-CD2 3.31Å; A454-L477 HydrophobicContact CB-CD1 3.81Å; L455-L477 HydrophobicContact CD1-CB 4.48Å; L455-L477 HydrophobicContact CD2-CB 3.9Å; L455-L477 HydrophobicContact CD2-CD1 4.12Å; L455-L477 HydrophobicContact CG-CB 4.19Å; L455-L477 HydrophobicContact CG-CD1 4.33Å; K473-L477 PolarHBondContact O-N 3.37Å; I474-L477 PolarHBondContact O-N 2.77Å; L477-H479 VanDerWaalsContact C-N 3.31Å; L477-H479 PolarHBondContact O-N 2.94Å; L477-R480 PolarHBondContact O-N 2.96Å; L477-A481 WeakPolarHBondContact O-CB 3.42Å; L477-A481 PolarHBondContact O-N 3.14Å
478	I	95.6	Very high	87.5	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-58.1	-47.5	177.9	-64	168.1	0	0	0	110	L455 P465 I474 R475 Q476 F482 L504 I549 E552 V553	L455-I478 HydrophobicContact CD1-CG1 3.81Å; L455-I478 HydrophobicContact CD2-CD1 4.3Å; L455-I478 HydrophobicContact CD2-CG1 3.66Å; L455-I478 HydrophobicContact CG-CG1 4.41Å; P465-I478 HydrophobicContact CB-CD1 4.09Å; P465-I478 HydrophobicContact CG-CD1 4.3Å; I474-I478 HydrophobicContact CG2-CD1 4.16Å; I474-I478 VanDerWaalsContact O-CG1 3.3Å; I474-I478 WeakPolarHBondContact O-CG1 3.43Å; I474-I478 PolarHBondContact O-N 3.15Å; I474-I478 VanDerWaalsContact O-N 3.13Å; R475-I478 PolarHBondContact O-N 3.03Å; Q476-I478 PolarHBondContact O-N 2.81Å; I478-F482 VanDerWaalsContact O-CB 3.22Å; I478-F482 WeakPolarHBondContact O-CB 3.35Å; I478-F482 PolarHBondContact O-N 2.82Å; I478-L504 HydrophobicContact CG2-CD2 4.06Å; I478-I549 HydrophobicContact CD1-CD1 3.61Å; I478-I549 HydrophobicContact CG1-CD1 3.65Å; I478-E552 HydrophobicContact CB-CG 4.48Å; I478-E552 HydrophobicContact CD1-CB 4.24Å; I478-E552 HydrophobicContact CD1-CG 4.01Å; I478-E552 HydrophobicContact CG2-CB 4.33Å; I478-E552 HydrophobicContact CG2-CG 4.02Å; I478-V553 HydrophobicContact CG2-CG2 3.77Å
479	H	93.9	Very high	88.4	Confident	19 Å²	19	19.7 Å²	19.7	9%	0.088	12%	0.115	C	C	.	.	H	α-helix	trans	-66.7	-41.9	-176.7	-67.9	-175.4	0	0	0	112	R475 Q476 L477 R483 E552 F556 M601	R475-H479 WeakPolarHBondContact CG-CE1 3.32Å; R475-H479 VanDerWaalsContact CG-NE2 3.34Å; R475-H479 WeakPolarHBondContact CG-NE2 3.36Å; R475-H479 WeakPolarHBondContact O-CB 3.43Å; R475-H479 PolarHBondContact O-CD2 3Å; R475-H479 VanDerWaalsContact O-CD2 3.29Å; R475-H479 VanDerWaalsContact O-CG 3.22Å; R475-H479 PolarHBondContact O-N 2.8Å; Q476-H479 PolarHBondContact O-N 3.02Å; L477-H479 VanDerWaalsContact C-N 3.31Å; L477-H479 PolarHBondContact O-N 2.94Å; H479-R483 WeakPolarHBondContact O-CB 3.15Å; H479-R483 PolarHBondContact O-N 3.1Å; H479-E552 IonicContact CE1-OE1 3.46Å; H479-E552 IonicContact NE2-OE1 2.76Å; H479-E552 PolarHBondContact NE2-OE1 2.97Å; H479-F556 HydrophobicContact CB-CD1 3.98Å; H479-F556 HydrophobicContact CB-CD2 4.48Å; H479-F556 HydrophobicContact CB-CE1 3.68Å; H479-F556 HydrophobicContact CB-CE2 4.21Å; H479-F556 HydrophobicContact CB-CG 4.39Å; H479-F556 HydrophobicContact CB-CZ 3.82Å; H479-F556 AromaticContact CD2-CD1 3.71Å; H479-F556 AromaticContact CD2-CD2 3.96Å; H479-F556 AromaticContact CD2-CG 3.53Å; H479-F556 AromaticContact CE1-CD2 3.61Å; H479-F556 AromaticContact CE1-CG 3.9Å; H479-F556 AromaticContact CG-CD1 3.8Å; H479-F556 AromaticContact CG-CD2 3.79Å; H479-F556 AromaticContact CG-CE1 3.95Å; H479-F556 AromaticContact CG-CE2 3.94Å; H479-F556 AromaticContact CG-CG 3.73Å; H479-F556 AromaticContact ND1-CD2 3.59Å; H479-F556 AromaticContact ND1-CE2 3.74Å; H479-F556 AromaticContact ND1-CG 3.99Å; H479-F556 AromaticContact NE2-CD2 3.87Å; H479-F556 AromaticContact NE2-CG 3.66Å; H479-F556 WeakPolarHBondContact O-CE1 3.46Å; H479-M601 HydrophobicContact CB-CE 4.06Å
480	R	94.4	Very high	89.2	Confident	18 Å²	18	18.3 Å²	18.3	7%	0.068	10%	0.1	C	C	.	.	H	α-helix	trans	-62.2	-49.9	175.7	-80.1	-171	171.7	-142.9	-5.6	112.3	L155 N156 Q476 L477 R483 A484 D600 A604	L155-R480 PolarHBondContact O-NH1 2.72Å; N156-R480 PolarHBondContact OD1-NH1 2.86Å; N156-R480 VanDerWaalsContact OD1-NH1 3.1Å; N156-R480 PolarHBondContact OD1-NH2 3.1Å; Q476-R480 PolarHBondContact O-N 3.35Å; L477-R480 PolarHBondContact O-N 2.96Å; R480-R483 PolarHBondContact O-N 3.38Å; R480-A484 PolarHBondContact O-N 3.24Å; R480-D600 IonicContact CZ-OD1 2.62Å; R480-D600 IonicContact NE-OD1 3.74Å; R480-D600 PolarHBondContact NE-OD1 3.46Å; R480-D600 IonicContact NE-OD2 2.74Å; R480-D600 PolarHBondContact NH2-O 2.89Å; R480-D600 IonicContact NH2-OD1 3.48Å; R480-D600 PolarHBondContact NH2-OD1 3.37Å; R480-A604 HydrophobicContact CG-CB 4.07Å
481	A	95.1	Very high	89.4	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-65.3	-43.8	-178.2	0	0	0	0	0	111.8	V447 L448 H451 L477 A484 S485 L504	V447-A481 HydrophobicContact CG1-CB 4.49Å; L448-A481 HydrophobicContact CD2-CB 4.31Å; H451-A481 HydrophobicContact CB-CB 3.9Å; L477-A481 WeakPolarHBondContact O-CB 3.42Å; L477-A481 PolarHBondContact O-N 3.14Å; A481-A484 PolarHBondContact O-N 2.93Å; A481-S485 PolarHBondContact O-N 3.39Å; A481-S485 VanDerWaalsContact O-N 3.13Å; A481-L504 HydrophobicContact CB-CD1 3.88Å; A481-L504 HydrophobicContact CB-CD2 3.93Å
482	F	94.1	Very high	88.8	Confident	3 Å²	3	17.1 Å²	17.1	1%	0.013	9%	0.092	C	C	.	.	H	α-helix	trans	-66.2	-38.2	175.9	-178.1	-106.7	0	0	0	112.7	I478 A484 S485 V486 L500 L504 V553 F556 A557 L560	I478-F482 VanDerWaalsContact O-CB 3.22Å; I478-F482 WeakPolarHBondContact O-CB 3.35Å; I478-F482 PolarHBondContact O-N 2.82Å; F482-A484 PolarHBondContact O-N 3.49Å; F482-S485 PolarHBondContact O-N 3.46Å; F482-S485 PolarHBondContact O-OG 2.87Å; F482-V486 HydrophobicContact CD1-CG2 4.09Å; F482-V486 HydrophobicContact CD2-CG2 4.08Å; F482-V486 HydrophobicContact CE1-CG2 3.59Å; F482-V486 HydrophobicContact CE2-CG2 3.54Å; F482-V486 HydrophobicContact CG-CG2 4.34Å; F482-V486 HydrophobicContact CZ-CG2 3.29Å; F482-V486 WeakPolarHBondContact O-CG2 3.32Å; F482-V486 PolarHBondContact O-N 2.89Å; F482-L500 HydrophobicContact CE2-CD2 4.13Å; F482-L500 HydrophobicContact CZ-CD1 4.43Å; F482-L500 HydrophobicContact CZ-CD2 4.47Å; F482-L504 HydrophobicContact CB-CD2 4.43Å; F482-V553 HydrophobicContact CB-CG2 4.06Å; F482-V553 HydrophobicContact CD1-CG1 3.95Å; F482-V553 HydrophobicContact CD2-CB 4.28Å; F482-V553 HydrophobicContact CD2-CG1 3.32Å; F482-V553 HydrophobicContact CD2-CG2 3.91Å; F482-V553 HydrophobicContact CE1-CG1 3.75Å; F482-V553 HydrophobicContact CE2-CB 4.45Å; F482-V553 HydrophobicContact CE2-CG1 3.13Å; F482-V553 HydrophobicContact CG-CB 4.41Å; F482-V553 HydrophobicContact CG-CG1 3.72Å; F482-V553 HydrophobicContact CG-CG2 3.91Å; F482-V553 HydrophobicContact CZ-CG1 3.34Å; F482-F556 AromaticContact CD1-CD1 3.8Å; F482-F556 HydrophobicContact CD1-CD1 3.8Å; F482-F556 HydrophobicContact CD1-CE1 4.25Å; F482-A557 HydrophobicContact CE1-CB 3.78Å; F482-A557 HydrophobicContact CZ-CB 4Å; F482-L560 HydrophobicContact CD1-CD2 4.4Å; F482-L560 HydrophobicContact CE1-CD2 4.33Å
483	R	92.3	Very high	87.5	Confident	9 Å²	9	18.8 Å²	18.8	3%	0.034	10%	0.099	C	C	.	.	H	α-helix	trans	-56.8	-51	173.1	168.1	176.5	-176.3	-72.7	-8.6	110.9	H479 R480 S485 V486 L487 L560 E564 M601 W608	H479-R483 WeakPolarHBondContact O-CB 3.15Å; H479-R483 PolarHBondContact O-N 3.1Å; R480-R483 PolarHBondContact O-N 3.38Å; R483-S485 VanDerWaalsContact C-N 3.3Å; R483-S485 PolarHBondContact O-N 3.48Å; R483-V486 PolarHBondContact O-N 3.36Å; R483-L487 HydrophobicContact CG-CD1 3.65Å; R483-L487 HydrophobicContact CG-CG 4.22Å; R483-L487 VanDerWaalsContact NH2-CD1 3.34Å; R483-L487 WeakPolarHBondContact O-CB 3.25Å; R483-L487 VanDerWaalsContact O-CG 3.3Å; R483-L487 WeakPolarHBondContact O-CG 3.41Å; R483-L487 PolarHBondContact O-N 3.09Å; R483-L560 HydrophobicContact CB-CD1 3.9Å; R483-L560 HydrophobicContact CB-CD2 4.44Å; R483-L560 HydrophobicContact CG-CD1 3.85Å; R483-E564 WeakPolarHBondContact CD-OE1 3.33Å; R483-E564 IonicContact CZ-OE1 2.97Å; R483-E564 IonicContact CZ-OE2 3.55Å; R483-E564 IonicContact NE-OE1 2.93Å; R483-E564 PolarHBondContact NE-OE1 3.42Å; R483-E564 IonicContact NE-OE2 3.54Å; R483-E564 PolarHBondContact NE-OE2 3.44Å; R483-E564 IonicContact NH2-OE1 3.75Å; R483-E564 PolarHBondContact NH2-OE1 2.88Å; R483-E564 IonicContact NH2-OE2 2.8Å; R483-E564 PolarHBondContact NH2-OE2 2.93Å; R483-M601 WeakPolarHBondContact CD-SD 3.01Å; R483-W608 VanDerWaalsContact NH1-CG 3.34Å
484	A	91.8	Very high	85.9	Confident	3 Å²	3	21 Å²	21	3%	0.025	11%	0.111	C	C	.	.	H	α-helix	trans	-60.8	-40.3	-177.5	0	0	0	0	0	111.8	A444 V447 R480 A481 F482 T488 W608	A444-A484 HydrophobicContact CB-CB 3.9Å; A444-A484 WeakPolarHBondContact CB-O 3.43Å; V447-A484 HydrophobicContact CB-CB 4.48Å; V447-A484 HydrophobicContact CG1-CB 4.32Å; R480-A484 PolarHBondContact O-N 3.24Å; A481-A484 PolarHBondContact O-N 2.93Å; F482-A484 PolarHBondContact O-N 3.49Å; A484-T488 WeakPolarHBondContact O-CG2 3.38Å; A484-T488 PolarHBondContact O-N 3.21Å; A484-T488 PolarHBondContact O-OG1 3.28Å; A484-W608 HydrophobicContact CB-CH2 3.99Å; A484-W608 HydrophobicContact CB-CZ3 3.75Å
485	S	90.5	Very high	83.8	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-68.7	-40.1	178.3	70.4	0	0	0	0	113.5	A481 F482 R483 T488 G489 L490 D491	A481-S485 PolarHBondContact O-N 3.39Å; A481-S485 VanDerWaalsContact O-N 3.13Å; F482-S485 PolarHBondContact O-N 3.46Å; F482-S485 PolarHBondContact O-OG 2.87Å; R483-S485 VanDerWaalsContact C-N 3.3Å; R483-S485 PolarHBondContact O-N 3.48Å; S485-T488 PolarHBondContact O-OG1 3.17Å; S485-G489 PolarHBondContact O-N 3.39Å; S485-L490 PolarHBondContact O-N 3.31Å; S485-D491 PolarHBondContact O-N 2.87Å; S485-D491 VanDerWaalsContact O-N 3.15Å; S485-D491 WeakPolarHBondContact OG-CB 3.43Å
486	V	87.3	Confident	81.4	Confident	22 Å²	22	30.4 Å²	30.4	13%	0.133	17%	0.172	C	C	.	.	H	α-helix	trans	-68.3	-46.2	178.3	171.3	0	0	0	0	111.2	F482 R483 T488 G489 D491 L560 F561	F482-V486 HydrophobicContact CD1-CG2 4.09Å; F482-V486 HydrophobicContact CD2-CG2 4.08Å; F482-V486 HydrophobicContact CE1-CG2 3.59Å; F482-V486 HydrophobicContact CE2-CG2 3.54Å; F482-V486 HydrophobicContact CG-CG2 4.34Å; F482-V486 HydrophobicContact CZ-CG2 3.29Å; F482-V486 WeakPolarHBondContact O-CG2 3.32Å; F482-V486 PolarHBondContact O-N 2.89Å; R483-V486 PolarHBondContact O-N 3.36Å; V486-T488 PolarHBondContact O-N 3.25Å; V486-G489 PolarHBondContact O-N 3Å; V486-G489 VanDerWaalsContact O-N 3.12Å; V486-D491 HydrophobicContact CG2-CB 4.32Å; V486-L560 HydrophobicContact CB-CD2 4.13Å; V486-L560 HydrophobicContact CG1-CD2 4.13Å; V486-L560 HydrophobicContact CG2-CD2 4.44Å; V486-F561 HydrophobicContact CG1-CE1 4.47Å; V486-F561 HydrophobicContact CG1-CZ 4.23Å
487	L	85.6	Confident	79.4	Confident	46 Å²	46	33.6 Å²	33.6	24%	0.241	20%	0.197	C	C	.	.	H	α-helix	trans	-65.6	-21.8	-177	-69.8	-179.3	0	0	0	113.7	R483 E564 W608	R483-L487 HydrophobicContact CG-CD1 3.65Å; R483-L487 HydrophobicContact CG-CG 4.22Å; R483-L487 VanDerWaalsContact NH2-CD1 3.34Å; R483-L487 WeakPolarHBondContact O-CB 3.25Å; R483-L487 VanDerWaalsContact O-CG 3.3Å; R483-L487 WeakPolarHBondContact O-CG 3.41Å; R483-L487 PolarHBondContact O-N 3.09Å; L487-E564 HydrophobicContact CD2-CG 4.29Å; L487-W608 HydrophobicContact CB-CZ2 4.26Å
488	T	86.6	Confident	77.3	Confident	22 Å²	22	35.6 Å²	35.6	14%	0.135	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-0.9	178.9	54.4	0	0	0	0	113.3	H440 R441 A444 A484 S485 V486 L490 W608	H440-T488 HydrophobicContact CB-CG2 4.16Å; H440-T488 WeakPolarHBondContact O-CG2 3.48Å; R441-T488 HydrophobicContact CG-CG2 4.25Å; A444-T488 HydrophobicContact CB-CG2 3.68Å; A444-T488 WeakPolarHBondContact CB-OG1 3.24Å; A484-T488 WeakPolarHBondContact O-CG2 3.38Å; A484-T488 PolarHBondContact O-N 3.21Å; A484-T488 PolarHBondContact O-OG1 3.28Å; S485-T488 PolarHBondContact O-OG1 3.17Å; V486-T488 PolarHBondContact O-N 3.25Å; T488-L490 PolarHBondContact O-N 3.29Å; T488-L490 WeakPolarHBondContact OG1-CD1 3.38Å; T488-W608 HydrophobicContact CG2-CH2 3.83Å; T488-W608 HydrophobicContact CG2-CZ2 3.82Å
489	G	83	Confident	75.3	Confident	24 Å²	24	40.9 Å²	40.9	25%	0.247	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	6.1	-179.2	0	0	0	0	0	115.1	R368 S485 V486 D491	R368-G489 PolarHBondContact NH1-O 3.31Å; S485-G489 PolarHBondContact O-N 3.39Å; V486-G489 PolarHBondContact O-N 3Å; V486-G489 VanDerWaalsContact O-N 3.12Å; G489-D491 VanDerWaalsContact C-N 3.27Å; G489-D491 PolarHBondContact O-N 3.43Å
490	L	87.2	Confident	73.8	Confident	5 Å²	5	40.3 Å²	40.3	3%	0.026	24%	0.239	C	C	.	.	S	Bend	trans	-63.2	-34.8	174.6	-74.6	168.3	0	0	0	111.7	I359 A363 V370 A444 Y445 L448 S485 T488 L503	I359-L490 HydrophobicContact CG2-CD2 4.14Å; A363-L490 HydrophobicContact CB-CD2 4.25Å; A363-L490 WeakPolarHBondContact CB-O 3.17Å; V370-L490 HydrophobicContact CG1-CD2 3.61Å; V370-L490 HydrophobicContact CG1-CG 4.41Å; A444-L490 HydrophobicContact CB-CD1 3.83Å; Y445-L490 HydrophobicContact CD2-CD1 4.18Å; Y445-L490 HydrophobicContact CD2-CD2 4.49Å; Y445-L490 HydrophobicContact CE1-CD2 4.17Å; Y445-L490 HydrophobicContact CE2-CD1 4.19Å; Y445-L490 HydrophobicContact CE2-CD2 3.71Å; Y445-L490 HydrophobicContact CG-CD1 4.45Å; Y445-L490 WeakPolarHBondContact OH-CD2 3.37Å; L448-L490 HydrophobicContact CD1-CD1 3.92Å; S485-L490 PolarHBondContact O-N 3.31Å; T488-L490 PolarHBondContact O-N 3.29Å; T488-L490 WeakPolarHBondContact OG1-CD1 3.38Å; L490-L503 HydrophobicContact CB-CD2 3.97Å
491	D	83.9	Confident	72.7	Confident	9 Å²	9	47.6 Å²	47.6	5%	0.048	27%	0.271	C	S	.	.	S	Bend	trans	-107.4	160.2	173.5	-145.4	-28.1	0	0	0	111.4	R368 S485 V486 G489 L503	R368-D491 PolarHBondContact NH1-O 2.97Å; R368-D491 VanDerWaalsContact NH1-O 3.1Å; S485-D491 PolarHBondContact O-N 2.87Å; S485-D491 VanDerWaalsContact O-N 3.15Å; S485-D491 WeakPolarHBondContact OG-CB 3.43Å; V486-D491 HydrophobicContact CG2-CB 4.32Å; G489-D491 VanDerWaalsContact C-N 3.27Å; G489-D491 PolarHBondContact O-N 3.43Å; D491-L503 HydrophobicContact CB-CB 4.37Å; D491-L503 WeakPolarHBondContact OD2-CB 3.33Å; D491-L503 PolarHBondContact OD2-N 3.47Å
492	T	67	Low	72.2	Confident	32 Å²	32	47.8 Å²	47.8	20%	0.196	27%	0.272	C	S	.	.			trans	-104.4	143.4	-178.1	56.7	0	0	0	0	112	C366 I494	C366-T492 HydrophobicContact CB-CG2 3.95Å; T492-I494 PolarHBondContact O-N 3.42Å
493	E	53.6	Low	72	Confident	93 Å²	93	48.1 Å²	48.1	44%	0.435	27%	0.274	S	S	.	.			trans	-68	123	168.7	-82.6	179	-175	0	0	109.9	L420 F561	L420-E493 WeakPolarHBondContact CD2-OE2 3.24Å; E493-F561 HydrophobicContact CG-CE2 4.47Å; E493-F561 HydrophobicContact CG-CZ 3.86Å; E493-F561 VanDerWaalsContact OE1-CE1 3.23Å; E493-F561 WeakPolarHBondContact OE1-CE1 3.19Å; E493-F561 WeakPolarHBondContact OE1-CZ 3.4Å
494	I	53.3	Low	72.1	Confident	83 Å²	83	47.7 Å²	47.7	43%	0.426	27%	0.272	S	S	.	.			trans	25	109.2	159.3	-53.6	167.3	0	0	0	115.4	T492 L500	T492-I494 PolarHBondContact O-N 3.42Å; I494-L500 HydrophobicContact CB-CD1 4.36Å; I494-L500 HydrophobicContact CG1-CD1 3.73Å
495	T	47.8	Very low	72.2	Confident	60 Å²	60	47.5 Å²	47.5	37%	0.368	27%	0.271	S	S	.	.			trans	-59.3	154.3	171.1	70.7	0	0	0	0	111.4	S497 G498 K499	T495-S497 PolarHBondContact O-N 3.41Å; T495-S497 PolarHBondContact OG1-OG 2.87Å; T495-G498 PolarHBondContact O-N 3.48Å; T495-K499 PolarHBondContact OG1-O 3.36Å
496	T	41.2	Very low	72.3	Confident	164 Å²	164	48.3 Å²	48.3	100%	1.006	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-12.3	178.1	44.9	0	0	0	0	114.5
497	S	48.6	Very low	72.7	Confident	92 Å²	92	47.3 Å²	47.3	64%	0.643	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	0.2	175	61.4	0	0	0	0	113.9	T495 K499	T495-S497 PolarHBondContact O-N 3.41Å; T495-S497 PolarHBondContact OG1-OG 2.87Å; S497-K499 PolarHBondContact O-N 3.44Å
498	G	51.7	Low	73.3	Confident	44 Å²	44	45.1 Å²	45.1	45%	0.454	26%	0.26	S	S	.	.	S	Bend	trans	75.6	-1.8	-179.9	0	0	0	0	0	115	T495	T495-G498 PolarHBondContact O-N 3.48Å
499	K	52.3	Low	73.7	Confident	111 Å²	111	44.2 Å²	44.2	48%	0.483	26%	0.255	S	S	.	.			trans	-104.7	123.7	175.5	-69.9	-171.4	-179.8	-174.9	0	110.6	T495 S497 E870	T495-K499 PolarHBondContact OG1-O 3.36Å; S497-K499 PolarHBondContact O-N 3.44Å; K499-E870 IonicContact NZ-OE1 3.35Å; K499-E870 PolarHBondContact NZ-OE1 3.44Å; K499-E870 IonicContact NZ-OE2 2.75Å; K499-E870 PolarHBondContact NZ-OE2 3.04Å
500	L	62.3	Low	74.3	Confident	7 Å²	7	45 Å²	45	4%	0.037	25%	0.252	C	S	.	.			trans	-96.4	114	-179.6	-148.5	145.8	0	0	0	109.4	F482 I494 S502 V553 A557	F482-L500 HydrophobicContact CE2-CD2 4.13Å; F482-L500 HydrophobicContact CZ-CD1 4.43Å; F482-L500 HydrophobicContact CZ-CD2 4.47Å; I494-L500 HydrophobicContact CB-CD1 4.36Å; I494-L500 HydrophobicContact CG1-CD1 3.73Å; L500-S502 PolarHBondContact O-N 3.49Å; L500-V553 HydrophobicContact CD2-CG1 4Å; L500-A557 HydrophobicContact CD1-CB 4.48Å
501	K	71.3	Confident	74.7	Confident	171 Å²	171	44.8 Å²	44.8	74%	0.743	25%	0.251	S	S	*	.			trans	-84.7	93	163.7	-75.8	-169.1	177.2	-173.3	0	107.2
502	S	84.5	Confident	75.2	Confident	3 Å²	3	44.5 Å²	44.5	2%	0.021	25%	0.249	C	C	.	.			trans	-74.2	148.1	-175.5	71.3	0	0	0	0	111.4	L500 L504 G505 A506 N550	L500-S502 PolarHBondContact O-N 3.49Å; S502-L504 PolarHBondContact O-N 2.98Å; S502-G505 PolarHBondContact O-N 3.37Å; S502-G505 PolarHBondContact OG-N 3.33Å; S502-A506 PolarHBondContact O-N 3.23Å; S502-N550 WeakPolarHBondContact CB-OD1 3.4Å; S502-N550 PolarHBondContact N-OD1 3.42Å; S502-N550 PolarHBondContact OG-OD1 3.42Å
503	L	90.8	Very high	76.5	Confident	10 Å²	10	47.2 Å²	47.2	5%	0.052	26%	0.259	C	S	.	.	H	α-helix	trans	-59.5	-38.9	171.7	-178.3	58.8	0	0	0	111.2	I359 K362 L448 L490 D491 A506 L507	I359-L503 HydrophobicContact CG2-CD2 3.72Å; I359-L503 HydrophobicContact CG2-CG 4.45Å; K362-L503 HydrophobicContact CB-CD1 3.39Å; K362-L503 HydrophobicContact CG-CD1 4.31Å; L448-L503 HydrophobicContact CD1-CD2 4.23Å; L490-L503 HydrophobicContact CB-CD2 3.97Å; D491-L503 HydrophobicContact CB-CB 4.37Å; D491-L503 WeakPolarHBondContact OD2-CB 3.33Å; D491-L503 PolarHBondContact OD2-N 3.47Å; L503-A506 PolarHBondContact O-N 3Å; L503-L507 WeakPolarHBondContact O-CB 3.48Å; L503-L507 PolarHBondContact O-N 2.87Å
504	L	94.2	Very high	78.4	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-61.4	-43.9	178.4	-178.7	62.1	0	0	0	112	L448 L455 I478 A481 F482 S502 L507 V508 I549	L448-L504 HydrophobicContact CD2-CB 4.39Å; L448-L504 HydrophobicContact CD2-CD1 4.04Å; L455-L504 HydrophobicContact CD1-CD1 4.29Å; L455-L504 HydrophobicContact CD1-CD2 4.33Å; I478-L504 HydrophobicContact CG2-CD2 4.06Å; A481-L504 HydrophobicContact CB-CD1 3.88Å; A481-L504 HydrophobicContact CB-CD2 3.93Å; F482-L504 HydrophobicContact CB-CD2 4.43Å; S502-L504 PolarHBondContact O-N 2.98Å; L504-L507 PolarHBondContact O-N 3.25Å; L504-V508 HydrophobicContact CD1-CG2 4.31Å; L504-V508 WeakPolarHBondContact O-CG2 3.31Å; L504-V508 PolarHBondContact O-N 2.96Å; L504-I549 HydrophobicContact CB-CG2 4.14Å; L504-I549 HydrophobicContact CD2-CG2 3.94Å; L504-I549 HydrophobicContact CG-CG2 3.81Å
505	G	93.3	Very high	80.1	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.3	-45.8	178.5	0	0	0	0	0	112.2	S502 L507 V508 S509 E546	S502-G505 PolarHBondContact O-N 3.37Å; S502-G505 PolarHBondContact OG-N 3.33Å; G505-L507 VanDerWaalsContact C-N 3.34Å; G505-L507 PolarHBondContact O-N 2.86Å; G505-V508 PolarHBondContact O-N 3.47Å; G505-S509 PolarHBondContact O-N 2.91Å; G505-S509 VanDerWaalsContact O-N 3.14Å; G505-E546 WeakPolarHBondContact O-CB 3.43Å
506	A	93.3	Very high	82.1	Confident	17 Å²	17	42.1 Å²	42.1	14%	0.14	23%	0.226	C	C	.	.	H	α-helix	trans	-63	-40.3	176.3	0	0	0	0	0	112.1	F358 S502 L503 S509 E510	F358-A506 HydrophobicContact CE1-CB 4.32Å; F358-A506 HydrophobicContact CZ-CB 4.34Å; S502-A506 PolarHBondContact O-N 3.23Å; L503-A506 PolarHBondContact O-N 3Å; A506-S509 WeakPolarHBondContact O-CB 3.37Å; A506-S509 PolarHBondContact O-N 3.41Å; A506-E510 PolarHBondContact O-N 2.93Å
507	L	95.9	Very high	84.3	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66.4	-42.3	178.2	-177.6	64.1	0	0	0	112.1	L355 F358 I359 L448 S452 L503 L504 G505 S509 E510 V511	L355-L507 HydrophobicContact CB-CD1 4.32Å; L355-L507 HydrophobicContact CD2-CD1 4.14Å; F358-L507 HydrophobicContact CD1-CD1 3.82Å; F358-L507 HydrophobicContact CE1-CB 4.36Å; F358-L507 HydrophobicContact CE1-CD1 4.31Å; I359-L507 HydrophobicContact CD1-CD1 4.49Å; I359-L507 HydrophobicContact CD1-CD2 3.71Å; I359-L507 HydrophobicContact CG1-CD1 4.06Å; I359-L507 HydrophobicContact CG1-CD2 3.83Å; I359-L507 HydrophobicContact CG1-CG 4.5Å; L448-L507 HydrophobicContact CB-CD2 4.08Å; L448-L507 WeakPolarHBondContact O-CD2 3.46Å; S452-L507 VanDerWaalsContact OG-CD2 3.31Å; S452-L507 WeakPolarHBondContact OG-CD2 3.49Å; S452-L507 WeakPolarHBondContact OG-CG 3.48Å; L503-L507 WeakPolarHBondContact O-CB 3.48Å; L503-L507 PolarHBondContact O-N 2.87Å; L504-L507 PolarHBondContact O-N 3.25Å; G505-L507 VanDerWaalsContact C-N 3.34Å; G505-L507 PolarHBondContact O-N 2.86Å; L507-S509 VanDerWaalsContact C-N 3.31Å; L507-S509 PolarHBondContact O-N 3.39Å; L507-E510 PolarHBondContact O-N 3.37Å; L507-E510 VanDerWaalsContact O-N 3.17Å; L507-V511 HydrophobicContact CD1-CG2 4.37Å; L507-V511 HydrophobicContact CG-CG2 4.47Å; L507-V511 WeakPolarHBondContact O-CG2 3.39Å; L507-V511 PolarHBondContact O-N 3.11Å
508	V	96.6	Very high	86.3	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.5	-41.2	175.3	168.5	0	0	0	0	111.4	L455 A456 L459 L504 G505 T512 M545 I549	L455-V508 HydrophobicContact CB-CG2 3.96Å; L455-V508 HydrophobicContact CD1-CG2 4.26Å; A456-V508 HydrophobicContact CB-CG1 4.31Å; L459-V508 HydrophobicContact CD1-CG1 4.03Å; L504-V508 HydrophobicContact CD1-CG2 4.31Å; L504-V508 WeakPolarHBondContact O-CG2 3.31Å; L504-V508 PolarHBondContact O-N 2.96Å; G505-V508 PolarHBondContact O-N 3.47Å; V508-T512 WeakPolarHBondContact O-CB 2.96Å; V508-T512 PolarHBondContact O-N 2.85Å; V508-T512 PolarHBondContact O-OG1 2.91Å; V508-M545 HydrophobicContact CG1-CB 4.1Å; V508-I549 HydrophobicContact CB-CG1 4.33Å; V508-I549 HydrophobicContact CG1-CG1 4.31Å; V508-I549 HydrophobicContact CG2-CD1 4.37Å; V508-I549 HydrophobicContact CG2-CG1 4.19Å
509	S	95	Very high	88.3	Confident	3 Å²	3	34.4 Å²	34.4	2%	0.021	17%	0.165	C	C	.	.	H	α-helix	trans	-60.9	-44.7	174	-177.5	0	0	0	0	111.7	G505 A506 L507 T512 K513 P542	G505-S509 PolarHBondContact O-N 2.91Å; G505-S509 VanDerWaalsContact O-N 3.14Å; A506-S509 WeakPolarHBondContact O-CB 3.37Å; A506-S509 PolarHBondContact O-N 3.41Å; L507-S509 VanDerWaalsContact C-N 3.31Å; L507-S509 PolarHBondContact O-N 3.39Å; S509-T512 WeakPolarHBondContact O-CB 3.37Å; S509-T512 PolarHBondContact O-N 2.78Å; S509-K513 WeakPolarHBondContact O-CG 3.3Å; S509-K513 PolarHBondContact O-N 2.88Å; S509-K513 VanDerWaalsContact O-N 3.1Å; S509-K513 PolarHBondContact OG-NZ 2.88Å; S509-P542 WeakPolarHBondContact OG-CB 3.45Å; S509-P542 PolarHBondContact OG-O 2.84Å
510	E	96.1	Very high	90	Very high	42 Å²	42	31.5 Å²	31.5	20%	0.196	15%	0.152	C	C	.	.	H	α-helix	trans	-65	-45.6	179.2	-169.6	63	-165	0	0	112.3	F358 A506 L507 T512 K513 R514	F358-E510 HydrophobicContact CD2-CB 4.46Å; F358-E510 HydrophobicContact CD2-CG 3.87Å; F358-E510 HydrophobicContact CE1-CB 4.11Å; F358-E510 HydrophobicContact CE2-CB 4.03Å; F358-E510 HydrophobicContact CE2-CG 3.79Å; F358-E510 HydrophobicContact CG-CG 4.25Å; F358-E510 HydrophobicContact CZ-CB 3.83Å; F358-E510 HydrophobicContact CZ-CG 4.12Å; A506-E510 PolarHBondContact O-N 2.93Å; L507-E510 PolarHBondContact O-N 3.37Å; L507-E510 VanDerWaalsContact O-N 3.17Å; E510-T512 VanDerWaalsContact C-N 3.29Å; E510-T512 PolarHBondContact O-N 2.94Å; E510-K513 WeakPolarHBondContact O-CB 3.3Å; E510-K513 PolarHBondContact O-N 2.95Å; E510-K513 VanDerWaalsContact O-N 3.15Å; E510-R514 WeakPolarHBondContact O-CG 3.36Å; E510-R514 PolarHBondContact O-N 3.21Å; E510-R514 IonicContact OE1-CZ 2.79Å; E510-R514 IonicContact OE1-NE 3.81Å; E510-R514 PolarHBondContact OE1-NE 3.44Å; E510-R514 IonicContact OE1-NH2 3.9Å; E510-R514 PolarHBondContact OE1-NH2 2.91Å
511	V	96.4	Very high	91.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.9	-38.6	175.9	173.1	0	0	0	0	111.3	L355 R453 A456 L507 K513 R514 D515 V516	L355-V511 HydrophobicContact CD1-CG2 3.94Å; L355-V511 HydrophobicContact CD2-CG2 3.83Å; R453-V511 HydrophobicContact CB-CG1 4.34Å; R453-V511 HydrophobicContact CG-CG1 3.82Å; R453-V511 HydrophobicContact CG-CG2 4.22Å; A456-V511 HydrophobicContact CB-CB 4.1Å; A456-V511 HydrophobicContact CB-CG1 3.7Å; L507-V511 HydrophobicContact CD1-CG2 4.37Å; L507-V511 HydrophobicContact CG-CG2 4.47Å; L507-V511 WeakPolarHBondContact O-CG2 3.39Å; L507-V511 PolarHBondContact O-N 3.11Å; V511-K513 VanDerWaalsContact C-N 3.29Å; V511-K513 PolarHBondContact O-N 3.43Å; V511-R514 PolarHBondContact O-N 2.67Å; V511-D515 HydrophobicContact CG1-CB 4.24Å; V511-D515 WeakPolarHBondContact O-CB 3.31Å; V511-D515 PolarHBondContact O-N 3.26Å; V511-V516 PolarHBondContact O-N 3.39Å
512	T	94.5	Very high	92.4	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.012	14%	0.144	C	C	.	.	I	π-helix	trans	-59.9	-43.8	175.8	-57.1	0	0	0	0	110.8	V508 S509 E510 V516 L517 P542 M545	V508-T512 WeakPolarHBondContact O-CB 2.96Å; V508-T512 PolarHBondContact O-N 2.85Å; V508-T512 PolarHBondContact O-OG1 2.91Å; S509-T512 WeakPolarHBondContact O-CB 3.37Å; S509-T512 PolarHBondContact O-N 2.78Å; E510-T512 VanDerWaalsContact C-N 3.29Å; E510-T512 PolarHBondContact O-N 2.94Å; T512-V516 HydrophobicContact CG2-CB 4.25Å; T512-V516 WeakPolarHBondContact O-CB 3.38Å; T512-V516 PolarHBondContact O-N 3.44Å; T512-L517 WeakPolarHBondContact O-CG 3.34Å; T512-L517 PolarHBondContact O-N 2.91Å; T512-L517 VanDerWaalsContact O-N 3.08Å; T512-P542 HydrophobicContact CG2-CB 4.41Å; T512-P542 HydrophobicContact CG2-CG 3.98Å; T512-M545 HydrophobicContact CG2-CE 3.7Å; T512-M545 HydrophobicContact CG2-SD 3.95Å; T512-M545 PolarHBondContact OG1-SD 2.84Å; T512-M545 VanDerWaalsContact OG1-SD 3.36Å
513	K	94	Very high	92.8	Very high	90 Å²	90	27.8 Å²	27.8	39%	0.391	14%	0.144	S	C	.	.	I	π-helix	trans	-65.1	-44.8	178.6	-69	166.4	-174.1	175	0	112.1	S509 E510 V511 P542 E543	S509-K513 WeakPolarHBondContact O-CG 3.3Å; S509-K513 PolarHBondContact O-N 2.88Å; S509-K513 VanDerWaalsContact O-N 3.1Å; S509-K513 PolarHBondContact OG-NZ 2.88Å; E510-K513 WeakPolarHBondContact O-CB 3.3Å; E510-K513 PolarHBondContact O-N 2.95Å; E510-K513 VanDerWaalsContact O-N 3.15Å; V511-K513 VanDerWaalsContact C-N 3.29Å; V511-K513 PolarHBondContact O-N 3.43Å; K513-P542 HydrophobicContact CD-CB 4.37Å; K513-P542 HydrophobicContact CD-CG 4.5Å; K513-P542 VanDerWaalsContact CE-CB 3.42Å; K513-P542 HydrophobicContact CG-CB 4.09Å; K513-P542 HydrophobicContact CG-CG 3.81Å; K513-E543 WeakPolarHBondContact CE-OE1 3.32Å; K513-E543 IonicContact NZ-OE1 2.73Å; K513-E543 PolarHBondContact NZ-OE1 2.82Å
514	R	92.4	Very high	92.7	Very high	90 Å²	90	31.3 Å²	31.3	34%	0.34	16%	0.164	S	C	.	.	I	π-helix	trans	-78	-49.8	-175.3	-66.6	-176.3	-173.2	-172.4	6.3	113.4	S354 E510 V511 S518	S354-R514 PolarHBondContact O-NH1 3.43Å; S354-R514 PolarHBondContact OG-NH1 3.33Å; S354-R514 VanDerWaalsContact OG-NH1 3.17Å; E510-R514 WeakPolarHBondContact O-CG 3.36Å; E510-R514 PolarHBondContact O-N 3.21Å; E510-R514 IonicContact OE1-CZ 2.79Å; E510-R514 IonicContact OE1-NE 3.81Å; E510-R514 PolarHBondContact OE1-NE 3.44Å; E510-R514 IonicContact OE1-NH2 3.9Å; E510-R514 PolarHBondContact OE1-NH2 2.91Å; V511-R514 PolarHBondContact O-N 2.67Å; R514-S518 WeakPolarHBondContact O-CB 3.45Å
515	D	90.6	Very high	92.6	Very high	38 Å²	38	37.1 Å²	37.1	20%	0.203	20%	0.199	C	C	.	.	I	π-helix	trans	-101.6	-54.7	-165	-63.6	-2.4	0	0	0	111	R453 F457 V511 S518 L519	R453-D515 IonicContact NE-OD2 3.78Å; F457-D515 HydrophobicContact CE2-CB 4.14Å; F457-D515 HydrophobicContact CZ-CB 4.46Å; V511-D515 HydrophobicContact CG1-CB 4.24Å; V511-D515 WeakPolarHBondContact O-CB 3.31Å; V511-D515 PolarHBondContact O-N 3.26Å; D515-S518 PolarHBondContact O-N 2.99Å; D515-L519 WeakPolarHBondContact O-CB 3.39Å; D515-L519 PolarHBondContact O-N 2.92Å
516	V	89.1	Confident	92.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.209	C	C	.	.	I	π-helix	trans	-64.6	-50	-172.5	-179.9	0	0	0	0	111.2	A456 F457 S460 V511 T512 S518 K520	A456-V516 HydrophobicContact CB-CG2 4.02Å; F457-V516 HydrophobicContact CD1-CG2 4.38Å; F457-V516 HydrophobicContact CD2-CG2 3.63Å; F457-V516 HydrophobicContact CE1-CG2 4.33Å; F457-V516 HydrophobicContact CE2-CG2 3.58Å; F457-V516 HydrophobicContact CG-CG2 4.07Å; F457-V516 HydrophobicContact CZ-CG2 3.97Å; S460-V516 WeakPolarHBondContact OG-CG1 3.47Å; V511-V516 PolarHBondContact O-N 3.39Å; T512-V516 HydrophobicContact CG2-CB 4.25Å; T512-V516 WeakPolarHBondContact O-CB 3.38Å; T512-V516 PolarHBondContact O-N 3.44Å; V516-S518 VanDerWaalsContact C-N 3.34Å; V516-K520 WeakPolarHBondContact O-CB 3.49Å; V516-K520 PolarHBondContact O-N 3.46Å
517	L	88.2	Confident	92.5	Very high	83 Å²	83	39.4 Å²	39.4	44%	0.435	21%	0.211	S	C	.	.	H	α-helix	trans	-67.8	-35.7	179.7	-67	-176.8	0	0	0	111.8	T512 K520 S521	T512-L517 WeakPolarHBondContact O-CG 3.34Å; T512-L517 PolarHBondContact O-N 2.91Å; T512-L517 VanDerWaalsContact O-N 3.08Å; L517-K520 PolarHBondContact O-N 3.49Å; L517-S521 WeakPolarHBondContact O-CB 3.23Å; L517-S521 PolarHBondContact O-N 3.4Å
518	S	90.1	Very high	92.2	Very high	53 Å²	53	43.4 Å²	43.4	37%	0.371	24%	0.236	S	C	.	.	H	α-helix	trans	-63.9	-48.6	175.9	179.5	0	0	0	0	111.8	R514 D515 V516 K520 S521 F522	R514-S518 WeakPolarHBondContact O-CB 3.45Å; D515-S518 PolarHBondContact O-N 2.99Å; V516-S518 VanDerWaalsContact C-N 3.34Å; S518-K520 VanDerWaalsContact C-N 3.33Å; S518-K520 PolarHBondContact O-N 3.49Å; S518-S521 PolarHBondContact O-N 3.36Å; S518-F522 WeakPolarHBondContact O-CB 3.47Å; S518-F522 PolarHBondContact O-N 2.99Å
519	L	92.9	Very high	91.8	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-60.4	-44.1	177	-171.1	71.6	0	0	0	111.4	P97 P144 E169 F457 D515 F522 F523	P97-L519 HydrophobicContact CG-CD2 4.42Å; P144-L519 HydrophobicContact CG-CD2 3.52Å; E169-L519 WeakPolarHBondContact OE2-CD1 3.42Å; F457-L519 HydrophobicContact CE1-CD2 3.71Å; F457-L519 HydrophobicContact CZ-CD2 4.18Å; D515-L519 WeakPolarHBondContact O-CB 3.39Å; D515-L519 PolarHBondContact O-N 2.92Å; L519-F522 PolarHBondContact O-N 3.36Å; L519-F523 HydrophobicContact CD1-CD2 3.88Å; L519-F523 HydrophobicContact CD1-CE2 3.64Å; L519-F523 HydrophobicContact CG-CD2 4.05Å; L519-F523 HydrophobicContact CG-CE2 4.25Å; L519-F523 PolarHBondContact O-N 3.49Å
520	K	88.5	Confident	91.4	Very high	50 Å²	50	49.3 Å²	49.3	22%	0.217	26%	0.259	C	S	.	.	H	α-helix	trans	-61	-46.6	177	-175.5	176.8	178.8	179	0	111.2	V516 L517 S518 F522 N524 S537	V516-K520 WeakPolarHBondContact O-CB 3.49Å; V516-K520 PolarHBondContact O-N 3.46Å; L517-K520 PolarHBondContact O-N 3.49Å; S518-K520 VanDerWaalsContact C-N 3.33Å; S518-K520 PolarHBondContact O-N 3.49Å; K520-F522 VanDerWaalsContact C-N 3.31Å; K520-F522 PolarHBondContact O-N 2.85Å; K520-N524 VanDerWaalsContact O-CB 3.28Å; K520-N524 WeakPolarHBondContact O-CB 3.5Å; K520-N524 PolarHBondContact O-N 3.12Å; K520-N524 PolarHBondContact O-ND2 3.02Å; K520-N524 PolarHBondContact O-OD1 3.1Å; K520-S537 PolarHBondContact NZ-O 3.22Å
521	S	89.7	Confident	90.7	Very high	74 Å²	74	47.6 Å²	47.6	52%	0.517	25%	0.252	S	S	.	.	H	α-helix	trans	-61.3	-41.1	176.4	-172.2	0	0	0	0	111.7	L517 S518 N524 T525	L517-S521 WeakPolarHBondContact O-CB 3.23Å; L517-S521 PolarHBondContact O-N 3.4Å; S518-S521 PolarHBondContact O-N 3.36Å; S521-N524 PolarHBondContact O-N 3.02Å; S521-T525 PolarHBondContact O-OG1 3.04Å
522	F	93.6	Very high	89.6	Confident	23 Å²	23	49.5 Å²	49.5	10%	0.101	27%	0.265	C	S	.	.	H	α-helix	trans	-61.8	-53	179.1	177.5	-101.8	0	0	0	111.8	R80 R81 I84 S518 L519 K520 N524 T525 M526	R80-F522 HydrophobicContact CG-CE1 4.48Å; R81-F522 HydrophobicContact CB-CE2 4.24Å; R81-F522 HydrophobicContact CG-CE2 4.16Å; I84-F522 HydrophobicContact CB-CZ 4.34Å; I84-F522 HydrophobicContact CG1-CE1 4.21Å; I84-F522 HydrophobicContact CG1-CZ 4.35Å; I84-F522 HydrophobicContact CG2-CZ 4.4Å; S518-F522 WeakPolarHBondContact O-CB 3.47Å; S518-F522 PolarHBondContact O-N 2.99Å; L519-F522 PolarHBondContact O-N 3.36Å; K520-F522 VanDerWaalsContact C-N 3.31Å; K520-F522 PolarHBondContact O-N 2.85Å; F522-N524 VanDerWaalsContact C-N 3.31Å; F522-N524 PolarHBondContact O-N 3.16Å; F522-T525 PolarHBondContact O-N 2.94Å; F522-M526 HydrophobicContact CD2-CG 4.23Å; F522-M526 HydrophobicContact CE1-CB 4.35Å; F522-M526 HydrophobicContact CE1-CG 4.3Å; F522-M526 HydrophobicContact CE2-CG 3.81Å; F522-M526 HydrophobicContact CZ-CB 4.35Å; F522-M526 HydrophobicContact CZ-CG 3.85Å; F522-M526 WeakPolarHBondContact O-CB 3.35Å; F522-M526 PolarHBondContact O-N 3.49Å
523	F	93.4	Very high	88.9	Confident	6 Å²	6	50.8 Å²	50.8	3%	0.026	27%	0.274	C	S	.	.	H	α-helix	trans	-74.2	-20.1	-179.9	-79.7	-74.3	0	0	0	113.7	I84 V94 P97 N141 L519 T525 A527	I84-F523 HydrophobicContact CD1-CZ 4.38Å; V94-F523 HydrophobicContact CG1-CD1 4.22Å; V94-F523 HydrophobicContact CG1-CE1 3.89Å; P97-F523 VanDerWaalsContact CD-CD2 3.47Å; P97-F523 VanDerWaalsContact CD-CG 3.41Å; P97-F523 HydrophobicContact CG-CD2 3.78Å; P97-F523 HydrophobicContact CG-CE2 4.04Å; P97-F523 HydrophobicContact CG-CG 4.22Å; N141-F523 HydrophobicContact CB-CE1 4.31Å; N141-F523 HydrophobicContact CB-CZ 4.33Å; L519-F523 HydrophobicContact CD1-CD2 3.88Å; L519-F523 HydrophobicContact CD1-CE2 3.64Å; L519-F523 HydrophobicContact CG-CD2 4.05Å; L519-F523 HydrophobicContact CG-CE2 4.25Å; L519-F523 PolarHBondContact O-N 3.49Å; F523-T525 PolarHBondContact O-N 2.85Å; F523-A527 HydrophobicContact CB-CB 4.47Å; F523-A527 HydrophobicContact CD1-CB 4.24Å; F523-A527 WeakPolarHBondContact O-CB 3.27Å; F523-A527 PolarHBondContact O-N 3.39Å
524	N	89.4	Confident	88.4	Confident	85 Å²	85	48.1 Å²	48.1	46%	0.455	27%	0.266	S	S	.	.	H	α-helix	trans	-61.2	-33.3	170.2	-80.3	-13.3	0	0	0	112.8	K520 S521 F522 R530	K520-N524 VanDerWaalsContact O-CB 3.28Å; K520-N524 WeakPolarHBondContact O-CB 3.5Å; K520-N524 PolarHBondContact O-N 3.12Å; K520-N524 PolarHBondContact O-ND2 3.02Å; K520-N524 PolarHBondContact O-OD1 3.1Å; S521-N524 PolarHBondContact O-N 3.02Å; F522-N524 VanDerWaalsContact C-N 3.31Å; F522-N524 PolarHBondContact O-N 3.16Å; N524-R530 PolarHBondContact OD1-NH2 2.74Å
525	T	91	Very high	88	Confident	121 Å²	121	45.2 Å²	45.2	74%	0.742	26%	0.255	S	S	*	.	H	α-helix	trans	-94.7	-34.9	178.9	-47.3	0	0	0	0	112.4	S521 F522 F523	S521-T525 PolarHBondContact O-OG1 3.04Å; F522-T525 PolarHBondContact O-N 2.94Å; F523-T525 PolarHBondContact O-N 2.85Å
526	M	92.5	Very high	87	Confident	43 Å²	43	47.5 Å²	47.5	21%	0.212	26%	0.263	C	S	.	.	H	α-helix	trans	-91.7	-29.7	-171.8	-77.2	-66.8	177.9	0	0	115.3	V94 F522 T528	V94-M526 WeakPolarHBondContact CB-O 3.37Å; V94-M526 HydrophobicContact CG1-CB 4.43Å; F522-M526 HydrophobicContact CD2-CG 4.23Å; F522-M526 HydrophobicContact CE1-CB 4.35Å; F522-M526 HydrophobicContact CE1-CG 4.3Å; F522-M526 HydrophobicContact CE2-CG 3.81Å; F522-M526 HydrophobicContact CZ-CB 4.35Å; F522-M526 HydrophobicContact CZ-CG 3.85Å; F522-M526 WeakPolarHBondContact O-CB 3.35Å; F522-M526 PolarHBondContact O-N 3.49Å; M526-T528 PolarHBondContact O-N 3.06Å
527	A	91.8	Very high	85.3	Confident	22 Å²	22	51.4 Å²	51.4	18%	0.182	29%	0.29	C	S	.	.			trans	-68.4	125.4	-174	0	0	0	0	0	111.1	V94 A96 F523	V94-A527 CarbonylContact O-C 3.57Å; A96-A527 HydrophobicContact CB-CB 3.81Å; F523-A527 HydrophobicContact CB-CB 4.47Å; F523-A527 HydrophobicContact CD1-CB 4.24Å; F523-A527 WeakPolarHBondContact O-CB 3.27Å; F523-A527 PolarHBondContact O-N 3.39Å
528	T	90.1	Very high	84	Confident	84 Å²	84	53 Å²	53	52%	0.515	30%	0.299	S	S	.	.	S	Bend	trans	-84	-25.5	171.3	49.4	0	0	0	0	112	V94 M526	V94-T528 PolarHBondContact N-OG1 3.01Å; V94-T528 PolarHBondContact O-N 3.15Å; V94-T528 PolarHBondContact O-OG1 3.37Å; M526-T528 PolarHBondContact O-N 3.06Å
529	I	89.1	Confident	82.8	Confident	24 Å²	24	52 Å²	52	12%	0.123	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-135.9	137	-175.5	-58.7	178.4	0	0	0	109	V94 A96 E132 F133 L136	V94-I529 PolarHBondContact O-N 2.98Å; A96-I529 PolarHBondContact N-O 3.07Å; E132-I529 HydrophobicContact CB-CG2 4.13Å; F133-I529 HydrophobicContact CD1-CG2 3.87Å; F133-I529 HydrophobicContact CE1-CG2 3.67Å; L136-I529 HydrophobicContact CD1-CD1 3.38Å; L136-I529 HydrophobicContact CD1-CG2 4.07Å; L136-I529 HydrophobicContact CG-CD1 4.22Å
530	R	86.9	Confident	82.2	Confident	104 Å²	104	53 Å²	53	39%	0.392	30%	0.3	S	S	.	.			trans	-115.3	105.9	175.2	-70.3	-178.2	179.5	-98.8	4.2	109.7	A96 N524 C534	A96-R530 HydrophobicContact CB-CG 4.01Å; N524-R530 PolarHBondContact OD1-NH2 2.74Å; R530-C534 HydrophobicContact CB-CB 4.36Å
531	G	79.7	Confident	82.2	Confident	5 Å²	5	53 Å²	53	5%	0.052	30%	0.304	C	S	.	.			trans	-64.6	165.5	179.4	0	0	0	0	0	113.7	S533 C534	G531-S533 PolarHBondContact O-N 3.1Å; G531-S533 VanDerWaalsContact O-N 3.14Å; G531-C534 VanDerWaalsContact O-CB 3.23Å; G531-C534 WeakPolarHBondContact O-CB 3.29Å; G531-C534 PolarHBondContact O-N 3.38Å; G531-C534 PolarHBondContact O-SG 3.47Å; G531-C534 VanDerWaalsContact O-SG 3.36Å
532	P	74.2	Confident	82.2	Confident	41 Å²	41	50.3 Å²	50.3	27%	0.266	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-18.7	-177.6	29.2	-36.6	0	0	0	113.4	I129 C130	I129-P532 HydrophobicContact CB-CB 4.16Å; I129-P532 HydrophobicContact CG2-CB 3.8Å; C130-P532 HydrophobicContact CB-CG 4.41Å
533	S	79.6	Confident	82	Confident	28 Å²	28	53.4 Å²	53.4	20%	0.196	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101	11.9	175.6	-51.7	0	0	0	0	112.7	A98 S99 K103 G531	A98-S533 CarbonylContact C-O 3.6Å; A98-S533 WeakPolarHBondContact CA-O 3.35Å; S99-S533 PolarHBondContact N-O 2.95Å; K103-S533 WeakPolarHBondContact CE-OG 3.33Å; G531-S533 PolarHBondContact O-N 3.1Å; G531-S533 VanDerWaalsContact O-N 3.14Å
534	C	83.4	Confident	81.6	Confident	34 Å²	34	53.9 Å²	53.9	23%	0.23	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-60.9	143.4	-176.1	74.3	0	0	0	0	111.9	A96 R530 G531 K536	A96-C534 HydrophobicContact CB-CB 4.32Å; R530-C534 HydrophobicContact CB-CB 4.36Å; G531-C534 VanDerWaalsContact O-CB 3.23Å; G531-C534 WeakPolarHBondContact O-CB 3.29Å; G531-C534 PolarHBondContact O-N 3.38Å; G531-C534 PolarHBondContact O-SG 3.47Å; G531-C534 VanDerWaalsContact O-SG 3.36Å; C534-K536 PolarHBondContact O-N 3.28Å
535	R	83.6	Confident	81.7	Confident	29 Å²	29	49.8 Å²	49.8	11%	0.109	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-57.3	131	178.8	-56.9	-174.8	85.3	-123.7	-3.7	110.9	P97 A98 F457 S460 D461	P97-R535 PolarHBondContact O-N 2.84Å; A98-R535 WeakPolarHBondContact O-CG 3.45Å; F457-R535 PolarHBondContact O-NH2 2.95Å; S460-R535 PolarHBondContact OG-NH2 3.08Å; D461-R535 WeakPolarHBondContact OD1-CG 3.4Å; D461-R535 IonicContact OD1-CZ 3.57Å; D461-R535 IonicContact OD1-NE 3.53Å; D461-R535 PolarHBondContact OD1-NE 2.75Å; D461-R535 IonicContact OD1-NH2 2.8Å; D461-R535 PolarHBondContact OD1-NH2 3.39Å; D461-R535 IonicContact OD2-CZ 2.95Å; D461-R535 IonicContact OD2-NE 3.77Å; D461-R535 PolarHBondContact OD2-NE 2.95Å; D461-R535 IonicContact OD2-NH2 3.91Å; D461-R535 PolarHBondContact OD2-NH2 3.05Å
536	K	70.4	Confident	81.7	Confident	87 Å²	87	46.3 Å²	46.3	38%	0.378	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-81	163.3	-174.9	-67.6	-170.6	-173	-179.2	0	113.6	C534 Y915	C534-K536 PolarHBondContact O-N 3.28Å; K536-Y915 WeakPolarHBondContact CE-OH 3.35Å; K536-Y915 PolarHBondContact NZ-OH 3.29Å
537	S	53.6	Low	81.4	Confident	81 Å²	81	45.9 Å²	45.9	57%	0.566	26%	0.257	S	S	*	.	S	Bend	trans	-74.4	-37.9	-179.3	176.6	0	0	0	0	114	K520 A539	K520-S537 PolarHBondContact NZ-O 3.22Å; S537-A539 VanDerWaalsContact C-N 3.33Å; S537-A539 PolarHBondContact O-N 2.68Å
538	D	59.6	Low	81.2	Confident	117 Å²	117	44.9 Å²	44.9	63%	0.626	25%	0.248	S	C	*	.			trans	-90.9	68.4	-167.4	-55.6	-40.1	0	0	0	110.7	K911	D538-K911 IonicContact OD1-NZ 3.33Å; D538-K911 PolarHBondContact OD1-NZ 3.05Å; D538-K911 WeakPolarHBondContact OD2-CE 3.33Å; D538-K911 IonicContact OD2-NZ 2.87Å
539	A	66.6	Low	81.3	Confident	33 Å²	33	40.9 Å²	40.9	27%	0.273	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-86.4	150.1	179.5	0	0	0	0	0	111.2	S460 S537	S460-A539 WeakPolarHBondContact O-CB 3.31Å; S537-A539 VanDerWaalsContact C-N 3.33Å; S537-A539 PolarHBondContact O-N 2.68Å
540	L	80	Confident	81.3	Confident	23 Å²	23	40.7 Å²	40.7	12%	0.12	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-49.6	144	168.4	-65.6	167	0	0	0	110.3	L464 Q544 M545 I548 A845 I865	L464-L540 HydrophobicContact CD2-CD1 3.96Å; L540-Q544 HydrophobicContact CB-CB 4.16Å; L540-Q544 HydrophobicContact CD2-CB 4.22Å; L540-M545 HydrophobicContact CB-CE 3.97Å; L540-M545 HydrophobicContact CB-CG 3.92Å; L540-M545 HydrophobicContact CD1-CG 4.43Å; L540-M545 WeakPolarHBondContact O-CE 3.14Å; L540-I548 HydrophobicContact CD1-CD1 3.56Å; L540-A845 HydrophobicContact CD2-CB 3.82Å; L540-I865 HydrophobicContact CD2-CD1 3.75Å
541	T	87.1	Confident	81.1	Confident	48 Å²	48	37 Å²	37	29%	0.294	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-69	155.4	172.2	71.8	0	0	0	0	110.2	E543 Q544 M545	T541-E543 PolarHBondContact O-N 3.23Å; T541-Q544 WeakPolarHBondContact O-CB 3.05Å; T541-Q544 PolarHBondContact O-N 3.06Å; T541-Q544 WeakPolarHBondContact OG1-CG 3.23Å; T541-Q544 PolarHBondContact OG1-N 3.34Å; T541-Q544 VanDerWaalsContact OG1-N 3.16Å; T541-M545 WeakPolarHBondContact O-CG 3.15Å; T541-M545 PolarHBondContact O-N 3.34Å
542	P	90.9	Very high	81.4	Confident	18 Å²	18	37 Å²	37	12%	0.117	21%	0.209	C	C	.	.	H	α-helix	trans	-53.1	-37.2	174.5	-26.7	35.2	0	0	0	113.1	S509 T512 K513 M545 E546	S509-P542 WeakPolarHBondContact OG-CB 3.45Å; S509-P542 PolarHBondContact OG-O 2.84Å; T512-P542 HydrophobicContact CG2-CB 4.41Å; T512-P542 HydrophobicContact CG2-CG 3.98Å; K513-P542 HydrophobicContact CD-CB 4.37Å; K513-P542 HydrophobicContact CD-CG 4.5Å; K513-P542 VanDerWaalsContact CE-CB 3.42Å; K513-P542 HydrophobicContact CG-CB 4.09Å; K513-P542 HydrophobicContact CG-CG 3.81Å; P542-M545 PolarHBondContact O-N 3.41Å; P542-E546 PolarHBondContact O-N 2.91Å
543	E	88.3	Confident	82.1	Confident	88 Å²	88	35.1 Å²	35.1	41%	0.411	20%	0.196	S	C	.	.	H	α-helix	trans	-69	-36.2	178.2	-63.9	67.2	-142.8	0	0	112.1	K513 T541 S547	K513-E543 WeakPolarHBondContact CE-OE1 3.32Å; K513-E543 IonicContact NZ-OE1 2.73Å; K513-E543 PolarHBondContact NZ-OE1 2.82Å; T541-E543 PolarHBondContact O-N 3.23Å; E543-S547 PolarHBondContact O-N 3.15Å
544	Q	86.7	Confident	82.2	Confident	16 Å²	16	35.7 Å²	35.7	8%	0.075	20%	0.199	C	C	.	.	H	α-helix	trans	-65.7	-41.9	172.5	-77.4	166.1	-9.3	0	0	111.5	L540 T541 S547 I548 S843 S844 A845 I865	L540-Q544 HydrophobicContact CB-CB 4.16Å; L540-Q544 HydrophobicContact CD2-CB 4.22Å; T541-Q544 WeakPolarHBondContact O-CB 3.05Å; T541-Q544 PolarHBondContact O-N 3.06Å; T541-Q544 WeakPolarHBondContact OG1-CG 3.23Å; T541-Q544 PolarHBondContact OG1-N 3.34Å; T541-Q544 VanDerWaalsContact OG1-N 3.16Å; Q544-S547 WeakPolarHBondContact O-CB 3.49Å; Q544-S547 PolarHBondContact O-N 3.38Å; Q544-I548 WeakPolarHBondContact O-CD1 3.42Å; Q544-I548 WeakPolarHBondContact O-CG1 3.27Å; Q544-I548 PolarHBondContact O-N 2.86Å; Q544-S843 WeakPolarHBondContact CG-O 3.23Å; Q544-S843 PolarHBondContact NE2-O 3.28Å; Q544-S844 PolarHBondContact NE2-O 3.22Å; Q544-A845 HydrophobicContact CG-CB 4.34Å; Q544-I865 HydrophobicContact CB-CG2 4.22Å; Q544-I865 HydrophobicContact CG-CG2 4.35Å
545	M	90.7	Very high	82	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.5	-44.9	175.9	-63.3	-169.7	-155.9	0	0	111.5	L459 S460 V508 T512 L540 T541 P542 S547 I548 I549	L459-M545 HydrophobicContact CB-CG 3.89Å; L459-M545 HydrophobicContact CB-SD 3.67Å; L459-M545 HydrophobicContact CD1-CB 3.82Å; L459-M545 HydrophobicContact CD1-CG 4.09Å; L459-M545 HydrophobicContact CD1-SD 4.38Å; S460-M545 VanDerWaalsContact CA-CE 3.46Å; V508-M545 HydrophobicContact CG1-CB 4.1Å; T512-M545 HydrophobicContact CG2-CE 3.7Å; T512-M545 HydrophobicContact CG2-SD 3.95Å; T512-M545 PolarHBondContact OG1-SD 2.84Å; T512-M545 VanDerWaalsContact OG1-SD 3.36Å; L540-M545 HydrophobicContact CB-CE 3.97Å; L540-M545 HydrophobicContact CB-CG 3.92Å; L540-M545 HydrophobicContact CD1-CG 4.43Å; L540-M545 WeakPolarHBondContact O-CE 3.14Å; T541-M545 WeakPolarHBondContact O-CG 3.15Å; T541-M545 PolarHBondContact O-N 3.34Å; P542-M545 PolarHBondContact O-N 3.41Å; M545-S547 VanDerWaalsContact C-N 3.3Å; M545-S547 PolarHBondContact O-N 3.13Å; M545-I548 PolarHBondContact O-N 3.18Å; M545-I549 WeakPolarHBondContact O-CG1 3.35Å; M545-I549 PolarHBondContact O-N 2.65Å; M545-I549 VanDerWaalsContact O-N 3.1Å
546	E	91.1	Very high	82.2	Confident	47 Å²	47	36.6 Å²	36.6	22%	0.22	20%	0.198	C	C	.	.	H	α-helix	trans	-57	-43.3	173.7	175.7	171	176.1	0	0	111.9	G505 P542 I548 I549 N550	G505-E546 WeakPolarHBondContact O-CB 3.43Å; P542-E546 PolarHBondContact O-N 2.91Å; E546-I548 PolarHBondContact O-N 2.87Å; E546-I549 PolarHBondContact O-N 2.79Å; E546-N550 WeakPolarHBondContact CG-ND2 3.34Å; E546-N550 WeakPolarHBondContact O-CB 3.09Å; E546-N550 VanDerWaalsContact O-CG 3.24Å; E546-N550 PolarHBondContact O-N 2.88Å; E546-N550 PolarHBondContact O-ND2 2.85Å
547	S	86	Confident	82.8	Confident	35 Å²	35	32.7 Å²	32.7	25%	0.245	18%	0.181	C	C	.	.	H	α-helix	trans	-60.8	-44.5	177.3	179.6	0	0	0	0	112.4	E543 Q544 M545 I549 N550 E551	E543-S547 PolarHBondContact O-N 3.15Å; Q544-S547 WeakPolarHBondContact O-CB 3.49Å; Q544-S547 PolarHBondContact O-N 3.38Å; M545-S547 VanDerWaalsContact C-N 3.3Å; M545-S547 PolarHBondContact O-N 3.13Å; S547-I549 PolarHBondContact O-N 3.24Å; S547-N550 PolarHBondContact O-N 3.11Å; S547-E551 WeakPolarHBondContact O-CB 3.25Å; S547-E551 PolarHBondContact O-N 3.11Å
548	I	88.5	Confident	84.2	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.9	-46	177.5	-68.4	157.9	0	0	0	111.1	L459 L464 P465 L540 Q544 M545 E546 E551 E552 I865 T979	L459-I548 HydrophobicContact CD2-CG2 4.19Å; L464-I548 HydrophobicContact CD2-CD1 3.53Å; L464-I548 HydrophobicContact CD2-CG1 4.38Å; P465-I548 HydrophobicContact CG-CG2 3.69Å; L540-I548 HydrophobicContact CD1-CD1 3.56Å; Q544-I548 WeakPolarHBondContact O-CD1 3.42Å; Q544-I548 WeakPolarHBondContact O-CG1 3.27Å; Q544-I548 PolarHBondContact O-N 2.86Å; M545-I548 PolarHBondContact O-N 3.18Å; E546-I548 PolarHBondContact O-N 2.87Å; I548-E551 PolarHBondContact O-N 3.01Å; I548-E552 PolarHBondContact O-N 3.38Å; I548-E552 VanDerWaalsContact O-N 3.13Å; I548-I865 HydrophobicContact CD1-CD1 3.83Å; I548-I865 HydrophobicContact CD1-CG1 4.12Å; I548-I865 HydrophobicContact CD1-CG2 4.19Å; I548-I865 HydrophobicContact CG1-CD1 4.24Å; I548-I865 HydrophobicContact CG1-CG1 3.96Å; I548-I865 HydrophobicContact CG1-CG2 3.82Å; I548-T979 HydrophobicContact CG1-CG2 4.08Å
549	I	91.6	Very high	85.5	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-63.5	-48.3	179.2	-63.1	-64.8	0	0	0	110.5	L455 L459 I478 L504 V508 M545 E546 S547 E551 E552 V553	L455-I549 HydrophobicContact CD1-CD1 4.04Å; L459-I549 HydrophobicContact CD1-CD1 4.04Å; L459-I549 HydrophobicContact CD1-CG1 4.17Å; I478-I549 HydrophobicContact CD1-CD1 3.61Å; I478-I549 HydrophobicContact CG1-CD1 3.65Å; L504-I549 HydrophobicContact CB-CG2 4.14Å; L504-I549 HydrophobicContact CD2-CG2 3.94Å; L504-I549 HydrophobicContact CG-CG2 3.81Å; V508-I549 HydrophobicContact CB-CG1 4.33Å; V508-I549 HydrophobicContact CG1-CG1 4.31Å; V508-I549 HydrophobicContact CG2-CD1 4.37Å; V508-I549 HydrophobicContact CG2-CG1 4.19Å; M545-I549 WeakPolarHBondContact O-CG1 3.35Å; M545-I549 PolarHBondContact O-N 2.65Å; M545-I549 VanDerWaalsContact O-N 3.1Å; E546-I549 PolarHBondContact O-N 2.79Å; S547-I549 PolarHBondContact O-N 3.24Å; I549-E551 VanDerWaalsContact C-N 3.31Å; I549-E551 PolarHBondContact O-N 3.32Å; I549-E552 PolarHBondContact O-N 3.49Å; I549-V553 HydrophobicContact CG2-CG2 4.18Å; I549-V553 WeakPolarHBondContact O-CB 3.46Å; I549-V553 VanDerWaalsContact O-CG2 3.32Å; I549-V553 WeakPolarHBondContact O-CG2 3.22Å; I549-V553 PolarHBondContact O-N 3.46Å
550	N	87.9	Confident	86.5	Confident	20 Å²	20	29.6 Å²	29.6	11%	0.107	15%	0.15	C	C	.	.	H	α-helix	trans	-61.8	-38	-179.1	-73.9	-24.6	0	0	0	112.3	S502 E546 S547 T554	S502-N550 WeakPolarHBondContact CB-OD1 3.4Å; S502-N550 PolarHBondContact N-OD1 3.42Å; S502-N550 PolarHBondContact OG-OD1 3.42Å; E546-N550 WeakPolarHBondContact CG-ND2 3.34Å; E546-N550 WeakPolarHBondContact O-CB 3.09Å; E546-N550 VanDerWaalsContact O-CG 3.24Å; E546-N550 PolarHBondContact O-N 2.88Å; E546-N550 PolarHBondContact O-ND2 2.85Å; S547-N550 PolarHBondContact O-N 3.11Å; N550-T554 WeakPolarHBondContact O-CB 3.46Å; N550-T554 PolarHBondContact O-N 2.96Å; N550-T554 PolarHBondContact O-OG1 3.33Å
551	E	82.7	Confident	86.8	Confident	27 Å²	27	31.8 Å²	31.8	13%	0.126	16%	0.159	C	C	.	.	H	α-helix	trans	-62.1	-52.4	174.2	-170	177.3	-161.7	0	0	110.6	S547 I548 I549 V553 T554 W555 S869 Q873 Q977 K978 T979	S547-E551 WeakPolarHBondContact O-CB 3.25Å; S547-E551 PolarHBondContact O-N 3.11Å; I548-E551 PolarHBondContact O-N 3.01Å; I549-E551 VanDerWaalsContact C-N 3.31Å; I549-E551 PolarHBondContact O-N 3.32Å; E551-V553 VanDerWaalsContact C-N 3.34Å; E551-V553 PolarHBondContact O-N 2.81Å; E551-T554 PolarHBondContact O-N 3.45Å; E551-W555 PolarHBondContact O-N 3Å; E551-S869 PolarHBondContact OE1-OG 3.14Å; E551-Q873 PolarHBondContact OE1-NE2 3.09Å; E551-Q977 VanDerWaalsContact OE1-O 3.13Å; E551-K978 VanDerWaalsContact OE1-C 3.32Å; E551-T979 PolarHBondContact OE1-N 3.28Å; E551-T979 VanDerWaalsContact OE2-CA 3.31Å; E551-T979 WeakPolarHBondContact OE2-CA 3.18Å; E551-T979 WeakPolarHBondContact OE2-CB 3.21Å; E551-T979 PolarHBondContact OE2-N 2.84Å; E551-T979 PolarHBondContact OE2-OG1 2.77Å
552	E	86.6	Confident	86.9	Confident	6 Å²	6	34.6 Å²	34.6	3%	0.028	17%	0.169	C	C	.	.	H	α-helix	trans	-62.4	-39.4	-179.2	-175.8	62.2	-137.4	0	0	112.6	P465 R475 I478 H479 I548 I549 W555 F556	P465-E552 HydrophobicContact CB-CG 4.46Å; R475-E552 WeakPolarHBondContact CD-OE1 3.31Å; R475-E552 HydrophobicContact CG-CG 4.46Å; R475-E552 WeakPolarHBondContact CG-OE1 3.46Å; R475-E552 IonicContact CZ-OE1 3.95Å; R475-E552 IonicContact CZ-OE2 2.64Å; R475-E552 IonicContact NE-OE1 3.58Å; R475-E552 PolarHBondContact NE-OE1 2.95Å; R475-E552 IonicContact NE-OE2 3.98Å; R475-E552 PolarHBondContact NE-OE2 3.42Å; R475-E552 IonicContact NH2-OE1 3.5Å; R475-E552 IonicContact NH2-OE2 3.51Å; R475-E552 PolarHBondContact NH2-OE2 2.9Å; I478-E552 HydrophobicContact CB-CG 4.48Å; I478-E552 HydrophobicContact CD1-CB 4.24Å; I478-E552 HydrophobicContact CD1-CG 4.01Å; I478-E552 HydrophobicContact CG2-CB 4.33Å; I478-E552 HydrophobicContact CG2-CG 4.02Å; H479-E552 IonicContact CE1-OE1 3.46Å; H479-E552 IonicContact NE2-OE1 2.76Å; H479-E552 PolarHBondContact NE2-OE1 2.97Å; I548-E552 PolarHBondContact O-N 3.38Å; I548-E552 VanDerWaalsContact O-N 3.13Å; I549-E552 PolarHBondContact O-N 3.49Å; E552-W555 PolarHBondContact O-N 3.25Å; E552-F556 WeakPolarHBondContact O-CB 3.2Å; E552-F556 PolarHBondContact O-N 2.91Å; E552-F556 VanDerWaalsContact O-N 3.14Å
553	V	88.6	Confident	86.8	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-65.2	-44.6	177	165.2	0	0	0	0	111.8	I478 F482 L500 I549 E551 W555 F556 A557	I478-V553 HydrophobicContact CG2-CG2 3.77Å; F482-V553 HydrophobicContact CB-CG2 4.06Å; F482-V553 HydrophobicContact CD1-CG1 3.95Å; F482-V553 HydrophobicContact CD2-CB 4.28Å; F482-V553 HydrophobicContact CD2-CG1 3.32Å; F482-V553 HydrophobicContact CD2-CG2 3.91Å; F482-V553 HydrophobicContact CE1-CG1 3.75Å; F482-V553 HydrophobicContact CE2-CB 4.45Å; F482-V553 HydrophobicContact CE2-CG1 3.13Å; F482-V553 HydrophobicContact CG-CB 4.41Å; F482-V553 HydrophobicContact CG-CG1 3.72Å; F482-V553 HydrophobicContact CG-CG2 3.91Å; F482-V553 HydrophobicContact CZ-CG1 3.34Å; L500-V553 HydrophobicContact CD2-CG1 4Å; I549-V553 HydrophobicContact CG2-CG2 4.18Å; I549-V553 WeakPolarHBondContact O-CB 3.46Å; I549-V553 VanDerWaalsContact O-CG2 3.32Å; I549-V553 WeakPolarHBondContact O-CG2 3.22Å; I549-V553 PolarHBondContact O-N 3.46Å; E551-V553 VanDerWaalsContact C-N 3.34Å; E551-V553 PolarHBondContact O-N 2.81Å; V553-W555 PolarHBondContact O-N 2.89Å; V553-F556 PolarHBondContact O-N 3.23Å; V553-A557 PolarHBondContact O-N 3.07Å
554	T	82.7	Confident	86.8	Confident	40 Å²	40	31 Å²	31	25%	0.245	15%	0.15	C	C	.	.	H	α-helix	trans	-56.2	-37	178.4	-61.6	0	0	0	0	111.2	N550 E551 P558	N550-T554 WeakPolarHBondContact O-CB 3.46Å; N550-T554 PolarHBondContact O-N 2.96Å; N550-T554 PolarHBondContact O-OG1 3.33Å; E551-T554 PolarHBondContact O-N 3.45Å; T554-P558 WeakPolarHBondContact O-CD 3.34Å
555	W	79.7	Confident	86.9	Confident	80 Å²	80	35 Å²	35	30%	0.303	17%	0.168	S	C	.	.	H	α-helix	trans	-78.3	-24.1	176.2	-67.9	114.7	0	0	0	115.3	E551 E552 V553 R559 Q977	E551-W555 PolarHBondContact O-N 3Å; E552-W555 PolarHBondContact O-N 3.25Å; V553-W555 PolarHBondContact O-N 2.89Å; W555-R559 PolarHBondContact O-NE 3.21Å; W555-R559 VanDerWaalsContact O-NE 3.15Å; W555-R559 PolarHBondContact O-NH2 3.43Å; W555-Q977 HydrophobicContact CH2-CB 3.75Å; W555-Q977 HydrophobicContact CH2-CG 3.51Å; W555-Q977 HydrophobicContact CZ2-CB 3.3Å; W555-Q977 HydrophobicContact CZ2-CG 3.42Å; W555-Q977 VanDerWaalsContact CZ2-CG 3.42Å; W555-Q977 HydrophobicContact CZ3-CB 4.45Å; W555-Q977 HydrophobicContact CZ3-CG 4.45Å; W555-Q977 PolarHBondContact NE1-O 3.25Å
556	F	85.9	Confident	87	Confident	3 Å²	3	35.1 Å²	35.1	1%	0.013	17%	0.168	C	C	.	.	H	α-helix	trans	-87	-35.9	-178.2	179.1	-122	0	0	0	111.8	H479 F482 E552 V553 R559 L560 M563 M601	H479-F556 HydrophobicContact CB-CD1 3.98Å; H479-F556 HydrophobicContact CB-CD2 4.48Å; H479-F556 HydrophobicContact CB-CE1 3.68Å; H479-F556 HydrophobicContact CB-CE2 4.21Å; H479-F556 HydrophobicContact CB-CG 4.39Å; H479-F556 HydrophobicContact CB-CZ 3.82Å; H479-F556 AromaticContact CD2-CD1 3.71Å; H479-F556 AromaticContact CD2-CD2 3.96Å; H479-F556 AromaticContact CD2-CG 3.53Å; H479-F556 AromaticContact CE1-CD2 3.61Å; H479-F556 AromaticContact CE1-CG 3.9Å; H479-F556 AromaticContact CG-CD1 3.8Å; H479-F556 AromaticContact CG-CD2 3.79Å; H479-F556 AromaticContact CG-CE1 3.95Å; H479-F556 AromaticContact CG-CE2 3.94Å; H479-F556 AromaticContact CG-CG 3.73Å; H479-F556 AromaticContact ND1-CD2 3.59Å; H479-F556 AromaticContact ND1-CE2 3.74Å; H479-F556 AromaticContact ND1-CG 3.99Å; H479-F556 AromaticContact NE2-CD2 3.87Å; H479-F556 AromaticContact NE2-CG 3.66Å; H479-F556 WeakPolarHBondContact O-CE1 3.46Å; F482-F556 AromaticContact CD1-CD1 3.8Å; F482-F556 HydrophobicContact CD1-CD1 3.8Å; F482-F556 HydrophobicContact CD1-CE1 4.25Å; E552-F556 WeakPolarHBondContact O-CB 3.2Å; E552-F556 PolarHBondContact O-N 2.91Å; E552-F556 VanDerWaalsContact O-N 3.14Å; V553-F556 PolarHBondContact O-N 3.23Å; F556-R559 WeakPolarHBondContact O-CA 3.26Å; F556-R559 PolarHBondContact O-N 3.08Å; F556-L560 HydrophobicContact CE1-CB 4.11Å; F556-L560 HydrophobicContact CE1-CD1 4.01Å; F556-L560 HydrophobicContact CE1-CD2 4.43Å; F556-L560 HydrophobicContact CE1-CG 4.41Å; F556-L560 HydrophobicContact CZ-CB 4.07Å; F556-L560 HydrophobicContact CZ-CD1 3.83Å; F556-L560 HydrophobicContact CZ-CG 4.47Å; F556-L560 PolarHBondContact O-N 3.11Å; F556-M563 HydrophobicContact CE2-CE 4.46Å; F556-M563 HydrophobicContact CE2-SD 4.05Å; F556-M601 HydrophobicContact CE1-CE 4.48Å; F556-M601 HydrophobicContact CE2-CE 4.46Å; F556-M601 HydrophobicContact CZ-CE 3.71Å
557	A	84.1	Confident	87.1	Confident	4 Å²	4	33 Å²	33	3%	0.033	16%	0.158	C	C	.	.	H	α-helix	trans	-50.3	-46.6	-173.9	0	0	0	0	0	114.6	F482 L500 V553 R559 L560 F561	F482-A557 HydrophobicContact CE1-CB 3.78Å; F482-A557 HydrophobicContact CZ-CB 4Å; L500-A557 HydrophobicContact CD1-CB 4.48Å; V553-A557 PolarHBondContact O-N 3.07Å; A557-R559 VanDerWaalsContact C-N 3.29Å; A557-R559 PolarHBondContact O-N 3.01Å; A557-L560 PolarHBondContact O-N 3.42Å; A557-F561 VanDerWaalsContact O-CD2 3.31Å; A557-F561 WeakPolarHBondContact O-CD2 3.3Å; A557-F561 WeakPolarHBondContact O-CE2 3.39Å
558	P	82.4	Confident	87.3	Confident	70 Å²	70	33.3 Å²	33.3	46%	0.455	16%	0.157	S	C	.	.	H	α-helix	trans	-64.7	-31.7	178.1	-21.7	34.1	0	0	0	113.5	T554 H562	T554-P558 WeakPolarHBondContact O-CD 3.34Å; P558-H562 PolarHBondContact O-CD2 2.72Å; P558-H562 VanDerWaalsContact O-CD2 3.26Å
559	R	86.8	Confident	87.4	Confident	96 Å²	96	38 Å²	38	36%	0.362	18%	0.175	S	C	.	.	H	α-helix	trans	-79.3	-29.7	-178.5	-72.6	-179.3	-78.1	154.3	1.3	112.6	W555 F556 A557 F561 H562 M563	W555-R559 PolarHBondContact O-NE 3.21Å; W555-R559 VanDerWaalsContact O-NE 3.15Å; W555-R559 PolarHBondContact O-NH2 3.43Å; F556-R559 WeakPolarHBondContact O-CA 3.26Å; F556-R559 PolarHBondContact O-N 3.08Å; A557-R559 VanDerWaalsContact C-N 3.29Å; A557-R559 PolarHBondContact O-N 3.01Å; R559-F561 VanDerWaalsContact C-N 3.34Å; R559-F561 PolarHBondContact O-N 3.09Å; R559-H562 PolarHBondContact O-N 3.33Å; R559-M563 WeakPolarHBondContact O-CG 3.17Å; R559-M563 PolarHBondContact O-N 3.02Å; R559-M563 VanDerWaalsContact O-N 3.1Å
560	L	88.5	Confident	87.4	Confident	1 Å²	1	38 Å²	38	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-52.9	-49.7	-180	175.4	59.6	0	0	0	111.6	F482 R483 V486 F556 A557 H562 M563 E564	F482-L560 HydrophobicContact CD1-CD2 4.4Å; F482-L560 HydrophobicContact CE1-CD2 4.33Å; R483-L560 HydrophobicContact CB-CD1 3.9Å; R483-L560 HydrophobicContact CB-CD2 4.44Å; R483-L560 HydrophobicContact CG-CD1 3.85Å; V486-L560 HydrophobicContact CB-CD2 4.13Å; V486-L560 HydrophobicContact CG1-CD2 4.13Å; V486-L560 HydrophobicContact CG2-CD2 4.44Å; F556-L560 HydrophobicContact CE1-CB 4.11Å; F556-L560 HydrophobicContact CE1-CD1 4.01Å; F556-L560 HydrophobicContact CE1-CD2 4.43Å; F556-L560 HydrophobicContact CE1-CG 4.41Å; F556-L560 HydrophobicContact CZ-CB 4.07Å; F556-L560 HydrophobicContact CZ-CD1 3.83Å; F556-L560 HydrophobicContact CZ-CG 4.47Å; F556-L560 PolarHBondContact O-N 3.11Å; A557-L560 PolarHBondContact O-N 3.42Å; L560-H562 VanDerWaalsContact C-N 3.32Å; L560-H562 PolarHBondContact O-N 3.21Å; L560-M563 WeakPolarHBondContact O-CB 3.34Å; L560-M563 PolarHBondContact O-N 2.75Å; L560-M563 VanDerWaalsContact O-N 3.07Å; L560-E564 HydrophobicContact CD1-CG 4.13Å; L560-E564 PolarHBondContact O-N 3.49Å
561	F	85.9	Confident	87.3	Confident	68 Å²	68	39.2 Å²	39.2	30%	0.298	18%	0.181	S	C	.	.	H	α-helix	trans	-62	-37.5	-178	-60.9	-71.5	0	0	0	113.5	V486 E493 A557 R559 M563 K565	V486-F561 HydrophobicContact CG1-CE1 4.47Å; V486-F561 HydrophobicContact CG1-CZ 4.23Å; E493-F561 HydrophobicContact CG-CE2 4.47Å; E493-F561 HydrophobicContact CG-CZ 3.86Å; E493-F561 VanDerWaalsContact OE1-CE1 3.23Å; E493-F561 WeakPolarHBondContact OE1-CE1 3.19Å; E493-F561 WeakPolarHBondContact OE1-CZ 3.4Å; A557-F561 VanDerWaalsContact O-CD2 3.31Å; A557-F561 WeakPolarHBondContact O-CD2 3.3Å; A557-F561 WeakPolarHBondContact O-CE2 3.39Å; R559-F561 VanDerWaalsContact C-N 3.34Å; R559-F561 PolarHBondContact O-N 3.09Å; F561-M563 VanDerWaalsContact C-N 3.34Å; F561-K565 WeakPolarHBondContact O-CB 3.43Å; F561-K565 PolarHBondContact O-N 3.49Å
562	H	88.8	Confident	87.5	Confident	108 Å²	108	44.8 Å²	44.8	50%	0.5	21%	0.207	S	C	.	.	H	α-helix	trans	-67.4	-37.1	175.7	-65.5	-60.5	0	0	0	111.9	P558 R559 L560 S566 H595	P558-H562 PolarHBondContact O-CD2 2.72Å; P558-H562 VanDerWaalsContact O-CD2 3.26Å; R559-H562 PolarHBondContact O-N 3.33Å; L560-H562 VanDerWaalsContact C-N 3.32Å; L560-H562 PolarHBondContact O-N 3.21Å; H562-S566 WeakPolarHBondContact O-CB 3.5Å; H562-S566 PolarHBondContact O-N 3.07Å; H562-S566 VanDerWaalsContact O-N 3.09Å; H562-S566 PolarHBondContact O-OG 3.25Å; H562-H595 HydrophobicContact CB-CB 3.91Å
563	M	88.5	Confident	87.3	Confident	16 Å²	16	49.9 Å²	49.9	8%	0.079	23%	0.231	C	C	.	.	H	α-helix	trans	-69.2	-42.7	177	-69.2	171.6	57.3	0	0	111.8	F556 R559 L560 F561 S566 F567 V597 M601 Q605	F556-M563 HydrophobicContact CE2-CE 4.46Å; F556-M563 HydrophobicContact CE2-SD 4.05Å; R559-M563 WeakPolarHBondContact O-CG 3.17Å; R559-M563 PolarHBondContact O-N 3.02Å; R559-M563 VanDerWaalsContact O-N 3.1Å; L560-M563 WeakPolarHBondContact O-CB 3.34Å; L560-M563 PolarHBondContact O-N 2.75Å; L560-M563 VanDerWaalsContact O-N 3.07Å; F561-M563 VanDerWaalsContact C-N 3.34Å; M563-S566 PolarHBondContact O-N 3.19Å; M563-F567 PolarHBondContact O-N 3.42Å; M563-V597 HydrophobicContact CB-CG2 4.32Å; M563-V597 HydrophobicContact CE-CG1 4.15Å; M563-V597 HydrophobicContact CG-CG2 4.43Å; M563-M601 HydrophobicContact CE-CB 3.67Å; M563-M601 HydrophobicContact CE-CE 4.26Å; M563-M601 HydrophobicContact CE-CG 3.55Å; M563-Q605 PolarHBondContact O-NE2 3.25Å
564	E	89.9	Confident	86.7	Confident	13 Å²	13	50.7 Å²	50.7	6%	0.061	24%	0.236	C	C	.	.	H	α-helix	trans	-62.3	-44.1	174.7	-67.1	-51.9	117.2	0	0	111.9	R483 L487 L560 S566 F567 N568 Q605	R483-E564 WeakPolarHBondContact CD-OE1 3.33Å; R483-E564 IonicContact CZ-OE1 2.97Å; R483-E564 IonicContact CZ-OE2 3.55Å; R483-E564 IonicContact NE-OE1 2.93Å; R483-E564 PolarHBondContact NE-OE1 3.42Å; R483-E564 IonicContact NE-OE2 3.54Å; R483-E564 PolarHBondContact NE-OE2 3.44Å; R483-E564 IonicContact NH2-OE1 3.75Å; R483-E564 PolarHBondContact NH2-OE1 2.88Å; R483-E564 IonicContact NH2-OE2 2.8Å; R483-E564 PolarHBondContact NH2-OE2 2.93Å; L487-E564 HydrophobicContact CD2-CG 4.29Å; L560-E564 HydrophobicContact CD1-CG 4.13Å; L560-E564 PolarHBondContact O-N 3.49Å; E564-S566 VanDerWaalsContact C-N 3.28Å; E564-S566 PolarHBondContact O-N 2.81Å; E564-F567 PolarHBondContact O-N 3.15Å; E564-N568 PolarHBondContact O-N 2.86Å; E564-N568 PolarHBondContact O-ND2 2.87Å; E564-Q605 PolarHBondContact OE1-NE2 3.11Å
565	K	88.6	Confident	86.2	Confident	101 Å²	101	55.4 Å²	55.4	44%	0.439	27%	0.266	S	S	.	.	H	α-helix	trans	-62.4	-37.6	177.8	-168	171.6	-170.8	169.8	0	112.3	F561 R569	F561-K565 WeakPolarHBondContact O-CB 3.43Å; F561-K565 PolarHBondContact O-N 3.49Å; K565-R569 WeakPolarHBondContact O-CG 3.35Å; K565-R569 PolarHBondContact O-N 3.29Å
566	S	92.4	Very high	85.7	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.014	27%	0.27	C	S	.	.	H	α-helix	trans	-67.9	-41.1	177.5	-56.6	0	0	0	0	111.4	H562 M563 E564 R569 C570 Y593 H595	H562-S566 WeakPolarHBondContact O-CB 3.5Å; H562-S566 PolarHBondContact O-N 3.07Å; H562-S566 VanDerWaalsContact O-N 3.09Å; H562-S566 PolarHBondContact O-OG 3.25Å; M563-S566 PolarHBondContact O-N 3.19Å; E564-S566 VanDerWaalsContact C-N 3.28Å; E564-S566 PolarHBondContact O-N 2.81Å; S566-R569 PolarHBondContact O-N 3.24Å; S566-C570 PolarHBondContact O-N 3.46Å; S566-Y593 WeakPolarHBondContact O-CB 3.45Å; S566-H595 WeakPolarHBondContact OG-CB 3.32Å; S566-H595 PolarHBondContact OG-N 2.91Å; S566-H595 PolarHBondContact OG-O 2.94Å
567	F	93.1	Very high	84.8	Confident	3 Å²	3	62.7 Å²	62.7	1%	0.013	30%	0.298	C	S	.	.	H	α-helix	trans	-65.3	-43.3	175.8	-168.1	-93.8	0	0	0	112.5	M563 E564 R569 C570 L571 L580 L588 I602 Q605 A609	M563-F567 PolarHBondContact O-N 3.42Å; E564-F567 PolarHBondContact O-N 3.15Å; F567-R569 VanDerWaalsContact C-N 3.33Å; F567-R569 PolarHBondContact O-N 2.92Å; F567-C570 WeakPolarHBondContact O-CA 3.4Å; F567-C570 VanDerWaalsContact O-CB 3.3Å; F567-C570 WeakPolarHBondContact O-CB 3.31Å; F567-C570 PolarHBondContact O-N 3.39Å; F567-L571 HydrophobicContact CD1-CD1 3.87Å; F567-L571 HydrophobicContact CD1-CG 3.98Å; F567-L571 HydrophobicContact CE1-CD1 3.63Å; F567-L571 HydrophobicContact CE1-CD2 3.96Å; F567-L571 HydrophobicContact CE1-CG 3.72Å; F567-L571 HydrophobicContact CZ-CD2 4.35Å; F567-L571 HydrophobicContact CZ-CG 4.49Å; F567-L571 PolarHBondContact O-N 3.32Å; F567-L580 HydrophobicContact CE2-CD1 3.66Å; F567-L580 HydrophobicContact CZ-CD1 4.01Å; F567-L588 HydrophobicContact CD2-CD1 3.81Å; F567-L588 HydrophobicContact CD2-CD2 4.45Å; F567-L588 HydrophobicContact CE2-CD1 4.12Å; F567-I602 HydrophobicContact CE2-CG2 4.31Å; F567-Q605 HydrophobicContact CB-CG 4.49Å; F567-Q605 HydrophobicContact CD1-CB 3.74Å; F567-Q605 HydrophobicContact CD1-CG 4.42Å; F567-Q605 HydrophobicContact CD2-CB 3.57Å; F567-Q605 HydrophobicContact CD2-CG 4.21Å; F567-Q605 HydrophobicContact CE1-CB 3.66Å; F567-Q605 HydrophobicContact CE2-CB 3.5Å; F567-Q605 VanDerWaalsContact CE2-CB 3.5Å; F567-Q605 HydrophobicContact CG-CB 3.69Å; F567-Q605 HydrophobicContact CG-CG 4.13Å; F567-Q605 VanDerWaalsContact CZ-C 3.5Å; F567-Q605 HydrophobicContact CZ-CB 3.56Å; F567-A609 HydrophobicContact CE1-CB 4.3Å
568	N	89.7	Confident	84.6	Confident	42 Å²	42	70.1 Å²	70.1	23%	0.225	33%	0.326	C	S	.	.	H	α-helix	trans	-60.9	-40.4	177.9	-72.6	-24.2	0	0	0	112.4	E564 C570 L571 E572	E564-N568 PolarHBondContact O-N 2.86Å; E564-N568 PolarHBondContact O-ND2 2.87Å; N568-C570 VanDerWaalsContact C-N 3.31Å; N568-C570 PolarHBondContact O-N 3.41Å; N568-L571 WeakPolarHBondContact O-CB 3.3Å; N568-L571 PolarHBondContact O-N 3.37Å; N568-L571 VanDerWaalsContact O-N 3.14Å; N568-E572 WeakPolarHBondContact O-CG 3.49Å; N568-E572 PolarHBondContact O-N 3.02Å; N568-E572 VanDerWaalsContact O-N 3.09Å
569	R	90.2	Very high	84.7	Confident	99 Å²	99	68.3 Å²	68.3	37%	0.374	31%	0.311	S	S	.	.	H	α-helix	trans	-60.9	-39.8	172.4	-71.7	169.4	-178.7	175.5	-4.2	112.3	K565 S566 F567 L571 E572 Y593	K565-R569 WeakPolarHBondContact O-CG 3.35Å; K565-R569 PolarHBondContact O-N 3.29Å; S566-R569 PolarHBondContact O-N 3.24Å; F567-R569 VanDerWaalsContact C-N 3.33Å; F567-R569 PolarHBondContact O-N 2.92Å; R569-L571 VanDerWaalsContact C-N 3.31Å; R569-L571 PolarHBondContact O-N 2.86Å; R569-E572 WeakPolarHBondContact O-CB 3.4Å; R569-E572 PolarHBondContact O-N 2.91Å; R569-Y593 HydrophobicContact CB-CD1 4.13Å; R569-Y593 WeakPolarHBondContact CD-O 3.47Å; R569-Y593 PolarHBondContact NH1-O 2.67Å
570	C	92	Very high	84.8	Confident	0 Å²	0	64 Å²	64	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-64.2	-35.8	174.9	-178.1	0	0	0	0	112.4	S566 F567 N568 E572 E573 C574 Q584 L588 Y593	S566-C570 PolarHBondContact O-N 3.46Å; F567-C570 WeakPolarHBondContact O-CA 3.4Å; F567-C570 VanDerWaalsContact O-CB 3.3Å; F567-C570 WeakPolarHBondContact O-CB 3.31Å; F567-C570 PolarHBondContact O-N 3.39Å; N568-C570 VanDerWaalsContact C-N 3.31Å; N568-C570 PolarHBondContact O-N 3.41Å; C570-E572 VanDerWaalsContact C-N 3.35Å; C570-E573 PolarHBondContact O-N 3.15Å; C570-C574 PolarHBondContact O-N 2.85Å; C570-Q584 PolarHBondContact O-NE2 2.91Å; C570-L588 HydrophobicContact CB-CD1 3.98Å; C570-L588 HydrophobicContact CB-CD2 3.82Å; C570-L588 HydrophobicContact CB-CG 3.94Å; C570-Y593 HydrophobicContact CB-CD1 4.33Å; C570-Y593 HydrophobicContact CB-CD2 3.73Å; C570-Y593 HydrophobicContact CB-CE1 4.2Å; C570-Y593 HydrophobicContact CB-CE2 3.54Å; C570-Y593 HydrophobicContact CB-CG 4.11Å; C570-Y593 VanDerWaalsContact SG-CE2 3.54Å
571	L	86.9	Confident	84.9	Confident	45 Å²	45	66.3 Å²	66.3	24%	0.236	31%	0.312	C	S	.	.	H	α-helix	trans	-67.9	-33.6	176	-73.1	179.6	0	0	0	112.5	F567 N568 R569 E573 C574 L580 A609 L611	F567-L571 HydrophobicContact CD1-CD1 3.87Å; F567-L571 HydrophobicContact CD1-CG 3.98Å; F567-L571 HydrophobicContact CE1-CD1 3.63Å; F567-L571 HydrophobicContact CE1-CD2 3.96Å; F567-L571 HydrophobicContact CE1-CG 3.72Å; F567-L571 HydrophobicContact CZ-CD2 4.35Å; F567-L571 HydrophobicContact CZ-CG 4.49Å; F567-L571 PolarHBondContact O-N 3.32Å; N568-L571 WeakPolarHBondContact O-CB 3.3Å; N568-L571 PolarHBondContact O-N 3.37Å; N568-L571 VanDerWaalsContact O-N 3.14Å; R569-L571 VanDerWaalsContact C-N 3.31Å; R569-L571 PolarHBondContact O-N 2.86Å; L571-E573 PolarHBondContact O-N 3.21Å; L571-C574 WeakPolarHBondContact O-CB 3.45Å; L571-C574 PolarHBondContact O-N 2.65Å; L571-L580 HydrophobicContact CD2-CD2 4.28Å; L571-A609 HydrophobicContact CD1-CB 4.18Å; L571-L611 HydrophobicContact CD2-CD1 3.72Å
572	E	85.4	Confident	85	Confident	144 Å²	144	66.1 Å²	66.1	67%	0.673	32%	0.323	S	S	*	.	H	α-helix	trans	-60.3	-31.1	175.3	-69.9	168.5	-172.2	0	0	112.2	N568 R569 C570	N568-E572 WeakPolarHBondContact O-CG 3.49Å; N568-E572 PolarHBondContact O-N 3.02Å; N568-E572 VanDerWaalsContact O-N 3.09Å; R569-E572 WeakPolarHBondContact O-CB 3.4Å; R569-E572 PolarHBondContact O-N 2.91Å; C570-E572 VanDerWaalsContact C-N 3.35Å
573	E	83.7	Confident	85.1	Confident	113 Å²	113	66.8 Å²	66.8	53%	0.528	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-7.1	175.2	-66.6	-174.3	-167.5	0	0	113.8	C570 L571 T575 Y593	C570-E573 PolarHBondContact O-N 3.15Å; L571-E573 PolarHBondContact O-N 3.21Å; E573-T575 PolarHBondContact O-N 3.17Å; E573-Y593 HydrophobicContact CG-CE1 4.49Å; E573-Y593 PolarHBondContact OE2-OH 2.69Å
574	C	76.1	Confident	85.2	Confident	16 Å²	16	66.9 Å²	66.9	11%	0.108	33%	0.326	C	S	.	.			trans	-78.9	112.2	-170.9	-159.6	0	0	0	0	112.7	C570 L571 D576 Q584	C570-C574 PolarHBondContact O-N 2.85Å; L571-C574 WeakPolarHBondContact O-CB 3.45Å; L571-C574 PolarHBondContact O-N 2.65Å; C574-D576 PolarHBondContact SG-O 3.44Å; C574-Q584 VanDerWaalsContact CA-NE2 3.26Å; C574-Q584 VanDerWaalsContact CB-NE2 3.33Å; C574-Q584 PolarHBondContact SG-NE2 3.4Å; C574-Q584 VanDerWaalsContact SG-NE2 3.4Å
575	T	71.7	Confident	85.3	Confident	140 Å²	140	66.3 Å²	66.3	86%	0.859	32%	0.324	S	S	*	.			trans	-86.2	-38.2	177.8	52.9	0	0	0	0	112.8	E573	E573-T575 PolarHBondContact O-N 3.17Å
576	D	68.5	Low	85.4	Confident	76 Å²	76	64.1 Å²	64.1	41%	0.406	32%	0.319	S	S	.	.			trans	-89.2	106.1	173.8	-168.8	-12.1	0	0	0	110.5	C574 R578	C574-D576 PolarHBondContact SG-O 3.44Å; D576-R578 PolarHBondContact O-N 3.44Å; D576-R578 PolarHBondContact OD1-N 3.05Å; D576-R578 IonicContact OD1-NE 2.65Å
577	R	68.5	Low	85.5	Confident	159 Å²	159	66.8 Å²	66.8	60%	0.6	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	16.4	-174.8	-60.9	-170.2	178.6	-167.4	-0.4	114.2	W402 L611	W402-R577 VanDerWaalsContact CE3-NH1 3.27Å; R577-L611 VanDerWaalsContact C-CD2 3.47Å; R577-L611 WeakPolarHBondContact O-CD2 3.39Å
578	R	78.6	Confident	85.5	Confident	160 Å²	160	66.7 Å²	66.7	60%	0.604	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-35.6	174.6	-70.6	-179.7	-74.5	-174.2	-5.4	113.1	D576 L612	D576-R578 PolarHBondContact O-N 3.44Å; D576-R578 PolarHBondContact OD1-N 3.05Å; D576-R578 IonicContact OD1-NE 2.65Å; R578-L612 PolarHBondContact O-N 3.5Å
579	Q	85.2	Confident	85.5	Confident	32 Å²	32	67.2 Å²	67.2	15%	0.15	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-159.6	146.7	-175.3	-167.1	-176.1	48.9	0	0	109.9	Y26 L612 P613	Y26-Q579 PolarHBondContact OH-NE2 2.91Å; Y26-Q579 PolarHBondContact OH-OE1 2.94Å; Q579-L612 HydrophobicContact CB-CB 4.36Å; Q579-L612 HydrophobicContact CG-CB 4.29Å; Q579-P613 PolarHBondContact NE2-O 3.35Å
580	L	88.4	Confident	85.4	Confident	5 Å²	5	66.1 Å²	66.1	3%	0.026	33%	0.333	C	S	.	.			trans	-67.3	139.9	171.6	-62.5	179	0	0	0	111.5	F567 L571 V585 L588 I602 L611	F567-L580 HydrophobicContact CE2-CD1 3.66Å; F567-L580 HydrophobicContact CZ-CD1 4.01Å; L571-L580 HydrophobicContact CD2-CD2 4.28Å; L580-V585 HydrophobicContact CB-CG2 3.92Å; L580-V585 HydrophobicContact CD1-CG2 4.44Å; L580-L588 HydrophobicContact CD1-CD1 4.06Å; L580-I602 HydrophobicContact CD1-CG2 3.91Å; L580-L611 HydrophobicContact CD2-CD1 4.03Å; L580-L611 HydrophobicContact CG-CD1 4.17Å
581	S	89.9	Confident	85.3	Confident	51 Å²	51	66.8 Å²	66.8	36%	0.357	34%	0.34	S	S	.	.			trans	-69.9	156.7	172.3	67.8	0	0	0	0	112	E583 Q584 V585	S581-E583 PolarHBondContact O-N 2.91Å; S581-Q584 PolarHBondContact O-N 3.2Å; S581-Q584 VanDerWaalsContact O-N 3.15Å; S581-Q584 WeakPolarHBondContact OG-CB 3.38Å; S581-Q584 VanDerWaalsContact OG-CG 3.29Å; S581-Q584 WeakPolarHBondContact OG-CG 3.44Å; S581-Q584 PolarHBondContact OG-N 3.17Å; S581-Q584 PolarHBondContact OG-OE1 3.36Å; S581-V585 WeakPolarHBondContact O-CG2 3.35Å; S581-V585 PolarHBondContact O-N 3.19Å; S581-V585 VanDerWaalsContact O-N 3.08Å
582	A	88.5	Confident	85.6	Confident	64 Å²	64	69.6 Å²	69.6	53%	0.529	36%	0.355	S	S	.	.	H	α-helix	trans	-58.8	-32.8	177	0	0	0	0	0	112.8	T586 I617	A582-T586 WeakPolarHBondContact O-CB 3.41Å; A582-T586 PolarHBondContact O-N 3.32Å; A582-T586 PolarHBondContact O-OG1 2.89Å; A582-I617 HydrophobicContact CB-CD1 4.09Å; A582-I617 HydrophobicContact CB-CG1 4.46Å; A582-I617 VanDerWaalsContact O-CD1 3.29Å; A582-I617 WeakPolarHBondContact O-CD1 3.31Å
583	E	90.3	Very high	85.9	Confident	122 Å²	122	63.5 Å²	63.5	57%	0.57	33%	0.326	S	S	*	.	H	α-helix	trans	-65.9	-48.3	175.6	-172.6	-172.4	151.7	0	0	111.4	S581 V585 T586 K587	S581-E583 PolarHBondContact O-N 2.91Å; E583-V585 PolarHBondContact O-N 2.98Å; E583-T586 WeakPolarHBondContact O-CB 3.44Å; E583-T586 PolarHBondContact O-N 3.4Å; E583-T586 VanDerWaalsContact O-N 3.15Å; E583-K587 HydrophobicContact CG-CD 4.38Å; E583-K587 WeakPolarHBondContact O-CG 3.44Å; E583-K587 PolarHBondContact O-N 2.92Å; E583-K587 VanDerWaalsContact OE1-CE 3.24Å; E583-K587 WeakPolarHBondContact OE1-CE 3.39Å; E583-K587 IonicContact OE1-NZ 3.72Å; E583-K587 PolarHBondContact OE1-NZ 3.14Å
584	Q	92	Very high	86.1	Confident	17 Å²	17	60.8 Å²	60.8	8%	0.079	33%	0.328	C	S	.	.	H	α-helix	trans	-59.9	-44.7	178.9	-78.5	169.6	-55.9	0	0	112.4	C570 C574 S581 T586 K587 L588	C570-Q584 PolarHBondContact O-NE2 2.91Å; C574-Q584 VanDerWaalsContact CA-NE2 3.26Å; C574-Q584 VanDerWaalsContact CB-NE2 3.33Å; C574-Q584 PolarHBondContact SG-NE2 3.4Å; C574-Q584 VanDerWaalsContact SG-NE2 3.4Å; S581-Q584 PolarHBondContact O-N 3.2Å; S581-Q584 VanDerWaalsContact O-N 3.15Å; S581-Q584 WeakPolarHBondContact OG-CB 3.38Å; S581-Q584 VanDerWaalsContact OG-CG 3.29Å; S581-Q584 WeakPolarHBondContact OG-CG 3.44Å; S581-Q584 PolarHBondContact OG-N 3.17Å; S581-Q584 PolarHBondContact OG-OE1 3.36Å; Q584-T586 VanDerWaalsContact C-N 3.33Å; Q584-T586 PolarHBondContact O-N 2.65Å; Q584-K587 PolarHBondContact O-N 3.41Å; Q584-L588 PolarHBondContact O-N 3.37Å
585	V	91.7	Very high	86.8	Confident	1 Å²	1	62.9 Å²	62.9	1%	0.006	34%	0.336	C	S	.	.	H	α-helix	trans	-61.4	-44.2	175.3	173.1	0	0	0	0	110.7	L580 S581 E583 K587 L588 M589 W599 I602 P614 I617	L580-V585 HydrophobicContact CB-CG2 3.92Å; L580-V585 HydrophobicContact CD1-CG2 4.44Å; S581-V585 WeakPolarHBondContact O-CG2 3.35Å; S581-V585 PolarHBondContact O-N 3.19Å; S581-V585 VanDerWaalsContact O-N 3.08Å; E583-V585 PolarHBondContact O-N 2.98Å; V585-K587 VanDerWaalsContact C-N 3.32Å; V585-K587 PolarHBondContact O-N 3.29Å; V585-L588 PolarHBondContact O-N 3.35Å; V585-M589 HydrophobicContact CG1-CG 4.44Å; V585-M589 HydrophobicContact CG1-SD 4.14Å; V585-M589 WeakPolarHBondContact O-CG 3.29Å; V585-M589 PolarHBondContact O-N 3Å; V585-W599 HydrophobicContact CG1-CE3 3.99Å; V585-W599 HydrophobicContact CG1-CZ3 3.76Å; V585-I602 HydrophobicContact CG1-CD1 4.02Å; V585-I602 HydrophobicContact CG2-CG2 4.33Å; V585-P614 HydrophobicContact CG2-CB 3.68Å; V585-P614 HydrophobicContact CG2-CG 4.09Å; V585-I617 HydrophobicContact CB-CD1 3.54Å; V585-I617 HydrophobicContact CG1-CD1 3.38Å; V585-I617 HydrophobicContact CG1-CG1 4.26Å; V585-I617 HydrophobicContact CG2-CD1 4.42Å
586	T	90.9	Very high	87.6	Confident	55 Å²	55	61.8 Å²	61.8	34%	0.337	32%	0.321	S	S	.	.	H	α-helix	trans	-60.6	-43.4	177.9	-58.8	0	0	0	0	111	A582 E583 Q584 M589 N590	A582-T586 WeakPolarHBondContact O-CB 3.41Å; A582-T586 PolarHBondContact O-N 3.32Å; A582-T586 PolarHBondContact O-OG1 2.89Å; E583-T586 WeakPolarHBondContact O-CB 3.44Å; E583-T586 PolarHBondContact O-N 3.4Å; E583-T586 VanDerWaalsContact O-N 3.15Å; Q584-T586 VanDerWaalsContact C-N 3.33Å; Q584-T586 PolarHBondContact O-N 2.65Å; T586-M589 PolarHBondContact O-N 3.34Å; T586-N590 WeakPolarHBondContact O-CB 3.45Å; T586-N590 VanDerWaalsContact O-CG 3.27Å; T586-N590 PolarHBondContact O-N 3.41Å; T586-N590 PolarHBondContact O-ND2 3.38Å
587	K	93.4	Very high	88.7	Confident	59 Å²	59	58.3 Å²	58.3	26%	0.257	30%	0.303	S	S	.	.	H	α-helix	trans	-61.1	-42.9	175.3	-76.4	177.3	170.3	169.6	0	112.6	E583 Q584 V585 N590 G591 D592 Y593	E583-K587 HydrophobicContact CG-CD 4.38Å; E583-K587 WeakPolarHBondContact O-CG 3.44Å; E583-K587 PolarHBondContact O-N 2.92Å; E583-K587 VanDerWaalsContact OE1-CE 3.24Å; E583-K587 WeakPolarHBondContact OE1-CE 3.39Å; E583-K587 IonicContact OE1-NZ 3.72Å; E583-K587 PolarHBondContact OE1-NZ 3.14Å; Q584-K587 PolarHBondContact O-N 3.41Å; V585-K587 VanDerWaalsContact C-N 3.32Å; V585-K587 PolarHBondContact O-N 3.29Å; K587-N590 PolarHBondContact O-N 2.88Å; K587-G591 PolarHBondContact O-N 2.94Å; K587-D592 WeakPolarHBondContact CA-OD2 3.28Å; K587-D592 HydrophobicContact CB-CB 3.94Å; K587-D592 HydrophobicContact CG-CB 4.14Å; K587-D592 WeakPolarHBondContact CG-OD2 2.98Å; K587-D592 PolarHBondContact O-N 2.76Å; K587-Y593 HydrophobicContact CB-CD2 3.96Å; K587-Y593 HydrophobicContact CB-CE2 3.39Å; K587-Y593 HydrophobicContact CD-CE2 4.24Å; K587-Y593 HydrophobicContact CG-CE2 4.44Å
588	L	92.8	Very high	89.6	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-61.9	-43.8	173.9	-79	168.2	0	0	0	112.2	F567 C570 L580 Q584 V585 N590 G591 Y593 V597 I602	F567-L588 HydrophobicContact CD2-CD1 3.81Å; F567-L588 HydrophobicContact CD2-CD2 4.45Å; F567-L588 HydrophobicContact CE2-CD1 4.12Å; C570-L588 HydrophobicContact CB-CD1 3.98Å; C570-L588 HydrophobicContact CB-CD2 3.82Å; C570-L588 HydrophobicContact CB-CG 3.94Å; L580-L588 HydrophobicContact CD1-CD1 4.06Å; Q584-L588 PolarHBondContact O-N 3.37Å; V585-L588 PolarHBondContact O-N 3.35Å; L588-N590 VanDerWaalsContact C-N 3.33Å; L588-N590 PolarHBondContact O-N 3.17Å; L588-G591 PolarHBondContact O-N 3.38Å; L588-Y593 HydrophobicContact CD2-CD2 3.73Å; L588-Y593 HydrophobicContact CD2-CE2 4.42Å; L588-Y593 HydrophobicContact CD2-CG 4.46Å; L588-Y593 HydrophobicContact CG-CD2 3.79Å; L588-Y593 HydrophobicContact CG-CE2 4.06Å; L588-V597 HydrophobicContact CB-CB 4.39Å; L588-V597 HydrophobicContact CD2-CG2 4.01Å; L588-V597 PolarHBondContact O-N 2.96Å; L588-I602 HydrophobicContact CB-CD1 3.66Å; L588-I602 HydrophobicContact CB-CG1 4.18Å; L588-I602 HydrophobicContact CD1-CD1 4.3Å; L588-I602 HydrophobicContact CD1-CG1 4.2Å; L588-I602 HydrophobicContact CD1-CG2 4.21Å
589	M	89.9	Confident	90.1	Very high	54 Å²	54	49.6 Å²	49.6	27%	0.266	28%	0.278	S	S	.	.	H	α-helix	trans	-66.9	-34.6	178.7	-70.1	-175.1	67.5	0	0	112.6	V585 T586 G591 H596 W599 I602 T619	V585-M589 HydrophobicContact CG1-CG 4.44Å; V585-M589 HydrophobicContact CG1-SD 4.14Å; V585-M589 WeakPolarHBondContact O-CG 3.29Å; V585-M589 PolarHBondContact O-N 3Å; T586-M589 PolarHBondContact O-N 3.34Å; M589-G591 VanDerWaalsContact C-N 3.32Å; M589-H596 PolarHBondContact O-ND1 3.48Å; M589-W599 HydrophobicContact SD-CE3 4.41Å; M589-I602 HydrophobicContact CG-CD1 3.56Å; M589-T619 HydrophobicContact CE-CG2 3.92Å; M589-T619 HydrophobicContact SD-CG2 4.22Å
590	N	89.8	Confident	90.2	Very high	75 Å²	75	48.4 Å²	48.4	40%	0.401	27%	0.273	S	S	.	.	H	α-helix	trans	-82.9	-7	177.7	-68.7	-17.3	0	0	0	113.7	T586 K587 L588 D592 H596	T586-N590 WeakPolarHBondContact O-CB 3.45Å; T586-N590 VanDerWaalsContact O-CG 3.27Å; T586-N590 PolarHBondContact O-N 3.41Å; T586-N590 PolarHBondContact O-ND2 3.38Å; K587-N590 PolarHBondContact O-N 2.88Å; L588-N590 VanDerWaalsContact C-N 3.33Å; L588-N590 PolarHBondContact O-N 3.17Å; N590-D592 VanDerWaalsContact C-N 3.34Å; N590-H596 VanDerWaalsContact C-ND1 3.27Å; N590-H596 PolarHBondContact O-CE1 3.19Å; N590-H596 PolarHBondContact O-ND1 3.42Å
591	G	89.4	Confident	90.4	Very high	14 Å²	14	48.2 Å²	48.2	14%	0.144	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	17.5	179.9	0	0	0	0	0	114	K587 L588 M589 Y593 G594	K587-G591 PolarHBondContact O-N 2.94Å; L588-G591 PolarHBondContact O-N 3.38Å; M589-G591 VanDerWaalsContact C-N 3.32Å; G591-Y593 PolarHBondContact O-N 2.72Å; G591-G594 CarbonylContact O-C 3.59Å; G591-G594 WeakPolarHBondContact O-CA 3.33Å; G591-G594 PolarHBondContact O-N 3.48Å
592	D	92.8	Very high	90.6	Very high	104 Å²	104	45.8 Å²	45.8	56%	0.556	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-24.7	-177	-61.1	-24.2	0	0	0	112	K587 N590 G594	K587-D592 WeakPolarHBondContact CA-OD2 3.28Å; K587-D592 HydrophobicContact CB-CB 3.94Å; K587-D592 HydrophobicContact CG-CB 4.14Å; K587-D592 WeakPolarHBondContact CG-OD2 2.98Å; K587-D592 PolarHBondContact O-N 2.76Å; N590-D592 VanDerWaalsContact C-N 3.34Å; D592-G594 VanDerWaalsContact C-N 3.32Å
593	Y	90.9	Very high	90.7	Very high	16 Å²	16	42.9 Å²	42.9	6%	0.063	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	5	172.4	-62.9	-70.6	0	0	0	114.1	S566 R569 C570 E573 K587 L588 G591	S566-Y593 WeakPolarHBondContact O-CB 3.45Å; R569-Y593 HydrophobicContact CB-CD1 4.13Å; R569-Y593 WeakPolarHBondContact CD-O 3.47Å; R569-Y593 PolarHBondContact NH1-O 2.67Å; C570-Y593 HydrophobicContact CB-CD1 4.33Å; C570-Y593 HydrophobicContact CB-CD2 3.73Å; C570-Y593 HydrophobicContact CB-CE1 4.2Å; C570-Y593 HydrophobicContact CB-CE2 3.54Å; C570-Y593 HydrophobicContact CB-CG 4.11Å; C570-Y593 VanDerWaalsContact SG-CE2 3.54Å; E573-Y593 HydrophobicContact CG-CE1 4.49Å; E573-Y593 PolarHBondContact OE2-OH 2.69Å; K587-Y593 HydrophobicContact CB-CD2 3.96Å; K587-Y593 HydrophobicContact CB-CE2 3.39Å; K587-Y593 HydrophobicContact CD-CE2 4.24Å; K587-Y593 HydrophobicContact CG-CE2 4.44Å; L588-Y593 HydrophobicContact CD2-CD2 3.73Å; L588-Y593 HydrophobicContact CD2-CE2 4.42Å; L588-Y593 HydrophobicContact CD2-CG 4.46Å; L588-Y593 HydrophobicContact CG-CD2 3.79Å; L588-Y593 HydrophobicContact CG-CE2 4.06Å; G591-Y593 PolarHBondContact O-N 2.72Å
594	G	89.5	Confident	90.7	Very high	56 Å²	56	37.4 Å²	37.4	58%	0.577	21%	0.206	S	C	*	.	S	Bend	trans	130.4	-53.6	172.8	0	0	0	0	0	114.2	G591 D592	G591-G594 CarbonylContact O-C 3.59Å; G591-G594 WeakPolarHBondContact O-CA 3.33Å; G591-G594 PolarHBondContact O-N 3.48Å; D592-G594 VanDerWaalsContact C-N 3.32Å
595	H	89.6	Confident	90.7	Very high	60 Å²	60	36.6 Å²	36.6	28%	0.278	20%	0.202	S	C	.	.	S	Bend	trans	-128.7	143.2	177.8	-167.6	-75.5	0	0	0	110.1	H562 S566 V597	H562-H595 HydrophobicContact CB-CB 3.91Å; S566-H595 WeakPolarHBondContact OG-CB 3.32Å; S566-H595 PolarHBondContact OG-N 2.91Å; S566-H595 PolarHBondContact OG-O 2.94Å; H595-V597 PolarHBondContact O-N 3.11Å
596	H	89.5	Confident	90.6	Very high	117 Å²	117	36.6 Å²	36.6	54%	0.542	20%	0.202	S	C	.	.			trans	-58.7	133	174.7	-68.9	-85.4	0	0	0	111.3	M589 N590	M589-H596 PolarHBondContact O-ND1 3.48Å; N590-H596 VanDerWaalsContact C-ND1 3.27Å; N590-H596 PolarHBondContact O-CE1 3.19Å; N590-H596 PolarHBondContact O-ND1 3.42Å
597	V	90	Very high	90.4	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.018	19%	0.191	C	C	.	.			trans	-117.2	127.9	174.1	-171.8	0	0	0	0	109	M563 L588 H595 M601 I602 Q605	M563-V597 HydrophobicContact CB-CG2 4.32Å; M563-V597 HydrophobicContact CE-CG1 4.15Å; M563-V597 HydrophobicContact CG-CG2 4.43Å; L588-V597 HydrophobicContact CB-CB 4.39Å; L588-V597 HydrophobicContact CD2-CG2 4.01Å; L588-V597 PolarHBondContact O-N 2.96Å; H595-V597 PolarHBondContact O-N 3.11Å; V597-M601 HydrophobicContact CG1-CB 3.86Å; V597-M601 HydrophobicContact CG1-CG 4.03Å; V597-I602 HydrophobicContact CB-CD1 4.48Å; V597-I602 HydrophobicContact CB-CG1 4.01Å; V597-I602 HydrophobicContact CG1-CG1 3.59Å; V597-Q605 VanDerWaalsContact CG1-OE1 3.25Å
598	S	87.6	Confident	90	Very high	52 Å²	52	33.3 Å²	33.3	36%	0.364	18%	0.184	S	C	.	.			trans	-70.3	150.2	179	60.4	0	0	0	0	111.3	D600 M601 I602	S598-D600 VanDerWaalsContact C-N 3.26Å; S598-D600 PolarHBondContact O-N 3.4Å; S598-M601 PolarHBondContact O-N 3.36Å; S598-M601 WeakPolarHBondContact OG-CB 3.45Å; S598-M601 PolarHBondContact OG-N 3.11Å; S598-I602 WeakPolarHBondContact O-CG1 3.49Å; S598-I602 PolarHBondContact O-N 3.28Å
599	W	89	Confident	89.6	Confident	84 Å²	84	34.8 Å²	34.8	32%	0.318	20%	0.197	S	C	.	.	H	α-helix	trans	-47.6	-48.2	175.8	171.7	-100.7	0	0	0	113.2	V585 M589 M601 I602 C603 P614 L615 P616 I617	V585-W599 HydrophobicContact CG1-CE3 3.99Å; V585-W599 HydrophobicContact CG1-CZ3 3.76Å; M589-W599 HydrophobicContact SD-CE3 4.41Å; W599-M601 VanDerWaalsContact C-N 3.3Å; W599-M601 PolarHBondContact O-N 2.91Å; W599-I602 PolarHBondContact O-N 3.11Å; W599-C603 PolarHBondContact O-N 3.26Å; W599-C603 PolarHBondContact O-SG 3.33Å; W599-C603 VanDerWaalsContact O-SG 3.42Å; W599-P614 HydrophobicContact CH2-CB 3.95Å; W599-P614 HydrophobicContact CH2-CG 3.71Å; W599-P614 VanDerWaalsContact CH2-O 3.26Å; W599-P614 WeakPolarHBondContact CH2-O 3.36Å; W599-P614 HydrophobicContact CZ2-CG 4.45Å; W599-P614 HydrophobicContact CZ3-CB 4.16Å; W599-P614 HydrophobicContact CZ3-CG 3.85Å; W599-L615 VanDerWaalsContact CH2-O 3.3Å; W599-L615 WeakPolarHBondContact CH2-O 3.19Å; W599-P616 HydrophobicContact CZ2-CB 4.44Å; W599-P616 HydrophobicContact CZ2-CG 4.39Å; W599-I617 HydrophobicContact CZ3-CG1 4.41Å
600	D	88.9	Confident	89	Confident	7 Å²	7	33.9 Å²	33.9	4%	0.037	20%	0.201	C	C	.	.	H	α-helix	trans	-56.2	-43.4	177.2	163.9	66.9	0	0	0	112.7	Q476 R480 S598 C603 A604	Q476-D600 WeakPolarHBondContact CB-OD2 3.44Å; Q476-D600 HydrophobicContact CG-CB 3.96Å; Q476-D600 WeakPolarHBondContact CG-OD2 3.35Å; R480-D600 IonicContact CZ-OD1 2.62Å; R480-D600 IonicContact NE-OD1 3.74Å; R480-D600 PolarHBondContact NE-OD1 3.46Å; R480-D600 IonicContact NE-OD2 2.74Å; R480-D600 PolarHBondContact NH2-O 2.89Å; R480-D600 IonicContact NH2-OD1 3.48Å; R480-D600 PolarHBondContact NH2-OD1 3.37Å; S598-D600 VanDerWaalsContact C-N 3.26Å; S598-D600 PolarHBondContact O-N 3.4Å; D600-C603 PolarHBondContact O-N 2.99Å; D600-A604 PolarHBondContact O-N 3.25Å
601	M	92.5	Very high	88.8	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-72.6	-36.9	178.6	-168.6	65.6	57.2	0	0	111.8	H479 R483 F556 M563 V597 S598 W599 C603 A604 Q605	H479-M601 HydrophobicContact CB-CE 4.06Å; R483-M601 WeakPolarHBondContact CD-SD 3.01Å; F556-M601 HydrophobicContact CE1-CE 4.48Å; F556-M601 HydrophobicContact CE2-CE 4.46Å; F556-M601 HydrophobicContact CZ-CE 3.71Å; M563-M601 HydrophobicContact CE-CB 3.67Å; M563-M601 HydrophobicContact CE-CE 4.26Å; M563-M601 HydrophobicContact CE-CG 3.55Å; V597-M601 HydrophobicContact CG1-CB 3.86Å; V597-M601 HydrophobicContact CG1-CG 4.03Å; S598-M601 PolarHBondContact O-N 3.36Å; S598-M601 WeakPolarHBondContact OG-CB 3.45Å; S598-M601 PolarHBondContact OG-N 3.11Å; W599-M601 VanDerWaalsContact C-N 3.3Å; W599-M601 PolarHBondContact O-N 2.91Å; M601-C603 VanDerWaalsContact C-N 3.28Å; M601-C603 PolarHBondContact O-N 2.96Å; M601-A604 PolarHBondContact O-N 2.99Å; M601-A604 VanDerWaalsContact O-N 3.17Å; M601-A604 HydrophobicContact SD-CB 4.28Å; M601-Q605 HydrophobicContact CG-CG 3.96Å; M601-Q605 VanDerWaalsContact O-CB 3.31Å; M601-Q605 WeakPolarHBondContact O-CB 3.33Å; M601-Q605 VanDerWaalsContact O-CG 3.22Å; M601-Q605 WeakPolarHBondContact O-CG 3.28Å; M601-Q605 PolarHBondContact O-N 2.97Å; M601-Q605 PolarHBondContact O-OE1 3.12Å; M601-Q605 HydrophobicContact SD-CG 4.29Å
602	I	93.3	Very high	88.4	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-58.2	-45.2	174.1	-63	172.3	0	0	0	109.7	F567 L580 V585 L588 M589 V597 S598 W599 Q605 S606 P614	F567-I602 HydrophobicContact CE2-CG2 4.31Å; L580-I602 HydrophobicContact CD1-CG2 3.91Å; V585-I602 HydrophobicContact CG1-CD1 4.02Å; V585-I602 HydrophobicContact CG2-CG2 4.33Å; L588-I602 HydrophobicContact CB-CD1 3.66Å; L588-I602 HydrophobicContact CB-CG1 4.18Å; L588-I602 HydrophobicContact CD1-CD1 4.3Å; L588-I602 HydrophobicContact CD1-CG1 4.2Å; L588-I602 HydrophobicContact CD1-CG2 4.21Å; M589-I602 HydrophobicContact CG-CD1 3.56Å; V597-I602 HydrophobicContact CB-CD1 4.48Å; V597-I602 HydrophobicContact CB-CG1 4.01Å; V597-I602 HydrophobicContact CG1-CG1 3.59Å; S598-I602 WeakPolarHBondContact O-CG1 3.49Å; S598-I602 PolarHBondContact O-N 3.28Å; W599-I602 PolarHBondContact O-N 3.11Å; I602-Q605 PolarHBondContact O-N 3.06Å; I602-S606 VanDerWaalsContact O-CB 3.29Å; I602-S606 WeakPolarHBondContact O-CB 3.01Å; I602-S606 PolarHBondContact O-N 2.84Å; I602-S606 PolarHBondContact O-OG 2.79Å; I602-P614 HydrophobicContact CG2-CG 3.99Å
603	C	90.8	Very high	88.1	Confident	3 Å²	3	30 Å²	30	2%	0.02	18%	0.178	C	C	.	.	H	α-helix	trans	-60.8	-47.9	174.8	-65	0	0	0	0	111.5	W599 D600 M601 Q605 S606 C607	W599-C603 PolarHBondContact O-N 3.26Å; W599-C603 PolarHBondContact O-SG 3.33Å; W599-C603 VanDerWaalsContact O-SG 3.42Å; D600-C603 PolarHBondContact O-N 2.99Å; M601-C603 VanDerWaalsContact C-N 3.28Å; M601-C603 PolarHBondContact O-N 2.96Å; C603-Q605 PolarHBondContact O-N 3.13Å; C603-S606 PolarHBondContact O-N 2.82Å; C603-C607 PolarHBondContact O-N 2.76Å; C603-C607 PolarHBondContact O-SG 3Å; C603-C607 VanDerWaalsContact O-SG 3.38Å
604	A	90.8	Very high	87.9	Confident	7 Å²	7	29.5 Å²	29.5	6%	0.058	18%	0.177	C	C	.	.	H	α-helix	trans	-60.1	-44.9	179.4	0	0	0	0	0	112.5	R480 D600 M601 S606 W608	R480-A604 HydrophobicContact CG-CB 4.07Å; D600-A604 PolarHBondContact O-N 3.25Å; M601-A604 PolarHBondContact O-N 2.99Å; M601-A604 VanDerWaalsContact O-N 3.17Å; M601-A604 HydrophobicContact SD-CB 4.28Å; A604-S606 VanDerWaalsContact C-N 3.35Å; A604-W608 VanDerWaalsContact O-CB 3.26Å; A604-W608 WeakPolarHBondContact O-CB 3.38Å; A604-W608 PolarHBondContact O-N 3.32Å
605	Q	91.5	Very high	87.4	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-67.6	-35.7	178.2	-70.8	172.1	-46.9	0	0	111.7	M563 E564 F567 V597 M601 I602 C603 W608 A609	M563-Q605 PolarHBondContact O-NE2 3.25Å; E564-Q605 PolarHBondContact OE1-NE2 3.11Å; F567-Q605 HydrophobicContact CB-CG 4.49Å; F567-Q605 HydrophobicContact CD1-CB 3.74Å; F567-Q605 HydrophobicContact CD1-CG 4.42Å; F567-Q605 HydrophobicContact CD2-CB 3.57Å; F567-Q605 HydrophobicContact CD2-CG 4.21Å; F567-Q605 HydrophobicContact CE1-CB 3.66Å; F567-Q605 HydrophobicContact CE2-CB 3.5Å; F567-Q605 VanDerWaalsContact CE2-CB 3.5Å; F567-Q605 HydrophobicContact CG-CB 3.69Å; F567-Q605 HydrophobicContact CG-CG 4.13Å; F567-Q605 VanDerWaalsContact CZ-C 3.5Å; F567-Q605 HydrophobicContact CZ-CB 3.56Å; V597-Q605 VanDerWaalsContact CG1-OE1 3.25Å; M601-Q605 HydrophobicContact CG-CG 3.96Å; M601-Q605 VanDerWaalsContact O-CB 3.31Å; M601-Q605 WeakPolarHBondContact O-CB 3.33Å; M601-Q605 VanDerWaalsContact O-CG 3.22Å; M601-Q605 WeakPolarHBondContact O-CG 3.28Å; M601-Q605 PolarHBondContact O-N 2.97Å; M601-Q605 PolarHBondContact O-OE1 3.12Å; M601-Q605 HydrophobicContact SD-CG 4.29Å; I602-Q605 PolarHBondContact O-N 3.06Å; C603-Q605 PolarHBondContact O-N 3.13Å; Q605-W608 PolarHBondContact O-N 3.44Å; Q605-A609 WeakPolarHBondContact O-CB 3.19Å; Q605-A609 PolarHBondContact O-N 3.49Å
606	S	89.4	Confident	86.5	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63.4	-52.3	174.9	-58.9	0	0	0	0	110.9	I602 C603 A604 W608 A609 G610 L611	I602-S606 VanDerWaalsContact O-CB 3.29Å; I602-S606 WeakPolarHBondContact O-CB 3.01Å; I602-S606 PolarHBondContact O-N 2.84Å; I602-S606 PolarHBondContact O-OG 2.79Å; C603-S606 PolarHBondContact O-N 2.82Å; A604-S606 VanDerWaalsContact C-N 3.35Å; S606-W608 VanDerWaalsContact C-N 3.29Å; S606-W608 PolarHBondContact O-N 2.88Å; S606-A609 CarbonylContact O-C 3.49Å; S606-A609 PolarHBondContact O-N 3.07Å; S606-A609 VanDerWaalsContact O-N 3.09Å; S606-G610 PolarHBondContact O-N 3.14Å; S606-L611 CarbonylContact C-O 3.54Å; S606-L611 WeakPolarHBondContact O-CA 3.33Å; S606-L611 WeakPolarHBondContact O-CB 3.47Å; S606-L611 PolarHBondContact O-N 2.87Å
607	C	86.4	Confident	85.4	Confident	16 Å²	16	29.6 Å²	29.6	11%	0.108	18%	0.176	C	C	.	.	H	α-helix	trans	-58.8	-43	176.3	-61.6	0	0	0	0	111.4	Y160 C603 A609 G610	Y160-C607 HydrophobicContact CD2-CB 4.4Å; Y160-C607 HydrophobicContact CE1-CB 4.09Å; Y160-C607 HydrophobicContact CE2-CB 3.7Å; C603-C607 PolarHBondContact O-N 2.76Å; C603-C607 PolarHBondContact O-SG 3Å; C603-C607 VanDerWaalsContact O-SG 3.38Å; C607-A609 VanDerWaalsContact C-N 3.25Å; C607-A609 PolarHBondContact O-N 2.97Å; C607-G610 PolarHBondContact O-N 3.02Å
608	W	86.8	Confident	83.6	Confident	30 Å²	30	38.2 Å²	38.2	11%	0.114	22%	0.216	C	C	.	.	H	α-helix	trans	-61.9	-33.1	178.1	-164.6	-83.6	0	0	0	112.6	Y160 H440 T443 A444 R483 A484 L487 T488 A604 Q605 S606 G610	Y160-W608 PolarHBondContact OH-N 2.98Å; H440-W608 HydrophobicContact CB-CH2 4.24Å; H440-W608 HydrophobicContact CB-CZ2 3.67Å; H440-W608 AromaticContact CD2-CE2 3.84Å; H440-W608 AromaticContact CD2-NE1 3.77Å; H440-W608 AromaticContact CE1-NE1 3.84Å; H440-W608 AromaticContact CG-CE2 3.9Å; H440-W608 AromaticContact CG-CZ2 3.87Å; H440-W608 AromaticContact CG-NE1 3.82Å; H440-W608 AromaticContact ND1-NE1 3.86Å; H440-W608 AromaticContact NE2-CD1 3.95Å; H440-W608 AromaticContact NE2-NE1 3.79Å; H440-W608 PolarHBondContact NE2-O 3.24Å; H440-W608 VanDerWaalsContact NE2-O 3.14Å; H440-W608 WeakPolarHBondContact O-CH2 3.05Å; T443-W608 HydrophobicContact CG2-CE3 4.48Å; T443-W608 HydrophobicContact CG2-CZ3 4.05Å; A444-W608 HydrophobicContact CB-CH2 4.14Å; R483-W608 VanDerWaalsContact NH1-CG 3.34Å; A484-W608 HydrophobicContact CB-CH2 3.99Å; A484-W608 HydrophobicContact CB-CZ3 3.75Å; L487-W608 HydrophobicContact CB-CZ2 4.26Å; T488-W608 HydrophobicContact CG2-CH2 3.83Å; T488-W608 HydrophobicContact CG2-CZ2 3.82Å; A604-W608 VanDerWaalsContact O-CB 3.26Å; A604-W608 WeakPolarHBondContact O-CB 3.38Å; A604-W608 PolarHBondContact O-N 3.32Å; Q605-W608 PolarHBondContact O-N 3.44Å; S606-W608 VanDerWaalsContact C-N 3.29Å; S606-W608 PolarHBondContact O-N 2.88Å; W608-G610 VanDerWaalsContact C-N 3.25Å; W608-G610 PolarHBondContact O-N 2.68Å
609	A	84	Confident	81.3	Confident	31 Å²	31	39.8 Å²	39.8	26%	0.256	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	2.2	175.2	0	0	0	0	0	113.7	F567 L571 Q605 S606 C607 L611	F567-A609 HydrophobicContact CE1-CB 4.3Å; L571-A609 HydrophobicContact CD1-CB 4.18Å; Q605-A609 WeakPolarHBondContact O-CB 3.19Å; Q605-A609 PolarHBondContact O-N 3.49Å; S606-A609 CarbonylContact O-C 3.49Å; S606-A609 PolarHBondContact O-N 3.07Å; S606-A609 VanDerWaalsContact O-N 3.09Å; C607-A609 VanDerWaalsContact C-N 3.25Å; C607-A609 PolarHBondContact O-N 2.97Å; A609-L611 VanDerWaalsContact C-N 3.34Å; A609-L611 HydrophobicContact CB-CG 4.39Å
610	G	77.8	Confident	78.7	Confident	34 Å²	34	41.9 Å²	41.9	35%	0.351	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	17.7	-176	0	0	0	0	0	114.4	S606 C607 W608	S606-G610 PolarHBondContact O-N 3.14Å; C607-G610 PolarHBondContact O-N 3.02Å; W608-G610 VanDerWaalsContact C-N 3.25Å; W608-G610 PolarHBondContact O-N 2.68Å
611	L	83.8	Confident	75.9	Confident	19 Å²	19	43 Å²	43	10%	0.099	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-93.3	155.7	173.5	-57.2	177.1	0	0	0	110.7	L571 R577 L580 S606 A609	L571-L611 HydrophobicContact CD2-CD1 3.72Å; R577-L611 VanDerWaalsContact C-CD2 3.47Å; R577-L611 WeakPolarHBondContact O-CD2 3.39Å; L580-L611 HydrophobicContact CD2-CD1 4.03Å; L580-L611 HydrophobicContact CG-CD1 4.17Å; S606-L611 CarbonylContact C-O 3.54Å; S606-L611 WeakPolarHBondContact O-CA 3.33Å; S606-L611 WeakPolarHBondContact O-CB 3.47Å; S606-L611 PolarHBondContact O-N 2.87Å; A609-L611 VanDerWaalsContact C-N 3.34Å; A609-L611 HydrophobicContact CB-CG 4.39Å
612	L	82.6	Confident	72.9	Confident	54 Å²	54	47.3 Å²	47.3	28%	0.283	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-65.4	145.8	166.6	-70.6	176.5	0	0	0	110.6	L382 R578 Q579	L382-L612 HydrophobicContact CD1-CD1 3.63Å; L382-L612 HydrophobicContact CD1-CD2 4.02Å; L382-L612 HydrophobicContact CD1-CG 4.04Å; R578-L612 PolarHBondContact O-N 3.5Å; Q579-L612 HydrophobicContact CB-CB 4.36Å; Q579-L612 HydrophobicContact CG-CB 4.29Å
613	P	85.6	Confident	70	Confident	38 Å²	38	50.4 Å²	50.4	25%	0.247	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-52.6	134.9	167.8	-19.4	27.4	0	0	0	110	N156 Q579	N156-P613 HydrophobicContact CB-CG 3.87Å; Q579-P613 PolarHBondContact NE2-O 3.35Å
614	P	86	Confident	67.1	Low	6 Å²	6	54.5 Å²	54.5	4%	0.039	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-61.2	151.3	177.8	23.1	-31.3	0	0	0	111.6	V585 W599 I602	V585-P614 HydrophobicContact CG2-CB 3.68Å; V585-P614 HydrophobicContact CG2-CG 4.09Å; W599-P614 HydrophobicContact CH2-CB 3.95Å; W599-P614 HydrophobicContact CH2-CG 3.71Å; W599-P614 VanDerWaalsContact CH2-O 3.26Å; W599-P614 WeakPolarHBondContact CH2-O 3.36Å; W599-P614 HydrophobicContact CZ2-CG 4.45Å; W599-P614 HydrophobicContact CZ3-CB 4.16Å; W599-P614 HydrophobicContact CZ3-CG 3.85Å; I602-P614 HydrophobicContact CG2-CG 3.99Å
615	L	78.9	Confident	64.1	Low	82 Å²	82	61.8 Å²	61.8	43%	0.429	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-67.1	138.6	172.1	-70.8	173.6	0	0	0	110.1	W599 I617	W599-L615 VanDerWaalsContact CH2-O 3.3Å; W599-L615 WeakPolarHBondContact CH2-O 3.19Å; L615-I617 PolarHBondContact O-N 3.27Å
616	P	70.9	Confident	61	Low	110 Å²	110	68.9 Å²	68.9	71%	0.714	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-52.3	126.5	177.5	-24.6	32.1	0	0	0	111.2	W599	W599-P616 HydrophobicContact CZ2-CB 4.44Å; W599-P616 HydrophobicContact CZ2-CG 4.39Å
617	I	68	Low	57.9	Low	44 Å²	44	74.3 Å²	74.3	23%	0.226	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-88.3	133.9	173	-52.2	-176.1	0	0	0	107.1	A582 V585 W599 L615 T619	A582-I617 HydrophobicContact CB-CD1 4.09Å; A582-I617 HydrophobicContact CB-CG1 4.46Å; A582-I617 VanDerWaalsContact O-CD1 3.29Å; A582-I617 WeakPolarHBondContact O-CD1 3.31Å; V585-I617 HydrophobicContact CB-CD1 3.54Å; V585-I617 HydrophobicContact CG1-CD1 3.38Å; V585-I617 HydrophobicContact CG1-CG1 4.26Å; V585-I617 HydrophobicContact CG2-CD1 4.42Å; W599-I617 HydrophobicContact CZ3-CG1 4.41Å; L615-I617 PolarHBondContact O-N 3.27Å; I617-T619 HydrophobicContact CB-CG2 4.36Å; I617-T619 PolarHBondContact O-N 2.78Å
618	E	51.2	Low	54.9	Low	184 Å²	184	78.2 Å²	78.2	86%	0.86	44%	0.437	S	S	*	.			trans	-62.9	84.9	164.9	-74.9	-176	179.9	0	0	108.4	N620	E618-N620 VanDerWaalsContact C-N 3.34Å; E618-N620 PolarHBondContact O-N 3.42Å
619	T	39.8	Very low	52	Low	84 Å²	84	85.1 Å²	85.1	52%	0.515	48%	0.476	S	S	.	.			trans	-74.8	95.2	174.7	48.9	0	0	0	0	106.8	M589 I617 S621	M589-T619 HydrophobicContact CE-CG2 3.92Å; M589-T619 HydrophobicContact SD-CG2 4.22Å; I617-T619 HydrophobicContact CB-CG2 4.36Å; I617-T619 PolarHBondContact O-N 2.78Å; T619-S621 PolarHBondContact O-N 2.97Å
620	N	33.5	Very low	49.2	Very low	128 Å²	128	90.1 Å²	90.1	68%	0.684	50%	0.497	S	S	*	.			trans	-57.6	90.3	152.6	-76.1	-44.5	0	0	0	106.2	E618	E618-N620 VanDerWaalsContact C-N 3.34Å; E618-N620 PolarHBondContact O-N 3.42Å
621	S	29.6	Very low	46.9	Very low	32 Å²	32	97 Å²	97	22%	0.224	52%	0.518	C	S	.	.			trans	-53.3	128.9	-172.1	70.6	0	0	0	0	109.7	T619 S623 D624	T619-S621 PolarHBondContact O-N 2.97Å; S621-S623 VanDerWaalsContact CB-OG 3.29Å; S621-S623 WeakPolarHBondContact CB-OG 3.26Å; S621-S623 PolarHBondContact O-N 3.11Å; S621-S623 PolarHBondContact OG-OG 3.13Å; S621-D624 WeakPolarHBondContact O-CB 3.16Å; S621-D624 PolarHBondContact O-N 3.38Å; S621-D624 VanDerWaalsContact OG-CG 3.27Å; S621-D624 PolarHBondContact OG-OD2 2.61Å
622	P	29.9	Very low	44.1	Very low	90 Å²	90	102.9 Å²	102.9	58%	0.584	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-59.6	-19.2	175.6	-23.2	32.2	0	0	0	112.5	D624 K625 N626	P622-D624 PolarHBondContact O-N 3.49Å; P622-D624 VanDerWaalsContact O-N 3.17Å; P622-K625 PolarHBondContact O-N 3.36Å; P622-N626 PolarHBondContact O-N 3.36Å
623	S	33.7	Very low	41.8	Very low	66 Å²	66	103 Å²	103	46%	0.462	54%	0.544	S	S	.	.	G	3₁₀ helix	trans	-63.2	-10.7	169.6	48.8	0	0	0	0	114.8	S621 K627	S621-S623 VanDerWaalsContact CB-OG 3.29Å; S621-S623 WeakPolarHBondContact CB-OG 3.26Å; S621-S623 PolarHBondContact O-N 3.11Å; S621-S623 PolarHBondContact OG-OG 3.13Å; S623-K627 WeakPolarHBondContact O-CD 3.37Å
624	D	29.1	Very low	39.6	Very low	88 Å²	88	107.9 Å²	107.9	47%	0.471	56%	0.564	S	S	.	*	G	3₁₀ helix	trans	-96.7	-18.6	174.9	-70.4	-10.6	0	0	0	113.6	S621 P622 R632	S621-D624 WeakPolarHBondContact O-CB 3.16Å; S621-D624 PolarHBondContact O-N 3.38Å; S621-D624 VanDerWaalsContact OG-CG 3.27Å; S621-D624 PolarHBondContact OG-OD2 2.61Å; P622-D624 PolarHBondContact O-N 3.49Å; P622-D624 VanDerWaalsContact O-N 3.17Å; D624-R632 IonicContact OD1-CZ 3.63Å; D624-R632 IonicContact OD1-NH1 2.67Å; D624-R632 PolarHBondContact OD1-NH1 2.85Å; D624-R632 IonicContact OD1-NH2 3.73Å; D624-R632 PolarHBondContact OD1-NH2 3.16Å
625	K	27.4	Very low	37.8	Very low	161 Å²	161	114.4 Å²	114.4	70%	0.7	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	-25.6	-177	-69.3	-173.3	178	-178.3	0	114.8	P622	P622-K625 PolarHBondContact O-N 3.36Å
626	N	27.2	Very low	36.7	Very low	149 Å²	149	111.4 Å²	111.4	80%	0.797	58%	0.576	S	S	*	*	S	Bend	trans	-118.1	11.6	-174.8	-76.1	-7.9	0	0	0	115.2	P622	P622-N626 PolarHBondContact O-N 3.36Å
627	K	23	Very low	36.3	Very low	115 Å²	115	110.7 Å²	110.7	50%	0.5	57%	0.566	S	S	.	*	S	Bend	trans	-72	128.6	157.7	-77	178.6	-179.5	176.3	0	106.2	S623 L629	S623-K627 WeakPolarHBondContact O-CD 3.37Å; K627-L629 PolarHBondContact O-N 3.25Å
628	P	25	Very low	36.4	Very low	97 Å²	97	110.8 Å²	110.8	63%	0.63	57%	0.571	S	S	*	*			trans	-50.4	135.9	167.6	23.5	-31.3	0	0	0	106.8	L630	P628-L630 HydrophobicContact CB-CD1 4.1Å; P628-L630 HydrophobicContact CG-CD1 4.13Å; P628-L630 PolarHBondContact O-N 3.12Å
629	L	25.3	Very low	37.3	Very low	176 Å²	176	105.9 Å²	105.9	92%	0.921	55%	0.55	S	S	*	*	S	Bend	trans	-63.6	35.9	178.6	-78.6	158.5	0	0	0	112.5	K627 F631	K627-L629 PolarHBondContact O-N 3.25Å; L629-F631 PolarHBondContact O-N 3.44Å; L629-F631 VanDerWaalsContact O-N 3.1Å
630	L	25.2	Very low	38.9	Very low	135 Å²	135	104.7 Å²	104.7	71%	0.707	54%	0.543	S	S	*	.	S	Bend	trans	-74.2	92.8	166.2	-84.6	151.3	0	0	0	107.5	P628 R632	P628-L630 HydrophobicContact CB-CD1 4.1Å; P628-L630 HydrophobicContact CG-CD1 4.13Å; P628-L630 PolarHBondContact O-N 3.12Å; L630-R632 PolarHBondContact O-N 3.01Å
631	F	28.5	Very low	41.2	Very low	180 Å²	180	98.7 Å²	98.7	79%	0.789	51%	0.51	S	S	*	.			trans	51.5	51.2	160.1	-69.6	-85.6	0	0	0	116.8	L629 S633	L629-F631 PolarHBondContact O-N 3.44Å; L629-F631 VanDerWaalsContact O-N 3.1Å; F631-S633 PolarHBondContact O-N 2.87Å; F631-S633 VanDerWaalsContact O-N 3.08Å
632	R	25.7	Very low	43.8	Very low	142 Å²	142	97.2 Å²	97.2	54%	0.536	50%	0.5	S	S	.	.			trans	-75.4	86.3	145.5	-113.1	-177.4	178.5	160.9	-11.6	106.9	D624 L630 Q634	D624-R632 IonicContact OD1-CZ 3.63Å; D624-R632 IonicContact OD1-NH1 2.67Å; D624-R632 PolarHBondContact OD1-NH1 2.85Å; D624-R632 IonicContact OD1-NH2 3.73Å; D624-R632 PolarHBondContact OD1-NH2 3.16Å; L630-R632 PolarHBondContact O-N 3.01Å; R632-Q634 PolarHBondContact O-N 3.14Å
633	S	34.4	Very low	46.2	Very low	56 Å²	56	98.5 Å²	98.5	39%	0.392	49%	0.493	S	S	.	.			trans	-56.5	109.4	157.6	55.7	0	0	0	0	105.6	F631 K635	F631-S633 PolarHBondContact O-N 2.87Å; F631-S633 VanDerWaalsContact O-N 3.08Å; S633-K635 PolarHBondContact O-N 3.48Å
634	Q	40	Very low	48.6	Very low	141 Å²	141	99.2 Å²	99.2	66%	0.659	49%	0.49	S	S	*	.			trans	-61.7	87.9	154	-83.1	-175.6	-12.4	0	0	103.9	R632 L636 H694	R632-Q634 PolarHBondContact O-N 3.14Å; Q634-L636 PolarHBondContact O-N 3.27Å; Q634-L636 VanDerWaalsContact O-N 3.1Å; Q634-H694 PolarHBondContact O-ND1 3.15Å; Q634-H694 VanDerWaalsContact O-ND1 3.16Å
635	K	47.1	Very low	51.4	Low	142 Å²	142	95 Å²	95	62%	0.617	47%	0.467	S	S	*	.			trans	-50.2	122.2	-178.7	-78.8	-174.4	171.9	-174.3	0	105.8	S633 N637	S633-K635 PolarHBondContact O-N 3.48Å; K635-N637 PolarHBondContact O-N 3.36Å
636	L	55.9	Low	54.2	Low	20 Å²	20	90.7 Å²	90.7	11%	0.105	45%	0.449	C	S	.	.			trans	-41.4	139.7	171.6	-105.2	81.4	0	0	0	108.4	Q634 S638 I641 L688 I690 Y697	Q634-L636 PolarHBondContact O-N 3.27Å; Q634-L636 VanDerWaalsContact O-N 3.1Å; L636-S638 VanDerWaalsContact C-N 3.31Å; L636-S638 PolarHBondContact O-N 2.93Å; L636-I641 HydrophobicContact CB-CD1 3.89Å; L636-I641 HydrophobicContact CD2-CD1 3.54Å; L636-I641 HydrophobicContact CD2-CG1 4.14Å; L636-I641 HydrophobicContact CG-CD1 4.35Å; L636-L688 HydrophobicContact CD2-CD2 3.75Å; L636-I690 HydrophobicContact CD1-CD1 3.4Å; L636-I690 HydrophobicContact CD1-CG1 3.79Å; L636-I690 HydrophobicContact CD1-CG2 4.18Å; L636-I690 HydrophobicContact CD2-CG1 4.49Å; L636-Y697 HydrophobicContact CD2-CD1 3.62Å; L636-Y697 HydrophobicContact CD2-CD2 4.34Å; L636-Y697 HydrophobicContact CD2-CE1 4.22Å; L636-Y697 HydrophobicContact CD2-CG 3.69Å; L636-Y697 HydrophobicContact CG-CD1 4.5Å
637	N	63.4	Low	57	Low	95 Å²	95	89.4 Å²	89.4	51%	0.508	44%	0.442	S	S	.	.			trans	-61.5	97	179.7	-171.7	-15.4	0	0	0	109	K635 N639 V640 I641	K635-N637 PolarHBondContact O-N 3.36Å; N637-N639 PolarHBondContact O-N 3.19Å; N637-N639 WeakPolarHBondContact OD1-CB 3.38Å; N637-N639 PolarHBondContact OD1-N 2.82Å; N637-V640 HydrophobicContact CB-CG2 3.92Å; N637-V640 PolarHBondContact O-N 2.95Å; N637-I641 PolarHBondContact O-N 2.8Å
638	S	69.2	Low	60	Low	46 Å²	46	86.3 Å²	86.3	32%	0.322	43%	0.431	S	S	.	.	H	α-helix	trans	-57	-28.8	-172.5	50.7	0	0	0	0	111.5	L636 V640 I641 S642	L636-S638 VanDerWaalsContact C-N 3.31Å; L636-S638 PolarHBondContact O-N 2.93Å; S638-V640 VanDerWaalsContact C-N 3.33Å; S638-V640 PolarHBondContact O-N 2.99Å; S638-I641 PolarHBondContact O-N 3.46Å; S638-S642 WeakPolarHBondContact O-CB 3.32Å; S638-S642 PolarHBondContact O-N 3Å
639	N	69.5	Low	63	Low	80 Å²	80	86 Å²	86	43%	0.428	43%	0.43	S	S	.	.	H	α-helix	trans	-65.9	-34.8	177.8	-66.2	-14.3	0	0	0	112.5	N637 R643	N637-N639 PolarHBondContact O-N 3.19Å; N637-N639 WeakPolarHBondContact OD1-CB 3.38Å; N637-N639 PolarHBondContact OD1-N 2.82Å; N639-R643 WeakPolarHBondContact O-CG 3.21Å; N639-R643 PolarHBondContact O-N 3.32Å
640	V	74.8	Confident	66	Low	59 Å²	59	78.2 Å²	78.2	36%	0.358	39%	0.39	S	S	.	.	H	α-helix	trans	-72	-46.9	179.5	-171.2	0	0	0	0	109.8	N637 S638 S642 R643 Q644 Y697	N637-V640 HydrophobicContact CB-CG2 3.92Å; N637-V640 PolarHBondContact O-N 2.95Å; S638-V640 VanDerWaalsContact C-N 3.33Å; S638-V640 PolarHBondContact O-N 2.99Å; V640-S642 VanDerWaalsContact C-N 3.34Å; V640-S642 PolarHBondContact O-N 3.19Å; V640-R643 PolarHBondContact O-N 3.19Å; V640-Q644 PolarHBondContact O-N 3.45Å; V640-Y697 HydrophobicContact CG1-CE1 4.39Å; V640-Y697 WeakPolarHBondContact CG1-OH 3.11Å
641	I	80.6	Confident	69.2	Low	2 Å²	2	75.4 Å²	75.4	1%	0.01	38%	0.38	C	S	.	.	H	α-helix	trans	-60.7	-47.6	176.4	-56.9	178.1	0	0	0	110.1	L636 N637 S638 R643 Q644 L645 L688 Y697 I784	L636-I641 HydrophobicContact CB-CD1 3.89Å; L636-I641 HydrophobicContact CD2-CD1 3.54Å; L636-I641 HydrophobicContact CD2-CG1 4.14Å; L636-I641 HydrophobicContact CG-CD1 4.35Å; N637-I641 PolarHBondContact O-N 2.8Å; S638-I641 PolarHBondContact O-N 3.46Å; I641-R643 PolarHBondContact O-N 3.03Å; I641-Q644 PolarHBondContact O-N 3Å; I641-Q644 VanDerWaalsContact O-N 3.12Å; I641-L645 HydrophobicContact CG2-CD1 3.63Å; I641-L645 HydrophobicContact CG2-CG 4.05Å; I641-L645 WeakPolarHBondContact O-CG 3.45Å; I641-L645 PolarHBondContact O-N 3.32Å; I641-L688 HydrophobicContact CD1-CD1 4.34Å; I641-L688 HydrophobicContact CD1-CD2 4.04Å; I641-L688 HydrophobicContact CG2-CD1 3.87Å; I641-Y697 HydrophobicContact CG1-CE1 4.32Å; I641-Y697 HydrophobicContact CG1-CE2 4.02Å; I641-Y697 PolarHBondContact N-OH 2.67Å; I641-I784 HydrophobicContact CD1-CD1 4.08Å; I641-I784 HydrophobicContact CG2-CD1 4.37Å
642	S	84.5	Confident	72.3	Confident	1 Å²	1	70.7 Å²	70.7	1%	0.007	36%	0.359	C	S	.	.	H	α-helix	trans	-51.9	-49.9	177.3	167.9	0	0	0	0	111.8	S638 V640 L645 H646 P771 P773	S638-S642 WeakPolarHBondContact O-CB 3.32Å; S638-S642 PolarHBondContact O-N 3Å; V640-S642 VanDerWaalsContact C-N 3.34Å; V640-S642 PolarHBondContact O-N 3.19Å; S642-L645 PolarHBondContact O-N 3.43Å; S642-H646 VanDerWaalsContact O-CB 3.3Å; S642-H646 WeakPolarHBondContact O-CB 3.5Å; S642-H646 PolarHBondContact O-N 2.97Å; S642-P771 WeakPolarHBondContact CB-O 3.47Å; S642-P771 PolarHBondContact OG-O 3.03Å; S642-P773 VanDerWaalsContact OG-CB 3.31Å; S642-P773 WeakPolarHBondContact OG-CB 3.38Å; S642-P773 WeakPolarHBondContact OG-CD 3.24Å; S642-P773 WeakPolarHBondContact OG-CG 3.37Å
643	R	81.5	Confident	75.6	Confident	117 Å²	117	64.6 Å²	64.6	44%	0.442	34%	0.338	S	S	.	.	H	α-helix	trans	-63.5	-41.8	175.7	-73.7	176.7	-165.2	151.9	4.4	112.6	D306 N639 V640 I641 N647 P773	D306-R643 IonicContact OD1-NH2 3.18Å; N639-R643 WeakPolarHBondContact O-CG 3.21Å; N639-R643 PolarHBondContact O-N 3.32Å; V640-R643 PolarHBondContact O-N 3.19Å; I641-R643 PolarHBondContact O-N 3.03Å; R643-N647 VanDerWaalsContact O-CB 3.3Å; R643-N647 WeakPolarHBondContact O-CB 3.21Å; R643-N647 PolarHBondContact O-N 2.97Å; R643-N647 PolarHBondContact O-ND2 3.02Å; R643-N647 PolarHBondContact O-OD1 3.27Å; R643-P773 HydrophobicContact CG-CB 4.16Å; R643-P773 HydrophobicContact CG-CG 4.33Å
644	Q	83.8	Confident	78.5	Confident	82 Å²	82	65.3 Å²	65.3	38%	0.383	34%	0.337	S	S	.	.	H	α-helix	trans	-64.1	-47.4	177.4	-89.6	-171.7	-15.9	0	0	112.3	V640 I641 H646 N647 L648 Y697 L699	V640-Q644 PolarHBondContact O-N 3.45Å; I641-Q644 PolarHBondContact O-N 3Å; I641-Q644 VanDerWaalsContact O-N 3.12Å; Q644-H646 VanDerWaalsContact C-N 3.31Å; Q644-H646 PolarHBondContact O-N 2.98Å; Q644-N647 PolarHBondContact O-N 3.28Å; Q644-L648 WeakPolarHBondContact O-CB 3.33Å; Q644-L648 VanDerWaalsContact O-CG 3.31Å; Q644-L648 WeakPolarHBondContact O-CG 3.36Å; Q644-L648 PolarHBondContact O-N 2.74Å; Q644-Y697 VanDerWaalsContact OE1-CE2 3.24Å; Q644-Y697 PolarHBondContact OE1-OH 2.84Å; Q644-L699 HydrophobicContact CB-CD2 4.03Å
645	L	88	Confident	81	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-60.6	-42.8	177.9	-70.6	170.9	0	0	0	111.4	I641 S642 L648 C649 V650 L699 I733 W782	I641-L645 HydrophobicContact CG2-CD1 3.63Å; I641-L645 HydrophobicContact CG2-CG 4.05Å; I641-L645 WeakPolarHBondContact O-CG 3.45Å; I641-L645 PolarHBondContact O-N 3.32Å; S642-L645 PolarHBondContact O-N 3.43Å; L645-L648 CarbonylContact O-C 3.55Å; L645-L648 PolarHBondContact O-N 3.32Å; L645-C649 PolarHBondContact O-N 3.24Å; L645-V650 HydrophobicContact CB-CB 4.41Å; L645-V650 HydrophobicContact CD2-CB 4.06Å; L645-V650 HydrophobicContact CD2-CG1 4.17Å; L645-V650 HydrophobicContact CD2-CG2 3.86Å; L645-V650 PolarHBondContact O-N 3.38Å; L645-L699 HydrophobicContact CD2-CD1 4.03Å; L645-L699 HydrophobicContact CD2-CD2 3.77Å; L645-L699 HydrophobicContact CG-CD2 4.18Å; L645-I733 HydrophobicContact CD1-CD1 3.88Å; L645-I733 HydrophobicContact CD2-CD1 3.77Å; L645-I733 HydrophobicContact CG-CD1 4.47Å; L645-W782 HydrophobicContact CB-CD2 3.96Å; L645-W782 HydrophobicContact CB-CE3 4.13Å; L645-W782 HydrophobicContact CB-CH2 3.84Å; L645-W782 HydrophobicContact CB-CZ2 3.66Å; L645-W782 HydrophobicContact CB-CZ3 4.07Å; L645-W782 HydrophobicContact CD1-CB 4.02Å; L645-W782 HydrophobicContact CD1-CD2 3.59Å; L645-W782 HydrophobicContact CD1-CE3 3.8Å; L645-W782 HydrophobicContact CD1-CG 3.69Å; L645-W782 HydrophobicContact CD1-CZ3 4.49Å; L645-W782 HydrophobicContact CG-CD2 4.36Å
646	H	86.4	Confident	83.2	Confident	69 Å²	69	56.2 Å²	56.2	32%	0.319	30%	0.304	S	S	.	.	H	α-helix	trans	-61.4	-47.9	174.9	-178.1	-80.6	0	0	0	111.9	S642 Q644 L648 C649 D772 P773 T774 W782	S642-H646 VanDerWaalsContact O-CB 3.3Å; S642-H646 WeakPolarHBondContact O-CB 3.5Å; S642-H646 PolarHBondContact O-N 2.97Å; Q644-H646 VanDerWaalsContact C-N 3.31Å; Q644-H646 PolarHBondContact O-N 2.98Å; H646-L648 VanDerWaalsContact C-N 3.29Å; H646-L648 PolarHBondContact O-N 3.29Å; H646-C649 WeakPolarHBondContact O-CA 3.43Å; H646-C649 PolarHBondContact O-N 3.13Å; H646-D772 IonicContact CD2-OD1 2.93Å; H646-P773 HydrophobicContact CB-CG 3.75Å; H646-T774 VanDerWaalsContact NE2-CG2 3.35Å; H646-T774 WeakPolarHBondContact NE2-CG2 3.09Å; H646-W782 HydrophobicContact CB-CH2 4.1Å
647	N	84.4	Confident	85	Confident	122 Å²	122	58.3 Å²	58.3	65%	0.652	31%	0.312	S	S	*	.	H	α-helix	trans	-67.1	-30.1	-179	-70	-9.6	0	0	0	113	R643 Q644 C649	R643-N647 VanDerWaalsContact O-CB 3.3Å; R643-N647 WeakPolarHBondContact O-CB 3.21Å; R643-N647 PolarHBondContact O-N 2.97Å; R643-N647 PolarHBondContact O-ND2 3.02Å; R643-N647 PolarHBondContact O-OD1 3.27Å; Q644-N647 PolarHBondContact O-N 3.28Å; N647-C649 PolarHBondContact O-N 3.04Å
648	L	86.4	Confident	86.5	Confident	50 Å²	50	54.7 Å²	54.7	26%	0.262	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	8.5	172.6	-67.3	171.2	0	0	0	112.6	Q644 L645 H646 V650 L699 T701 Q703	Q644-L648 WeakPolarHBondContact O-CB 3.33Å; Q644-L648 VanDerWaalsContact O-CG 3.31Å; Q644-L648 WeakPolarHBondContact O-CG 3.36Å; Q644-L648 PolarHBondContact O-N 2.74Å; L645-L648 CarbonylContact O-C 3.55Å; L645-L648 PolarHBondContact O-N 3.32Å; H646-L648 VanDerWaalsContact C-N 3.29Å; H646-L648 PolarHBondContact O-N 3.29Å; L648-V650 HydrophobicContact CB-CG2 3.96Å; L648-V650 PolarHBondContact O-N 2.98Å; L648-L699 HydrophobicContact CD1-CD2 3.81Å; L648-T701 HydrophobicContact CD1-CG2 3.96Å; L648-Q703 PolarHBondContact O-OE1 3.21Å
649	C	87.9	Confident	87.6	Confident	92 Å²	92	55.8 Å²	55.8	62%	0.622	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	39.3	-179.9	-59.2	0	0	0	0	113.4	L645 H646 N647	L645-C649 PolarHBondContact O-N 3.24Å; H646-C649 WeakPolarHBondContact O-CA 3.43Å; H646-C649 PolarHBondContact O-N 3.13Å; N647-C649 PolarHBondContact O-N 3.04Å
650	V	89.1	Confident	88.7	Confident	11 Å²	11	55.1 Å²	55.1	7%	0.067	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-71.4	127.7	178.4	-178.3	0	0	0	0	108.7	L645 L648 L685 T701 W782	L645-V650 HydrophobicContact CB-CB 4.41Å; L645-V650 HydrophobicContact CD2-CB 4.06Å; L645-V650 HydrophobicContact CD2-CG1 4.17Å; L645-V650 HydrophobicContact CD2-CG2 3.86Å; L645-V650 PolarHBondContact O-N 3.38Å; L648-V650 HydrophobicContact CB-CG2 3.96Å; L648-V650 PolarHBondContact O-N 2.98Å; V650-L685 HydrophobicContact CG1-CB 3.89Å; V650-L685 HydrophobicContact CG1-CD1 4.21Å; V650-T701 HydrophobicContact CG2-CG2 3.86Å; V650-W782 WeakPolarHBondContact O-CZ2 3.44Å; V650-W782 PolarHBondContact O-NE1 2.96Å; V650-W782 VanDerWaalsContact O-NE1 3.12Å
651	P	91.8	Very high	89.5	Confident	76 Å²	76	53.1 Å²	53.1	49%	0.494	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-56.8	146.4	177.5	-21.9	31	0	0	0	112.1	L685 W782	P651-L685 HydrophobicContact CB-CD1 4.17Å; P651-L685 HydrophobicContact CG-CD2 4.21Å; P651-L685 VanDerWaalsContact O-CD1 3.3Å; P651-L685 WeakPolarHBondContact O-CD1 3.47Å; P651-W782 PolarHBondContact O-NE1 3.49Å
652	F	93.3	Very high	89.9	Confident	81 Å²	81	59.8 Å²	59.8	36%	0.355	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-65.9	150.5	173	-59	-44.1	0	0	0	111.2	D772 N780 G781 W782	F652-D772 HydrophobicContact CE1-CB 3.8Å; F652-D772 HydrophobicContact CZ-CB 3.84Å; F652-D772 WeakPolarHBondContact CZ-OD2 3.33Å; F652-N780 HydrophobicContact CD2-CB 3.96Å; F652-N780 HydrophobicContact CE2-CB 3.94Å; F652-N780 HydrophobicContact CG-CB 4.4Å; F652-N780 HydrophobicContact CZ-CB 4.36Å; F652-G781 WeakPolarHBondContact CA-O 3.4Å; F652-G781 WeakPolarHBondContact CB-O 3.2Å; F652-W782 HydrophobicContact CD1-CD2 4.21Å; F652-W782 AromaticContact CD1-CE2 3.7Å; F652-W782 HydrophobicContact CD1-CH2 4.06Å; F652-W782 AromaticContact CD1-CZ2 3.63Å; F652-W782 HydrophobicContact CD1-CZ2 3.63Å; F652-W782 HydrophobicContact CD1-CZ3 4.49Å; F652-W782 AromaticContact CE1-CH2 3.57Å; F652-W782 HydrophobicContact CE1-CH2 3.57Å; F652-W782 AromaticContact CE1-CZ2 3.49Å; F652-W782 HydrophobicContact CE1-CZ2 3.49Å; F652-W782 VanDerWaalsContact CE1-CZ2 3.49Å; F652-W782 HydrophobicContact CE1-CZ3 4.18Å
653	T	95.1	Very high	90	Very high	15 Å²	15	63.5 Å²	63.5	9%	0.092	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-78	127.8	176	-59	0	0	0	0	110	D655 F734 E735 T737 G781 I783	T653-D655 PolarHBondContact O-N 2.72Å; T653-F734 WeakPolarHBondContact CB-O 3.46Å; T653-F734 WeakPolarHBondContact CG2-O 3.09Å; T653-F734 PolarHBondContact OG1-O 3.36Å; T653-E735 CarbonylContact C-O 3.58Å; T653-E735 WeakPolarHBondContact CA-O 3.49Å; T653-T737 HydrophobicContact CG2-CG2 3.77Å; T653-G781 PolarHBondContact N-O 3.33Å; T653-I783 HydrophobicContact CG2-CB 4Å; T653-I783 HydrophobicContact CG2-CG1 3.84Å; T653-I783 PolarHBondContact OG1-N 2.81Å; T653-I783 VanDerWaalsContact OG1-N 3.17Å
654	D	95.1	Very high	89.9	Confident	70 Å²	70	63.1 Å²	63.1	37%	0.374	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-81	103.3	166.5	-179.6	6.6	0	0	0	110	S656 F657 E735 K736 T737	D654-S656 WeakPolarHBondContact OD1-CB 3.35Å; D654-S656 PolarHBondContact OD1-N 2.93Å; D654-S656 PolarHBondContact OD1-OG 3.36Å; D654-S656 PolarHBondContact OD2-OG 3.35Å; D654-F657 WeakPolarHBondContact OD2-CE2 3.38Å; D654-E735 PolarHBondContact N-O 3.38Å; D654-K736 CarbonylContact O-C 3.5Å; D654-K736 VanDerWaalsContact O-CA 3.24Å; D654-K736 WeakPolarHBondContact O-CA 3.23Å; D654-T737 PolarHBondContact O-N 2.84Å
655	D	93.5	Very high	89.1	Confident	38 Å²	38	65.2 Å²	65.2	20%	0.203	34%	0.34	C	S	.	.			trans	-97.2	9.7	178.2	79.9	-10.2	0	0	0	113.4	T653 F657 K658 T737 I783	T653-D655 PolarHBondContact O-N 2.72Å; D655-F657 PolarHBondContact O-N 3.1Å; D655-K658 HydrophobicContact CB-CD 4.35Å; D655-K658 VanDerWaalsContact CG-NZ 3.27Å; D655-K658 WeakPolarHBondContact O-CB 3.02Å; D655-K658 WeakPolarHBondContact O-CD 3.44Å; D655-K658 WeakPolarHBondContact O-CG 3.4Å; D655-K658 PolarHBondContact O-N 3.47Å; D655-K658 VanDerWaalsContact O-N 3.16Å; D655-K658 IonicContact OD1-NZ 3.56Å; D655-K658 PolarHBondContact OD1-NZ 3.49Å; D655-K658 IonicContact OD2-NZ 3.67Å; D655-K658 PolarHBondContact OD2-NZ 3.27Å; D655-T737 HydrophobicContact CB-CG2 3.96Å; D655-I783 HydrophobicContact CB-CG1 4.18Å
656	S	92.2	Very high	87.5	Confident	55 Å²	55	73 Å²	73	39%	0.385	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-62.2	-27.3	-178.7	65.5	0	0	0	0	113.1	D654 K658 Y659	D654-S656 WeakPolarHBondContact OD1-CB 3.35Å; D654-S656 PolarHBondContact OD1-N 2.93Å; D654-S656 PolarHBondContact OD1-OG 3.36Å; D654-S656 PolarHBondContact OD2-OG 3.35Å; S656-K658 PolarHBondContact O-N 3.24Å; S656-K658 VanDerWaalsContact O-N 3.12Å; S656-Y659 WeakPolarHBondContact O-CD2 3.48Å; S656-Y659 PolarHBondContact O-N 3.38Å; S656-Y659 VanDerWaalsContact O-N 3.13Å
657	F	94.6	Very high	85.8	Confident	63 Å²	63	74.7 Å²	74.7	28%	0.276	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-61	-19.4	177.5	-71.6	-101.1	0	0	0	113.3	D654 D655 Y659 N660 K736 N738	D654-F657 WeakPolarHBondContact OD2-CE2 3.38Å; D655-F657 PolarHBondContact O-N 3.1Å; F657-Y659 PolarHBondContact O-N 2.74Å; F657-Y659 VanDerWaalsContact O-N 3.16Å; F657-N660 WeakPolarHBondContact CD1-ND2 3.39Å; F657-N660 WeakPolarHBondContact O-CB 3.46Å; F657-N660 PolarHBondContact O-N 2.97Å; F657-K736 HydrophobicContact CD2-CB 4.17Å; F657-K736 HydrophobicContact CE2-CB 4.14Å; F657-K736 HydrophobicContact CE2-CD 3.94Å; F657-K736 HydrophobicContact CE2-CG 4.35Å; F657-K736 HydrophobicContact CZ-CD 4Å; F657-N738 HydrophobicContact CB-CB 4.3Å
658	K	94	Very high	84.1	Confident	20 Å²	20	74.1 Å²	74.1	9%	0.087	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-61.1	-22.6	175.2	76.4	-161.7	170.9	-174.6	0	113.2	D655 S656 N738 F740 R815	D655-K658 HydrophobicContact CB-CD 4.35Å; D655-K658 VanDerWaalsContact CG-NZ 3.27Å; D655-K658 WeakPolarHBondContact O-CB 3.02Å; D655-K658 WeakPolarHBondContact O-CD 3.44Å; D655-K658 WeakPolarHBondContact O-CG 3.4Å; D655-K658 PolarHBondContact O-N 3.47Å; D655-K658 VanDerWaalsContact O-N 3.16Å; D655-K658 IonicContact OD1-NZ 3.56Å; D655-K658 PolarHBondContact OD1-NZ 3.49Å; D655-K658 IonicContact OD2-NZ 3.67Å; D655-K658 PolarHBondContact OD2-NZ 3.27Å; S656-K658 PolarHBondContact O-N 3.24Å; S656-K658 VanDerWaalsContact O-N 3.12Å; K658-N738 WeakPolarHBondContact CA-O 3.25Å; K658-F740 HydrophobicContact CD-CD2 3.97Å; K658-R815 PolarHBondContact O-NH1 2.88Å
659	Y	93.1	Very high	82.2	Confident	69 Å²	69	80 Å²	80	27%	0.271	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-88.1	-6.1	177.1	-56.5	-55.5	0	0	0	113.9	S656 F657 C661 G955	S656-Y659 WeakPolarHBondContact O-CD2 3.48Å; S656-Y659 PolarHBondContact O-N 3.38Å; S656-Y659 VanDerWaalsContact O-N 3.13Å; F657-Y659 PolarHBondContact O-N 2.74Å; F657-Y659 VanDerWaalsContact O-N 3.16Å; Y659-C661 PolarHBondContact O-N 3.32Å; Y659-C661 VanDerWaalsContact O-N 3.08Å; Y659-G955 PolarHBondContact OH-O 3.36Å
660	N	92.9	Very high	80	Confident	66 Å²	66	82.9 Å²	82.9	35%	0.353	43%	0.43	S	S	.	.			trans	-73	103.6	175.4	-66.6	-8.1	0	0	0	109	F657 P678	F657-N660 WeakPolarHBondContact CD1-ND2 3.39Å; F657-N660 WeakPolarHBondContact O-CB 3.46Å; F657-N660 PolarHBondContact O-N 2.97Å; N660-P678 HydrophobicContact CB-CG 4.47Å; N660-P678 WeakPolarHBondContact O-CD 3.15Å
661	C	91.4	Very high	78	Confident	17 Å²	17	84.4 Å²	84.4	12%	0.115	44%	0.444	C	S	.	.			trans	-147.4	152.6	169.2	72.4	0	0	0	0	109.6	Y659 D676 F677 F960	Y659-C661 PolarHBondContact O-N 3.32Å; Y659-C661 VanDerWaalsContact O-N 3.08Å; C661-D676 WeakPolarHBondContact CA-O 3.47Å; C661-F677 HydrophobicContact CB-CD1 3.62Å; C661-F677 HydrophobicContact CB-CE1 3.63Å; C661-F960 WeakPolarHBondContact O-CZ 3.48Å; C661-F960 VanDerWaalsContact SG-CE2 3.53Å; C661-F960 WeakPolarHBondContact SG-CZ 3.5Å
662	Y	89.9	Confident	75.8	Confident	142 Å²	142	87.5 Å²	87.5	56%	0.557	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.6	134.2	179.8	-49.6	-80.5	0	0	0	109.6	Y675 D676 P678	Y662-Y675 WeakPolarHBondContact O-CA 3.36Å; Y662-D676 PolarHBondContact N-O 3.36Å; Y662-D676 PolarHBondContact O-N 2.91Å; Y662-P678 HydrophobicContact CD2-CG 4.15Å; Y662-P678 HydrophobicContact CE2-CG 3.59Å
663	R	86.3	Confident	74	Confident	79 Å²	79	89.2 Å²	89.2	30%	0.298	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	127.7	168.7	-166.1	168.4	178.7	-109.5	13.9	108.9	Y675 F960 E961 D964	R663-Y675 HydrophobicContact CB-CE1 4.49Å; R663-Y675 HydrophobicContact CG-CE2 4.2Å; R663-F960 HydrophobicContact CB-CD2 3.76Å; R663-F960 HydrophobicContact CB-CE2 4.25Å; R663-E961 VanDerWaalsContact CZ-CD 3.44Å; R663-E961 IonicContact CZ-OE1 3.57Å; R663-E961 IonicContact CZ-OE2 3.32Å; R663-E961 IonicContact NH1-OE1 2.83Å; R663-E961 PolarHBondContact NH1-OE1 3.18Å; R663-E961 IonicContact NH1-OE2 3.2Å; R663-E961 PolarHBondContact NH1-OE2 3.15Å; R663-E961 IonicContact NH2-OE1 3.97Å; R663-E961 IonicContact NH2-OE2 2.94Å; R663-E961 PolarHBondContact NH2-OE2 2.96Å; R663-D964 WeakPolarHBondContact CD-OD2 3.23Å; R663-D964 IonicContact CZ-OD1 3.45Å; R663-D964 IonicContact CZ-OD2 3.68Å; R663-D964 IonicContact NE-OD1 3.28Å; R663-D964 PolarHBondContact NE-OD1 3.47Å; R663-D964 IonicContact NE-OD2 2.87Å; R663-D964 PolarHBondContact NE-OD2 3.28Å; R663-D964 IonicContact NH2-OD1 2.77Å; R663-D964 PolarHBondContact NH2-OD1 2.86Å; R663-D964 IonicContact NH2-OD2 3.7Å
664	K	80	Confident	73.1	Confident	109 Å²	109	91.9 Å²	91.9	47%	0.474	48%	0.477	S	S	.	.			trans	-67.8	133.7	175.8	-67.8	-178.1	178.3	178.6	0	109.6	E666 Q674	K664-E666 VanDerWaalsContact C-N 3.32Å; K664-E666 PolarHBondContact O-N 3.39Å; K664-Q674 PolarHBondContact N-O 3.4Å
665	S	66	Low	72.8	Confident	125 Å²	125	88.9 Å²	88.9	87%	0.874	46%	0.46	S	S	*	.	S	Bend	trans	-73.5	-17.8	-175.3	32.7	0	0	0	0	114.5
666	E	54.6	Low	72.7	Confident	164 Å²	164	90 Å²	90	77%	0.766	47%	0.467	S	S	*	.	S	Bend	trans	-127	124	175	-72.5	-177.1	166.7	0	0	110	K664 D668	K664-E666 VanDerWaalsContact C-N 3.32Å; K664-E666 PolarHBondContact O-N 3.39Å; E666-D668 PolarHBondContact O-N 3.08Å
667	P	49.4	Very low	72.8	Confident	104 Å²	104	87.7 Å²	87.7	68%	0.675	45%	0.449	S	S	*	.			trans	-72.3	99.2	173	28.8	-28.9	0	0	0	107.9	L669	P667-L669 PolarHBondContact O-N 3.46Å; P667-L669 VanDerWaalsContact O-N 3.09Å
668	D	49.4	Very low	72.8	Confident	110 Å²	110	86.7 Å²	86.7	59%	0.588	45%	0.449	S	S	*	.			trans	-61.2	113.1	167.5	-171.8	0.9	0	0	0	107.4	E666 N670 A671	E666-D668 PolarHBondContact O-N 3.08Å; D668-N670 PolarHBondContact O-N 3.5Å; D668-A671 HydrophobicContact CB-CB 3.77Å; D668-A671 PolarHBondContact O-N 2.83Å
669	L	46.8	Very low	72.8	Confident	174 Å²	174	88.9 Å²	88.9	91%	0.911	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-18.6	-170.5	-80.6	157.2	0	0	0	113.4	P667	P667-L669 PolarHBondContact O-N 3.46Å; P667-L669 VanDerWaalsContact O-N 3.09Å
670	N	41.2	Very low	72.9	Confident	153 Å²	153	85.8 Å²	85.8	82%	0.818	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	-9.2	177	-70.4	-30.5	0	0	0	114.1	D668	D668-N670 PolarHBondContact O-N 3.5Å
671	A	46.6	Very low	73	Confident	42 Å²	42	89 Å²	89	35%	0.347	46%	0.463	S	S	.	.			trans	-92.6	110.7	177.3	0	0	0	0	0	109.8	D668 R673	D668-A671 HydrophobicContact CB-CB 3.77Å; D668-A671 PolarHBondContact O-N 2.83Å; A671-R673 PolarHBondContact O-N 3.37Å
672	T	47.3	Very low	73.2	Confident	141 Å²	141	88.3 Å²	88.3	87%	0.865	46%	0.459	S	S	*	.	S	Bend	trans	-60.8	-0.3	173.5	45.5	0	0	0	0	114.7
673	R	55	Low	73.4	Confident	118 Å²	118	85.9 Å²	85.9	45%	0.445	45%	0.451	S	S	.	.			trans	-125.8	99.1	-167.6	-62.4	-174.9	-179.9	-177.7	-3.2	112.2	A671 Y675 E813	A671-R673 PolarHBondContact O-N 3.37Å; R673-Y675 VanDerWaalsContact C-N 3.31Å; R673-E813 IonicContact NH2-OE2 3.08Å
674	Q	75.1	Confident	73.6	Confident	71 Å²	71	82.3 Å²	82.3	33%	0.332	44%	0.438	S	S	.	.	S	Bend	trans	-71.8	-19.7	173.3	-79	177.4	-22.5	0	0	113.8	K664 D964	K664-Q674 PolarHBondContact N-O 3.4Å; Q674-D964 VanDerWaalsContact OE1-CG 3.24Å; Q674-D964 PolarHBondContact OE1-OD1 3.34Å
675	Y	89.9	Confident	74.2	Confident	7 Å²	7	78.4 Å²	78.4	3%	0.027	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	141.8	-175.5	-73.9	-111.3	0	0	0	111.1	Y662 R663 R673 F677 F816 M819 L959 F960 D964	Y662-Y675 WeakPolarHBondContact O-CA 3.36Å; R663-Y675 HydrophobicContact CB-CE1 4.49Å; R663-Y675 HydrophobicContact CG-CE2 4.2Å; R673-Y675 VanDerWaalsContact C-N 3.31Å; Y675-F677 HydrophobicContact CG-CZ 4.46Å; Y675-F816 AromaticContact CD2-CD2 3.7Å; Y675-F816 HydrophobicContact CD2-CD2 3.7Å; Y675-F816 AromaticContact CD2-CE2 3.5Å; Y675-F816 HydrophobicContact CD2-CE2 3.5Å; Y675-F816 HydrophobicContact CE2-CD2 4.27Å; Y675-F816 AromaticContact CE2-CE2 3.72Å; Y675-F816 HydrophobicContact CE2-CE2 3.72Å; Y675-F816 HydrophobicContact CG-CD2 4.12Å; Y675-F816 HydrophobicContact CG-CE2 4.36Å; Y675-M819 HydrophobicContact CD1-CE 3.76Å; Y675-M819 HydrophobicContact CE1-CE 3.68Å; Y675-L959 HydrophobicContact CE2-CD2 4.18Å; Y675-F960 HydrophobicContact CD1-CD2 4.12Å; Y675-F960 HydrophobicContact CD1-CE2 4.07Å; Y675-F960 AromaticContact CE1-CD2 3.24Å; Y675-F960 HydrophobicContact CE1-CD2 3.24Å; Y675-F960 AromaticContact CE1-CE2 3.6Å; Y675-F960 HydrophobicContact CE1-CE2 3.6Å; Y675-F960 HydrophobicContact CE1-CG 4.28Å; Y675-F960 AromaticContact CZ-CD2 3.82Å; Y675-F960 PolarHBondContact OH-N 2.98Å; Y675-D964 HydrophobicContact CE2-CB 4.35Å; Y675-D964 VanDerWaalsContact CE2-OD2 3.24Å; Y675-D964 WeakPolarHBondContact CE2-OD2 3.44Å; Y675-D964 PolarHBondContact OH-OD2 3.48Å
676	D	91.4	Very high	75.4	Confident	62 Å²	62	72.5 Å²	72.5	33%	0.332	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	139.2	166.2	-164.9	29.9	0	0	0	111.5	C661 Y662 K812	C661-D676 WeakPolarHBondContact CA-O 3.47Å; Y662-D676 PolarHBondContact N-O 3.36Å; Y662-D676 PolarHBondContact O-N 2.91Å; D676-K812 IonicContact OD1-NZ 3.96Å; D676-K812 PolarHBondContact OD1-NZ 2.99Å
677	F	93.7	Very high	76.9	Confident	5 Å²	5	65 Å²	65	2%	0.022	35%	0.345	C	S	.	.			trans	-121.9	106.6	-179.2	-56.3	-74.6	0	0	0	107.4	C661 Y675 I810 K812 R815 F816 M819	C661-F677 HydrophobicContact CB-CD1 3.62Å; C661-F677 HydrophobicContact CB-CE1 3.63Å; Y675-F677 HydrophobicContact CG-CZ 4.46Å; F677-I810 HydrophobicContact CB-CD1 3.79Å; F677-I810 HydrophobicContact CB-CG1 4.21Å; F677-I810 HydrophobicContact CD1-CD1 4.23Å; F677-I810 HydrophobicContact CG-CD1 3.97Å; F677-K812 HydrophobicContact CB-CG 4.35Å; F677-K812 HydrophobicContact CD2-CB 3.8Å; F677-K812 HydrophobicContact CD2-CD 4.29Å; F677-K812 HydrophobicContact CD2-CG 3.9Å; F677-K812 HydrophobicContact CE2-CB 4.3Å; F677-K812 WeakPolarHBondContact CE2-O 3.4Å; F677-K812 VanDerWaalsContact O-CE 3.27Å; F677-K812 WeakPolarHBondContact O-CE 3.26Å; F677-K812 PolarHBondContact O-NZ 2.9Å; F677-R815 HydrophobicContact CD1-CG 3.85Å; F677-R815 HydrophobicContact CD2-CG 4.47Å; F677-R815 HydrophobicContact CE1-CG 3.45Å; F677-R815 VanDerWaalsContact CE1-CG 3.45Å; F677-R815 HydrophobicContact CE2-CB 4.38Å; F677-R815 HydrophobicContact CE2-CG 4.11Å; F677-R815 HydrophobicContact CG-CG 4.35Å; F677-R815 HydrophobicContact CZ-CB 4.29Å; F677-R815 HydrophobicContact CZ-CG 3.58Å; F677-F816 HydrophobicContact CE2-CB 4.31Å; F677-F816 HydrophobicContact CZ-CB 4.34Å; F677-M819 HydrophobicContact CE1-CE 4.26Å; F677-M819 HydrophobicContact CE1-SD 3.5Å; F677-M819 WeakPolarHBondContact CE1-SD 3.37Å; F677-M819 HydrophobicContact CZ-CE 4.46Å; F677-M819 HydrophobicContact CZ-SD 3.59Å; F677-M819 VanDerWaalsContact CZ-SD 3.59Å
678	P	94.2	Very high	78.6	Confident	42 Å²	42	60 Å²	60	27%	0.273	31%	0.313	S	S	.	.			trans	-62.3	143.3	-178.9	-21	32.1	0	0	0	112	N660 Y662 N738	N660-P678 HydrophobicContact CB-CG 4.47Å; N660-P678 WeakPolarHBondContact O-CD 3.15Å; Y662-P678 HydrophobicContact CD2-CG 4.15Å; Y662-P678 HydrophobicContact CE2-CG 3.59Å; P678-N738 PolarHBondContact O-ND2 2.86Å
679	D	94.6	Very high	79.9	Confident	66 Å²	66	55.1 Å²	55.1	35%	0.353	29%	0.288	S	S	.	.			trans	-64.5	148.8	167.8	-64.8	-1.5	0	0	0	109.6	V807 R809	D679-V807 HydrophobicContact CB-CG1 3.79Å; D679-R809 HydrophobicContact CB-CG 4.45Å; D679-R809 WeakPolarHBondContact OD1-CG 3.41Å; D679-R809 IonicContact OD1-NE 3.5Å; D679-R809 IonicContact OD2-CZ 2.73Å; D679-R809 IonicContact OD2-NE 3.02Å; D679-R809 PolarHBondContact OD2-NE 2.88Å; D679-R809 IonicContact OD2-NH2 3.45Å; D679-R809 PolarHBondContact OD2-NH2 2.86Å
680	C	95.1	Very high	81	Confident	4 Å²	4	47.7 Å²	47.7	3%	0.027	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	113.7	177.7	177.6	0	0	0	0	110.2	N738 L808	C680-N738 HydrophobicContact CB-CB 3.8Å; C680-L808 HydrophobicContact CB-CB 4.15Å; C680-L808 PolarHBondContact N-O 3.33Å; C680-L808 PolarHBondContact O-N 3.18Å
681	E	95.1	Very high	81.9	Confident	134 Å²	134	41.2 Å²	41.2	63%	0.626	22%	0.218	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	129.5	167.1	-90.1	-170.2	164.7	0	0	110.8	F806 V807	E681-F806 WeakPolarHBondContact CA-O 3.46Å; E681-V807 HydrophobicContact CG-CG2 3.98Å
682	T	95.4	Very high	82.3	Confident	3 Å²	3	43 Å²	43	2%	0.018	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	168.4	-169.8	-167.2	0	0	0	0	112	F734 K736 S805 F806 L808	T682-F734 HydrophobicContact CG2-CB 3.88Å; T682-F734 HydrophobicContact CG2-CD1 3.57Å; T682-F734 HydrophobicContact CG2-CE1 4.29Å; T682-F734 HydrophobicContact CG2-CG 3.79Å; T682-K736 WeakPolarHBondContact CB-O 3.46Å; T682-K736 PolarHBondContact OG1-N 2.89Å; T682-K736 PolarHBondContact OG1-O 3.32Å; T682-S805 CarbonylContact O-C 3.48Å; T682-S805 WeakPolarHBondContact O-CA 3.24Å; T682-F806 HydrophobicContact CG2-CB 4.33Å; T682-F806 PolarHBondContact N-O 3.29Å; T682-F806 PolarHBondContact O-N 2.81Å; T682-L808 HydrophobicContact CG2-CD1 3.62Å; T682-L808 HydrophobicContact CG2-CG 3.77Å
683	K	93.6	Very high	82.5	Confident	90 Å²	90	43.1 Å²	43.1	39%	0.391	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	149.9	175.3	-69.4	-178.4	178.3	-179.2	0	111.5	F734 E735	K683-F734 WeakPolarHBondContact O-CA 3.46Å; K683-F734 WeakPolarHBondContact O-CD1 3.32Å; K683-E735 PolarHBondContact O-N 2.98Å
684	L	91.9	Very high	82.4	Confident	5 Å²	5	40.2 Å²	40.2	3%	0.026	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	132.1	178.4	-169.3	72.5	0	0	0	110.4	F732 I733 F734 L800 F802 F806	L684-F732 HydrophobicContact CD1-CB 4.19Å; L684-F732 HydrophobicContact CD1-CD1 3.72Å; L684-F732 HydrophobicContact CD1-CG 4.45Å; L684-I733 WeakPolarHBondContact CD1-O 3.4Å; L684-F734 HydrophobicContact CB-CD1 4.33Å; L684-F734 HydrophobicContact CB-CE1 4.17Å; L684-F734 HydrophobicContact CD1-CD1 3.92Å; L684-F734 HydrophobicContact CD1-CE1 3.49Å; L684-F734 VanDerWaalsContact CD1-CE1 3.49Å; L684-F734 HydrophobicContact CD1-CZ 3.83Å; L684-F734 HydrophobicContact CG-CE1 4.47Å; L684-L800 HydrophobicContact CD2-CD2 3.28Å; L684-L800 HydrophobicContact CD2-CG 4.48Å; L684-F802 HydrophobicContact CB-CD1 4.19Å; L684-F802 HydrophobicContact CD2-CD1 3.95Å; L684-F802 HydrophobicContact CD2-CE1 3.79Å; L684-F802 HydrophobicContact CD2-CZ 4.23Å; L684-F802 HydrophobicContact CG-CD1 4.03Å; L684-F802 HydrophobicContact CG-CE1 4.03Å; L684-F802 WeakPolarHBondContact O-CD1 3.41Å; L684-F806 HydrophobicContact CB-CD2 4.35Å; L684-F806 HydrophobicContact CB-CE2 3.91Å; L684-F806 HydrophobicContact CB-CZ 4.49Å
685	L	92.3	Very high	81.4	Confident	27 Å²	27	42.2 Å²	42.2	14%	0.141	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	-37.3	174.5	-63.3	-176.6	0	0	0	112.2	V650 P651 I733 E735	V650-L685 HydrophobicContact CG1-CB 3.89Å; V650-L685 HydrophobicContact CG1-CD1 4.21Å; P651-L685 HydrophobicContact CB-CD1 4.17Å; P651-L685 HydrophobicContact CG-CD2 4.21Å; P651-L685 VanDerWaalsContact O-CD1 3.3Å; P651-L685 WeakPolarHBondContact O-CD1 3.47Å; L685-I733 HydrophobicContact CB-CG2 4.23Å; L685-I733 PolarHBondContact N-O 3.4Å; L685-E735 HydrophobicContact CD1-CB 4.49Å; L685-E735 HydrophobicContact CD2-CB 4.38Å; L685-E735 HydrophobicContact CG-CB 4.38Å
686	G	90	Very high	80.1	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	149.5	-174.9	0	0	0	0	0	113	I700 I733	G686-I700 CarbonylContact C-O 3.58Å; G686-I700 VanDerWaalsContact CA-O 3.28Å; G686-I700 WeakPolarHBondContact CA-O 3.47Å; G686-I733 PolarHBondContact N-O 3.14Å; G686-I733 PolarHBondContact O-N 2.99Å
687	L	87.7	Confident	79.2	Confident	6 Å²	6	45.6 Å²	45.6	3%	0.031	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	126.8	172.4	-169.9	72.5	0	0	0	109.1	I700 L730 G731 F732 L797 L800	L687-I700 HydrophobicContact CB-CB 4.39Å; L687-I700 PolarHBondContact N-O 3.1Å; L687-I700 PolarHBondContact O-N 2.95Å; L687-L730 HydrophobicContact CD1-CD2 3.65Å; L687-L730 HydrophobicContact CD2-CD2 3.96Å; L687-L730 HydrophobicContact CG-CD2 3.81Å; L687-G731 CarbonylContact C-O 3.59Å; L687-F732 HydrophobicContact CD1-CD1 3.51Å; L687-F732 HydrophobicContact CD1-CD2 4.18Å; L687-F732 HydrophobicContact CD1-CE1 3.38Å; L687-F732 HydrophobicContact CD1-CE2 4.06Å; L687-F732 HydrophobicContact CD1-CG 3.92Å; L687-F732 HydrophobicContact CD1-CZ 3.67Å; L687-L797 HydrophobicContact CD2-CD1 4.38Å; L687-L797 HydrophobicContact CD2-CD2 4.3Å; L687-L800 HydrophobicContact CD2-CD2 4.47Å
688	L	85.4	Confident	78.3	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	126.8	177.1	-117.7	128.1	0	0	0	108.8	L636 I641 Y697 T698 L699 G731 I733 I784 W786	L636-L688 HydrophobicContact CD2-CD2 3.75Å; I641-L688 HydrophobicContact CD1-CD1 4.34Å; I641-L688 HydrophobicContact CD1-CD2 4.04Å; I641-L688 HydrophobicContact CG2-CD1 3.87Å; L688-Y697 HydrophobicContact CD2-CD2 3.45Å; L688-Y697 VanDerWaalsContact CD2-CD2 3.45Å; L688-Y697 HydrophobicContact CD2-CE2 4.14Å; L688-Y697 HydrophobicContact CD2-CG 3.93Å; L688-Y697 HydrophobicContact CG-CD2 4.23Å; L688-T698 WeakPolarHBondContact CA-O 3.41Å; L688-L699 HydrophobicContact CD1-CD1 3.78Å; L688-L699 HydrophobicContact CG-CD1 4.16Å; L688-G731 PolarHBondContact N-O 3.07Å; L688-G731 PolarHBondContact O-N 3.25Å; L688-I733 HydrophobicContact CD1-CD1 4.11Å; L688-I784 HydrophobicContact CD1-CD1 4.22Å; L688-W786 HydrophobicContact CD2-CH2 4.33Å
689	A	74.8	Confident	77.7	Confident	8 Å²	8	47 Å²	47	7%	0.066	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	127.3	173.2	0	0	0	0	0	109.6	Y697 T698 L717 L730	A689-Y697 CarbonylContact O-C 3.58Å; A689-Y697 VanDerWaalsContact O-CA 3.23Å; A689-Y697 WeakPolarHBondContact O-CA 3.26Å; A689-Y697 WeakPolarHBondContact O-CB 3.39Å; A689-T698 PolarHBondContact N-O 2.95Å; A689-T698 PolarHBondContact O-N 3.26Å; A689-L717 HydrophobicContact CB-CD1 3.24Å; A689-L717 HydrophobicContact CB-CD2 3.6Å; A689-L717 HydrophobicContact CB-CG 4.02Å; A689-L730 HydrophobicContact CB-CD2 4.44Å
690	I	69.8	Low	77.1	Confident	18 Å²	18	44.4 Å²	44.4	9%	0.092	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	129.9	-178.3	-52.5	172.4	0	0	0	108.3	L636 W786	L636-I690 HydrophobicContact CD1-CD1 3.4Å; L636-I690 HydrophobicContact CD1-CG1 3.79Å; L636-I690 HydrophobicContact CD1-CG2 4.18Å; L636-I690 HydrophobicContact CD2-CG1 4.49Å; I690-W786 HydrophobicContact CD1-CE3 4.27Å; I690-W786 HydrophobicContact CD1-CH2 3.78Å; I690-W786 HydrophobicContact CD1-CZ3 3.49Å; I690-W786 VanDerWaalsContact CD1-CZ3 3.49Å; I690-W786 HydrophobicContact CG1-CH2 4.31Å; I690-W786 HydrophobicContact CG1-CZ3 4Å
691	G	61.3	Low	76.6	Confident	16 Å²	16	44.3 Å²	44.3	17%	0.165	23%	0.228	C	C	.	.			trans	-83.8	-168.1	173.7	0	0	0	0	0	113.1	K693 D696	G691-K693 PolarHBondContact O-N 3.02Å; G691-K693 VanDerWaalsContact O-N 3.14Å; G691-D696 PolarHBondContact N-O 3.14Å
692	N	54.2	Low	75.7	Confident	81 Å²	81	43.2 Å²	43.2	43%	0.433	22%	0.221	S	C	.	.	S	Bend	trans	-64.6	-19.5	-174.9	-71.9	-8.7	0	0	0	114.5	A726	N692-A726 WeakPolarHBondContact OD1-CB 3.35Å
693	K	52.5	Low	74.4	Confident	143 Å²	143	49.6 Å²	49.6	62%	0.622	25%	0.25	S	S	*	.	S	Bend	trans	-116.4	138.3	174	-68.8	-179.7	178.8	175.9	0	108.5	G691 T695 D696	G691-K693 PolarHBondContact O-N 3.02Å; G691-K693 VanDerWaalsContact O-N 3.14Å; K693-T695 PolarHBondContact O-N 3.1Å; K693-D696 PolarHBondContact O-N 2.96Å
694	H	53	Low	73.1	Confident	57 Å²	57	47.8 Å²	47.8	26%	0.264	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-13.9	178.9	-78.4	-81.4	0	0	0	114.9	Q634 N727	Q634-H694 PolarHBondContact O-ND1 3.15Å; Q634-H694 VanDerWaalsContact O-ND1 3.16Å; H694-N727 PolarHBondContact CE1-ND2 3.3Å
695	T	52.7	Low	71.2	Confident	113 Å²	113	49.3 Å²	49.3	69%	0.693	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-24.1	174.4	54.2	0	0	0	0	113.6	K693 Y697	K693-T695 PolarHBondContact O-N 3.1Å; T695-Y697 PolarHBondContact O-N 2.93Å
696	D	62.9	Low	69.3	Low	99 Å²	99	50.7 Å²	50.7	53%	0.529	27%	0.272	S	S	.	.			trans	-86.4	106.5	175.8	-83.5	-28.4	0	0	0	108.2	G691 K693	G691-D696 PolarHBondContact N-O 3.14Å; K693-D696 PolarHBondContact O-N 2.96Å
697	Y	72.9	Confident	67.3	Low	41 Å²	41	57.6 Å²	57.6	16%	0.161	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	153.9	169	68.6	-87	0	0	0	109.9	L636 V640 I641 Q644 L688 A689 T695 L699	L636-Y697 HydrophobicContact CD2-CD1 3.62Å; L636-Y697 HydrophobicContact CD2-CD2 4.34Å; L636-Y697 HydrophobicContact CD2-CE1 4.22Å; L636-Y697 HydrophobicContact CD2-CG 3.69Å; L636-Y697 HydrophobicContact CG-CD1 4.5Å; V640-Y697 HydrophobicContact CG1-CE1 4.39Å; V640-Y697 WeakPolarHBondContact CG1-OH 3.11Å; I641-Y697 HydrophobicContact CG1-CE1 4.32Å; I641-Y697 HydrophobicContact CG1-CE2 4.02Å; I641-Y697 PolarHBondContact N-OH 2.67Å; Q644-Y697 VanDerWaalsContact OE1-CE2 3.24Å; Q644-Y697 PolarHBondContact OE1-OH 2.84Å; L688-Y697 HydrophobicContact CD2-CD2 3.45Å; L688-Y697 VanDerWaalsContact CD2-CD2 3.45Å; L688-Y697 HydrophobicContact CD2-CE2 4.14Å; L688-Y697 HydrophobicContact CD2-CG 3.93Å; L688-Y697 HydrophobicContact CG-CD2 4.23Å; A689-Y697 CarbonylContact O-C 3.58Å; A689-Y697 VanDerWaalsContact O-CA 3.23Å; A689-Y697 WeakPolarHBondContact O-CA 3.26Å; A689-Y697 WeakPolarHBondContact O-CB 3.39Å; T695-Y697 PolarHBondContact O-N 2.93Å; Y697-L699 HydrophobicContact CE2-CB 4.43Å
698	T	75.8	Confident	65.5	Low	56 Å²	56	61.4 Å²	61.4	34%	0.344	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	126.4	173.5	-42.7	0	0	0	0	108.8	L688 A689 V713	L688-T698 WeakPolarHBondContact CA-O 3.41Å; A689-T698 PolarHBondContact N-O 2.95Å; A689-T698 PolarHBondContact O-N 3.26Å; T698-V713 HydrophobicContact CG2-CG1 3.58Å
699	L	81.6	Confident	63.9	Low	21 Å²	21	65.4 Å²	65.4	11%	0.11	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	119.8	174.1	173.9	65.7	0	0	0	108.4	Q644 L645 L648 L688 Y697 T701	Q644-L699 HydrophobicContact CB-CD2 4.03Å; L645-L699 HydrophobicContact CD2-CD1 4.03Å; L645-L699 HydrophobicContact CD2-CD2 3.77Å; L645-L699 HydrophobicContact CG-CD2 4.18Å; L648-L699 HydrophobicContact CD1-CD2 3.81Å; L688-L699 HydrophobicContact CD1-CD1 3.78Å; L688-L699 HydrophobicContact CG-CD1 4.16Å; Y697-L699 HydrophobicContact CE2-CB 4.43Å; L699-T701 HydrophobicContact CD1-CG2 4.14Å; L699-T701 HydrophobicContact CD2-CG2 4.26Å; L699-T701 HydrophobicContact CG-CG2 3.95Å
700	I	81	Confident	63	Low	11 Å²	11	66 Å²	66	6%	0.056	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	126.1	176.1	-51	175.6	0	0	0	107.6	G686 L687 V710 V713 I714 F802	G686-I700 CarbonylContact C-O 3.58Å; G686-I700 VanDerWaalsContact CA-O 3.28Å; G686-I700 WeakPolarHBondContact CA-O 3.47Å; L687-I700 HydrophobicContact CB-CB 4.39Å; L687-I700 PolarHBondContact N-O 3.1Å; L687-I700 PolarHBondContact O-N 2.95Å; I700-V710 HydrophobicContact CD1-CG1 4.38Å; I700-V710 HydrophobicContact CG2-CG1 4.3Å; I700-V710 HydrophobicContact CG2-CG2 3.85Å; I700-V713 HydrophobicContact CD1-CB 4.4Å; I700-V713 HydrophobicContact CD1-CG1 3.81Å; I700-V713 HydrophobicContact CG1-CG1 4.3Å; I700-I714 HydrophobicContact CD1-CG1 4.45Å; I700-F802 HydrophobicContact CG2-CE2 4.23Å; I700-F802 HydrophobicContact CG2-CZ 3.96Å
701	T	83.7	Confident	62.5	Low	2 Å²	2	67.7 Å²	67.7	1%	0.012	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	162.5	177.4	68.3	0	0	0	0	110	L648 V650 L699 Q703 S704 S705	L648-T701 HydrophobicContact CD1-CG2 3.96Å; V650-T701 HydrophobicContact CG2-CG2 3.86Å; L699-T701 HydrophobicContact CD1-CG2 4.14Å; L699-T701 HydrophobicContact CD2-CG2 4.26Å; L699-T701 HydrophobicContact CG-CG2 3.95Å; T701-Q703 PolarHBondContact O-N 3.21Å; T701-Q703 VanDerWaalsContact O-N 3.13Å; T701-S704 PolarHBondContact N-OG 3.08Å; T701-S704 PolarHBondContact O-N 3.17Å; T701-S704 PolarHBondContact O-OG 2.87Å; T701-S704 PolarHBondContact OG1-N 2.78Å; T701-S704 PolarHBondContact OG1-OG 3.39Å; T701-S705 PolarHBondContact O-N 3.26Å; T701-S705 PolarHBondContact O-OG 3.43Å
702	K	76.8	Confident	62.4	Low	111 Å²	111	69.3 Å²	69.3	48%	0.483	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-31.1	176.3	-168.2	177.5	-177.2	179.5	0	113.7	S705 F802 D803	K702-S705 PolarHBondContact O-OG 3.27Å; K702-F802 HydrophobicContact CB-CB 4.25Å; K702-F802 HydrophobicContact CB-CD1 4.29Å; K702-F802 HydrophobicContact CB-CG 4.24Å; K702-F802 HydrophobicContact CD-CB 4.37Å; K702-F802 HydrophobicContact CG-CB 4.26Å; K702-D803 WeakPolarHBondContact CE-OD2 3.23Å; K702-D803 IonicContact NZ-OD1 3.41Å; K702-D803 PolarHBondContact NZ-OD1 3.25Å; K702-D803 IonicContact NZ-OD2 3.98Å; K702-D803 PolarHBondContact NZ-OD2 3.12Å
703	Q	69.5	Low	62.7	Low	136 Å²	136	67.1 Å²	67.1	64%	0.636	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-21.5	-179.8	-64.8	-176.8	8.3	0	0	113.7	L648 T701	L648-Q703 PolarHBondContact O-OE1 3.21Å; T701-Q703 PolarHBondContact O-N 3.21Å; T701-Q703 VanDerWaalsContact O-N 3.13Å
704	S	64.4	Low	63.2	Low	53 Å²	53	60.4 Å²	60.4	37%	0.371	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-10.6	-178	45.1	0	0	0	0	113.3	T701 S706	T701-S704 PolarHBondContact N-OG 3.08Å; T701-S704 PolarHBondContact O-N 3.17Å; T701-S704 PolarHBondContact O-OG 2.87Å; T701-S704 PolarHBondContact OG1-N 2.78Å; T701-S704 PolarHBondContact OG1-OG 3.39Å; S704-S706 PolarHBondContact O-N 3.26Å
705	S	53.3	Low	63.6	Low	37 Å²	37	61 Å²	61	26%	0.259	34%	0.344	S	S	.	.			trans	-85.7	99.5	-175.9	49.2	0	0	0	0	112.9	T701 K702 V710	T701-S705 PolarHBondContact O-N 3.26Å; T701-S705 PolarHBondContact O-OG 3.43Å; K702-S705 PolarHBondContact O-OG 3.27Å; S705-V710 VanDerWaalsContact CB-CG2 3.48Å
706	S	51.8	Low	64	Low	55 Å²	55	60.7 Å²	60.7	39%	0.385	34%	0.338	S	S	.	.			trans	-74	133.2	139.8	85	0	0	0	0	106.9	S704 S708 D709	S704-S706 PolarHBondContact O-N 3.26Å; S706-S708 PolarHBondContact O-N 3Å; S706-S708 PolarHBondContact OG-OG 3.31Å; S706-D709 PolarHBondContact O-N 3.07Å; S706-D709 PolarHBondContact OG-OD2 3.15Å
707	N	48.2	Very low	63.7	Low	146 Å²	146	57.2 Å²	57.2	78%	0.781	32%	0.319	S	S	*	.	H	α-helix	trans	-56.3	-23.8	-171.1	-96.9	-7	0	0	0	114.1
708	S	49.1	Very low	62.9	Low	86 Å²	86	56.2 Å²	56.2	60%	0.601	32%	0.318	S	S	*	.	H	α-helix	trans	-74.6	-31.2	177	49.2	0	0	0	0	113.9	S706 S712	S706-S708 PolarHBondContact O-N 3Å; S706-S708 PolarHBondContact OG-OG 3.31Å; S708-S712 PolarHBondContact O-N 2.99Å
709	D	53	Low	62.1	Low	84 Å²	84	58 Å²	58	45%	0.449	33%	0.325	S	S	.	.	H	α-helix	trans	-73.8	-39.6	-176.4	-75.8	-39.5	0	0	0	111.7	S706 T711 S712 V713	S706-D709 PolarHBondContact O-N 3.07Å; S706-D709 PolarHBondContact OG-OD2 3.15Å; D709-T711 PolarHBondContact O-N 2.67Å; D709-S712 PolarHBondContact O-N 3.24Å; D709-S712 PolarHBondContact O-OG 3.21Å; D709-V713 WeakPolarHBondContact O-CB 3.45Å; D709-V713 VanDerWaalsContact O-CG2 3.25Å; D709-V713 WeakPolarHBondContact O-CG2 3.48Å; D709-V713 PolarHBondContact O-N 2.86Å
710	V	55.9	Low	60.6	Low	19 Å²	19	59 Å²	59	12%	0.115	34%	0.336	C	S	.	.	H	α-helix	trans	-60.8	-47.5	-177.3	179.6	0	0	0	0	111.3	I700 S705 S712 V713 I714	I700-V710 HydrophobicContact CD1-CG1 4.38Å; I700-V710 HydrophobicContact CG2-CG1 4.3Å; I700-V710 HydrophobicContact CG2-CG2 3.85Å; S705-V710 VanDerWaalsContact CB-CG2 3.48Å; V710-S712 PolarHBondContact O-N 2.79Å; V710-V713 PolarHBondContact O-N 2.9Å; V710-I714 HydrophobicContact CG1-CD1 3.57Å; V710-I714 HydrophobicContact CG1-CG1 4.4Å; V710-I714 WeakPolarHBondContact O-CB 3.3Å; V710-I714 WeakPolarHBondContact O-CD1 3.09Å; V710-I714 WeakPolarHBondContact O-CG1 3.42Å; V710-I714 PolarHBondContact O-N 3.12Å
711	T	58.9	Low	58.9	Low	54 Å²	54	60.3 Å²	60.3	33%	0.331	35%	0.347	S	S	.	.	H	α-helix	trans	-61.3	-43.8	177.1	-53.6	0	0	0	0	111.7	D709 I714 Q715 F794 N798	D709-T711 PolarHBondContact O-N 2.67Å; T711-I714 PolarHBondContact O-N 3.42Å; T711-Q715 WeakPolarHBondContact O-CB 3.35Å; T711-Q715 PolarHBondContact O-N 2.81Å; T711-F794 HydrophobicContact CG2-CZ 3.99Å; T711-N798 WeakPolarHBondContact CG2-OD1 3.49Å
712	S	60	Low	57.3	Low	50 Å²	50	67.2 Å²	67.2	35%	0.35	38%	0.384	S	S	.	.	H	α-helix	trans	-66.8	-39.7	179.4	76.4	0	0	0	0	112.7	S708 D709 V710 Q715 N716	S708-S712 PolarHBondContact O-N 2.99Å; D709-S712 PolarHBondContact O-N 3.24Å; D709-S712 PolarHBondContact O-OG 3.21Å; V710-S712 PolarHBondContact O-N 2.79Å; S712-Q715 WeakPolarHBondContact O-CB 3.22Å; S712-Q715 PolarHBondContact O-N 2.92Å; S712-N716 WeakPolarHBondContact O-CB 3.41Å; S712-N716 VanDerWaalsContact O-CG 3.28Å; S712-N716 PolarHBondContact O-N 3.17Å; S712-N716 PolarHBondContact O-ND2 2.87Å
713	V	60.7	Low	55.8	Low	35 Å²	35	66.7 Å²	66.7	21%	0.212	39%	0.386	C	S	.	.	H	α-helix	trans	-66.2	-46.9	176.6	168.6	0	0	0	0	110.1	T698 I700 D709 V710 Q715 N716 L717	T698-V713 HydrophobicContact CG2-CG1 3.58Å; I700-V713 HydrophobicContact CD1-CB 4.4Å; I700-V713 HydrophobicContact CD1-CG1 3.81Å; I700-V713 HydrophobicContact CG1-CG1 4.3Å; D709-V713 WeakPolarHBondContact O-CB 3.45Å; D709-V713 VanDerWaalsContact O-CG2 3.25Å; D709-V713 WeakPolarHBondContact O-CG2 3.48Å; D709-V713 PolarHBondContact O-N 2.86Å; V710-V713 PolarHBondContact O-N 2.9Å; V713-Q715 VanDerWaalsContact C-N 3.27Å; V713-Q715 PolarHBondContact O-N 2.9Å; V713-N716 PolarHBondContact O-N 3Å; V713-L717 HydrophobicContact CG1-CD1 3.76Å; V713-L717 WeakPolarHBondContact O-CB 3.49Å; V713-L717 WeakPolarHBondContact O-CD1 3.2Å; V713-L717 VanDerWaalsContact O-CG 3.24Å; V713-L717 WeakPolarHBondContact O-CG 3.44Å; V713-L717 PolarHBondContact O-N 2.83Å
714	I	61.2	Low	54.7	Low	2 Å²	2	70.1 Å²	70.1	1%	0.01	40%	0.402	C	S	.	.	H	α-helix	trans	-59.7	-40.4	174.9	-68.9	164	0	0	0	110.5	I700 V710 T711 L717 C718 F794 L797	I700-I714 HydrophobicContact CD1-CG1 4.45Å; V710-I714 HydrophobicContact CG1-CD1 3.57Å; V710-I714 HydrophobicContact CG1-CG1 4.4Å; V710-I714 WeakPolarHBondContact O-CB 3.3Å; V710-I714 WeakPolarHBondContact O-CD1 3.09Å; V710-I714 WeakPolarHBondContact O-CG1 3.42Å; V710-I714 PolarHBondContact O-N 3.12Å; T711-I714 PolarHBondContact O-N 3.42Å; I714-L717 PolarHBondContact O-N 2.76Å; I714-C718 PolarHBondContact O-N 2.85Å; I714-C718 PolarHBondContact O-SG 2.83Å; I714-F794 HydrophobicContact CB-CE2 4.42Å; I714-F794 HydrophobicContact CG2-CD2 3.79Å; I714-F794 HydrophobicContact CG2-CE2 3.93Å; I714-L797 HydrophobicContact CD1-CB 3.71Å; I714-L797 HydrophobicContact CG1-CB 4.29Å; I714-L797 HydrophobicContact CG1-CD1 4.35Å; I714-L797 HydrophobicContact CG2-CB 3.92Å; I714-L797 HydrophobicContact CG2-CD1 4.08Å
715	Q	62	Low	53.7	Low	71 Å²	71	73.9 Å²	73.9	33%	0.332	42%	0.423	S	S	.	.	H	α-helix	trans	-63.5	-51.3	178.2	-168.6	83	68.2	0	0	110.5	T711 S712 V713 L717 C718 D719 F794	T711-Q715 WeakPolarHBondContact O-CB 3.35Å; T711-Q715 PolarHBondContact O-N 2.81Å; S712-Q715 WeakPolarHBondContact O-CB 3.22Å; S712-Q715 PolarHBondContact O-N 2.92Å; V713-Q715 VanDerWaalsContact C-N 3.27Å; V713-Q715 PolarHBondContact O-N 2.9Å; Q715-L717 PolarHBondContact O-N 2.86Å; Q715-C718 CarbonylContact O-C 3.39Å; Q715-C718 WeakPolarHBondContact O-CA 3.48Å; Q715-C718 WeakPolarHBondContact O-CB 3.48Å; Q715-C718 PolarHBondContact O-N 3.5Å; Q715-D719 VanDerWaalsContact O-CG 3.26Å; Q715-D719 PolarHBondContact O-N 3.35Å; Q715-F794 HydrophobicContact CB-CD2 4.22Å; Q715-F794 HydrophobicContact CB-CE2 3.43Å; Q715-F794 VanDerWaalsContact CB-CE2 3.43Å; Q715-F794 HydrophobicContact CB-CZ 3.99Å; Q715-F794 HydrophobicContact CG-CE2 3.96Å; Q715-F794 HydrophobicContact CG-CZ 4.25Å
716	N	60.9	Low	53.4	Low	105 Å²	105	73 Å²	73	56%	0.561	42%	0.418	S	S	*	.	H	α-helix	trans	-58.2	-37.1	177.1	-73.4	-27.8	0	0	0	112.3	S712 V713 D719 A720	S712-N716 WeakPolarHBondContact O-CB 3.41Å; S712-N716 VanDerWaalsContact O-CG 3.28Å; S712-N716 PolarHBondContact O-N 3.17Å; S712-N716 PolarHBondContact O-ND2 2.87Å; V713-N716 PolarHBondContact O-N 3Å; N716-D719 PolarHBondContact O-N 2.89Å; N716-A720 WeakPolarHBondContact O-CB 3.08Å; N716-A720 PolarHBondContact O-N 3.03Å
717	L	57.2	Low	53.5	Low	26 Å²	26	73.4 Å²	73.4	14%	0.136	42%	0.416	C	S	.	.	H	α-helix	trans	-69.9	-29.1	174.4	-74.5	160.4	0	0	0	113.2	A689 V713 I714 Q715 K789	A689-L717 HydrophobicContact CB-CD1 3.24Å; A689-L717 HydrophobicContact CB-CD2 3.6Å; A689-L717 HydrophobicContact CB-CG 4.02Å; V713-L717 HydrophobicContact CG1-CD1 3.76Å; V713-L717 WeakPolarHBondContact O-CB 3.49Å; V713-L717 WeakPolarHBondContact O-CD1 3.2Å; V713-L717 VanDerWaalsContact O-CG 3.24Å; V713-L717 WeakPolarHBondContact O-CG 3.44Å; V713-L717 PolarHBondContact O-N 2.83Å; I714-L717 PolarHBondContact O-N 2.76Å; Q715-L717 PolarHBondContact O-N 2.86Å; L717-K789 PolarHBondContact O-NZ 3.4Å
718	C	56.4	Low	54.3	Low	20 Å²	20	70.3 Å²	70.3	14%	0.135	40%	0.399	C	S	.	.	H	α-helix	trans	-76.1	-37.1	172.7	-66.2	0	0	0	0	111.5	I714 Q715 S721 L793 F794	I714-C718 PolarHBondContact O-N 2.85Å; I714-C718 PolarHBondContact O-SG 2.83Å; Q715-C718 CarbonylContact O-C 3.39Å; Q715-C718 WeakPolarHBondContact O-CA 3.48Å; Q715-C718 WeakPolarHBondContact O-CB 3.48Å; Q715-C718 PolarHBondContact O-N 3.5Å; C718-S721 PolarHBondContact O-N 2.86Å; C718-S721 PolarHBondContact O-OG 2.66Å; C718-L793 VanDerWaalsContact SG-CD2 3.54Å; C718-F794 HydrophobicContact CB-CD2 4.29Å
719	D	58.4	Low	55.6	Low	93 Å²	93	67.4 Å²	67.4	50%	0.497	38%	0.379	S	S	.	.	H	α-helix	trans	-73.6	-32.1	-178.1	-63.5	-17.5	0	0	0	111.8	Q715 N716 S721	Q715-D719 VanDerWaalsContact O-CG 3.26Å; Q715-D719 PolarHBondContact O-N 3.35Å; N716-D719 PolarHBondContact O-N 2.89Å; D719-S721 VanDerWaalsContact C-N 3.25Å; D719-S721 PolarHBondContact O-N 2.95Å
720	A	50.6	Low	57.1	Low	42 Å²	42	63.6 Å²	63.6	35%	0.347	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-68.1	-18.7	176.3	0	0	0	0	0	114.3	N716 N722	N716-A720 WeakPolarHBondContact O-CB 3.08Å; N716-A720 PolarHBondContact O-N 3.03Å; A720-N722 VanDerWaalsContact C-N 3.32Å; A720-N722 PolarHBondContact O-N 2.98Å
721	S	45.4	Very low	58.7	Low	40 Å²	40	62.7 Å²	62.7	28%	0.28	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-79.1	1.5	-175	33.7	0	0	0	0	116.5	C718 D719 N723 K789	C718-S721 PolarHBondContact O-N 2.86Å; C718-S721 PolarHBondContact O-OG 2.66Å; D719-S721 VanDerWaalsContact C-N 3.25Å; D719-S721 PolarHBondContact O-N 2.95Å; S721-N723 PolarHBondContact O-N 2.9Å; S721-N723 VanDerWaalsContact O-N 3.17Å; S721-K789 VanDerWaalsContact CB-NZ 3.31Å; S721-K789 PolarHBondContact OG-NZ 2.8Å
722	N	49.9	Very low	60.3	Low	147 Å²	147	60.1 Å²	60.1	79%	0.786	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-74	2.6	174.7	-75.6	-21.4	0	0	0	114.4	A720	A720-N722 VanDerWaalsContact C-N 3.32Å; A720-N722 PolarHBondContact O-N 2.98Å
723	N	45.3	Very low	62	Low	100 Å²	100	57.8 Å²	57.8	54%	0.535	32%	0.321	S	S	.	.	S	Bend	trans	-102.4	117.9	172.8	-80.6	-30.7	0	0	0	110.6	S721 T725 A726	S721-N723 PolarHBondContact O-N 2.9Å; S721-N723 VanDerWaalsContact O-N 3.17Å; N723-T725 PolarHBondContact O-N 3.1Å; N723-A726 PolarHBondContact O-N 3.09Å
724	E	46.2	Very low	63.6	Low	207 Å²	207	56.1 Å²	56.1	97%	0.967	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-9	-177.7	-71.4	-176.7	154.5	0	0	115.3
725	T	43.7	Very low	65.3	Low	133 Å²	133	59.5 Å²	59.5	82%	0.816	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	0.6	-177.6	56.9	0	0	0	0	114.7	N723	N723-T725 PolarHBondContact O-N 3.1Å
726	A	45.9	Very low	66.9	Low	17 Å²	17	59.1 Å²	59.1	14%	0.14	32%	0.324	C	S	.	.	S	Bend	trans	-83.3	137.6	-175.8	0	0	0	0	0	112.9	N692 N723 N728	N692-A726 WeakPolarHBondContact OD1-CB 3.35Å; N723-A726 PolarHBondContact O-N 3.09Å; A726-N728 PolarHBondContact O-N 3.32Å
727	N	55.3	Low	68.7	Low	65 Å²	65	54.1 Å²	54.1	35%	0.348	30%	0.297	S	S	.	.			trans	-71.8	97	-178.8	-158.1	21.4	0	0	0	110.4	H694 S729	H694-N727 PolarHBondContact CE1-ND2 3.3Å; N727-S729 VanDerWaalsContact C-N 3.26Å; N727-S729 PolarHBondContact O-N 2.62Å
728	N	64.9	Low	70.5	Confident	80 Å²	80	53.2 Å²	53.2	43%	0.428	29%	0.292	S	S	.	.			trans	-76.9	52.2	-170.2	-95.9	-17.8	0	0	0	114.6	A726 K789	A726-N728 PolarHBondContact O-N 3.32Å; N728-K789 HydrophobicContact CB-CB 4.24Å; N728-K789 WeakPolarHBondContact O-CB 3.45Å; N728-K789 PolarHBondContact O-N 3.18Å; N728-K789 VanDerWaalsContact O-N 3.14Å
729	S	74.7	Confident	72.5	Confident	25 Å²	25	52.2 Å²	52.2	18%	0.175	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	138	-177.4	17.8	0	0	0	0	113.6	N727 C787	N727-S729 VanDerWaalsContact C-N 3.26Å; N727-S729 PolarHBondContact O-N 2.62Å; S729-C787 WeakPolarHBondContact CA-O 3.22Å
730	L	84.7	Confident	74.3	Confident	5 Å²	5	48 Å²	48	3%	0.026	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	137.6	173.7	-99.8	141.1	0	0	0	110.1	L687 A689 F732 W786 C787 K789 L793 L797	L687-L730 HydrophobicContact CD1-CD2 3.65Å; L687-L730 HydrophobicContact CD2-CD2 3.96Å; L687-L730 HydrophobicContact CG-CD2 3.81Å; A689-L730 HydrophobicContact CB-CD2 4.44Å; L730-F732 HydrophobicContact CB-CE2 4.04Å; L730-W786 CarbonylContact O-C 3.58Å; L730-W786 WeakPolarHBondContact O-CA 3.2Å; L730-C787 PolarHBondContact N-O 3.27Å; L730-C787 PolarHBondContact O-N 3.38Å; L730-K789 HydrophobicContact CD1-CG 4.14Å; L730-L793 HydrophobicContact CD1-CD1 3.31Å; L730-L793 HydrophobicContact CD1-CD2 4.21Å; L730-L793 HydrophobicContact CD1-CG 4.3Å; L730-L797 HydrophobicContact CD1-CD1 4.39Å; L730-L797 HydrophobicContact CD2-CD1 4.41Å
731	G	89.8	Confident	76.3	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	121.4	176.9	0	0	0	0	0	111.6	L687 L688 H785	L687-G731 CarbonylContact C-O 3.59Å; L688-G731 PolarHBondContact N-O 3.07Å; L688-G731 PolarHBondContact O-N 3.25Å; G731-H785 WeakPolarHBondContact CA-O 3.39Å
732	F	92.8	Very high	78.5	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	135.6	174.7	-67.3	-102.7	0	0	0	111	L684 L687 L730 F734 I753 F762 H785 C787	L684-F732 HydrophobicContact CD1-CB 4.19Å; L684-F732 HydrophobicContact CD1-CD1 3.72Å; L684-F732 HydrophobicContact CD1-CG 4.45Å; L687-F732 HydrophobicContact CD1-CD1 3.51Å; L687-F732 HydrophobicContact CD1-CD2 4.18Å; L687-F732 HydrophobicContact CD1-CE1 3.38Å; L687-F732 HydrophobicContact CD1-CE2 4.06Å; L687-F732 HydrophobicContact CD1-CG 3.92Å; L687-F732 HydrophobicContact CD1-CZ 3.67Å; L730-F732 HydrophobicContact CB-CE2 4.04Å; F732-F734 HydrophobicContact CB-CD2 4.3Å; F732-F734 HydrophobicContact CB-CE2 3.47Å; F732-F734 VanDerWaalsContact CB-CE2 3.47Å; F732-F734 HydrophobicContact CB-CZ 3.78Å; F732-F734 HydrophobicContact CD1-CZ 4.08Å; F732-F734 HydrophobicContact CG-CE2 4.34Å; F732-F734 HydrophobicContact CG-CZ 4.25Å; F732-I753 HydrophobicContact CB-CD1 4.03Å; F732-I753 HydrophobicContact CD2-CD1 3.94Å; F732-I753 HydrophobicContact CG-CD1 3.94Å; F732-F762 HydrophobicContact CE2-CD1 4.15Å; F732-F762 HydrophobicContact CE2-CG 4.25Å; F732-F762 AromaticContact CZ-CD1 3.95Å; F732-F762 HydrophobicContact CZ-CD1 3.95Å; F732-F762 HydrophobicContact CZ-CD2 4.25Å; F732-F762 AromaticContact CZ-CE1 3.98Å; F732-F762 HydrophobicContact CZ-CE1 3.98Å; F732-F762 HydrophobicContact CZ-CE2 4.3Å; F732-F762 HydrophobicContact CZ-CG 4.08Å; F732-F762 HydrophobicContact CZ-CZ 4.17Å; F732-H785 HydrophobicContact CB-CB 4.34Å; F732-H785 PolarHBondContact N-O 3.48Å; F732-H785 PolarHBondContact O-N 3.2Å; F732-H785 PolarHBondContact O-ND1 2.88Å; F732-C787 HydrophobicContact CD2-CB 4.35Å; F732-C787 HydrophobicContact CE2-CB 4.15Å
733	I	94.9	Very high	80.2	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	125.3	176.1	-55.2	173	0	0	0	108.1	L645 L684 L685 G686 L688 W782 I784	L645-I733 HydrophobicContact CD1-CD1 3.88Å; L645-I733 HydrophobicContact CD2-CD1 3.77Å; L645-I733 HydrophobicContact CG-CD1 4.47Å; L684-I733 WeakPolarHBondContact CD1-O 3.4Å; L685-I733 HydrophobicContact CB-CG2 4.23Å; L685-I733 PolarHBondContact N-O 3.4Å; G686-I733 PolarHBondContact N-O 3.14Å; G686-I733 PolarHBondContact O-N 2.99Å; L688-I733 HydrophobicContact CD1-CD1 4.11Å; I733-W782 HydrophobicContact CG2-CB 4.17Å; I733-W782 HydrophobicContact CG2-CG 4.48Å; I733-I784 HydrophobicContact CD1-CG1 4.23Å; I733-I784 HydrophobicContact CG1-CG1 4.04Å
734	F	95.9	Very high	82	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	159.7	-177.3	-65	-77.3	0	0	0	112	T653 T682 K683 L684 F732 K736 I753 H785 F806 L808	T653-F734 WeakPolarHBondContact CB-O 3.46Å; T653-F734 WeakPolarHBondContact CG2-O 3.09Å; T653-F734 PolarHBondContact OG1-O 3.36Å; T682-F734 HydrophobicContact CG2-CB 3.88Å; T682-F734 HydrophobicContact CG2-CD1 3.57Å; T682-F734 HydrophobicContact CG2-CE1 4.29Å; T682-F734 HydrophobicContact CG2-CG 3.79Å; K683-F734 WeakPolarHBondContact O-CA 3.46Å; K683-F734 WeakPolarHBondContact O-CD1 3.32Å; L684-F734 HydrophobicContact CB-CD1 4.33Å; L684-F734 HydrophobicContact CB-CE1 4.17Å; L684-F734 HydrophobicContact CD1-CD1 3.92Å; L684-F734 HydrophobicContact CD1-CE1 3.49Å; L684-F734 VanDerWaalsContact CD1-CE1 3.49Å; L684-F734 HydrophobicContact CD1-CZ 3.83Å; L684-F734 HydrophobicContact CG-CE1 4.47Å; F732-F734 HydrophobicContact CB-CD2 4.3Å; F732-F734 HydrophobicContact CB-CE2 3.47Å; F732-F734 VanDerWaalsContact CB-CE2 3.47Å; F732-F734 HydrophobicContact CB-CZ 3.78Å; F732-F734 HydrophobicContact CD1-CZ 4.08Å; F732-F734 HydrophobicContact CG-CE2 4.34Å; F732-F734 HydrophobicContact CG-CZ 4.25Å; F734-K736 VanDerWaalsContact C-N 3.34Å; F734-K736 WeakPolarHBondContact CB-O 3.44Å; F734-I753 HydrophobicContact CE2-CD1 3.74Å; F734-I753 HydrophobicContact CE2-CG1 4.34Å; F734-I753 HydrophobicContact CE2-CG2 4.34Å; F734-I753 HydrophobicContact CZ-CD1 4Å; F734-I753 HydrophobicContact CZ-CG2 3.72Å; F734-H785 AromaticContact CD2-CE1 3.7Å; F734-H785 AromaticContact CD2-ND1 3.6Å; F734-F806 HydrophobicContact CE1-CB 3.86Å; F734-F806 HydrophobicContact CE1-CD1 4.11Å; F734-F806 HydrophobicContact CE1-CD2 4.08Å; F734-F806 AromaticContact CE1-CG 3.77Å; F734-F806 HydrophobicContact CE1-CG 3.77Å; F734-F806 HydrophobicContact CZ-CD1 4.36Å; F734-F806 HydrophobicContact CZ-CG 4.43Å; F734-L808 HydrophobicContact CD2-CD1 4.12Å; F734-L808 HydrophobicContact CD2-CD2 4.03Å; F734-L808 HydrophobicContact CE2-CD2 3.75Å; F734-L808 HydrophobicContact CG-CD1 4.35Å; F734-L808 HydrophobicContact CZ-CD2 4.17Å
735	E	95.7	Very high	84	Confident	74 Å²	74	33.9 Å²	33.9	35%	0.346	20%	0.201	S	C	.	.	S	Bend	trans	-60.4	-45.3	173.2	179.7	-166.5	155.9	0	0	111.3	T653 D654 K683 L685	T653-E735 CarbonylContact C-O 3.58Å; T653-E735 WeakPolarHBondContact CA-O 3.49Å; D654-E735 PolarHBondContact N-O 3.38Å; K683-E735 PolarHBondContact O-N 2.98Å; L685-E735 HydrophobicContact CD1-CB 4.49Å; L685-E735 HydrophobicContact CD2-CB 4.38Å; L685-E735 HydrophobicContact CG-CB 4.38Å
736	K	96.6	Very high	86.4	Confident	63 Å²	63	27.6 Å²	27.6	27%	0.274	16%	0.162	S	C	.	.	B	Isolated β-bridge	trans	-133.4	148.7	-176.7	-35.5	175.7	-166	174.5	0	109.8	D654 F657 T682 F734 L808	D654-K736 CarbonylContact O-C 3.5Å; D654-K736 VanDerWaalsContact O-CA 3.24Å; D654-K736 WeakPolarHBondContact O-CA 3.23Å; F657-K736 HydrophobicContact CD2-CB 4.17Å; F657-K736 HydrophobicContact CE2-CB 4.14Å; F657-K736 HydrophobicContact CE2-CD 3.94Å; F657-K736 HydrophobicContact CE2-CG 4.35Å; F657-K736 HydrophobicContact CZ-CD 4Å; T682-K736 WeakPolarHBondContact CB-O 3.46Å; T682-K736 PolarHBondContact OG1-N 2.89Å; T682-K736 PolarHBondContact OG1-O 3.32Å; F734-K736 VanDerWaalsContact C-N 3.34Å; F734-K736 WeakPolarHBondContact CB-O 3.44Å; K736-L808 WeakPolarHBondContact O-CD1 3.41Å
737	T	97.3	Very high	88.8	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.166	C	C	.	.			trans	-148.2	140.2	172.3	-173	0	0	0	0	113.5	T653 D654 D655 F739 I783 H785	T653-T737 HydrophobicContact CG2-CG2 3.77Å; D654-T737 PolarHBondContact O-N 2.84Å; D655-T737 HydrophobicContact CB-CG2 3.96Å; T737-F739 WeakPolarHBondContact OG1-CB 3.45Å; T737-F739 PolarHBondContact OG1-N 3.03Å; T737-F739 VanDerWaalsContact OG1-N 3.07Å; T737-I783 HydrophobicContact CG2-CB 4.15Å; T737-I783 HydrophobicContact CG2-CG1 4.01Å; T737-I783 HydrophobicContact CG2-CG2 4.26Å; T737-H785 WeakPolarHBondContact CB-NE2 3.36Å; T737-H785 PolarHBondContact OG1-NE2 3.39Å
738	N	97	Very high	90.7	Very high	6 Å²	6	25.9 Å²	25.9	3%	0.032	15%	0.152	C	C	.	.			trans	-89.1	-0.8	167.9	60.7	-12.9	0	0	0	113	F657 K658 P678 C680 L808 R815	F657-N738 HydrophobicContact CB-CB 4.3Å; K658-N738 WeakPolarHBondContact CA-O 3.25Å; P678-N738 PolarHBondContact O-ND2 2.86Å; C680-N738 HydrophobicContact CB-CB 3.8Å; N738-L808 PolarHBondContact ND2-O 3.21Å; N738-L808 VanDerWaalsContact ND2-O 3.16Å; N738-L808 WeakPolarHBondContact OD1-CB 3.5Å; N738-L808 PolarHBondContact OD1-O 3.29Å; N738-R815 PolarHBondContact O-NH2 2.77Å
739	F	97.5	Very high	92.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.132	C	C	.	.			trans	-79.2	130.8	178.6	-77.1	-113.4	0	0	0	111.5	T737 D749 V764 T767 L808 R809 I810	T737-F739 WeakPolarHBondContact OG1-CB 3.45Å; T737-F739 PolarHBondContact OG1-N 3.03Å; T737-F739 VanDerWaalsContact OG1-N 3.07Å; F739-D749 HydrophobicContact CD1-CB 3.87Å; F739-D749 HydrophobicContact CG-CB 4.47Å; F739-V764 HydrophobicContact CD1-CB 4.48Å; F739-V764 HydrophobicContact CD1-CG1 4.06Å; F739-V764 HydrophobicContact CE1-CB 3.7Å; F739-V764 HydrophobicContact CE1-CG1 3.77Å; F739-V764 HydrophobicContact CE1-CG2 3.9Å; F739-V764 HydrophobicContact CZ-CB 4.2Å; F739-V764 HydrophobicContact CZ-CG2 3.93Å; F739-T767 HydrophobicContact CB-CG2 3.86Å; F739-T767 HydrophobicContact CD1-CG2 4Å; F739-T767 HydrophobicContact CG-CG2 4.26Å; F739-L808 HydrophobicContact CD2-CB 4.3Å; F739-L808 HydrophobicContact CE2-CB 3.93Å; F739-L808 HydrophobicContact CE2-CD2 4.43Å; F739-R809 WeakPolarHBondContact CZ-O 3.19Å; F739-I810 HydrophobicContact CD1-CG2 4.11Å; F739-I810 HydrophobicContact CD2-CG2 3.62Å; F739-I810 HydrophobicContact CE1-CG2 4.18Å; F739-I810 HydrophobicContact CE2-CG2 3.68Å; F739-I810 HydrophobicContact CG-CG2 3.83Å; F739-I810 HydrophobicContact CZ-CG2 3.98Å
740	F	95.8	Very high	93.2	Very high	5 Å²	5	22.2 Å²	22.2	2%	0.022	13%	0.132	C	C	.	.			trans	-78	141.7	168.3	-172.8	-90.6	0	0	0	110.1	K658 Q746 A748 D749 T767 G955 T957	K658-F740 HydrophobicContact CD-CD2 3.97Å; F740-Q746 HydrophobicContact CD1-CG 4.16Å; F740-Q746 HydrophobicContact CE1-CB 3.65Å; F740-Q746 HydrophobicContact CE1-CG 3.77Å; F740-Q746 HydrophobicContact CZ-CB 4.05Å; F740-Q746 HydrophobicContact CZ-CG 4.37Å; F740-A748 WeakPolarHBondContact O-CA 3.46Å; F740-D749 WeakPolarHBondContact CA-OD2 3.21Å; F740-D749 WeakPolarHBondContact CB-OD2 3.41Å; F740-D749 PolarHBondContact N-OD2 3.24Å; F740-D749 PolarHBondContact O-N 2.97Å; F740-T767 PolarHBondContact O-OG1 2.88Å; F740-G955 WeakPolarHBondContact CE2-O 3.35Å; F740-T957 HydrophobicContact CD2-CG2 3.98Å
741	T	93.5	Very high	93.7	Very high	6 Å²	6	22.1 Å²	22.1	4%	0.037	13%	0.132	C	C	.	.			trans	-110.3	139.4	-179.5	-63.8	0	0	0	0	110.8	R743 T767 F769	T741-R743 PolarHBondContact O-N 3.44Å; T741-T767 VanDerWaalsContact CA-OG1 3.24Å; T741-T767 WeakPolarHBondContact CA-OG1 3.34Å; T741-T767 PolarHBondContact OG1-OG1 3.41Å; T741-F769 HydrophobicContact CG2-CB 3.86Å; T741-F769 VanDerWaalsContact CG2-N 3.31Å
742	S	90.5	Very high	93.9	Very high	54 Å²	54	25.3 Å²	25.3	38%	0.378	15%	0.146	S	C	.	.	S	Bend	trans	-59.5	105.2	-172.6	-165.7	0	0	0	0	112.1	Q746	S742-Q746 WeakPolarHBondContact CA-O 3.11Å; S742-Q746 PolarHBondContact OG-O 2.94Å
743	R	87	Confident	93.9	Very high	98 Å²	98	25.3 Å²	25.3	37%	0.37	15%	0.146	S	C	.	.	B	Isolated β-bridge	trans	-157	154.7	-174.4	-87.2	-174.7	157.4	-166.4	-17	109.2	T741 G745 Q746 F769 S778	T741-R743 PolarHBondContact O-N 3.44Å; R743-G745 PolarHBondContact O-N 2.93Å; R743-G745 VanDerWaalsContact O-N 3.13Å; R743-Q746 PolarHBondContact N-O 3.36Å; R743-Q746 PolarHBondContact O-N 3.3Å; R743-Q746 VanDerWaalsContact O-N 3.1Å; R743-F769 VanDerWaalsContact CZ-CE1 3.49Å; R743-F769 VanDerWaalsContact CZ-CG 3.46Å; R743-S778 PolarHBondContact NH1-O 3.37Å; R743-S778 PolarHBondContact NH2-O 3.32Å
744	G	82.7	Confident	93.7	Very high	54 Å²	54	27.7 Å²	27.7	56%	0.557	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.3	20.8	179.7	0	0	0	0	0	114.2	Q746	G744-Q746 VanDerWaalsContact C-N 3.33Å
745	G	87.8	Confident	93	Very high	27 Å²	27	28.7 Å²	28.7	28%	0.278	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.3	-9.7	-176	0	0	0	0	0	115.1	R743 T852 S853	R743-G745 PolarHBondContact O-N 2.93Å; R743-G745 VanDerWaalsContact O-N 3.13Å; G745-T852 CarbonylContact O-C 3.48Å; G745-T852 WeakPolarHBondContact O-CA 3.43Å; G745-S853 PolarHBondContact O-N 3.15Å
746	Q	94.6	Very high	91.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-83.5	138	176.5	-175.2	-176	-44	0	0	111.1	F740 S742 R743 G744 L818 H822 T957	F740-Q746 HydrophobicContact CD1-CG 4.16Å; F740-Q746 HydrophobicContact CE1-CB 3.65Å; F740-Q746 HydrophobicContact CE1-CG 3.77Å; F740-Q746 HydrophobicContact CZ-CB 4.05Å; F740-Q746 HydrophobicContact CZ-CG 4.37Å; S742-Q746 WeakPolarHBondContact CA-O 3.11Å; S742-Q746 PolarHBondContact OG-O 2.94Å; R743-Q746 PolarHBondContact N-O 3.36Å; R743-Q746 PolarHBondContact O-N 3.3Å; R743-Q746 VanDerWaalsContact O-N 3.1Å; G744-Q746 VanDerWaalsContact C-N 3.33Å; Q746-L818 HydrophobicContact CG-CB 4.39Å; Q746-L818 HydrophobicContact CG-CD2 4.27Å; Q746-H822 PolarHBondContact OE1-ND1 3.15Å; Q746-T957 PolarHBondContact NE2-OG1 3.46Å; Q746-T957 VanDerWaalsContact OE1-N 3.12Å; Q746-T957 PolarHBondContact OE1-OG1 3.43Å
747	D	95.3	Very high	90	Very high	39 Å²	39	29.4 Å²	29.4	21%	0.209	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-64.3	156.6	172	-78.5	-4.9	0	0	0	112.1	R814 L818 S853 H854	D747-R814 IonicContact OD2-NH2 3.74Å; D747-L818 HydrophobicContact CB-CD2 3.9Å; D747-S853 PolarHBondContact N-O 3.45Å; D747-H854 IonicContact OD1-CE1 2.69Å; D747-H854 PolarHBondContact OD1-CE1 3.02Å; D747-H854 IonicContact OD1-ND1 3.46Å; D747-H854 PolarHBondContact OD1-ND1 2.86Å; D747-H854 IonicContact OD2-CE1 3.14Å; D747-H854 IonicContact OD2-CG 3.51Å; D747-H854 IonicContact OD2-ND1 2.82Å; D747-H854 PolarHBondContact OD2-ND1 2.76Å
748	A	95.1	Very high	88.1	Confident	8 Å²	8	34.6 Å²	34.6	7%	0.066	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-68.3	153.8	172.8	0	0	0	0	0	112.2	F740 E766 T767 R814	F740-A748 WeakPolarHBondContact O-CA 3.46Å; A748-E766 HydrophobicContact CB-CG 4.34Å; A748-T767 WeakPolarHBondContact CB-OG1 3.42Å; A748-R814 PolarHBondContact O-NE 2.67Å; A748-R814 PolarHBondContact O-NH2 3.02Å; A748-R814 VanDerWaalsContact O-NH2 3.12Å
749	D	96.8	Very high	86.4	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-72	154.1	165.8	-70.9	-50.2	0	0	0	111.8	F739 F740 I810 R815	F739-D749 HydrophobicContact CD1-CB 3.87Å; F739-D749 HydrophobicContact CG-CB 4.47Å; F740-D749 WeakPolarHBondContact CA-OD2 3.21Å; F740-D749 WeakPolarHBondContact CB-OD2 3.41Å; F740-D749 PolarHBondContact N-OD2 3.24Å; F740-D749 PolarHBondContact O-N 2.97Å; D749-I810 HydrophobicContact CB-CG2 4.41Å; D749-R815 VanDerWaalsContact CG-NE 3.33Å; D749-R815 IonicContact OD1-CZ 2.7Å; D749-R815 IonicContact OD1-NE 3.97Å; D749-R815 PolarHBondContact OD1-NE 2.64Å; D749-R815 IonicContact OD2-CZ 3.47Å; D749-R815 IonicContact OD2-NE 3.21Å; D749-R815 PolarHBondContact OD2-NE 3.38Å; D749-R815 IonicContact OD2-NH2 3.95Å; D749-R815 PolarHBondContact OD2-NH2 3.18Å
750	T	96.3	Very high	85	Confident	28 Å²	28	44.9 Å²	44.9	17%	0.172	26%	0.255	C	S	.	.			trans	-115.6	169.8	167.2	56.6	0	0	0	0	109	V764 I765 D811 R814	T750-V764 WeakPolarHBondContact CA-O 3.37Å; T750-V764 WeakPolarHBondContact CB-O 3.4Å; T750-I765 WeakPolarHBondContact CG2-O 3.31Å; T750-D811 WeakPolarHBondContact O-CB 3.48Å; T750-D811 PolarHBondContact O-N 3.3Å; T750-R814 WeakPolarHBondContact OG1-CD 3.48Å
751	G	95.5	Very high	84.3	Confident	3 Å²	3	49.4 Å²	49.4	3%	0.031	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160.8	-148.6	179.5	0	0	0	0	0	112.4	Q763 V764 R809	G751-Q763 CarbonylContact O-C 3.41Å; G751-Q763 WeakPolarHBondContact O-CA 3.39Å; G751-V764 PolarHBondContact N-O 2.94Å; G751-V764 PolarHBondContact O-N 3.46Å; G751-R809 CarbonylContact C-O 3.54Å; G751-R809 VanDerWaalsContact CA-O 3.25Å; G751-R809 WeakPolarHBondContact CA-O 3.41Å
752	F	94.1	Very high	84	Confident	66 Å²	66	49.3 Å²	49.3	29%	0.289	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	140	-174.1	-62.2	-83	0	0	0	112.4	H754 Q761 F762 Q763 R809	F752-H754 VanDerWaalsContact CB-CE1 3.5Å; F752-H754 WeakPolarHBondContact CB-CE1 3.35Å; F752-Q761 HydrophobicContact CD1-CB 4.34Å; F752-Q761 HydrophobicContact CD1-CG 3.85Å; F752-Q761 HydrophobicContact CE1-CG 4.29Å; F752-Q761 VanDerWaalsContact CE1-NE2 3.31Å; F752-F762 CarbonylContact C-O 3.51Å; F752-F762 VanDerWaalsContact CA-O 3.27Å; F752-F762 WeakPolarHBondContact CA-O 3.48Å; F752-Q763 HydrophobicContact CD1-CB 4.05Å; F752-Q763 HydrophobicContact CD1-CG 4.33Å; F752-Q763 HydrophobicContact CE1-CB 3.8Å; F752-Q763 HydrophobicContact CE1-CG 3.82Å; F752-Q763 HydrophobicContact CZ-CG 4.31Å; F752-R809 PolarHBondContact N-O 2.83Å; F752-R809 PolarHBondContact O-N 3.49Å
753	I	92.8	Very high	84	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	122.8	167.8	-51.3	171.1	0	0	0	107.2	F732 F734 Q761 F762 V764 H785 C787 F806 L808	F732-I753 HydrophobicContact CB-CD1 4.03Å; F732-I753 HydrophobicContact CD2-CD1 3.94Å; F732-I753 HydrophobicContact CG-CD1 3.94Å; F734-I753 HydrophobicContact CE2-CD1 3.74Å; F734-I753 HydrophobicContact CE2-CG1 4.34Å; F734-I753 HydrophobicContact CE2-CG2 4.34Å; F734-I753 HydrophobicContact CZ-CD1 4Å; F734-I753 HydrophobicContact CZ-CG2 3.72Å; I753-Q761 WeakPolarHBondContact O-CA 3.45Å; I753-F762 HydrophobicContact CB-CB 4.2Å; I753-F762 HydrophobicContact CB-CD2 4.48Å; I753-F762 HydrophobicContact CD1-CB 4.44Å; I753-F762 PolarHBondContact N-O 3.24Å; I753-F762 PolarHBondContact O-N 3.41Å; I753-V764 HydrophobicContact CD1-CG2 3.87Å; I753-V764 HydrophobicContact CG1-CG2 3.58Å; I753-H785 HydrophobicContact CD1-CB 4.3Å; I753-C787 VanDerWaalsContact CD1-SG 3.57Å; I753-F806 HydrophobicContact CG2-CB 4.46Å; I753-F806 HydrophobicContact CG2-CD1 3.71Å; I753-F806 HydrophobicContact CG2-CE1 4.46Å; I753-L808 HydrophobicContact CB-CD2 4.17Å; I753-L808 HydrophobicContact CD1-CD2 4.45Å; I753-L808 HydrophobicContact CG1-CD2 3.67Å; I753-L808 HydrophobicContact CG2-CD2 3.98Å
754	H	89.3	Confident	84.3	Confident	50 Å²	50	47.2 Å²	47.2	23%	0.231	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	134.6	177.5	-65.9	69.5	0	0	0	110.7	F752 V807	F752-H754 VanDerWaalsContact CB-CE1 3.5Å; F752-H754 WeakPolarHBondContact CB-CE1 3.35Å; H754-V807 HydrophobicContact CB-CB 4.26Å; H754-V807 PolarHBondContact N-O 3.24Å; H754-V807 PolarHBondContact O-N 3.49Å
755	Y	80.9	Confident	84.7	Confident	22 Å²	22	48 Å²	48	9%	0.086	26%	0.255	C	S	.	.			trans	-99.9	134.6	173.4	-166.2	-123.8	0	0	0	110.6	S757 K758 L760 N799 N801 Q804 F806	Y755-S757 VanDerWaalsContact C-N 3.3Å; Y755-S757 WeakPolarHBondContact CD1-OG 3.17Å; Y755-S757 WeakPolarHBondContact CE1-OG 3.28Å; Y755-S757 PolarHBondContact O-N 3.25Å; Y755-K758 VanDerWaalsContact O-O 3.09Å; Y755-L760 PolarHBondContact N-O 3.45Å; Y755-N799 PolarHBondContact OH-O 3.08Å; Y755-N801 PolarHBondContact OH-N 3.4Å; Y755-Q804 HydrophobicContact CE2-CB 3.94Å; Y755-Q804 PolarHBondContact OH-OE1 2.89Å; Y755-F806 AromaticContact CD2-CD1 3.74Å; Y755-F806 HydrophobicContact CD2-CD1 3.74Å; Y755-F806 HydrophobicContact CD2-CD2 4.28Å; Y755-F806 AromaticContact CD2-CE1 3.23Å; Y755-F806 HydrophobicContact CD2-CE1 3.23Å; Y755-F806 AromaticContact CD2-CE2 3.81Å; Y755-F806 HydrophobicContact CD2-CE2 3.81Å; Y755-F806 HydrophobicContact CD2-CG 4.26Å; Y755-F806 AromaticContact CD2-CZ 3.27Å; Y755-F806 HydrophobicContact CD2-CZ 3.27Å; Y755-F806 HydrophobicContact CE2-CD2 4.41Å; Y755-F806 AromaticContact CE2-CE1 3.82Å; Y755-F806 HydrophobicContact CE2-CE1 3.82Å; Y755-F806 AromaticContact CE2-CE2 3.64Å; Y755-F806 HydrophobicContact CE2-CE2 3.64Å; Y755-F806 AromaticContact CE2-CZ 3.31Å; Y755-F806 HydrophobicContact CE2-CZ 3.31Å; Y755-F806 HydrophobicContact CG-CE1 4.12Å; Y755-F806 HydrophobicContact CG-CZ 4.43Å
756	P	67.6	Low	84.9	Confident	82 Å²	82	50 Å²	50	53%	0.532	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-30.1	-168	-20.4	30.2	0	0	0	114.5	S805	P756-S805 WeakPolarHBondContact CD-O 3.47Å; P756-S805 WeakPolarHBondContact CG-O 3.38Å
757	S	62.1	Low	84.8	Confident	70 Å²	70	50 Å²	50	49%	0.49	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-1.6	-164.7	55.1	0	0	0	0	114.8	Y755 Q804	Y755-S757 VanDerWaalsContact C-N 3.3Å; Y755-S757 WeakPolarHBondContact CD1-OG 3.17Å; Y755-S757 WeakPolarHBondContact CE1-OG 3.28Å; Y755-S757 PolarHBondContact O-N 3.25Å; S757-Q804 PolarHBondContact OG-OE1 3.39Å
758	K	57.4	Low	84.6	Confident	109 Å²	109	49.6 Å²	49.6	47%	0.474	26%	0.256	S	S	.	.	S	Bend	trans	-155	163.2	178.5	-69.9	-169.6	179.5	176.9	0	111.7	Y755 L760	Y755-K758 VanDerWaalsContact O-O 3.09Å; K758-L760 HydrophobicContact CB-CB 4.39Å; K758-L760 HydrophobicContact CB-CD1 3.97Å; K758-L760 HydrophobicContact CB-CG 4.24Å; K758-L760 HydrophobicContact CD-CD1 3.95Å; K758-L760 PolarHBondContact O-N 2.91Å
759	I	61.8	Low	84.4	Confident	184 Å²	184	50.4 Å²	50.4	94%	0.944	26%	0.258	S	S	*	.	S	Bend	trans	-60.8	12.3	171.9	-57.6	161.2	0	0	0	112.9	Q761	I759-Q761 PolarHBondContact O-N 3.47Å
760	L	67.3	Low	84	Confident	38 Å²	38	50.5 Å²	50.5	20%	0.199	26%	0.259	C	S	.	.			trans	-77.1	114.3	-176.3	-81.1	160.3	0	0	0	110.5	Y755 K758 S796	Y755-L760 PolarHBondContact N-O 3.45Å; K758-L760 HydrophobicContact CB-CB 4.39Å; K758-L760 HydrophobicContact CB-CD1 3.97Å; K758-L760 HydrophobicContact CB-CG 4.24Å; K758-L760 HydrophobicContact CD-CD1 3.95Å; K758-L760 PolarHBondContact O-N 2.91Å; L760-S796 VanDerWaalsContact CD2-OG 3.26Å; L760-S796 WeakPolarHBondContact CD2-OG 3.38Å
761	Q	82.4	Confident	83.4	Confident	99 Å²	99	51.3 Å²	51.3	46%	0.463	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	141.4	166.4	85.8	179.5	-3.6	0	0	109.8	F752 I753 I759	F752-Q761 HydrophobicContact CD1-CB 4.34Å; F752-Q761 HydrophobicContact CD1-CG 3.85Å; F752-Q761 HydrophobicContact CE1-CG 4.29Å; F752-Q761 VanDerWaalsContact CE1-NE2 3.31Å; I753-Q761 WeakPolarHBondContact O-CA 3.45Å; I759-Q761 PolarHBondContact O-N 3.47Å
762	F	87.3	Confident	82.7	Confident	4 Å²	4	51.9 Å²	51.9	2%	0.018	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	123.5	168.1	-57.1	-91.5	0	0	0	108.7	F732 F752 I753 V764 C787 P790 L797	F732-F762 HydrophobicContact CE2-CD1 4.15Å; F732-F762 HydrophobicContact CE2-CG 4.25Å; F732-F762 AromaticContact CZ-CD1 3.95Å; F732-F762 HydrophobicContact CZ-CD1 3.95Å; F732-F762 HydrophobicContact CZ-CD2 4.25Å; F732-F762 AromaticContact CZ-CE1 3.98Å; F732-F762 HydrophobicContact CZ-CE1 3.98Å; F732-F762 HydrophobicContact CZ-CE2 4.3Å; F732-F762 HydrophobicContact CZ-CG 4.08Å; F732-F762 HydrophobicContact CZ-CZ 4.17Å; F752-F762 CarbonylContact C-O 3.51Å; F752-F762 VanDerWaalsContact CA-O 3.27Å; F752-F762 WeakPolarHBondContact CA-O 3.48Å; I753-F762 HydrophobicContact CB-CB 4.2Å; I753-F762 HydrophobicContact CB-CD2 4.48Å; I753-F762 HydrophobicContact CD1-CB 4.44Å; I753-F762 PolarHBondContact N-O 3.24Å; I753-F762 PolarHBondContact O-N 3.41Å; F762-V764 PolarHBondContact O-N 3.43Å; F762-C787 HydrophobicContact CB-CB 4.18Å; F762-P790 HydrophobicContact CD1-CG 4.1Å; F762-P790 HydrophobicContact CE1-CG 3.77Å; F762-L797 HydrophobicContact CE1-CD2 4.46Å; F762-L797 HydrophobicContact CZ-CD2 4.28Å
763	Q	91	Very high	81.8	Confident	108 Å²	108	51.5 Å²	51.5	51%	0.505	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	117.4	177.3	-174.4	-179.9	1.9	0	0	109.9	G751 F752 C787 H788	G751-Q763 CarbonylContact O-C 3.41Å; G751-Q763 WeakPolarHBondContact O-CA 3.39Å; F752-Q763 HydrophobicContact CD1-CB 4.05Å; F752-Q763 HydrophobicContact CD1-CG 4.33Å; F752-Q763 HydrophobicContact CE1-CB 3.8Å; F752-Q763 HydrophobicContact CE1-CG 3.82Å; F752-Q763 HydrophobicContact CZ-CG 4.31Å; Q763-C787 VanDerWaalsContact O-CA 3.22Å; Q763-C787 WeakPolarHBondContact O-CA 3.01Å; Q763-C787 WeakPolarHBondContact O-CB 3.34Å; Q763-H788 PolarHBondContact O-N 3.14Å
764	V	93.1	Very high	80.6	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	123.2	173.7	-174.8	0	0	0	0	108.8	F739 T750 G751 I753 F762 T767 H785 W786	F739-V764 HydrophobicContact CD1-CB 4.48Å; F739-V764 HydrophobicContact CD1-CG1 4.06Å; F739-V764 HydrophobicContact CE1-CB 3.7Å; F739-V764 HydrophobicContact CE1-CG1 3.77Å; F739-V764 HydrophobicContact CE1-CG2 3.9Å; F739-V764 HydrophobicContact CZ-CB 4.2Å; F739-V764 HydrophobicContact CZ-CG2 3.93Å; T750-V764 WeakPolarHBondContact CA-O 3.37Å; T750-V764 WeakPolarHBondContact CB-O 3.4Å; G751-V764 PolarHBondContact N-O 2.94Å; G751-V764 PolarHBondContact O-N 3.46Å; I753-V764 HydrophobicContact CD1-CG2 3.87Å; I753-V764 HydrophobicContact CG1-CG2 3.58Å; F762-V764 PolarHBondContact O-N 3.43Å; V764-T767 HydrophobicContact CG1-CG2 4.07Å; V764-H785 HydrophobicContact CG1-CB 4.24Å; V764-H785 HydrophobicContact CG2-CB 4.41Å; V764-W786 WeakPolarHBondContact CA-O 3.4Å
765	I	90.8	Very high	79.2	Confident	72 Å²	72	55.1 Å²	55.1	37%	0.369	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	-34.5	-177.4	-18.5	155.4	0	0	0	111.2	T750 W786 H788	T750-I765 WeakPolarHBondContact CG2-O 3.31Å; I765-W786 PolarHBondContact N-O 3.19Å; I765-H788 WeakPolarHBondContact CD1-ND1 3.4Å
766	E	91.3	Very high	77.7	Confident	68 Å²	68	57.6 Å²	57.6	32%	0.318	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	155.3	179.1	-179.7	170.6	-168.5	0	0	109.4	A748 W786	A748-E766 HydrophobicContact CB-CG 4.34Å; E766-W786 WeakPolarHBondContact O-CB 3.12Å; E766-W786 PolarHBondContact O-N 3.06Å
767	T	93.4	Very high	77	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.006	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	148	167.5	52.6	0	0	0	0	110.5	F739 F740 T741 A748 V764 I783 I784 H785	F739-T767 HydrophobicContact CB-CG2 3.86Å; F739-T767 HydrophobicContact CD1-CG2 4Å; F739-T767 HydrophobicContact CG-CG2 4.26Å; F740-T767 PolarHBondContact O-OG1 2.88Å; T741-T767 VanDerWaalsContact CA-OG1 3.24Å; T741-T767 WeakPolarHBondContact CA-OG1 3.34Å; T741-T767 PolarHBondContact OG1-OG1 3.41Å; A748-T767 WeakPolarHBondContact CB-OG1 3.42Å; V764-T767 HydrophobicContact CG1-CG2 4.07Å; T767-I783 HydrophobicContact CG2-CG2 4.3Å; T767-I784 CarbonylContact C-O 3.55Å; T767-I784 WeakPolarHBondContact CA-O 3.46Å; T767-H785 HydrophobicContact CG2-CB 4.47Å
768	T	90.7	Very high	76.9	Confident	30 Å²	30	53.7 Å²	53.7	18%	0.184	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	134.9	179.5	-56.5	0	0	0	0	110.6	I783 I784 W786	T768-I783 WeakPolarHBondContact O-CA 3.46Å; T768-I784 PolarHBondContact N-O 2.83Å; T768-I784 PolarHBondContact O-N 2.88Å; T768-W786 PolarHBondContact OG1-NE1 3.32Å
769	F	89.9	Confident	77.3	Confident	25 Å²	25	51.3 Å²	51.3	11%	0.11	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	129.1	175.7	176.3	-86.9	0	0	0	109.1	T741 R743 P771 S778 W782 I783	T741-F769 HydrophobicContact CG2-CB 3.86Å; T741-F769 VanDerWaalsContact CG2-N 3.31Å; R743-F769 VanDerWaalsContact CZ-CE1 3.49Å; R743-F769 VanDerWaalsContact CZ-CG 3.46Å; F769-P771 VanDerWaalsContact CE1-CA 3.48Å; F769-P771 HydrophobicContact CE1-CB 3.76Å; F769-P771 HydrophobicContact CE1-CG 4.39Å; F769-S778 WeakPolarHBondContact CE1-O 3.17Å; F769-S778 VanDerWaalsContact CZ-O 3.22Å; F769-S778 WeakPolarHBondContact CZ-O 3.35Å; F769-W782 WeakPolarHBondContact CA-O 3.13Å; F769-I783 HydrophobicContact CB-CD1 4Å; F769-I783 HydrophobicContact CD2-CD1 3.6Å; F769-I783 HydrophobicContact CG-CD1 4.27Å
770	V	88.6	Confident	78.2	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.012	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	110.7	175.5	179.4	0	0	0	0	108.3	G781 W782 I784	V770-G781 CarbonylContact O-C 3.55Å; V770-G781 WeakPolarHBondContact O-CA 3.37Å; V770-W782 HydrophobicContact CG1-CE3 4.27Å; V770-W782 PolarHBondContact N-O 3.13Å; V770-W782 PolarHBondContact O-N 3.1Å; V770-I784 HydrophobicContact CG2-CD1 3.54Å; V770-I784 HydrophobicContact CG2-CG1 4.05Å
771	P	83.9	Confident	79.3	Confident	45 Å²	45	44.7 Å²	44.7	29%	0.292	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	149.4	179.5	23	-29.2	0	0	0	111.9	S642 F769	S642-P771 WeakPolarHBondContact CB-O 3.47Å; S642-P771 PolarHBondContact OG-O 3.03Å; F769-P771 VanDerWaalsContact CE1-CA 3.48Å; F769-P771 HydrophobicContact CE1-CB 3.76Å; F769-P771 HydrophobicContact CE1-CG 4.39Å
772	D	81.8	Confident	79.8	Confident	15 Å²	15	40 Å²	40	8%	0.08	23%	0.228	C	C	.	.			trans	-56.6	128.1	163.2	170.7	7.8	0	0	0	110.3	H646 F652 T774 S775 N780	H646-D772 IonicContact CD2-OD1 2.93Å; F652-D772 HydrophobicContact CE1-CB 3.8Å; F652-D772 HydrophobicContact CZ-CB 3.84Å; F652-D772 WeakPolarHBondContact CZ-OD2 3.33Å; D772-T774 VanDerWaalsContact CG-OG1 3.3Å; D772-T774 PolarHBondContact O-N 3.34Å; D772-T774 PolarHBondContact OD1-N 3Å; D772-T774 PolarHBondContact OD1-OG1 2.97Å; D772-T774 PolarHBondContact OD2-OG1 3.03Å; D772-T774 VanDerWaalsContact OD2-OG1 3.11Å; D772-S775 PolarHBondContact O-N 3.02Å; D772-S775 WeakPolarHBondContact OD2-CB 3.28Å; D772-N780 WeakPolarHBondContact CB-O 3.37Å; D772-N780 PolarHBondContact N-O 3.25Å
773	P	74	Confident	80.2	Confident	58 Å²	58	40 Å²	40	38%	0.377	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-13.1	-176.9	28.6	-30.2	0	0	0	113.3	S642 R643 H646	S642-P773 VanDerWaalsContact OG-CB 3.31Å; S642-P773 WeakPolarHBondContact OG-CB 3.38Å; S642-P773 WeakPolarHBondContact OG-CD 3.24Å; S642-P773 WeakPolarHBondContact OG-CG 3.37Å; R643-P773 HydrophobicContact CG-CB 4.16Å; R643-P773 HydrophobicContact CG-CG 4.33Å; H646-P773 HydrophobicContact CB-CG 3.75Å
774	T	68.3	Low	80.3	Confident	91 Å²	91	34.9 Å²	34.9	56%	0.558	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-16.2	-179.8	69.2	0	0	0	0	113.2	H646 D772	H646-T774 VanDerWaalsContact NE2-CG2 3.35Å; H646-T774 WeakPolarHBondContact NE2-CG2 3.09Å; D772-T774 VanDerWaalsContact CG-OG1 3.3Å; D772-T774 PolarHBondContact O-N 3.34Å; D772-T774 PolarHBondContact OD1-N 3Å; D772-T774 PolarHBondContact OD1-OG1 2.97Å; D772-T774 PolarHBondContact OD2-OG1 3.03Å; D772-T774 VanDerWaalsContact OD2-OG1 3.11Å
775	S	60.6	Low	80.4	Confident	35 Å²	35	34.9 Å²	34.9	25%	0.245	20%	0.204	C	C	.	.			trans	-90.4	123.3	-177.1	176.1	0	0	0	0	111.2	D772 S777	D772-S775 PolarHBondContact O-N 3.02Å; D772-S775 WeakPolarHBondContact OD2-CB 3.28Å; S775-S777 PolarHBondContact O-N 3.16Å; S775-S777 WeakPolarHBondContact OG-CA 3.39Å; S775-S777 WeakPolarHBondContact OG-CB 3.41Å; S775-S777 PolarHBondContact OG-N 3.48Å; S775-S777 PolarHBondContact OG-O 3.18Å
776	N	49	Very low	80.4	Confident	73 Å²	73	33 Å²	33	39%	0.39	19%	0.192	S	C	.	.	S	Bend	trans	-71.9	-10.5	165	-84	20.9	0	0	0	112.8	Q125	Q125-N776 VanDerWaalsContact CB-ND2 3.33Å; Q125-N776 WeakPolarHBondContact CB-ND2 3.45Å; Q125-N776 PolarHBondContact NE2-OD1 3.19Å; Q125-N776 PolarHBondContact OE1-ND2 3.46Å
777	S	51.4	Low	80.3	Confident	36 Å²	36	29.7 Å²	29.7	25%	0.252	18%	0.177	S	C	.	.	S	Bend	trans	-97.2	117.5	177.1	176.6	0	0	0	0	109.3	S775 T779	S775-S777 PolarHBondContact O-N 3.16Å; S775-S777 WeakPolarHBondContact OG-CA 3.39Å; S775-S777 WeakPolarHBondContact OG-CB 3.41Å; S775-S777 PolarHBondContact OG-N 3.48Å; S775-S777 PolarHBondContact OG-O 3.18Å; S777-T779 PolarHBondContact O-N 3.23Å; S777-T779 PolarHBondContact OG-OG1 2.93Å
778	S	60.3	Low	79.5	Confident	35 Å²	35	34.7 Å²	34.7	25%	0.245	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	18.4	-179	54.2	0	0	0	0	115.1	R743 F769	R743-S778 PolarHBondContact NH1-O 3.37Å; R743-S778 PolarHBondContact NH2-O 3.32Å; F769-S778 WeakPolarHBondContact CE1-O 3.17Å; F769-S778 VanDerWaalsContact CZ-O 3.22Å; F769-S778 WeakPolarHBondContact CZ-O 3.35Å
779	T	66.5	Low	78.6	Confident	59 Å²	59	35.1 Å²	35.1	36%	0.362	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-42.6	-178.7	47.8	0	0	0	0	114.6	S777 S922	S777-T779 PolarHBondContact O-N 3.23Å; S777-T779 PolarHBondContact OG-OG1 2.93Å; T779-S922 WeakPolarHBondContact CG2-OG 3.08Å
780	N	81	Confident	77.6	Confident	79 Å²	79	35.5 Å²	35.5	42%	0.422	20%	0.204	S	C	.	.	S	Bend	trans	-89.3	132.9	-175.7	-70	-1.7	0	0	0	109.2	F652 D772	F652-N780 HydrophobicContact CD2-CB 3.96Å; F652-N780 HydrophobicContact CE2-CB 3.94Å; F652-N780 HydrophobicContact CG-CB 4.4Å; F652-N780 HydrophobicContact CZ-CB 4.36Å; D772-N780 WeakPolarHBondContact CB-O 3.37Å; D772-N780 PolarHBondContact N-O 3.25Å
781	G	90	Very high	76.5	Confident	3 Å²	3	43.3 Å²	43.3	3%	0.031	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.3	-166.3	-175.3	0	0	0	0	0	112.6	F652 T653 V770	F652-G781 WeakPolarHBondContact CA-O 3.4Å; F652-G781 WeakPolarHBondContact CB-O 3.2Å; T653-G781 PolarHBondContact N-O 3.33Å; V770-G781 CarbonylContact O-C 3.55Å; V770-G781 WeakPolarHBondContact O-CA 3.37Å
782	W	93.5	Very high	75.6	Confident	1 Å²	1	46.5 Å²	46.5	0%	0.004	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	144.2	-178.4	-58.5	-88.4	0	0	0	110.5	L645 H646 V650 P651 F652 I733 F769 V770	L645-W782 HydrophobicContact CB-CD2 3.96Å; L645-W782 HydrophobicContact CB-CE3 4.13Å; L645-W782 HydrophobicContact CB-CH2 3.84Å; L645-W782 HydrophobicContact CB-CZ2 3.66Å; L645-W782 HydrophobicContact CB-CZ3 4.07Å; L645-W782 HydrophobicContact CD1-CB 4.02Å; L645-W782 HydrophobicContact CD1-CD2 3.59Å; L645-W782 HydrophobicContact CD1-CE3 3.8Å; L645-W782 HydrophobicContact CD1-CG 3.69Å; L645-W782 HydrophobicContact CD1-CZ3 4.49Å; L645-W782 HydrophobicContact CG-CD2 4.36Å; H646-W782 HydrophobicContact CB-CH2 4.1Å; V650-W782 WeakPolarHBondContact O-CZ2 3.44Å; V650-W782 PolarHBondContact O-NE1 2.96Å; V650-W782 VanDerWaalsContact O-NE1 3.12Å; P651-W782 PolarHBondContact O-NE1 3.49Å; F652-W782 HydrophobicContact CD1-CD2 4.21Å; F652-W782 AromaticContact CD1-CE2 3.7Å; F652-W782 HydrophobicContact CD1-CH2 4.06Å; F652-W782 AromaticContact CD1-CZ2 3.63Å; F652-W782 HydrophobicContact CD1-CZ2 3.63Å; F652-W782 HydrophobicContact CD1-CZ3 4.49Å; F652-W782 AromaticContact CE1-CH2 3.57Å; F652-W782 HydrophobicContact CE1-CH2 3.57Å; F652-W782 AromaticContact CE1-CZ2 3.49Å; F652-W782 HydrophobicContact CE1-CZ2 3.49Å; F652-W782 VanDerWaalsContact CE1-CZ2 3.49Å; F652-W782 HydrophobicContact CE1-CZ3 4.18Å; I733-W782 HydrophobicContact CG2-CB 4.17Å; I733-W782 HydrophobicContact CG2-CG 4.48Å; F769-W782 WeakPolarHBondContact CA-O 3.13Å; V770-W782 HydrophobicContact CG1-CE3 4.27Å; V770-W782 PolarHBondContact N-O 3.13Å; V770-W782 PolarHBondContact O-N 3.1Å
783	I	94.1	Very high	74.7	Confident	3 Å²	3	46.2 Å²	46.2	2%	0.015	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	118.5	169.9	-54.2	-54.8	0	0	0	109	T653 D655 T737 T767 T768 F769 H785	T653-I783 HydrophobicContact CG2-CB 4Å; T653-I783 HydrophobicContact CG2-CG1 3.84Å; T653-I783 PolarHBondContact OG1-N 2.81Å; T653-I783 VanDerWaalsContact OG1-N 3.17Å; D655-I783 HydrophobicContact CB-CG1 4.18Å; T737-I783 HydrophobicContact CG2-CB 4.15Å; T737-I783 HydrophobicContact CG2-CG1 4.01Å; T737-I783 HydrophobicContact CG2-CG2 4.26Å; T767-I783 HydrophobicContact CG2-CG2 4.3Å; T768-I783 WeakPolarHBondContact O-CA 3.46Å; F769-I783 HydrophobicContact CB-CD1 4Å; F769-I783 HydrophobicContact CD2-CD1 3.6Å; F769-I783 HydrophobicContact CG-CD1 4.27Å; I783-H785 PolarHBondContact O-CE1 2.89Å; I783-H785 PolarHBondContact O-ND1 2.87Å
784	I	94.1	Very high	73.9	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	126.4	171.5	-53.7	176.2	0	0	0	108.5	I641 L688 I733 T767 T768 V770 W786	I641-I784 HydrophobicContact CD1-CD1 4.08Å; I641-I784 HydrophobicContact CG2-CD1 4.37Å; L688-I784 HydrophobicContact CD1-CD1 4.22Å; I733-I784 HydrophobicContact CD1-CG1 4.23Å; I733-I784 HydrophobicContact CG1-CG1 4.04Å; T767-I784 CarbonylContact C-O 3.55Å; T767-I784 WeakPolarHBondContact CA-O 3.46Å; T768-I784 PolarHBondContact N-O 2.83Å; T768-I784 PolarHBondContact O-N 2.88Å; V770-I784 HydrophobicContact CG2-CD1 3.54Å; V770-I784 HydrophobicContact CG2-CG1 4.05Å; I784-W786 HydrophobicContact CB-CZ2 4.35Å; I784-W786 HydrophobicContact CD1-CZ2 4.12Å; I784-W786 HydrophobicContact CG2-CD2 3.88Å; I784-W786 HydrophobicContact CG2-CE3 4.2Å; I784-W786 HydrophobicContact CG2-CG 4.48Å; I784-W786 HydrophobicContact CG2-CH2 3.99Å; I784-W786 HydrophobicContact CG2-CZ2 3.65Å; I784-W786 HydrophobicContact CG2-CZ3 4.25Å
785	H	95.1	Very high	73.2	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	104	176.8	-51.7	72.6	0	0	0	108.6	G731 F732 F734 T737 I753 V764 T767 I783	G731-H785 WeakPolarHBondContact CA-O 3.39Å; F732-H785 HydrophobicContact CB-CB 4.34Å; F732-H785 PolarHBondContact N-O 3.48Å; F732-H785 PolarHBondContact O-N 3.2Å; F732-H785 PolarHBondContact O-ND1 2.88Å; F734-H785 AromaticContact CD2-CE1 3.7Å; F734-H785 AromaticContact CD2-ND1 3.6Å; T737-H785 WeakPolarHBondContact CB-NE2 3.36Å; T737-H785 PolarHBondContact OG1-NE2 3.39Å; I753-H785 HydrophobicContact CD1-CB 4.3Å; V764-H785 HydrophobicContact CG1-CB 4.24Å; V764-H785 HydrophobicContact CG2-CB 4.41Å; T767-H785 HydrophobicContact CG2-CB 4.47Å; I783-H785 PolarHBondContact O-CE1 2.89Å; I783-H785 PolarHBondContact O-ND1 2.87Å
786	W	91.7	Very high	73.2	Confident	31 Å²	31	46.2 Å²	46.2	12%	0.117	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	123.8	-178.6	-63	110.8	0	0	0	110.3	L688 I690 L730 V764 I765 E766 T768 I784	L688-W786 HydrophobicContact CD2-CH2 4.33Å; I690-W786 HydrophobicContact CD1-CE3 4.27Å; I690-W786 HydrophobicContact CD1-CH2 3.78Å; I690-W786 HydrophobicContact CD1-CZ3 3.49Å; I690-W786 VanDerWaalsContact CD1-CZ3 3.49Å; I690-W786 HydrophobicContact CG1-CH2 4.31Å; I690-W786 HydrophobicContact CG1-CZ3 4Å; L730-W786 CarbonylContact O-C 3.58Å; L730-W786 WeakPolarHBondContact O-CA 3.2Å; V764-W786 WeakPolarHBondContact CA-O 3.4Å; I765-W786 PolarHBondContact N-O 3.19Å; E766-W786 WeakPolarHBondContact O-CB 3.12Å; E766-W786 PolarHBondContact O-N 3.06Å; T768-W786 PolarHBondContact OG1-NE1 3.32Å; I784-W786 HydrophobicContact CB-CZ2 4.35Å; I784-W786 HydrophobicContact CD1-CZ2 4.12Å; I784-W786 HydrophobicContact CG2-CD2 3.88Å; I784-W786 HydrophobicContact CG2-CE3 4.2Å; I784-W786 HydrophobicContact CG2-CG 4.48Å; I784-W786 HydrophobicContact CG2-CH2 3.99Å; I784-W786 HydrophobicContact CG2-CZ2 3.65Å; I784-W786 HydrophobicContact CG2-CZ3 4.25Å
787	C	88.5	Confident	74	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	147.9	-176.8	-57	0	0	0	0	110.6	S729 L730 F732 I753 F762 Q763	S729-C787 WeakPolarHBondContact CA-O 3.22Å; L730-C787 PolarHBondContact N-O 3.27Å; L730-C787 PolarHBondContact O-N 3.38Å; F732-C787 HydrophobicContact CD2-CB 4.35Å; F732-C787 HydrophobicContact CE2-CB 4.15Å; I753-C787 VanDerWaalsContact CD1-SG 3.57Å; F762-C787 HydrophobicContact CB-CB 4.18Å; Q763-C787 VanDerWaalsContact O-CA 3.22Å; Q763-C787 WeakPolarHBondContact O-CA 3.01Å; Q763-C787 WeakPolarHBondContact O-CB 3.34Å
788	H	77.6	Confident	74.5	Confident	105 Å²	105	44 Å²	44	49%	0.486	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	140	166.1	-100.1	78.9	0	0	0	109.5	Q763 I765 P790	Q763-H788 PolarHBondContact O-N 3.14Å; I765-H788 WeakPolarHBondContact CD1-ND1 3.4Å; H788-P790 VanDerWaalsContact O-CD 3.23Å; H788-P790 WeakPolarHBondContact O-CD 3.36Å
789	K	70.5	Confident	74.6	Confident	39 Å²	39	48.1 Å²	48.1	17%	0.17	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-64.6	119.7	171.3	-157.5	-175.4	-171.5	171.6	0	108.9	L717 S721 N728 L730 L793	L717-K789 PolarHBondContact O-NZ 3.4Å; S721-K789 VanDerWaalsContact CB-NZ 3.31Å; S721-K789 PolarHBondContact OG-NZ 2.8Å; N728-K789 HydrophobicContact CB-CB 4.24Å; N728-K789 WeakPolarHBondContact O-CB 3.45Å; N728-K789 PolarHBondContact O-N 3.18Å; N728-K789 VanDerWaalsContact O-N 3.14Å; L730-K789 HydrophobicContact CD1-CG 4.14Å; K789-L793 HydrophobicContact CD-CD2 4.29Å; K789-L793 HydrophobicContact CG-CB 4.37Å; K789-L793 HydrophobicContact CG-CD1 3.52Å; K789-L793 HydrophobicContact CG-CD2 4.14Å; K789-L793 HydrophobicContact CG-CG 4.17Å
790	P	69.2	Low	74.8	Confident	34 Å²	34	46.6 Å²	46.6	22%	0.221	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-68.9	145.4	171.6	23.9	-32.3	0	0	0	111.2	F762 H788 N792 L793	F762-P790 HydrophobicContact CD1-CG 4.1Å; F762-P790 HydrophobicContact CE1-CG 3.77Å; H788-P790 VanDerWaalsContact O-CD 3.23Å; H788-P790 WeakPolarHBondContact O-CD 3.36Å; P790-N792 PolarHBondContact O-N 3.08Å; P790-N792 VanDerWaalsContact O-N 3.11Å; P790-L793 HydrophobicContact CG-CD1 3.78Å; P790-L793 PolarHBondContact O-N 2.85Å; P790-L793 VanDerWaalsContact O-N 3.12Å
791	D	65.1	Low	74.6	Confident	166 Å²	166	46.4 Å²	46.4	89%	0.888	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-35.1	-176.7	-63.5	-30.8	0	0	0	113	L793	D791-L793 PolarHBondContact O-N 2.67Å
792	N	64.7	Low	74.2	Confident	112 Å²	112	47 Å²	47	60%	0.599	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.5	50.7	178.2	-73.2	-41.7	0	0	0	112.5	P790 F794 L795 S796	P790-N792 PolarHBondContact O-N 3.08Å; P790-N792 VanDerWaalsContact O-N 3.11Å; N792-F794 VanDerWaalsContact C-N 3.32Å; N792-F794 PolarHBondContact O-N 3.15Å; N792-L795 HydrophobicContact CB-CB 4.48Å; N792-L795 PolarHBondContact O-N 2.85Å; N792-S796 WeakPolarHBondContact O-CB 3.27Å; N792-S796 PolarHBondContact O-N 2.8Å; N792-S796 VanDerWaalsContact O-N 3.15Å; N792-S796 PolarHBondContact O-OG 2.83Å
793	L	63.6	Low	73.7	Confident	9 Å²	9	50.9 Å²	50.9	5%	0.047	26%	0.263	C	S	.	.	H	α-helix	trans	-53.4	-45.5	-174	-162.3	78.9	0	0	0	113.5	C718 L730 K789 P790 D791 L795 S796 L797	C718-L793 VanDerWaalsContact SG-CD2 3.54Å; L730-L793 HydrophobicContact CD1-CD1 3.31Å; L730-L793 HydrophobicContact CD1-CD2 4.21Å; L730-L793 HydrophobicContact CD1-CG 4.3Å; K789-L793 HydrophobicContact CD-CD2 4.29Å; K789-L793 HydrophobicContact CG-CB 4.37Å; K789-L793 HydrophobicContact CG-CD1 3.52Å; K789-L793 HydrophobicContact CG-CD2 4.14Å; K789-L793 HydrophobicContact CG-CG 4.17Å; P790-L793 HydrophobicContact CG-CD1 3.78Å; P790-L793 PolarHBondContact O-N 2.85Å; P790-L793 VanDerWaalsContact O-N 3.12Å; D791-L793 PolarHBondContact O-N 2.67Å; L793-L795 PolarHBondContact O-N 3.18Å; L793-S796 WeakPolarHBondContact O-CA 3.48Å; L793-S796 WeakPolarHBondContact O-CB 3.34Å; L793-S796 PolarHBondContact O-N 3.45Å; L793-L797 HydrophobicContact CD1-CD1 3.86Å; L793-L797 HydrophobicContact CD1-CG 4.35Å; L793-L797 HydrophobicContact CD2-CD1 3.7Å; L793-L797 HydrophobicContact CG-CD1 3.58Å; L793-L797 HydrophobicContact CG-CG 4.2Å; L793-L797 PolarHBondContact O-N 2.97Å
794	F	57.2	Low	73.3	Confident	48 Å²	48	53.7 Å²	53.7	21%	0.211	28%	0.276	C	S	.	.	H	α-helix	trans	-63.5	-45.3	-173.6	-158.4	-104.5	0	0	0	112.2	T711 I714 Q715 C718 N792 S796 N798	T711-F794 HydrophobicContact CG2-CZ 3.99Å; I714-F794 HydrophobicContact CB-CE2 4.42Å; I714-F794 HydrophobicContact CG2-CD2 3.79Å; I714-F794 HydrophobicContact CG2-CE2 3.93Å; Q715-F794 HydrophobicContact CB-CD2 4.22Å; Q715-F794 HydrophobicContact CB-CE2 3.43Å; Q715-F794 VanDerWaalsContact CB-CE2 3.43Å; Q715-F794 HydrophobicContact CB-CZ 3.99Å; Q715-F794 HydrophobicContact CG-CE2 3.96Å; Q715-F794 HydrophobicContact CG-CZ 4.25Å; C718-F794 HydrophobicContact CB-CD2 4.29Å; N792-F794 VanDerWaalsContact C-N 3.32Å; N792-F794 PolarHBondContact O-N 3.15Å; F794-S796 PolarHBondContact O-N 3Å; F794-N798 WeakPolarHBondContact CE1-ND2 3.41Å; F794-N798 WeakPolarHBondContact CZ-ND2 3.5Å; F794-N798 WeakPolarHBondContact CZ-OD1 3.49Å; F794-N798 VanDerWaalsContact O-CB 3.29Å; F794-N798 WeakPolarHBondContact O-CB 3.46Å; F794-N798 PolarHBondContact O-N 3.43Å; F794-N798 VanDerWaalsContact O-N 3.11Å
795	L	53.6	Low	73	Confident	124 Å²	124	55.6 Å²	55.6	65%	0.649	29%	0.29	S	S	*	.	H	α-helix	trans	-63.2	-26.5	172.9	-90.5	155.7	0	0	0	113.1	N792 L793	N792-L795 HydrophobicContact CB-CB 4.48Å; N792-L795 PolarHBondContact O-N 2.85Å; L793-L795 PolarHBondContact O-N 3.18Å
796	S	60	Low	72.9	Confident	12 Å²	12	55.6 Å²	55.6	8%	0.084	29%	0.29	C	S	.	.	H	α-helix	trans	-82.7	-36.9	-175.6	-54.1	0	0	0	0	112.7	L760 N792 L793 F794	L760-S796 VanDerWaalsContact CD2-OG 3.26Å; L760-S796 WeakPolarHBondContact CD2-OG 3.38Å; N792-S796 WeakPolarHBondContact O-CB 3.27Å; N792-S796 PolarHBondContact O-N 2.8Å; N792-S796 VanDerWaalsContact O-N 3.15Å; N792-S796 PolarHBondContact O-OG 2.83Å; L793-S796 WeakPolarHBondContact O-CA 3.48Å; L793-S796 WeakPolarHBondContact O-CB 3.34Å; L793-S796 PolarHBondContact O-N 3.45Å; F794-S796 PolarHBondContact O-N 3Å
797	L	65.8	Low	73	Confident	4 Å²	4	55.6 Å²	55.6	2%	0.021	29%	0.293	C	S	.	.	H	α-helix	trans	-102.9	-14.1	-174.5	-57.5	172.7	0	0	0	113.9	L687 I714 L730 F762 L793 N799 L800	L687-L797 HydrophobicContact CD2-CD1 4.38Å; L687-L797 HydrophobicContact CD2-CD2 4.3Å; I714-L797 HydrophobicContact CD1-CB 3.71Å; I714-L797 HydrophobicContact CG1-CB 4.29Å; I714-L797 HydrophobicContact CG1-CD1 4.35Å; I714-L797 HydrophobicContact CG2-CB 3.92Å; I714-L797 HydrophobicContact CG2-CD1 4.08Å; L730-L797 HydrophobicContact CD1-CD1 4.39Å; L730-L797 HydrophobicContact CD2-CD1 4.41Å; F762-L797 HydrophobicContact CE1-CD2 4.46Å; F762-L797 HydrophobicContact CZ-CD2 4.28Å; L793-L797 HydrophobicContact CD1-CD1 3.86Å; L793-L797 HydrophobicContact CD1-CG 4.35Å; L793-L797 HydrophobicContact CD2-CD1 3.7Å; L793-L797 HydrophobicContact CG-CD1 3.58Å; L793-L797 HydrophobicContact CG-CG 4.2Å; L793-L797 PolarHBondContact O-N 2.97Å; L797-N799 PolarHBondContact O-N 3.4Å; L797-L800 HydrophobicContact CB-CD1 4.32Å; L797-L800 HydrophobicContact CD2-CD1 3.41Å; L797-L800 VanDerWaalsContact CD2-CD1 3.41Å; L797-L800 HydrophobicContact CG-CD1 4.44Å; L797-L800 WeakPolarHBondContact O-CB 3.47Å; L797-L800 PolarHBondContact O-N 2.83Å
798	N	62.3	Low	73.4	Confident	59 Å²	59	55.6 Å²	55.6	32%	0.316	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-18.2	-175.1	-109.9	8.6	0	0	0	115.9	T711 F794	T711-N798 WeakPolarHBondContact CG2-OD1 3.49Å; F794-N798 WeakPolarHBondContact CE1-ND2 3.41Å; F794-N798 WeakPolarHBondContact CZ-ND2 3.5Å; F794-N798 WeakPolarHBondContact CZ-OD1 3.49Å; F794-N798 VanDerWaalsContact O-CB 3.29Å; F794-N798 WeakPolarHBondContact O-CB 3.46Å; F794-N798 PolarHBondContact O-N 3.43Å; F794-N798 VanDerWaalsContact O-N 3.11Å
799	N	62.8	Low	74.2	Confident	121 Å²	121	56 Å²	56	65%	0.647	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.1	22.2	177.3	-70	-5.4	0	0	0	112.3	Y755 L797 N801	Y755-N799 PolarHBondContact OH-O 3.08Å; L797-N799 PolarHBondContact O-N 3.4Å; N799-N801 PolarHBondContact O-N 3.1Å
800	L	70.3	Confident	75.4	Confident	27 Å²	27	54.9 Å²	54.9	14%	0.141	29%	0.286	C	S	.	.			trans	-63.5	114.3	-177.8	-137.8	99.4	0	0	0	110.4	L684 L687 L797	L684-L800 HydrophobicContact CD2-CD2 3.28Å; L684-L800 HydrophobicContact CD2-CG 4.48Å; L687-L800 HydrophobicContact CD2-CD2 4.47Å; L797-L800 HydrophobicContact CB-CD1 4.32Å; L797-L800 HydrophobicContact CD2-CD1 3.41Å; L797-L800 VanDerWaalsContact CD2-CD1 3.41Å; L797-L800 HydrophobicContact CG-CD1 4.44Å; L797-L800 WeakPolarHBondContact O-CB 3.47Å; L797-L800 PolarHBondContact O-N 2.83Å
801	N	76.8	Confident	76.7	Confident	74 Å²	74	56.3 Å²	56.3	40%	0.396	29%	0.292	S	S	.	.			trans	-105.8	116.8	174.8	-173.2	-12.1	0	0	0	110	Y755 N799 D803 Q804	Y755-N801 PolarHBondContact OH-N 3.4Å; N799-N801 PolarHBondContact O-N 3.1Å; N801-D803 PolarHBondContact O-N 3.48Å; N801-D803 WeakPolarHBondContact OD1-CB 3.47Å; N801-D803 PolarHBondContact OD1-N 3.21Å; N801-Q804 HydrophobicContact CB-CB 4.42Å; N801-Q804 HydrophobicContact CB-CG 4.4Å; N801-Q804 PolarHBondContact O-N 3.37Å
802	F	82.5	Confident	78.1	Confident	16 Å²	16	51.1 Å²	51.1	7%	0.07	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-20.9	176.8	-76.5	-96.6	0	0	0	113.2	L684 I700 K702	L684-F802 HydrophobicContact CB-CD1 4.19Å; L684-F802 HydrophobicContact CD2-CD1 3.95Å; L684-F802 HydrophobicContact CD2-CE1 3.79Å; L684-F802 HydrophobicContact CD2-CZ 4.23Å; L684-F802 HydrophobicContact CG-CD1 4.03Å; L684-F802 HydrophobicContact CG-CE1 4.03Å; L684-F802 WeakPolarHBondContact O-CD1 3.41Å; I700-F802 HydrophobicContact CG2-CE2 4.23Å; I700-F802 HydrophobicContact CG2-CZ 3.96Å; K702-F802 HydrophobicContact CB-CB 4.25Å; K702-F802 HydrophobicContact CB-CD1 4.29Å; K702-F802 HydrophobicContact CB-CG 4.24Å; K702-F802 HydrophobicContact CD-CB 4.37Å; K702-F802 HydrophobicContact CG-CB 4.26Å
803	D	82.1	Confident	79.5	Confident	82 Å²	82	51.3 Å²	51.3	44%	0.439	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-9.8	178.7	-74.2	-44.8	0	0	0	114.5	K702 N801	K702-D803 WeakPolarHBondContact CE-OD2 3.23Å; K702-D803 IonicContact NZ-OD1 3.41Å; K702-D803 PolarHBondContact NZ-OD1 3.25Å; K702-D803 IonicContact NZ-OD2 3.98Å; K702-D803 PolarHBondContact NZ-OD2 3.12Å; N801-D803 PolarHBondContact O-N 3.48Å; N801-D803 WeakPolarHBondContact OD1-CB 3.47Å; N801-D803 PolarHBondContact OD1-N 3.21Å
804	Q	84.9	Confident	81	Confident	62 Å²	62	53.7 Å²	53.7	29%	0.29	27%	0.267	S	S	.	.	S	Bend	trans	-74.1	144.5	173.5	-94	-166.8	-1.6	0	0	111.6	Y755 S757 N801 F806	Y755-Q804 HydrophobicContact CE2-CB 3.94Å; Y755-Q804 PolarHBondContact OH-OE1 2.89Å; S757-Q804 PolarHBondContact OG-OE1 3.39Å; N801-Q804 HydrophobicContact CB-CB 4.42Å; N801-Q804 HydrophobicContact CB-CG 4.4Å; N801-Q804 PolarHBondContact O-N 3.37Å; Q804-F806 WeakPolarHBondContact O-CD2 3.46Å
805	S	89.6	Confident	82.8	Confident	42 Å²	42	51.6 Å²	51.6	29%	0.294	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	140.8	172	-141.7	0	0	0	0	109.6	T682 P756	T682-S805 CarbonylContact O-C 3.48Å; T682-S805 WeakPolarHBondContact O-CA 3.24Å; P756-S805 WeakPolarHBondContact CD-O 3.47Å; P756-S805 WeakPolarHBondContact CG-O 3.38Å
806	F	92.3	Very high	84.8	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	151.2	171.2	-75.1	-107.1	0	0	0	108.3	E681 T682 L684 F734 I753 Y755 Q804	E681-F806 WeakPolarHBondContact CA-O 3.46Å; T682-F806 HydrophobicContact CG2-CB 4.33Å; T682-F806 PolarHBondContact N-O 3.29Å; T682-F806 PolarHBondContact O-N 2.81Å; L684-F806 HydrophobicContact CB-CD2 4.35Å; L684-F806 HydrophobicContact CB-CE2 3.91Å; L684-F806 HydrophobicContact CB-CZ 4.49Å; F734-F806 HydrophobicContact CE1-CB 3.86Å; F734-F806 HydrophobicContact CE1-CD1 4.11Å; F734-F806 HydrophobicContact CE1-CD2 4.08Å; F734-F806 AromaticContact CE1-CG 3.77Å; F734-F806 HydrophobicContact CE1-CG 3.77Å; F734-F806 HydrophobicContact CZ-CD1 4.36Å; F734-F806 HydrophobicContact CZ-CG 4.43Å; I753-F806 HydrophobicContact CG2-CB 4.46Å; I753-F806 HydrophobicContact CG2-CD1 3.71Å; I753-F806 HydrophobicContact CG2-CE1 4.46Å; Y755-F806 AromaticContact CD2-CD1 3.74Å; Y755-F806 HydrophobicContact CD2-CD1 3.74Å; Y755-F806 HydrophobicContact CD2-CD2 4.28Å; Y755-F806 AromaticContact CD2-CE1 3.23Å; Y755-F806 HydrophobicContact CD2-CE1 3.23Å; Y755-F806 AromaticContact CD2-CE2 3.81Å; Y755-F806 HydrophobicContact CD2-CE2 3.81Å; Y755-F806 HydrophobicContact CD2-CG 4.26Å; Y755-F806 AromaticContact CD2-CZ 3.27Å; Y755-F806 HydrophobicContact CD2-CZ 3.27Å; Y755-F806 HydrophobicContact CE2-CD2 4.41Å; Y755-F806 AromaticContact CE2-CE1 3.82Å; Y755-F806 HydrophobicContact CE2-CE1 3.82Å; Y755-F806 AromaticContact CE2-CE2 3.64Å; Y755-F806 HydrophobicContact CE2-CE2 3.64Å; Y755-F806 AromaticContact CE2-CZ 3.31Å; Y755-F806 HydrophobicContact CE2-CZ 3.31Å; Y755-F806 HydrophobicContact CG-CE1 4.12Å; Y755-F806 HydrophobicContact CG-CZ 4.43Å; Q804-F806 WeakPolarHBondContact O-CD2 3.46Å
807	V	94.4	Very high	86.5	Confident	31 Å²	31	49 Å²	49	19%	0.188	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	118.3	175.6	-175.7	0	0	0	0	109.5	D679 E681 H754 R809	D679-V807 HydrophobicContact CB-CG1 3.79Å; E681-V807 HydrophobicContact CG-CG2 3.98Å; H754-V807 HydrophobicContact CB-CB 4.26Å; H754-V807 PolarHBondContact N-O 3.24Å; H754-V807 PolarHBondContact O-N 3.49Å; V807-R809 HydrophobicContact CG1-CG 4.39Å
808	L	96.1	Very high	87.9	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	118	177.5	-64.8	179.9	0	0	0	110.3	C680 T682 F734 K736 N738 F739 I753	C680-L808 HydrophobicContact CB-CB 4.15Å; C680-L808 PolarHBondContact N-O 3.33Å; C680-L808 PolarHBondContact O-N 3.18Å; T682-L808 HydrophobicContact CG2-CD1 3.62Å; T682-L808 HydrophobicContact CG2-CG 3.77Å; F734-L808 HydrophobicContact CD2-CD1 4.12Å; F734-L808 HydrophobicContact CD2-CD2 4.03Å; F734-L808 HydrophobicContact CE2-CD2 3.75Å; F734-L808 HydrophobicContact CG-CD1 4.35Å; F734-L808 HydrophobicContact CZ-CD2 4.17Å; K736-L808 WeakPolarHBondContact O-CD1 3.41Å; N738-L808 PolarHBondContact ND2-O 3.21Å; N738-L808 VanDerWaalsContact ND2-O 3.16Å; N738-L808 WeakPolarHBondContact OD1-CB 3.5Å; N738-L808 PolarHBondContact OD1-O 3.29Å; F739-L808 HydrophobicContact CD2-CB 4.3Å; F739-L808 HydrophobicContact CE2-CB 3.93Å; F739-L808 HydrophobicContact CE2-CD2 4.43Å; I753-L808 HydrophobicContact CB-CD2 4.17Å; I753-L808 HydrophobicContact CD1-CD2 4.45Å; I753-L808 HydrophobicContact CG1-CD2 3.67Å; I753-L808 HydrophobicContact CG2-CD2 3.98Å
809	R	95.3	Very high	89.6	Confident	114 Å²	114	46.1 Å²	46.1	43%	0.43	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	115.6	178.5	-74.4	-168.9	177	154.6	1.9	111.1	D679 F739 G751 F752 V807	D679-R809 HydrophobicContact CB-CG 4.45Å; D679-R809 WeakPolarHBondContact OD1-CG 3.41Å; D679-R809 IonicContact OD1-NE 3.5Å; D679-R809 IonicContact OD2-CZ 2.73Å; D679-R809 IonicContact OD2-NE 3.02Å; D679-R809 PolarHBondContact OD2-NE 2.88Å; D679-R809 IonicContact OD2-NH2 3.45Å; D679-R809 PolarHBondContact OD2-NH2 2.86Å; F739-R809 WeakPolarHBondContact CZ-O 3.19Å; G751-R809 CarbonylContact C-O 3.54Å; G751-R809 VanDerWaalsContact CA-O 3.25Å; G751-R809 WeakPolarHBondContact CA-O 3.41Å; F752-R809 PolarHBondContact N-O 2.83Å; F752-R809 PolarHBondContact O-N 3.49Å; V807-R809 HydrophobicContact CG1-CG 4.39Å
810	I	95.9	Very high	91.2	Very high	15 Å²	15	40.6 Å²	40.6	8%	0.077	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	154.8	173	65.4	176	0	0	0	111.4	F677 F739 D749 K812 R815	F677-I810 HydrophobicContact CB-CD1 3.79Å; F677-I810 HydrophobicContact CB-CG1 4.21Å; F677-I810 HydrophobicContact CD1-CD1 4.23Å; F677-I810 HydrophobicContact CG-CD1 3.97Å; F739-I810 HydrophobicContact CD1-CG2 4.11Å; F739-I810 HydrophobicContact CD2-CG2 3.62Å; F739-I810 HydrophobicContact CE1-CG2 4.18Å; F739-I810 HydrophobicContact CE2-CG2 3.68Å; F739-I810 HydrophobicContact CG-CG2 3.83Å; F739-I810 HydrophobicContact CZ-CG2 3.98Å; D749-I810 HydrophobicContact CB-CG2 4.41Å; I810-K812 PolarHBondContact O-N 2.6Å; I810-R815 HydrophobicContact CD1-CB 3.85Å; I810-R815 HydrophobicContact CD1-CG 3.84Å; I810-R815 VanDerWaalsContact CD1-CZ 3.47Å
811	D	95.6	Very high	92.4	Very high	64 Å²	64	39.3 Å²	39.3	34%	0.342	19%	0.19	S	C	.	.			trans	-66.9	101.3	162.6	-177.9	-17.2	0	0	0	109.2	T750 E813 R814 R815	T750-D811 WeakPolarHBondContact O-CB 3.48Å; T750-D811 PolarHBondContact O-N 3.3Å; D811-E813 VanDerWaalsContact C-N 3.26Å; D811-E813 PolarHBondContact O-N 2.8Å; D811-E813 PolarHBondContact OD1-N 2.81Å; D811-R814 HydrophobicContact CB-CB 3.86Å; D811-R814 PolarHBondContact O-N 3.44Å; D811-R814 PolarHBondContact OD1-N 2.92Å; D811-R814 VanDerWaalsContact OD1-N 3.09Å; D811-R815 WeakPolarHBondContact O-CB 3.3Å; D811-R815 PolarHBondContact O-N 2.85Å
812	K	94.5	Very high	93.4	Very high	58 Å²	58	36 Å²	36	25%	0.252	17%	0.172	S	C	.	.	H	α-helix	trans	-60.4	-34.7	-176.2	-62.9	-167.1	175.2	-168.9	0	112.7	D676 F677 I810 F816	D676-K812 IonicContact OD1-NZ 3.96Å; D676-K812 PolarHBondContact OD1-NZ 2.99Å; F677-K812 HydrophobicContact CB-CG 4.35Å; F677-K812 HydrophobicContact CD2-CB 3.8Å; F677-K812 HydrophobicContact CD2-CD 4.29Å; F677-K812 HydrophobicContact CD2-CG 3.9Å; F677-K812 HydrophobicContact CE2-CB 4.3Å; F677-K812 WeakPolarHBondContact CE2-O 3.4Å; F677-K812 VanDerWaalsContact O-CE 3.27Å; F677-K812 WeakPolarHBondContact O-CE 3.26Å; F677-K812 PolarHBondContact O-NZ 2.9Å; I810-K812 PolarHBondContact O-N 2.6Å; K812-F816 WeakPolarHBondContact O-CB 3.12Å; K812-F816 PolarHBondContact O-N 3.05Å
813	E	93.2	Very high	94	Very high	115 Å²	115	35.2 Å²	35.2	54%	0.537	17%	0.169	S	C	.	.	H	α-helix	trans	-75.1	-46.6	-178.8	-176.7	175.1	169.4	0	0	110.6	R673 D811 R815 F816 N817	R673-E813 IonicContact NH2-OE2 3.08Å; D811-E813 VanDerWaalsContact C-N 3.26Å; D811-E813 PolarHBondContact O-N 2.8Å; D811-E813 PolarHBondContact OD1-N 2.81Å; E813-R815 VanDerWaalsContact C-N 3.3Å; E813-R815 PolarHBondContact O-N 2.83Å; E813-F816 PolarHBondContact O-N 3.39Å; E813-N817 WeakPolarHBondContact O-CB 3.42Å; E813-N817 PolarHBondContact O-N 3.26Å
814	R	95.1	Very high	94.7	Very high	60 Å²	60	31.3 Å²	31.3	23%	0.226	15%	0.148	C	C	.	.	H	α-helix	trans	-55.4	-47	172.7	-176.8	-176.7	178.4	84.2	5.1	111.2	D747 A748 T750 D811 N817 L818 P855	D747-R814 IonicContact OD2-NH2 3.74Å; A748-R814 PolarHBondContact O-NE 2.67Å; A748-R814 PolarHBondContact O-NH2 3.02Å; A748-R814 VanDerWaalsContact O-NH2 3.12Å; T750-R814 WeakPolarHBondContact OG1-CD 3.48Å; D811-R814 HydrophobicContact CB-CB 3.86Å; D811-R814 PolarHBondContact O-N 3.44Å; D811-R814 PolarHBondContact OD1-N 2.92Å; D811-R814 VanDerWaalsContact OD1-N 3.09Å; R814-N817 PolarHBondContact O-N 2.88Å; R814-L818 HydrophobicContact CG-CD1 4.06Å; R814-L818 HydrophobicContact CG-CG 4.44Å; R814-L818 VanDerWaalsContact O-CG 3.31Å; R814-L818 WeakPolarHBondContact O-CG 3.32Å; R814-L818 PolarHBondContact O-N 3.23Å; R814-P855 HydrophobicContact CG-CB 4.48Å; R814-P855 HydrophobicContact CG-CG 4Å
815	R	95.5	Very high	95.3	Very high	3 Å²	3	28.9 Å²	28.9	1%	0.011	14%	0.136	C	C	.	.	H	α-helix	trans	-59.5	-49.6	178.9	171.5	61.3	76.4	76.1	0.8	111.9	K658 F677 N738 D749 I810 D811 E813 N817 L818 M819	K658-R815 PolarHBondContact O-NH1 2.88Å; F677-R815 HydrophobicContact CD1-CG 3.85Å; F677-R815 HydrophobicContact CD2-CG 4.47Å; F677-R815 HydrophobicContact CE1-CG 3.45Å; F677-R815 VanDerWaalsContact CE1-CG 3.45Å; F677-R815 HydrophobicContact CE2-CB 4.38Å; F677-R815 HydrophobicContact CE2-CG 4.11Å; F677-R815 HydrophobicContact CG-CG 4.35Å; F677-R815 HydrophobicContact CZ-CB 4.29Å; F677-R815 HydrophobicContact CZ-CG 3.58Å; N738-R815 PolarHBondContact O-NH2 2.77Å; D749-R815 VanDerWaalsContact CG-NE 3.33Å; D749-R815 IonicContact OD1-CZ 2.7Å; D749-R815 IonicContact OD1-NE 3.97Å; D749-R815 PolarHBondContact OD1-NE 2.64Å; D749-R815 IonicContact OD2-CZ 3.47Å; D749-R815 IonicContact OD2-NE 3.21Å; D749-R815 PolarHBondContact OD2-NE 3.38Å; D749-R815 IonicContact OD2-NH2 3.95Å; D749-R815 PolarHBondContact OD2-NH2 3.18Å; I810-R815 HydrophobicContact CD1-CB 3.85Å; I810-R815 HydrophobicContact CD1-CG 3.84Å; I810-R815 VanDerWaalsContact CD1-CZ 3.47Å; D811-R815 WeakPolarHBondContact O-CB 3.3Å; D811-R815 PolarHBondContact O-N 2.85Å; E813-R815 VanDerWaalsContact C-N 3.3Å; E813-R815 PolarHBondContact O-N 2.83Å; R815-N817 VanDerWaalsContact C-N 3.28Å; R815-N817 PolarHBondContact O-N 2.67Å; R815-L818 PolarHBondContact O-N 3.12Å; R815-M819 HydrophobicContact CG-SD 3.95Å; R815-M819 WeakPolarHBondContact O-CG 3.16Å; R815-M819 PolarHBondContact O-N 3.01Å
816	F	95.2	Very high	95.6	Very high	49 Å²	49	27 Å²	27	22%	0.215	12%	0.123	C	C	.	.	H	α-helix	trans	-57.4	-46	178.7	175.5	-103.5	0	0	0	110.9	Y675 F677 K812 E813 L818 M819 C820 L959	Y675-F816 AromaticContact CD2-CD2 3.7Å; Y675-F816 HydrophobicContact CD2-CD2 3.7Å; Y675-F816 AromaticContact CD2-CE2 3.5Å; Y675-F816 HydrophobicContact CD2-CE2 3.5Å; Y675-F816 HydrophobicContact CE2-CD2 4.27Å; Y675-F816 AromaticContact CE2-CE2 3.72Å; Y675-F816 HydrophobicContact CE2-CE2 3.72Å; Y675-F816 HydrophobicContact CG-CD2 4.12Å; Y675-F816 HydrophobicContact CG-CE2 4.36Å; F677-F816 HydrophobicContact CE2-CB 4.31Å; F677-F816 HydrophobicContact CZ-CB 4.34Å; K812-F816 WeakPolarHBondContact O-CB 3.12Å; K812-F816 PolarHBondContact O-N 3.05Å; E813-F816 PolarHBondContact O-N 3.39Å; F816-L818 PolarHBondContact O-N 3.1Å; F816-M819 WeakPolarHBondContact O-CB 3.2Å; F816-M819 PolarHBondContact O-N 3.38Å; F816-M819 VanDerWaalsContact O-N 3.1Å; F816-C820 PolarHBondContact O-N 3.44Å; F816-C820 PolarHBondContact O-SG 3.38Å; F816-C820 VanDerWaalsContact O-SG 3.41Å; F816-L959 HydrophobicContact CD2-CD2 4.26Å; F816-L959 HydrophobicContact CE2-CD2 3.78Å; F816-L959 HydrophobicContact CZ-CD2 4.47Å
817	N	95.9	Very high	95.7	Very high	34 Å²	34	27 Å²	27	18%	0.182	12%	0.123	C	C	.	.	H	α-helix	trans	-65.4	-36.4	178.5	-72.4	-9.8	0	0	0	113.1	E813 R814 R815 M819 C820 S821 P855 F987	E813-N817 WeakPolarHBondContact O-CB 3.42Å; E813-N817 PolarHBondContact O-N 3.26Å; R814-N817 PolarHBondContact O-N 2.88Å; R815-N817 VanDerWaalsContact C-N 3.28Å; R815-N817 PolarHBondContact O-N 2.67Å; N817-M819 VanDerWaalsContact C-N 3.32Å; N817-C820 WeakPolarHBondContact O-CB 3.32Å; N817-C820 PolarHBondContact O-N 2.8Å; N817-S821 VanDerWaalsContact O-CB 3.29Å; N817-S821 WeakPolarHBondContact O-CB 3.45Å; N817-S821 PolarHBondContact O-N 3.33Å; N817-P855 HydrophobicContact CB-CB 4.3Å; N817-P855 WeakPolarHBondContact CB-O 3.18Å; N817-F987 HydrophobicContact CB-CE2 4.49Å; N817-F987 WeakPolarHBondContact O-CE2 3.33Å; N817-F987 VanDerWaalsContact O-CZ 3.24Å; N817-F987 WeakPolarHBondContact O-CZ 3.37Å
818	L	96.6	Very high	95.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63.7	-37.8	172	-71.7	170.8	0	0	0	111.8	Q746 D747 R814 R815 F816 S821 H822 P855	Q746-L818 HydrophobicContact CG-CB 4.39Å; Q746-L818 HydrophobicContact CG-CD2 4.27Å; D747-L818 HydrophobicContact CB-CD2 3.9Å; R814-L818 HydrophobicContact CG-CD1 4.06Å; R814-L818 HydrophobicContact CG-CG 4.44Å; R814-L818 VanDerWaalsContact O-CG 3.31Å; R814-L818 WeakPolarHBondContact O-CG 3.32Å; R814-L818 PolarHBondContact O-N 3.23Å; R815-L818 PolarHBondContact O-N 3.12Å; F816-L818 PolarHBondContact O-N 3.1Å; L818-S821 WeakPolarHBondContact O-CB 3.02Å; L818-S821 PolarHBondContact O-N 3.13Å; L818-H822 WeakPolarHBondContact O-CB 3.5Å; L818-H822 PolarHBondContact O-N 2.61Å; L818-P855 HydrophobicContact CD2-CG 4.14Å; L818-P855 HydrophobicContact CG-CG 4.45Å
819	M	96.5	Very high	95.8	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.01	11%	0.114	C	C	.	.	H	α-helix	trans	-64.3	-44.3	173.6	-66.8	161.7	68.4	0	0	111.7	Y675 F677 R815 F816 N817 H822 T823 H958 L959	Y675-M819 HydrophobicContact CD1-CE 3.76Å; Y675-M819 HydrophobicContact CE1-CE 3.68Å; F677-M819 HydrophobicContact CE1-CE 4.26Å; F677-M819 HydrophobicContact CE1-SD 3.5Å; F677-M819 WeakPolarHBondContact CE1-SD 3.37Å; F677-M819 HydrophobicContact CZ-CE 4.46Å; F677-M819 HydrophobicContact CZ-SD 3.59Å; F677-M819 VanDerWaalsContact CZ-SD 3.59Å; R815-M819 HydrophobicContact CG-SD 3.95Å; R815-M819 WeakPolarHBondContact O-CG 3.16Å; R815-M819 PolarHBondContact O-N 3.01Å; F816-M819 WeakPolarHBondContact O-CB 3.2Å; F816-M819 PolarHBondContact O-N 3.38Å; F816-M819 VanDerWaalsContact O-N 3.1Å; N817-M819 VanDerWaalsContact C-N 3.32Å; M819-H822 PolarHBondContact O-N 3.43Å; M819-T823 WeakPolarHBondContact O-CB 3.17Å; M819-T823 PolarHBondContact O-N 3.33Å; M819-T823 PolarHBondContact O-OG1 2.89Å; M819-H958 WeakPolarHBondContact CE-O 3.44Å; M819-L959 HydrophobicContact CB-CD2 4.1Å; M819-L959 HydrophobicContact CB-CG 4.35Å
820	C	96.1	Very high	95.7	Very high	4 Å²	4	21 Å²	21	3%	0.027	10%	0.1	C	C	.	.	H	α-helix	trans	-58.3	-49.5	173.1	-66.9	0	0	0	0	111.3	F816 N817 H822 G824 L959 L965 F987	F816-C820 PolarHBondContact O-N 3.44Å; F816-C820 PolarHBondContact O-SG 3.38Å; F816-C820 VanDerWaalsContact O-SG 3.41Å; N817-C820 WeakPolarHBondContact O-CB 3.32Å; N817-C820 PolarHBondContact O-N 2.8Å; C820-H822 PolarHBondContact O-N 2.82Å; C820-G824 WeakPolarHBondContact O-CA 3.25Å; C820-G824 PolarHBondContact O-N 2.79Å; C820-L959 HydrophobicContact CB-CD1 4.48Å; C820-L965 HydrophobicContact CB-CD1 3.78Å; C820-L965 VanDerWaalsContact O-CD1 3.23Å; C820-L965 WeakPolarHBondContact O-CD1 3.17Å; C820-F987 HydrophobicContact CB-CD2 3.55Å; C820-F987 HydrophobicContact CB-CE2 3.41Å; C820-F987 VanDerWaalsContact CB-CE2 3.41Å; C820-F987 HydrophobicContact CB-CZ 4.3Å
821	S	97.2	Very high	95.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-55	-49.3	178.7	-162.4	0	0	0	0	111.9	N817 L818 G824 Q825 S853 H854 Y857 F858 F987	N817-S821 VanDerWaalsContact O-CB 3.29Å; N817-S821 WeakPolarHBondContact O-CB 3.45Å; N817-S821 PolarHBondContact O-N 3.33Å; L818-S821 WeakPolarHBondContact O-CB 3.02Å; L818-S821 PolarHBondContact O-N 3.13Å; S821-G824 PolarHBondContact O-N 3.14Å; S821-Q825 PolarHBondContact O-N 3.06Å; S821-S853 WeakPolarHBondContact OG-CA 3.46Å; S821-H854 WeakPolarHBondContact CB-O 3.1Å; S821-H854 PolarHBondContact OG-N 2.65Å; S821-H854 PolarHBondContact OG-O 3.07Å; S821-Y857 PolarHBondContact OG-O 2.81Å; S821-Y857 VanDerWaalsContact OG-O 3.1Å; S821-F858 WeakPolarHBondContact OG-CB 3.13Å; S821-F987 VanDerWaalsContact CB-CE1 3.44Å; S821-F987 WeakPolarHBondContact OG-CE1 3.32Å
822	H	96.5	Very high	95.7	Very high	4 Å²	4	17.3 Å²	17.3	2%	0.019	8%	0.08	C	C	.	.	H	α-helix	trans	-71.5	-46.6	-176.3	-152	156.5	0	0	0	112.3	Q746 L818 M819 C820 G824 Q825 H826 S853 C954 H958	Q746-H822 PolarHBondContact OE1-ND1 3.15Å; L818-H822 WeakPolarHBondContact O-CB 3.5Å; L818-H822 PolarHBondContact O-N 2.61Å; M819-H822 PolarHBondContact O-N 3.43Å; C820-H822 PolarHBondContact O-N 2.82Å; H822-G824 VanDerWaalsContact C-N 3.3Å; H822-G824 PolarHBondContact O-N 3.21Å; H822-Q825 WeakPolarHBondContact O-CB 3.01Å; H822-Q825 PolarHBondContact O-N 3.07Å; H822-H826 AromaticContact CD2-CD2 3.92Å; H822-H826 AromaticContact CD2-NE2 3.63Å; H822-H826 AromaticContact NE2-NE2 3.81Å; H822-H826 PolarHBondContact O-CD2 3.14Å; H822-H826 PolarHBondContact O-N 3.38Å; H822-S853 WeakPolarHBondContact CA-OG 3.26Å; H822-C954 VanDerWaalsContact CE1-SG 3.51Å; H822-C954 PolarHBondContact NE2-SG 3.01Å; H822-H958 AromaticContact CD2-CE1 3.58Å; H822-H958 AromaticContact CG-CE1 3.56Å; H822-H958 AromaticContact ND1-CE1 4Å
823	T	96.4	Very high	95.5	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.006	8%	0.082	C	C	.	.	H	α-helix	trans	-61.1	-40.8	173.7	-65.2	0	0	0	0	111.2	M819 Q825 H826 L827 I897 H958 L959	M819-T823 WeakPolarHBondContact O-CB 3.17Å; M819-T823 PolarHBondContact O-N 3.33Å; M819-T823 PolarHBondContact O-OG1 2.89Å; T823-Q825 VanDerWaalsContact C-N 3.31Å; T823-Q825 PolarHBondContact O-N 3.31Å; T823-H826 PolarHBondContact O-N 3.48Å; T823-L827 PolarHBondContact O-N 2.84Å; T823-L827 VanDerWaalsContact O-N 3.07Å; T823-I897 HydrophobicContact CG2-CD1 4.08Å; T823-I897 HydrophobicContact CG2-CG1 4Å; T823-H958 WeakPolarHBondContact OG1-CB 3.37Å; T823-H958 PolarHBondContact OG1-ND1 3.35Å; T823-L959 HydrophobicContact CG2-CB 4.39Å; T823-L959 HydrophobicContact CG2-CD1 4.32Å; T823-L959 PolarHBondContact OG1-N 3.48Å
824	G	96.6	Very high	95.4	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-60	-39.1	174.9	0	0	0	0	0	112.6	C820 S821 H822 L827 F828	C820-G824 WeakPolarHBondContact O-CA 3.25Å; C820-G824 PolarHBondContact O-N 2.79Å; S821-G824 PolarHBondContact O-N 3.14Å; H822-G824 VanDerWaalsContact C-N 3.3Å; H822-G824 PolarHBondContact O-N 3.21Å; G824-L827 PolarHBondContact O-N 3.32Å; G824-F828 WeakPolarHBondContact O-CB 3.26Å; G824-F828 PolarHBondContact O-N 3.45Å
825	Q	97.1	Very high	95.2	Very high	10 Å²	10	12.2 Å²	12.2	5%	0.047	7%	0.066	C	C	.	.	H	α-helix	trans	-61.9	-44.4	175	-168.2	-174.8	-36.7	0	0	112.1	S821 H822 T823 T829 S853 F858 L860	S821-Q825 PolarHBondContact O-N 3.06Å; H822-Q825 WeakPolarHBondContact O-CB 3.01Å; H822-Q825 PolarHBondContact O-N 3.07Å; T823-Q825 VanDerWaalsContact C-N 3.31Å; T823-Q825 PolarHBondContact O-N 3.31Å; Q825-T829 WeakPolarHBondContact O-CB 3.46Å; Q825-T829 PolarHBondContact O-N 2.95Å; Q825-T829 PolarHBondContact O-OG1 2.79Å; Q825-S853 PolarHBondContact OE1-OG 3.07Å; Q825-F858 HydrophobicContact CB-CD2 4.04Å; Q825-F858 HydrophobicContact CB-CE2 4.49Å; Q825-F858 HydrophobicContact CB-CG 4.28Å; Q825-F858 HydrophobicContact CG-CD2 4.24Å; Q825-L860 HydrophobicContact CG-CD1 4.14Å
826	H	94.9	Very high	94.9	Very high	4 Å²	4	12 Å²	12	2%	0.019	7%	0.066	C	C	.	.	H	α-helix	trans	-62.8	-47	176.7	-73.2	-76.7	0	0	0	111.9	H822 T823 T829 S830 I930 E952 H958	H822-H826 AromaticContact CD2-CD2 3.92Å; H822-H826 AromaticContact CD2-NE2 3.63Å; H822-H826 AromaticContact NE2-NE2 3.81Å; H822-H826 PolarHBondContact O-CD2 3.14Å; H822-H826 PolarHBondContact O-N 3.38Å; T823-H826 PolarHBondContact O-N 3.48Å; H826-T829 PolarHBondContact O-N 3.2Å; H826-S830 PolarHBondContact O-N 3.41Å; H826-S830 VanDerWaalsContact O-N 3.07Å; H826-I930 HydrophobicContact CB-CD1 3.86Å; H826-E952 IonicContact CE1-OE1 2.61Å; H826-E952 IonicContact CE1-OE2 3.59Å; H826-E952 PolarHBondContact CE1-OE2 3.23Å; H826-E952 IonicContact ND1-OE2 2.66Å; H826-E952 PolarHBondContact ND1-OE2 2.92Å; H826-H958 AromaticContact CD2-CE1 3.35Å; H826-H958 PolarHBondContact CD2-CE1 3.09Å; H826-H958 AromaticContact CD2-ND1 3.92Å; H826-H958 AromaticContact NE2-CE1 3.2Å; H826-H958 PolarHBondContact NE2-CE1 3.48Å; H826-H958 AromaticContact NE2-NE2 3.83Å
827	L	96	Very high	94.3	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-59.6	-50.2	177.7	179.8	63.5	0	0	0	111.3	T823 G824 T829 S830 A831 L890 I891 I930 I949 L962 L965 I968	T823-L827 PolarHBondContact O-N 2.84Å; T823-L827 VanDerWaalsContact O-N 3.07Å; G824-L827 PolarHBondContact O-N 3.32Å; L827-T829 VanDerWaalsContact C-N 3.29Å; L827-T829 PolarHBondContact O-N 3.09Å; L827-S830 PolarHBondContact O-N 3.16Å; L827-A831 WeakPolarHBondContact O-CB 3.39Å; L827-A831 PolarHBondContact O-N 2.85Å; L827-L890 HydrophobicContact CD1-CB 3.78Å; L827-L890 HydrophobicContact CD1-CD1 3.63Å; L827-L890 HydrophobicContact CD1-CG 4.33Å; L827-I891 HydrophobicContact CD2-CD1 4.11Å; L827-I891 HydrophobicContact CD2-CG1 3.62Å; L827-I930 HydrophobicContact CB-CD1 4.12Å; L827-I949 HydrophobicContact CD1-CG2 4.17Å; L827-L962 HydrophobicContact CD1-CD2 3.8Å; L827-L962 HydrophobicContact CD2-CD2 3.56Å; L827-L962 HydrophobicContact CD2-CG 4.32Å; L827-L962 HydrophobicContact CG-CD2 4.25Å; L827-L965 HydrophobicContact CD2-CD2 4.18Å; L827-I968 HydrophobicContact CD2-CD1 4.2Å
828	F	97.5	Very high	93.7	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60.3	-41	-179.6	-175.1	-96.4	0	0	0	111.4	G824 A831 L832 F858 L860 L883 I968 I970 F983	G824-F828 WeakPolarHBondContact O-CB 3.26Å; G824-F828 PolarHBondContact O-N 3.45Å; F828-A831 PolarHBondContact O-N 2.83Å; F828-L832 HydrophobicContact CE1-CD2 4.29Å; F828-L832 VanDerWaalsContact O-CB 3.24Å; F828-L832 WeakPolarHBondContact O-CB 3.31Å; F828-L832 PolarHBondContact O-N 3.31Å; F828-F858 HydrophobicContact CB-CE2 3.85Å; F828-F858 HydrophobicContact CB-CZ 3.93Å; F828-F858 HydrophobicContact CD1-CE2 4.11Å; F828-F858 AromaticContact CG-CE2 3.92Å; F828-F858 HydrophobicContact CG-CE2 3.92Å; F828-F858 HydrophobicContact CG-CZ 4.19Å; F828-L860 HydrophobicContact CD1-CB 4.08Å; F828-L860 HydrophobicContact CD1-CD2 3.55Å; F828-L860 HydrophobicContact CD1-CG 4.4Å; F828-L860 HydrophobicContact CE1-CB 4.18Å; F828-L860 HydrophobicContact CE1-CD2 3.79Å; F828-L883 HydrophobicContact CD2-CD2 4.47Å; F828-L883 HydrophobicContact CD2-CG 4.44Å; F828-L883 HydrophobicContact CE1-CD2 4.27Å; F828-L883 HydrophobicContact CE2-CD2 3.53Å; F828-L883 HydrophobicContact CE2-CG 3.78Å; F828-L883 HydrophobicContact CZ-CD2 3.4Å; F828-L883 VanDerWaalsContact CZ-CD2 3.4Å; F828-L883 HydrophobicContact CZ-CG 4.18Å; F828-I968 HydrophobicContact CD2-CG2 4.27Å; F828-I970 HydrophobicContact CE2-CD1 3.73Å; F828-I970 HydrophobicContact CE2-CG1 3.67Å; F828-I970 HydrophobicContact CZ-CD1 3.97Å; F828-I970 HydrophobicContact CZ-CG1 4.02Å; F828-F983 HydrophobicContact CE1-CB 3.81Å; F828-F983 HydrophobicContact CE1-CD1 4.16Å; F828-F983 HydrophobicContact CE1-CD2 4.35Å; F828-F983 AromaticContact CE1-CG 3.86Å; F828-F983 HydrophobicContact CE1-CG 3.86Å; F828-F983 HydrophobicContact CZ-CB 4.02Å; F828-F983 AromaticContact CZ-CD1 3.79Å; F828-F983 HydrophobicContact CZ-CD1 3.79Å; F828-F983 AromaticContact CZ-CG 3.96Å; F828-F983 HydrophobicContact CZ-CG 3.96Å
829	T	95.2	Very high	92.5	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-61.6	-46.7	176.6	-53.3	0	0	0	0	111.4	Q825 H826 L827 L832 E833 F846 H848 L860 R914	Q825-T829 WeakPolarHBondContact O-CB 3.46Å; Q825-T829 PolarHBondContact O-N 2.95Å; Q825-T829 PolarHBondContact O-OG1 2.79Å; H826-T829 PolarHBondContact O-N 3.2Å; L827-T829 VanDerWaalsContact C-N 3.29Å; L827-T829 PolarHBondContact O-N 3.09Å; T829-L832 PolarHBondContact O-N 2.95Å; T829-E833 WeakPolarHBondContact O-CB 3.33Å; T829-E833 PolarHBondContact O-N 2.93Å; T829-F846 HydrophobicContact CG2-CE1 4.06Å; T829-F846 HydrophobicContact CG2-CZ 3.89Å; T829-H848 HydrophobicContact CG2-CB 4.02Å; T829-L860 HydrophobicContact CG2-CD1 4.33Å; T829-L860 HydrophobicContact CG2-CD2 4.35Å; T829-L860 WeakPolarHBondContact OG1-CD1 2.95Å; T829-R914 VanDerWaalsContact CG2-NH1 3.33Å
830	S	93	Very high	90.5	Very high	18 Å²	18	20.9 Å²	20.9	13%	0.126	12%	0.122	C	C	.	.	H	α-helix	trans	-64.2	-43.5	177	177.3	0	0	0	0	112.3	H826 L827 L832 E833 S834 I949	H826-S830 PolarHBondContact O-N 3.41Å; H826-S830 VanDerWaalsContact O-N 3.07Å; L827-S830 PolarHBondContact O-N 3.16Å; S830-L832 VanDerWaalsContact C-N 3.34Å; S830-L832 PolarHBondContact O-N 2.98Å; S830-E833 PolarHBondContact O-N 2.95Å; S830-S834 VanDerWaalsContact O-CB 3.28Å; S830-S834 WeakPolarHBondContact O-CB 3.45Å; S830-S834 PolarHBondContact O-N 3.47Å; S830-I949 WeakPolarHBondContact CB-O 3.31Å; S830-I949 PolarHBondContact OG-O 3.4Å
831	A	95.2	Very high	88.7	Confident	1 Å²	1	24 Å²	24	1%	0.008	14%	0.144	C	C	.	.	H	α-helix	trans	-61.3	-43.5	177.3	0	0	0	0	0	111.7	L827 F828 L835 L883 K886 L890	L827-A831 WeakPolarHBondContact O-CB 3.39Å; L827-A831 PolarHBondContact O-N 2.85Å; F828-A831 PolarHBondContact O-N 2.83Å; A831-L835 WeakPolarHBondContact O-CB 3.35Å; A831-L835 PolarHBondContact O-N 2.83Å; A831-L883 HydrophobicContact CB-CD1 3.82Å; A831-K886 HydrophobicContact CB-CD 4.37Å; A831-K886 HydrophobicContact CB-CG 4.22Å; A831-L890 HydrophobicContact CB-CD1 4.35Å
832	L	94.9	Very high	86.8	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-66.1	-48.5	178.5	177.6	60.9	0	0	0	111.5	F828 T829 S830 S834 L835 V836 F846 L860 A862 I864 F879 L883 F983	F828-L832 HydrophobicContact CE1-CD2 4.29Å; F828-L832 VanDerWaalsContact O-CB 3.24Å; F828-L832 WeakPolarHBondContact O-CB 3.31Å; F828-L832 PolarHBondContact O-N 3.31Å; T829-L832 PolarHBondContact O-N 2.95Å; S830-L832 VanDerWaalsContact C-N 3.34Å; S830-L832 PolarHBondContact O-N 2.98Å; L832-S834 VanDerWaalsContact C-N 3.33Å; L832-S834 PolarHBondContact O-N 2.98Å; L832-L835 PolarHBondContact O-N 2.89Å; L832-V836 HydrophobicContact CD1-CG2 4.01Å; L832-V836 HydrophobicContact CG-CG2 4.45Å; L832-V836 WeakPolarHBondContact O-CB 3.41Å; L832-V836 VanDerWaalsContact O-CG2 3.28Å; L832-V836 WeakPolarHBondContact O-CG2 3.41Å; L832-V836 PolarHBondContact O-N 2.88Å; L832-F846 HydrophobicContact CB-CE2 4.34Å; L832-F846 HydrophobicContact CD2-CE2 3.69Å; L832-F846 HydrophobicContact CD2-CZ 4.36Å; L832-F846 HydrophobicContact CG-CD2 4.36Å; L832-F846 HydrophobicContact CG-CE2 3.68Å; L832-F846 HydrophobicContact CG-CZ 4.45Å; L832-L860 HydrophobicContact CD2-CD2 3.75Å; L832-A862 HydrophobicContact CD2-CB 4.17Å; L832-I864 HydrophobicContact CD1-CD1 3.93Å; L832-I864 HydrophobicContact CD2-CD1 4.38Å; L832-I864 HydrophobicContact CG-CD1 4.49Å; L832-F879 HydrophobicContact CD1-CE1 3.79Å; L832-F879 HydrophobicContact CD1-CZ 3.68Å; L832-L883 HydrophobicContact CB-CD1 4.08Å; L832-L883 HydrophobicContact CB-CD2 4.18Å; L832-L883 HydrophobicContact CD1-CD2 3.72Å; L832-L883 HydrophobicContact CG-CD2 4.44Å; L832-F983 HydrophobicContact CD1-CZ 4.17Å; L832-F983 HydrophobicContact CD2-CD2 4.12Å; L832-F983 HydrophobicContact CD2-CE2 3.69Å; L832-F983 HydrophobicContact CD2-CZ 4.09Å
833	E	91.6	Very high	85.3	Confident	60 Å²	60	33.8 Å²	33.8	28%	0.28	20%	0.2	S	C	.	.	H	α-helix	trans	-54.8	-51.5	175.6	-179.7	165	-160.2	0	0	110.7	T829 S830 L835 V836 L837 F846 R914	T829-E833 WeakPolarHBondContact O-CB 3.33Å; T829-E833 PolarHBondContact O-N 2.93Å; S830-E833 PolarHBondContact O-N 2.95Å; E833-L835 VanDerWaalsContact C-N 3.34Å; E833-L835 PolarHBondContact O-N 3.23Å; E833-V836 PolarHBondContact O-N 2.79Å; E833-L837 HydrophobicContact CG-CD1 3.78Å; E833-L837 HydrophobicContact CG-CG 4.42Å; E833-L837 WeakPolarHBondContact O-CB 3.4Å; E833-L837 VanDerWaalsContact O-CG 3.27Å; E833-L837 WeakPolarHBondContact O-CG 3.49Å; E833-L837 PolarHBondContact O-N 3.01Å; E833-F846 HydrophobicContact CB-CD1 3.48Å; E833-F846 VanDerWaalsContact CB-CD1 3.48Å; E833-F846 HydrophobicContact CB-CD2 4.4Å; E833-F846 HydrophobicContact CB-CE1 3.58Å; E833-F846 HydrophobicContact CB-CE2 4.48Å; E833-F846 HydrophobicContact CB-CG 3.91Å; E833-F846 HydrophobicContact CB-CZ 4.09Å; E833-F846 HydrophobicContact CG-CB 4.21Å; E833-F846 HydrophobicContact CG-CD1 3.43Å; E833-F846 VanDerWaalsContact CG-CD1 3.43Å; E833-F846 HydrophobicContact CG-CE1 3.98Å; E833-F846 HydrophobicContact CG-CG 3.94Å; E833-R914 IonicContact OE2-CZ 3.3Å; E833-R914 IonicContact OE2-NH2 3.33Å; E833-R914 PolarHBondContact OE2-NH2 3.22Å
834	S	90.1	Very high	84.4	Confident	55 Å²	55	34.1 Å²	34.1	39%	0.385	20%	0.202	S	C	.	.	H	α-helix	trans	-62.3	-38.9	179.6	178.9	0	0	0	0	112.4	S830 L832 S838 K886	S830-S834 VanDerWaalsContact O-CB 3.28Å; S830-S834 WeakPolarHBondContact O-CB 3.45Å; S830-S834 PolarHBondContact O-N 3.47Å; L832-S834 VanDerWaalsContact C-N 3.33Å; L832-S834 PolarHBondContact O-N 2.98Å; S834-S838 VanDerWaalsContact O-CB 3.27Å; S834-S838 WeakPolarHBondContact O-CB 3.36Å; S834-S838 PolarHBondContact O-N 2.93Å; S834-S838 PolarHBondContact O-OG 2.79Å; S834-K886 VanDerWaalsContact CB-NZ 3.27Å; S834-K886 PolarHBondContact OG-NZ 2.98Å
835	L	91	Very high	83.5	Confident	11 Å²	11	34.7 Å²	34.7	6%	0.058	21%	0.206	C	C	.	.	H	α-helix	trans	-66.4	-44.9	177.2	-177.7	63.4	0	0	0	111.7	A831 L832 E833 S838 R839 F879 L883	A831-L835 WeakPolarHBondContact O-CB 3.35Å; A831-L835 PolarHBondContact O-N 2.83Å; L832-L835 PolarHBondContact O-N 2.89Å; E833-L835 VanDerWaalsContact C-N 3.34Å; E833-L835 PolarHBondContact O-N 3.23Å; L835-S838 PolarHBondContact O-N 2.76Å; L835-S838 PolarHBondContact O-OG 3.32Å; L835-R839 PolarHBondContact O-N 3.45Å; L835-F879 HydrophobicContact CD2-CD2 4.32Å; L835-F879 HydrophobicContact CD2-CE1 4.29Å; L835-F879 HydrophobicContact CD2-CE2 3.96Å; L835-F879 HydrophobicContact CD2-CZ 3.94Å; L835-F879 HydrophobicContact CG-CE2 4.29Å; L835-L883 HydrophobicContact CD2-CB 3.93Å; L835-L883 HydrophobicContact CD2-CD1 4.28Å
836	V	88.4	Confident	82.9	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.3	-46.4	177.6	166.6	0	0	0	0	110.7	L832 E833 R839 F846 I864 A868 F879	L832-V836 HydrophobicContact CD1-CG2 4.01Å; L832-V836 HydrophobicContact CG-CG2 4.45Å; L832-V836 WeakPolarHBondContact O-CB 3.41Å; L832-V836 VanDerWaalsContact O-CG2 3.28Å; L832-V836 WeakPolarHBondContact O-CG2 3.41Å; L832-V836 PolarHBondContact O-N 2.88Å; E833-V836 PolarHBondContact O-N 2.79Å; V836-R839 PolarHBondContact O-N 3.46Å; V836-F846 HydrophobicContact CB-CB 4.5Å; V836-F846 HydrophobicContact CG1-CB 4.05Å; V836-F846 HydrophobicContact CG2-CD2 4.4Å; V836-I864 HydrophobicContact CG1-CG2 4.09Å; V836-I864 HydrophobicContact CG2-CD1 4.03Å; V836-I864 HydrophobicContact CG2-CG1 4.05Å; V836-I864 HydrophobicContact CG2-CG2 3.85Å; V836-A868 HydrophobicContact CB-CB 4.36Å; V836-A868 HydrophobicContact CG1-CB 3.76Å; V836-F879 HydrophobicContact CG2-CZ 4.24Å
837	L	84.5	Confident	82.2	Confident	86 Å²	86	37.2 Å²	37.2	45%	0.45	22%	0.218	S	C	.	.	H	α-helix	trans	-72	-30.2	-180	-64.7	176.6	0	0	0	112.7	E833 R839 A840	E833-L837 HydrophobicContact CG-CD1 3.78Å; E833-L837 HydrophobicContact CG-CG 4.42Å; E833-L837 WeakPolarHBondContact O-CB 3.4Å; E833-L837 VanDerWaalsContact O-CG 3.27Å; E833-L837 WeakPolarHBondContact O-CG 3.49Å; E833-L837 PolarHBondContact O-N 3.01Å; L837-R839 VanDerWaalsContact C-N 3.33Å; L837-R839 PolarHBondContact O-N 3.03Å; L837-A840 VanDerWaalsContact O-CB 3.23Å; L837-A840 WeakPolarHBondContact O-CB 3.33Å; L837-A840 PolarHBondContact O-N 2.7Å
838	S	83	Confident	81.7	Confident	84 Å²	84	37.7 Å²	37.7	59%	0.587	22%	0.22	S	C	*	.	H	α-helix	trans	-72.2	-24.8	176.9	66.7	0	0	0	0	114.1	S834 L835 A840	S834-S838 VanDerWaalsContact O-CB 3.27Å; S834-S838 WeakPolarHBondContact O-CB 3.36Å; S834-S838 PolarHBondContact O-N 2.93Å; S834-S838 PolarHBondContact O-OG 2.79Å; L835-S838 PolarHBondContact O-N 2.76Å; L835-S838 PolarHBondContact O-OG 3.32Å; S838-A840 VanDerWaalsContact C-N 3.3Å
839	R	70.1	Confident	80.9	Confident	62 Å²	62	39.9 Å²	39.9	23%	0.234	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	8.5	179.6	-72.8	-177.1	168.5	-165.9	-3.6	112.5	L835 V836 L837 L871 D878	L835-R839 PolarHBondContact O-N 3.45Å; V836-R839 PolarHBondContact O-N 3.46Å; L837-R839 VanDerWaalsContact C-N 3.33Å; L837-R839 PolarHBondContact O-N 3.03Å; R839-L871 HydrophobicContact CB-CD1 4.09Å; R839-D878 IonicContact NH2-OD2 3.95Å; R839-D878 PolarHBondContact NH2-OD2 2.72Å
840	A	55.1	Low	80.3	Confident	38 Å²	38	40.9 Å²	40.9	31%	0.314	24%	0.241	S	C	.	.			trans	-88.1	124.2	-170.6	0	0	0	0	0	112.1	L837 S838 S844	L837-A840 VanDerWaalsContact O-CB 3.23Å; L837-A840 WeakPolarHBondContact O-CB 3.33Å; L837-A840 PolarHBondContact O-N 2.7Å; S838-A840 VanDerWaalsContact C-N 3.3Å; A840-S844 VanDerWaalsContact CB-CB 3.47Å
841	S	57.8	Low	80.2	Confident	70 Å²	70	40.9 Å²	40.9	49%	0.49	25%	0.245	S	C	.	.			trans	-62.8	160	137.2	63	0	0	0	0	107.9	S843 S844	S841-S843 PolarHBondContact O-N 3.46Å; S841-S843 PolarHBondContact OG-OG 3.29Å; S841-S844 PolarHBondContact O-N 3.41Å; S841-S844 VanDerWaalsContact O-N 3.14Å
842	N	57.3	Low	80.2	Confident	171 Å²	171	43.1 Å²	43.1	91%	0.914	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.9	-2.8	-176.9	-72.1	-16.7	0	0	0	116.8
843	S	66	Low	80.2	Confident	39 Å²	39	43.1 Å²	43.1	27%	0.273	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-11.1	179.4	65.2	0	0	0	0	116.2	Q544 S841	Q544-S843 WeakPolarHBondContact CG-O 3.23Å; Q544-S843 PolarHBondContact NE2-O 3.28Å; S841-S843 PolarHBondContact O-N 3.46Å; S841-S843 PolarHBondContact OG-OG 3.29Å
844	S	76.2	Confident	80.5	Confident	8 Å²	8	41.8 Å²	41.8	6%	0.056	25%	0.252	C	S	.	.			trans	-83	144.8	-179.6	-55.7	0	0	0	0	112.7	Q544 A840 S841 I865 S867 A868	Q544-S844 PolarHBondContact NE2-O 3.22Å; A840-S844 VanDerWaalsContact CB-CB 3.47Å; S841-S844 PolarHBondContact O-N 3.41Å; S841-S844 VanDerWaalsContact O-N 3.14Å; S844-I865 VanDerWaalsContact CA-O 3.25Å; S844-I865 WeakPolarHBondContact CA-O 3.2Å; S844-I865 WeakPolarHBondContact CB-O 3.3Å; S844-S867 PolarHBondContact OG-N 3.31Å; S844-S867 PolarHBondContact OG-OG 2.96Å; S844-A868 PolarHBondContact OG-N 2.92Å
845	A	78.3	Confident	80.7	Confident	11 Å²	11	40.2 Å²	40.2	9%	0.091	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	151.9	174.4	0	0	0	0	0	111.4	L540 Q544 I865	L540-A845 HydrophobicContact CD2-CB 3.82Å; Q544-A845 HydrophobicContact CG-CB 4.34Å; A845-I865 HydrophobicContact CB-CB 4.09Å; A845-I865 HydrophobicContact CB-CD1 3.95Å; A845-I865 PolarHBondContact N-O 3.45Å; A845-I865 PolarHBondContact O-N 3.5Å
846	F	84.6	Confident	80.9	Confident	25 Å²	25	44.6 Å²	44.6	11%	0.11	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	134.9	174.2	177	-95.6	0	0	0	109.3	T829 L832 E833 V836 H848 A862 A863 I864	T829-F846 HydrophobicContact CG2-CE1 4.06Å; T829-F846 HydrophobicContact CG2-CZ 3.89Å; L832-F846 HydrophobicContact CB-CE2 4.34Å; L832-F846 HydrophobicContact CD2-CE2 3.69Å; L832-F846 HydrophobicContact CD2-CZ 4.36Å; L832-F846 HydrophobicContact CG-CD2 4.36Å; L832-F846 HydrophobicContact CG-CE2 3.68Å; L832-F846 HydrophobicContact CG-CZ 4.45Å; E833-F846 HydrophobicContact CB-CD1 3.48Å; E833-F846 VanDerWaalsContact CB-CD1 3.48Å; E833-F846 HydrophobicContact CB-CD2 4.4Å; E833-F846 HydrophobicContact CB-CE1 3.58Å; E833-F846 HydrophobicContact CB-CE2 4.48Å; E833-F846 HydrophobicContact CB-CG 3.91Å; E833-F846 HydrophobicContact CB-CZ 4.09Å; E833-F846 HydrophobicContact CG-CB 4.21Å; E833-F846 HydrophobicContact CG-CD1 3.43Å; E833-F846 VanDerWaalsContact CG-CD1 3.43Å; E833-F846 HydrophobicContact CG-CE1 3.98Å; E833-F846 HydrophobicContact CG-CG 3.94Å; V836-F846 HydrophobicContact CB-CB 4.5Å; V836-F846 HydrophobicContact CG1-CB 4.05Å; V836-F846 HydrophobicContact CG2-CD2 4.4Å; F846-H848 HydrophobicContact CE1-CB 4.08Å; F846-H848 HydrophobicContact CZ-CB 4.37Å; F846-A862 HydrophobicContact CD2-CB 4.37Å; F846-A862 HydrophobicContact CE2-CB 3.5Å; F846-A862 VanDerWaalsContact CE2-CB 3.5Å; F846-A862 HydrophobicContact CZ-CB 3.86Å; F846-A863 WeakPolarHBondContact CA-O 3.46Å; F846-I864 HydrophobicContact CD2-CG1 4.41Å
847	Q	81.3	Confident	81.3	Confident	42 Å²	42	49 Å²	49	20%	0.196	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	121.5	170.7	-171.8	-177.4	7.2	0	0	110	G462 A862 A863	G462-Q847 PolarHBondContact O-NE2 2.86Å; G462-Q847 PolarHBondContact O-OE1 2.93Å; Q847-A862 CarbonylContact O-C 3.41Å; Q847-A862 VanDerWaalsContact O-CA 3.31Å; Q847-A862 WeakPolarHBondContact O-CA 3.42Å; Q847-A863 HydrophobicContact CB-CB 4.2Å; Q847-A863 PolarHBondContact N-O 3.29Å; Q847-A863 PolarHBondContact O-N 2.88Å
848	H	84.5	Confident	81.9	Confident	11 Å²	11	45 Å²	45	5%	0.051	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	124.8	171.7	-178.4	-163.2	0	0	0	109.8	T829 F846 G850 L860 F916 E952	T829-H848 HydrophobicContact CG2-CB 4.02Å; F846-H848 HydrophobicContact CE1-CB 4.08Å; F846-H848 HydrophobicContact CZ-CB 4.37Å; H848-G850 PolarHBondContact CD2-N 3.08Å; H848-G850 PolarHBondContact CD2-O 3.28Å; H848-G850 PolarHBondContact NE2-O 3.18Å; H848-L860 VanDerWaalsContact CD2-CD1 3.45Å; H848-L860 WeakPolarHBondContact CD2-CD1 3.37Å; H848-L860 WeakPolarHBondContact NE2-CD1 3.28Å; H848-F916 HydrophobicContact CB-CE1 4.26Å; H848-F916 AromaticContact CE1-CZ 3.44Å; H848-F916 VanDerWaalsContact CE1-CZ 3.44Å; H848-F916 WeakPolarHBondContact CE1-CZ 3.44Å; H848-F916 AromaticContact CG-CE1 3.83Å; H848-F916 AromaticContact ND1-CE1 3.59Å; H848-F916 AromaticContact ND1-CZ 3.32Å; H848-F916 VanDerWaalsContact ND1-CZ 3.32Å; H848-F916 WeakPolarHBondContact ND1-CZ 3.17Å; H848-E952 IonicContact CE1-OE1 2.96Å
849	I	80	Confident	82.6	Confident	45 Å²	45	41.4 Å²	41.4	23%	0.231	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	-34	-175.9	-57.4	-173.1	0	0	0	111.3	L464 K861 A863 W918 I980	L464-I849 HydrophobicContact CD1-CD1 4.41Å; I849-K861 HydrophobicContact CB-CB 4.31Å; I849-K861 WeakPolarHBondContact CB-O 3.48Å; I849-K861 PolarHBondContact N-O 2.98Å; I849-A863 HydrophobicContact CD1-CB 4.15Å; I849-W918 WeakPolarHBondContact O-CZ2 3.4Å; I849-I980 HydrophobicContact CD1-CB 4.25Å; I849-I980 HydrophobicContact CD1-CD1 3.47Å; I849-I980 VanDerWaalsContact CD1-CD1 3.47Å; I849-I980 HydrophobicContact CD1-CG1 3.52Å; I849-I980 HydrophobicContact CD1-CG2 3.82Å
850	G	84.3	Confident	83.8	Confident	21 Å²	21	38.5 Å²	38.5	22%	0.216	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.2	-166.2	176.9	0	0	0	0	0	111.9	H848 K861	H848-G850 PolarHBondContact CD2-N 3.08Å; H848-G850 PolarHBondContact CD2-O 3.28Å; H848-G850 PolarHBondContact NE2-O 3.18Å; G850-K861 PolarHBondContact N-O 3.48Å; G850-K861 PolarHBondContact O-N 3.5Å
851	G	89.9	Confident	85.5	Confident	19 Å²	19	40.7 Å²	40.7	20%	0.196	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.4	174.8	179.7	0	0	0	0	0	110.7	T859	G851-T859 CarbonylContact C-O 3.55Å; G851-T859 WeakPolarHBondContact CA-O 3.44Å
852	T	95	Very high	87.1	Confident	48 Å²	48	37.4 Å²	37.4	29%	0.294	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	140.5	174.1	61.2	0	0	0	0	110.3	G745 H854 F858 T859	G745-T852 CarbonylContact O-C 3.48Å; G745-T852 WeakPolarHBondContact O-CA 3.43Å; T852-H854 WeakPolarHBondContact CB-NE2 3.32Å; T852-H854 PolarHBondContact OG1-CD2 3.48Å; T852-H854 PolarHBondContact OG1-NE2 2.95Å; T852-F858 CarbonylContact O-C 3.51Å; T852-F858 WeakPolarHBondContact O-CA 3.44Å; T852-F858 WeakPolarHBondContact O-CB 3.31Å; T852-T859 PolarHBondContact N-O 3.41Å; T852-T859 PolarHBondContact N-OG1 2.89Å; T852-T859 VanDerWaalsContact N-OG1 3.14Å; T852-T859 PolarHBondContact O-N 3.38Å; T852-T859 PolarHBondContact OG1-OG1 3.44Å
853	S	96	Very high	88.4	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	111.5	179.2	-70.2	0	0	0	0	109.3	G745 D747 S821 H822 Q825	G745-S853 PolarHBondContact O-N 3.15Å; D747-S853 PolarHBondContact N-O 3.45Å; S821-S853 WeakPolarHBondContact OG-CA 3.46Å; H822-S853 WeakPolarHBondContact CA-OG 3.26Å; Q825-S853 PolarHBondContact OE1-OG 3.07Å
854	H	96.5	Very high	89.4	Confident	32 Å²	32	27.4 Å²	27.4	15%	0.148	15%	0.146	C	C	.	.			trans	-111.2	166.6	176.9	-55.8	-80.6	0	0	0	110.4	D747 S821 T852 N856 Y857	D747-H854 IonicContact OD1-CE1 2.69Å; D747-H854 PolarHBondContact OD1-CE1 3.02Å; D747-H854 IonicContact OD1-ND1 3.46Å; D747-H854 PolarHBondContact OD1-ND1 2.86Å; D747-H854 IonicContact OD2-CE1 3.14Å; D747-H854 IonicContact OD2-CG 3.51Å; D747-H854 IonicContact OD2-ND1 2.82Å; D747-H854 PolarHBondContact OD2-ND1 2.76Å; S821-H854 WeakPolarHBondContact CB-O 3.1Å; S821-H854 PolarHBondContact OG-N 2.65Å; S821-H854 PolarHBondContact OG-O 3.07Å; T852-H854 WeakPolarHBondContact CB-NE2 3.32Å; T852-H854 PolarHBondContact OG1-CD2 3.48Å; T852-H854 PolarHBondContact OG1-NE2 2.95Å; H854-N856 VanDerWaalsContact C-N 3.29Å; H854-N856 PolarHBondContact O-N 2.91Å; H854-Y857 CarbonylContact C-O 3.59Å; H854-Y857 WeakPolarHBondContact CA-O 3.47Å; H854-Y857 HydrophobicContact CB-CD1 4.07Å; H854-Y857 HydrophobicContact CB-CE1 3.83Å; H854-Y857 HydrophobicContact CB-CE2 4.31Å; H854-Y857 HydrophobicContact CB-CG 4.4Å; H854-Y857 VanDerWaalsContact CB-O 3.26Å; H854-Y857 WeakPolarHBondContact CB-O 3.25Å; H854-Y857 AromaticContact CD2-CD2 3.82Å; H854-Y857 AromaticContact CD2-CE2 3.12Å; H854-Y857 WeakPolarHBondContact CD2-CE2 3.32Å; H854-Y857 AromaticContact CD2-CZ 3.25Å; H854-Y857 PolarHBondContact CD2-OH 3.04Å; H854-Y857 AromaticContact CG-CE1 3.96Å; H854-Y857 AromaticContact CG-CE2 3.87Å; H854-Y857 AromaticContact CG-CZ 3.56Å; H854-Y857 PolarHBondContact N-O 3.02Å; H854-Y857 AromaticContact NE2-CE2 3.79Å; H854-Y857 AromaticContact NE2-CZ 3.84Å; H854-Y857 PolarHBondContact NE2-OH 2.87Å
855	P	94.7	Very high	89.5	Confident	21 Å²	21	27 Å²	27	14%	0.136	14%	0.144	C	C	.	.	S	Bend	trans	-63.5	-27.5	-176.9	-22.7	32.5	0	0	0	114.9	R814 N817 L818 F987	R814-P855 HydrophobicContact CG-CB 4.48Å; R814-P855 HydrophobicContact CG-CG 4Å; N817-P855 HydrophobicContact CB-CB 4.3Å; N817-P855 WeakPolarHBondContact CB-O 3.18Å; L818-P855 HydrophobicContact CD2-CG 4.14Å; L818-P855 HydrophobicContact CG-CG 4.45Å; P855-F987 VanDerWaalsContact O-CZ 3.24Å; P855-F987 WeakPolarHBondContact O-CZ 3.1Å
856	N	94.3	Very high	89.5	Confident	103 Å²	103	26.8 Å²	26.8	55%	0.551	14%	0.142	S	C	*	.	S	Bend	trans	-115.9	-8.7	-176.1	-62.4	-20.9	0	0	0	113.3	H854	H854-N856 VanDerWaalsContact C-N 3.29Å; H854-N856 PolarHBondContact O-N 2.91Å
857	Y	97.2	Very high	89.1	Confident	94 Å²	94	26.8 Å²	26.8	37%	0.369	15%	0.146	S	C	.	.			trans	-158.2	161	-178.5	69.4	-85.7	0	0	0	110.6	S821 H854 T859 T984 C985	S821-Y857 PolarHBondContact OG-O 2.81Å; S821-Y857 VanDerWaalsContact OG-O 3.1Å; H854-Y857 CarbonylContact C-O 3.59Å; H854-Y857 WeakPolarHBondContact CA-O 3.47Å; H854-Y857 HydrophobicContact CB-CD1 4.07Å; H854-Y857 HydrophobicContact CB-CE1 3.83Å; H854-Y857 HydrophobicContact CB-CE2 4.31Å; H854-Y857 HydrophobicContact CB-CG 4.4Å; H854-Y857 VanDerWaalsContact CB-O 3.26Å; H854-Y857 WeakPolarHBondContact CB-O 3.25Å; H854-Y857 AromaticContact CD2-CD2 3.82Å; H854-Y857 AromaticContact CD2-CE2 3.12Å; H854-Y857 WeakPolarHBondContact CD2-CE2 3.32Å; H854-Y857 AromaticContact CD2-CZ 3.25Å; H854-Y857 PolarHBondContact CD2-OH 3.04Å; H854-Y857 AromaticContact CG-CE1 3.96Å; H854-Y857 AromaticContact CG-CE2 3.87Å; H854-Y857 AromaticContact CG-CZ 3.56Å; H854-Y857 PolarHBondContact N-O 3.02Å; H854-Y857 AromaticContact NE2-CE2 3.79Å; H854-Y857 AromaticContact NE2-CZ 3.84Å; H854-Y857 PolarHBondContact NE2-OH 2.87Å; Y857-T859 HydrophobicContact CD2-CG2 4.17Å; Y857-T859 HydrophobicContact CE2-CG2 3.99Å; Y857-T984 HydrophobicContact CD2-CG2 3.97Å; Y857-C985 CarbonylContact C-O 3.55Å; Y857-C985 WeakPolarHBondContact CA-O 3Å; Y857-C985 VanDerWaalsContact CB-O 3.26Å; Y857-C985 WeakPolarHBondContact CB-O 2.92Å
858	F	98.2	Very high	89	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	160	163.8	59.8	-92.9	0	0	0	110.6	S821 Q825 F828 T852 I968 C985 F987	S821-F858 WeakPolarHBondContact OG-CB 3.13Å; Q825-F858 HydrophobicContact CB-CD2 4.04Å; Q825-F858 HydrophobicContact CB-CE2 4.49Å; Q825-F858 HydrophobicContact CB-CG 4.28Å; Q825-F858 HydrophobicContact CG-CD2 4.24Å; F828-F858 HydrophobicContact CB-CE2 3.85Å; F828-F858 HydrophobicContact CB-CZ 3.93Å; F828-F858 HydrophobicContact CD1-CE2 4.11Å; F828-F858 AromaticContact CG-CE2 3.92Å; F828-F858 HydrophobicContact CG-CE2 3.92Å; F828-F858 HydrophobicContact CG-CZ 4.19Å; T852-F858 CarbonylContact O-C 3.51Å; T852-F858 WeakPolarHBondContact O-CA 3.44Å; T852-F858 WeakPolarHBondContact O-CB 3.31Å; F858-I968 HydrophobicContact CE1-CG2 4.33Å; F858-I968 HydrophobicContact CZ-CD1 4.25Å; F858-I968 HydrophobicContact CZ-CG2 3.93Å; F858-C985 HydrophobicContact CD1-CB 4.3Å; F858-C985 HydrophobicContact CD2-CB 4.05Å; F858-C985 HydrophobicContact CE1-CB 3.8Å; F858-C985 HydrophobicContact CE2-CB 3.52Å; F858-C985 HydrophobicContact CG-CB 4.41Å; F858-C985 HydrophobicContact CZ-CB 3.37Å; F858-C985 PolarHBondContact N-O 2.75Å; F858-C985 PolarHBondContact O-N 3.15Å; F858-F987 AromaticContact CD1-CD1 3.76Å; F858-F987 HydrophobicContact CD1-CD1 3.76Å; F858-F987 HydrophobicContact CD1-CE1 4.27Å; F858-F987 HydrophobicContact CE1-CD1 4.11Å
859	T	97.7	Very high	88.9	Confident	10 Å²	10	24.5 Å²	24.5	6%	0.061	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	144.3	169.3	72.8	0	0	0	0	110.6	G851 T852 Y857 F983	G851-T859 CarbonylContact C-O 3.55Å; G851-T859 WeakPolarHBondContact CA-O 3.44Å; T852-T859 PolarHBondContact N-O 3.41Å; T852-T859 PolarHBondContact N-OG1 2.89Å; T852-T859 VanDerWaalsContact N-OG1 3.14Å; T852-T859 PolarHBondContact O-N 3.38Å; T852-T859 PolarHBondContact OG1-OG1 3.44Å; Y857-T859 HydrophobicContact CD2-CG2 4.17Å; Y857-T859 HydrophobicContact CE2-CG2 3.99Å; T859-F983 CarbonylContact C-O 3.49Å; T859-F983 WeakPolarHBondContact CA-O 3.5Å; T859-F983 WeakPolarHBondContact CB-O 2.78Å
860	L	95.5	Very high	88.7	Confident	0 Å²	0	26 Å²	26	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	124.8	170.5	-175.7	73.5	0	0	0	109.7	Q825 F828 T829 L832 H848 A862 E982 F983	Q825-L860 HydrophobicContact CG-CD1 4.14Å; F828-L860 HydrophobicContact CD1-CB 4.08Å; F828-L860 HydrophobicContact CD1-CD2 3.55Å; F828-L860 HydrophobicContact CD1-CG 4.4Å; F828-L860 HydrophobicContact CE1-CB 4.18Å; F828-L860 HydrophobicContact CE1-CD2 3.79Å; T829-L860 HydrophobicContact CG2-CD1 4.33Å; T829-L860 HydrophobicContact CG2-CD2 4.35Å; T829-L860 WeakPolarHBondContact OG1-CD1 2.95Å; L832-L860 HydrophobicContact CD2-CD2 3.75Å; H848-L860 VanDerWaalsContact CD2-CD1 3.45Å; H848-L860 WeakPolarHBondContact CD2-CD1 3.37Å; H848-L860 WeakPolarHBondContact NE2-CD1 3.28Å; L860-A862 HydrophobicContact CD2-CB 4.45Å; L860-E982 CarbonylContact O-C 3.55Å; L860-E982 VanDerWaalsContact O-CA 3.31Å; L860-E982 WeakPolarHBondContact O-CA 3.46Å; L860-F983 HydrophobicContact CB-CB 4.42Å; L860-F983 PolarHBondContact N-O 3.32Å; L860-F983 PolarHBondContact O-N 3.2Å
861	K	91.2	Very high	88.3	Confident	85 Å²	85	28.1 Å²	28.1	37%	0.37	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	117.2	169.7	-73.6	176.9	-178.1	163.5	0	109.8	I849 G850 K981 E982	I849-K861 HydrophobicContact CB-CB 4.31Å; I849-K861 WeakPolarHBondContact CB-O 3.48Å; I849-K861 PolarHBondContact N-O 2.98Å; G850-K861 PolarHBondContact N-O 3.48Å; G850-K861 PolarHBondContact O-N 3.5Å; K861-K981 WeakPolarHBondContact CA-O 3.27Å; K861-E982 WeakPolarHBondContact CE-OE1 3.27Å; K861-E982 VanDerWaalsContact CE-OE2 3.32Å; K861-E982 WeakPolarHBondContact CE-OE2 3.16Å; K861-E982 HydrophobicContact CG-CB 3.92Å; K861-E982 HydrophobicContact CG-CG 3.92Å; K861-E982 IonicContact NZ-OE1 3.24Å; K861-E982 PolarHBondContact NZ-OE1 3.13Å; K861-E982 IonicContact NZ-OE2 3.71Å
862	A	90.2	Very high	88	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	145	178.9	0	0	0	0	0	111.2	L832 F846 Q847 L860 K981	L832-A862 HydrophobicContact CD2-CB 4.17Å; F846-A862 HydrophobicContact CD2-CB 4.37Å; F846-A862 HydrophobicContact CE2-CB 3.5Å; F846-A862 VanDerWaalsContact CE2-CB 3.5Å; F846-A862 HydrophobicContact CZ-CB 3.86Å; Q847-A862 CarbonylContact O-C 3.41Å; Q847-A862 VanDerWaalsContact O-CA 3.31Å; Q847-A862 WeakPolarHBondContact O-CA 3.42Å; L860-A862 HydrophobicContact CD2-CB 4.45Å; A862-K981 PolarHBondContact N-O 3.2Å; A862-K981 PolarHBondContact O-N 3.5Å
863	A	84.3	Confident	87.3	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	129.2	165.1	0	0	0	0	0	110.2	L464 F846 Q847 I849 I865 T979 I980	L464-A863 HydrophobicContact CD1-CB 3.1Å; F846-A863 WeakPolarHBondContact CA-O 3.46Å; Q847-A863 HydrophobicContact CB-CB 4.2Å; Q847-A863 PolarHBondContact N-O 3.29Å; Q847-A863 PolarHBondContact O-N 2.88Å; I849-A863 HydrophobicContact CD1-CB 4.15Å; A863-I865 HydrophobicContact CB-CD1 4.33Å; A863-I865 HydrophobicContact CB-CG1 4.48Å; A863-T979 VanDerWaalsContact CA-O 3.25Å; A863-T979 WeakPolarHBondContact CA-O 3.43Å; A863-T979 HydrophobicContact CB-CG2 4.24Å; A863-I980 HydrophobicContact CB-CG1 4.47Å
864	I	87	Confident	86.6	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	110.9	174.8	-59.2	175.3	0	0	0	105.7	L832 V836 F846 A868 S869 M872 T979 K981 F983	L832-I864 HydrophobicContact CD1-CD1 3.93Å; L832-I864 HydrophobicContact CD2-CD1 4.38Å; L832-I864 HydrophobicContact CG-CD1 4.49Å; V836-I864 HydrophobicContact CG1-CG2 4.09Å; V836-I864 HydrophobicContact CG2-CD1 4.03Å; V836-I864 HydrophobicContact CG2-CG1 4.05Å; V836-I864 HydrophobicContact CG2-CG2 3.85Å; F846-I864 HydrophobicContact CD2-CG1 4.41Å; I864-A868 HydrophobicContact CG2-CB 3.99Å; I864-S869 WeakPolarHBondContact O-CB 3.34Å; I864-S869 PolarHBondContact O-OG 3.43Å; I864-M872 HydrophobicContact CD1-SD 4.05Å; I864-T979 PolarHBondContact N-O 3.05Å; I864-K981 HydrophobicContact CB-CD 4.05Å; I864-K981 HydrophobicContact CD1-CD 3.79Å; I864-K981 HydrophobicContact CG1-CD 4.15Å; I864-F983 HydrophobicContact CD1-CE2 4.11Å; I864-F983 HydrophobicContact CD1-CZ 4Å
865	I	79.5	Confident	86.1	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	148.8	-168.7	-61.3	151.3	0	0	0	109.5	L464 L540 Q544 I548 S844 A845 A863 T979	L464-I865 HydrophobicContact CD1-CD1 4.38Å; L464-I865 HydrophobicContact CD2-CD1 4.39Å; L540-I865 HydrophobicContact CD2-CD1 3.75Å; Q544-I865 HydrophobicContact CB-CG2 4.22Å; Q544-I865 HydrophobicContact CG-CG2 4.35Å; I548-I865 HydrophobicContact CD1-CD1 3.83Å; I548-I865 HydrophobicContact CD1-CG1 4.12Å; I548-I865 HydrophobicContact CD1-CG2 4.19Å; I548-I865 HydrophobicContact CG1-CD1 4.24Å; I548-I865 HydrophobicContact CG1-CG1 3.96Å; I548-I865 HydrophobicContact CG1-CG2 3.82Å; S844-I865 VanDerWaalsContact CA-O 3.25Å; S844-I865 WeakPolarHBondContact CA-O 3.2Å; S844-I865 WeakPolarHBondContact CB-O 3.3Å; A845-I865 HydrophobicContact CB-CB 4.09Å; A845-I865 HydrophobicContact CB-CD1 3.95Å; A845-I865 PolarHBondContact N-O 3.45Å; A845-I865 PolarHBondContact O-N 3.5Å; A863-I865 HydrophobicContact CB-CD1 4.33Å; A863-I865 HydrophobicContact CB-CG1 4.48Å; I865-T979 HydrophobicContact CD1-CG2 4.34Å; I865-T979 HydrophobicContact CG1-CG2 3.46Å; I865-T979 VanDerWaalsContact CG1-CG2 3.46Å
866	G	76.7	Confident	85.8	Confident	6 Å²	6	38.1 Å²	38.1	6%	0.062	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	79	-152.5	174	0	0	0	0	0	113.6	A868 S869 E870	G866-A868 PolarHBondContact O-N 3.39Å; G866-A868 VanDerWaalsContact O-N 3.15Å; G866-S869 VanDerWaalsContact O-CB 3.26Å; G866-S869 WeakPolarHBondContact O-CB 3.39Å; G866-S869 PolarHBondContact O-N 3.45Å; G866-E870 PolarHBondContact O-N 3.2Å
867	S	77.1	Confident	85.7	Confident	26 Å²	26	33.8 Å²	33.8	18%	0.182	17%	0.167	C	C	.	.	H	α-helix	trans	-57.9	-31.7	-172.7	59.1	0	0	0	0	113.5	S844 S869 E870 L871	S844-S867 PolarHBondContact OG-N 3.31Å; S844-S867 PolarHBondContact OG-OG 2.96Å; S867-S869 VanDerWaalsContact C-N 3.28Å; S867-S869 PolarHBondContact O-N 3.35Å; S867-E870 PolarHBondContact O-N 2.83Å; S867-L871 WeakPolarHBondContact O-CG 3.26Å; S867-L871 PolarHBondContact O-N 3.5Å
868	A	79.6	Confident	85.4	Confident	1 Å²	1	32 Å²	32	1%	0.008	16%	0.164	C	C	.	.	H	α-helix	trans	-63.3	-32.1	174.6	0	0	0	0	0	113.2	V836 S844 I864 G866 E870 M872	V836-A868 HydrophobicContact CB-CB 4.36Å; V836-A868 HydrophobicContact CG1-CB 3.76Å; S844-A868 PolarHBondContact OG-N 2.92Å; I864-A868 HydrophobicContact CG2-CB 3.99Å; G866-A868 PolarHBondContact O-N 3.39Å; G866-A868 VanDerWaalsContact O-N 3.15Å; A868-E870 VanDerWaalsContact C-N 3.35Å; A868-M872 WeakPolarHBondContact O-CB 3.15Å; A868-M872 PolarHBondContact O-N 2.88Å; A868-M872 VanDerWaalsContact O-N 3.15Å
869	S	81.3	Confident	85.1	Confident	3 Å²	3	32.1 Å²	32.1	2%	0.021	16%	0.164	C	C	.	.	H	α-helix	trans	-65.6	-42.6	173.9	-167	0	0	0	0	111	E551 I864 G866 S867 M872 Q873 K981	E551-S869 PolarHBondContact OE1-OG 3.14Å; I864-S869 WeakPolarHBondContact O-CB 3.34Å; I864-S869 PolarHBondContact O-OG 3.43Å; G866-S869 VanDerWaalsContact O-CB 3.26Å; G866-S869 WeakPolarHBondContact O-CB 3.39Å; G866-S869 PolarHBondContact O-N 3.45Å; S867-S869 VanDerWaalsContact C-N 3.28Å; S867-S869 PolarHBondContact O-N 3.35Å; S869-M872 PolarHBondContact O-N 3.05Å; S869-Q873 VanDerWaalsContact O-CG 3.31Å; S869-Q873 WeakPolarHBondContact O-CG 2.99Å; S869-Q873 PolarHBondContact O-N 3.41Å; S869-Q873 VanDerWaalsContact O-N 3.08Å; S869-Q873 PolarHBondContact OG-NE2 2.83Å; S869-K981 PolarHBondContact OG-NZ 3.36Å
870	E	75.9	Confident	84.9	Confident	77 Å²	77	31.6 Å²	31.6	36%	0.36	16%	0.161	S	C	.	.	H	α-helix	trans	-66.7	-48.5	-179	-53.4	-170.3	152.5	0	0	111	K499 G866 S867 A868 M872 Q873 E874	K499-E870 IonicContact NZ-OE1 3.35Å; K499-E870 PolarHBondContact NZ-OE1 3.44Å; K499-E870 IonicContact NZ-OE2 2.75Å; K499-E870 PolarHBondContact NZ-OE2 3.04Å; G866-E870 PolarHBondContact O-N 3.2Å; S867-E870 PolarHBondContact O-N 2.83Å; A868-E870 VanDerWaalsContact C-N 3.35Å; E870-M872 VanDerWaalsContact C-N 3.26Å; E870-M872 PolarHBondContact O-N 3.49Å; E870-Q873 CarbonylContact O-C 3.57Å; E870-Q873 WeakPolarHBondContact O-CA 3.46Å; E870-Q873 WeakPolarHBondContact O-CB 3.45Å; E870-Q873 PolarHBondContact O-N 3.29Å; E870-E874 WeakPolarHBondContact O-CG 3.4Å; E870-E874 PolarHBondContact O-N 3.33Å
871	L	77.3	Confident	84.9	Confident	65 Å²	65	36.3 Å²	36.3	34%	0.34	18%	0.179	S	C	.	.	H	α-helix	trans	-57.8	-38.9	175.8	-70.8	169.1	0	0	0	112.3	R839 S867 Q873 E874 D875	R839-L871 HydrophobicContact CB-CD1 4.09Å; S867-L871 WeakPolarHBondContact O-CG 3.26Å; S867-L871 PolarHBondContact O-N 3.5Å; L871-Q873 VanDerWaalsContact C-N 3.29Å; L871-Q873 PolarHBondContact O-N 3.19Å; L871-E874 PolarHBondContact O-N 2.83Å; L871-D875 PolarHBondContact O-N 3.46Å
872	M	83.8	Confident	85.1	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-67.5	-30.8	175.5	-166.5	-159.6	84.4	0	0	112.3	I864 A868 S869 E870 L876 F879 R976 K981 F983	I864-M872 HydrophobicContact CD1-SD 4.05Å; A868-M872 WeakPolarHBondContact O-CB 3.15Å; A868-M872 PolarHBondContact O-N 2.88Å; A868-M872 VanDerWaalsContact O-N 3.15Å; S869-M872 PolarHBondContact O-N 3.05Å; E870-M872 VanDerWaalsContact C-N 3.26Å; E870-M872 PolarHBondContact O-N 3.49Å; M872-L876 HydrophobicContact CE-CD1 4.12Å; M872-L876 HydrophobicContact CG-CD1 3.84Å; M872-L876 VanDerWaalsContact O-CA 3.26Å; M872-L876 WeakPolarHBondContact O-CA 3.36Å; M872-L876 WeakPolarHBondContact O-CB 3.39Å; M872-L876 PolarHBondContact O-N 2.79Å; M872-L876 HydrophobicContact SD-CD1 4.31Å; M872-F879 HydrophobicContact CB-CD2 3.92Å; M872-F879 HydrophobicContact CB-CE2 4.19Å; M872-F879 HydrophobicContact CB-CG 4.11Å; M872-F879 HydrophobicContact CG-CB 4.14Å; M872-F879 HydrophobicContact CG-CD1 3.62Å; M872-F879 HydrophobicContact CG-CD2 3.9Å; M872-F879 HydrophobicContact CG-CE1 3.93Å; M872-F879 HydrophobicContact CG-CE2 4.2Å; M872-F879 HydrophobicContact CG-CG 3.61Å; M872-F879 HydrophobicContact CG-CZ 4.21Å; M872-F879 HydrophobicContact SD-CD1 4.32Å; M872-F879 HydrophobicContact SD-CE1 4.14Å; M872-F879 HydrophobicContact SD-CZ 4.48Å; M872-R976 WeakPolarHBondContact CE-O 3.49Å; M872-K981 HydrophobicContact CE-CD 3.45Å; M872-K981 VanDerWaalsContact CE-CD 3.45Å; M872-K981 HydrophobicContact CE-CG 4.05Å; M872-K981 HydrophobicContact SD-CD 3.67Å; M872-F983 HydrophobicContact SD-CZ 4.19Å
873	Q	79.3	Confident	85.4	Confident	77 Å²	77	35.3 Å²	35.3	36%	0.36	18%	0.176	S	C	.	.	H	α-helix	trans	-78.9	-33.2	176.7	-72	174.6	27.9	0	0	112.1	E551 S869 E870 L871 R976	E551-Q873 PolarHBondContact OE1-NE2 3.09Å; S869-Q873 VanDerWaalsContact O-CG 3.31Å; S869-Q873 WeakPolarHBondContact O-CG 2.99Å; S869-Q873 PolarHBondContact O-N 3.41Å; S869-Q873 VanDerWaalsContact O-N 3.08Å; S869-Q873 PolarHBondContact OG-NE2 2.83Å; E870-Q873 CarbonylContact O-C 3.57Å; E870-Q873 WeakPolarHBondContact O-CA 3.46Å; E870-Q873 WeakPolarHBondContact O-CB 3.45Å; E870-Q873 PolarHBondContact O-N 3.29Å; L871-Q873 VanDerWaalsContact C-N 3.29Å; L871-Q873 PolarHBondContact O-N 3.19Å; Q873-R976 WeakPolarHBondContact CG-O 3.27Å; Q873-R976 PolarHBondContact NE2-O 2.87Å
874	E	81.1	Confident	86	Confident	148 Å²	148	35.6 Å²	35.6	69%	0.692	18%	0.177	S	C	*	.	H	α-helix	trans	-66	-48.9	176.6	-74.5	176.8	176.4	0	0	111.8	E870 L871	E870-E874 WeakPolarHBondContact O-CG 3.4Å; E870-E874 PolarHBondContact O-N 3.33Å; L871-E874 PolarHBondContact O-N 2.83Å
875	D	86.4	Confident	86.4	Confident	88 Å²	88	40.6 Å²	40.6	47%	0.471	20%	0.2	S	C	.	.			trans	-138.8	83.9	175.9	-165.4	-18.2	0	0	0	111.8	L871 G877 D878 F879	L871-D875 PolarHBondContact O-N 3.46Å; D875-G877 PolarHBondContact O-N 3.23Å; D875-G877 PolarHBondContact OD1-N 3.38Å; D875-G877 VanDerWaalsContact OD1-N 3.14Å; D875-D878 HydrophobicContact CB-CB 4.14Å; D875-D878 VanDerWaalsContact CG-CB 3.43Å; D875-D878 PolarHBondContact OD1-N 3.01Å; D875-D878 WeakPolarHBondContact OD2-CB 2.78Å; D875-F879 WeakPolarHBondContact O-CB 3.37Å; D875-F879 PolarHBondContact O-N 2.88Å
876	L	89.2	Confident	87.2	Confident	17 Å²	17	43.2 Å²	43.2	9%	0.089	21%	0.212	C	C	.	.	H	α-helix	trans	-64.8	-30.9	177.3	-177	60.6	0	0	0	112.2	M872 T880 V973 R976 L1041 L1045	M872-L876 HydrophobicContact CE-CD1 4.12Å; M872-L876 HydrophobicContact CG-CD1 3.84Å; M872-L876 VanDerWaalsContact O-CA 3.26Å; M872-L876 WeakPolarHBondContact O-CA 3.36Å; M872-L876 WeakPolarHBondContact O-CB 3.39Å; M872-L876 PolarHBondContact O-N 2.79Å; M872-L876 HydrophobicContact SD-CD1 4.31Å; L876-T880 HydrophobicContact CD1-CG2 4.02Å; L876-T880 HydrophobicContact CG-CG2 4.43Å; L876-T880 WeakPolarHBondContact O-CB 3.49Å; L876-T880 WeakPolarHBondContact O-CG2 3.4Å; L876-T880 PolarHBondContact O-N 3.4Å; L876-T880 PolarHBondContact O-OG1 3.07Å; L876-V973 HydrophobicContact CD1-CG2 4.4Å; L876-R976 HydrophobicContact CD2-CG 3.89Å; L876-L1041 HydrophobicContact CD2-CD2 3.97Å; L876-L1041 HydrophobicContact CG-CD2 4.24Å; L876-L1045 HydrophobicContact CB-CD1 3.96Å; L876-L1045 HydrophobicContact CD2-CD1 4.15Å; L876-L1045 HydrophobicContact CG-CD1 3.98Å
877	G	90.9	Very high	88.1	Confident	11 Å²	11	42.9 Å²	42.9	11%	0.113	21%	0.209	C	C	.	.	H	α-helix	trans	-66.9	-51.6	-179.6	0	0	0	0	0	111	D875 T880 R881 Y1042	D875-G877 PolarHBondContact O-N 3.23Å; D875-G877 PolarHBondContact OD1-N 3.38Å; D875-G877 VanDerWaalsContact OD1-N 3.14Å; G877-T880 PolarHBondContact O-N 2.85Å; G877-T880 PolarHBondContact O-OG1 2.97Å; G877-T880 VanDerWaalsContact O-OG1 3.07Å; G877-R881 WeakPolarHBondContact O-CB 3.5Å; G877-R881 PolarHBondContact O-N 3.44Å; G877-Y1042 VanDerWaalsContact O-CB 3.25Å; G877-Y1042 WeakPolarHBondContact O-CB 3.39Å
878	D	91.1	Very high	89	Confident	58 Å²	58	44.5 Å²	44.5	31%	0.31	21%	0.213	S	C	.	.	H	α-helix	trans	-61.3	-45.2	174.7	176.2	67.1	0	0	0	111.9	R839 D875 T880 R881 Q882	R839-D878 IonicContact NH2-OD2 3.95Å; R839-D878 PolarHBondContact NH2-OD2 2.72Å; D875-D878 HydrophobicContact CB-CB 4.14Å; D875-D878 VanDerWaalsContact CG-CB 3.43Å; D875-D878 PolarHBondContact OD1-N 3.01Å; D875-D878 WeakPolarHBondContact OD2-CB 2.78Å; D878-T880 PolarHBondContact O-N 2.82Å; D878-R881 PolarHBondContact O-N 2.63Å; D878-Q882 WeakPolarHBondContact O-CG 3.47Å; D878-Q882 PolarHBondContact O-N 2.94Å; D878-Q882 PolarHBondContact OD1-NE2 2.79Å; D878-Q882 PolarHBondContact OD2-NE2 2.84Å
879	F	91.6	Very high	89.7	Confident	1 Å²	1	50.8 Å²	50.8	0%	0.004	24%	0.24	C	C	.	.	H	α-helix	trans	-57.5	-47.8	179.5	-176.4	-83.3	0	0	0	112.1	L832 L835 V836 M872 D875 L883 F983	L832-F879 HydrophobicContact CD1-CE1 3.79Å; L832-F879 HydrophobicContact CD1-CZ 3.68Å; L835-F879 HydrophobicContact CD2-CD2 4.32Å; L835-F879 HydrophobicContact CD2-CE1 4.29Å; L835-F879 HydrophobicContact CD2-CE2 3.96Å; L835-F879 HydrophobicContact CD2-CZ 3.94Å; L835-F879 HydrophobicContact CG-CE2 4.29Å; V836-F879 HydrophobicContact CG2-CZ 4.24Å; M872-F879 HydrophobicContact CB-CD2 3.92Å; M872-F879 HydrophobicContact CB-CE2 4.19Å; M872-F879 HydrophobicContact CB-CG 4.11Å; M872-F879 HydrophobicContact CG-CB 4.14Å; M872-F879 HydrophobicContact CG-CD1 3.62Å; M872-F879 HydrophobicContact CG-CD2 3.9Å; M872-F879 HydrophobicContact CG-CE1 3.93Å; M872-F879 HydrophobicContact CG-CE2 4.2Å; M872-F879 HydrophobicContact CG-CG 3.61Å; M872-F879 HydrophobicContact CG-CZ 4.21Å; M872-F879 HydrophobicContact SD-CD1 4.32Å; M872-F879 HydrophobicContact SD-CE1 4.14Å; M872-F879 HydrophobicContact SD-CZ 4.48Å; D875-F879 WeakPolarHBondContact O-CB 3.37Å; D875-F879 PolarHBondContact O-N 2.88Å; F879-L883 HydrophobicContact CE1-CD2 4.27Å; F879-L883 WeakPolarHBondContact O-CB 3.48Å; F879-L883 PolarHBondContact O-N 2.59Å; F879-L883 VanDerWaalsContact O-N 3.09Å; F879-F983 HydrophobicContact CE1-CE1 4.48Å; F879-F983 HydrophobicContact CE1-CZ 4.44Å
880	T	95	Very high	90.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-67.8	-41	-179.7	48.2	0	0	0	0	111.9	L876 G877 D878 Q882 L883 E884 I970 V973 L1041	L876-T880 HydrophobicContact CD1-CG2 4.02Å; L876-T880 HydrophobicContact CG-CG2 4.43Å; L876-T880 WeakPolarHBondContact O-CB 3.49Å; L876-T880 WeakPolarHBondContact O-CG2 3.4Å; L876-T880 PolarHBondContact O-N 3.4Å; L876-T880 PolarHBondContact O-OG1 3.07Å; G877-T880 PolarHBondContact O-N 2.85Å; G877-T880 PolarHBondContact O-OG1 2.97Å; G877-T880 VanDerWaalsContact O-OG1 3.07Å; D878-T880 PolarHBondContact O-N 2.82Å; T880-Q882 PolarHBondContact O-N 2.93Å; T880-L883 WeakPolarHBondContact O-CB 3.25Å; T880-L883 PolarHBondContact O-N 2.77Å; T880-E884 WeakPolarHBondContact O-CG 3.24Å; T880-E884 PolarHBondContact O-N 3.49Å; T880-I970 HydrophobicContact CG2-CD1 3.94Å; T880-I970 HydrophobicContact CG2-CG2 4.14Å; T880-V973 HydrophobicContact CG2-CG2 4.22Å; T880-L1041 HydrophobicContact CG2-CD2 4.25Å
881	R	95.4	Very high	91.1	Very high	98 Å²	98	48.1 Å²	48.1	37%	0.37	23%	0.228	S	C	.	.	H	α-helix	trans	-60.7	-44.8	175.7	-169.5	177.7	-170.1	177.7	4.9	112.6	G877 D878 L883 E884 Q885 Y1042	G877-R881 WeakPolarHBondContact O-CB 3.5Å; G877-R881 PolarHBondContact O-N 3.44Å; D878-R881 PolarHBondContact O-N 2.63Å; R881-L883 VanDerWaalsContact C-N 3.29Å; R881-L883 PolarHBondContact O-N 2.68Å; R881-E884 PolarHBondContact O-N 2.97Å; R881-Q885 WeakPolarHBondContact O-CB 3.19Å; R881-Q885 VanDerWaalsContact O-CG 3.26Å; R881-Q885 WeakPolarHBondContact O-CG 3.49Å; R881-Q885 PolarHBondContact O-N 2.91Å; R881-Y1042 HydrophobicContact CB-CD1 4.26Å; R881-Y1042 HydrophobicContact CB-CD2 4.4Å; R881-Y1042 HydrophobicContact CB-CG 3.95Å; R881-Y1042 HydrophobicContact CG-CD1 4.36Å; R881-Y1042 HydrophobicContact CG-CD2 4.25Å; R881-Y1042 HydrophobicContact CG-CG 4.18Å
882	Q	94.6	Very high	91.9	Very high	65 Å²	65	50.8 Å²	50.8	30%	0.304	24%	0.243	S	C	.	.	H	α-helix	trans	-66	-34.5	177.7	-71	-171	29.8	0	0	112.2	D878 T880 K886	D878-Q882 WeakPolarHBondContact O-CG 3.47Å; D878-Q882 PolarHBondContact O-N 2.94Å; D878-Q882 PolarHBondContact OD1-NE2 2.79Å; D878-Q882 PolarHBondContact OD2-NE2 2.84Å; T880-Q882 PolarHBondContact O-N 2.93Å; Q882-K886 WeakPolarHBondContact O-CB 3.04Å; Q882-K886 PolarHBondContact O-N 3.16Å
883	L	95.7	Very high	92.1	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-66.6	-45.9	175.5	-176.8	54.4	0	0	0	111.8	F828 A831 L832 L835 F879 T880 R881 K886 C887 I970 F983	F828-L883 HydrophobicContact CD2-CD2 4.47Å; F828-L883 HydrophobicContact CD2-CG 4.44Å; F828-L883 HydrophobicContact CE1-CD2 4.27Å; F828-L883 HydrophobicContact CE2-CD2 3.53Å; F828-L883 HydrophobicContact CE2-CG 3.78Å; F828-L883 HydrophobicContact CZ-CD2 3.4Å; F828-L883 VanDerWaalsContact CZ-CD2 3.4Å; F828-L883 HydrophobicContact CZ-CG 4.18Å; A831-L883 HydrophobicContact CB-CD1 3.82Å; L832-L883 HydrophobicContact CB-CD1 4.08Å; L832-L883 HydrophobicContact CB-CD2 4.18Å; L832-L883 HydrophobicContact CD1-CD2 3.72Å; L832-L883 HydrophobicContact CG-CD2 4.44Å; L835-L883 HydrophobicContact CD2-CB 3.93Å; L835-L883 HydrophobicContact CD2-CD1 4.28Å; F879-L883 HydrophobicContact CE1-CD2 4.27Å; F879-L883 WeakPolarHBondContact O-CB 3.48Å; F879-L883 PolarHBondContact O-N 2.59Å; F879-L883 VanDerWaalsContact O-N 3.09Å; T880-L883 WeakPolarHBondContact O-CB 3.25Å; T880-L883 PolarHBondContact O-N 2.77Å; R881-L883 VanDerWaalsContact C-N 3.29Å; R881-L883 PolarHBondContact O-N 2.68Å; L883-K886 WeakPolarHBondContact O-CB 3.07Å; L883-K886 PolarHBondContact O-N 3.2Å; L883-C887 PolarHBondContact O-N 3.26Å; L883-I970 HydrophobicContact CB-CD1 4.1Å; L883-I970 HydrophobicContact CD2-CD1 3.83Å; L883-I970 HydrophobicContact CG-CD1 4.08Å; L883-F983 HydrophobicContact CD2-CE1 4.5Å
884	E	97.3	Very high	92.3	Very high	5 Å²	5	53.4 Å²	53.4	2%	0.023	26%	0.257	C	S	.	.	H	α-helix	trans	-58.8	-47.5	173.8	-71.7	169.8	-178.9	0	0	111.3	T880 R881 K886 C887 Q888 I970 H995 Y1042	T880-E884 WeakPolarHBondContact O-CG 3.24Å; T880-E884 PolarHBondContact O-N 3.49Å; R881-E884 PolarHBondContact O-N 2.97Å; E884-K886 VanDerWaalsContact C-N 3.26Å; E884-K886 PolarHBondContact O-N 2.72Å; E884-C887 WeakPolarHBondContact O-CB 3.39Å; E884-C887 PolarHBondContact O-N 2.77Å; E884-C887 VanDerWaalsContact O-N 3.12Å; E884-Q888 PolarHBondContact O-N 2.83Å; E884-I970 HydrophobicContact CG-CB 4.48Å; E884-I970 HydrophobicContact CG-CD1 3.87Å; E884-I970 HydrophobicContact CG-CG1 3.84Å; E884-I970 WeakPolarHBondContact OE1-CA 3.22Å; E884-I970 WeakPolarHBondContact OE1-CB 3.27Å; E884-I970 PolarHBondContact OE1-N 3.05Å; E884-H995 IonicContact OE2-NE2 2.85Å; E884-H995 PolarHBondContact OE2-NE2 3.23Å; E884-Y1042 WeakPolarHBondContact OE2-CD1 3.4Å; E884-Y1042 WeakPolarHBondContact OE2-CE1 3.44Å
885	Q	96.2	Very high	92.5	Very high	105 Å²	105	46.5 Å²	46.5	49%	0.491	23%	0.225	S	C	.	.	H	α-helix	trans	-57.8	-38.9	175.8	-74.4	172.8	-12.8	0	0	112.6	R881 Q888 K889	R881-Q885 WeakPolarHBondContact O-CB 3.19Å; R881-Q885 VanDerWaalsContact O-CG 3.26Å; R881-Q885 WeakPolarHBondContact O-CG 3.49Å; R881-Q885 PolarHBondContact O-N 2.91Å; Q885-Q888 PolarHBondContact O-N 2.76Å; Q885-K889 WeakPolarHBondContact O-CB 3.46Å; Q885-K889 PolarHBondContact O-N 2.88Å
886	K	95.6	Very high	92.7	Very high	55 Å²	55	44.6 Å²	44.6	24%	0.239	21%	0.212	C	C	.	.	H	α-helix	trans	-67.4	-42.9	176.8	-170.5	167.8	-173.7	166.9	0	111.6	A831 S834 Q882 L883 E884 K889 L890	A831-K886 HydrophobicContact CB-CD 4.37Å; A831-K886 HydrophobicContact CB-CG 4.22Å; S834-K886 VanDerWaalsContact CB-NZ 3.27Å; S834-K886 PolarHBondContact OG-NZ 2.98Å; Q882-K886 WeakPolarHBondContact O-CB 3.04Å; Q882-K886 PolarHBondContact O-N 3.16Å; L883-K886 WeakPolarHBondContact O-CB 3.07Å; L883-K886 PolarHBondContact O-N 3.2Å; E884-K886 VanDerWaalsContact C-N 3.26Å; E884-K886 PolarHBondContact O-N 2.72Å; K886-K889 PolarHBondContact O-N 3.46Å; K886-L890 WeakPolarHBondContact O-CG 3.41Å; K886-L890 PolarHBondContact O-N 3.04Å; K886-L890 VanDerWaalsContact O-N 3.15Å
887	C	96.3	Very high	92.8	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-59.6	-48	172.7	-72.2	0	0	0	0	111.2	L883 E884 K889 L890 I891 I968	L883-C887 PolarHBondContact O-N 3.26Å; E884-C887 WeakPolarHBondContact O-CB 3.39Å; E884-C887 PolarHBondContact O-N 2.77Å; E884-C887 VanDerWaalsContact O-N 3.12Å; C887-K889 VanDerWaalsContact C-N 3.34Å; C887-K889 PolarHBondContact O-N 2.77Å; C887-L890 PolarHBondContact O-N 3.3Å; C887-L890 VanDerWaalsContact O-N 3.13Å; C887-I891 WeakPolarHBondContact O-CG1 3.15Å; C887-I891 PolarHBondContact O-N 3.34Å; C887-I968 HydrophobicContact CB-CB 4.47Å; C887-I968 HydrophobicContact CB-CD1 4.19Å
888	Q	95.4	Very high	92.6	Very high	59 Å²	59	44.5 Å²	44.5	28%	0.276	21%	0.211	S	C	.	.	H	α-helix	trans	-64.8	-37.7	-178.6	-166	143.2	41.2	0	0	112.5	E884 Q885 L890 I891 N892 D967	E884-Q888 PolarHBondContact O-N 2.83Å; Q885-Q888 PolarHBondContact O-N 2.76Å; Q888-L890 PolarHBondContact O-N 2.91Å; Q888-I891 PolarHBondContact O-N 3.05Å; Q888-N892 WeakPolarHBondContact O-CB 3.1Å; Q888-N892 PolarHBondContact O-N 3.03Å; Q888-N892 PolarHBondContact O-ND2 3.1Å; Q888-D967 PolarHBondContact NE2-OD1 3.33Å; Q888-D967 VanDerWaalsContact NE2-OD1 3.09Å; Q888-D967 PolarHBondContact NE2-OD2 2.9Å
889	K	94.5	Very high	92.4	Very high	133 Å²	133	44.3 Å²	44.3	58%	0.578	21%	0.209	S	C	*	.	H	α-helix	trans	-57.2	-48.6	171.2	-175.9	-178.1	176.3	-176.7	0	111.5	Q885 K886 C887 I891 N892 E893	Q885-K889 WeakPolarHBondContact O-CB 3.46Å; Q885-K889 PolarHBondContact O-N 2.88Å; K886-K889 PolarHBondContact O-N 3.46Å; C887-K889 VanDerWaalsContact C-N 3.34Å; C887-K889 PolarHBondContact O-N 2.77Å; K889-I891 PolarHBondContact O-N 3.2Å; K889-N892 PolarHBondContact O-N 3.03Å; K889-E893 WeakPolarHBondContact CE-OE1 3.38Å; K889-E893 WeakPolarHBondContact O-CG 3.16Å; K889-E893 PolarHBondContact O-N 3.23Å
890	L	93	Very high	92	Very high	22 Å²	22	44.9 Å²	44.9	12%	0.115	21%	0.211	C	C	.	.	H	α-helix	trans	-66.2	-36.1	180	-67.1	168.6	0	0	0	112.4	L827 A831 K886 C887 Q888 E893 I949 L962	L827-L890 HydrophobicContact CD1-CB 3.78Å; L827-L890 HydrophobicContact CD1-CD1 3.63Å; L827-L890 HydrophobicContact CD1-CG 4.33Å; A831-L890 HydrophobicContact CB-CD1 4.35Å; K886-L890 WeakPolarHBondContact O-CG 3.41Å; K886-L890 PolarHBondContact O-N 3.04Å; K886-L890 VanDerWaalsContact O-N 3.15Å; C887-L890 PolarHBondContact O-N 3.3Å; C887-L890 VanDerWaalsContact O-N 3.13Å; Q888-L890 PolarHBondContact O-N 2.91Å; L890-E893 PolarHBondContact O-N 3Å; L890-I949 HydrophobicContact CD1-CG2 4.28Å; L890-I949 HydrophobicContact CD2-CD1 4.09Å; L890-I949 HydrophobicContact CD2-CG1 4.44Å; L890-I949 HydrophobicContact CD2-CG2 4.49Å; L890-L962 HydrophobicContact CB-CD2 4.33Å; L890-L962 WeakPolarHBondContact O-CD2 3.4Å
891	I	94.3	Very high	91.5	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.015	24%	0.235	C	C	.	.	H	α-helix	trans	-61.8	-44.9	173.1	-67.2	166.3	0	0	0	110.6	L827 C887 Q888 K889 E893 N894 L962 L965 I968	L827-I891 HydrophobicContact CD2-CD1 4.11Å; L827-I891 HydrophobicContact CD2-CG1 3.62Å; C887-I891 WeakPolarHBondContact O-CG1 3.15Å; C887-I891 PolarHBondContact O-N 3.34Å; Q888-I891 PolarHBondContact O-N 3.05Å; K889-I891 PolarHBondContact O-N 3.2Å; I891-E893 VanDerWaalsContact C-N 3.32Å; I891-E893 PolarHBondContact O-N 2.9Å; I891-N894 WeakPolarHBondContact O-CA 3.43Å; I891-N894 PolarHBondContact O-N 3.15Å; I891-L962 HydrophobicContact CB-CD2 4.49Å; I891-L962 HydrophobicContact CG1-CD2 4.05Å; I891-L965 HydrophobicContact CD1-CD2 4.01Å; I891-L965 HydrophobicContact CD1-CG 4.29Å; I891-L965 HydrophobicContact CG1-CD2 4.35Å; I891-I968 HydrophobicContact CD1-CD1 4.44Å; I891-I968 HydrophobicContact CD1-CG1 4.16Å
892	N	92.4	Very high	90.7	Very high	121 Å²	121	45.5 Å²	45.5	65%	0.647	22%	0.222	S	C	*	.	H	α-helix	trans	-70.1	-26.2	-179.1	-67.8	-20.9	0	0	0	113.5	Q888 K889 N894	Q888-N892 WeakPolarHBondContact O-CB 3.1Å; Q888-N892 PolarHBondContact O-N 3.03Å; Q888-N892 PolarHBondContact O-ND2 3.1Å; K889-N892 PolarHBondContact O-N 3.03Å; N892-N894 PolarHBondContact O-N 3.19Å
893	E	89.2	Confident	90.2	Very high	85 Å²	85	46.9 Å²	46.9	40%	0.397	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-10.9	170.9	-73	174.4	-170.3	0	0	112.5	K889 L890 I891	K889-E893 WeakPolarHBondContact CE-OE1 3.38Å; K889-E893 WeakPolarHBondContact O-CG 3.16Å; K889-E893 PolarHBondContact O-N 3.23Å; L890-E893 PolarHBondContact O-N 3Å; I891-E893 VanDerWaalsContact C-N 3.32Å; I891-E893 PolarHBondContact O-N 2.9Å
894	N	83.8	Confident	89.4	Confident	48 Å²	48	47.3 Å²	47.3	26%	0.257	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	60.1	179.9	-164.1	32.2	0	0	0	114.7	I891 N892 E961 S963	I891-N894 WeakPolarHBondContact O-CA 3.43Å; I891-N894 PolarHBondContact O-N 3.15Å; N892-N894 PolarHBondContact O-N 3.19Å; N894-E961 PolarHBondContact ND2-OE2 3.21Å; N894-S963 WeakPolarHBondContact OD1-CB 3.27Å; N894-S963 PolarHBondContact OD1-N 3.14Å; N894-S963 PolarHBondContact OD1-OG 3.42Å
895	G	84.6	Confident	88.4	Confident	2 Å²	2	49.3 Å²	49.3	2%	0.021	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-61.7	156.9	171.9	0	0	0	0	0	113.7	T931 L962	G895-T931 CarbonylContact C-O 3.38Å; G895-T931 WeakPolarHBondContact CA-O 3.43Å; G895-L962 PolarHBondContact O-N 2.94Å
896	F	90.2	Very high	87.6	Confident	48 Å²	48	47.9 Å²	47.9	21%	0.211	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	142.3	176.5	-60.7	-84.9	0	0	0	110.5	I930 T931 E933 K934 E961	F896-I930 WeakPolarHBondContact O-CA 3.17Å; F896-T931 PolarHBondContact N-O 2.89Å; F896-T931 PolarHBondContact O-N 3.18Å; F896-T931 PolarHBondContact O-OG1 2.79Å; F896-E933 VanDerWaalsContact CD2-C 3.47Å; F896-K934 HydrophobicContact CD1-CB 4.11Å; F896-K934 HydrophobicContact CD1-CD 4.13Å; F896-K934 HydrophobicContact CD1-CG 4Å; F896-K934 HydrophobicContact CD2-CB 3.82Å; F896-K934 VanDerWaalsContact CD2-N 3.31Å; F896-K934 HydrophobicContact CE1-CB 4.16Å; F896-K934 HydrophobicContact CE1-CD 3.99Å; F896-K934 HydrophobicContact CE1-CG 4.25Å; F896-K934 HydrophobicContact CE2-CB 3.87Å; F896-K934 HydrophobicContact CG-CB 3.94Å; F896-K934 HydrophobicContact CG-CG 4.15Å; F896-K934 HydrophobicContact CZ-CB 4.03Å; F896-K934 HydrophobicContact CZ-CD 4.49Å; F896-E961 HydrophobicContact CD1-CG 4.12Å; F896-E961 HydrophobicContact CE1-CG 4.29Å
897	I	91.7	Very high	86.9	Confident	13 Å²	13	45.2 Å²	45.2	7%	0.067	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	119.5	170.4	-60.8	86.9	0	0	0	108.2	T823 I899 V928 C929 I930 H958 L959 F960 L962	T823-I897 HydrophobicContact CG2-CD1 4.08Å; T823-I897 HydrophobicContact CG2-CG1 4Å; I897-I899 HydrophobicContact CG2-CG1 4.45Å; I897-V928 HydrophobicContact CG2-CG1 4Å; I897-C929 CarbonylContact C-O 3.48Å; I897-C929 VanDerWaalsContact CA-O 3.26Å; I897-C929 WeakPolarHBondContact CA-O 3.31Å; I897-I930 HydrophobicContact CG1-CG1 4.35Å; I897-H958 HydrophobicContact CG2-CB 4.05Å; I897-L959 WeakPolarHBondContact CB-O 3.35Å; I897-L959 HydrophobicContact CD1-CB 4.18Å; I897-L959 WeakPolarHBondContact CG1-O 3.41Å; I897-L959 VanDerWaalsContact CG2-O 3.31Å; I897-L959 WeakPolarHBondContact CG2-O 3.35Å; I897-F960 VanDerWaalsContact CD1-C 3.47Å; I897-F960 PolarHBondContact N-O 3.2Å; I897-L962 HydrophobicContact CD1-CD1 4.04Å
898	S	86.2	Confident	85.8	Confident	14 Å²	14	48 Å²	48	10%	0.098	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	142.6	179.8	-56.2	0	0	0	0	110.3	C929 F937	S898-C929 PolarHBondContact N-O 2.94Å; S898-C929 PolarHBondContact O-N 3.45Å; S898-F937 WeakPolarHBondContact OG-CE2 3.33Å
899	I	86.9	Confident	84.7	Confident	54 Å²	54	53.3 Å²	53.3	28%	0.277	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	130.8	-176.8	-50.8	174.8	0	0	0	108.9	I897 R926 T927 V928 H958	I897-I899 HydrophobicContact CG2-CG1 4.45Å; I899-R926 VanDerWaalsContact CD1-NH2 3.33Å; I899-R926 HydrophobicContact CG2-CB 4.36Å; I899-R926 HydrophobicContact CG2-CG 3.91Å; I899-T927 WeakPolarHBondContact CA-O 3.21Å; I899-V928 HydrophobicContact CD1-CG2 4.35Å; I899-V928 HydrophobicContact CG1-CG1 4.43Å; I899-V928 HydrophobicContact CG1-CG2 4.14Å; I899-V928 HydrophobicContact CG2-CG2 4.3Å; I899-H958 HydrophobicContact CD1-CB 4.46Å
900	W	83.7	Confident	83.9	Confident	13 Å²	13	48.2 Å²	48.2	5%	0.049	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	160	172.9	69.7	99	0	0	0	111	T902 T927 C929 F937 L942	W900-T902 HydrophobicContact CG-CG2 4.4Å; W900-T927 HydrophobicContact CH2-CG2 3.61Å; W900-T927 HydrophobicContact CZ2-CG2 3.41Å; W900-T927 VanDerWaalsContact CZ2-CG2 3.41Å; W900-T927 HydrophobicContact CZ3-CG2 4.34Å; W900-T927 PolarHBondContact N-O 3.15Å; W900-T927 PolarHBondContact O-N 3.09Å; W900-C929 HydrophobicContact CH2-CB 4Å; W900-C929 WeakPolarHBondContact CH2-SG 3.37Å; W900-C929 HydrophobicContact CZ3-CB 3.63Å; W900-C929 WeakPolarHBondContact CZ3-SG 3.39Å; W900-F937 HydrophobicContact CB-CD1 4.49Å; W900-F937 HydrophobicContact CD2-CD1 4.11Å; W900-F937 AromaticContact CD2-CE1 3.96Å; W900-F937 HydrophobicContact CD2-CE1 3.96Å; W900-F937 AromaticContact CE3-CD1 3.84Å; W900-F937 HydrophobicContact CE3-CD1 3.84Å; W900-F937 AromaticContact CE3-CE1 3.38Å; W900-F937 HydrophobicContact CE3-CE1 3.38Å; W900-F937 AromaticContact CE3-CZ 3.86Å; W900-F937 HydrophobicContact CE3-CZ 3.86Å; W900-F937 HydrophobicContact CG-CD1 4.38Å; W900-F937 HydrophobicContact CH2-CE1 4.23Å; W900-F937 HydrophobicContact CZ3-CD1 4.41Å; W900-F937 AromaticContact CZ3-CE1 3.51Å; W900-F937 HydrophobicContact CZ3-CE1 3.51Å; W900-F937 AromaticContact CZ3-CZ 3.75Å; W900-F937 HydrophobicContact CZ3-CZ 3.75Å; W900-L942 HydrophobicContact CH2-CD1 3.14Å; W900-L942 HydrophobicContact CH2-CG 4.46Å; W900-L942 HydrophobicContact CZ2-CD1 3.88Å; W900-L942 HydrophobicContact CZ3-CD1 3.54Å
901	N	85	Confident	83	Confident	94 Å²	94	54.2 Å²	54.2	50%	0.503	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	132.7	179	-63.6	-49.4	0	0	0	109.5	V925 R926	N901-V925 CarbonylContact C-O 3.59Å; N901-V925 VanDerWaalsContact CA-O 3.31Å; N901-V925 WeakPolarHBondContact CA-O 3.31Å; N901-R926 WeakPolarHBondContact OD1-CG 3.48Å
902	T	79.1	Confident	82.5	Confident	17 Å²	17	59.1 Å²	59.1	10%	0.104	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	166.2	175.5	68.4	0	0	0	0	111	W900 K924 V925	W900-T902 HydrophobicContact CG-CG2 4.4Å; T902-K924 CarbonylContact O-C 3.6Å; T902-K924 WeakPolarHBondContact O-CA 3.4Å; T902-V925 PolarHBondContact N-O 2.92Å; T902-V925 PolarHBondContact O-N 3.45Å; T902-V925 WeakPolarHBondContact OG1-CG2 3.33Å
903	E	82.7	Confident	82.1	Confident	94 Å²	94	53.8 Å²	53.8	44%	0.439	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	131.9	164.3	-63.6	-61.8	147	0	0	109.4	A905 H906 A907 A923 K924	E903-A905 PolarHBondContact O-N 2.87Å; E903-H906 WeakPolarHBondContact O-CA 3.26Å; E903-H906 WeakPolarHBondContact O-CB 3.13Å; E903-H906 PolarHBondContact O-N 2.91Å; E903-A907 PolarHBondContact O-N 3.35Å; E903-A923 CarbonylContact C-O 3.6Å; E903-A923 WeakPolarHBondContact CA-O 3.49Å; E903-K924 WeakPolarHBondContact OE1-CE 3.28Å; E903-K924 WeakPolarHBondContact OE1-CG 3.32Å
904	L	79.9	Confident	81.9	Confident	9 Å²	9	51.8 Å²	51.8	5%	0.047	25%	0.254	C	S	.	.	H	α-helix	trans	-52.4	-41.4	179.2	176	65.4	0	0	0	111.6	I129 H906 A907 I908 Y921 S922 A923 V925 L953	I129-L904 HydrophobicContact CD1-CD2 4.01Å; I129-L904 HydrophobicContact CG1-CD2 3.99Å; I129-L904 HydrophobicContact CG2-CD2 4.25Å; L904-H906 PolarHBondContact O-N 2.99Å; L904-A907 PolarHBondContact O-N 3.13Å; L904-A907 VanDerWaalsContact O-N 3.15Å; L904-I908 HydrophobicContact CD1-CG2 3.65Å; L904-I908 HydrophobicContact CG-CG2 4.19Å; L904-I908 WeakPolarHBondContact O-CG1 3.46Å; L904-I908 WeakPolarHBondContact O-CG2 3.38Å; L904-I908 PolarHBondContact O-N 2.95Å; L904-Y921 HydrophobicContact CD1-CD2 4.38Å; L904-Y921 HydrophobicContact CD1-CG 4.17Å; L904-S922 WeakPolarHBondContact CB-O 3.36Å; L904-A923 WeakPolarHBondContact CB-O 3.49Å; L904-A923 PolarHBondContact N-O 3.17Å; L904-V925 HydrophobicContact CB-CG1 4.05Å; L904-V925 HydrophobicContact CB-CG2 4.43Å; L904-V925 HydrophobicContact CD1-CG1 3.98Å; L904-L953 HydrophobicContact CD1-CD1 3.81Å
905	A	75.2	Confident	81.8	Confident	46 Å²	46	52 Å²	52	38%	0.38	25%	0.252	S	S	.	.	H	α-helix	trans	-60.1	-26.6	178.9	0	0	0	0	0	113.2	E903 K909	E903-A905 PolarHBondContact O-N 2.87Å; A905-K909 WeakPolarHBondContact O-CD 3.4Å; A905-K909 WeakPolarHBondContact O-CE 3.34Å; A905-K909 WeakPolarHBondContact O-CG 3.34Å
906	H	79.7	Confident	81.3	Confident	75 Å²	75	52.9 Å²	52.9	35%	0.347	26%	0.255	S	S	.	.	H	α-helix	trans	-83.6	-49.9	172	-175.6	102.4	0	0	0	110.5	E903 L904 I908 K909 E941	E903-H906 WeakPolarHBondContact O-CA 3.26Å; E903-H906 WeakPolarHBondContact O-CB 3.13Å; E903-H906 PolarHBondContact O-N 2.91Å; L904-H906 PolarHBondContact O-N 2.99Å; H906-I908 VanDerWaalsContact C-N 3.33Å; H906-I908 PolarHBondContact O-N 3.26Å; H906-K909 WeakPolarHBondContact O-CB 3.45Å; H906-K909 PolarHBondContact O-N 3.08Å; H906-E941 IonicContact CE1-OE1 2.75Å; H906-E941 PolarHBondContact CE1-OE1 2.84Å; H906-E941 IonicContact NE2-OE1 3.65Å
907	A	80.3	Confident	79.7	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-55.5	-43.8	-175.9	0	0	0	0	0	113.8	E903 L904 K909 V910 I913 V925 L953	E903-A907 PolarHBondContact O-N 3.35Å; L904-A907 PolarHBondContact O-N 3.13Å; L904-A907 VanDerWaalsContact O-N 3.15Å; A907-K909 PolarHBondContact O-N 3.33Å; A907-K909 VanDerWaalsContact O-N 3.13Å; A907-V910 PolarHBondContact O-N 3.04Å; A907-V910 VanDerWaalsContact O-N 3.08Å; A907-I913 HydrophobicContact CB-CD1 4.46Å; A907-V925 HydrophobicContact CB-CG2 4.06Å; A907-L953 HydrophobicContact CB-CD1 4.33Å; A907-L953 HydrophobicContact CB-CD2 3.95Å
908	I	74.8	Confident	78.3	Confident	58 Å²	58	54.1 Å²	54.1	30%	0.297	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-15.4	-178.5	64.7	-178.6	0	0	0	114.1	L904 H906 Y915	L904-I908 HydrophobicContact CD1-CG2 3.65Å; L904-I908 HydrophobicContact CG-CG2 4.19Å; L904-I908 WeakPolarHBondContact O-CG1 3.46Å; L904-I908 WeakPolarHBondContact O-CG2 3.38Å; L904-I908 PolarHBondContact O-N 2.95Å; H906-I908 VanDerWaalsContact C-N 3.33Å; H906-I908 PolarHBondContact O-N 3.26Å; I908-Y915 HydrophobicContact CB-CE1 3.98Å; I908-Y915 HydrophobicContact CB-CE2 4.47Å; I908-Y915 HydrophobicContact CG2-CD1 4.33Å; I908-Y915 HydrophobicContact CG2-CD2 4.22Å; I908-Y915 HydrophobicContact CG2-CE1 3.99Å; I908-Y915 HydrophobicContact CG2-CE2 3.86Å; I908-Y915 HydrophobicContact CG2-CG 4.41Å
909	K	72.2	Confident	77.3	Confident	171 Å²	171	56.6 Å²	56.6	74%	0.743	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-18.2	177	-64.3	178.4	-178.9	178.2	0	112.3	A905 H906 A907 K911	A905-K909 WeakPolarHBondContact O-CD 3.4Å; A905-K909 WeakPolarHBondContact O-CE 3.34Å; A905-K909 WeakPolarHBondContact O-CG 3.34Å; H906-K909 WeakPolarHBondContact O-CB 3.45Å; H906-K909 PolarHBondContact O-N 3.08Å; A907-K909 PolarHBondContact O-N 3.33Å; A907-K909 VanDerWaalsContact O-N 3.13Å; K909-K911 PolarHBondContact O-N 3Å
910	V	77	Confident	76.2	Confident	25 Å²	25	58.4 Å²	58.4	15%	0.152	28%	0.281	C	S	.	.			trans	-85.7	111.8	-179.3	-176.1	0	0	0	0	109.3	A907 Q912 I913 F945	A907-V910 PolarHBondContact O-N 3.04Å; A907-V910 VanDerWaalsContact O-N 3.08Å; V910-Q912 PolarHBondContact O-N 3.3Å; V910-I913 HydrophobicContact CB-CB 4.37Å; V910-I913 HydrophobicContact CB-CD1 3.77Å; V910-I913 HydrophobicContact CB-CG1 3.93Å; V910-I913 HydrophobicContact CG1-CD1 3.95Å; V910-I913 HydrophobicContact CG1-CG1 3.79Å; V910-I913 HydrophobicContact CG2-CD1 4.09Å; V910-I913 PolarHBondContact O-N 2.74Å; V910-I913 VanDerWaalsContact O-N 3.14Å; V910-F945 HydrophobicContact CG1-CE1 3.94Å; V910-F945 HydrophobicContact CG1-CE2 3.77Å; V910-F945 HydrophobicContact CG1-CZ 3.39Å
911	K	75.4	Confident	75.8	Confident	149 Å²	149	59.9 Å²	59.9	65%	0.648	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-30.3	-175	-97.1	-166.5	165.1	-158.8	0	114.2	D538 K909	D538-K911 IonicContact OD1-NZ 3.33Å; D538-K911 PolarHBondContact OD1-NZ 3.05Å; D538-K911 WeakPolarHBondContact OD2-CE 3.33Å; D538-K911 IonicContact OD2-NZ 2.87Å; K909-K911 PolarHBondContact O-N 3Å
912	Q	81.7	Confident	75.2	Confident	106 Å²	106	56.8 Å²	56.8	50%	0.495	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-20.2	-177.2	-63.3	78.2	11.6	0	0	112.9	V910 R914 F945	V910-Q912 PolarHBondContact O-N 3.3Å; Q912-R914 PolarHBondContact O-N 2.9Å; Q912-F945 HydrophobicContact CB-CD1 3.51Å; Q912-F945 HydrophobicContact CB-CE1 3.9Å; Q912-F945 HydrophobicContact CB-CG 4.17Å; Q912-F945 HydrophobicContact CG-CB 4.03Å; Q912-F945 HydrophobicContact CG-CD1 3.85Å; Q912-F945 HydrophobicContact CG-CG 4Å
913	I	84.6	Confident	74.9	Confident	9 Å²	9	57.6 Å²	57.6	5%	0.046	28%	0.281	C	S	.	.	S	Bend	trans	-81.8	111.9	179.5	-61.6	177.8	0	0	0	108.7	A907 V910 T927 F945 A951 L953	A907-I913 HydrophobicContact CB-CD1 4.46Å; V910-I913 HydrophobicContact CB-CB 4.37Å; V910-I913 HydrophobicContact CB-CD1 3.77Å; V910-I913 HydrophobicContact CB-CG1 3.93Å; V910-I913 HydrophobicContact CG1-CD1 3.95Å; V910-I913 HydrophobicContact CG1-CG1 3.79Å; V910-I913 HydrophobicContact CG2-CD1 4.09Å; V910-I913 PolarHBondContact O-N 2.74Å; V910-I913 VanDerWaalsContact O-N 3.14Å; I913-T927 HydrophobicContact CD1-CG2 3.99Å; I913-T927 HydrophobicContact CG1-CG2 4.21Å; I913-T927 HydrophobicContact CG2-CG2 4.11Å; I913-F945 HydrophobicContact CG1-CE1 4.44Å; I913-A951 HydrophobicContact CG1-CB 4.19Å; I913-L953 HydrophobicContact CG2-CD2 3.82Å; I913-L953 HydrophobicContact CG2-CG 3.9Å
914	R	85.4	Confident	74.9	Confident	42 Å²	42	59.9 Å²	59.9	16%	0.158	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-70.9	132.3	173.1	-168.2	-177.6	-60.7	131.9	-3.3	109.7	T829 E833 Q912 A951 E952 L953	T829-R914 VanDerWaalsContact CG2-NH1 3.33Å; E833-R914 IonicContact OE2-CZ 3.3Å; E833-R914 IonicContact OE2-NH2 3.33Å; E833-R914 PolarHBondContact OE2-NH2 3.22Å; Q912-R914 PolarHBondContact O-N 2.9Å; R914-A951 WeakPolarHBondContact CB-O 3.45Å; R914-A951 PolarHBondContact N-O 3.22Å; R914-E952 HydrophobicContact CB-CB 4.28Å; R914-E952 HydrophobicContact CB-CG 4.08Å; R914-E952 HydrophobicContact CG-CG 4.47Å; R914-E952 IonicContact NH1-OE2 3.71Å; R914-E952 PolarHBondContact NH1-OE2 3.43Å; R914-E952 CarbonylContact O-C 3.31Å; R914-E952 VanDerWaalsContact O-CA 3.3Å; R914-E952 WeakPolarHBondContact O-CA 3.37Å; R914-L953 PolarHBondContact O-N 2.98Å
915	Y	82.2	Confident	75.2	Confident	53 Å²	53	59.8 Å²	59.8	21%	0.208	29%	0.289	C	S	.	.			trans	-145.6	156.4	167.7	71	-81.7	0	0	0	109.2	K536 I908 P917 Y921 L953	K536-Y915 WeakPolarHBondContact CE-OH 3.35Å; K536-Y915 PolarHBondContact NZ-OH 3.29Å; I908-Y915 HydrophobicContact CB-CE1 3.98Å; I908-Y915 HydrophobicContact CB-CE2 4.47Å; I908-Y915 HydrophobicContact CG2-CD1 4.33Å; I908-Y915 HydrophobicContact CG2-CD2 4.22Å; I908-Y915 HydrophobicContact CG2-CE1 3.99Å; I908-Y915 HydrophobicContact CG2-CE2 3.86Å; I908-Y915 HydrophobicContact CG2-CG 4.41Å; Y915-P917 HydrophobicContact CE2-CB 4.32Å; Y915-P917 WeakPolarHBondContact O-CD 3.44Å; Y915-Y921 HydrophobicContact CD2-CE2 4.43Å; Y915-L953 HydrophobicContact CG-CD1 4.47Å
916	F	74.3	Confident	75.9	Confident	20 Å²	20	59.9 Å²	59.9	9%	0.088	28%	0.28	C	S	.	.			trans	-98.5	108.3	-179.6	-58.4	-68.8	0	0	0	108.8	H848 W918 E919 Y921 E952	H848-F916 HydrophobicContact CB-CE1 4.26Å; H848-F916 AromaticContact CE1-CZ 3.44Å; H848-F916 VanDerWaalsContact CE1-CZ 3.44Å; H848-F916 WeakPolarHBondContact CE1-CZ 3.44Å; H848-F916 AromaticContact CG-CE1 3.83Å; H848-F916 AromaticContact ND1-CE1 3.59Å; H848-F916 AromaticContact ND1-CZ 3.32Å; H848-F916 VanDerWaalsContact ND1-CZ 3.32Å; H848-F916 WeakPolarHBondContact ND1-CZ 3.17Å; F916-W918 HydrophobicContact CB-CD2 4.2Å; F916-W918 HydrophobicContact CB-CZ2 3.93Å; F916-W918 AromaticContact CD1-CE2 3.96Å; F916-W918 AromaticContact CD1-CH2 3.85Å; F916-W918 HydrophobicContact CD1-CH2 3.85Å; F916-W918 AromaticContact CD1-CZ2 3.32Å; F916-W918 HydrophobicContact CD1-CZ2 3.32Å; F916-W918 HydrophobicContact CE1-CZ2 4.22Å; F916-W918 AromaticContact CG-CZ2 3.97Å; F916-W918 HydrophobicContact CG-CZ2 3.97Å; F916-W918 PolarHBondContact O-N 2.91Å; F916-E919 HydrophobicContact CB-CB 4.11Å; F916-E919 HydrophobicContact CB-CG 3.58Å; F916-E919 HydrophobicContact CD2-CG 4.21Å; F916-E919 HydrophobicContact CG-CG 4.27Å; F916-E919 PolarHBondContact O-N 3.46Å; F916-Y921 PolarHBondContact N-OH 2.96Å; F916-Y921 VanDerWaalsContact N-OH 3.07Å; F916-Y921 WeakPolarHBondContact O-CE2 3.18Å; F916-E952 VanDerWaalsContact CE2-OE1 3.25Å; F916-E952 WeakPolarHBondContact CE2-OE1 3.45Å; F916-E952 WeakPolarHBondContact CZ-OE1 3.36Å
917	P	56.7	Low	76.4	Confident	45 Å²	45	56.3 Å²	56.3	29%	0.292	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-17.5	-175.6	16.5	-25.9	0	0	0	114.4	Y915	Y915-P917 HydrophobicContact CE2-CB 4.32Å; Y915-P917 WeakPolarHBondContact O-CD 3.44Å
918	W	60.8	Low	76.9	Confident	43 Å²	43	56.4 Å²	56.4	16%	0.163	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-13.2	174.9	56.3	72.6	0	0	0	113.6	R104 I849 F916	R104-W918 WeakPolarHBondContact CB-O 3.32Å; R104-W918 VanDerWaalsContact CD-O 3.28Å; R104-W918 WeakPolarHBondContact CD-O 3.25Å; R104-W918 HydrophobicContact CG-CB 4.28Å; R104-W918 WeakPolarHBondContact CG-O 3.34Å; R104-W918 PolarHBondContact N-O 2.98Å; R104-W918 VanDerWaalsContact N-O 3.16Å; R104-W918 VanDerWaalsContact NE-CD1 3.26Å; R104-W918 VanDerWaalsContact NH2-CD1 3.33Å; R104-W918 VanDerWaalsContact NH2-NE1 3.18Å; I849-W918 WeakPolarHBondContact O-CZ2 3.4Å; F916-W918 HydrophobicContact CB-CD2 4.2Å; F916-W918 HydrophobicContact CB-CZ2 3.93Å; F916-W918 AromaticContact CD1-CE2 3.96Å; F916-W918 AromaticContact CD1-CH2 3.85Å; F916-W918 HydrophobicContact CD1-CH2 3.85Å; F916-W918 AromaticContact CD1-CZ2 3.32Å; F916-W918 HydrophobicContact CD1-CZ2 3.32Å; F916-W918 HydrophobicContact CE1-CZ2 4.22Å; F916-W918 AromaticContact CG-CZ2 3.97Å; F916-W918 HydrophobicContact CG-CZ2 3.97Å; F916-W918 PolarHBondContact O-N 2.91Å
919	E	65.1	Low	77.7	Confident	65 Å²	65	53.7 Å²	53.7	30%	0.304	25%	0.25	S	C	.	.	S	Bend	trans	-82.1	147.6	174.3	-68.7	-97	169	0	0	110.6	R104 F916 Y921	R104-E919 IonicContact CZ-OE1 3.65Å; R104-E919 IonicContact NH1-OE1 2.95Å; R104-E919 PolarHBondContact NH1-OE1 3.34Å; R104-E919 IonicContact NH1-OE2 3.49Å; R104-E919 IonicContact NH2-OE1 3.44Å; F916-E919 HydrophobicContact CB-CB 4.11Å; F916-E919 HydrophobicContact CB-CG 3.58Å; F916-E919 HydrophobicContact CD2-CG 4.21Å; F916-E919 HydrophobicContact CG-CG 4.27Å; F916-E919 PolarHBondContact O-N 3.46Å; E919-Y921 HydrophobicContact CB-CD2 4.3Å; E919-Y921 HydrophobicContact CB-CE2 3.68Å
920	E	64.6	Low	78.6	Confident	93 Å²	93	45.6 Å²	45.6	44%	0.435	22%	0.215	S	C	.	.			trans	-88.5	122.8	168.6	-91.5	-173.9	164.8	0	0	110.1
921	Y	74.2	Confident	79.2	Confident	43 Å²	43	44.4 Å²	44.4	17%	0.169	21%	0.208	C	C	.	.			trans	-111.2	146.6	174.8	-64.4	-86.9	0	0	0	109.9	L904 Y915 F916 E919 V925 L953	L904-Y921 HydrophobicContact CD1-CD2 4.38Å; L904-Y921 HydrophobicContact CD1-CG 4.17Å; Y915-Y921 HydrophobicContact CD2-CE2 4.43Å; F916-Y921 PolarHBondContact N-OH 2.96Å; F916-Y921 VanDerWaalsContact N-OH 3.07Å; F916-Y921 WeakPolarHBondContact O-CE2 3.18Å; E919-Y921 HydrophobicContact CB-CD2 4.3Å; E919-Y921 HydrophobicContact CB-CE2 3.68Å; Y921-V925 HydrophobicContact CD1-CG1 4.14Å; Y921-V925 HydrophobicContact CG-CG1 4.32Å; Y921-L953 HydrophobicContact CD1-CB 4.12Å; Y921-L953 HydrophobicContact CD1-CD1 4.09Å; Y921-L953 HydrophobicContact CE1-CB 3.48Å; Y921-L953 VanDerWaalsContact CE1-CB 3.48Å; Y921-L953 HydrophobicContact CE1-CD1 4.05Å; Y921-L953 HydrophobicContact CE1-CG 4.43Å; Y921-L953 HydrophobicContact CG-CD1 4.37Å
922	S	73.3	Confident	79.7	Confident	29 Å²	29	42.7 Å²	42.7	20%	0.203	20%	0.2	C	C	.	.			trans	-67.3	165.8	169	36	0	0	0	0	113.2	T779 L904 K924 V925	T779-S922 WeakPolarHBondContact CG2-OG 3.08Å; L904-S922 WeakPolarHBondContact CB-O 3.36Å; S922-K924 VanDerWaalsContact C-N 3.27Å; S922-K924 WeakPolarHBondContact CB-O 3.3Å; S922-K924 PolarHBondContact O-N 2.88Å; S922-K924 PolarHBondContact OG-O 3.05Å; S922-V925 VanDerWaalsContact O-CG1 3.3Å; S922-V925 WeakPolarHBondContact O-CG1 3.34Å
923	A	71.9	Confident	79.6	Confident	35 Å²	35	43.9 Å²	43.9	29%	0.289	21%	0.206	S	C	.	.	S	Bend	trans	-53.8	-45.9	171.9	0	0	0	0	0	111.8	E903 L904	E903-A923 CarbonylContact C-O 3.6Å; E903-A923 WeakPolarHBondContact CA-O 3.49Å; L904-A923 WeakPolarHBondContact CB-O 3.49Å; L904-A923 PolarHBondContact N-O 3.17Å
924	K	82.7	Confident	79	Confident	142 Å²	142	51 Å²	51	62%	0.617	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94.9	128.6	170.4	-69.8	-168.9	175.4	-171.1	0	110.7	T902 E903 S922	T902-K924 CarbonylContact O-C 3.6Å; T902-K924 WeakPolarHBondContact O-CA 3.4Å; E903-K924 WeakPolarHBondContact OE1-CE 3.28Å; E903-K924 WeakPolarHBondContact OE1-CG 3.32Å; S922-K924 VanDerWaalsContact C-N 3.27Å; S922-K924 WeakPolarHBondContact CB-O 3.3Å; S922-K924 PolarHBondContact O-N 2.88Å; S922-K924 PolarHBondContact OG-O 3.05Å
925	V	86.3	Confident	78	Confident	6 Å²	6	51.1 Å²	51.1	4%	0.036	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	145.2	-178.1	-67.6	0	0	0	0	111.5	N901 T902 L904 A907 Y921 S922 L953	N901-V925 CarbonylContact C-O 3.59Å; N901-V925 VanDerWaalsContact CA-O 3.31Å; N901-V925 WeakPolarHBondContact CA-O 3.31Å; T902-V925 PolarHBondContact N-O 2.92Å; T902-V925 PolarHBondContact O-N 3.45Å; T902-V925 WeakPolarHBondContact OG1-CG2 3.33Å; L904-V925 HydrophobicContact CB-CG1 4.05Å; L904-V925 HydrophobicContact CB-CG2 4.43Å; L904-V925 HydrophobicContact CD1-CG1 3.98Å; A907-V925 HydrophobicContact CB-CG2 4.06Å; Y921-V925 HydrophobicContact CD1-CG1 4.14Å; Y921-V925 HydrophobicContact CG-CG1 4.32Å; S922-V925 VanDerWaalsContact O-CG1 3.3Å; S922-V925 WeakPolarHBondContact O-CG1 3.34Å; V925-L953 HydrophobicContact CB-CD1 4.41Å; V925-L953 HydrophobicContact CB-CD2 4.08Å; V925-L953 HydrophobicContact CG1-CD1 4.4Å; V925-L953 HydrophobicContact CG2-CD1 4.2Å; V925-L953 HydrophobicContact CG2-CD2 3.67Å
926	R	90.4	Very high	76.5	Confident	49 Å²	49	54.5 Å²	54.5	19%	0.185	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	128.5	166	-96.9	179.9	136	-140.4	0	109.4	I899 N901 L953 C954 G956	I899-R926 VanDerWaalsContact CD1-NH2 3.33Å; I899-R926 HydrophobicContact CG2-CB 4.36Å; I899-R926 HydrophobicContact CG2-CG 3.91Å; N901-R926 WeakPolarHBondContact OD1-CG 3.48Å; R926-L953 WeakPolarHBondContact O-CA 3.43Å; R926-C954 WeakPolarHBondContact CB-O 3.26Å; R926-C954 PolarHBondContact O-N 3.14Å; R926-G956 PolarHBondContact NH1-O 3.18Å; R926-G956 VanDerWaalsContact NH1-O 3.09Å
927	T	89.7	Confident	75.5	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	123	167	-51.4	0	0	0	0	108.4	I899 W900 I913 L953	I899-T927 WeakPolarHBondContact CA-O 3.21Å; W900-T927 HydrophobicContact CH2-CG2 3.61Å; W900-T927 HydrophobicContact CZ2-CG2 3.41Å; W900-T927 VanDerWaalsContact CZ2-CG2 3.41Å; W900-T927 HydrophobicContact CZ3-CG2 4.34Å; W900-T927 PolarHBondContact N-O 3.15Å; W900-T927 PolarHBondContact O-N 3.09Å; I913-T927 HydrophobicContact CD1-CG2 3.99Å; I913-T927 HydrophobicContact CG1-CG2 4.21Å; I913-T927 HydrophobicContact CG2-CG2 4.11Å; T927-L953 HydrophobicContact CG2-CD2 4.49Å; T927-L953 WeakPolarHBondContact OG1-CD2 3.44Å
928	V	91.8	Very high	75.2	Confident	2 Å²	2	60.8 Å²	60.8	1%	0.012	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	127.3	176.6	178.6	0	0	0	0	108	I897 I899 A951 E952 C954	I897-V928 HydrophobicContact CG2-CG1 4Å; I899-V928 HydrophobicContact CD1-CG2 4.35Å; I899-V928 HydrophobicContact CG1-CG1 4.43Å; I899-V928 HydrophobicContact CG1-CG2 4.14Å; I899-V928 HydrophobicContact CG2-CG2 4.3Å; V928-A951 WeakPolarHBondContact O-CA 3.47Å; V928-E952 PolarHBondContact N-O 3.5Å; V928-E952 PolarHBondContact O-N 3.25Å; V928-C954 HydrophobicContact CB-CB 4.25Å; V928-C954 HydrophobicContact CG2-CB 3.82Å
929	C	90.9	Very high	74.8	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	142.9	177.9	-78.8	0	0	0	0	113.3	I897 S898 W900 T931 S950 A951	I897-C929 CarbonylContact C-O 3.48Å; I897-C929 VanDerWaalsContact CA-O 3.26Å; I897-C929 WeakPolarHBondContact CA-O 3.31Å; S898-C929 PolarHBondContact N-O 2.94Å; S898-C929 PolarHBondContact O-N 3.45Å; W900-C929 HydrophobicContact CH2-CB 4Å; W900-C929 WeakPolarHBondContact CH2-SG 3.37Å; W900-C929 HydrophobicContact CZ3-CB 3.63Å; W900-C929 WeakPolarHBondContact CZ3-SG 3.39Å; C929-T931 HydrophobicContact CB-CG2 4.21Å; C929-S950 CarbonylContact C-O 3.54Å; C929-S950 WeakPolarHBondContact CA-O 3.11Å; C929-A951 WeakPolarHBondContact SG-CA 3.47Å; C929-A951 WeakPolarHBondContact SG-CB 3.49Å
930	I	92.3	Very high	74.2	Confident	2 Å²	2	68.5 Å²	68.5	1%	0.01	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	117	166.4	-57.9	173.9	0	0	0	106.7	H826 L827 F896 I897 I949 S950 L962	H826-I930 HydrophobicContact CB-CD1 3.86Å; L827-I930 HydrophobicContact CB-CD1 4.12Å; F896-I930 WeakPolarHBondContact O-CA 3.17Å; I897-I930 HydrophobicContact CG1-CG1 4.35Å; I930-I949 HydrophobicContact CB-CB 4.21Å; I930-I949 HydrophobicContact CG2-CB 3.96Å; I930-I949 HydrophobicContact CG2-CD1 3.93Å; I930-I949 HydrophobicContact CG2-CG1 4.48Å; I930-I949 HydrophobicContact CG2-CG2 4.34Å; I930-I949 WeakPolarHBondContact O-CB 3.42Å; I930-I949 PolarHBondContact O-N 3.37Å; I930-S950 PolarHBondContact N-O 3.02Å; I930-S950 PolarHBondContact O-N 3.35Å; I930-L962 HydrophobicContact CB-CD1 4.39Å; I930-L962 HydrophobicContact CD1-CD1 4.2Å; I930-L962 HydrophobicContact CG1-CD1 4.27Å; I930-L962 HydrophobicContact CG2-CD1 3.28Å
931	T	89.2	Confident	73.8	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	151.4	-178.2	57.6	0	0	0	0	111.1	G895 F896 C929 E933 S947 V948	G895-T931 CarbonylContact C-O 3.38Å; G895-T931 WeakPolarHBondContact CA-O 3.43Å; F896-T931 PolarHBondContact N-O 2.89Å; F896-T931 PolarHBondContact O-N 3.18Å; F896-T931 PolarHBondContact O-OG1 2.79Å; C929-T931 HydrophobicContact CB-CG2 4.21Å; T931-E933 VanDerWaalsContact C-N 3.34Å; T931-E933 WeakPolarHBondContact CB-O 3.39Å; T931-E933 PolarHBondContact OG1-O 2.95Å; T931-S947 WeakPolarHBondContact CA-O 3.26Å; T931-V948 HydrophobicContact CG2-CG2 4.12Å
932	K	85.5	Confident	73	Confident	113 Å²	113	69.2 Å²	69.2	49%	0.491	34%	0.343	S	S	.	.	S	Bend	trans	-72	-31.4	174.4	-67.3	-178.3	177.9	-179.3	0	112.9	S947 I949	K932-S947 PolarHBondContact N-O 3.36Å; K932-I949 HydrophobicContact CG-CD1 3.95Å; K932-I949 HydrophobicContact CG-CG1 4.11Å
933	E	79	Confident	72.2	Confident	131 Å²	131	72.9 Å²	72.9	61%	0.612	38%	0.375	S	S	*	.	S	Bend	trans	-117.4	153.8	-178.7	-65.3	-177.3	-172.8	0	0	110.8	F896 T931 H935	F896-E933 VanDerWaalsContact CD2-C 3.47Å; T931-E933 VanDerWaalsContact C-N 3.34Å; T931-E933 WeakPolarHBondContact CB-O 3.39Å; T931-E933 PolarHBondContact OG1-O 2.95Å; E933-H935 PolarHBondContact O-N 3.12Å; E933-H935 VanDerWaalsContact O-N 3.16Å
934	K	72.5	Confident	71.9	Confident	159 Å²	159	74.5 Å²	74.5	69%	0.691	38%	0.379	S	S	*	.			trans	-78.2	99.3	177	-160.5	175.4	-172.7	174.4	0	108.3	F896	F896-K934 HydrophobicContact CD1-CB 4.11Å; F896-K934 HydrophobicContact CD1-CD 4.13Å; F896-K934 HydrophobicContact CD1-CG 4Å; F896-K934 HydrophobicContact CD2-CB 3.82Å; F896-K934 VanDerWaalsContact CD2-N 3.31Å; F896-K934 HydrophobicContact CE1-CB 4.16Å; F896-K934 HydrophobicContact CE1-CD 3.99Å; F896-K934 HydrophobicContact CE1-CG 4.25Å; F896-K934 HydrophobicContact CE2-CB 3.87Å; F896-K934 HydrophobicContact CG-CB 3.94Å; F896-K934 HydrophobicContact CG-CG 4.15Å; F896-K934 HydrophobicContact CZ-CB 4.03Å; F896-K934 HydrophobicContact CZ-CD 4.49Å
935	H	65.4	Low	71.6	Confident	44 Å²	44	70.1 Å²	70.1	20%	0.204	36%	0.36	C	S	.	.			trans	-80.8	130.3	177.7	-80	-69.7	0	0	0	110.9	E933 F937 S947	E933-H935 PolarHBondContact O-N 3.12Å; E933-H935 VanDerWaalsContact O-N 3.16Å; H935-F937 HydrophobicContact CB-CD2 4.09Å; H935-F937 HydrophobicContact CB-CE2 3.49Å; H935-F937 VanDerWaalsContact CB-CE2 3.49Å; H935-F937 HydrophobicContact CB-CZ 3.87Å; H935-F937 WeakPolarHBondContact O-CD2 3.44Å; H935-F937 PolarHBondContact O-N 3.42Å; H935-S947 PolarHBondContact NE2-OG 2.95Å
936	P	50.7	Low	71	Confident	124 Å²	124	76.7 Å²	76.7	81%	0.805	40%	0.395	S	S	*	.			trans	-74.7	107.8	166.3	28.8	-28	0	0	0	108.2	N938	P936-N938 PolarHBondContact O-N 2.91Å
937	F	53.3	Low	70.5	Confident	55 Å²	55	75 Å²	75	24%	0.241	39%	0.39	C	S	.	.			trans	-83.9	116.8	179.6	-74.6	-90.1	0	0	0	110.6	S898 W900 H935 L942	S898-F937 WeakPolarHBondContact OG-CE2 3.33Å; W900-F937 HydrophobicContact CB-CD1 4.49Å; W900-F937 HydrophobicContact CD2-CD1 4.11Å; W900-F937 AromaticContact CD2-CE1 3.96Å; W900-F937 HydrophobicContact CD2-CE1 3.96Å; W900-F937 AromaticContact CE3-CD1 3.84Å; W900-F937 HydrophobicContact CE3-CD1 3.84Å; W900-F937 AromaticContact CE3-CE1 3.38Å; W900-F937 HydrophobicContact CE3-CE1 3.38Å; W900-F937 AromaticContact CE3-CZ 3.86Å; W900-F937 HydrophobicContact CE3-CZ 3.86Å; W900-F937 HydrophobicContact CG-CD1 4.38Å; W900-F937 HydrophobicContact CH2-CE1 4.23Å; W900-F937 HydrophobicContact CZ3-CD1 4.41Å; W900-F937 AromaticContact CZ3-CE1 3.51Å; W900-F937 HydrophobicContact CZ3-CE1 3.51Å; W900-F937 AromaticContact CZ3-CZ 3.75Å; W900-F937 HydrophobicContact CZ3-CZ 3.75Å; H935-F937 HydrophobicContact CB-CD2 4.09Å; H935-F937 HydrophobicContact CB-CE2 3.49Å; H935-F937 VanDerWaalsContact CB-CE2 3.49Å; H935-F937 HydrophobicContact CB-CZ 3.87Å; H935-F937 WeakPolarHBondContact O-CD2 3.44Å; H935-F937 PolarHBondContact O-N 3.42Å; F937-L942 HydrophobicContact CE1-CD1 3.63Å; F937-L942 HydrophobicContact CE1-CG 3.69Å; F937-L942 HydrophobicContact CZ-CD1 3.8Å; F937-L942 HydrophobicContact CZ-CG 3.96Å
938	N	50.3	Low	70.3	Confident	142 Å²	142	76.4 Å²	76.4	76%	0.759	40%	0.399	S	S	*	.			trans	-78.2	147.5	147.4	-76.8	-19.3	0	0	0	107.3	P936 H940	P936-N938 PolarHBondContact O-N 2.91Å; N938-H940 PolarHBondContact O-N 3.19Å
939	D	51.8	Low	70.2	Confident	112 Å²	112	77.3 Å²	77.3	60%	0.599	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	4.3	-172.3	-76.9	-39.7	0	0	0	116.5
940	H	52.3	Low	70.2	Confident	158 Å²	158	77.6 Å²	77.6	73%	0.731	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.9	-8.2	-163.1	-68.9	-38.3	0	0	0	120.5	N938	N938-H940 PolarHBondContact O-N 3.19Å
941	E	56.5	Low	70.1	Confident	136 Å²	136	77.7 Å²	77.7	64%	0.636	41%	0.407	S	S	*	.			trans	-177.9	149.5	168.6	-112.3	158.9	-169.6	0	0	112.8	H906	H906-E941 IonicContact CE1-OE1 2.75Å; H906-E941 PolarHBondContact CE1-OE1 2.84Å; H906-E941 IonicContact NE2-OE1 3.65Å
942	L	57.6	Low	70.2	Confident	14 Å²	14	78.2 Å²	78.2	7%	0.073	41%	0.409	C	S	.	.			trans	-82.4	116.4	164.4	-122	138.9	0	0	0	108.3	W900 F937 D944 F945 V948	W900-L942 HydrophobicContact CH2-CD1 3.14Å; W900-L942 HydrophobicContact CH2-CG 4.46Å; W900-L942 HydrophobicContact CZ2-CD1 3.88Å; W900-L942 HydrophobicContact CZ3-CD1 3.54Å; F937-L942 HydrophobicContact CE1-CD1 3.63Å; F937-L942 HydrophobicContact CE1-CG 3.69Å; F937-L942 HydrophobicContact CZ-CD1 3.8Å; F937-L942 HydrophobicContact CZ-CG 3.96Å; L942-D944 VanDerWaalsContact C-N 3.27Å; L942-D944 WeakPolarHBondContact CD2-O 3.48Å; L942-D944 PolarHBondContact O-N 2.89Å; L942-F945 HydrophobicContact CB-CD2 4.49Å; L942-F945 HydrophobicContact CB-CE1 4.35Å; L942-F945 HydrophobicContact CB-CE2 3.97Å; L942-F945 HydrophobicContact CB-CZ 3.87Å; L942-F945 HydrophobicContact CD1-CE1 4.4Å; L942-V948 HydrophobicContact CD1-CG2 4.22Å; L942-V948 HydrophobicContact CD2-CG2 3.74Å
943	A	55.6	Low	70.4	Confident	107 Å²	107	73.1 Å²	73.1	88%	0.884	39%	0.387	S	S	*	.	S	Bend	trans	-67.5	-27.1	-178.6	0	0	0	0	0	113.1
944	D	67.3	Low	71	Confident	69 Å²	69	67.5 Å²	67.5	37%	0.369	36%	0.363	S	S	.	.			trans	-143.7	106.4	-178.7	-175.5	15.7	0	0	0	113.4	L942 N946 S947	L942-D944 VanDerWaalsContact C-N 3.27Å; L942-D944 WeakPolarHBondContact CD2-O 3.48Å; L942-D944 PolarHBondContact O-N 2.89Å; D944-N946 VanDerWaalsContact C-N 3.27Å; D944-N946 PolarHBondContact O-N 3.28Å; D944-N946 WeakPolarHBondContact OD1-CB 3.15Å; D944-N946 VanDerWaalsContact OD1-CG 3.29Å; D944-N946 PolarHBondContact OD1-N 3.48Å; D944-N946 PolarHBondContact OD1-ND2 3.15Å; D944-S947 PolarHBondContact O-OG 3.43Å
945	F	74.8	Confident	71.9	Confident	49 Å²	49	62 Å²	62	22%	0.215	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-74.3	-8.6	175.3	-81	-81.5	0	0	0	114.2	V910 Q912 I913 L942 S947 V948	V910-F945 HydrophobicContact CG1-CE1 3.94Å; V910-F945 HydrophobicContact CG1-CE2 3.77Å; V910-F945 HydrophobicContact CG1-CZ 3.39Å; Q912-F945 HydrophobicContact CB-CD1 3.51Å; Q912-F945 HydrophobicContact CB-CE1 3.9Å; Q912-F945 HydrophobicContact CB-CG 4.17Å; Q912-F945 HydrophobicContact CG-CB 4.03Å; Q912-F945 HydrophobicContact CG-CD1 3.85Å; Q912-F945 HydrophobicContact CG-CG 4Å; I913-F945 HydrophobicContact CG1-CE1 4.44Å; L942-F945 HydrophobicContact CB-CD2 4.49Å; L942-F945 HydrophobicContact CB-CE1 4.35Å; L942-F945 HydrophobicContact CB-CE2 3.97Å; L942-F945 HydrophobicContact CB-CZ 3.87Å; L942-F945 HydrophobicContact CD1-CE1 4.4Å; F945-S947 PolarHBondContact O-N 3.39Å; F945-V948 HydrophobicContact CD1-CB 4.4Å; F945-V948 HydrophobicContact CD1-CG2 3.9Å; F945-V948 WeakPolarHBondContact O-CB 3.38Å; F945-V948 PolarHBondContact O-N 2.93Å
946	N	75.4	Confident	73.2	Confident	145 Å²	145	60 Å²	60	78%	0.775	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-68.1	-25.9	179.2	-66.1	-47.1	0	0	0	112.9	D944 V948	D944-N946 VanDerWaalsContact C-N 3.27Å; D944-N946 PolarHBondContact O-N 3.28Å; D944-N946 WeakPolarHBondContact OD1-CB 3.15Å; D944-N946 VanDerWaalsContact OD1-CG 3.29Å; D944-N946 PolarHBondContact OD1-N 3.48Å; D944-N946 PolarHBondContact OD1-ND2 3.15Å; N946-V948 VanDerWaalsContact C-N 3.31Å
947	S	78.2	Confident	75.3	Confident	13 Å²	13	54.4 Å²	54.4	9%	0.091	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-83.6	-5.4	177.5	67.9	0	0	0	0	113.8	T931 K932 H935 D944 F945	T931-S947 WeakPolarHBondContact CA-O 3.26Å; K932-S947 PolarHBondContact N-O 3.36Å; H935-S947 PolarHBondContact NE2-OG 2.95Å; D944-S947 PolarHBondContact O-OG 3.43Å; F945-S947 PolarHBondContact O-N 3.39Å
948	V	86.4	Confident	77.3	Confident	29 Å²	29	52.2 Å²	52.2	18%	0.176	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	120.2	-174.6	178.3	0	0	0	0	110	T931 L942 F945 N946 S950 A951	T931-V948 HydrophobicContact CG2-CG2 4.12Å; L942-V948 HydrophobicContact CD1-CG2 4.22Å; L942-V948 HydrophobicContact CD2-CG2 3.74Å; F945-V948 HydrophobicContact CD1-CB 4.4Å; F945-V948 HydrophobicContact CD1-CG2 3.9Å; F945-V948 WeakPolarHBondContact O-CB 3.38Å; F945-V948 PolarHBondContact O-N 2.93Å; N946-V948 VanDerWaalsContact C-N 3.31Å; V948-S950 WeakPolarHBondContact CG1-O 3.49Å; V948-A951 HydrophobicContact CG1-CB 3.97Å
949	I	89	Confident	79.4	Confident	21 Å²	21	45.5 Å²	45.5	11%	0.108	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	-42.7	171.2	-63.5	164.7	0	0	0	109.7	L827 S830 L890 I930 K932	L827-I949 HydrophobicContact CD1-CG2 4.17Å; S830-I949 WeakPolarHBondContact CB-O 3.31Å; S830-I949 PolarHBondContact OG-O 3.4Å; L890-I949 HydrophobicContact CD1-CG2 4.28Å; L890-I949 HydrophobicContact CD2-CD1 4.09Å; L890-I949 HydrophobicContact CD2-CG1 4.44Å; L890-I949 HydrophobicContact CD2-CG2 4.49Å; I930-I949 HydrophobicContact CB-CB 4.21Å; I930-I949 HydrophobicContact CG2-CB 3.96Å; I930-I949 HydrophobicContact CG2-CD1 3.93Å; I930-I949 HydrophobicContact CG2-CG1 4.48Å; I930-I949 HydrophobicContact CG2-CG2 4.34Å; I930-I949 WeakPolarHBondContact O-CB 3.42Å; I930-I949 PolarHBondContact O-N 3.37Å; K932-I949 HydrophobicContact CG-CD1 3.95Å; K932-I949 HydrophobicContact CG-CG1 4.11Å
950	S	91.6	Very high	81.3	Confident	6 Å²	6	43.9 Å²	43.9	4%	0.042	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	142.2	179.8	179.9	0	0	0	0	110	C929 I930 V948	C929-S950 CarbonylContact C-O 3.54Å; C929-S950 WeakPolarHBondContact CA-O 3.11Å; I930-S950 PolarHBondContact N-O 3.02Å; I930-S950 PolarHBondContact O-N 3.35Å; V948-S950 WeakPolarHBondContact CG1-O 3.49Å
951	A	90.3	Very high	83.2	Confident	5 Å²	5	38 Å²	38	4%	0.041	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	127.5	169.4	0	0	0	0	0	109.6	I913 R914 V928 C929 V948	I913-A951 HydrophobicContact CG1-CB 4.19Å; R914-A951 WeakPolarHBondContact CB-O 3.45Å; R914-A951 PolarHBondContact N-O 3.22Å; V928-A951 WeakPolarHBondContact O-CA 3.47Å; C929-A951 WeakPolarHBondContact SG-CA 3.47Å; C929-A951 WeakPolarHBondContact SG-CB 3.49Å; V948-A951 HydrophobicContact CG1-CB 3.97Å
952	E	90.6	Very high	84.9	Confident	10 Å²	10	31.5 Å²	31.5	5%	0.047	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	141.8	-176.8	-167.3	165.6	151.1	0	0	112	H826 H848 R914 F916 V928 C954	H826-E952 IonicContact CE1-OE1 2.61Å; H826-E952 IonicContact CE1-OE2 3.59Å; H826-E952 PolarHBondContact CE1-OE2 3.23Å; H826-E952 IonicContact ND1-OE2 2.66Å; H826-E952 PolarHBondContact ND1-OE2 2.92Å; H848-E952 IonicContact CE1-OE1 2.96Å; R914-E952 HydrophobicContact CB-CB 4.28Å; R914-E952 HydrophobicContact CB-CG 4.08Å; R914-E952 HydrophobicContact CG-CG 4.47Å; R914-E952 IonicContact NH1-OE2 3.71Å; R914-E952 PolarHBondContact NH1-OE2 3.43Å; R914-E952 CarbonylContact O-C 3.31Å; R914-E952 VanDerWaalsContact O-CA 3.3Å; R914-E952 WeakPolarHBondContact O-CA 3.37Å; F916-E952 VanDerWaalsContact CE2-OE1 3.25Å; F916-E952 WeakPolarHBondContact CE2-OE1 3.45Å; F916-E952 WeakPolarHBondContact CZ-OE1 3.36Å; V928-E952 PolarHBondContact N-O 3.5Å; V928-E952 PolarHBondContact O-N 3.25Å; E952-C954 PolarHBondContact O-N 3.39Å
953	L	90.5	Very high	86.4	Confident	6 Å²	6	32.7 Å²	32.7	3%	0.031	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	107.3	168.5	-64.5	-169.5	0	0	0	109.5	L904 A907 I913 R914 Y915 Y921 V925 R926 T927	L904-L953 HydrophobicContact CD1-CD1 3.81Å; A907-L953 HydrophobicContact CB-CD1 4.33Å; A907-L953 HydrophobicContact CB-CD2 3.95Å; I913-L953 HydrophobicContact CG2-CD2 3.82Å; I913-L953 HydrophobicContact CG2-CG 3.9Å; R914-L953 PolarHBondContact O-N 2.98Å; Y915-L953 HydrophobicContact CG-CD1 4.47Å; Y921-L953 HydrophobicContact CD1-CB 4.12Å; Y921-L953 HydrophobicContact CD1-CD1 4.09Å; Y921-L953 HydrophobicContact CE1-CB 3.48Å; Y921-L953 VanDerWaalsContact CE1-CB 3.48Å; Y921-L953 HydrophobicContact CE1-CD1 4.05Å; Y921-L953 HydrophobicContact CE1-CG 4.43Å; Y921-L953 HydrophobicContact CG-CD1 4.37Å; V925-L953 HydrophobicContact CB-CD1 4.41Å; V925-L953 HydrophobicContact CB-CD2 4.08Å; V925-L953 HydrophobicContact CG1-CD1 4.4Å; V925-L953 HydrophobicContact CG2-CD1 4.2Å; V925-L953 HydrophobicContact CG2-CD2 3.67Å; R926-L953 WeakPolarHBondContact O-CA 3.43Å; T927-L953 HydrophobicContact CG2-CD2 4.49Å; T927-L953 WeakPolarHBondContact OG1-CD2 3.44Å
954	C	91.4	Very high	88.2	Confident	14 Å²	14	27.8 Å²	27.8	10%	0.095	16%	0.159	C	C	.	.			trans	-143.6	129.6	-173.1	-173.5	0	0	0	0	112.6	H822 R926 V928 E952 G956 H958	H822-C954 VanDerWaalsContact CE1-SG 3.51Å; H822-C954 PolarHBondContact NE2-SG 3.01Å; R926-C954 WeakPolarHBondContact CB-O 3.26Å; R926-C954 PolarHBondContact O-N 3.14Å; V928-C954 HydrophobicContact CB-CB 4.25Å; V928-C954 HydrophobicContact CG2-CB 3.82Å; E952-C954 PolarHBondContact O-N 3.39Å; C954-G956 PolarHBondContact SG-N 3.24Å; C954-H958 PolarHBondContact SG-NE2 3.27Å; C954-H958 VanDerWaalsContact SG-NE2 3.37Å
955	G	90	Very high	89.4	Confident	42 Å²	42	24.5 Å²	24.5	43%	0.433	14%	0.141	S	C	.	.			trans	-94.8	10.2	174.5	0	0	0	0	0	114.2	Y659 F740	Y659-G955 PolarHBondContact OH-O 3.36Å; F740-G955 WeakPolarHBondContact CE2-O 3.35Å
956	G	93.1	Very high	90.3	Very high	2 Å²	2	25.3 Å²	25.3	2%	0.021	15%	0.147	C	C	.	.	S	Bend	trans	-75.8	175.7	-178.1	0	0	0	0	0	114.7	R926 C954 H958	R926-G956 PolarHBondContact NH1-O 3.18Å; R926-G956 VanDerWaalsContact NH1-O 3.09Å; C954-G956 PolarHBondContact SG-N 3.24Å; G956-H958 PolarHBondContact O-CD2 2.96Å
957	T	95.5	Very high	91.3	Very high	7 Å²	7	18.6 Å²	18.6	4%	0.043	11%	0.111	C	C	.	.			trans	-96.3	136.4	170	55.2	0	0	0	0	109.9	F740 Q746	F740-T957 HydrophobicContact CD2-CG2 3.98Å; Q746-T957 PolarHBondContact NE2-OG1 3.46Å; Q746-T957 VanDerWaalsContact OE1-N 3.12Å; Q746-T957 PolarHBondContact OE1-OG1 3.43Å
958	H	95.1	Very high	92.2	Very high	9 Å²	9	18 Å²	18	4%	0.042	11%	0.107	C	C	.	.			trans	-135.3	153.1	-172.3	-66.1	-75.6	0	0	0	112.4	M819 H822 T823 H826 I897 I899 C954 G956	M819-H958 WeakPolarHBondContact CE-O 3.44Å; H822-H958 AromaticContact CD2-CE1 3.58Å; H822-H958 AromaticContact CG-CE1 3.56Å; H822-H958 AromaticContact ND1-CE1 4Å; T823-H958 WeakPolarHBondContact OG1-CB 3.37Å; T823-H958 PolarHBondContact OG1-ND1 3.35Å; H826-H958 AromaticContact CD2-CE1 3.35Å; H826-H958 PolarHBondContact CD2-CE1 3.09Å; H826-H958 AromaticContact CD2-ND1 3.92Å; H826-H958 AromaticContact NE2-CE1 3.2Å; H826-H958 PolarHBondContact NE2-CE1 3.48Å; H826-H958 AromaticContact NE2-NE2 3.83Å; I897-H958 HydrophobicContact CG2-CB 4.05Å; I899-H958 HydrophobicContact CD1-CB 4.46Å; C954-H958 PolarHBondContact SG-NE2 3.27Å; C954-H958 VanDerWaalsContact SG-NE2 3.37Å; G956-H958 PolarHBondContact O-CD2 2.96Å
959	L	94.3	Very high	92.8	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.005	10%	0.099	C	C	.	.			trans	-59.2	163.6	166.1	-61.2	174.1	0	0	0	111.5	Y675 F816 M819 C820 T823 I897 D964 L965	Y675-L959 HydrophobicContact CE2-CD2 4.18Å; F816-L959 HydrophobicContact CD2-CD2 4.26Å; F816-L959 HydrophobicContact CE2-CD2 3.78Å; F816-L959 HydrophobicContact CZ-CD2 4.47Å; M819-L959 HydrophobicContact CB-CD2 4.1Å; M819-L959 HydrophobicContact CB-CG 4.35Å; C820-L959 HydrophobicContact CB-CD1 4.48Å; T823-L959 HydrophobicContact CG2-CB 4.39Å; T823-L959 HydrophobicContact CG2-CD1 4.32Å; T823-L959 PolarHBondContact OG1-N 3.48Å; I897-L959 WeakPolarHBondContact CB-O 3.35Å; I897-L959 HydrophobicContact CD1-CB 4.18Å; I897-L959 WeakPolarHBondContact CG1-O 3.41Å; I897-L959 VanDerWaalsContact CG2-O 3.31Å; I897-L959 WeakPolarHBondContact CG2-O 3.35Å; L959-D964 HydrophobicContact CD1-CB 4.14Å; L959-D964 HydrophobicContact CD2-CB 4.18Å; L959-L965 HydrophobicContact CD1-CB 4.04Å
960	F	91.9	Very high	93.2	Very high	78 Å²	78	15.6 Å²	15.6	34%	0.342	9%	0.094	S	C	.	.	S	Bend	trans	-94.1	-31	171.5	-65.4	-66.8	0	0	0	113.4	C661 R663 Y675 I897	C661-F960 WeakPolarHBondContact O-CZ 3.48Å; C661-F960 VanDerWaalsContact SG-CE2 3.53Å; C661-F960 WeakPolarHBondContact SG-CZ 3.5Å; R663-F960 HydrophobicContact CB-CD2 3.76Å; R663-F960 HydrophobicContact CB-CE2 4.25Å; Y675-F960 HydrophobicContact CD1-CD2 4.12Å; Y675-F960 HydrophobicContact CD1-CE2 4.07Å; Y675-F960 AromaticContact CE1-CD2 3.24Å; Y675-F960 HydrophobicContact CE1-CD2 3.24Å; Y675-F960 AromaticContact CE1-CE2 3.6Å; Y675-F960 HydrophobicContact CE1-CE2 3.6Å; Y675-F960 HydrophobicContact CE1-CG 4.28Å; Y675-F960 AromaticContact CZ-CD2 3.82Å; Y675-F960 PolarHBondContact OH-N 2.98Å; I897-F960 VanDerWaalsContact CD1-C 3.47Å; I897-F960 PolarHBondContact N-O 3.2Å
961	E	91.8	Very high	93.5	Very high	34 Å²	34	16.1 Å²	16.1	16%	0.159	10%	0.097	C	C	.	.	B	Isolated β-bridge	trans	-129.6	145.4	178.8	-72.3	-178.9	-153	0	0	110.5	R663 N894 F896 S963 D964	R663-E961 VanDerWaalsContact CZ-CD 3.44Å; R663-E961 IonicContact CZ-OE1 3.57Å; R663-E961 IonicContact CZ-OE2 3.32Å; R663-E961 IonicContact NH1-OE1 2.83Å; R663-E961 PolarHBondContact NH1-OE1 3.18Å; R663-E961 IonicContact NH1-OE2 3.2Å; R663-E961 PolarHBondContact NH1-OE2 3.15Å; R663-E961 IonicContact NH2-OE1 3.97Å; R663-E961 IonicContact NH2-OE2 2.94Å; R663-E961 PolarHBondContact NH2-OE2 2.96Å; N894-E961 PolarHBondContact ND2-OE2 3.21Å; F896-E961 HydrophobicContact CD1-CG 4.12Å; F896-E961 HydrophobicContact CE1-CG 4.29Å; E961-S963 VanDerWaalsContact C-N 3.31Å; E961-S963 PolarHBondContact O-N 2.61Å; E961-D964 PolarHBondContact O-N 3.36Å
962	L	92	Very high	93.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-68.3	-32.4	-179.3	-126.6	88.2	0	0	0	112.4	L827 L890 I891 G895 I897 I930 D964 L965	L827-L962 HydrophobicContact CD1-CD2 3.8Å; L827-L962 HydrophobicContact CD2-CD2 3.56Å; L827-L962 HydrophobicContact CD2-CG 4.32Å; L827-L962 HydrophobicContact CG-CD2 4.25Å; L890-L962 HydrophobicContact CB-CD2 4.33Å; L890-L962 WeakPolarHBondContact O-CD2 3.4Å; I891-L962 HydrophobicContact CB-CD2 4.49Å; I891-L962 HydrophobicContact CG1-CD2 4.05Å; G895-L962 PolarHBondContact O-N 2.94Å; I897-L962 HydrophobicContact CD1-CD1 4.04Å; I930-L962 HydrophobicContact CB-CD1 4.39Å; I930-L962 HydrophobicContact CD1-CD1 4.2Å; I930-L962 HydrophobicContact CG1-CD1 4.27Å; I930-L962 HydrophobicContact CG2-CD1 3.28Å; L962-D964 PolarHBondContact O-N 3Å; L962-L965 WeakPolarHBondContact O-CB 3.42Å; L962-L965 PolarHBondContact O-N 3.29Å
963	S	90.2	Very high	93.9	Very high	39 Å²	39	17.2 Å²	17.2	27%	0.273	11%	0.106	S	C	.	.	G	3₁₀ helix	trans	-58.8	-28.3	-179.4	53.9	0	0	0	0	113	N894 E961 L965 L966	N894-S963 WeakPolarHBondContact OD1-CB 3.27Å; N894-S963 PolarHBondContact OD1-N 3.14Å; N894-S963 PolarHBondContact OD1-OG 3.42Å; E961-S963 VanDerWaalsContact C-N 3.31Å; E961-S963 PolarHBondContact O-N 2.61Å; S963-L965 PolarHBondContact O-N 3.28Å; S963-L966 PolarHBondContact O-N 3.04Å; S963-L966 VanDerWaalsContact O-N 3.09Å
964	D	91.8	Very high	93.9	Very high	5 Å²	5	22.8 Å²	22.8	3%	0.027	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-67	-14.8	177.6	-58.3	-19.1	0	0	0	112.3	R663 Q674 Y675 L959 E961 L962	R663-D964 WeakPolarHBondContact CD-OD2 3.23Å; R663-D964 IonicContact CZ-OD1 3.45Å; R663-D964 IonicContact CZ-OD2 3.68Å; R663-D964 IonicContact NE-OD1 3.28Å; R663-D964 PolarHBondContact NE-OD1 3.47Å; R663-D964 IonicContact NE-OD2 2.87Å; R663-D964 PolarHBondContact NE-OD2 3.28Å; R663-D964 IonicContact NH2-OD1 2.77Å; R663-D964 PolarHBondContact NH2-OD1 2.86Å; R663-D964 IonicContact NH2-OD2 3.7Å; Q674-D964 VanDerWaalsContact OE1-CG 3.24Å; Q674-D964 PolarHBondContact OE1-OD1 3.34Å; Y675-D964 HydrophobicContact CE2-CB 4.35Å; Y675-D964 VanDerWaalsContact CE2-OD2 3.24Å; Y675-D964 WeakPolarHBondContact CE2-OD2 3.44Å; Y675-D964 PolarHBondContact OH-OD2 3.48Å; L959-D964 HydrophobicContact CD1-CB 4.14Å; L959-D964 HydrophobicContact CD2-CB 4.18Å; E961-D964 PolarHBondContact O-N 3.36Å; L962-D964 PolarHBondContact O-N 3Å
965	L	93.9	Very high	93.3	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-75.3	-24.5	173.8	-173.2	58.7	0	0	0	113.1	C820 L827 I891 L959 L962 S963 D967 I968 F987 G988	C820-L965 HydrophobicContact CB-CD1 3.78Å; C820-L965 VanDerWaalsContact O-CD1 3.23Å; C820-L965 WeakPolarHBondContact O-CD1 3.17Å; L827-L965 HydrophobicContact CD2-CD2 4.18Å; I891-L965 HydrophobicContact CD1-CD2 4.01Å; I891-L965 HydrophobicContact CD1-CG 4.29Å; I891-L965 HydrophobicContact CG1-CD2 4.35Å; L959-L965 HydrophobicContact CD1-CB 4.04Å; L962-L965 WeakPolarHBondContact O-CB 3.42Å; L962-L965 PolarHBondContact O-N 3.29Å; S963-L965 PolarHBondContact O-N 3.28Å; L965-D967 PolarHBondContact O-N 3.2Å; L965-I968 HydrophobicContact CD2-CD1 3.79Å; L965-I968 HydrophobicContact CD2-CG1 3.95Å; L965-I968 HydrophobicContact CG-CG1 4.39Å; L965-F987 HydrophobicContact CD1-CB 4.02Å; L965-F987 HydrophobicContact CD1-CD2 4.34Å; L965-F987 HydrophobicContact CD1-CG 4.37Å; L965-G988 VanDerWaalsContact O-CA 3.24Å; L965-G988 WeakPolarHBondContact O-CA 3.35Å; L965-G988 PolarHBondContact O-N 3.35Å
966	L	93.6	Very high	92.5	Very high	65 Å²	65	26 Å²	26	34%	0.34	13%	0.134	S	C	.	.			trans	62.9	-58.2	-178	-52	171.9	0	0	0	116.3	S963 H989	S963-L966 PolarHBondContact O-N 3.04Å; S963-L966 VanDerWaalsContact O-N 3.09Å; L966-H989 WeakPolarHBondContact CD1-NE2 3.26Å
967	D	95.9	Very high	91.1	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.021	16%	0.155	C	C	.	.			trans	-161.5	162.9	-174	-150.2	-13.4	0	0	0	112.5	Q888 L965 F987 G988 A991 K992 H995	Q888-D967 PolarHBondContact NE2-OD1 3.33Å; Q888-D967 VanDerWaalsContact NE2-OD1 3.09Å; Q888-D967 PolarHBondContact NE2-OD2 2.9Å; L965-D967 PolarHBondContact O-N 3.2Å; D967-F987 CarbonylContact O-C 3.57Å; D967-F987 WeakPolarHBondContact O-CA 3.43Å; D967-F987 WeakPolarHBondContact O-CB 3.23Å; D967-G988 PolarHBondContact O-N 2.94Å; D967-A991 HydrophobicContact CB-CB 3.91Å; D967-K992 HydrophobicContact CB-CB 4.2Å; D967-H995 IonicContact OD1-CE1 3.41Å; D967-H995 PolarHBondContact OD1-CE1 3.44Å; D967-H995 VanDerWaalsContact OD1-CE1 3.28Å; D967-H995 IonicContact OD1-ND1 3.35Å; D967-H995 PolarHBondContact OD1-ND1 2.97Å; D967-H995 IonicContact OD2-CE1 2.84Å; D967-H995 IonicContact OD2-CG 3.28Å; D967-H995 IonicContact OD2-ND1 3.97Å; D967-H995 PolarHBondContact OD2-ND1 2.96Å
968	I	97.9	Very high	89.7	Confident	1 Å²	1	32.8 Å²	32.8	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	130.1	173.6	-59.9	178.1	0	0	0	109.4	L827 F828 F858 C887 I891 L965 C985 I986 H995	L827-I968 HydrophobicContact CD2-CD1 4.2Å; F828-I968 HydrophobicContact CD2-CG2 4.27Å; F858-I968 HydrophobicContact CE1-CG2 4.33Å; F858-I968 HydrophobicContact CZ-CD1 4.25Å; F858-I968 HydrophobicContact CZ-CG2 3.93Å; C887-I968 HydrophobicContact CB-CB 4.47Å; C887-I968 HydrophobicContact CB-CD1 4.19Å; I891-I968 HydrophobicContact CD1-CD1 4.44Å; I891-I968 HydrophobicContact CD1-CG1 4.16Å; L965-I968 HydrophobicContact CD2-CD1 3.79Å; L965-I968 HydrophobicContact CD2-CG1 3.95Å; L965-I968 HydrophobicContact CG-CG1 4.39Å; I968-C985 HydrophobicContact CG2-CB 4.03Å; I968-I986 WeakPolarHBondContact CA-O 3.43Å; I968-H995 PolarHBondContact O-CE1 3.5Å; I968-H995 VanDerWaalsContact O-CE1 3.29Å
969	A	98.2	Very high	88.8	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	136.5	172.7	0	0	0	0	0	111.4	C985 I986 A991 P1040	A969-C985 CarbonylContact O-C 3.42Å; A969-C985 WeakPolarHBondContact O-CA 3.32Å; A969-I986 HydrophobicContact CB-CD1 4.21Å; A969-I986 HydrophobicContact CB-CG1 3.84Å; A969-I986 PolarHBondContact N-O 2.98Å; A969-I986 PolarHBondContact O-N 3.28Å; A969-A991 HydrophobicContact CB-CB 3.96Å; A969-P1040 HydrophobicContact CB-CG 4.19Å
970	I	98.3	Very high	88.2	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	111.7	179	-55.5	166.4	0	0	0	107.9	F828 T880 L883 E884 V973 F983 P1040 L1041	F828-I970 HydrophobicContact CE2-CD1 3.73Å; F828-I970 HydrophobicContact CE2-CG1 3.67Å; F828-I970 HydrophobicContact CZ-CD1 3.97Å; F828-I970 HydrophobicContact CZ-CG1 4.02Å; T880-I970 HydrophobicContact CG2-CD1 3.94Å; T880-I970 HydrophobicContact CG2-CG2 4.14Å; L883-I970 HydrophobicContact CB-CD1 4.1Å; L883-I970 HydrophobicContact CD2-CD1 3.83Å; L883-I970 HydrophobicContact CG-CD1 4.08Å; E884-I970 HydrophobicContact CG-CB 4.48Å; E884-I970 HydrophobicContact CG-CD1 3.87Å; E884-I970 HydrophobicContact CG-CG1 3.84Å; E884-I970 WeakPolarHBondContact OE1-CA 3.22Å; E884-I970 WeakPolarHBondContact OE1-CB 3.27Å; E884-I970 PolarHBondContact OE1-N 3.05Å; I970-V973 HydrophobicContact CG2-CG2 4.02Å; I970-F983 HydrophobicContact CG2-CD1 4.22Å; I970-P1040 CarbonylContact O-C 3.59Å; I970-L1041 VanDerWaalsContact O-CB 3.31Å; I970-L1041 WeakPolarHBondContact O-CB 3.27Å; I970-L1041 PolarHBondContact O-N 3.11Å
971	V	97.1	Very high	88	Confident	17 Å²	17	30.5 Å²	30.5	10%	0.103	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-20.8	-177.1	-64.3	0	0	0	0	113	T984 I986	V971-T984 HydrophobicContact CG2-CG2 3.93Å; V971-T984 WeakPolarHBondContact CG2-O 3.41Å; V971-T984 PolarHBondContact N-O 3Å; V971-I986 HydrophobicContact CG1-CD1 3.77Å; V971-I986 HydrophobicContact CG1-CG1 3.81Å; V971-I986 HydrophobicContact CG1-CG2 4.16Å; V971-I986 HydrophobicContact CG2-CG2 4.33Å
972	A	95.7	Very high	88.1	Confident	31 Å²	31	31 Å²	31	26%	0.256	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	148.8	175.9	0	0	0	0	0	113.4	F983 T984	A972-F983 CarbonylContact O-C 3.28Å; A972-F983 WeakPolarHBondContact O-CA 3.4Å; A972-T984 PolarHBondContact N-O 2.84Å; A972-T984 PolarHBondContact O-N 3.18Å
973	V	94.8	Very high	88.3	Confident	6 Å²	6	31 Å²	31	4%	0.036	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	114.8	167.3	-179.2	0	0	0	0	108.8	L876 T880 I970 R976 K981 E982 F983 L1041	L876-V973 HydrophobicContact CD1-CG2 4.4Å; T880-V973 HydrophobicContact CG2-CG2 4.22Å; I970-V973 HydrophobicContact CG2-CG2 4.02Å; V973-R976 HydrophobicContact CB-CG 4.38Å; V973-R976 HydrophobicContact CG1-CG 4.09Å; V973-R976 WeakPolarHBondContact O-CG 3.45Å; V973-R976 PolarHBondContact O-NE 3.13Å; V973-K981 HydrophobicContact CG1-CB 4.48Å; V973-E982 CarbonylContact C-O 3.55Å; V973-E982 WeakPolarHBondContact CA-O 3.33Å; V973-F983 HydrophobicContact CG1-CE1 4.32Å; V973-F983 HydrophobicContact CG1-CZ 4.49Å; V973-F983 HydrophobicContact CG2-CD1 3.53Å; V973-F983 HydrophobicContact CG2-CE1 3.67Å; V973-F983 HydrophobicContact CG2-CG 4.34Å; V973-L1041 HydrophobicContact CB-CD2 3.96Å; V973-L1041 HydrophobicContact CG2-CD2 3.64Å
974	K	90.1	Very high	88.7	Confident	124 Å²	124	30.3 Å²	30.3	54%	0.539	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	148.6	173.5	-65.2	177.3	-176.6	168.7	0	110.2	K981 E982	K974-K981 WeakPolarHBondContact O-CA 3.03Å; K974-E982 HydrophobicContact CB-CB 4.22Å; K974-E982 PolarHBondContact N-O 3.41Å; K974-E982 PolarHBondContact O-N 3.06Å
975	G	78.1	Confident	89	Confident	19 Å²	19	30.1 Å²	30.1	20%	0.196	15%	0.15	C	C	.	.			trans	70.4	30.8	-179.6	0	0	0	0	0	113.5	Q977 K978 K981	G975-Q977 PolarHBondContact O-N 2.82Å; G975-K978 PolarHBondContact O-N 2.97Å; G975-K981 WeakPolarHBondContact O-CG 3.47Å
976	R	72.9	Confident	89.2	Confident	105 Å²	105	30.3 Å²	30.3	40%	0.396	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.5	-40.5	-177.6	-60.1	172.5	-175.8	-173.5	1	113.6	M872 Q873 L876 V973 K981	M872-R976 WeakPolarHBondContact CE-O 3.49Å; Q873-R976 WeakPolarHBondContact CG-O 3.27Å; Q873-R976 PolarHBondContact NE2-O 2.87Å; L876-R976 HydrophobicContact CD2-CG 3.89Å; V973-R976 HydrophobicContact CB-CG 4.38Å; V973-R976 HydrophobicContact CG1-CG 4.09Å; V973-R976 WeakPolarHBondContact O-CG 3.45Å; V973-R976 PolarHBondContact O-NE 3.13Å; R976-K981 WeakPolarHBondContact O-CE 3.32Å
977	Q	63.4	Low	89.4	Confident	102 Å²	102	27.8 Å²	27.8	48%	0.477	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-2	-176.8	-84.6	173.8	-9.2	0	0	114.5	E551 W555 G975	E551-Q977 VanDerWaalsContact OE1-O 3.13Å; W555-Q977 HydrophobicContact CH2-CB 3.75Å; W555-Q977 HydrophobicContact CH2-CG 3.51Å; W555-Q977 HydrophobicContact CZ2-CB 3.3Å; W555-Q977 HydrophobicContact CZ2-CG 3.42Å; W555-Q977 VanDerWaalsContact CZ2-CG 3.42Å; W555-Q977 HydrophobicContact CZ3-CB 4.45Å; W555-Q977 HydrophobicContact CZ3-CG 4.45Å; W555-Q977 PolarHBondContact NE1-O 3.25Å; G975-Q977 PolarHBondContact O-N 2.82Å
978	K	67.3	Low	89.3	Confident	48 Å²	48	28 Å²	28	21%	0.209	14%	0.141	C	C	.	.	S	Bend	trans	-107	157.2	-177.6	-60.6	-172.4	176.5	-168.2	0	109.5	E551 G975 I980 K981	E551-K978 VanDerWaalsContact OE1-C 3.32Å; G975-K978 PolarHBondContact O-N 2.97Å; K978-I980 VanDerWaalsContact C-N 3.26Å; K978-I980 PolarHBondContact O-N 3.3Å; K978-K981 WeakPolarHBondContact O-CE 3.34Å
979	T	74.9	Confident	89.1	Confident	4 Å²	4	34.7 Å²	34.7	3%	0.025	17%	0.172	C	C	.	.	S	Bend	trans	-53.5	-46.2	172.9	-43.4	0	0	0	0	111.4	I548 E551 A863 I864 I865	I548-T979 HydrophobicContact CG1-CG2 4.08Å; E551-T979 PolarHBondContact OE1-N 3.28Å; E551-T979 VanDerWaalsContact OE2-CA 3.31Å; E551-T979 WeakPolarHBondContact OE2-CA 3.18Å; E551-T979 WeakPolarHBondContact OE2-CB 3.21Å; E551-T979 PolarHBondContact OE2-N 2.84Å; E551-T979 PolarHBondContact OE2-OG1 2.77Å; A863-T979 VanDerWaalsContact CA-O 3.25Å; A863-T979 WeakPolarHBondContact CA-O 3.43Å; A863-T979 HydrophobicContact CB-CG2 4.24Å; I864-T979 PolarHBondContact N-O 3.05Å; I865-T979 HydrophobicContact CD1-CG2 4.34Å; I865-T979 HydrophobicContact CG1-CG2 3.46Å; I865-T979 VanDerWaalsContact CG1-CG2 3.46Å
980	I	81.8	Confident	88.9	Confident	36 Å²	36	38.3 Å²	38.3	19%	0.185	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	120.4	176.7	-55.4	177.9	0	0	0	110.3	L464 P465 I849 A863 K978	L464-I980 HydrophobicContact CB-CD1 4.31Å; P465-I980 WeakPolarHBondContact O-CD1 3.4Å; I849-I980 HydrophobicContact CD1-CB 4.25Å; I849-I980 HydrophobicContact CD1-CD1 3.47Å; I849-I980 VanDerWaalsContact CD1-CD1 3.47Å; I849-I980 HydrophobicContact CD1-CG1 3.52Å; I849-I980 HydrophobicContact CD1-CG2 3.82Å; A863-I980 HydrophobicContact CB-CG1 4.47Å; K978-I980 VanDerWaalsContact C-N 3.26Å; K978-I980 PolarHBondContact O-N 3.3Å
981	K	88.8	Confident	88.8	Confident	1 Å²	1	38.3 Å²	38.3	0%	0.004	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	147.2	176.9	-67.6	142.2	-175.9	170.7	0	110.3	K861 A862 I864 S869 M872 V973 K974 G975 R976 K978 F983	K861-K981 WeakPolarHBondContact CA-O 3.27Å; A862-K981 PolarHBondContact N-O 3.2Å; A862-K981 PolarHBondContact O-N 3.5Å; I864-K981 HydrophobicContact CB-CD 4.05Å; I864-K981 HydrophobicContact CD1-CD 3.79Å; I864-K981 HydrophobicContact CG1-CD 4.15Å; S869-K981 PolarHBondContact OG-NZ 3.36Å; M872-K981 HydrophobicContact CE-CD 3.45Å; M872-K981 VanDerWaalsContact CE-CD 3.45Å; M872-K981 HydrophobicContact CE-CG 4.05Å; M872-K981 HydrophobicContact SD-CD 3.67Å; V973-K981 HydrophobicContact CG1-CB 4.48Å; K974-K981 WeakPolarHBondContact O-CA 3.03Å; G975-K981 WeakPolarHBondContact O-CG 3.47Å; R976-K981 WeakPolarHBondContact O-CE 3.32Å; K978-K981 WeakPolarHBondContact O-CE 3.34Å; K981-F983 HydrophobicContact CB-CD2 4.49Å; K981-F983 HydrophobicContact CB-CE2 3.88Å; K981-F983 HydrophobicContact CB-CZ 4.48Å
982	E	93.7	Very high	88.7	Confident	45 Å²	45	42.5 Å²	42.5	21%	0.21	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	111.5	175	177.5	176	-160.9	0	0	108.8	L860 K861 V973 K974	L860-E982 CarbonylContact O-C 3.55Å; L860-E982 VanDerWaalsContact O-CA 3.31Å; L860-E982 WeakPolarHBondContact O-CA 3.46Å; K861-E982 WeakPolarHBondContact CE-OE1 3.27Å; K861-E982 VanDerWaalsContact CE-OE2 3.32Å; K861-E982 WeakPolarHBondContact CE-OE2 3.16Å; K861-E982 HydrophobicContact CG-CB 3.92Å; K861-E982 HydrophobicContact CG-CG 3.92Å; K861-E982 IonicContact NZ-OE1 3.24Å; K861-E982 PolarHBondContact NZ-OE1 3.13Å; K861-E982 IonicContact NZ-OE2 3.71Å; V973-E982 CarbonylContact C-O 3.55Å; V973-E982 WeakPolarHBondContact CA-O 3.33Å; K974-E982 HydrophobicContact CB-CB 4.22Å; K974-E982 PolarHBondContact N-O 3.41Å; K974-E982 PolarHBondContact O-N 3.06Å
983	F	97	Very high	88.8	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	140.9	174.4	-63.3	-99.3	0	0	0	108.9	F828 L832 T859 L860 I864 M872 F879 L883 I970 A972 V973 K981	F828-F983 HydrophobicContact CE1-CB 3.81Å; F828-F983 HydrophobicContact CE1-CD1 4.16Å; F828-F983 HydrophobicContact CE1-CD2 4.35Å; F828-F983 AromaticContact CE1-CG 3.86Å; F828-F983 HydrophobicContact CE1-CG 3.86Å; F828-F983 HydrophobicContact CZ-CB 4.02Å; F828-F983 AromaticContact CZ-CD1 3.79Å; F828-F983 HydrophobicContact CZ-CD1 3.79Å; F828-F983 AromaticContact CZ-CG 3.96Å; F828-F983 HydrophobicContact CZ-CG 3.96Å; L832-F983 HydrophobicContact CD1-CZ 4.17Å; L832-F983 HydrophobicContact CD2-CD2 4.12Å; L832-F983 HydrophobicContact CD2-CE2 3.69Å; L832-F983 HydrophobicContact CD2-CZ 4.09Å; T859-F983 CarbonylContact C-O 3.49Å; T859-F983 WeakPolarHBondContact CA-O 3.5Å; T859-F983 WeakPolarHBondContact CB-O 2.78Å; L860-F983 HydrophobicContact CB-CB 4.42Å; L860-F983 PolarHBondContact N-O 3.32Å; L860-F983 PolarHBondContact O-N 3.2Å; I864-F983 HydrophobicContact CD1-CE2 4.11Å; I864-F983 HydrophobicContact CD1-CZ 4Å; M872-F983 HydrophobicContact SD-CZ 4.19Å; F879-F983 HydrophobicContact CE1-CE1 4.48Å; F879-F983 HydrophobicContact CE1-CZ 4.44Å; L883-F983 HydrophobicContact CD2-CE1 4.5Å; I970-F983 HydrophobicContact CG2-CD1 4.22Å; A972-F983 CarbonylContact O-C 3.28Å; A972-F983 WeakPolarHBondContact O-CA 3.4Å; V973-F983 HydrophobicContact CG1-CE1 4.32Å; V973-F983 HydrophobicContact CG1-CZ 4.49Å; V973-F983 HydrophobicContact CG2-CD1 3.53Å; V973-F983 HydrophobicContact CG2-CE1 3.67Å; V973-F983 HydrophobicContact CG2-CG 4.34Å; K981-F983 HydrophobicContact CB-CD2 4.49Å; K981-F983 HydrophobicContact CB-CE2 3.88Å; K981-F983 HydrophobicContact CB-CZ 4.48Å
984	T	98.1	Very high	88.9	Confident	24 Å²	24	43.3 Å²	43.3	15%	0.147	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	123.5	169.4	-54.5	0	0	0	0	107.6	Y857 V971 A972	Y857-T984 HydrophobicContact CD2-CG2 3.97Å; V971-T984 HydrophobicContact CG2-CG2 3.93Å; V971-T984 WeakPolarHBondContact CG2-O 3.41Å; V971-T984 PolarHBondContact N-O 3Å; A972-T984 PolarHBondContact N-O 2.84Å; A972-T984 PolarHBondContact O-N 3.18Å
985	C	98.5	Very high	89.2	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	137.9	-173.2	-53.2	0	0	0	0	110.4	Y857 F858 I968 A969	Y857-C985 CarbonylContact C-O 3.55Å; Y857-C985 WeakPolarHBondContact CA-O 3Å; Y857-C985 VanDerWaalsContact CB-O 3.26Å; Y857-C985 WeakPolarHBondContact CB-O 2.92Å; F858-C985 HydrophobicContact CD1-CB 4.3Å; F858-C985 HydrophobicContact CD2-CB 4.05Å; F858-C985 HydrophobicContact CE1-CB 3.8Å; F858-C985 HydrophobicContact CE2-CB 3.52Å; F858-C985 HydrophobicContact CG-CB 4.41Å; F858-C985 HydrophobicContact CZ-CB 3.37Å; F858-C985 PolarHBondContact N-O 2.75Å; F858-C985 PolarHBondContact O-N 3.15Å; I968-C985 HydrophobicContact CG2-CB 4.03Å; A969-C985 CarbonylContact O-C 3.42Å; A969-C985 WeakPolarHBondContact O-CA 3.32Å
986	I	98	Very high	90	Very high	5 Å²	5	42.6 Å²	42.6	3%	0.026	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	162.8	166.4	59.6	174.8	0	0	0	109.1	I968 A969 V971 L990 A991 A994 F1038	I968-I986 WeakPolarHBondContact CA-O 3.43Å; A969-I986 HydrophobicContact CB-CD1 4.21Å; A969-I986 HydrophobicContact CB-CG1 3.84Å; A969-I986 PolarHBondContact N-O 2.98Å; A969-I986 PolarHBondContact O-N 3.28Å; V971-I986 HydrophobicContact CG1-CD1 3.77Å; V971-I986 HydrophobicContact CG1-CG1 3.81Å; V971-I986 HydrophobicContact CG1-CG2 4.16Å; V971-I986 HydrophobicContact CG2-CG2 4.33Å; I986-L990 HydrophobicContact CB-CD2 4.04Å; I986-L990 HydrophobicContact CB-CG 4.5Å; I986-L990 HydrophobicContact CD1-CD2 4.39Å; I986-L990 HydrophobicContact CD1-CG 4.12Å; I986-L990 HydrophobicContact CG2-CD2 3.98Å; I986-A991 HydrophobicContact CG1-CB 4.17Å; I986-A994 HydrophobicContact CD1-CB 3.7Å; I986-F1038 HydrophobicContact CD1-CD2 4.35Å; I986-F1038 WeakPolarHBondContact CD1-O 3.24Å
987	F	96.9	Very high	91.1	Very high	12 Å²	12	38.7 Å²	38.7	5%	0.053	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	175.2	-174.7	55.3	-94.5	0	0	0	112.4	N817 C820 S821 P855 F858 L965 D967 A991	N817-F987 HydrophobicContact CB-CE2 4.49Å; N817-F987 WeakPolarHBondContact O-CE2 3.33Å; N817-F987 VanDerWaalsContact O-CZ 3.24Å; N817-F987 WeakPolarHBondContact O-CZ 3.37Å; C820-F987 HydrophobicContact CB-CD2 3.55Å; C820-F987 HydrophobicContact CB-CE2 3.41Å; C820-F987 VanDerWaalsContact CB-CE2 3.41Å; C820-F987 HydrophobicContact CB-CZ 4.3Å; S821-F987 VanDerWaalsContact CB-CE1 3.44Å; S821-F987 WeakPolarHBondContact OG-CE1 3.32Å; P855-F987 VanDerWaalsContact O-CZ 3.24Å; P855-F987 WeakPolarHBondContact O-CZ 3.1Å; F858-F987 AromaticContact CD1-CD1 3.76Å; F858-F987 HydrophobicContact CD1-CD1 3.76Å; F858-F987 HydrophobicContact CD1-CE1 4.27Å; F858-F987 HydrophobicContact CE1-CD1 4.11Å; L965-F987 HydrophobicContact CD1-CB 4.02Å; L965-F987 HydrophobicContact CD1-CD2 4.34Å; L965-F987 HydrophobicContact CD1-CG 4.37Å; D967-F987 CarbonylContact O-C 3.57Å; D967-F987 WeakPolarHBondContact O-CA 3.43Å; D967-F987 WeakPolarHBondContact O-CB 3.23Å; F987-A991 PolarHBondContact O-N 3.31Å
988	G	94.4	Very high	92.7	Very high	9 Å²	9	33.8 Å²	33.8	9%	0.093	17%	0.171	C	C	.	.	H	α-helix	trans	70.8	-147.4	174.2	0	0	0	0	0	113.3	L965 D967 L990 A991 K992	L965-G988 VanDerWaalsContact O-CA 3.24Å; L965-G988 WeakPolarHBondContact O-CA 3.35Å; L965-G988 PolarHBondContact O-N 3.35Å; D967-G988 PolarHBondContact O-N 2.94Å; G988-L990 PolarHBondContact O-N 3.26Å; G988-A991 PolarHBondContact O-N 2.86Å; G988-K992 PolarHBondContact O-N 3.24Å; G988-K992 VanDerWaalsContact O-N 3.1Å
989	H	93.1	Very high	94	Very high	140 Å²	140	35.5 Å²	35.5	65%	0.648	18%	0.182	S	C	*	.	H	α-helix	trans	-59.3	-33.4	175.5	-72.3	-72.2	0	0	0	112.7	L966 K992 S993	L966-H989 WeakPolarHBondContact CD1-NE2 3.26Å; H989-K992 PolarHBondContact O-N 2.84Å; H989-S993 WeakPolarHBondContact O-CB 3.22Å; H989-S993 PolarHBondContact O-N 3.4Å; H989-S993 PolarHBondContact O-OG 3.37Å
990	L	94.3	Very high	95	Very high	76 Å²	76	41.9 Å²	41.9	40%	0.398	21%	0.211	S	C	.	.	H	α-helix	trans	-62.6	-45.7	178.5	-169.2	69.3	0	0	0	111.1	I986 G988 A994 F1038	I986-L990 HydrophobicContact CB-CD2 4.04Å; I986-L990 HydrophobicContact CB-CG 4.5Å; I986-L990 HydrophobicContact CD1-CD2 4.39Å; I986-L990 HydrophobicContact CD1-CG 4.12Å; I986-L990 HydrophobicContact CG2-CD2 3.98Å; G988-L990 PolarHBondContact O-N 3.26Å; L990-A994 WeakPolarHBondContact O-CB 3.45Å; L990-A994 PolarHBondContact O-N 2.93Å; L990-F1038 HydrophobicContact CD1-CD2 3.79Å; L990-F1038 HydrophobicContact CD1-CE2 3.8Å; L990-F1038 HydrophobicContact CG-CD2 4.17Å; L990-F1038 HydrophobicContact CG-CE2 4.28Å; L990-F1038 WeakPolarHBondContact O-CE2 3.39Å
991	A	96.6	Very high	95.7	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-65.3	-41.4	175.3	0	0	0	0	0	112.4	D967 A969 I986 F987 G988 S993 A994 H995	D967-A991 HydrophobicContact CB-CB 3.91Å; A969-A991 HydrophobicContact CB-CB 3.96Å; I986-A991 HydrophobicContact CG1-CB 4.17Å; F987-A991 PolarHBondContact O-N 3.31Å; G988-A991 PolarHBondContact O-N 2.86Å; A991-S993 PolarHBondContact O-N 3.45Å; A991-A994 WeakPolarHBondContact O-CB 3.47Å; A991-A994 PolarHBondContact O-N 3Å; A991-A994 VanDerWaalsContact O-N 3.13Å; A991-H995 PolarHBondContact O-N 3.38Å
992	K	95.2	Very high	96	Very high	105 Å²	105	41.6 Å²	41.6	46%	0.457	21%	0.21	S	C	.	.	H	α-helix	trans	-61.5	-45	177.7	-170.8	172.7	-177.5	173.9	0	112.2	D967 G988 H989 A994 H995 Q996	D967-K992 HydrophobicContact CB-CB 4.2Å; G988-K992 PolarHBondContact O-N 3.24Å; G988-K992 VanDerWaalsContact O-N 3.1Å; H989-K992 PolarHBondContact O-N 2.84Å; K992-A994 VanDerWaalsContact C-N 3.31Å; K992-H995 PolarHBondContact O-N 2.93Å; K992-Q996 WeakPolarHBondContact O-CG 3.33Å; K992-Q996 PolarHBondContact O-N 3.4Å; K992-Q996 VanDerWaalsContact O-N 3.13Å
993	S	96.1	Very high	96	Very high	55 Å²	55	46.5 Å²	46.5	39%	0.385	23%	0.233	S	C	.	.	H	α-helix	trans	-65.8	-34.6	174.1	-66	0	0	0	0	112.1	H989 A991 Q996 C997	H989-S993 WeakPolarHBondContact O-CB 3.22Å; H989-S993 PolarHBondContact O-N 3.4Å; H989-S993 PolarHBondContact O-OG 3.37Å; A991-S993 PolarHBondContact O-N 3.45Å; S993-Q996 PolarHBondContact O-N 2.87Å; S993-C997 VanDerWaalsContact O-CB 3.31Å; S993-C997 WeakPolarHBondContact O-CB 3.46Å; S993-C997 PolarHBondContact O-N 3.33Å
994	A	96.7	Very high	95.9	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-64	-42.8	175.3	0	0	0	0	0	112.3	I986 L990 A991 K992 A998 F1038 P1040	I986-A994 HydrophobicContact CD1-CB 3.7Å; L990-A994 WeakPolarHBondContact O-CB 3.45Å; L990-A994 PolarHBondContact O-N 2.93Å; A991-A994 WeakPolarHBondContact O-CB 3.47Å; A991-A994 PolarHBondContact O-N 3Å; A991-A994 VanDerWaalsContact O-N 3.13Å; K992-A994 VanDerWaalsContact C-N 3.31Å; A994-A998 VanDerWaalsContact O-CB 3.29Å; A994-A998 WeakPolarHBondContact O-CB 3.46Å; A994-A998 PolarHBondContact O-N 2.98Å; A994-F1038 VanDerWaalsContact CA-CZ 3.46Å; A994-F1038 HydrophobicContact CB-CD2 4.14Å; A994-F1038 HydrophobicContact CB-CE1 4.28Å; A994-F1038 HydrophobicContact CB-CE2 3.8Å; A994-F1038 HydrophobicContact CB-CZ 3.89Å; A994-F1038 VanDerWaalsContact CB-O 3.25Å; A994-F1038 WeakPolarHBondContact CB-O 3.45Å; A994-P1040 HydrophobicContact CB-CG 4.15Å
995	H	97.1	Very high	95.6	Very high	19 Å²	19	48.9 Å²	48.9	9%	0.088	24%	0.243	C	C	.	.	H	α-helix	trans	-64.2	-43.6	174.3	-70.9	149.3	0	0	0	112.5	E884 D967 I968 A991 K992 C997 A998 D999	E884-H995 IonicContact OE2-NE2 2.85Å; E884-H995 PolarHBondContact OE2-NE2 3.23Å; D967-H995 IonicContact OD1-CE1 3.41Å; D967-H995 PolarHBondContact OD1-CE1 3.44Å; D967-H995 VanDerWaalsContact OD1-CE1 3.28Å; D967-H995 IonicContact OD1-ND1 3.35Å; D967-H995 PolarHBondContact OD1-ND1 2.97Å; D967-H995 IonicContact OD2-CE1 2.84Å; D967-H995 IonicContact OD2-CG 3.28Å; D967-H995 IonicContact OD2-ND1 3.97Å; D967-H995 PolarHBondContact OD2-ND1 2.96Å; I968-H995 PolarHBondContact O-CE1 3.5Å; I968-H995 VanDerWaalsContact O-CE1 3.29Å; A991-H995 PolarHBondContact O-N 3.38Å; K992-H995 PolarHBondContact O-N 2.93Å; H995-C997 PolarHBondContact O-N 3.16Å; H995-A998 WeakPolarHBondContact O-CB 3.45Å; H995-A998 PolarHBondContact O-N 2.91Å; H995-D999 PolarHBondContact O-N 3.1Å
996	Q	96	Very high	95.2	Very high	109 Å²	109	56 Å²	56	51%	0.509	27%	0.27	S	S	.	.	H	α-helix	trans	-60.1	-47.8	176.2	-71.4	173.5	-25.9	0	0	111.6	K992 S993 A998 D999 E1000	K992-Q996 WeakPolarHBondContact O-CG 3.33Å; K992-Q996 PolarHBondContact O-N 3.4Å; K992-Q996 VanDerWaalsContact O-N 3.13Å; S993-Q996 PolarHBondContact O-N 2.87Å; Q996-A998 VanDerWaalsContact C-N 3.31Å; Q996-A998 PolarHBondContact O-N 3.39Å; Q996-D999 PolarHBondContact O-N 3.33Å; Q996-E1000 PolarHBondContact O-N 3.2Å
997	C	95.9	Very high	94.8	Very high	22 Å²	22	58.6 Å²	58.6	15%	0.149	29%	0.288	C	S	.	.	H	α-helix	trans	-62.4	-38.6	176.6	-176.4	0	0	0	0	112	S993 H995 E1000 L1001 F1038	S993-C997 VanDerWaalsContact O-CB 3.31Å; S993-C997 WeakPolarHBondContact O-CB 3.46Å; S993-C997 PolarHBondContact O-N 3.33Å; H995-C997 PolarHBondContact O-N 3.16Å; C997-E1000 PolarHBondContact O-N 3.35Å; C997-L1001 WeakPolarHBondContact O-CB 3.37Å; C997-L1001 VanDerWaalsContact O-CG 3.31Å; C997-L1001 WeakPolarHBondContact O-CG 3.31Å; C997-L1001 PolarHBondContact O-N 3.36Å; C997-F1038 HydrophobicContact CB-CE1 4.05Å
998	A	96.1	Very high	94.5	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-60.6	-46.4	175.9	0	0	0	0	0	112.5	A994 H995 Q996 E1000 L1001 I1002 L1039 P1040 A1043	A994-A998 VanDerWaalsContact O-CB 3.29Å; A994-A998 WeakPolarHBondContact O-CB 3.46Å; A994-A998 PolarHBondContact O-N 2.98Å; H995-A998 WeakPolarHBondContact O-CB 3.45Å; H995-A998 PolarHBondContact O-N 2.91Å; Q996-A998 VanDerWaalsContact C-N 3.31Å; Q996-A998 PolarHBondContact O-N 3.39Å; A998-E1000 PolarHBondContact O-N 2.87Å; A998-L1001 PolarHBondContact O-N 3.27Å; A998-I1002 WeakPolarHBondContact O-CB 3.43Å; A998-I1002 WeakPolarHBondContact O-CD1 3.15Å; A998-I1002 WeakPolarHBondContact O-CG1 3.5Å; A998-I1002 PolarHBondContact O-N 2.99Å; A998-L1039 HydrophobicContact CB-CD1 4.25Å; A998-P1040 HydrophobicContact CB-CG 3.98Å; A998-A1043 HydrophobicContact CB-CB 3.56Å
999	D	94.7	Very high	94	Very high	84 Å²	84	61.5 Å²	61.5	45%	0.449	30%	0.297	S	S	.	.	H	α-helix	trans	-62.8	-43.5	-179.6	-73.7	-22.4	0	0	0	111.4	H995 Q996 Q1003	H995-D999 PolarHBondContact O-N 3.1Å; Q996-D999 PolarHBondContact O-N 3.33Å; D999-Q1003 VanDerWaalsContact O-CB 3.31Å; D999-Q1003 WeakPolarHBondContact O-CB 3.36Å; D999-Q1003 PolarHBondContact O-N 3.45Å
1000	E	96.3	Very high	93.5	Very high	137 Å²	137	61.2 Å²	61.2	64%	0.64	29%	0.294	S	S	*	.	H	α-helix	trans	-60.7	-49.3	175.2	-70	175.9	-177.2	0	0	112	Q996 C997 A998 Q1003 E1004	Q996-E1000 PolarHBondContact O-N 3.2Å; C997-E1000 PolarHBondContact O-N 3.35Å; A998-E1000 PolarHBondContact O-N 2.87Å; E1000-Q1003 PolarHBondContact O-N 3.24Å; E1000-E1004 WeakPolarHBondContact O-CB 3.22Å; E1000-E1004 PolarHBondContact O-N 3.06Å
1001	L	96.1	Very high	93	Very high	18 Å²	18	62.1 Å²	62.1	9%	0.094	30%	0.299	C	S	.	.	H	α-helix	trans	-66.6	-40.2	-178.7	-73	174.3	0	0	0	112.5	C997 A998 G1005 W1025 V1029 Y1035 L1039 L1047	C997-L1001 WeakPolarHBondContact O-CB 3.37Å; C997-L1001 VanDerWaalsContact O-CG 3.31Å; C997-L1001 WeakPolarHBondContact O-CG 3.31Å; C997-L1001 PolarHBondContact O-N 3.36Å; A998-L1001 PolarHBondContact O-N 3.27Å; L1001-G1005 PolarHBondContact O-N 2.96Å; L1001-W1025 HydrophobicContact CD2-CH2 4.34Å; L1001-W1025 HydrophobicContact CD2-CZ2 4.01Å; L1001-V1029 HydrophobicContact CD1-CG1 4.11Å; L1001-V1029 HydrophobicContact CD2-CG1 4.18Å; L1001-V1029 HydrophobicContact CD2-CG2 4.35Å; L1001-Y1035 HydrophobicContact CD1-CD1 4.43Å; L1001-Y1035 HydrophobicContact CD1-CE1 3.95Å; L1001-Y1035 HydrophobicContact CD1-CE2 4.41Å; L1001-L1039 HydrophobicContact CD1-CD1 3.83Å; L1001-L1047 HydrophobicContact CB-CD1 4.28Å
1002	I	94.2	Very high	92.2	Very high	14 Å²	14	62.4 Å²	62.4	7%	0.072	30%	0.301	C	S	.	.	H	α-helix	trans	-65.1	-42.3	176.7	-69.4	167.3	0	0	0	110.2	A998 G1005 R1006 Y1042 A1043 A1046	A998-I1002 WeakPolarHBondContact O-CB 3.43Å; A998-I1002 WeakPolarHBondContact O-CD1 3.15Å; A998-I1002 WeakPolarHBondContact O-CG1 3.5Å; A998-I1002 PolarHBondContact O-N 2.99Å; I1002-G1005 PolarHBondContact O-N 3.06Å; I1002-R1006 WeakPolarHBondContact O-CG 3.24Å; I1002-R1006 PolarHBondContact O-N 3.33Å; I1002-Y1042 HydrophobicContact CD1-CD2 4.17Å; I1002-Y1042 HydrophobicContact CD1-CE2 3.58Å; I1002-A1043 HydrophobicContact CD1-CB 3.74Å; I1002-A1043 HydrophobicContact CG1-CB 4.13Å; I1002-A1046 HydrophobicContact CG1-CB 4.45Å
1003	Q	94.8	Very high	91.1	Very high	147 Å²	147	60.1 Å²	60.1	69%	0.687	29%	0.293	S	S	*	.	H	α-helix	trans	-63.8	-46.6	179	-175.9	174	-4.8	0	0	111.3	D999 E1000 R1006 S1007	D999-Q1003 VanDerWaalsContact O-CB 3.31Å; D999-Q1003 WeakPolarHBondContact O-CB 3.36Å; D999-Q1003 PolarHBondContact O-N 3.45Å; E1000-Q1003 PolarHBondContact O-N 3.24Å; Q1003-R1006 PolarHBondContact O-N 2.73Å; Q1003-S1007 PolarHBondContact O-N 3.09Å; Q1003-S1007 VanDerWaalsContact O-N 3.1Å
1004	E	95.3	Very high	89.9	Confident	75 Å²	75	63.9 Å²	63.9	35%	0.35	30%	0.304	S	S	.	.	H	α-helix	trans	-63.7	-42.1	175.9	179.6	61.8	-173.6	0	0	111.5	E1000 S1007 R1008 W1025	E1000-E1004 WeakPolarHBondContact O-CB 3.22Å; E1000-E1004 PolarHBondContact O-N 3.06Å; E1004-S1007 WeakPolarHBondContact O-CB 3.49Å; E1004-S1007 PolarHBondContact O-N 2.94Å; E1004-R1008 WeakPolarHBondContact O-CG 3.37Å; E1004-R1008 PolarHBondContact O-N 3.4Å; E1004-R1008 IonicContact OE1-CZ 3.46Å; E1004-R1008 IonicContact OE1-NE 3.48Å; E1004-R1008 PolarHBondContact OE1-NE 3.03Å; E1004-R1008 IonicContact OE1-NH2 2.75Å; E1004-R1008 PolarHBondContact OE1-NH2 3.16Å; E1004-W1025 HydrophobicContact CB-CH2 4.22Å; E1004-W1025 HydrophobicContact CB-CZ2 4.16Å; E1004-W1025 HydrophobicContact CG-CH2 3.98Å; E1004-W1025 HydrophobicContact CG-CZ2 3.6Å
1005	G	91.7	Very high	88.8	Confident	0 Å²	0	67 Å²	67	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-55.4	-54.5	173.8	0	0	0	0	0	111.5	L1001 I1002 S1007 R1008 E1009 Y1026	L1001-G1005 PolarHBondContact O-N 2.96Å; I1002-G1005 PolarHBondContact O-N 3.06Å; G1005-S1007 VanDerWaalsContact C-N 3.25Å; G1005-S1007 PolarHBondContact O-N 3.16Å; G1005-R1008 WeakPolarHBondContact O-CB 3.46Å; G1005-R1008 PolarHBondContact O-N 2.96Å; G1005-E1009 PolarHBondContact O-N 3.06Å; G1005-Y1026 VanDerWaalsContact CA-OH 3.32Å; G1005-Y1026 WeakPolarHBondContact CA-OH 3.45Å; G1005-Y1026 PolarHBondContact O-OH 3.19Å
1006	R	89.2	Confident	87.4	Confident	150 Å²	150	69.9 Å²	69.9	57%	0.566	34%	0.342	S	S	*	.	H	α-helix	trans	-56.9	-38.8	178.5	-73.2	173.3	176.9	-178.4	-1.8	112.9	I1002 Q1003 K1010	I1002-R1006 WeakPolarHBondContact O-CG 3.24Å; I1002-R1006 PolarHBondContact O-N 3.33Å; Q1003-R1006 PolarHBondContact O-N 2.73Å; R1006-K1010 WeakPolarHBondContact O-CB 3.35Å; R1006-K1010 PolarHBondContact O-N 2.96Å; R1006-K1010 VanDerWaalsContact O-N 3.08Å
1007	S	90.3	Very high	86.1	Confident	59 Å²	59	74.1 Å²	74.1	41%	0.413	36%	0.358	S	S	.	.	H	α-helix	trans	-62.1	-46.3	175	-173.7	0	0	0	0	111.6	Q1003 E1004 G1005 K1010 L1011	Q1003-S1007 PolarHBondContact O-N 3.09Å; Q1003-S1007 VanDerWaalsContact O-N 3.1Å; E1004-S1007 WeakPolarHBondContact O-CB 3.49Å; E1004-S1007 PolarHBondContact O-N 2.94Å; G1005-S1007 VanDerWaalsContact C-N 3.25Å; G1005-S1007 PolarHBondContact O-N 3.16Å; S1007-K1010 PolarHBondContact O-N 3.28Å; S1007-L1011 WeakPolarHBondContact O-CG 3.48Å; S1007-L1011 PolarHBondContact O-N 3.2Å
1008	R	90.3	Very high	85.1	Confident	52 Å²	52	78.7 Å²	78.7	20%	0.196	38%	0.375	C	S	.	.	H	α-helix	trans	-66.4	-42.8	178.7	-72.3	176.8	178.2	-94.7	-13.9	113.2	E1004 G1005 K1010 L1011 A1012 H1022 W1025 Y1026	E1004-R1008 WeakPolarHBondContact O-CG 3.37Å; E1004-R1008 PolarHBondContact O-N 3.4Å; E1004-R1008 IonicContact OE1-CZ 3.46Å; E1004-R1008 IonicContact OE1-NE 3.48Å; E1004-R1008 PolarHBondContact OE1-NE 3.03Å; E1004-R1008 IonicContact OE1-NH2 2.75Å; E1004-R1008 PolarHBondContact OE1-NH2 3.16Å; G1005-R1008 WeakPolarHBondContact O-CB 3.46Å; G1005-R1008 PolarHBondContact O-N 2.96Å; R1008-K1010 VanDerWaalsContact C-N 3.35Å; R1008-L1011 PolarHBondContact O-N 2.97Å; R1008-A1012 WeakPolarHBondContact O-CB 3.31Å; R1008-A1012 PolarHBondContact O-N 3.22Å; R1008-H1022 HydrophobicContact CB-CB 4.34Å; R1008-W1025 VanDerWaalsContact NH1-CG 3.31Å; R1008-Y1026 HydrophobicContact CB-CE2 4.38Å
1009	E	84.8	Confident	84.2	Confident	30 Å²	30	78.9 Å²	78.9	14%	0.14	38%	0.377	C	S	.	.	H	α-helix	trans	-55.8	-52.2	173	-177.8	-177.3	-147.7	0	0	109.8	G1005 L1011 A1012 I1013 H1053 I1054	G1005-E1009 PolarHBondContact O-N 3.06Å; E1009-L1011 VanDerWaalsContact C-N 3.3Å; E1009-L1011 PolarHBondContact O-N 3.13Å; E1009-A1012 PolarHBondContact O-N 2.89Å; E1009-A1012 VanDerWaalsContact O-N 3.14Å; E1009-I1013 HydrophobicContact CG-CD1 3.84Å; E1009-I1013 WeakPolarHBondContact O-CD1 3.24Å; E1009-I1013 WeakPolarHBondContact O-CG1 3.29Å; E1009-I1013 PolarHBondContact O-N 3.12Å; E1009-H1053 WeakPolarHBondContact OE1-CB 3.44Å; E1009-H1053 IonicContact OE1-CG 2.74Å; E1009-H1053 IonicContact OE1-ND1 2.67Å; E1009-H1053 PolarHBondContact OE1-ND1 3.03Å; E1009-I1054 HydrophobicContact CB-CD1 4.08Å; E1009-I1054 HydrophobicContact CB-CG1 4.35Å; E1009-I1054 HydrophobicContact CG-CD1 4.29Å; E1009-I1054 HydrophobicContact CG-CG1 4.01Å
1010	K	82.4	Confident	83.5	Confident	134 Å²	134	77.6 Å²	77.6	58%	0.583	38%	0.378	S	S	*	.	H	α-helix	trans	-55	-44.5	176	-168.2	177.6	-179	179.9	0	111.8	R1006 S1007 R1008 I1013 H1014	R1006-K1010 WeakPolarHBondContact O-CB 3.35Å; R1006-K1010 PolarHBondContact O-N 2.96Å; R1006-K1010 VanDerWaalsContact O-N 3.08Å; S1007-K1010 PolarHBondContact O-N 3.28Å; R1008-K1010 VanDerWaalsContact C-N 3.35Å; K1010-I1013 WeakPolarHBondContact O-CB 3.38Å; K1010-I1013 PolarHBondContact O-N 3.37Å; K1010-H1014 PolarHBondContact O-N 3.06Å; K1010-H1014 PolarHBondContact O-ND1 2.96Å
1011	L	83.8	Confident	83	Confident	95 Å²	95	76.1 Å²	76.1	50%	0.497	37%	0.374	S	S	.	.	H	α-helix	trans	-66.5	-40.7	178.2	-71	169.9	0	0	0	113.3	S1007 R1008 E1009 I1013 H1014 N1015	S1007-L1011 WeakPolarHBondContact O-CG 3.48Å; S1007-L1011 PolarHBondContact O-N 3.2Å; R1008-L1011 PolarHBondContact O-N 2.97Å; E1009-L1011 VanDerWaalsContact C-N 3.3Å; E1009-L1011 PolarHBondContact O-N 3.13Å; L1011-I1013 VanDerWaalsContact C-N 3.29Å; L1011-I1013 PolarHBondContact O-N 3.41Å; L1011-H1014 PolarHBondContact O-N 2.9Å; L1011-N1015 PolarHBondContact O-N 3.33Å
1012	A	80.1	Confident	82.7	Confident	5 Å²	5	76.2 Å²	76.2	4%	0.041	37%	0.373	C	S	.	.	H	α-helix	trans	-62.6	-38.7	177.9	0	0	0	0	0	111.8	R1008 E1009 N1015 A1019 H1022 I1054	R1008-A1012 WeakPolarHBondContact O-CB 3.31Å; R1008-A1012 PolarHBondContact O-N 3.22Å; E1009-A1012 PolarHBondContact O-N 2.89Å; E1009-A1012 VanDerWaalsContact O-N 3.14Å; A1012-N1015 CarbonylContact O-C 3.54Å; A1012-N1015 VanDerWaalsContact O-C 3.31Å; A1012-A1019 HydrophobicContact CB-CB 4.14Å; A1012-H1022 HydrophobicContact CB-CB 4.04Å; A1012-I1054 HydrophobicContact CB-CD1 4.1Å; A1012-I1054 HydrophobicContact CB-CG1 4.15Å; A1012-I1054 HydrophobicContact CB-CG2 3.87Å
1013	I	70.6	Confident	82.4	Confident	58 Å²	58	76.8 Å²	76.8	30%	0.297	38%	0.377	S	S	.	.	H	α-helix	trans	-60.6	-50.6	175.2	-68.6	168	0	0	0	111.1	E1009 K1010 L1011 N1015 I1060	E1009-I1013 HydrophobicContact CG-CD1 3.84Å; E1009-I1013 WeakPolarHBondContact O-CD1 3.24Å; E1009-I1013 WeakPolarHBondContact O-CG1 3.29Å; E1009-I1013 PolarHBondContact O-N 3.12Å; K1010-I1013 WeakPolarHBondContact O-CB 3.38Å; K1010-I1013 PolarHBondContact O-N 3.37Å; L1011-I1013 VanDerWaalsContact C-N 3.29Å; L1011-I1013 PolarHBondContact O-N 3.41Å; I1013-N1015 VanDerWaalsContact C-N 3.32Å; I1013-N1015 PolarHBondContact O-N 3.34Å; I1013-I1060 HydrophobicContact CB-CG2 4.02Å; I1013-I1060 HydrophobicContact CD1-CB 4.25Å; I1013-I1060 HydrophobicContact CD1-CD1 4.3Å; I1013-I1060 HydrophobicContact CD1-CG1 3.89Å; I1013-I1060 HydrophobicContact CD1-CG2 3.34Å; I1013-I1060 HydrophobicContact CG1-CB 4.16Å; I1013-I1060 HydrophobicContact CG1-CD1 3.59Å; I1013-I1060 HydrophobicContact CG1-CG1 3.72Å; I1013-I1060 HydrophobicContact CG1-CG2 3.48Å; I1013-I1060 VanDerWaalsContact CG1-CG2 3.48Å; I1013-I1060 HydrophobicContact CG2-CG2 3.42Å; I1013-I1060 VanDerWaalsContact CG2-CG2 3.42Å
1014	H	71.6	Confident	82.1	Confident	134 Å²	134	74.5 Å²	74.5	62%	0.62	37%	0.369	S	S	*	.	H	α-helix	trans	-75.4	-23.5	-175.4	-69.2	75.2	0	0	0	112.4	K1010 L1011	K1010-H1014 PolarHBondContact O-N 3.06Å; K1010-H1014 PolarHBondContact O-ND1 2.96Å; L1011-H1014 PolarHBondContact O-N 2.9Å
1015	N	74.2	Confident	82	Confident	64 Å²	64	73.2 Å²	73.2	34%	0.342	36%	0.361	S	S	.	.			trans	-133.4	84.5	178.6	-166.3	-18.5	0	0	0	111.7	L1011 A1012 I1013 K1017 K1018 A1019	L1011-N1015 PolarHBondContact O-N 3.33Å; A1012-N1015 CarbonylContact O-C 3.54Å; A1012-N1015 VanDerWaalsContact O-C 3.31Å; I1013-N1015 VanDerWaalsContact C-N 3.32Å; I1013-N1015 PolarHBondContact O-N 3.34Å; N1015-K1017 PolarHBondContact O-N 2.93Å; N1015-K1017 PolarHBondContact OD1-N 3.1Å; N1015-K1018 HydrophobicContact CB-CB 4.48Å; N1015-K1018 PolarHBondContact O-N 3.42Å; N1015-A1019 PolarHBondContact O-N 3.41Å
1016	P	66.9	Low	82.1	Confident	81 Å²	81	73.2 Å²	73.2	53%	0.526	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-22.4	-176.9	-25.9	33.9	0	0	0	114.5	K1018 A1019	P1016-K1018 VanDerWaalsContact C-N 3.28Å; P1016-K1018 PolarHBondContact O-N 2.95Å; P1016-A1019 WeakPolarHBondContact O-CB 3.45Å; P1016-A1019 PolarHBondContact O-N 3.23Å
1017	K	68.7	Low	82.2	Confident	198 Å²	198	70.3 Å²	70.3	86%	0.861	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-23.7	175.9	-65.7	-175.7	178.6	-179.6	0	112.7	N1015	N1015-K1017 PolarHBondContact O-N 2.93Å; N1015-K1017 PolarHBondContact OD1-N 3.1Å
1018	K	74.8	Confident	82.3	Confident	117 Å²	117	71.3 Å²	71.3	51%	0.509	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-4.2	176.5	-67.5	-169.6	177.3	-174	0	113.5	N1015 P1016 A1020 I1021 H1022	N1015-K1018 HydrophobicContact CB-CB 4.48Å; N1015-K1018 PolarHBondContact O-N 3.42Å; P1016-K1018 VanDerWaalsContact C-N 3.28Å; P1016-K1018 PolarHBondContact O-N 2.95Å; K1018-A1020 PolarHBondContact O-N 3.42Å; K1018-A1020 VanDerWaalsContact O-N 3.16Å; K1018-I1021 PolarHBondContact O-N 2.96Å; K1018-I1021 VanDerWaalsContact O-N 3.12Å; K1018-H1022 PolarHBondContact O-CD2 2.86Å; K1018-H1022 VanDerWaalsContact O-CD2 3.25Å; K1018-H1022 PolarHBondContact O-N 3.37Å
1019	A	77.2	Confident	82.5	Confident	4 Å²	4	69.4 Å²	69.4	3%	0.033	36%	0.355	C	S	.	.	H	α-helix	trans	-54.8	-36	-179.1	0	0	0	0	0	112.8	A1012 N1015 P1016 I1021 H1022 I1023 I1054	A1012-A1019 HydrophobicContact CB-CB 4.14Å; N1015-A1019 PolarHBondContact O-N 3.41Å; P1016-A1019 WeakPolarHBondContact O-CB 3.45Å; P1016-A1019 PolarHBondContact O-N 3.23Å; A1019-I1021 PolarHBondContact O-N 3.46Å; A1019-H1022 PolarHBondContact O-N 3.47Å; A1019-H1022 VanDerWaalsContact O-N 3.15Å; A1019-I1023 WeakPolarHBondContact O-CG1 3.46Å; A1019-I1023 PolarHBondContact O-N 2.89Å; A1019-I1054 HydrophobicContact CB-CG2 4.17Å
1020	A	80.2	Confident	82.8	Confident	57 Å²	57	68.5 Å²	68.5	47%	0.471	35%	0.351	S	S	.	.	H	α-helix	trans	-56.8	-46.5	177.4	0	0	0	0	0	112.8	K1018 H1022 I1023 D1024	K1018-A1020 PolarHBondContact O-N 3.42Å; K1018-A1020 VanDerWaalsContact O-N 3.16Å; A1020-H1022 PolarHBondContact O-N 3.09Å; A1020-I1023 WeakPolarHBondContact O-CB 3.23Å; A1020-I1023 PolarHBondContact O-N 2.88Å; A1020-D1024 VanDerWaalsContact O-CG 3.23Å; A1020-D1024 PolarHBondContact O-N 3.39Å
1021	I	86.3	Confident	83.3	Confident	107 Å²	107	68 Å²	68	55%	0.549	35%	0.354	S	S	.	.	H	α-helix	trans	-63.7	-34.2	179.8	-60.9	167.6	0	0	0	111.1	K1018 A1019 W1025	K1018-I1021 PolarHBondContact O-N 2.96Å; K1018-I1021 VanDerWaalsContact O-N 3.12Å; A1019-I1021 PolarHBondContact O-N 3.46Å; I1021-W1025 PolarHBondContact O-N 3.43Å
1022	H	89.1	Confident	83.7	Confident	19 Å²	19	66.2 Å²	66.2	9%	0.088	35%	0.346	C	S	.	.	H	α-helix	trans	-73.7	-41.5	177.1	-62.5	-58.4	0	0	0	111.4	R1008 A1012 K1018 A1019 A1020 W1025 Y1026	R1008-H1022 HydrophobicContact CB-CB 4.34Å; A1012-H1022 HydrophobicContact CB-CB 4.04Å; K1018-H1022 PolarHBondContact O-CD2 2.86Å; K1018-H1022 VanDerWaalsContact O-CD2 3.25Å; K1018-H1022 PolarHBondContact O-N 3.37Å; A1019-H1022 PolarHBondContact O-N 3.47Å; A1019-H1022 VanDerWaalsContact O-N 3.15Å; A1020-H1022 PolarHBondContact O-N 3.09Å; H1022-W1025 WeakPolarHBondContact O-CB 3.45Å; H1022-W1025 PolarHBondContact O-N 2.79Å; H1022-Y1026 WeakPolarHBondContact O-CD2 3.18Å; H1022-Y1026 PolarHBondContact O-N 3.43Å
1023	I	87	Confident	84.1	Confident	27 Å²	27	71 Å²	71	14%	0.138	38%	0.376	C	S	.	.	H	α-helix	trans	-56.1	-49.7	172.5	-71	161.4	0	0	0	110.4	A1019 A1020 W1025 Y1026 E1027 L1051 I1054 N1055	A1019-I1023 WeakPolarHBondContact O-CG1 3.46Å; A1019-I1023 PolarHBondContact O-N 2.89Å; A1020-I1023 WeakPolarHBondContact O-CB 3.23Å; A1020-I1023 PolarHBondContact O-N 2.88Å; I1023-W1025 PolarHBondContact O-N 3.41Å; I1023-Y1026 PolarHBondContact O-N 3.23Å; I1023-E1027 HydrophobicContact CG2-CG 4.4Å; I1023-E1027 PolarHBondContact O-N 3.2Å; I1023-L1051 HydrophobicContact CB-CD1 4.3Å; I1023-L1051 HydrophobicContact CG1-CD1 4.19Å; I1023-L1051 HydrophobicContact CG2-CD1 3.96Å; I1023-I1054 HydrophobicContact CD1-CG2 3.91Å; I1023-I1054 HydrophobicContact CG1-CB 4.4Å; I1023-I1054 HydrophobicContact CG1-CG2 3.62Å; I1023-N1055 VanDerWaalsContact CD1-OD1 3.23Å; I1023-N1055 WeakPolarHBondContact CD1-OD1 3.43Å
1024	D	88.8	Confident	85	Confident	99 Å²	99	74.1 Å²	74.1	53%	0.529	39%	0.389	S	S	.	.	H	α-helix	trans	-57.1	-37.6	179.3	-66	-16.1	0	0	0	111.9	A1020 S1028	A1020-D1024 VanDerWaalsContact O-CG 3.23Å; A1020-D1024 PolarHBondContact O-N 3.39Å; D1024-S1028 VanDerWaalsContact O-CB 3.32Å; D1024-S1028 WeakPolarHBondContact O-CB 3.35Å; D1024-S1028 PolarHBondContact O-N 2.93Å
1025	W	94.3	Very high	85.9	Confident	47 Å²	47	70 Å²	70	18%	0.178	37%	0.369	C	S	.	.	H	α-helix	trans	-65.4	-45	176	178.1	85.7	0	0	0	112.3	L1001 E1004 R1008 I1021 H1022 I1023 S1028 V1029 L1047	L1001-W1025 HydrophobicContact CD2-CH2 4.34Å; L1001-W1025 HydrophobicContact CD2-CZ2 4.01Å; E1004-W1025 HydrophobicContact CB-CH2 4.22Å; E1004-W1025 HydrophobicContact CB-CZ2 4.16Å; E1004-W1025 HydrophobicContact CG-CH2 3.98Å; E1004-W1025 HydrophobicContact CG-CZ2 3.6Å; R1008-W1025 VanDerWaalsContact NH1-CG 3.31Å; I1021-W1025 PolarHBondContact O-N 3.43Å; H1022-W1025 WeakPolarHBondContact O-CB 3.45Å; H1022-W1025 PolarHBondContact O-N 2.79Å; I1023-W1025 PolarHBondContact O-N 3.41Å; W1025-S1028 PolarHBondContact O-N 3.35Å; W1025-V1029 HydrophobicContact CD2-CG2 4.19Å; W1025-V1029 HydrophobicContact CH2-CG2 4.37Å; W1025-V1029 HydrophobicContact CZ2-CG2 3.91Å; W1025-V1029 WeakPolarHBondContact O-CG2 3.42Å; W1025-V1029 PolarHBondContact O-N 3.41Å; W1025-L1047 HydrophobicContact CH2-CD2 4.42Å; W1025-L1047 HydrophobicContact CZ3-CD2 4.34Å
1026	Y	92.9	Very high	86.4	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-62.1	-45	176.3	-79	-79.5	0	0	0	111.5	G1005 R1008 H1022 I1023 S1028 V1029 L1030 L1047 N1050 L1051 I1054	G1005-Y1026 VanDerWaalsContact CA-OH 3.32Å; G1005-Y1026 WeakPolarHBondContact CA-OH 3.45Å; G1005-Y1026 PolarHBondContact O-OH 3.19Å; R1008-Y1026 HydrophobicContact CB-CE2 4.38Å; H1022-Y1026 WeakPolarHBondContact O-CD2 3.18Å; H1022-Y1026 PolarHBondContact O-N 3.43Å; I1023-Y1026 PolarHBondContact O-N 3.23Å; Y1026-S1028 VanDerWaalsContact C-N 3.32Å; Y1026-S1028 PolarHBondContact O-N 3.3Å; Y1026-V1029 PolarHBondContact O-N 2.85Å; Y1026-L1030 WeakPolarHBondContact O-CB 3.37Å; Y1026-L1030 VanDerWaalsContact O-CG 3.31Å; Y1026-L1030 WeakPolarHBondContact O-CG 3.46Å; Y1026-L1030 PolarHBondContact O-N 3.2Å; Y1026-L1047 HydrophobicContact CD1-CB 4.22Å; Y1026-L1047 HydrophobicContact CD1-CD2 4.21Å; Y1026-L1047 WeakPolarHBondContact CD1-O 3.25Å; Y1026-L1047 HydrophobicContact CE1-CB 4.33Å; Y1026-L1047 HydrophobicContact CE1-CD2 3.79Å; Y1026-N1050 HydrophobicContact CE1-CB 3.71Å; Y1026-N1050 VanDerWaalsContact OH-CB 3.25Å; Y1026-N1050 WeakPolarHBondContact OH-CB 3.32Å; Y1026-L1051 HydrophobicContact CD1-CB 4.28Å; Y1026-L1051 HydrophobicContact CD2-CD1 4.5Å; Y1026-L1051 HydrophobicContact CG-CB 4.06Å; Y1026-L1051 HydrophobicContact CG-CD1 4.4Å; Y1026-I1054 HydrophobicContact CD2-CD1 3.97Å; Y1026-I1054 HydrophobicContact CE2-CD1 3.34Å
1027	E	91.9	Very high	87.2	Confident	90 Å²	90	70 Å²	70	42%	0.421	38%	0.379	S	S	.	.	H	α-helix	trans	-62.9	-39.5	178.1	-69.4	-172.6	167	0	0	111.6	I1023 N1031 L1051	I1023-E1027 HydrophobicContact CG2-CG 4.4Å; I1023-E1027 PolarHBondContact O-N 3.2Å; E1027-N1031 VanDerWaalsContact O-CB 3.26Å; E1027-N1031 WeakPolarHBondContact O-CB 3.14Å; E1027-N1031 PolarHBondContact O-N 2.96Å; E1027-N1031 VanDerWaalsContact O-N 3.09Å; E1027-N1031 PolarHBondContact O-ND2 3.42Å; E1027-L1051 HydrophobicContact CG-CD2 4.18Å
1028	S	93.3	Very high	88.5	Confident	80 Å²	80	61.9 Å²	61.9	56%	0.559	34%	0.344	S	S	*	.	H	α-helix	trans	-61.7	-47.3	174.9	-175.8	0	0	0	0	111.9	D1024 W1025 Y1026 D1032	D1024-S1028 VanDerWaalsContact O-CB 3.32Å; D1024-S1028 WeakPolarHBondContact O-CB 3.35Å; D1024-S1028 PolarHBondContact O-N 2.93Å; W1025-S1028 PolarHBondContact O-N 3.35Å; Y1026-S1028 VanDerWaalsContact C-N 3.32Å; Y1026-S1028 PolarHBondContact O-N 3.3Å; S1028-D1032 PolarHBondContact O-N 3.07Å; S1028-D1032 VanDerWaalsContact O-N 3.16Å
1029	V	93.1	Very high	89.5	Confident	11 Å²	11	56.6 Å²	56.6	7%	0.067	32%	0.321	C	S	.	.	H	α-helix	trans	-66.8	-45.5	179.6	172.2	0	0	0	0	110.7	L1001 W1025 Y1026 N1031 D1032 Y1035 L1047	L1001-V1029 HydrophobicContact CD1-CG1 4.11Å; L1001-V1029 HydrophobicContact CD2-CG1 4.18Å; L1001-V1029 HydrophobicContact CD2-CG2 4.35Å; W1025-V1029 HydrophobicContact CD2-CG2 4.19Å; W1025-V1029 HydrophobicContact CH2-CG2 4.37Å; W1025-V1029 HydrophobicContact CZ2-CG2 3.91Å; W1025-V1029 WeakPolarHBondContact O-CG2 3.42Å; W1025-V1029 PolarHBondContact O-N 3.41Å; Y1026-V1029 PolarHBondContact O-N 2.85Å; V1029-N1031 VanDerWaalsContact C-N 3.27Å; V1029-N1031 PolarHBondContact O-N 2.95Å; V1029-D1032 PolarHBondContact O-N 3.24Å; V1029-Y1035 HydrophobicContact CB-CE2 4.49Å; V1029-Y1035 HydrophobicContact CG1-CD2 3.95Å; V1029-Y1035 HydrophobicContact CG1-CE2 3.87Å; V1029-Y1035 VanDerWaalsContact O-CD2 3.28Å; V1029-Y1035 WeakPolarHBondContact O-CD2 3.43Å; V1029-L1047 HydrophobicContact CG1-CD1 4.02Å
1030	L	91.9	Very high	90.5	Very high	12 Å²	12	56.4 Å²	56.4	6%	0.063	32%	0.319	C	S	.	.	H	α-helix	trans	-69.7	-24.2	-175.8	-71.8	170.7	0	0	0	113.8	Y1026 R1044 L1047 E1048 L1051	Y1026-L1030 WeakPolarHBondContact O-CB 3.37Å; Y1026-L1030 VanDerWaalsContact O-CG 3.31Å; Y1026-L1030 WeakPolarHBondContact O-CG 3.46Å; Y1026-L1030 PolarHBondContact O-N 3.2Å; L1030-R1044 HydrophobicContact CD2-CG 3.8Å; L1030-R1044 PolarHBondContact O-NH1 2.95Å; L1030-R1044 PolarHBondContact O-NH2 3.14Å; L1030-L1047 HydrophobicContact CD2-CB 4.1Å; L1030-E1048 HydrophobicContact CD1-CG 3.74Å; L1030-E1048 HydrophobicContact CD2-CG 3.8Å; L1030-E1048 HydrophobicContact CG-CG 4.43Å; L1030-L1051 HydrophobicContact CD1-CD2 3.9Å
1031	N	92.2	Very high	91.2	Very high	122 Å²	122	53.9 Å²	53.9	65%	0.652	30%	0.298	S	S	*	.	H	α-helix	trans	-99.2	-1.4	178.3	-65.9	-47.1	0	0	0	113.9	E1027 V1029 P1033	E1027-N1031 VanDerWaalsContact O-CB 3.26Å; E1027-N1031 WeakPolarHBondContact O-CB 3.14Å; E1027-N1031 PolarHBondContact O-N 2.96Å; E1027-N1031 VanDerWaalsContact O-N 3.09Å; E1027-N1031 PolarHBondContact O-ND2 3.42Å; V1029-N1031 VanDerWaalsContact C-N 3.27Å; V1029-N1031 PolarHBondContact O-N 2.95Å; N1031-P1033 WeakPolarHBondContact O-CD 3.4Å
1032	D	91.6	Very high	91.7	Very high	58 Å²	58	49.6 Å²	49.6	31%	0.31	28%	0.275	S	S	.	.			trans	-67	123	178	-163.1	-42	0	0	0	110.6	S1028 V1029 H1034 Y1035 T1036	S1028-D1032 PolarHBondContact O-N 3.07Å; S1028-D1032 VanDerWaalsContact O-N 3.16Å; V1029-D1032 PolarHBondContact O-N 3.24Å; D1032-H1034 PolarHBondContact O-N 2.93Å; D1032-H1034 WeakPolarHBondContact OD1-CB 3.24Å; D1032-H1034 PolarHBondContact OD1-N 3.07Å; D1032-Y1035 HydrophobicContact CB-CD2 3.59Å; D1032-Y1035 HydrophobicContact CB-CE2 4.05Å; D1032-Y1035 HydrophobicContact CB-CG 4.49Å; D1032-Y1035 PolarHBondContact O-N 2.65Å; D1032-Y1035 VanDerWaalsContact O-N 3.15Å; D1032-T1036 PolarHBondContact O-N 3.42Å; D1032-T1036 PolarHBondContact O-OG1 2.84Å
1033	P	89.9	Confident	92	Very high	106 Å²	106	48.7 Å²	48.7	69%	0.688	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-29.7	174.6	-24.8	35	0	0	0	113.6	N1031 Y1035 T1036	N1031-P1033 WeakPolarHBondContact O-CD 3.4Å; P1033-Y1035 VanDerWaalsContact C-N 3.29Å; P1033-Y1035 PolarHBondContact O-N 3.36Å; P1033-T1036 WeakPolarHBondContact O-CB 3.47Å; P1033-T1036 PolarHBondContact O-N 2.72Å; P1033-T1036 VanDerWaalsContact O-N 3.14Å
1034	H	89.7	Confident	92.4	Very high	124 Å²	124	50.5 Å²	50.5	57%	0.574	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-38	177.9	-177.9	-75.8	0	0	0	112.1	D1032 T1036 F1038	D1032-H1034 PolarHBondContact O-N 2.93Å; D1032-H1034 WeakPolarHBondContact OD1-CB 3.24Å; D1032-H1034 PolarHBondContact OD1-N 3.07Å; H1034-T1036 VanDerWaalsContact C-N 3.33Å; H1034-F1038 WeakPolarHBondContact O-CB 3.31Å
1035	Y	90.3	Very high	92.6	Very high	46 Å²	46	47.1 Å²	47.1	18%	0.18	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-14.3	179.1	-62.3	-50.7	0	0	0	112.9	L1001 V1029 D1032 P1033 G1037 F1038 L1039	L1001-Y1035 HydrophobicContact CD1-CD1 4.43Å; L1001-Y1035 HydrophobicContact CD1-CE1 3.95Å; L1001-Y1035 HydrophobicContact CD1-CE2 4.41Å; V1029-Y1035 HydrophobicContact CB-CE2 4.49Å; V1029-Y1035 HydrophobicContact CG1-CD2 3.95Å; V1029-Y1035 HydrophobicContact CG1-CE2 3.87Å; V1029-Y1035 VanDerWaalsContact O-CD2 3.28Å; V1029-Y1035 WeakPolarHBondContact O-CD2 3.43Å; D1032-Y1035 HydrophobicContact CB-CD2 3.59Å; D1032-Y1035 HydrophobicContact CB-CE2 4.05Å; D1032-Y1035 HydrophobicContact CB-CG 4.49Å; D1032-Y1035 PolarHBondContact O-N 2.65Å; D1032-Y1035 VanDerWaalsContact O-N 3.15Å; P1033-Y1035 VanDerWaalsContact C-N 3.29Å; P1033-Y1035 PolarHBondContact O-N 3.36Å; Y1035-G1037 PolarHBondContact O-N 3.39Å; Y1035-G1037 VanDerWaalsContact O-N 3.09Å; Y1035-F1038 HydrophobicContact CD1-CD1 4.23Å; Y1035-F1038 PolarHBondContact O-N 2.89Å; Y1035-F1038 VanDerWaalsContact O-N 3.15Å; Y1035-L1039 HydrophobicContact CD1-CB 4.49Å; Y1035-L1039 PolarHBondContact O-N 3.39Å
1036	T	83.5	Confident	92.4	Very high	99 Å²	99	46.2 Å²	46.2	61%	0.607	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	106.5	179.9	-59.4	0	0	0	0	110.3	D1032 P1033 H1034	D1032-T1036 PolarHBondContact O-N 3.42Å; D1032-T1036 PolarHBondContact O-OG1 2.84Å; P1033-T1036 WeakPolarHBondContact O-CB 3.47Å; P1033-T1036 PolarHBondContact O-N 2.72Å; P1033-T1036 VanDerWaalsContact O-N 3.14Å; H1034-T1036 VanDerWaalsContact C-N 3.33Å
1037	G	85.3	Confident	92.5	Very high	46 Å²	46	46.3 Å²	46.3	47%	0.474	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.4	7.1	-176.5	0	0	0	0	0	114.6	Y1035	Y1035-G1037 PolarHBondContact O-N 3.39Å; Y1035-G1037 VanDerWaalsContact O-N 3.09Å
1038	F	95.5	Very high	92.5	Very high	29 Å²	29	45.3 Å²	45.3	13%	0.127	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.7	-46.4	175	174	-103.1	0	0	0	112.1	I986 L990 A994 C997 H1034 Y1035	I986-F1038 HydrophobicContact CD1-CD2 4.35Å; I986-F1038 WeakPolarHBondContact CD1-O 3.24Å; L990-F1038 HydrophobicContact CD1-CD2 3.79Å; L990-F1038 HydrophobicContact CD1-CE2 3.8Å; L990-F1038 HydrophobicContact CG-CD2 4.17Å; L990-F1038 HydrophobicContact CG-CE2 4.28Å; L990-F1038 WeakPolarHBondContact O-CE2 3.39Å; A994-F1038 VanDerWaalsContact CA-CZ 3.46Å; A994-F1038 HydrophobicContact CB-CD2 4.14Å; A994-F1038 HydrophobicContact CB-CE1 4.28Å; A994-F1038 HydrophobicContact CB-CE2 3.8Å; A994-F1038 HydrophobicContact CB-CZ 3.89Å; A994-F1038 VanDerWaalsContact CB-O 3.25Å; A994-F1038 WeakPolarHBondContact CB-O 3.45Å; C997-F1038 HydrophobicContact CB-CE1 4.05Å; H1034-F1038 WeakPolarHBondContact O-CB 3.31Å; Y1035-F1038 HydrophobicContact CD1-CD1 4.23Å; Y1035-F1038 PolarHBondContact O-N 2.89Å; Y1035-F1038 VanDerWaalsContact O-N 3.15Å
1039	L	95.5	Very high	92.1	Very high	5 Å²	5	44.7 Å²	44.7	3%	0.026	25%	0.249	C	C	.	.	S	Bend	trans	-68.1	130.1	-177.2	-172.1	69.4	0	0	0	110.8	A998 L1001 Y1035 A1043 R1044 L1047	A998-L1039 HydrophobicContact CB-CD1 4.25Å; L1001-L1039 HydrophobicContact CD1-CD1 3.83Å; Y1035-L1039 HydrophobicContact CD1-CB 4.49Å; Y1035-L1039 PolarHBondContact O-N 3.39Å; L1039-A1043 HydrophobicContact CD1-CB 4.16Å; L1039-A1043 HydrophobicContact CG-CB 4.22Å; L1039-R1044 HydrophobicContact CD2-CB 4.03Å; L1039-L1047 HydrophobicContact CD2-CD1 4.17Å
1040	P	97.4	Very high	91.8	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.25	C	S	.	.			trans	-56.4	141.8	175.4	-23.7	34.5	0	0	0	111.7	A969 I970 A994 A998 Y1042 A1043 R1044	A969-P1040 HydrophobicContact CB-CG 4.19Å; I970-P1040 CarbonylContact O-C 3.59Å; A994-P1040 HydrophobicContact CB-CG 4.15Å; A998-P1040 HydrophobicContact CB-CG 3.98Å; P1040-Y1042 VanDerWaalsContact C-N 3.31Å; P1040-Y1042 HydrophobicContact CB-CD1 3.7Å; P1040-Y1042 HydrophobicContact CB-CE1 3.5Å; P1040-Y1042 HydrophobicContact CG-CE1 4.18Å; P1040-Y1042 PolarHBondContact O-N 3.23Å; P1040-A1043 HydrophobicContact CB-CB 4.44Å; P1040-A1043 WeakPolarHBondContact O-CB 3.16Å; P1040-A1043 PolarHBondContact O-N 2.69Å; P1040-R1044 PolarHBondContact O-N 3.14Å
1041	L	96.2	Very high	91.7	Very high	5 Å²	5	45.3 Å²	45.3	3%	0.026	25%	0.252	C	S	.	.	H	α-helix	trans	-63.7	-37.7	-172.1	-178.2	59.8	0	0	0	111.6	L876 T880 I970 V973 A1043 R1044 L1045	L876-L1041 HydrophobicContact CD2-CD2 3.97Å; L876-L1041 HydrophobicContact CG-CD2 4.24Å; T880-L1041 HydrophobicContact CG2-CD2 4.25Å; I970-L1041 VanDerWaalsContact O-CB 3.31Å; I970-L1041 WeakPolarHBondContact O-CB 3.27Å; I970-L1041 PolarHBondContact O-N 3.11Å; V973-L1041 HydrophobicContact CB-CD2 3.96Å; V973-L1041 HydrophobicContact CG2-CD2 3.64Å; L1041-A1043 PolarHBondContact O-N 2.88Å; L1041-R1044 PolarHBondContact O-N 3.17Å; L1041-L1045 HydrophobicContact CD1-CD1 4.27Å; L1041-L1045 HydrophobicContact CD1-CG 4.12Å; L1041-L1045 HydrophobicContact CG-CD1 3.97Å; L1041-L1045 HydrophobicContact CG-CG 4.3Å; L1041-L1045 WeakPolarHBondContact O-CB 3.32Å; L1041-L1045 VanDerWaalsContact O-CG 3.26Å; L1041-L1045 WeakPolarHBondContact O-CG 3.45Å; L1041-L1045 PolarHBondContact O-N 3Å
1042	Y	95.4	Very high	91.2	Very high	17 Å²	17	45 Å²	45	7%	0.067	24%	0.243	C	C	.	.	H	α-helix	trans	-60.8	-37.8	176.4	80.6	-93.9	0	0	0	111.7	G877 R881 E884 I1002 P1040 A1046	G877-Y1042 VanDerWaalsContact O-CB 3.25Å; G877-Y1042 WeakPolarHBondContact O-CB 3.39Å; R881-Y1042 HydrophobicContact CB-CD1 4.26Å; R881-Y1042 HydrophobicContact CB-CD2 4.4Å; R881-Y1042 HydrophobicContact CB-CG 3.95Å; R881-Y1042 HydrophobicContact CG-CD1 4.36Å; R881-Y1042 HydrophobicContact CG-CD2 4.25Å; R881-Y1042 HydrophobicContact CG-CG 4.18Å; E884-Y1042 WeakPolarHBondContact OE2-CD1 3.4Å; E884-Y1042 WeakPolarHBondContact OE2-CE1 3.44Å; I1002-Y1042 HydrophobicContact CD1-CD2 4.17Å; I1002-Y1042 HydrophobicContact CD1-CE2 3.58Å; P1040-Y1042 VanDerWaalsContact C-N 3.31Å; P1040-Y1042 HydrophobicContact CB-CD1 3.7Å; P1040-Y1042 HydrophobicContact CB-CE1 3.5Å; P1040-Y1042 HydrophobicContact CG-CE1 4.18Å; P1040-Y1042 PolarHBondContact O-N 3.23Å; Y1042-A1046 WeakPolarHBondContact O-CB 3.48Å; Y1042-A1046 PolarHBondContact O-N 3.33Å
1043	A	96.3	Very high	90.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-71.9	-44.5	-179.6	0	0	0	0	0	110.9	A998 I1002 L1039 P1040 L1041 L1045 A1046 L1047	A998-A1043 HydrophobicContact CB-CB 3.56Å; I1002-A1043 HydrophobicContact CD1-CB 3.74Å; I1002-A1043 HydrophobicContact CG1-CB 4.13Å; L1039-A1043 HydrophobicContact CD1-CB 4.16Å; L1039-A1043 HydrophobicContact CG-CB 4.22Å; P1040-A1043 HydrophobicContact CB-CB 4.44Å; P1040-A1043 WeakPolarHBondContact O-CB 3.16Å; P1040-A1043 PolarHBondContact O-N 2.69Å; L1041-A1043 PolarHBondContact O-N 2.88Å; A1043-L1045 PolarHBondContact O-N 3.24Å; A1043-A1046 PolarHBondContact O-N 2.91Å; A1043-L1047 WeakPolarHBondContact O-CG 3.45Å; A1043-L1047 PolarHBondContact O-N 3.44Å
1044	R	95.3	Very high	90.1	Very high	64 Å²	64	40.3 Å²	40.3	24%	0.242	21%	0.21	C	C	.	.	H	α-helix	trans	-57.1	-48.5	173.6	-172.2	178.5	178	96.7	6.6	111.5	L1030 L1039 P1040 L1041 A1046 L1047 E1048	L1030-R1044 HydrophobicContact CD2-CG 3.8Å; L1030-R1044 PolarHBondContact O-NH1 2.95Å; L1030-R1044 PolarHBondContact O-NH2 3.14Å; L1039-R1044 HydrophobicContact CD2-CB 4.03Å; P1040-R1044 PolarHBondContact O-N 3.14Å; L1041-R1044 PolarHBondContact O-N 3.17Å; R1044-A1046 VanDerWaalsContact C-N 3.34Å; R1044-A1046 PolarHBondContact O-N 3.49Å; R1044-L1047 PolarHBondContact O-N 2.77Å; R1044-E1048 IonicContact CZ-OE1 3.16Å; R1044-E1048 IonicContact NE-OE1 2.71Å; R1044-E1048 PolarHBondContact NE-OE1 3.21Å; R1044-E1048 IonicContact NH2-OE1 2.77Å; R1044-E1048 WeakPolarHBondContact O-CG 3.25Å; R1044-E1048 PolarHBondContact O-N 2.71Å
1045	L	92.4	Very high	89.4	Confident	28 Å²	28	38 Å²	38	15%	0.147	20%	0.201	C	C	.	.	H	α-helix	trans	-63	-38.5	178.3	-70.1	172	0	0	0	112	L876 L1041 A1043 E1048 T1049	L876-L1045 HydrophobicContact CB-CD1 3.96Å; L876-L1045 HydrophobicContact CD2-CD1 4.15Å; L876-L1045 HydrophobicContact CG-CD1 3.98Å; L1041-L1045 HydrophobicContact CD1-CD1 4.27Å; L1041-L1045 HydrophobicContact CD1-CG 4.12Å; L1041-L1045 HydrophobicContact CG-CD1 3.97Å; L1041-L1045 HydrophobicContact CG-CG 4.3Å; L1041-L1045 WeakPolarHBondContact O-CB 3.32Å; L1041-L1045 VanDerWaalsContact O-CG 3.26Å; L1041-L1045 WeakPolarHBondContact O-CG 3.45Å; L1041-L1045 PolarHBondContact O-N 3Å; A1043-L1045 PolarHBondContact O-N 3.24Å; L1045-E1048 PolarHBondContact O-N 3.47Å; L1045-T1049 WeakPolarHBondContact O-CB 3.14Å; L1045-T1049 PolarHBondContact O-N 3.09Å; L1045-T1049 PolarHBondContact O-OG1 3.06Å
1046	A	91.7	Very high	88.3	Confident	29 Å²	29	40.3 Å²	40.3	24%	0.24	21%	0.214	C	C	.	.	H	α-helix	trans	-62.6	-42.4	175.3	0	0	0	0	0	112	I1002 Y1042 A1043 R1044 T1049 N1050	I1002-A1046 HydrophobicContact CG1-CB 4.45Å; Y1042-A1046 WeakPolarHBondContact O-CB 3.48Å; Y1042-A1046 PolarHBondContact O-N 3.33Å; A1043-A1046 PolarHBondContact O-N 2.91Å; R1044-A1046 VanDerWaalsContact C-N 3.34Å; R1044-A1046 PolarHBondContact O-N 3.49Å; A1046-T1049 PolarHBondContact O-N 3.45Å; A1046-N1050 PolarHBondContact O-N 3.3Å; A1046-N1050 PolarHBondContact O-ND2 3.23Å; A1046-N1050 PolarHBondContact O-OD1 3.01Å
1047	L	94.2	Very high	87.1	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-66.7	-41.7	176.1	-66.2	174.5	0	0	0	112.2	L1001 W1025 Y1026 V1029 L1030 L1039 A1043 R1044 T1049 N1050 L1051	L1001-L1047 HydrophobicContact CB-CD1 4.28Å; W1025-L1047 HydrophobicContact CH2-CD2 4.42Å; W1025-L1047 HydrophobicContact CZ3-CD2 4.34Å; Y1026-L1047 HydrophobicContact CD1-CB 4.22Å; Y1026-L1047 HydrophobicContact CD1-CD2 4.21Å; Y1026-L1047 WeakPolarHBondContact CD1-O 3.25Å; Y1026-L1047 HydrophobicContact CE1-CB 4.33Å; Y1026-L1047 HydrophobicContact CE1-CD2 3.79Å; V1029-L1047 HydrophobicContact CG1-CD1 4.02Å; L1030-L1047 HydrophobicContact CD2-CB 4.1Å; L1039-L1047 HydrophobicContact CD2-CD1 4.17Å; A1043-L1047 WeakPolarHBondContact O-CG 3.45Å; A1043-L1047 PolarHBondContact O-N 3.44Å; R1044-L1047 PolarHBondContact O-N 2.77Å; L1047-T1049 VanDerWaalsContact C-N 3.34Å; L1047-T1049 PolarHBondContact O-N 3.07Å; L1047-N1050 PolarHBondContact O-N 2.78Å; L1047-L1051 WeakPolarHBondContact O-CB 3.28Å; L1047-L1051 PolarHBondContact O-N 3.44Å
1048	E	91.3	Very high	85.4	Confident	69 Å²	69	44.4 Å²	44.4	32%	0.322	22%	0.218	S	C	.	.	H	α-helix	trans	-60.4	-42.1	174.3	-74.3	172.2	-178	0	0	111.5	L1030 R1044 L1045 L1051 Y1052	L1030-E1048 HydrophobicContact CD1-CG 3.74Å; L1030-E1048 HydrophobicContact CD2-CG 3.8Å; L1030-E1048 HydrophobicContact CG-CG 4.43Å; R1044-E1048 IonicContact CZ-OE1 3.16Å; R1044-E1048 IonicContact NE-OE1 2.71Å; R1044-E1048 PolarHBondContact NE-OE1 3.21Å; R1044-E1048 IonicContact NH2-OE1 2.77Å; R1044-E1048 WeakPolarHBondContact O-CG 3.25Å; R1044-E1048 PolarHBondContact O-N 2.71Å; L1045-E1048 PolarHBondContact O-N 3.47Å; E1048-L1051 PolarHBondContact O-N 3.44Å; E1048-Y1052 WeakPolarHBondContact O-CB 3.45Å; E1048-Y1052 PolarHBondContact O-N 2.95Å
1049	T	86.2	Confident	83.3	Confident	68 Å²	68	45 Å²	45	42%	0.417	22%	0.223	S	C	.	.	H	α-helix	trans	-63.1	-46.2	175.3	-64.4	0	0	0	0	112	L1045 A1046 L1047 L1051 Y1052 H1053	L1045-T1049 WeakPolarHBondContact O-CB 3.14Å; L1045-T1049 PolarHBondContact O-N 3.09Å; L1045-T1049 PolarHBondContact O-OG1 3.06Å; A1046-T1049 PolarHBondContact O-N 3.45Å; L1047-T1049 VanDerWaalsContact C-N 3.34Å; L1047-T1049 PolarHBondContact O-N 3.07Å; T1049-L1051 VanDerWaalsContact C-N 3.33Å; T1049-L1051 PolarHBondContact O-N 2.93Å; T1049-Y1052 WeakPolarHBondContact O-CB 3.35Å; T1049-Y1052 PolarHBondContact O-N 2.91Å; T1049-H1053 PolarHBondContact O-N 2.69Å
1050	N	87.1	Confident	81.4	Confident	16 Å²	16	45.9 Å²	45.9	9%	0.086	23%	0.228	C	C	.	.	H	α-helix	trans	-62.4	-41.6	177.3	-61.3	-15	0	0	0	111.3	Y1026 A1046 L1047 Y1052 H1053 I1054	Y1026-N1050 HydrophobicContact CE1-CB 3.71Å; Y1026-N1050 VanDerWaalsContact OH-CB 3.25Å; Y1026-N1050 WeakPolarHBondContact OH-CB 3.32Å; A1046-N1050 PolarHBondContact O-N 3.3Å; A1046-N1050 PolarHBondContact O-ND2 3.23Å; A1046-N1050 PolarHBondContact O-OD1 3.01Å; L1047-N1050 PolarHBondContact O-N 2.78Å; N1050-Y1052 VanDerWaalsContact C-N 3.34Å; N1050-Y1052 PolarHBondContact O-N 3.46Å; N1050-H1053 PolarHBondContact O-N 2.91Å; N1050-I1054 WeakPolarHBondContact O-CG1 3.28Å; N1050-I1054 PolarHBondContact O-N 3.22Å; N1050-I1054 VanDerWaalsContact O-N 3.09Å
1051	L	88.4	Confident	79.7	Confident	20 Å²	20	47.5 Å²	47.5	11%	0.105	24%	0.236	C	C	.	.	H	α-helix	trans	-60.6	-43.6	174.7	175.1	57.2	0	0	0	111.4	I1023 Y1026 E1027 L1030 L1047 E1048 T1049 H1053 I1054 N1055	I1023-L1051 HydrophobicContact CB-CD1 4.3Å; I1023-L1051 HydrophobicContact CG1-CD1 4.19Å; I1023-L1051 HydrophobicContact CG2-CD1 3.96Å; Y1026-L1051 HydrophobicContact CD1-CB 4.28Å; Y1026-L1051 HydrophobicContact CD2-CD1 4.5Å; Y1026-L1051 HydrophobicContact CG-CB 4.06Å; Y1026-L1051 HydrophobicContact CG-CD1 4.4Å; E1027-L1051 HydrophobicContact CG-CD2 4.18Å; L1030-L1051 HydrophobicContact CD1-CD2 3.9Å; L1047-L1051 WeakPolarHBondContact O-CB 3.28Å; L1047-L1051 PolarHBondContact O-N 3.44Å; E1048-L1051 PolarHBondContact O-N 3.44Å; T1049-L1051 VanDerWaalsContact C-N 3.33Å; T1049-L1051 PolarHBondContact O-N 2.93Å; L1051-H1053 PolarHBondContact O-N 2.93Å; L1051-I1054 PolarHBondContact O-N 2.84Å; L1051-N1055 WeakPolarHBondContact CD1-ND2 3.43Å; L1051-N1055 WeakPolarHBondContact O-CB 3.32Å; L1051-N1055 PolarHBondContact O-N 3.32Å; L1051-N1055 PolarHBondContact O-ND2 3.22Å
1052	Y	83	Confident	78.6	Confident	116 Å²	116	50 Å²	50	46%	0.455	25%	0.249	S	C	.	.	H	α-helix	trans	-57.7	-47	174.8	176.6	-88.2	0	0	0	111.3	E1048 T1049 N1050 I1054 N1055 H1056	E1048-Y1052 WeakPolarHBondContact O-CB 3.45Å; E1048-Y1052 PolarHBondContact O-N 2.95Å; T1049-Y1052 WeakPolarHBondContact O-CB 3.35Å; T1049-Y1052 PolarHBondContact O-N 2.91Å; N1050-Y1052 VanDerWaalsContact C-N 3.34Å; N1050-Y1052 PolarHBondContact O-N 3.46Å; Y1052-I1054 PolarHBondContact O-N 3.3Å; Y1052-N1055 PolarHBondContact O-N 3.38Å; Y1052-H1056 AromaticContact CD2-CD2 3.28Å; Y1052-H1056 WeakPolarHBondContact CD2-CD2 3.41Å; Y1052-H1056 AromaticContact CD2-NE2 3.54Å; Y1052-H1056 AromaticContact CE1-CD2 3.94Å; Y1052-H1056 AromaticContact CE2-CD2 3.1Å; Y1052-H1056 WeakPolarHBondContact CE2-CD2 3.32Å; Y1052-H1056 AromaticContact CE2-CG 3.99Å; Y1052-H1056 AromaticContact CE2-NE2 3.18Å; Y1052-H1056 WeakPolarHBondContact CE2-NE2 3.25Å; Y1052-H1056 AromaticContact CG-CD2 3.78Å; Y1052-H1056 AromaticContact CZ-CD2 3.44Å; Y1052-H1056 VanDerWaalsContact CZ-CD2 3.44Å; Y1052-H1056 AromaticContact CZ-CG 3.9Å; Y1052-H1056 AromaticContact CZ-NE2 3.86Å; Y1052-H1056 WeakPolarHBondContact O-CB 3.27Å; Y1052-H1056 PolarHBondContact O-CD2 3.25Å; Y1052-H1056 VanDerWaalsContact O-CD2 3.28Å; Y1052-H1056 PolarHBondContact O-N 3.16Å
1053	H	78.2	Confident	77.7	Confident	62 Å²	62	54.4 Å²	54.4	29%	0.287	27%	0.274	S	S	.	.	H	α-helix	trans	-58.9	-45.3	178.2	-63.9	161	0	0	0	112.7	E1009 T1049 N1050 L1051 H1056 K1057	E1009-H1053 WeakPolarHBondContact OE1-CB 3.44Å; E1009-H1053 IonicContact OE1-CG 2.74Å; E1009-H1053 IonicContact OE1-ND1 2.67Å; E1009-H1053 PolarHBondContact OE1-ND1 3.03Å; T1049-H1053 PolarHBondContact O-N 2.69Å; N1050-H1053 PolarHBondContact O-N 2.91Å; L1051-H1053 PolarHBondContact O-N 2.93Å; H1053-H1056 PolarHBondContact O-N 3.01Å; H1053-K1057 PolarHBondContact O-N 3.46Å
1054	I	78.5	Confident	76.8	Confident	3 Å²	3	60.6 Å²	60.6	2%	0.015	31%	0.307	C	S	.	.	H	α-helix	trans	-65.5	-42.5	179.5	-61.1	168.1	0	0	0	110.8	E1009 A1012 A1019 I1023 Y1026 N1050 L1051 Y1052	E1009-I1054 HydrophobicContact CB-CD1 4.08Å; E1009-I1054 HydrophobicContact CB-CG1 4.35Å; E1009-I1054 HydrophobicContact CG-CD1 4.29Å; E1009-I1054 HydrophobicContact CG-CG1 4.01Å; A1012-I1054 HydrophobicContact CB-CD1 4.1Å; A1012-I1054 HydrophobicContact CB-CG1 4.15Å; A1012-I1054 HydrophobicContact CB-CG2 3.87Å; A1019-I1054 HydrophobicContact CB-CG2 4.17Å; I1023-I1054 HydrophobicContact CD1-CG2 3.91Å; I1023-I1054 HydrophobicContact CG1-CB 4.4Å; I1023-I1054 HydrophobicContact CG1-CG2 3.62Å; Y1026-I1054 HydrophobicContact CD2-CD1 3.97Å; Y1026-I1054 HydrophobicContact CE2-CD1 3.34Å; N1050-I1054 WeakPolarHBondContact O-CG1 3.28Å; N1050-I1054 PolarHBondContact O-N 3.22Å; N1050-I1054 VanDerWaalsContact O-N 3.09Å; L1051-I1054 PolarHBondContact O-N 2.84Å; Y1052-I1054 PolarHBondContact O-N 3.3Å
1055	N	76	Confident	76	Confident	75 Å²	75	59.1 Å²	59.1	40%	0.401	30%	0.303	S	S	.	.	H	α-helix	trans	-65.5	-38.3	-180	-86	-29.6	0	0	0	112.6	I1023 L1051 Y1052	I1023-N1055 VanDerWaalsContact CD1-OD1 3.23Å; I1023-N1055 WeakPolarHBondContact CD1-OD1 3.43Å; L1051-N1055 WeakPolarHBondContact CD1-ND2 3.43Å; L1051-N1055 WeakPolarHBondContact O-CB 3.32Å; L1051-N1055 PolarHBondContact O-N 3.32Å; L1051-N1055 PolarHBondContact O-ND2 3.22Å; Y1052-N1055 PolarHBondContact O-N 3.38Å
1056	H	67.3	Low	75.6	Confident	94 Å²	94	57.9 Å²	57.9	44%	0.435	30%	0.297	S	S	.	.	H	α-helix	trans	-85.7	-11.9	-173.3	-78.1	-76.5	0	0	0	115	Y1052 H1053 T1058	Y1052-H1056 AromaticContact CD2-CD2 3.28Å; Y1052-H1056 WeakPolarHBondContact CD2-CD2 3.41Å; Y1052-H1056 AromaticContact CD2-NE2 3.54Å; Y1052-H1056 AromaticContact CE1-CD2 3.94Å; Y1052-H1056 AromaticContact CE2-CD2 3.1Å; Y1052-H1056 WeakPolarHBondContact CE2-CD2 3.32Å; Y1052-H1056 AromaticContact CE2-CG 3.99Å; Y1052-H1056 AromaticContact CE2-NE2 3.18Å; Y1052-H1056 WeakPolarHBondContact CE2-NE2 3.25Å; Y1052-H1056 AromaticContact CG-CD2 3.78Å; Y1052-H1056 AromaticContact CZ-CD2 3.44Å; Y1052-H1056 VanDerWaalsContact CZ-CD2 3.44Å; Y1052-H1056 AromaticContact CZ-CG 3.9Å; Y1052-H1056 AromaticContact CZ-NE2 3.86Å; Y1052-H1056 WeakPolarHBondContact O-CB 3.27Å; Y1052-H1056 PolarHBondContact O-CD2 3.25Å; Y1052-H1056 VanDerWaalsContact O-CD2 3.28Å; Y1052-H1056 PolarHBondContact O-N 3.16Å; H1053-H1056 PolarHBondContact O-N 3.01Å; H1056-T1058 PolarHBondContact O-N 2.96Å; H1056-T1058 PolarHBondContact O-OG1 3.37Å; H1056-T1058 VanDerWaalsContact O-OG1 3.07Å
1057	K	58	Low	75.4	Confident	132 Å²	132	60.4 Å²	60.4	57%	0.574	30%	0.303	S	S	*	.			trans	50.4	-12.6	172.4	-69.2	-172.5	180	178	0	118.4	H1053	H1053-K1057 PolarHBondContact O-N 3.46Å
1058	T	50.2	Low	75.1	Confident	99 Å²	99	63.8 Å²	63.8	61%	0.607	32%	0.321	S	S	*	.	S	Bend	trans	-104.3	-7.4	-173.4	49.7	0	0	0	0	114.3	H1056 N1098	H1056-T1058 PolarHBondContact O-N 2.96Å; H1056-T1058 PolarHBondContact O-OG1 3.37Å; H1056-T1058 VanDerWaalsContact O-OG1 3.07Å; T1058-N1098 PolarHBondContact O-ND2 3.05Å
1059	D	50	Low	75	Confident	41 Å²	41	60.5 Å²	60.5	22%	0.219	31%	0.306	C	S	.	.	S	Bend	trans	-110.7	-1.2	-176.7	-70.5	-25.6	0	0	0	113.9	I1061	D1059-I1061 PolarHBondContact O-N 2.91Å; D1059-I1061 VanDerWaalsContact O-N 3.12Å
1060	I	56.5	Low	75	Confident	25 Å²	25	57.7 Å²	57.7	13%	0.128	29%	0.288	C	S	.	.			trans	-79	104.7	177.5	-64	142.3	0	0	0	109.1	I1013 D1062 R1096	I1013-I1060 HydrophobicContact CB-CG2 4.02Å; I1013-I1060 HydrophobicContact CD1-CB 4.25Å; I1013-I1060 HydrophobicContact CD1-CD1 4.3Å; I1013-I1060 HydrophobicContact CD1-CG1 3.89Å; I1013-I1060 HydrophobicContact CD1-CG2 3.34Å; I1013-I1060 HydrophobicContact CG1-CB 4.16Å; I1013-I1060 HydrophobicContact CG1-CD1 3.59Å; I1013-I1060 HydrophobicContact CG1-CG1 3.72Å; I1013-I1060 HydrophobicContact CG1-CG2 3.48Å; I1013-I1060 VanDerWaalsContact CG1-CG2 3.48Å; I1013-I1060 HydrophobicContact CG2-CG2 3.42Å; I1013-I1060 VanDerWaalsContact CG2-CG2 3.42Å; I1060-D1062 PolarHBondContact O-N 2.89Å; I1060-R1096 PolarHBondContact O-NH2 2.86Å
1061	I	61.6	Low	75.1	Confident	34 Å²	34	60.2 Å²	60.2	17%	0.174	30%	0.301	C	S	.	.			trans	-71.6	120.1	176.5	-63.7	-136.1	0	0	0	110.4	D1059 N1063 V1066 N1098 E1099 L1102 H1165	D1059-I1061 PolarHBondContact O-N 2.91Å; D1059-I1061 VanDerWaalsContact O-N 3.12Å; I1061-N1063 PolarHBondContact O-N 2.93Å; I1061-V1066 HydrophobicContact CG2-CG2 3.67Å; I1061-N1098 HydrophobicContact CD1-CB 4.34Å; I1061-E1099 HydrophobicContact CG2-CG 4.39Å; I1061-L1102 HydrophobicContact CB-CD1 4.41Å; I1061-L1102 HydrophobicContact CD1-CD1 3.16Å; I1061-L1102 HydrophobicContact CD1-CG 3.55Å; I1061-L1102 HydrophobicContact CG1-CD1 4.26Å; I1061-L1102 HydrophobicContact CG2-CD1 3.6Å; I1061-H1165 VanDerWaalsContact CD1-CE1 3.44Å; I1061-H1165 WeakPolarHBondContact CD1-CE1 3.48Å; I1061-H1165 VanDerWaalsContact CD1-NE2 3.27Å; I1061-H1165 WeakPolarHBondContact CD1-NE2 3.38Å
1062	D	72.1	Confident	75.1	Confident	58 Å²	58	62.9 Å²	62.9	31%	0.31	31%	0.312	S	S	.	.			trans	-86	100.9	170.1	179.2	-10.7	0	0	0	108.8	I1060 D1064 Q1065 V1066 R1096	I1060-D1062 PolarHBondContact O-N 2.89Å; D1062-D1064 PolarHBondContact O-N 2.85Å; D1062-D1064 WeakPolarHBondContact OD1-CB 3.36Å; D1062-D1064 PolarHBondContact OD1-N 3.27Å; D1062-D1064 VanDerWaalsContact OD1-N 3.13Å; D1062-Q1065 HydrophobicContact CB-CB 3.84Å; D1062-Q1065 CarbonylContact O-C 3.59Å; D1062-Q1065 WeakPolarHBondContact O-CA 3.27Å; D1062-Q1065 WeakPolarHBondContact O-CB 3.37Å; D1062-Q1065 PolarHBondContact O-N 3.19Å; D1062-Q1065 VanDerWaalsContact O-N 3.09Å; D1062-Q1065 PolarHBondContact OD1-N 3.37Å; D1062-Q1065 VanDerWaalsContact OD1-N 3.15Å; D1062-V1066 WeakPolarHBondContact O-CG2 3.38Å; D1062-V1066 PolarHBondContact O-N 3.49Å; D1062-R1096 IonicContact OD2-NH1 3.45Å
1063	N	76.9	Confident	75.2	Confident	108 Å²	108	57.3 Å²	57.3	58%	0.578	29%	0.29	S	S	*	.	H	α-helix	trans	-63.5	-29.6	-177.2	-73.1	-35.2	0	0	0	112.8	I1061 Q1065 V1066 Q1067	I1061-N1063 PolarHBondContact O-N 2.93Å; N1063-Q1065 VanDerWaalsContact C-N 3.3Å; N1063-V1066 PolarHBondContact O-N 2.99Å; N1063-Q1067 WeakPolarHBondContact O-CB 3.12Å; N1063-Q1067 PolarHBondContact O-N 3.14Å
1064	D	77	Confident	75.5	Confident	131 Å²	131	59.1 Å²	59.1	70%	0.701	30%	0.297	S	S	*	.	H	α-helix	trans	-68	-38.8	175.5	-65.8	-23.6	0	0	0	109.5	D1062 Q1067 L1068	D1062-D1064 PolarHBondContact O-N 2.85Å; D1062-D1064 WeakPolarHBondContact OD1-CB 3.36Å; D1062-D1064 PolarHBondContact OD1-N 3.27Å; D1062-D1064 VanDerWaalsContact OD1-N 3.13Å; D1064-Q1067 PolarHBondContact O-N 3.33Å; D1064-L1068 WeakPolarHBondContact O-CB 3.4Å; D1064-L1068 PolarHBondContact O-N 3.48Å
1065	Q	79.8	Confident	75.8	Confident	32 Å²	32	63.3 Å²	63.3	15%	0.15	32%	0.319	C	S	.	.	H	α-helix	trans	-68.5	-36.6	173.3	-166.8	65.5	16.8	0	0	112.7	D1062 N1063 L1068 Y1069	D1062-Q1065 HydrophobicContact CB-CB 3.84Å; D1062-Q1065 CarbonylContact O-C 3.59Å; D1062-Q1065 WeakPolarHBondContact O-CA 3.27Å; D1062-Q1065 WeakPolarHBondContact O-CB 3.37Å; D1062-Q1065 PolarHBondContact O-N 3.19Å; D1062-Q1065 VanDerWaalsContact O-N 3.09Å; D1062-Q1065 PolarHBondContact OD1-N 3.37Å; D1062-Q1065 VanDerWaalsContact OD1-N 3.15Å; N1063-Q1065 VanDerWaalsContact C-N 3.3Å; Q1065-L1068 PolarHBondContact O-N 2.87Å; Q1065-Y1069 HydrophobicContact CG-CD2 4.23Å; Q1065-Y1069 HydrophobicContact CG-CE2 3.78Å; Q1065-Y1069 PolarHBondContact NE2-OH 3.45Å; Q1065-Y1069 VanDerWaalsContact O-CD2 3.23Å; Q1065-Y1069 WeakPolarHBondContact O-CD2 3.35Å; Q1065-Y1069 PolarHBondContact O-N 3.28Å
1066	V	83.3	Confident	76.2	Confident	3 Å²	3	61 Å²	61	2%	0.018	31%	0.306	C	S	.	.	H	α-helix	trans	-59.8	-49.3	171.4	175.2	0	0	0	0	109.8	I1061 D1062 N1063 L1068 Y1069 I1070 E1099 L1102 A1103	I1061-V1066 HydrophobicContact CG2-CG2 3.67Å; D1062-V1066 WeakPolarHBondContact O-CG2 3.38Å; D1062-V1066 PolarHBondContact O-N 3.49Å; N1063-V1066 PolarHBondContact O-N 2.99Å; V1066-L1068 VanDerWaalsContact C-N 3.32Å; V1066-L1068 PolarHBondContact O-N 2.83Å; V1066-Y1069 WeakPolarHBondContact O-CB 3.27Å; V1066-Y1069 PolarHBondContact O-N 2.98Å; V1066-Y1069 VanDerWaalsContact O-N 3.11Å; V1066-I1070 HydrophobicContact CG1-CD1 4.01Å; V1066-I1070 HydrophobicContact CG1-CG1 4.48Å; V1066-I1070 WeakPolarHBondContact O-CG1 3.4Å; V1066-I1070 PolarHBondContact O-N 3.48Å; V1066-E1099 HydrophobicContact CG2-CB 3.77Å; V1066-E1099 HydrophobicContact CG2-CG 4.05Å; V1066-L1102 HydrophobicContact CG1-CB 4.23Å; V1066-L1102 HydrophobicContact CG2-CB 4.22Å; V1066-L1102 HydrophobicContact CG2-CD1 4.32Å; V1066-A1103 HydrophobicContact CG1-CB 4.19Å
1067	Q	87.1	Confident	76.7	Confident	82 Å²	82	58.4 Å²	58.4	38%	0.383	30%	0.296	S	S	.	.	H	α-helix	trans	-62.9	-39.9	179.1	-169.8	58.9	49.1	0	0	111.6	N1063 D1064 Y1069 I1070 D1071	N1063-Q1067 WeakPolarHBondContact O-CB 3.12Å; N1063-Q1067 PolarHBondContact O-N 3.14Å; D1064-Q1067 PolarHBondContact O-N 3.33Å; Q1067-Y1069 VanDerWaalsContact C-N 3.31Å; Q1067-Y1069 PolarHBondContact O-N 2.83Å; Q1067-I1070 WeakPolarHBondContact O-CB 3.33Å; Q1067-I1070 PolarHBondContact O-N 2.66Å; Q1067-I1070 VanDerWaalsContact O-N 3.13Å; Q1067-D1071 PolarHBondContact NE2-OD1 2.96Å; Q1067-D1071 VanDerWaalsContact O-CG 3.25Å; Q1067-D1071 PolarHBondContact O-N 3.44Å
1068	L	88.5	Confident	77.7	Confident	72 Å²	72	58.8 Å²	58.8	38%	0.377	30%	0.3	S	S	.	.	H	α-helix	trans	-60	-40.6	173.6	-176.9	67.3	0	0	0	112	D1064 Q1065 V1066 K1072	D1064-L1068 WeakPolarHBondContact O-CB 3.4Å; D1064-L1068 PolarHBondContact O-N 3.48Å; Q1065-L1068 PolarHBondContact O-N 2.87Å; V1066-L1068 VanDerWaalsContact C-N 3.32Å; V1066-L1068 PolarHBondContact O-N 2.83Å; L1068-K1072 HydrophobicContact CG-CD 4.44Å; L1068-K1072 WeakPolarHBondContact O-CB 3.41Å; L1068-K1072 VanDerWaalsContact O-CG 3.27Å; L1068-K1072 WeakPolarHBondContact O-CG 3.23Å; L1068-K1072 PolarHBondContact O-N 3.2Å
1069	Y	89.7	Confident	79	Confident	0 Å²	0	60 Å²	60	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-66.3	-41.8	173.2	-74.7	-48.8	0	0	0	111.8	Q1065 V1066 Q1067 D1071 K1072 I1073 L1092 F1094 H1095 E1099 L1100	Q1065-Y1069 HydrophobicContact CG-CD2 4.23Å; Q1065-Y1069 HydrophobicContact CG-CE2 3.78Å; Q1065-Y1069 PolarHBondContact NE2-OH 3.45Å; Q1065-Y1069 VanDerWaalsContact O-CD2 3.23Å; Q1065-Y1069 WeakPolarHBondContact O-CD2 3.35Å; Q1065-Y1069 PolarHBondContact O-N 3.28Å; V1066-Y1069 WeakPolarHBondContact O-CB 3.27Å; V1066-Y1069 PolarHBondContact O-N 2.98Å; V1066-Y1069 VanDerWaalsContact O-N 3.11Å; Q1067-Y1069 VanDerWaalsContact C-N 3.31Å; Q1067-Y1069 PolarHBondContact O-N 2.83Å; Y1069-D1071 PolarHBondContact O-N 2.76Å; Y1069-K1072 PolarHBondContact O-N 3.21Å; Y1069-I1073 WeakPolarHBondContact O-CB 3.44Å; Y1069-I1073 WeakPolarHBondContact O-CD1 3.44Å; Y1069-I1073 WeakPolarHBondContact O-CG1 2.94Å; Y1069-I1073 PolarHBondContact O-N 3.49Å; Y1069-L1092 HydrophobicContact CD1-CD1 4.38Å; Y1069-L1092 HydrophobicContact CD1-CD2 4.1Å; Y1069-L1092 HydrophobicContact CD1-CG 4.48Å; Y1069-F1094 HydrophobicContact CE1-CB 3.94Å; Y1069-F1094 WeakPolarHBondContact OH-CA 3.4Å; Y1069-H1095 PolarHBondContact OH-N 3.38Å; Y1069-E1099 HydrophobicContact CD2-CB 4.18Å; Y1069-E1099 HydrophobicContact CE2-CB 4.14Å; Y1069-L1100 HydrophobicContact CD1-CD1 4.13Å; Y1069-L1100 HydrophobicContact CD2-CB 4.13Å; Y1069-L1100 HydrophobicContact CE2-CB 4.21Å; Y1069-L1100 HydrophobicContact CG-CB 4.5Å; Y1069-L1100 HydrophobicContact CG-CD1 4.05Å
1070	I	86.7	Confident	79.9	Confident	8 Å²	8	60.7 Å²	60.7	4%	0.041	31%	0.307	C	S	.	.	H	α-helix	trans	-56.9	-50.2	175.4	-72	173.9	0	0	0	110.7	V1066 Q1067 K1072 I1073 K1074 A1103 Q1106 L1107	V1066-I1070 HydrophobicContact CG1-CD1 4.01Å; V1066-I1070 HydrophobicContact CG1-CG1 4.48Å; V1066-I1070 WeakPolarHBondContact O-CG1 3.4Å; V1066-I1070 PolarHBondContact O-N 3.48Å; Q1067-I1070 WeakPolarHBondContact O-CB 3.33Å; Q1067-I1070 PolarHBondContact O-N 2.66Å; Q1067-I1070 VanDerWaalsContact O-N 3.13Å; I1070-K1072 PolarHBondContact O-N 3.12Å; I1070-I1073 PolarHBondContact O-N 2.87Å; I1070-K1074 HydrophobicContact CG2-CD 4.23Å; I1070-K1074 WeakPolarHBondContact O-CG 3.46Å; I1070-K1074 PolarHBondContact O-N 2.9Å; I1070-A1103 HydrophobicContact CG1-CB 3.66Å; I1070-Q1106 HydrophobicContact CD1-CB 3.97Å; I1070-L1107 HydrophobicContact CG1-CD1 4.49Å; I1070-L1107 HydrophobicContact CG1-CG 4.28Å; I1070-L1107 HydrophobicContact CG2-CD2 3.91Å; I1070-L1107 HydrophobicContact CG2-CG 4.25Å
1071	D	88.9	Confident	80	Confident	69 Å²	69	67.5 Å²	67.5	37%	0.369	34%	0.344	S	S	.	.	H	α-helix	trans	-64.6	-43.6	-177.6	-65.1	-17.3	0	0	0	110.9	Q1067 Y1069 I1073 K1074 I1075	Q1067-D1071 PolarHBondContact NE2-OD1 2.96Å; Q1067-D1071 VanDerWaalsContact O-CG 3.25Å; Q1067-D1071 PolarHBondContact O-N 3.44Å; Y1069-D1071 PolarHBondContact O-N 2.76Å; D1071-I1073 VanDerWaalsContact C-N 3.35Å; D1071-I1073 PolarHBondContact O-N 3.34Å; D1071-K1074 PolarHBondContact O-N 2.66Å; D1071-I1075 VanDerWaalsContact O-CG1 3.3Å; D1071-I1075 WeakPolarHBondContact O-CG1 3.45Å; D1071-I1075 PolarHBondContact O-N 3.32Å
1072	K	88.3	Confident	79.9	Confident	76 Å²	76	67.6 Å²	67.6	33%	0.33	35%	0.347	S	S	.	.	H	α-helix	trans	-60.1	-43.4	174.1	-75.8	178	179.9	-179.8	0	112.1	L1068 Y1069 I1070 I1075 M1076 L1092	L1068-K1072 HydrophobicContact CG-CD 4.44Å; L1068-K1072 WeakPolarHBondContact O-CB 3.41Å; L1068-K1072 VanDerWaalsContact O-CG 3.27Å; L1068-K1072 WeakPolarHBondContact O-CG 3.23Å; L1068-K1072 PolarHBondContact O-N 3.2Å; Y1069-K1072 PolarHBondContact O-N 3.21Å; I1070-K1072 PolarHBondContact O-N 3.12Å; K1072-I1075 PolarHBondContact O-N 3Å; K1072-M1076 WeakPolarHBondContact O-CG 3.14Å; K1072-M1076 PolarHBondContact O-N 3Å; K1072-L1092 HydrophobicContact CB-CD1 3.91Å; K1072-L1092 HydrophobicContact CD-CD1 3.79Å; K1072-L1092 HydrophobicContact CG-CD1 4.47Å
1073	I	84.9	Confident	79.2	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-67.4	-42	179.5	-67.2	162.1	0	0	0	110.5	Y1069 I1070 D1071 I1075 M1076 V1077 L1092 L1100 A1103 F1104 L1107 F1113	Y1069-I1073 WeakPolarHBondContact O-CB 3.44Å; Y1069-I1073 WeakPolarHBondContact O-CD1 3.44Å; Y1069-I1073 WeakPolarHBondContact O-CG1 2.94Å; Y1069-I1073 PolarHBondContact O-N 3.49Å; I1070-I1073 PolarHBondContact O-N 2.87Å; D1071-I1073 VanDerWaalsContact C-N 3.35Å; D1071-I1073 PolarHBondContact O-N 3.34Å; I1073-I1075 PolarHBondContact O-N 3.19Å; I1073-M1076 WeakPolarHBondContact O-CB 3.5Å; I1073-M1076 PolarHBondContact O-N 2.89Å; I1073-M1076 VanDerWaalsContact O-N 3.12Å; I1073-V1077 HydrophobicContact CG2-CG2 4.37Å; I1073-V1077 WeakPolarHBondContact O-CG2 3.37Å; I1073-V1077 PolarHBondContact O-N 2.95Å; I1073-L1092 HydrophobicContact CG1-CD2 4.21Å; I1073-L1100 HydrophobicContact CD1-CD1 3.93Å; I1073-A1103 HydrophobicContact CD1-CB 4.32Å; I1073-F1104 HydrophobicContact CD1-CD1 4.25Å; I1073-F1104 HydrophobicContact CD1-CE1 3.91Å; I1073-F1104 HydrophobicContact CD1-CE2 4.49Å; I1073-F1104 HydrophobicContact CD1-CZ 4.04Å; I1073-L1107 HydrophobicContact CB-CD1 3.64Å; I1073-L1107 HydrophobicContact CD1-CD1 3.93Å; I1073-L1107 HydrophobicContact CG1-CD1 4.41Å; I1073-L1107 HydrophobicContact CG2-CD1 3.39Å; I1073-F1113 HydrophobicContact CG2-CE1 3.93Å; I1073-F1113 HydrophobicContact CG2-CE2 4.38Å; I1073-F1113 HydrophobicContact CG2-CZ 3.78Å
1074	K	84.4	Confident	78.3	Confident	99 Å²	99	73 Å²	73	43%	0.43	38%	0.376	S	S	.	.	H	α-helix	trans	-57.7	-47.8	175.5	-75.8	179.1	178.4	177.3	0	111.8	I1070 D1071 M1076 V1077 E1078 L1107	I1070-K1074 HydrophobicContact CG2-CD 4.23Å; I1070-K1074 WeakPolarHBondContact O-CG 3.46Å; I1070-K1074 PolarHBondContact O-N 2.9Å; D1071-K1074 PolarHBondContact O-N 2.66Å; K1074-M1076 VanDerWaalsContact C-N 3.27Å; K1074-M1076 PolarHBondContact O-N 3.4Å; K1074-V1077 WeakPolarHBondContact O-CB 3.46Å; K1074-V1077 PolarHBondContact O-N 3.18Å; K1074-V1077 VanDerWaalsContact O-N 3.08Å; K1074-E1078 WeakPolarHBondContact O-CG 3.18Å; K1074-E1078 PolarHBondContact O-N 2.76Å; K1074-L1107 HydrophobicContact CD-CD2 4.37Å; K1074-L1107 HydrophobicContact CG-CD2 3.83Å
1075	I	84.6	Confident	77.3	Confident	92 Å²	92	69.9 Å²	69.9	47%	0.472	37%	0.365	S	S	.	.	H	α-helix	trans	-59.5	-40	176.1	-66.7	165.7	0	0	0	110.9	D1071 K1072 I1073 V1077 E1078 N1079	D1071-I1075 VanDerWaalsContact O-CG1 3.3Å; D1071-I1075 WeakPolarHBondContact O-CG1 3.45Å; D1071-I1075 PolarHBondContact O-N 3.32Å; K1072-I1075 PolarHBondContact O-N 3Å; I1073-I1075 PolarHBondContact O-N 3.19Å; I1075-V1077 VanDerWaalsContact C-N 3.33Å; I1075-V1077 PolarHBondContact O-N 2.77Å; I1075-E1078 PolarHBondContact O-N 3.31Å; I1075-N1079 WeakPolarHBondContact CG2-ND2 3.46Å; I1075-N1079 WeakPolarHBondContact O-CB 3.33Å; I1075-N1079 VanDerWaalsContact O-CG 3.24Å; I1075-N1079 PolarHBondContact O-N 3.5Å; I1075-N1079 PolarHBondContact O-ND2 3.28Å
1076	M	83.6	Confident	76.8	Confident	27 Å²	27	71.7 Å²	71.7	13%	0.133	37%	0.373	C	S	.	.	H	α-helix	trans	-65.1	-35.4	176.3	-70.9	170.8	-178.9	0	0	113	K1072 I1073 K1074 N1080 K1091 L1092 F1113	K1072-M1076 WeakPolarHBondContact O-CG 3.14Å; K1072-M1076 PolarHBondContact O-N 3Å; I1073-M1076 WeakPolarHBondContact O-CB 3.5Å; I1073-M1076 PolarHBondContact O-N 2.89Å; I1073-M1076 VanDerWaalsContact O-N 3.12Å; K1074-M1076 VanDerWaalsContact C-N 3.27Å; K1074-M1076 PolarHBondContact O-N 3.4Å; M1076-N1080 PolarHBondContact O-N 2.74Å; M1076-N1080 PolarHBondContact O-ND2 3.08Å; M1076-K1091 WeakPolarHBondContact CE-O 3.44Å; M1076-L1092 HydrophobicContact CE-CB 3.88Å; M1076-L1092 HydrophobicContact CE-CD1 3.57Å; M1076-L1092 HydrophobicContact CE-CG 4.29Å; M1076-L1092 HydrophobicContact SD-CB 4.32Å; M1076-L1092 HydrophobicContact SD-CD1 4.37Å; M1076-F1113 HydrophobicContact CB-CZ 4.28Å
1077	V	77.7	Confident	76.5	Confident	38 Å²	38	71.7 Å²	71.7	23%	0.23	37%	0.373	C	S	.	.	H	α-helix	trans	-70.7	-44.8	176.1	175	0	0	0	0	110.4	I1073 K1074 I1075 N1079 N1080 M1109 F1113	I1073-V1077 HydrophobicContact CG2-CG2 4.37Å; I1073-V1077 WeakPolarHBondContact O-CG2 3.37Å; I1073-V1077 PolarHBondContact O-N 2.95Å; K1074-V1077 WeakPolarHBondContact O-CB 3.46Å; K1074-V1077 PolarHBondContact O-N 3.18Å; K1074-V1077 VanDerWaalsContact O-N 3.08Å; I1075-V1077 VanDerWaalsContact C-N 3.33Å; I1075-V1077 PolarHBondContact O-N 2.77Å; V1077-N1079 VanDerWaalsContact C-N 3.34Å; V1077-N1079 PolarHBondContact O-N 3.44Å; V1077-N1080 PolarHBondContact O-N 3.14Å; V1077-M1109 HydrophobicContact CB-CE 4.49Å; V1077-M1109 HydrophobicContact CG1-CE 4.38Å; V1077-M1109 HydrophobicContact CG2-CE 3.28Å; V1077-M1109 HydrophobicContact CG2-SD 4.14Å; V1077-F1113 HydrophobicContact CG2-CD2 4.28Å; V1077-F1113 HydrophobicContact CG2-CE2 3.51Å; V1077-F1113 HydrophobicContact CG2-CZ 4.2Å
1078	E	79.3	Confident	76.3	Confident	140 Å²	140	67.8 Å²	67.8	65%	0.654	36%	0.355	S	S	*	.	H	α-helix	trans	-64	-37.5	179.4	-72.2	171.3	-172.8	0	0	112.5	K1074 I1075 N1080	K1074-E1078 WeakPolarHBondContact O-CG 3.18Å; K1074-E1078 PolarHBondContact O-N 2.76Å; I1075-E1078 PolarHBondContact O-N 3.31Å; E1078-N1080 VanDerWaalsContact C-N 3.35Å
1079	N	77.3	Confident	76.2	Confident	124 Å²	124	64.7 Å²	64.7	66%	0.663	34%	0.339	S	S	*	.	H	α-helix	trans	-76.4	-20	179.8	-72.7	-27.9	0	0	0	113.9	I1075 V1077	I1075-N1079 WeakPolarHBondContact CG2-ND2 3.46Å; I1075-N1079 WeakPolarHBondContact O-CB 3.33Å; I1075-N1079 VanDerWaalsContact O-CG 3.24Å; I1075-N1079 PolarHBondContact O-N 3.5Å; I1075-N1079 PolarHBondContact O-ND2 3.28Å; V1077-N1079 VanDerWaalsContact C-N 3.34Å; V1077-N1079 PolarHBondContact O-N 3.44Å
1080	N	69	Low	76.1	Confident	57 Å²	57	65.8 Å²	65.8	31%	0.305	35%	0.347	S	S	.	.			trans	-96	94.7	177.3	-78.6	-57.7	0	0	0	109	M1076 V1077 E1078 C1082 V1088	M1076-N1080 PolarHBondContact O-N 2.74Å; M1076-N1080 PolarHBondContact O-ND2 3.08Å; V1077-N1080 PolarHBondContact O-N 3.14Å; E1078-N1080 VanDerWaalsContact C-N 3.35Å; N1080-C1082 PolarHBondContact O-N 2.99Å; N1080-V1088 HydrophobicContact CB-CG1 3.93Å; N1080-V1088 HydrophobicContact CB-CG2 4.33Å; N1080-V1088 WeakPolarHBondContact ND2-CG1 3.31Å
1081	N	60.1	Low	76.1	Confident	168 Å²	168	70.5 Å²	70.5	90%	0.898	37%	0.367	S	S	*	.			trans	-68.1	54.8	172.5	-84.9	-22.7	0	0	0	112
1082	C	58.5	Low	76.1	Confident	36 Å²	36	67.3 Å²	67.3	24%	0.243	35%	0.35	C	S	.	.			trans	-84.4	135.8	180	-71.5	0	0	0	0	110.7	N1080 Q1086	N1080-C1082 PolarHBondContact O-N 2.99Å; C1082-Q1086 HydrophobicContact CB-CB 4.18Å
1083	E	58.4	Low	75.9	Confident	143 Å²	143	68.7 Å²	68.7	67%	0.668	36%	0.361	S	S	*	.			trans	-59.7	151.3	166.5	-67.9	-176.5	170.7	0	0	109.9	S1085 Q1086	E1083-S1085 PolarHBondContact O-N 3.07Å; E1083-Q1086 PolarHBondContact O-N 2.85Å
1084	T	56.4	Low	75.9	Confident	135 Å²	135	69.6 Å²	69.6	83%	0.828	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-5.1	-172.8	48	0	0	0	0	116
1085	S	57.2	Low	75.4	Confident	67 Å²	67	71.5 Å²	71.5	47%	0.469	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-9	179.2	59.4	0	0	0	0	114.7	E1083	E1083-S1085 PolarHBondContact O-N 3.07Å
1086	Q	68.2	Low	75.1	Confident	69 Å²	69	70.3 Å²	70.3	32%	0.322	36%	0.364	S	S	.	.	S	Bend	trans	-102.4	148	-177.4	-67.5	-179.7	-11.5	0	0	112.1	C1082 E1083	C1082-Q1086 HydrophobicContact CB-CB 4.18Å; E1083-Q1086 PolarHBondContact O-N 2.85Å
1087	A	77	Confident	74.7	Confident	3 Å²	3	72.5 Å²	72.5	3%	0.025	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-74.9	140.8	173.3	0	0	0	0	0	110.8	I1089 P1112 V1209 N1210 L1213	A1087-I1089 HydrophobicContact CB-CD1 4.16Å; A1087-I1089 HydrophobicContact CB-CG1 3.98Å; A1087-P1112 WeakPolarHBondContact CA-O 3.14Å; A1087-P1112 HydrophobicContact CB-CB 4.07Å; A1087-V1209 HydrophobicContact CB-CG1 3.63Å; A1087-N1210 PolarHBondContact N-OD1 3.4Å; A1087-L1213 HydrophobicContact CB-CD1 3.42Å; A1087-L1213 VanDerWaalsContact CB-CD1 3.42Å
1088	V	83.5	Confident	74.6	Confident	1 Å²	1	72 Å²	72	1%	0.006	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	123.6	165.2	179.6	0	0	0	0	108.7	N1080 Q1111 P1112 F1113 V1114	N1080-V1088 HydrophobicContact CB-CG1 3.93Å; N1080-V1088 HydrophobicContact CB-CG2 4.33Å; N1080-V1088 WeakPolarHBondContact ND2-CG1 3.31Å; V1088-Q1111 VanDerWaalsContact CG2-NE2 3.35Å; V1088-P1112 PolarHBondContact N-O 3.13Å; V1088-P1112 VanDerWaalsContact N-O 3.14Å; V1088-F1113 HydrophobicContact CB-CD2 3.46Å; V1088-F1113 VanDerWaalsContact CB-CD2 3.46Å; V1088-F1113 HydrophobicContact CB-CE2 3.38Å; V1088-F1113 HydrophobicContact CB-CZ 4.43Å; V1088-F1113 HydrophobicContact CG1-CD2 3.86Å; V1088-F1113 HydrophobicContact CG1-CE2 3.2Å; V1088-F1113 HydrophobicContact CG1-CZ 3.91Å; V1088-F1113 HydrophobicContact CG2-CD2 4.33Å; V1088-F1113 HydrophobicContact CG2-CE2 4.27Å; V1088-F1113 WeakPolarHBondContact O-CA 3.31Å; V1088-V1114 PolarHBondContact O-N 2.94Å
1089	I	87.1	Confident	74.8	Confident	6 Å²	6	65.6 Å²	65.6	3%	0.031	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	120.8	-174.3	-56.4	173.1	0	0	0	107.6	A1087 V1114 H1202 L1205 E1206 V1209	A1087-I1089 HydrophobicContact CB-CD1 4.16Å; A1087-I1089 HydrophobicContact CB-CG1 3.98Å; I1089-V1114 WeakPolarHBondContact CA-O 3.44Å; I1089-V1114 HydrophobicContact CG1-CB 4.16Å; I1089-V1114 HydrophobicContact CG1-CG2 4.5Å; I1089-V1114 HydrophobicContact CG2-CB 4.42Å; I1089-H1202 PolarHBondContact O-CE1 2.89Å; I1089-L1205 HydrophobicContact CG2-CD2 4.09Å; I1089-L1205 HydrophobicContact CG2-CG 4.36Å; I1089-E1206 HydrophobicContact CD1-CB 4.05Å; I1089-E1206 HydrophobicContact CD1-CG 4.11Å; I1089-V1209 HydrophobicContact CD1-CB 3.59Å; I1089-V1209 HydrophobicContact CD1-CG1 3.72Å; I1089-V1209 HydrophobicContact CD1-CG2 3.99Å; I1089-V1209 HydrophobicContact CG1-CG1 4.47Å
1090	S	87.1	Confident	75.2	Confident	23 Å²	23	59.7 Å²	59.7	16%	0.161	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	152.6	-175.8	-165.3	0	0	0	0	113.2	V1114 V1115 Y1116	S1090-V1114 PolarHBondContact N-O 2.84Å; S1090-V1115 WeakPolarHBondContact O-CA 3.36Å; S1090-Y1116 VanDerWaalsContact C-CE1 3.49Å; S1090-Y1116 VanDerWaalsContact O-CD1 3.31Å; S1090-Y1116 WeakPolarHBondContact O-CD1 3.32Å; S1090-Y1116 PolarHBondContact O-N 3.09Å; S1090-Y1116 VanDerWaalsContact O-N 3.08Å
1091	K	87.4	Confident	75.8	Confident	107 Å²	107	57 Å²	57	47%	0.465	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	121.8	174.2	-171.4	178.9	176.1	-179	0	108.9	M1076 Y1116	M1076-K1091 WeakPolarHBondContact CE-O 3.44Å; K1091-Y1116 WeakPolarHBondContact CA-O 3.07Å; K1091-Y1116 HydrophobicContact CB-CE1 4.01Å; K1091-Y1116 HydrophobicContact CB-CE2 4.07Å; K1091-Y1116 HydrophobicContact CD-CE2 4.44Å; K1091-Y1116 HydrophobicContact CG-CE2 4.05Å
1092	L	88.3	Confident	76.9	Confident	3 Å²	3	50.3 Å²	50.3	2%	0.016	26%	0.261	C	S	.	.			trans	-127.7	122.7	175.7	179.4	64.4	0	0	0	109	Y1069 K1072 I1073 M1076 F1094 L1100 V1115 Y1116 N1117	Y1069-L1092 HydrophobicContact CD1-CD1 4.38Å; Y1069-L1092 HydrophobicContact CD1-CD2 4.1Å; Y1069-L1092 HydrophobicContact CD1-CG 4.48Å; K1072-L1092 HydrophobicContact CB-CD1 3.91Å; K1072-L1092 HydrophobicContact CD-CD1 3.79Å; K1072-L1092 HydrophobicContact CG-CD1 4.47Å; I1073-L1092 HydrophobicContact CG1-CD2 4.21Å; M1076-L1092 HydrophobicContact CE-CB 3.88Å; M1076-L1092 HydrophobicContact CE-CD1 3.57Å; M1076-L1092 HydrophobicContact CE-CG 4.29Å; M1076-L1092 HydrophobicContact SD-CB 4.32Å; M1076-L1092 HydrophobicContact SD-CD1 4.37Å; L1092-F1094 HydrophobicContact CB-CD1 4.39Å; L1092-F1094 HydrophobicContact CG-CD1 4.45Å; L1092-F1094 WeakPolarHBondContact O-CD1 3.36Å; L1092-F1094 PolarHBondContact O-N 2.98Å; L1092-F1094 VanDerWaalsContact O-N 3.14Å; L1092-L1100 HydrophobicContact CD2-CD1 3.57Å; L1092-L1100 HydrophobicContact CD2-CD2 4.36Å; L1092-V1115 HydrophobicContact CB-CB 4.04Å; L1092-V1115 HydrophobicContact CB-CG1 4.07Å; L1092-V1115 HydrophobicContact CD2-CB 4.36Å; L1092-V1115 HydrophobicContact CD2-CG1 4.06Å; L1092-Y1116 PolarHBondContact N-O 3.28Å; L1092-N1117 VanDerWaalsContact O-CB 3.27Å; L1092-N1117 WeakPolarHBondContact O-CB 3.48Å
1093	D	84.3	Confident	78.2	Confident	105 Å²	105	48.6 Å²	48.6	56%	0.561	25%	0.249	S	C	*	.			trans	-75.7	104.3	174.1	-166.4	4.5	0	0	0	110	N1117	D1093-N1117 PolarHBondContact OD1-ND2 3.41Å
1094	F	84.5	Confident	79.4	Confident	19 Å²	19	41.9 Å²	41.9	8%	0.083	22%	0.218	C	C	.	.			trans	-123.4	138.4	179	62.9	-101.3	0	0	0	112.3	Y1069 L1092 L1100 V1115 N1117 L1120 I1122	Y1069-F1094 HydrophobicContact CE1-CB 3.94Å; Y1069-F1094 WeakPolarHBondContact OH-CA 3.4Å; L1092-F1094 HydrophobicContact CB-CD1 4.39Å; L1092-F1094 HydrophobicContact CG-CD1 4.45Å; L1092-F1094 WeakPolarHBondContact O-CD1 3.36Å; L1092-F1094 PolarHBondContact O-N 2.98Å; L1092-F1094 VanDerWaalsContact O-N 3.14Å; F1094-L1100 HydrophobicContact CB-CD2 3.65Å; F1094-L1100 HydrophobicContact CD1-CD2 3.61Å; F1094-L1100 HydrophobicContact CD2-CD2 4.01Å; F1094-L1100 HydrophobicContact CE1-CD2 4.25Å; F1094-L1100 HydrophobicContact CG-CD2 3.49Å; F1094-L1100 VanDerWaalsContact CG-CD2 3.49Å; F1094-V1115 HydrophobicContact CE1-CG2 4.25Å; F1094-N1117 HydrophobicContact CD1-CB 3.73Å; F1094-N1117 HydrophobicContact CD2-CB 4.44Å; F1094-N1117 HydrophobicContact CE1-CB 3.45Å; F1094-N1117 VanDerWaalsContact CE1-CB 3.45Å; F1094-N1117 HydrophobicContact CE2-CB 4.2Å; F1094-N1117 HydrophobicContact CG-CB 4.21Å; F1094-N1117 HydrophobicContact CZ-CB 3.7Å; F1094-N1117 PolarHBondContact N-ND2 3.27Å; F1094-N1117 VanDerWaalsContact N-ND2 3.11Å; F1094-N1117 PolarHBondContact O-ND2 2.88Å; F1094-L1120 HydrophobicContact CE2-CB 4.49Å; F1094-L1120 HydrophobicContact CZ-CB 4.21Å; F1094-I1122 HydrophobicContact CE1-CD1 4.43Å; F1094-I1122 HydrophobicContact CE2-CD1 4.11Å; F1094-I1122 HydrophobicContact CZ-CD1 4.04Å; F1094-I1122 HydrophobicContact CZ-CG1 4.29Å
1095	H	74.4	Confident	80.6	Confident	138 Å²	138	37.6 Å²	37.6	64%	0.639	19%	0.189	S	C	*	.	S	Bend	trans	-132.5	-14.2	178.9	57.9	-83.7	0	0	0	112.8	Y1069	Y1069-H1095 PolarHBondContact OH-N 3.38Å
1096	R	77.5	Confident	81.9	Confident	67 Å²	67	39.6 Å²	39.6	25%	0.253	19%	0.191	S	C	.	.			trans	-117.6	101.7	173.8	-41.2	-175.4	59	167.1	-0.8	110.8	I1060 D1062 E1099 L1100	I1060-R1096 PolarHBondContact O-NH2 2.86Å; D1062-R1096 IonicContact OD2-NH1 3.45Å; R1096-E1099 HydrophobicContact CB-CB 4.34Å; R1096-E1099 HydrophobicContact CB-CG 4.25Å; R1096-E1099 WeakPolarHBondContact CB-OE2 3.33Å; R1096-E1099 IonicContact CZ-OE1 2.81Å; R1096-E1099 VanDerWaalsContact NE-CD 3.34Å; R1096-E1099 IonicContact NE-OE1 3.99Å; R1096-E1099 PolarHBondContact NE-OE1 3.19Å; R1096-E1099 IonicContact NE-OE2 3.97Å; R1096-E1099 IonicContact NH1-OE1 3.65Å; R1096-E1099 IonicContact NH2-OE1 3.25Å; R1096-E1099 PolarHBondContact NH2-OE1 3.32Å; R1096-L1100 PolarHBondContact O-N 3.44Å
1097	L	76.3	Confident	82.6	Confident	73 Å²	73	38 Å²	38	38%	0.382	19%	0.185	S	C	.	.	H	α-helix	trans	-69.3	-38.5	-168.2	-176.1	65.9	0	0	0	112.9	L1100 I1101 I1122 L1161	L1097-L1100 PolarHBondContact O-N 3.5Å; L1097-I1101 HydrophobicContact CD1-CD1 4.41Å; L1097-I1101 HydrophobicContact CG-CD1 3.97Å; L1097-I1101 VanDerWaalsContact O-CG1 3.23Å; L1097-I1101 WeakPolarHBondContact O-CG1 3.32Å; L1097-I1101 PolarHBondContact O-N 2.93Å; L1097-I1122 HydrophobicContact CD1-CD1 3.39Å; L1097-I1122 HydrophobicContact CD1-CG1 4.29Å; L1097-L1161 HydrophobicContact CD1-CD1 4.34Å; L1097-L1161 HydrophobicContact CD2-CD1 4.15Å
1098	N	75.5	Confident	82.6	Confident	29 Å²	29	43.3 Å²	43.3	16%	0.155	21%	0.213	C	C	.	.	H	α-helix	trans	-67.3	-37.9	-177.4	-77.2	-29.8	0	0	0	112	T1058 I1061 I1101 L1102 S1163	T1058-N1098 PolarHBondContact O-ND2 3.05Å; I1061-N1098 HydrophobicContact CD1-CB 4.34Å; N1098-I1101 PolarHBondContact O-N 2.81Å; N1098-L1102 PolarHBondContact O-N 3.32Å; N1098-S1163 PolarHBondContact OD1-OG 3.06Å
1099	E	83.3	Confident	82.3	Confident	4 Å²	4	44.3 Å²	44.3	2%	0.019	22%	0.218	C	C	.	.	H	α-helix	trans	-69.6	-40.5	178.5	-66.2	76.5	175.5	0	0	110.8	I1061 V1066 Y1069 R1096 L1102 A1103	I1061-E1099 HydrophobicContact CG2-CG 4.39Å; V1066-E1099 HydrophobicContact CG2-CB 3.77Å; V1066-E1099 HydrophobicContact CG2-CG 4.05Å; Y1069-E1099 HydrophobicContact CD2-CB 4.18Å; Y1069-E1099 HydrophobicContact CE2-CB 4.14Å; R1096-E1099 HydrophobicContact CB-CB 4.34Å; R1096-E1099 HydrophobicContact CB-CG 4.25Å; R1096-E1099 WeakPolarHBondContact CB-OE2 3.33Å; R1096-E1099 IonicContact CZ-OE1 2.81Å; R1096-E1099 VanDerWaalsContact NE-CD 3.34Å; R1096-E1099 IonicContact NE-OE1 3.99Å; R1096-E1099 PolarHBondContact NE-OE1 3.19Å; R1096-E1099 IonicContact NE-OE2 3.97Å; R1096-E1099 IonicContact NH1-OE1 3.65Å; R1096-E1099 IonicContact NH2-OE1 3.25Å; R1096-E1099 PolarHBondContact NH2-OE1 3.32Å; E1099-L1102 PolarHBondContact O-N 3.08Å; E1099-A1103 WeakPolarHBondContact O-CB 3.3Å; E1099-A1103 PolarHBondContact O-N 3.17Å
1100	L	85	Confident	81.8	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-65	-40.3	172.9	179	59.9	0	0	0	111.7	Y1069 I1073 L1092 F1094 R1096 L1097 A1103 F1104 V1115 I1122	Y1069-L1100 HydrophobicContact CD1-CD1 4.13Å; Y1069-L1100 HydrophobicContact CD2-CB 4.13Å; Y1069-L1100 HydrophobicContact CE2-CB 4.21Å; Y1069-L1100 HydrophobicContact CG-CB 4.5Å; Y1069-L1100 HydrophobicContact CG-CD1 4.05Å; I1073-L1100 HydrophobicContact CD1-CD1 3.93Å; L1092-L1100 HydrophobicContact CD2-CD1 3.57Å; L1092-L1100 HydrophobicContact CD2-CD2 4.36Å; F1094-L1100 HydrophobicContact CB-CD2 3.65Å; F1094-L1100 HydrophobicContact CD1-CD2 3.61Å; F1094-L1100 HydrophobicContact CD2-CD2 4.01Å; F1094-L1100 HydrophobicContact CE1-CD2 4.25Å; F1094-L1100 HydrophobicContact CG-CD2 3.49Å; F1094-L1100 VanDerWaalsContact CG-CD2 3.49Å; R1096-L1100 PolarHBondContact O-N 3.44Å; L1097-L1100 PolarHBondContact O-N 3.5Å; L1100-A1103 WeakPolarHBondContact O-CB 3.36Å; L1100-A1103 PolarHBondContact O-N 2.69Å; L1100-F1104 HydrophobicContact CD1-CD2 4.09Å; L1100-F1104 HydrophobicContact CD1-CE2 3.64Å; L1100-F1104 HydrophobicContact CD1-CZ 4.29Å; L1100-F1104 HydrophobicContact CD2-CE2 4.22Å; L1100-F1104 HydrophobicContact CG-CD2 4.01Å; L1100-F1104 HydrophobicContact CG-CE2 3.69Å; L1100-F1104 WeakPolarHBondContact O-CD2 3.48Å; L1100-F1104 PolarHBondContact O-N 3.24Å; L1100-V1115 HydrophobicContact CD2-CG2 4.18Å; L1100-I1122 HydrophobicContact CD2-CD1 3.5Å; L1100-I1122 HydrophobicContact CG-CD1 4.35Å
1101	I	81.3	Confident	81.3	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62.3	-45.8	174.8	-71.5	168.3	0	0	0	110.5	L1097 N1098 A1103 F1104 I1105 L1161 L1166	L1097-I1101 HydrophobicContact CD1-CD1 4.41Å; L1097-I1101 HydrophobicContact CG-CD1 3.97Å; L1097-I1101 VanDerWaalsContact O-CG1 3.23Å; L1097-I1101 WeakPolarHBondContact O-CG1 3.32Å; L1097-I1101 PolarHBondContact O-N 2.93Å; N1098-I1101 PolarHBondContact O-N 2.81Å; I1101-A1103 VanDerWaalsContact C-N 3.32Å; I1101-A1103 PolarHBondContact O-N 3.3Å; I1101-F1104 WeakPolarHBondContact O-CB 3.27Å; I1101-F1104 PolarHBondContact O-N 2.92Å; I1101-I1105 HydrophobicContact CG2-CD1 3.81Å; I1101-I1105 HydrophobicContact CG2-CG1 4.42Å; I1101-I1105 WeakPolarHBondContact O-CG1 3.39Å; I1101-I1105 PolarHBondContact O-N 3.32Å; I1101-L1161 HydrophobicContact CD1-CD1 4.12Å; I1101-L1161 HydrophobicContact CD1-CD2 3.58Å; I1101-L1161 HydrophobicContact CD1-CG 3.84Å; I1101-L1161 HydrophobicContact CG1-CD2 3.75Å; I1101-L1166 HydrophobicContact CG2-CD1 4.38Å; I1101-L1166 HydrophobicContact CG2-CD2 3.91Å; I1101-L1166 HydrophobicContact CG2-CG 3.91Å
1102	L	83.5	Confident	81.2	Confident	29 Å²	29	46 Å²	46	15%	0.152	23%	0.234	C	C	.	.	H	α-helix	trans	-59.3	-42.6	173.9	-84.3	-158.7	0	0	0	112.5	I1061 V1066 N1098 E1099 F1104 I1105 Q1106 H1165	I1061-L1102 HydrophobicContact CB-CD1 4.41Å; I1061-L1102 HydrophobicContact CD1-CD1 3.16Å; I1061-L1102 HydrophobicContact CD1-CG 3.55Å; I1061-L1102 HydrophobicContact CG1-CD1 4.26Å; I1061-L1102 HydrophobicContact CG2-CD1 3.6Å; V1066-L1102 HydrophobicContact CG1-CB 4.23Å; V1066-L1102 HydrophobicContact CG2-CB 4.22Å; V1066-L1102 HydrophobicContact CG2-CD1 4.32Å; N1098-L1102 PolarHBondContact O-N 3.32Å; E1099-L1102 PolarHBondContact O-N 3.08Å; L1102-F1104 VanDerWaalsContact C-N 3.28Å; L1102-F1104 PolarHBondContact O-N 3.26Å; L1102-I1105 HydrophobicContact CD2-CD1 4.34Å; L1102-I1105 PolarHBondContact O-N 2.96Å; L1102-Q1106 WeakPolarHBondContact O-CB 3.33Å; L1102-Q1106 WeakPolarHBondContact O-CG 3.01Å; L1102-Q1106 PolarHBondContact O-N 2.84Å; L1102-H1165 HydrophobicContact CD2-CB 3.74Å; L1102-H1165 HydrophobicContact CG-CB 4.44Å
1103	A	85.9	Confident	81.2	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-58	-42.7	175.9	0	0	0	0	0	111.3	V1066 I1070 I1073 E1099 L1100 I1101 Q1106 L1107	V1066-A1103 HydrophobicContact CG1-CB 4.19Å; I1070-A1103 HydrophobicContact CG1-CB 3.66Å; I1073-A1103 HydrophobicContact CD1-CB 4.32Å; E1099-A1103 WeakPolarHBondContact O-CB 3.3Å; E1099-A1103 PolarHBondContact O-N 3.17Å; L1100-A1103 WeakPolarHBondContact O-CB 3.36Å; L1100-A1103 PolarHBondContact O-N 2.69Å; I1101-A1103 VanDerWaalsContact C-N 3.32Å; I1101-A1103 PolarHBondContact O-N 3.3Å; A1103-Q1106 PolarHBondContact O-N 3.13Å; A1103-L1107 WeakPolarHBondContact O-CB 3.4Å; A1103-L1107 WeakPolarHBondContact O-CG 3.37Å; A1103-L1107 PolarHBondContact O-N 3.1Å
1104	F	84.3	Confident	81.4	Confident	1 Å²	1	40.8 Å²	40.8	0%	0.004	21%	0.207	C	C	.	.	H	α-helix	trans	-63.6	-43.8	174.5	-80.8	-59.8	0	0	0	113.6	I1073 L1100 I1101 L1102 Q1106 L1107 N1108 F1113 V1115 I1122 Y1174	I1073-F1104 HydrophobicContact CD1-CD1 4.25Å; I1073-F1104 HydrophobicContact CD1-CE1 3.91Å; I1073-F1104 HydrophobicContact CD1-CE2 4.49Å; I1073-F1104 HydrophobicContact CD1-CZ 4.04Å; L1100-F1104 HydrophobicContact CD1-CD2 4.09Å; L1100-F1104 HydrophobicContact CD1-CE2 3.64Å; L1100-F1104 HydrophobicContact CD1-CZ 4.29Å; L1100-F1104 HydrophobicContact CD2-CE2 4.22Å; L1100-F1104 HydrophobicContact CG-CD2 4.01Å; L1100-F1104 HydrophobicContact CG-CE2 3.69Å; L1100-F1104 WeakPolarHBondContact O-CD2 3.48Å; L1100-F1104 PolarHBondContact O-N 3.24Å; I1101-F1104 WeakPolarHBondContact O-CB 3.27Å; I1101-F1104 PolarHBondContact O-N 2.92Å; L1102-F1104 VanDerWaalsContact C-N 3.28Å; L1102-F1104 PolarHBondContact O-N 3.26Å; F1104-Q1106 VanDerWaalsContact C-N 3.35Å; F1104-L1107 PolarHBondContact O-N 3.45Å; F1104-N1108 PolarHBondContact O-N 3.25Å; F1104-F1113 AromaticContact CE1-CD1 3.45Å; F1104-F1113 HydrophobicContact CE1-CD1 3.45Å; F1104-F1113 VanDerWaalsContact CE1-CD1 3.45Å; F1104-F1113 AromaticContact CE1-CE1 3.9Å; F1104-F1113 HydrophobicContact CE1-CE1 3.9Å; F1104-F1113 HydrophobicContact CE1-CG 4.26Å; F1104-F1113 AromaticContact CZ-CD1 3.86Å; F1104-F1113 HydrophobicContact CZ-CD1 3.86Å; F1104-F1113 HydrophobicContact CZ-CE1 4.18Å; F1104-V1115 HydrophobicContact CE2-CG2 3.73Å; F1104-V1115 HydrophobicContact CZ-CB 4.33Å; F1104-V1115 HydrophobicContact CZ-CG1 3.81Å; F1104-V1115 HydrophobicContact CZ-CG2 3.54Å; F1104-I1122 HydrophobicContact CE2-CG2 4.31Å; F1104-Y1174 HydrophobicContact CB-CE1 3.78Å; F1104-Y1174 HydrophobicContact CG-CE1 4.28Å
1105	I	81.2	Confident	81.7	Confident	45 Å²	45	39.9 Å²	39.9	23%	0.231	20%	0.203	C	C	.	.	H	α-helix	trans	-62.2	-45.3	178.3	-66.5	165.7	0	0	0	109.9	I1101 L1102 L1107 N1108 H1165 L1166	I1101-I1105 HydrophobicContact CG2-CD1 3.81Å; I1101-I1105 HydrophobicContact CG2-CG1 4.42Å; I1101-I1105 WeakPolarHBondContact O-CG1 3.39Å; I1101-I1105 PolarHBondContact O-N 3.32Å; L1102-I1105 HydrophobicContact CD2-CD1 4.34Å; L1102-I1105 PolarHBondContact O-N 2.96Å; I1105-L1107 PolarHBondContact O-N 2.82Å; I1105-N1108 PolarHBondContact O-N 2.85Å; I1105-H1165 HydrophobicContact CD1-CB 4.47Å; I1105-H1165 WeakPolarHBondContact CD1-O 3.5Å; I1105-L1166 HydrophobicContact CD1-CD2 3.92Å; I1105-L1166 HydrophobicContact CG1-CD2 4.29Å
1106	Q	84.6	Confident	82.4	Confident	110 Å²	110	33.6 Å²	33.6	51%	0.514	17%	0.173	S	C	.	.	H	α-helix	trans	-66.7	-34.7	-179.3	-71.9	-177.3	16.4	0	0	113.1	I1070 L1102 A1103 F1104 N1108	I1070-Q1106 HydrophobicContact CD1-CB 3.97Å; L1102-Q1106 WeakPolarHBondContact O-CB 3.33Å; L1102-Q1106 WeakPolarHBondContact O-CG 3.01Å; L1102-Q1106 PolarHBondContact O-N 2.84Å; A1103-Q1106 PolarHBondContact O-N 3.13Å; F1104-Q1106 VanDerWaalsContact C-N 3.35Å; Q1106-N1108 VanDerWaalsContact C-N 3.29Å; Q1106-N1108 PolarHBondContact O-N 2.96Å
1107	L	83.1	Confident	82.8	Confident	35 Å²	35	31.4 Å²	31.4	18%	0.183	17%	0.166	C	C	.	.	H	α-helix	trans	-70.4	-24.7	176.4	-79.9	169	0	0	0	113.5	I1070 I1073 K1074 A1103 F1104 I1105 M1109	I1070-L1107 HydrophobicContact CG1-CD1 4.49Å; I1070-L1107 HydrophobicContact CG1-CG 4.28Å; I1070-L1107 HydrophobicContact CG2-CD2 3.91Å; I1070-L1107 HydrophobicContact CG2-CG 4.25Å; I1073-L1107 HydrophobicContact CB-CD1 3.64Å; I1073-L1107 HydrophobicContact CD1-CD1 3.93Å; I1073-L1107 HydrophobicContact CG1-CD1 4.41Å; I1073-L1107 HydrophobicContact CG2-CD1 3.39Å; K1074-L1107 HydrophobicContact CD-CD2 4.37Å; K1074-L1107 HydrophobicContact CG-CD2 3.83Å; A1103-L1107 WeakPolarHBondContact O-CB 3.4Å; A1103-L1107 WeakPolarHBondContact O-CG 3.37Å; A1103-L1107 PolarHBondContact O-N 3.1Å; F1104-L1107 PolarHBondContact O-N 3.45Å; I1105-L1107 PolarHBondContact O-N 2.82Å; L1107-M1109 VanDerWaalsContact C-N 3.3Å; L1107-M1109 HydrophobicContact CB-CG 4.06Å; L1107-M1109 HydrophobicContact CB-SD 4.47Å; L1107-M1109 PolarHBondContact O-N 3.42Å
1108	N	77.6	Confident	83.1	Confident	115 Å²	115	30.3 Å²	30.3	62%	0.615	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	43.2	53.8	-179.3	-167.2	28.2	0	0	0	113.3	F1104 I1105 Q1106 T1110	F1104-N1108 PolarHBondContact O-N 3.25Å; I1105-N1108 PolarHBondContact O-N 2.85Å; Q1106-N1108 VanDerWaalsContact C-N 3.29Å; Q1106-N1108 PolarHBondContact O-N 2.96Å; N1108-T1110 PolarHBondContact O-N 3.47Å
1109	M	76.6	Confident	83.5	Confident	22 Å²	22	30.3 Å²	30.3	11%	0.108	16%	0.161	C	C	.	.			trans	-60.1	136	-175.7	-67.7	-73.6	-74.2	0	0	111.2	V1077 L1107 Q1111 F1113 Y1124	V1077-M1109 HydrophobicContact CB-CE 4.49Å; V1077-M1109 HydrophobicContact CG1-CE 4.38Å; V1077-M1109 HydrophobicContact CG2-CE 3.28Å; V1077-M1109 HydrophobicContact CG2-SD 4.14Å; L1107-M1109 VanDerWaalsContact C-N 3.3Å; L1107-M1109 HydrophobicContact CB-CG 4.06Å; L1107-M1109 HydrophobicContact CB-SD 4.47Å; L1107-M1109 PolarHBondContact O-N 3.42Å; M1109-Q1111 HydrophobicContact CE-CG 4.22Å; M1109-F1113 HydrophobicContact CE-CD2 3.56Å; M1109-F1113 HydrophobicContact CE-CE2 3.95Å; M1109-F1113 HydrophobicContact CE-CG 4.35Å; M1109-Y1124 HydrophobicContact CB-CD1 4.17Å; M1109-Y1124 HydrophobicContact CB-CE1 3.67Å; M1109-Y1124 WeakPolarHBondContact O-CE1 3.34Å; M1109-Y1124 PolarHBondContact O-OH 3.23Å
1110	T	75.4	Confident	83.7	Confident	126 Å²	126	32.9 Å²	32.9	77%	0.773	17%	0.174	S	C	*	.	S	Bend	trans	-92	-13.6	179.8	53.4	0	0	0	0	113.6	N1108 P1126	N1108-T1110 PolarHBondContact O-N 3.47Å; T1110-P1126 VanDerWaalsContact O-CG 3.26Å; T1110-P1126 WeakPolarHBondContact O-CG 3.47Å
1111	Q	78.4	Confident	83.9	Confident	33 Å²	33	32.9 Å²	32.9	15%	0.154	17%	0.174	C	C	.	.	S	Bend	trans	-112.6	152.4	178.7	65.1	-169.2	4	0	0	111.8	V1088 M1109	V1088-Q1111 VanDerWaalsContact CG2-NE2 3.35Å; M1109-Q1111 HydrophobicContact CE-CG 4.22Å
1112	P	84.9	Confident	84.3	Confident	11 Å²	11	33.1 Å²	33.1	7%	0.071	18%	0.175	C	C	.	.			trans	-57	138.9	174.4	-24.8	35.9	0	0	0	112.1	A1087 V1088 Y1124 F1125 L1213 Y1218	A1087-P1112 WeakPolarHBondContact CA-O 3.14Å; A1087-P1112 HydrophobicContact CB-CB 4.07Å; V1088-P1112 PolarHBondContact N-O 3.13Å; V1088-P1112 VanDerWaalsContact N-O 3.14Å; P1112-Y1124 WeakPolarHBondContact CA-O 3.41Å; P1112-F1125 HydrophobicContact CB-CD1 4.03Å; P1112-F1125 HydrophobicContact CB-CE1 4.39Å; P1112-L1213 HydrophobicContact CB-CD1 3.88Å; P1112-L1213 HydrophobicContact CB-CD2 4.26Å; P1112-L1213 HydrophobicContact CG-CD1 4.08Å; P1112-L1213 HydrophobicContact CG-CD2 3.98Å; P1112-Y1218 WeakPolarHBondContact CG-OH 3.44Å
1113	F	87	Confident	84.6	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	135.3	-176.7	-156	-95.8	0	0	0	110.7	I1073 M1076 V1077 V1088 F1104 M1109 V1115 Y1124	I1073-F1113 HydrophobicContact CG2-CE1 3.93Å; I1073-F1113 HydrophobicContact CG2-CE2 4.38Å; I1073-F1113 HydrophobicContact CG2-CZ 3.78Å; M1076-F1113 HydrophobicContact CB-CZ 4.28Å; V1077-F1113 HydrophobicContact CG2-CD2 4.28Å; V1077-F1113 HydrophobicContact CG2-CE2 3.51Å; V1077-F1113 HydrophobicContact CG2-CZ 4.2Å; V1088-F1113 HydrophobicContact CB-CD2 3.46Å; V1088-F1113 VanDerWaalsContact CB-CD2 3.46Å; V1088-F1113 HydrophobicContact CB-CE2 3.38Å; V1088-F1113 HydrophobicContact CB-CZ 4.43Å; V1088-F1113 HydrophobicContact CG1-CD2 3.86Å; V1088-F1113 HydrophobicContact CG1-CE2 3.2Å; V1088-F1113 HydrophobicContact CG1-CZ 3.91Å; V1088-F1113 HydrophobicContact CG2-CD2 4.33Å; V1088-F1113 HydrophobicContact CG2-CE2 4.27Å; V1088-F1113 WeakPolarHBondContact O-CA 3.31Å; F1104-F1113 AromaticContact CE1-CD1 3.45Å; F1104-F1113 HydrophobicContact CE1-CD1 3.45Å; F1104-F1113 VanDerWaalsContact CE1-CD1 3.45Å; F1104-F1113 AromaticContact CE1-CE1 3.9Å; F1104-F1113 HydrophobicContact CE1-CE1 3.9Å; F1104-F1113 HydrophobicContact CE1-CG 4.26Å; F1104-F1113 AromaticContact CZ-CD1 3.86Å; F1104-F1113 HydrophobicContact CZ-CD1 3.86Å; F1104-F1113 HydrophobicContact CZ-CE1 4.18Å; M1109-F1113 HydrophobicContact CE-CD2 3.56Å; M1109-F1113 HydrophobicContact CE-CE2 3.95Å; M1109-F1113 HydrophobicContact CE-CG 4.35Å; F1113-V1115 HydrophobicContact CD1-CG1 3.79Å; F1113-V1115 HydrophobicContact CE1-CG1 3.29Å; F1113-V1115 HydrophobicContact CZ-CG1 4.36Å; F1113-Y1124 HydrophobicContact CB-CD1 4.38Å; F1113-Y1124 PolarHBondContact N-O 2.93Å; F1113-Y1124 PolarHBondContact O-N 3.42Å
1114	V	89.2	Confident	84.6	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	115.2	175.1	-174.6	0	0	0	0	109.9	V1088 I1089 S1090 A1121 I1122 C1123 L1205 V1209	V1088-V1114 PolarHBondContact O-N 2.94Å; I1089-V1114 WeakPolarHBondContact CA-O 3.44Å; I1089-V1114 HydrophobicContact CG1-CB 4.16Å; I1089-V1114 HydrophobicContact CG1-CG2 4.5Å; I1089-V1114 HydrophobicContact CG2-CB 4.42Å; S1090-V1114 PolarHBondContact N-O 2.84Å; V1114-A1121 HydrophobicContact CG1-CB 4.01Å; V1114-I1122 WeakPolarHBondContact CA-O 3.31Å; V1114-C1123 HydrophobicContact CG2-CB 4.26Å; V1114-L1205 HydrophobicContact CG1-CD2 4.19Å; V1114-V1209 HydrophobicContact CG2-CG1 4.21Å; V1114-V1209 HydrophobicContact CG2-CG2 4.18Å
1115	V	90.2	Very high	84.7	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	137.9	168.7	-68.7	0	0	0	0	110	S1090 L1092 F1094 L1100 F1104 F1113 A1121 I1122	S1090-V1115 WeakPolarHBondContact O-CA 3.36Å; L1092-V1115 HydrophobicContact CB-CB 4.04Å; L1092-V1115 HydrophobicContact CB-CG1 4.07Å; L1092-V1115 HydrophobicContact CD2-CB 4.36Å; L1092-V1115 HydrophobicContact CD2-CG1 4.06Å; F1094-V1115 HydrophobicContact CE1-CG2 4.25Å; L1100-V1115 HydrophobicContact CD2-CG2 4.18Å; F1104-V1115 HydrophobicContact CE2-CG2 3.73Å; F1104-V1115 HydrophobicContact CZ-CB 4.33Å; F1104-V1115 HydrophobicContact CZ-CG1 3.81Å; F1104-V1115 HydrophobicContact CZ-CG2 3.54Å; F1113-V1115 HydrophobicContact CD1-CG1 3.79Å; F1113-V1115 HydrophobicContact CE1-CG1 3.29Å; F1113-V1115 HydrophobicContact CZ-CG1 4.36Å; V1115-A1121 CarbonylContact O-C 3.49Å; V1115-A1121 WeakPolarHBondContact O-CA 3.11Å; V1115-I1122 HydrophobicContact CG2-CB 3.94Å; V1115-I1122 HydrophobicContact CG2-CD1 4.49Å; V1115-I1122 PolarHBondContact N-O 2.98Å; V1115-I1122 PolarHBondContact O-N 3.21Å
1116	Y	90.3	Very high	84.4	Confident	6 Å²	6	31 Å²	31	2%	0.024	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	142.9	173.8	71.7	-80.5	0	0	0	111.9	S1090 K1091 L1092 L1120 Y1201 H1202 L1205	S1090-Y1116 VanDerWaalsContact C-CE1 3.49Å; S1090-Y1116 VanDerWaalsContact O-CD1 3.31Å; S1090-Y1116 WeakPolarHBondContact O-CD1 3.32Å; S1090-Y1116 PolarHBondContact O-N 3.09Å; S1090-Y1116 VanDerWaalsContact O-N 3.08Å; K1091-Y1116 WeakPolarHBondContact CA-O 3.07Å; K1091-Y1116 HydrophobicContact CB-CE1 4.01Å; K1091-Y1116 HydrophobicContact CB-CE2 4.07Å; K1091-Y1116 HydrophobicContact CD-CE2 4.44Å; K1091-Y1116 HydrophobicContact CG-CE2 4.05Å; L1092-Y1116 PolarHBondContact N-O 3.28Å; Y1116-L1120 CarbonylContact C-O 3.45Å; Y1116-L1120 VanDerWaalsContact CA-O 3.27Å; Y1116-L1120 WeakPolarHBondContact CA-O 3.18Å; Y1116-L1120 WeakPolarHBondContact CB-O 3.39Å; Y1116-Y1201 AromaticContact CD2-CD1 3.93Å; Y1116-Y1201 HydrophobicContact CD2-CD1 3.93Å; Y1116-Y1201 AromaticContact CD2-CE1 3.64Å; Y1116-Y1201 HydrophobicContact CD2-CE1 3.64Å; Y1116-Y1201 AromaticContact CE2-CD1 3.9Å; Y1116-Y1201 HydrophobicContact CE2-CD1 3.9Å; Y1116-Y1201 HydrophobicContact CE2-CE1 4.09Å; Y1116-Y1201 HydrophobicContact CG-CE1 4.07Å; Y1116-H1202 AromaticContact CE1-ND1 3.32Å; Y1116-H1202 VanDerWaalsContact CE1-ND1 3.32Å; Y1116-H1202 WeakPolarHBondContact CE1-ND1 3.37Å; Y1116-H1202 AromaticContact CZ-ND1 3.48Å; Y1116-H1202 VanDerWaalsContact OH-CB 3.3Å; Y1116-H1202 WeakPolarHBondContact OH-CB 3.37Å; Y1116-H1202 PolarHBondContact OH-ND1 3.24Å; Y1116-L1205 HydrophobicContact CD1-CD2 3.95Å; Y1116-L1205 HydrophobicContact CG-CD2 4.19Å
1117	N	86.3	Confident	83.7	Confident	20 Å²	20	32.2 Å²	32.2	11%	0.107	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	112.1	166.7	-162.6	7.7	0	0	0	107.7	L1092 D1093 F1094 N1119 L1120	L1092-N1117 VanDerWaalsContact O-CB 3.27Å; L1092-N1117 WeakPolarHBondContact O-CB 3.48Å; D1093-N1117 PolarHBondContact OD1-ND2 3.41Å; F1094-N1117 HydrophobicContact CD1-CB 3.73Å; F1094-N1117 HydrophobicContact CD2-CB 4.44Å; F1094-N1117 HydrophobicContact CE1-CB 3.45Å; F1094-N1117 VanDerWaalsContact CE1-CB 3.45Å; F1094-N1117 HydrophobicContact CE2-CB 4.2Å; F1094-N1117 HydrophobicContact CG-CB 4.21Å; F1094-N1117 HydrophobicContact CZ-CB 3.7Å; F1094-N1117 PolarHBondContact N-ND2 3.27Å; F1094-N1117 VanDerWaalsContact N-ND2 3.11Å; F1094-N1117 PolarHBondContact O-ND2 2.88Å; N1117-N1119 PolarHBondContact O-N 2.77Å; N1117-L1120 CarbonylContact C-O 3.56Å; N1117-L1120 PolarHBondContact N-O 3.5Å; N1117-L1120 PolarHBondContact O-N 3.48Å
1118	I	82.4	Confident	82.6	Confident	51 Å²	51	32 Å²	32	26%	0.262	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	-114	175.5	-56.3	165.5	0	0	0	110.5	Q1193 W1198	I1118-Q1193 HydrophobicContact CG2-CB 4.46Å; I1118-Q1193 VanDerWaalsContact CG2-CD 3.49Å; I1118-Q1193 HydrophobicContact CG2-CG 3.43Å; I1118-Q1193 VanDerWaalsContact CG2-CG 3.43Å; I1118-W1198 VanDerWaalsContact C-CZ3 3.5Å; I1118-W1198 VanDerWaalsContact CA-CH2 3.41Å; I1118-W1198 HydrophobicContact CB-CH2 4.18Å; I1118-W1198 HydrophobicContact CB-CZ2 4.22Å; I1118-W1198 HydrophobicContact CG2-CH2 3.74Å; I1118-W1198 HydrophobicContact CG2-CZ2 3.64Å; I1118-W1198 WeakPolarHBondContact O-CH2 3.24Å; I1118-W1198 WeakPolarHBondContact O-CZ3 3.2Å
1119	N	83.5	Confident	81.6	Confident	29 Å²	29	34.1 Å²	34.1	16%	0.155	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	2.2	-173.5	67.6	-49.8	0	0	0	113.8	N1117 Q1178 L1179 M1192	N1117-N1119 PolarHBondContact O-N 2.77Å; N1119-Q1178 WeakPolarHBondContact O-CA 3.42Å; N1119-L1179 HydrophobicContact CB-CB 4.22Å; N1119-L1179 PolarHBondContact O-N 2.99Å; N1119-M1192 HydrophobicContact CB-CE 3.63Å
1120	L	87.4	Confident	80.9	Confident	58 Å²	58	35.6 Å²	35.6	30%	0.304	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	135.6	179.5	-67.9	172.4	0	0	0	110.3	F1094 Y1116 N1117 F1176 L1177 Q1178	F1094-L1120 HydrophobicContact CE2-CB 4.49Å; F1094-L1120 HydrophobicContact CZ-CB 4.21Å; Y1116-L1120 CarbonylContact C-O 3.45Å; Y1116-L1120 VanDerWaalsContact CA-O 3.27Å; Y1116-L1120 WeakPolarHBondContact CA-O 3.18Å; Y1116-L1120 WeakPolarHBondContact CB-O 3.39Å; N1117-L1120 CarbonylContact C-O 3.56Å; N1117-L1120 PolarHBondContact N-O 3.5Å; N1117-L1120 PolarHBondContact O-N 3.48Å; L1120-F1176 HydrophobicContact CD2-CD2 4Å; L1120-F1176 HydrophobicContact CD2-CE2 4.15Å; L1120-L1177 WeakPolarHBondContact CA-O 3.26Å; L1120-Q1178 HydrophobicContact CD2-CB 4.07Å; L1120-Q1178 HydrophobicContact CD2-CG 3.92Å
1121	A	89.5	Confident	80.3	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	135.4	166.4	0	0	0	0	0	110.3	V1114 V1115 F1176 L1177 L1205	V1114-A1121 HydrophobicContact CG1-CB 4.01Å; V1115-A1121 CarbonylContact O-C 3.49Å; V1115-A1121 WeakPolarHBondContact O-CA 3.11Å; A1121-F1176 CarbonylContact O-C 3.53Å; A1121-F1176 WeakPolarHBondContact O-CA 3.4Å; A1121-F1176 WeakPolarHBondContact O-CB 3.26Å; A1121-L1177 HydrophobicContact CB-CB 4.16Å; A1121-L1177 HydrophobicContact CB-CD1 4.45Å; A1121-L1177 PolarHBondContact N-O 3.09Å; A1121-L1177 PolarHBondContact O-N 3.48Å; A1121-L1205 HydrophobicContact CB-CD2 4.45Å
1122	I	89.8	Confident	79.6	Confident	4 Å²	4	38.9 Å²	38.9	2%	0.021	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	124.8	174.2	-61.6	166.8	0	0	0	107.1	F1094 L1097 L1100 F1104 V1114 V1115 L1161	F1094-I1122 HydrophobicContact CE1-CD1 4.43Å; F1094-I1122 HydrophobicContact CE2-CD1 4.11Å; F1094-I1122 HydrophobicContact CZ-CD1 4.04Å; F1094-I1122 HydrophobicContact CZ-CG1 4.29Å; L1097-I1122 HydrophobicContact CD1-CD1 3.39Å; L1097-I1122 HydrophobicContact CD1-CG1 4.29Å; L1100-I1122 HydrophobicContact CD2-CD1 3.5Å; L1100-I1122 HydrophobicContact CG-CD1 4.35Å; F1104-I1122 HydrophobicContact CE2-CG2 4.31Å; V1114-I1122 WeakPolarHBondContact CA-O 3.31Å; V1115-I1122 HydrophobicContact CG2-CB 3.94Å; V1115-I1122 HydrophobicContact CG2-CD1 4.49Å; V1115-I1122 PolarHBondContact N-O 2.98Å; V1115-I1122 PolarHBondContact O-N 3.21Å; I1122-L1161 HydrophobicContact CG2-CD2 4.17Å
1123	C	88.6	Confident	79.2	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	130.2	179.9	-54.3	0	0	0	0	109.5	V1114 F1125 Y1174 A1175	V1114-C1123 HydrophobicContact CG2-CB 4.26Å; C1123-F1125 HydrophobicContact CB-CD2 4.27Å; C1123-F1125 HydrophobicContact CB-CE2 3.44Å; C1123-F1125 VanDerWaalsContact CB-CE2 3.44Å; C1123-F1125 HydrophobicContact CB-CZ 3.82Å; C1123-Y1174 WeakPolarHBondContact O-CA 3.42Å; C1123-A1175 PolarHBondContact N-O 2.88Å; C1123-A1175 PolarHBondContact O-N 2.91Å
1124	Y	87	Confident	78.9	Confident	5 Å²	5	38.4 Å²	38.4	2%	0.02	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	125.9	173.2	170.2	-106.8	0	0	0	109.8	M1109 P1112 F1113 P1126 K1173 Y1174	M1109-Y1124 HydrophobicContact CB-CD1 4.17Å; M1109-Y1124 HydrophobicContact CB-CE1 3.67Å; M1109-Y1124 WeakPolarHBondContact O-CE1 3.34Å; M1109-Y1124 PolarHBondContact O-OH 3.23Å; P1112-Y1124 WeakPolarHBondContact CA-O 3.41Å; F1113-Y1124 HydrophobicContact CB-CD1 4.38Å; F1113-Y1124 PolarHBondContact N-O 2.93Å; F1113-Y1124 PolarHBondContact O-N 3.42Å; Y1124-P1126 HydrophobicContact CE1-CB 3.83Å; Y1124-P1126 HydrophobicContact CE1-CG 4.07Å; Y1124-K1173 WeakPolarHBondContact CA-O 3.39Å; Y1124-K1173 HydrophobicContact CD2-CB 4.1Å; Y1124-K1173 HydrophobicContact CE2-CB 3.88Å; Y1124-K1173 HydrophobicContact CE2-CD 4.18Å; Y1124-Y1174 AromaticContact CD2-CD1 3.68Å; Y1124-Y1174 HydrophobicContact CD2-CD1 3.68Å; Y1124-Y1174 HydrophobicContact CD2-CD2 4.34Å; Y1124-Y1174 AromaticContact CD2-CE1 3.19Å; Y1124-Y1174 HydrophobicContact CD2-CE1 3.19Å; Y1124-Y1174 AromaticContact CD2-CE2 3.93Å; Y1124-Y1174 HydrophobicContact CD2-CE2 3.93Å; Y1124-Y1174 HydrophobicContact CD2-CG 4.23Å; Y1124-Y1174 AromaticContact CD2-CZ 3.34Å; Y1124-Y1174 AromaticContact CE2-CE1 3.92Å; Y1124-Y1174 HydrophobicContact CE2-CE1 3.92Å; Y1124-Y1174 HydrophobicContact CE2-CE2 4.02Å; Y1124-Y1174 AromaticContact CE2-CZ 3.55Å; Y1124-Y1174 WeakPolarHBondContact CE2-OH 3.21Å; Y1124-Y1174 HydrophobicContact CG-CD1 4.28Å; Y1124-Y1174 AromaticContact CG-CE1 3.86Å; Y1124-Y1174 HydrophobicContact CG-CE1 3.86Å
1125	F	85.1	Confident	78.6	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.205	C	C	.	.			trans	-124.8	104.4	179.2	-59.3	-74.5	0	0	0	109.3	P1112 C1123 K1127 A1134 L1137 I1141 K1173 L1213 Y1218	P1112-F1125 HydrophobicContact CB-CD1 4.03Å; P1112-F1125 HydrophobicContact CB-CE1 4.39Å; C1123-F1125 HydrophobicContact CB-CD2 4.27Å; C1123-F1125 HydrophobicContact CB-CE2 3.44Å; C1123-F1125 VanDerWaalsContact CB-CE2 3.44Å; C1123-F1125 HydrophobicContact CB-CZ 3.82Å; F1125-K1127 VanDerWaalsContact C-N 3.33Å; F1125-K1127 PolarHBondContact O-N 2.89Å; F1125-A1134 HydrophobicContact CB-CB 4.47Å; F1125-A1134 HydrophobicContact CD2-CB 3.78Å; F1125-L1137 HydrophobicContact CB-CD1 4.04Å; F1125-L1137 HydrophobicContact CD1-CD1 3.81Å; F1125-L1137 HydrophobicContact CD2-CB 4.17Å; F1125-L1137 HydrophobicContact CD2-CD1 3.97Å; F1125-L1137 HydrophobicContact CE1-CB 4.5Å; F1125-L1137 HydrophobicContact CE1-CD1 4.27Å; F1125-L1137 HydrophobicContact CE2-CB 3.85Å; F1125-L1137 HydrophobicContact CE2-CD1 4.37Å; F1125-L1137 HydrophobicContact CG-CD1 3.66Å; F1125-L1137 HydrophobicContact CZ-CB 4.05Å; F1125-I1141 HydrophobicContact CE1-CD1 4.4Å; F1125-I1141 HydrophobicContact CZ-CD1 3.63Å; F1125-K1173 PolarHBondContact N-O 2.87Å; F1125-L1213 HydrophobicContact CD1-CD2 4.19Å; F1125-L1213 HydrophobicContact CE1-CD2 4.09Å; F1125-Y1218 HydrophobicContact CD1-CE2 4.36Å
1126	P	75.9	Confident	78.4	Confident	27 Å²	27	42.9 Å²	42.9	18%	0.175	22%	0.22	C	C	.	.	S	Bend	trans	-70.7	-25	-172	22.8	-30.7	0	0	0	113.9	T1110 Y1124 S1128	T1110-P1126 VanDerWaalsContact O-CG 3.26Å; T1110-P1126 WeakPolarHBondContact O-CG 3.47Å; Y1124-P1126 HydrophobicContact CE1-CB 3.83Å; Y1124-P1126 HydrophobicContact CE1-CG 4.07Å; P1126-S1128 PolarHBondContact O-N 3.48Å
1127	K	69.9	Low	78.2	Confident	135 Å²	135	42.7 Å²	42.7	59%	0.587	22%	0.219	S	C	*	.			trans	-93	89.5	177.5	-64.6	-176.2	-179.5	179.6	0	109.7	F1125	F1125-K1127 VanDerWaalsContact C-N 3.33Å; F1125-K1127 PolarHBondContact O-N 2.89Å
1128	S	59.9	Low	78.2	Confident	30 Å²	30	41.7 Å²	41.7	21%	0.21	21%	0.214	C	C	.	.			trans	-120.5	108.1	173.1	62.9	0	0	0	0	110.6	P1126 K1173	P1126-S1128 PolarHBondContact O-N 3.48Å; S1128-K1173 WeakPolarHBondContact OG-CG 3.42Å
1129	H	57.1	Low	78.6	Confident	160 Å²	160	43.6 Å²	43.6	74%	0.741	22%	0.221	S	C	*	.			trans	-93.9	-3	176	-60.9	-64.2	0	0	0	113.3
1130	S	61.6	Low	78.8	Confident	52 Å²	52	45 Å²	45	36%	0.364	23%	0.228	S	C	.	.	S	Bend	trans	-136.3	155.7	-178.9	81.5	0	0	0	0	112.7	Q1132 T1133	S1130-Q1132 PolarHBondContact O-N 3.29Å; S1130-T1133 PolarHBondContact N-OG1 3.41Å; S1130-T1133 PolarHBondContact O-N 3.32Å; S1130-T1133 PolarHBondContact O-OG1 3.01Å; S1130-T1133 PolarHBondContact OG-OG1 3.35Å
1131	N	61.9	Low	78.9	Confident	113 Å²	113	42.2 Å²	42.2	60%	0.604	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	8.2	-179.2	-65.9	-12.5	0	0	0	115	Y1172	N1131-Y1172 HydrophobicContact CB-CD1 4.28Å; N1131-Y1172 HydrophobicContact CB-CD2 4.49Å; N1131-Y1172 HydrophobicContact CB-CE1 3.87Å; N1131-Y1172 HydrophobicContact CB-CE2 4.11Å; N1131-Y1172 WeakPolarHBondContact O-CD1 3.38Å; N1131-Y1172 WeakPolarHBondContact O-CE1 3.42Å
1132	Q	64.7	Low	78.9	Confident	116 Å²	116	42.4 Å²	42.4	54%	0.542	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-145.7	12.5	179.3	-64.1	-176.8	0.9	0	0	114	S1130 A1134 L1135 N1136	S1130-Q1132 PolarHBondContact O-N 3.29Å; Q1132-A1134 PolarHBondContact O-N 2.84Å; Q1132-L1135 PolarHBondContact O-N 2.97Å; Q1132-N1136 WeakPolarHBondContact O-CB 3.29Å; Q1132-N1136 VanDerWaalsContact O-CG 3.28Å; Q1132-N1136 PolarHBondContact O-N 2.96Å; Q1132-N1136 PolarHBondContact O-ND2 3.02Å
1133	T	75	Confident	78.8	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.006	25%	0.247	C	C	.	.	H	α-helix	trans	-58.4	-51.7	-169.4	-56.2	0	0	0	0	113.3	S1130 L1135 N1136 L1137	S1130-T1133 PolarHBondContact N-OG1 3.41Å; S1130-T1133 PolarHBondContact O-N 3.32Å; S1130-T1133 PolarHBondContact O-OG1 3.01Å; S1130-T1133 PolarHBondContact OG-OG1 3.35Å; T1133-L1135 PolarHBondContact O-N 3.48Å; T1133-N1136 PolarHBondContact O-N 3.35Å; T1133-L1137 HydrophobicContact CG2-CD1 4.06Å; T1133-L1137 WeakPolarHBondContact O-CG 3.38Å; T1133-L1137 PolarHBondContact O-N 3.45Å
1134	A	81.5	Confident	78.8	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64	-37.6	-179.3	0	0	0	0	0	113.7	F1125 Q1132 L1137 A1138 Y1172 K1173 A1175	F1125-A1134 HydrophobicContact CB-CB 4.47Å; F1125-A1134 HydrophobicContact CD2-CB 3.78Å; Q1132-A1134 PolarHBondContact O-N 2.84Å; A1134-L1137 PolarHBondContact O-N 3.13Å; A1134-A1138 WeakPolarHBondContact O-CB 3.37Å; A1134-A1138 PolarHBondContact O-N 3.12Å; A1134-Y1172 WeakPolarHBondContact CB-O 3.5Å; A1134-Y1172 PolarHBondContact N-O 2.62Å; A1134-Y1172 VanDerWaalsContact N-O 3.13Å; A1134-K1173 WeakPolarHBondContact CB-O 3.17Å; A1134-A1175 HydrophobicContact CB-CB 4.33Å
1135	L	83.9	Confident	78.9	Confident	36 Å²	36	52.7 Å²	52.7	19%	0.188	26%	0.262	C	S	.	.	H	α-helix	trans	-66.6	-42.6	178	179.4	58.6	0	0	0	111.4	Q1132 T1133 L1137 A1138 H1139 R1159 P1160	Q1132-L1135 PolarHBondContact O-N 2.97Å; T1133-L1135 PolarHBondContact O-N 3.48Å; L1135-L1137 VanDerWaalsContact C-N 3.34Å; L1135-L1137 PolarHBondContact O-N 3.15Å; L1135-A1138 PolarHBondContact O-N 3.28Å; L1135-H1139 PolarHBondContact O-N 2.63Å; L1135-R1159 VanDerWaalsContact CD1-C 3.48Å; L1135-P1160 HydrophobicContact CD2-CB 4.35Å
1136	N	84.4	Confident	79	Confident	58 Å²	58	53.8 Å²	53.8	31%	0.31	27%	0.27	S	S	.	.	H	α-helix	trans	-62.8	-42.6	177.1	-71.4	-20.7	0	0	0	111.2	Q1132 T1133 H1139 M1140	Q1132-N1136 WeakPolarHBondContact O-CB 3.29Å; Q1132-N1136 VanDerWaalsContact O-CG 3.28Å; Q1132-N1136 PolarHBondContact O-N 2.96Å; Q1132-N1136 PolarHBondContact O-ND2 3.02Å; T1133-N1136 PolarHBondContact O-N 3.35Å; N1136-H1139 PolarHBondContact O-N 2.89Å; N1136-M1140 HydrophobicContact CB-CE 4.15Å; N1136-M1140 WeakPolarHBondContact O-CE 3.43Å; N1136-M1140 WeakPolarHBondContact O-CG 3.45Å; N1136-M1140 PolarHBondContact O-N 3.4Å
1137	L	86	Confident	79.4	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-62.8	-44.3	174.6	-66.9	170.4	0	0	0	111.7	F1125 T1133 A1134 L1135 H1139 M1140 I1141 I1212 Y1218	F1125-L1137 HydrophobicContact CB-CD1 4.04Å; F1125-L1137 HydrophobicContact CD1-CD1 3.81Å; F1125-L1137 HydrophobicContact CD2-CB 4.17Å; F1125-L1137 HydrophobicContact CD2-CD1 3.97Å; F1125-L1137 HydrophobicContact CE1-CB 4.5Å; F1125-L1137 HydrophobicContact CE1-CD1 4.27Å; F1125-L1137 HydrophobicContact CE2-CB 3.85Å; F1125-L1137 HydrophobicContact CE2-CD1 4.37Å; F1125-L1137 HydrophobicContact CG-CD1 3.66Å; F1125-L1137 HydrophobicContact CZ-CB 4.05Å; T1133-L1137 HydrophobicContact CG2-CD1 4.06Å; T1133-L1137 WeakPolarHBondContact O-CG 3.38Å; T1133-L1137 PolarHBondContact O-N 3.45Å; A1134-L1137 PolarHBondContact O-N 3.13Å; L1135-L1137 VanDerWaalsContact C-N 3.34Å; L1135-L1137 PolarHBondContact O-N 3.15Å; L1137-H1139 VanDerWaalsContact C-N 3.33Å; L1137-H1139 PolarHBondContact O-N 2.83Å; L1137-M1140 HydrophobicContact CD2-CE 4.06Å; L1137-M1140 PolarHBondContact O-N 3.21Å; L1137-M1140 VanDerWaalsContact O-N 3.15Å; L1137-I1141 VanDerWaalsContact O-CG1 3.3Å; L1137-I1141 WeakPolarHBondContact O-CG1 3.31Å; L1137-I1141 PolarHBondContact O-N 2.98Å; L1137-I1212 HydrophobicContact CD2-CG2 3.68Å; L1137-Y1218 HydrophobicContact CD1-CD2 3.74Å; L1137-Y1218 HydrophobicContact CD1-CE2 3.59Å; L1137-Y1218 HydrophobicContact CD2-CD2 3.85Å; L1137-Y1218 HydrophobicContact CG-CD2 4.47Å
1138	A	88	Confident	80	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61.3	-39.2	175	0	0	0	0	0	112.2	A1134 L1135 I1141 A1142 A1175 L1177	A1134-A1138 WeakPolarHBondContact O-CB 3.37Å; A1134-A1138 PolarHBondContact O-N 3.12Å; L1135-A1138 PolarHBondContact O-N 3.28Å; A1138-I1141 PolarHBondContact O-N 2.77Å; A1138-A1142 WeakPolarHBondContact O-CB 3.49Å; A1138-A1142 PolarHBondContact O-N 2.93Å; A1138-A1175 HydrophobicContact CB-CB 3.6Å; A1138-L1177 HydrophobicContact CB-CD2 4.07Å; A1138-L1177 WeakPolarHBondContact O-CD2 3.38Å
1139	H	88.8	Confident	80.9	Confident	90 Å²	90	52.7 Å²	52.7	42%	0.417	27%	0.268	S	S	.	.	H	α-helix	trans	-62.9	-41.1	173.3	-71.7	154.1	0	0	0	112.4	L1135 N1136 L1137 A1142 K1143 G1158	L1135-H1139 PolarHBondContact O-N 2.63Å; N1136-H1139 PolarHBondContact O-N 2.89Å; L1137-H1139 VanDerWaalsContact C-N 3.33Å; L1137-H1139 PolarHBondContact O-N 2.83Å; H1139-A1142 PolarHBondContact O-N 3.39Å; H1139-K1143 WeakPolarHBondContact O-CB 3.39Å; H1139-K1143 PolarHBondContact O-N 2.96Å; H1139-G1158 PolarHBondContact CD2-O 3.26Å; H1139-G1158 PolarHBondContact NE2-O 3.47Å
1140	M	88.4	Confident	81.5	Confident	59 Å²	59	46.8 Å²	46.8	29%	0.291	25%	0.251	S	S	.	.	H	α-helix	trans	-65.3	-46.4	177.2	-71.1	-177	-107	0	0	111.8	N1136 L1137 A1142 K1143 L1144 I1212 V1217	N1136-M1140 HydrophobicContact CB-CE 4.15Å; N1136-M1140 WeakPolarHBondContact O-CE 3.43Å; N1136-M1140 WeakPolarHBondContact O-CG 3.45Å; N1136-M1140 PolarHBondContact O-N 3.4Å; L1137-M1140 HydrophobicContact CD2-CE 4.06Å; L1137-M1140 PolarHBondContact O-N 3.21Å; L1137-M1140 VanDerWaalsContact O-N 3.15Å; M1140-A1142 VanDerWaalsContact C-N 3.35Å; M1140-A1142 PolarHBondContact O-N 3.24Å; M1140-K1143 PolarHBondContact O-N 3.41Å; M1140-L1144 PolarHBondContact O-N 2.99Å; M1140-L1144 VanDerWaalsContact O-N 3.12Å; M1140-I1212 HydrophobicContact CB-CD1 3.81Å; M1140-I1212 HydrophobicContact CB-CG1 4.27Å; M1140-V1217 HydrophobicContact CE-CG1 4.14Å; M1140-V1217 HydrophobicContact SD-CG1 4.04Å
1141	I	90.3	Very high	82	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-59.8	-47.6	175	-65.1	160.3	0	0	0	109.8	F1125 L1137 A1138 K1143 L1144 L1145 L1177 L1205 C1208 V1209 I1212	F1125-I1141 HydrophobicContact CE1-CD1 4.4Å; F1125-I1141 HydrophobicContact CZ-CD1 3.63Å; L1137-I1141 VanDerWaalsContact O-CG1 3.3Å; L1137-I1141 WeakPolarHBondContact O-CG1 3.31Å; L1137-I1141 PolarHBondContact O-N 2.98Å; A1138-I1141 PolarHBondContact O-N 2.77Å; I1141-K1143 VanDerWaalsContact C-N 3.27Å; I1141-K1143 PolarHBondContact O-N 3.41Å; I1141-L1144 PolarHBondContact O-N 2.69Å; I1141-L1145 WeakPolarHBondContact O-CB 3.26Å; I1141-L1145 PolarHBondContact O-N 3.46Å; I1141-L1177 HydrophobicContact CB-CD1 4.42Å; I1141-L1177 HydrophobicContact CB-CD2 4.48Å; I1141-L1177 HydrophobicContact CG2-CD1 3.68Å; I1141-L1177 HydrophobicContact CG2-CD2 4.43Å; I1141-L1205 HydrophobicContact CG2-CD1 4.37Å; I1141-C1208 HydrophobicContact CG2-CB 4.32Å; I1141-V1209 HydrophobicContact CD1-CG2 4.06Å; I1141-V1209 HydrophobicContact CG1-CG2 4.43Å; I1141-V1209 HydrophobicContact CG2-CG2 4.01Å; I1141-I1212 HydrophobicContact CG1-CB 4.16Å; I1141-I1212 HydrophobicContact CG1-CG1 3.88Å; I1141-I1212 HydrophobicContact CG1-CG2 4.4Å
1142	A	89.5	Confident	82.3	Confident	4 Å²	4	51.2 Å²	51.2	3%	0.033	26%	0.261	C	S	.	.	H	α-helix	trans	-58.2	-37.6	178.3	0	0	0	0	0	112.6	A1138 H1139 M1140 S1146 A1156 L1177	A1138-A1142 WeakPolarHBondContact O-CB 3.49Å; A1138-A1142 PolarHBondContact O-N 2.93Å; H1139-A1142 PolarHBondContact O-N 3.39Å; M1140-A1142 VanDerWaalsContact C-N 3.35Å; M1140-A1142 PolarHBondContact O-N 3.24Å; A1142-S1146 WeakPolarHBondContact O-CB 3.19Å; A1142-S1146 PolarHBondContact O-N 3.1Å; A1142-S1146 PolarHBondContact O-OG 3.43Å; A1142-A1156 HydrophobicContact CB-CB 4.06Å; A1142-L1177 HydrophobicContact CB-CD2 3.8Å
1143	K	88.1	Confident	82.9	Confident	159 Å²	159	50.3 Å²	50.3	69%	0.691	26%	0.256	S	S	*	.	H	α-helix	trans	-67.4	-46.9	177.4	-174.4	178.2	178.4	-178.6	0	112	H1139 M1140 I1141 S1146 T1147	H1139-K1143 WeakPolarHBondContact O-CB 3.39Å; H1139-K1143 PolarHBondContact O-N 2.96Å; M1140-K1143 PolarHBondContact O-N 3.41Å; I1141-K1143 VanDerWaalsContact C-N 3.27Å; I1141-K1143 PolarHBondContact O-N 3.41Å; K1143-S1146 PolarHBondContact O-N 3.08Å; K1143-T1147 PolarHBondContact O-N 3.13Å; K1143-T1147 VanDerWaalsContact O-N 3.1Å; K1143-T1147 PolarHBondContact O-OG1 2.92Å
1144	L	88.4	Confident	83.1	Confident	65 Å²	65	50.3 Å²	50.3	34%	0.34	26%	0.256	S	S	.	.	H	α-helix	trans	-62.3	-47.7	175.4	-70.7	179.9	0	0	0	110.9	M1140 I1141 S1146 T1147 E1148 C1208 I1212	M1140-L1144 PolarHBondContact O-N 2.99Å; M1140-L1144 VanDerWaalsContact O-N 3.12Å; I1141-L1144 PolarHBondContact O-N 2.69Å; L1144-S1146 VanDerWaalsContact C-N 3.33Å; L1144-S1146 PolarHBondContact O-N 2.84Å; L1144-T1147 WeakPolarHBondContact O-CB 3.37Å; L1144-T1147 PolarHBondContact O-N 3.15Å; L1144-T1147 VanDerWaalsContact O-N 3.08Å; L1144-E1148 PolarHBondContact O-N 3.21Å; L1144-C1208 HydrophobicContact CB-CB 4.24Å; L1144-I1212 HydrophobicContact CD1-CD1 3.49Å; L1144-I1212 VanDerWaalsContact CD1-CD1 3.49Å; L1144-I1212 HydrophobicContact CD1-CG1 3.73Å; L1144-I1212 HydrophobicContact CG-CD1 4.38Å
1145	L	88.7	Confident	83.3	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-60.6	-43.3	-179.9	-167.5	61.5	0	0	0	110.9	I1141 T1147 E1148 L1149 A1156 L1179 Y1201 L1204 L1205	I1141-L1145 WeakPolarHBondContact O-CB 3.26Å; I1141-L1145 PolarHBondContact O-N 3.46Å; L1145-T1147 VanDerWaalsContact C-N 3.31Å; L1145-T1147 PolarHBondContact O-N 2.89Å; L1145-E1148 PolarHBondContact O-N 3.38Å; L1145-L1149 HydrophobicContact CD1-CD1 4.12Å; L1145-L1149 HydrophobicContact CD1-CG 4.28Å; L1145-L1149 HydrophobicContact CD2-CD1 4.4Å; L1145-L1149 HydrophobicContact CG-CD1 3.7Å; L1145-L1149 HydrophobicContact CG-CG 4.24Å; L1145-L1149 WeakPolarHBondContact O-CB 3.47Å; L1145-L1149 WeakPolarHBondContact O-CG 3.47Å; L1145-L1149 PolarHBondContact O-N 3.09Å; L1145-A1156 HydrophobicContact CB-CB 4.09Å; L1145-A1156 HydrophobicContact CD2-CB 3.73Å; L1145-A1156 HydrophobicContact CG-CB 4.07Å; L1145-L1179 HydrophobicContact CD2-CD2 4.16Å; L1145-Y1201 HydrophobicContact CD1-CE2 4.29Å; L1145-Y1201 HydrophobicContact CD2-CE2 4.07Å; L1145-L1204 HydrophobicContact CD1-CB 4.46Å; L1145-L1204 HydrophobicContact CD1-CD2 3.77Å; L1145-L1204 HydrophobicContact CD1-CG 3.75Å; L1145-L1205 HydrophobicContact CD2-CD1 3.95Å
1146	S	87.1	Confident	83.6	Confident	24 Å²	24	50.9 Å²	50.9	17%	0.168	26%	0.262	C	S	.	.	H	α-helix	trans	-64.3	-31.9	175.3	-61.8	0	0	0	0	113.5	A1142 K1143 L1144 G1150 A1156	A1142-S1146 WeakPolarHBondContact O-CB 3.19Å; A1142-S1146 PolarHBondContact O-N 3.1Å; A1142-S1146 PolarHBondContact O-OG 3.43Å; K1143-S1146 PolarHBondContact O-N 3.08Å; L1144-S1146 VanDerWaalsContact C-N 3.33Å; L1144-S1146 PolarHBondContact O-N 2.84Å; S1146-G1150 WeakPolarHBondContact O-CA 3.37Å; S1146-G1150 PolarHBondContact O-N 3.39Å; S1146-A1156 PolarHBondContact OG-N 3.2Å; S1146-A1156 PolarHBondContact OG-O 3.38Å; S1146-A1156 VanDerWaalsContact OG-O 3.08Å
1147	T	85	Confident	83.8	Confident	99 Å²	99	53.7 Å²	53.7	61%	0.607	27%	0.272	S	S	*	.	H	α-helix	trans	-67.9	-42.2	179.3	-55.4	0	0	0	0	110.4	K1143 L1144 L1145	K1143-T1147 PolarHBondContact O-N 3.13Å; K1143-T1147 VanDerWaalsContact O-N 3.1Å; K1143-T1147 PolarHBondContact O-OG1 2.92Å; L1144-T1147 WeakPolarHBondContact O-CB 3.37Å; L1144-T1147 PolarHBondContact O-N 3.15Å; L1144-T1147 VanDerWaalsContact O-N 3.08Å; L1145-T1147 VanDerWaalsContact C-N 3.31Å; L1145-T1147 PolarHBondContact O-N 2.89Å
1148	E	80.7	Confident	83.8	Confident	67 Å²	67	54 Å²	54	31%	0.313	27%	0.274	S	S	.	.	H	α-helix	trans	-78	-40.3	179.6	-65	-78.3	-161.1	0	0	111.7	L1144 L1145 G1150 K1151 L1204 K1207	L1144-E1148 PolarHBondContact O-N 3.21Å; L1145-E1148 PolarHBondContact O-N 3.38Å; E1148-G1150 VanDerWaalsContact C-N 3.28Å; E1148-G1150 PolarHBondContact O-N 3.11Å; E1148-K1151 IonicContact OE2-NZ 3.78Å; E1148-L1204 HydrophobicContact CB-CD1 3.54Å; E1148-L1204 HydrophobicContact CB-CD2 3.82Å; E1148-L1204 HydrophobicContact CB-CG 4.2Å; E1148-L1204 HydrophobicContact CG-CD1 3.83Å; E1148-K1207 IonicContact OE1-NZ 2.83Å; E1148-K1207 PolarHBondContact OE1-NZ 3.31Å
1149	L	80.1	Confident	83.6	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.01	30%	0.296	C	S	.	.	H	α-helix	trans	-73.1	-16.2	175.6	-73.2	-177.7	0	0	0	113.9	L1145 K1151 M1152 H1153 L1154 L1179 Y1201 L1204	L1145-L1149 HydrophobicContact CD1-CD1 4.12Å; L1145-L1149 HydrophobicContact CD1-CG 4.28Å; L1145-L1149 HydrophobicContact CD2-CD1 4.4Å; L1145-L1149 HydrophobicContact CG-CD1 3.7Å; L1145-L1149 HydrophobicContact CG-CG 4.24Å; L1145-L1149 WeakPolarHBondContact O-CB 3.47Å; L1145-L1149 WeakPolarHBondContact O-CG 3.47Å; L1145-L1149 PolarHBondContact O-N 3.09Å; L1149-K1151 PolarHBondContact O-N 3.35Å; L1149-M1152 HydrophobicContact CD2-SD 4.28Å; L1149-M1152 CarbonylContact O-C 3.58Å; L1149-M1152 WeakPolarHBondContact O-CA 3.4Å; L1149-M1152 WeakPolarHBondContact O-CB 3.35Å; L1149-M1152 PolarHBondContact O-N 2.97Å; L1149-H1153 PolarHBondContact O-N 3.13Å; L1149-L1154 CarbonylContact C-O 3.54Å; L1149-L1154 HydrophobicContact CB-CB 4.06Å; L1149-L1154 HydrophobicContact CD1-CB 4.34Å; L1149-L1154 HydrophobicContact CD2-CD1 4.4Å; L1149-L1154 PolarHBondContact O-N 2.87Å; L1149-L1179 HydrophobicContact CD1-CD2 3.56Å; L1149-Y1201 HydrophobicContact CD1-CE2 4.5Å; L1149-L1204 HydrophobicContact CD2-CD2 3.58Å; L1149-L1204 HydrophobicContact CG-CD2 3.73Å
1150	G	70.1	Confident	83.2	Confident	37 Å²	37	58.4 Å²	58.4	38%	0.381	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-58.2	-29.7	177	0	0	0	0	0	112.4	S1146 E1148 M1152 H1153	S1146-G1150 WeakPolarHBondContact O-CA 3.37Å; S1146-G1150 PolarHBondContact O-N 3.39Å; E1148-G1150 VanDerWaalsContact C-N 3.28Å; E1148-G1150 PolarHBondContact O-N 3.11Å; G1150-M1152 PolarHBondContact O-N 3.41Å; G1150-H1153 PolarHBondContact O-N 3.42Å
1151	K	70.5	Confident	82.9	Confident	169 Å²	169	56 Å²	56	74%	0.735	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-64.2	-20.1	172	-63	174.2	-175.8	161.9	0	113.2	E1148 L1149	E1148-K1151 IonicContact OE2-NZ 3.78Å; L1149-K1151 PolarHBondContact O-N 3.35Å
1152	M	69.2	Low	81.9	Confident	89 Å²	89	66.6 Å²	66.6	44%	0.438	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-109.2	13.8	-179.4	-54	-176.9	92.6	0	0	112.8	L1149 G1150 L1154	L1149-M1152 HydrophobicContact CD2-SD 4.28Å; L1149-M1152 CarbonylContact O-C 3.58Å; L1149-M1152 WeakPolarHBondContact O-CA 3.4Å; L1149-M1152 WeakPolarHBondContact O-CB 3.35Å; L1149-M1152 PolarHBondContact O-N 2.97Å; G1150-M1152 PolarHBondContact O-N 3.41Å; M1152-L1154 VanDerWaalsContact C-N 3.34Å; M1152-L1154 HydrophobicContact CB-CD1 4.26Å; M1152-L1154 PolarHBondContact O-N 2.88Å
1153	H	77.2	Confident	81.2	Confident	96 Å²	96	66.7 Å²	66.7	44%	0.444	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	37.6	-176.4	-55.2	-73.7	0	0	0	114.9	L1149 G1150 P1181 T1182	L1149-H1153 PolarHBondContact O-N 3.13Å; G1150-H1153 PolarHBondContact O-N 3.42Å; H1153-P1181 WeakPolarHBondContact O-CA 3.48Å; H1153-T1182 WeakPolarHBondContact CA-OG1 3.37Å; H1153-T1182 PolarHBondContact O-N 3.04Å; H1153-T1182 PolarHBondContact O-OG1 3.48Å; H1153-T1182 VanDerWaalsContact O-OG1 3.08Å
1154	L	79.8	Confident	80.2	Confident	2 Å²	2	65.2 Å²	65.2	1%	0.01	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	148.8	178.4	-61.1	164.2	0	0	0	111	L1149 M1152 P1181 F1186 M1192 L1196	L1149-L1154 CarbonylContact C-O 3.54Å; L1149-L1154 HydrophobicContact CB-CB 4.06Å; L1149-L1154 HydrophobicContact CD1-CB 4.34Å; L1149-L1154 HydrophobicContact CD2-CD1 4.4Å; L1149-L1154 PolarHBondContact O-N 2.87Å; M1152-L1154 VanDerWaalsContact C-N 3.34Å; M1152-L1154 HydrophobicContact CB-CD1 4.26Å; M1152-L1154 PolarHBondContact O-N 2.88Å; L1154-P1181 HydrophobicContact CD2-CB 4.46Å; L1154-F1186 HydrophobicContact CD2-CE2 4.32Å; L1154-M1192 HydrophobicContact CD2-CG 3.78Å; L1154-M1192 HydrophobicContact CD2-SD 3.4Å; L1154-M1192 WeakPolarHBondContact CD2-SD 3.34Å; L1154-L1196 HydrophobicContact CD1-CD1 3.45Å; L1154-L1196 VanDerWaalsContact CD1-CD1 3.45Å; L1154-L1196 HydrophobicContact CD1-CD2 4.06Å; L1154-L1196 HydrophobicContact CD1-CG 3.99Å; L1154-L1196 HydrophobicContact CD2-CD1 4.5Å
1155	T	85.9	Confident	79.5	Confident	40 Å²	40	65.2 Å²	65.2	25%	0.245	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	147.7	169.7	42.7	0	0	0	0	110.2	L1179 S1180 T1182	T1155-L1179 CarbonylContact O-C 3.53Å; T1155-L1179 WeakPolarHBondContact O-CA 3.24Å; T1155-S1180 PolarHBondContact N-O 3.48Å; T1155-S1180 PolarHBondContact O-N 3.19Å; T1155-S1180 PolarHBondContact OG1-O 3.49Å; T1155-T1182 HydrophobicContact CG2-CG2 3.13Å
1156	A	89	Confident	78.8	Confident	7 Å²	7	65.3 Å²	65.3	6%	0.058	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	144	169.2	0	0	0	0	0	109.7	A1142 L1145 S1146 Q1178 L1179	A1142-A1156 HydrophobicContact CB-CB 4.06Å; L1145-A1156 HydrophobicContact CB-CB 4.09Å; L1145-A1156 HydrophobicContact CD2-CB 3.73Å; L1145-A1156 HydrophobicContact CG-CB 4.07Å; S1146-A1156 PolarHBondContact OG-N 3.2Å; S1146-A1156 PolarHBondContact OG-O 3.38Å; S1146-A1156 VanDerWaalsContact OG-O 3.08Å; A1156-Q1178 CarbonylContact C-O 3.59Å; A1156-Q1178 WeakPolarHBondContact CA-O 3.39Å; A1156-L1179 HydrophobicContact CB-CD2 3.76Å
1157	K	88.4	Confident	78.2	Confident	118 Å²	118	68 Å²	68	51%	0.513	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	130.7	171.1	-68.1	-175.6	179.6	178.7	0	110.2	L1177 Q1178	K1157-L1177 CarbonylContact O-C 3.54Å; K1157-L1177 WeakPolarHBondContact O-CA 3.46Å; K1157-Q1178 PolarHBondContact N-O 3.18Å; K1157-Q1178 PolarHBondContact O-N 3.02Å
1158	G	87.1	Confident	77.3	Confident	6 Å²	6	68.4 Å²	68.4	6%	0.062	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	141.5	166.8	0	0	0	0	0	110.8	H1139 F1176	H1139-G1158 PolarHBondContact CD2-O 3.26Å; H1139-G1158 PolarHBondContact NE2-O 3.47Å; G1158-F1176 CarbonylContact C-O 3.57Å; G1158-F1176 WeakPolarHBondContact CA-O 3.47Å
1159	R	82.9	Confident	76.7	Confident	121 Å²	121	71.1 Å²	71.1	46%	0.457	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	150.6	177.5	-72	-171.1	179.8	-150.1	7.7	110.8	L1135 A1175 F1176	L1135-R1159 VanDerWaalsContact CD1-C 3.48Å; R1159-A1175 WeakPolarHBondContact O-CA 3.21Å; R1159-F1176 HydrophobicContact CB-CD1 3.79Å; R1159-F1176 HydrophobicContact CB-CD2 4.4Å; R1159-F1176 HydrophobicContact CB-CE1 3.29Å; R1159-F1176 HydrophobicContact CB-CE2 3.97Å; R1159-F1176 HydrophobicContact CB-CG 4.33Å; R1159-F1176 HydrophobicContact CB-CZ 3.42Å; R1159-F1176 VanDerWaalsContact CB-CZ 3.42Å; R1159-F1176 HydrophobicContact CG-CE1 4.31Å; R1159-F1176 HydrophobicContact CG-CE2 4.33Å; R1159-F1176 HydrophobicContact CG-CZ 3.95Å; R1159-F1176 PolarHBondContact N-O 2.89Å; R1159-F1176 PolarHBondContact O-N 3.29Å
1160	P	80	Confident	76.4	Confident	63 Å²	63	72.1 Å²	72.1	41%	0.409	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	139.1	175.8	27.2	-32.8	0	0	0	110.3	L1135	L1135-P1160 HydrophobicContact CD2-CB 4.35Å
1161	L	82.5	Confident	76.6	Confident	9 Å²	9	75.8 Å²	75.8	5%	0.047	36%	0.358	C	S	.	.			trans	-82.9	118	174.4	-168.7	64.9	0	0	0	109.4	L1097 I1101 I1122 L1166 Y1174 F1176	L1097-L1161 HydrophobicContact CD1-CD1 4.34Å; L1097-L1161 HydrophobicContact CD2-CD1 4.15Å; I1101-L1161 HydrophobicContact CD1-CD1 4.12Å; I1101-L1161 HydrophobicContact CD1-CD2 3.58Å; I1101-L1161 HydrophobicContact CD1-CG 3.84Å; I1101-L1161 HydrophobicContact CG1-CD2 3.75Å; I1122-L1161 HydrophobicContact CG2-CD2 4.17Å; L1161-L1166 HydrophobicContact CD2-CD1 4.29Å; L1161-L1166 HydrophobicContact CG-CD1 4.32Å; L1161-Y1174 HydrophobicContact CD2-CD1 4.36Å; L1161-Y1174 HydrophobicContact CD2-CG 4.22Å; L1161-F1176 HydrophobicContact CD1-CD1 4.26Å
1162	R	70.2	Confident	77	Confident	221 Å²	221	71.5 Å²	71.5	83%	0.834	34%	0.338	S	S	*	.			trans	-106.5	114.7	178.3	-65	-173	-179.8	-172.9	-0.4	109.4
1163	S	74.5	Confident	77.7	Confident	7 Å²	7	69.4 Å²	69.4	5%	0.049	33%	0.326	C	S	.	.			trans	-143.8	144.9	171.7	178.6	0	0	0	0	109.7	N1098 H1165 L1166	N1098-S1163 PolarHBondContact OD1-OG 3.06Å; S1163-H1165 PolarHBondContact O-N 3.29Å; S1163-H1165 PolarHBondContact OG-CD2 3.48Å; S1163-H1165 PolarHBondContact OG-N 2.9Å; S1163-L1166 PolarHBondContact O-N 3.4Å
1164	N	67	Low	78.1	Confident	127 Å²	127	65.1 Å²	65.1	68%	0.679	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-17.7	176.5	-66.1	-19	0	0	0	112
1165	H	73.6	Confident	78.5	Confident	66 Å²	66	65 Å²	65	31%	0.306	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-9.6	179	-56.2	-66.7	0	0	0	114.1	I1061 L1102 I1105 S1163	I1061-H1165 VanDerWaalsContact CD1-CE1 3.44Å; I1061-H1165 WeakPolarHBondContact CD1-CE1 3.48Å; I1061-H1165 VanDerWaalsContact CD1-NE2 3.27Å; I1061-H1165 WeakPolarHBondContact CD1-NE2 3.38Å; L1102-H1165 HydrophobicContact CD2-CB 3.74Å; L1102-H1165 HydrophobicContact CG-CB 4.44Å; I1105-H1165 HydrophobicContact CD1-CB 4.47Å; I1105-H1165 WeakPolarHBondContact CD1-O 3.5Å; S1163-H1165 PolarHBondContact O-N 3.29Å; S1163-H1165 PolarHBondContact OG-CD2 3.48Å; S1163-H1165 PolarHBondContact OG-N 2.9Å
1166	L	73.4	Confident	78.6	Confident	2 Å²	2	65.1 Å²	65.1	1%	0.01	30%	0.303	C	S	.	.			trans	-89.6	114.9	175.1	-67.4	168.6	0	0	0	109.6	I1101 I1105 L1161 S1163 D1170 R1171 Y1174	I1101-L1166 HydrophobicContact CG2-CD1 4.38Å; I1101-L1166 HydrophobicContact CG2-CD2 3.91Å; I1101-L1166 HydrophobicContact CG2-CG 3.91Å; I1105-L1166 HydrophobicContact CD1-CD2 3.92Å; I1105-L1166 HydrophobicContact CG1-CD2 4.29Å; L1161-L1166 HydrophobicContact CD2-CD1 4.29Å; L1161-L1166 HydrophobicContact CG-CD1 4.32Å; S1163-L1166 PolarHBondContact O-N 3.4Å; L1166-D1170 HydrophobicContact CD2-CB 3.98Å; L1166-R1171 HydrophobicContact CB-CG 3.63Å; L1166-R1171 PolarHBondContact O-NE 3.28Å; L1166-Y1174 HydrophobicContact CD1-CD2 4.3Å; L1166-Y1174 HydrophobicContact CD2-CD2 3.37Å; L1166-Y1174 HydrophobicContact CD2-CE2 3.43Å; L1166-Y1174 VanDerWaalsContact CD2-CE2 3.43Å; L1166-Y1174 HydrophobicContact CD2-CG 4.21Å; L1166-Y1174 HydrophobicContact CG-CD2 4.49Å
1167	N	75.6	Confident	78.6	Confident	80 Å²	80	64.8 Å²	64.8	43%	0.428	30%	0.3	S	S	.	.			trans	-67.1	171.6	171.1	67.1	38.6	0	0	0	110.9	D1169 D1170 R1171	N1167-D1169 PolarHBondContact O-N 3.24Å; N1167-D1169 PolarHBondContact OD1-N 2.76Å; N1167-D1170 VanDerWaalsContact CG-OD2 3.26Å; N1167-D1170 PolarHBondContact ND2-OD2 3Å; N1167-D1170 PolarHBondContact O-N 2.85Å; N1167-D1170 WeakPolarHBondContact OD1-CB 3.48Å; N1167-D1170 PolarHBondContact OD1-N 2.88Å; N1167-D1170 PolarHBondContact OD1-OD2 2.89Å; N1167-R1171 VanDerWaalsContact O-CG 3.27Å; N1167-R1171 WeakPolarHBondContact O-CG 3.38Å; N1167-R1171 PolarHBondContact O-N 3.14Å
1168	N	66	Low	78.6	Confident	108 Å²	108	61.6 Å²	61.6	58%	0.578	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-29.7	-177.5	-77.9	-22.9	0	0	0	113.4	Y1172	N1168-Y1172 VanDerWaalsContact O-CD2 3.27Å; N1168-Y1172 WeakPolarHBondContact O-CD2 3.34Å; N1168-Y1172 WeakPolarHBondContact O-CE2 3.44Å
1169	D	68.7	Low	78.6	Confident	123 Å²	123	61.3 Å²	61.3	66%	0.658	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-34.9	-178.8	-61.5	-26.9	0	0	0	112	N1167	N1167-D1169 PolarHBondContact O-N 3.24Å; N1167-D1169 PolarHBondContact OD1-N 2.76Å
1170	D	72.8	Confident	78.4	Confident	23 Å²	23	57.2 Å²	57.2	12%	0.123	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-82	-28.5	-177.5	-70.4	-35.8	0	0	0	112.3	L1166 N1167 Y1172 K1173 Y1174	L1166-D1170 HydrophobicContact CD2-CB 3.98Å; N1167-D1170 VanDerWaalsContact CG-OD2 3.26Å; N1167-D1170 PolarHBondContact ND2-OD2 3Å; N1167-D1170 PolarHBondContact O-N 2.85Å; N1167-D1170 WeakPolarHBondContact OD1-CB 3.48Å; N1167-D1170 PolarHBondContact OD1-N 2.88Å; N1167-D1170 PolarHBondContact OD1-OD2 2.89Å; D1170-Y1172 PolarHBondContact O-N 2.84Å; D1170-K1173 WeakPolarHBondContact O-CB 3.45Å; D1170-K1173 PolarHBondContact O-N 2.98Å; D1170-K1173 WeakPolarHBondContact OD1-CE 3.23Å; D1170-K1173 IonicContact OD1-NZ 3.58Å; D1170-K1173 PolarHBondContact OD1-NZ 2.77Å; D1170-Y1174 HydrophobicContact CB-CE2 4.24Å; D1170-Y1174 WeakPolarHBondContact O-CD2 3.32Å
1171	R	73.8	Confident	78.2	Confident	115 Å²	115	56.4 Å²	56.4	43%	0.434	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-52.5	-26.8	178.4	-81.4	173.9	-172.1	-165.6	-0.8	113.9	L1166 N1167	L1166-R1171 HydrophobicContact CB-CG 3.63Å; L1166-R1171 PolarHBondContact O-NE 3.28Å; N1167-R1171 VanDerWaalsContact O-CG 3.27Å; N1167-R1171 WeakPolarHBondContact O-CG 3.38Å; N1167-R1171 PolarHBondContact O-N 3.14Å
1172	Y	79	Confident	77.6	Confident	79 Å²	79	59.4 Å²	59.4	31%	0.31	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-89.9	-5.4	-179.1	-50.4	-55.6	0	0	0	114.6	N1131 A1134 N1168 D1170	N1131-Y1172 HydrophobicContact CB-CD1 4.28Å; N1131-Y1172 HydrophobicContact CB-CD2 4.49Å; N1131-Y1172 HydrophobicContact CB-CE1 3.87Å; N1131-Y1172 HydrophobicContact CB-CE2 4.11Å; N1131-Y1172 WeakPolarHBondContact O-CD1 3.38Å; N1131-Y1172 WeakPolarHBondContact O-CE1 3.42Å; A1134-Y1172 WeakPolarHBondContact CB-O 3.5Å; A1134-Y1172 PolarHBondContact N-O 2.62Å; A1134-Y1172 VanDerWaalsContact N-O 3.13Å; N1168-Y1172 VanDerWaalsContact O-CD2 3.27Å; N1168-Y1172 WeakPolarHBondContact O-CD2 3.34Å; N1168-Y1172 WeakPolarHBondContact O-CE2 3.44Å; D1170-Y1172 PolarHBondContact O-N 2.84Å
1173	K	83.8	Confident	77.1	Confident	44 Å²	44	50.8 Å²	50.8	19%	0.191	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-17	176.5	-60	176.5	-171.6	163	0	113.1	Y1124 F1125 S1128 A1134 D1170	Y1124-K1173 WeakPolarHBondContact CA-O 3.39Å; Y1124-K1173 HydrophobicContact CD2-CB 4.1Å; Y1124-K1173 HydrophobicContact CE2-CB 3.88Å; Y1124-K1173 HydrophobicContact CE2-CD 4.18Å; F1125-K1173 PolarHBondContact N-O 2.87Å; S1128-K1173 WeakPolarHBondContact OG-CG 3.42Å; A1134-K1173 WeakPolarHBondContact CB-O 3.17Å; D1170-K1173 WeakPolarHBondContact O-CB 3.45Å; D1170-K1173 PolarHBondContact O-N 2.98Å; D1170-K1173 WeakPolarHBondContact OD1-CE 3.23Å; D1170-K1173 IonicContact OD1-NZ 3.58Å; D1170-K1173 PolarHBondContact OD1-NZ 2.77Å
1174	Y	86.8	Confident	76.4	Confident	6 Å²	6	58.2 Å²	58.2	2%	0.024	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	140.9	-175.5	-58.3	-92.3	0	0	0	112.9	F1104 C1123 Y1124 L1161 L1166 D1170	F1104-Y1174 HydrophobicContact CB-CE1 3.78Å; F1104-Y1174 HydrophobicContact CG-CE1 4.28Å; C1123-Y1174 WeakPolarHBondContact O-CA 3.42Å; Y1124-Y1174 AromaticContact CD2-CD1 3.68Å; Y1124-Y1174 HydrophobicContact CD2-CD1 3.68Å; Y1124-Y1174 HydrophobicContact CD2-CD2 4.34Å; Y1124-Y1174 AromaticContact CD2-CE1 3.19Å; Y1124-Y1174 HydrophobicContact CD2-CE1 3.19Å; Y1124-Y1174 AromaticContact CD2-CE2 3.93Å; Y1124-Y1174 HydrophobicContact CD2-CE2 3.93Å; Y1124-Y1174 HydrophobicContact CD2-CG 4.23Å; Y1124-Y1174 AromaticContact CD2-CZ 3.34Å; Y1124-Y1174 AromaticContact CE2-CE1 3.92Å; Y1124-Y1174 HydrophobicContact CE2-CE1 3.92Å; Y1124-Y1174 HydrophobicContact CE2-CE2 4.02Å; Y1124-Y1174 AromaticContact CE2-CZ 3.55Å; Y1124-Y1174 WeakPolarHBondContact CE2-OH 3.21Å; Y1124-Y1174 HydrophobicContact CG-CD1 4.28Å; Y1124-Y1174 AromaticContact CG-CE1 3.86Å; Y1124-Y1174 HydrophobicContact CG-CE1 3.86Å; L1161-Y1174 HydrophobicContact CD2-CD1 4.36Å; L1161-Y1174 HydrophobicContact CD2-CG 4.22Å; L1166-Y1174 HydrophobicContact CD1-CD2 4.3Å; L1166-Y1174 HydrophobicContact CD2-CD2 3.37Å; L1166-Y1174 HydrophobicContact CD2-CE2 3.43Å; L1166-Y1174 VanDerWaalsContact CD2-CE2 3.43Å; L1166-Y1174 HydrophobicContact CD2-CG 4.21Å; L1166-Y1174 HydrophobicContact CG-CD2 4.49Å; D1170-Y1174 HydrophobicContact CB-CE2 4.24Å; D1170-Y1174 WeakPolarHBondContact O-CD2 3.32Å
1175	A	87.6	Confident	75.9	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	167.8	170.2	0	0	0	0	0	109.6	C1123 A1134 A1138 R1159	C1123-A1175 PolarHBondContact N-O 2.88Å; C1123-A1175 PolarHBondContact O-N 2.91Å; A1134-A1175 HydrophobicContact CB-CB 4.33Å; A1138-A1175 HydrophobicContact CB-CB 3.6Å; R1159-A1175 WeakPolarHBondContact O-CA 3.21Å
1176	F	88.4	Confident	75.2	Confident	42 Å²	42	55.5 Å²	55.5	18%	0.184	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	147.3	168.2	77.1	-87.4	0	0	0	112	L1120 A1121 G1158 R1159 L1161 Q1178	L1120-F1176 HydrophobicContact CD2-CD2 4Å; L1120-F1176 HydrophobicContact CD2-CE2 4.15Å; A1121-F1176 CarbonylContact O-C 3.53Å; A1121-F1176 WeakPolarHBondContact O-CA 3.4Å; A1121-F1176 WeakPolarHBondContact O-CB 3.26Å; G1158-F1176 CarbonylContact C-O 3.57Å; G1158-F1176 WeakPolarHBondContact CA-O 3.47Å; R1159-F1176 HydrophobicContact CB-CD1 3.79Å; R1159-F1176 HydrophobicContact CB-CD2 4.4Å; R1159-F1176 HydrophobicContact CB-CE1 3.29Å; R1159-F1176 HydrophobicContact CB-CE2 3.97Å; R1159-F1176 HydrophobicContact CB-CG 4.33Å; R1159-F1176 HydrophobicContact CB-CZ 3.42Å; R1159-F1176 VanDerWaalsContact CB-CZ 3.42Å; R1159-F1176 HydrophobicContact CG-CE1 4.31Å; R1159-F1176 HydrophobicContact CG-CE2 4.33Å; R1159-F1176 HydrophobicContact CG-CZ 3.95Å; R1159-F1176 PolarHBondContact N-O 2.89Å; R1159-F1176 PolarHBondContact O-N 3.29Å; L1161-F1176 HydrophobicContact CD1-CD1 4.26Å; F1176-Q1178 HydrophobicContact CD2-CB 4.2Å; F1176-Q1178 HydrophobicContact CE2-CB 3.94Å
1177	L	89	Confident	74.4	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.005	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	132.9	169.3	-61.1	167.8	0	0	0	108.5	L1120 A1121 A1138 I1141 A1142 K1157 L1205	L1120-L1177 WeakPolarHBondContact CA-O 3.26Å; A1121-L1177 HydrophobicContact CB-CB 4.16Å; A1121-L1177 HydrophobicContact CB-CD1 4.45Å; A1121-L1177 PolarHBondContact N-O 3.09Å; A1121-L1177 PolarHBondContact O-N 3.48Å; A1138-L1177 HydrophobicContact CB-CD2 4.07Å; A1138-L1177 WeakPolarHBondContact O-CD2 3.38Å; I1141-L1177 HydrophobicContact CB-CD1 4.42Å; I1141-L1177 HydrophobicContact CB-CD2 4.48Å; I1141-L1177 HydrophobicContact CG2-CD1 3.68Å; I1141-L1177 HydrophobicContact CG2-CD2 4.43Å; A1142-L1177 HydrophobicContact CB-CD2 3.8Å; K1157-L1177 CarbonylContact O-C 3.54Å; K1157-L1177 WeakPolarHBondContact O-CA 3.46Å; L1177-L1205 HydrophobicContact CD1-CD1 3.95Å
1178	Q	88.1	Confident	73.8	Confident	50 Å²	50	59.9 Å²	59.9	23%	0.234	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	124.6	175.3	-175.2	175.5	17.4	0	0	110	N1119 L1120 A1156 K1157 F1176	N1119-Q1178 WeakPolarHBondContact O-CA 3.42Å; L1120-Q1178 HydrophobicContact CD2-CB 4.07Å; L1120-Q1178 HydrophobicContact CD2-CG 3.92Å; A1156-Q1178 CarbonylContact C-O 3.59Å; A1156-Q1178 WeakPolarHBondContact CA-O 3.39Å; K1157-Q1178 PolarHBondContact N-O 3.18Å; K1157-Q1178 PolarHBondContact O-N 3.02Å; F1176-Q1178 HydrophobicContact CD2-CB 4.2Å; F1176-Q1178 HydrophobicContact CE2-CB 3.94Å
1179	L	85.9	Confident	73.6	Confident	1 Å²	1	58 Å²	58	1%	0.005	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	139.6	170.3	-60.1	-178.6	0	0	0	110.6	N1119 L1145 L1149 T1155 A1156 Y1201	N1119-L1179 HydrophobicContact CB-CB 4.22Å; N1119-L1179 PolarHBondContact O-N 2.99Å; L1145-L1179 HydrophobicContact CD2-CD2 4.16Å; L1149-L1179 HydrophobicContact CD1-CD2 3.56Å; T1155-L1179 CarbonylContact O-C 3.53Å; T1155-L1179 WeakPolarHBondContact O-CA 3.24Å; A1156-L1179 HydrophobicContact CB-CD2 3.76Å; L1179-Y1201 HydrophobicContact CD1-CD2 3.99Å; L1179-Y1201 HydrophobicContact CD1-CE1 4.38Å; L1179-Y1201 HydrophobicContact CD1-CE2 3.47Å; L1179-Y1201 VanDerWaalsContact CD1-CE2 3.47Å; L1179-Y1201 HydrophobicContact CD2-CE2 3.99Å; L1179-Y1201 HydrophobicContact CG-CE2 4.16Å
1180	S	80.2	Confident	73.5	Confident	34 Å²	34	55.9 Å²	55.9	24%	0.238	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	143.4	177	-60.6	0	0	0	0	110.4	T1155	T1155-S1180 PolarHBondContact N-O 3.48Å; T1155-S1180 PolarHBondContact O-N 3.19Å; T1155-S1180 PolarHBondContact OG1-O 3.49Å
1181	P	75	Confident	73.1	Confident	47 Å²	47	59.8 Å²	59.8	31%	0.305	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	143.5	176	26.6	-33.2	0	0	0	111.9	H1153 L1154 F1186 M1189	H1153-P1181 WeakPolarHBondContact O-CA 3.48Å; L1154-P1181 HydrophobicContact CD2-CB 4.46Å; P1181-F1186 HydrophobicContact CB-CB 4.11Å; P1181-F1186 HydrophobicContact CB-CD2 3.96Å; P1181-F1186 HydrophobicContact CB-CG 4.49Å; P1181-F1186 HydrophobicContact CG-CB 4.35Å; P1181-M1189 HydrophobicContact CG-CE 4.37Å
1182	T	69.6	Low	73	Confident	72 Å²	72	54.3 Å²	54.3	44%	0.442	30%	0.297	S	S	.	.	S	Bend	trans	-88.8	-16.7	177	48.6	0	0	0	0	114.1	H1153 T1155	H1153-T1182 WeakPolarHBondContact CA-OG1 3.37Å; H1153-T1182 PolarHBondContact O-N 3.04Å; H1153-T1182 PolarHBondContact O-OG1 3.48Å; H1153-T1182 VanDerWaalsContact O-OG1 3.08Å; T1155-T1182 HydrophobicContact CG2-CG2 3.13Å
1183	A	61	Low	72.5	Confident	40 Å²	40	53.5 Å²	53.5	33%	0.331	30%	0.296	S	S	.	.	S	Bend	trans	-138.7	159.8	-178.6	0	0	0	0	0	110.5	T1185	A1183-T1185 PolarHBondContact O-N 2.87Å
1184	D	58.6	Low	71.8	Confident	163 Å²	163	59 Å²	59	87%	0.872	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	5	178	-72.5	-29.5	0	0	0	114.6	F1186	D1184-F1186 PolarHBondContact O-N 2.85Å
1185	T	57.2	Low	70.9	Confident	89 Å²	89	61.9 Å²	61.9	55%	0.546	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-26	179.2	42.8	0	0	0	0	112.9	A1183	A1183-T1185 PolarHBondContact O-N 2.87Å
1186	F	57.7	Low	70.2	Confident	46 Å²	46	62.4 Å²	62.4	20%	0.202	35%	0.346	C	S	.	.			trans	-98.4	98.7	170.4	-72.7	-69.9	0	0	0	111.4	L1154 P1181 D1184 T1188 K1191 M1192 S1195	L1154-F1186 HydrophobicContact CD2-CE2 4.32Å; P1181-F1186 HydrophobicContact CB-CB 4.11Å; P1181-F1186 HydrophobicContact CB-CD2 3.96Å; P1181-F1186 HydrophobicContact CB-CG 4.49Å; P1181-F1186 HydrophobicContact CG-CB 4.35Å; D1184-F1186 PolarHBondContact O-N 2.85Å; F1186-T1188 PolarHBondContact O-N 2.78Å; F1186-T1188 VanDerWaalsContact O-N 3.17Å; F1186-K1191 HydrophobicContact CD1-CB 3.99Å; F1186-M1192 VanDerWaalsContact CD1-CA 3.49Å; F1186-M1192 HydrophobicContact CD1-CB 3.84Å; F1186-M1192 HydrophobicContact CD2-CB 4.46Å; F1186-M1192 VanDerWaalsContact CE1-CA 3.43Å; F1186-M1192 HydrophobicContact CE1-CB 4.1Å; F1186-M1192 HydrophobicContact CG-CB 4.04Å; F1186-M1192 HydrophobicContact CZ-CB 4.48Å; F1186-S1195 WeakPolarHBondContact CE1-OG 3.09Å; F1186-S1195 WeakPolarHBondContact CZ-OG 3.47Å
1187	T	58.2	Low	69.8	Low	103 Å²	103	64 Å²	64	63%	0.632	36%	0.357	S	S	*	.	S	Bend	trans	-65.1	-17	178.7	8.9	0	0	0	0	113.9	K1191	T1187-K1191 PolarHBondContact OG1-NZ 3.41Å
1188	T	61.8	Low	69.5	Low	71 Å²	71	65.9 Å²	65.9	44%	0.436	36%	0.364	S	S	.	.	S	Bend	trans	-157.1	151.7	178.4	47.9	0	0	0	0	110.2	F1186 T1190 K1191	F1186-T1188 PolarHBondContact O-N 2.78Å; F1186-T1188 VanDerWaalsContact O-N 3.17Å; T1188-T1190 PolarHBondContact O-N 3.26Å; T1188-K1191 PolarHBondContact O-N 2.95Å; T1188-K1191 VanDerWaalsContact O-N 3.1Å
1189	M	62.8	Low	69.2	Low	68 Å²	68	69 Å²	69	34%	0.335	38%	0.382	S	S	.	.	H	α-helix	trans	-54.3	-35.7	173.4	-84.7	-79.2	80.1	0	0	113	P1181 K1191 M1192 Q1193	P1181-M1189 HydrophobicContact CG-CE 4.37Å; M1189-K1191 VanDerWaalsContact C-N 3.29Å; M1189-K1191 PolarHBondContact O-N 2.92Å; M1189-M1192 HydrophobicContact CE-CB 3.95Å; M1189-M1192 HydrophobicContact CE-CE 3.33Å; M1189-M1192 HydrophobicContact CE-CG 4.25Å; M1189-M1192 HydrophobicContact CE-SD 3.28Å; M1189-M1192 WeakPolarHBondContact CE-SD 3.21Å; M1189-M1192 WeakPolarHBondContact O-CB 3.47Å; M1189-M1192 PolarHBondContact O-N 3.03Å; M1189-M1192 VanDerWaalsContact O-N 3.13Å; M1189-M1192 HydrophobicContact SD-CE 3.8Å; M1189-M1192 HydrophobicContact SD-SD 4.48Å; M1189-Q1193 WeakPolarHBondContact O-CG 3.32Å; M1189-Q1193 PolarHBondContact O-N 3.43Å; M1189-Q1193 VanDerWaalsContact O-N 3.1Å
1190	T	65.6	Low	69	Low	79 Å²	79	73.4 Å²	73.4	49%	0.485	41%	0.405	S	S	.	.	H	α-helix	trans	-58.3	-38.9	178.4	-42.5	0	0	0	0	112.6	T1188 Q1193 Q1194	T1188-T1190 PolarHBondContact O-N 3.26Å; T1190-Q1193 PolarHBondContact O-N 3.49Å; T1190-Q1194 WeakPolarHBondContact O-CG 3.33Å; T1190-Q1194 PolarHBondContact O-N 3.33Å
1191	K	65.8	Low	69.3	Low	106 Å²	106	71.9 Å²	71.9	46%	0.461	40%	0.395	S	S	.	.	H	α-helix	trans	-67.9	-36.7	177.2	-74.4	-177.1	-179.5	179.7	0	112.3	F1186 T1187 T1188 M1189 Q1193 Q1194 S1195	F1186-K1191 HydrophobicContact CD1-CB 3.99Å; T1187-K1191 PolarHBondContact OG1-NZ 3.41Å; T1188-K1191 PolarHBondContact O-N 2.95Å; T1188-K1191 VanDerWaalsContact O-N 3.1Å; M1189-K1191 VanDerWaalsContact C-N 3.29Å; M1189-K1191 PolarHBondContact O-N 2.92Å; K1191-Q1193 VanDerWaalsContact C-N 3.33Å; K1191-Q1194 PolarHBondContact O-N 3.43Å; K1191-S1195 PolarHBondContact O-N 2.97Å; K1191-S1195 PolarHBondContact O-OG 3.04Å
1192	M	70.7	Confident	69.8	Low	0 Å²	0	71.9 Å²	71.9	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-62.7	-42.2	174.3	-177.4	-168.6	77.6	0	0	111.3	N1119 L1154 F1186 M1189 Q1194 S1195 L1196	N1119-M1192 HydrophobicContact CB-CE 3.63Å; L1154-M1192 HydrophobicContact CD2-CG 3.78Å; L1154-M1192 HydrophobicContact CD2-SD 3.4Å; L1154-M1192 WeakPolarHBondContact CD2-SD 3.34Å; F1186-M1192 VanDerWaalsContact CD1-CA 3.49Å; F1186-M1192 HydrophobicContact CD1-CB 3.84Å; F1186-M1192 HydrophobicContact CD2-CB 4.46Å; F1186-M1192 VanDerWaalsContact CE1-CA 3.43Å; F1186-M1192 HydrophobicContact CE1-CB 4.1Å; F1186-M1192 HydrophobicContact CG-CB 4.04Å; F1186-M1192 HydrophobicContact CZ-CB 4.48Å; M1189-M1192 HydrophobicContact CE-CB 3.95Å; M1189-M1192 HydrophobicContact CE-CE 3.33Å; M1189-M1192 HydrophobicContact CE-CG 4.25Å; M1189-M1192 HydrophobicContact CE-SD 3.28Å; M1189-M1192 WeakPolarHBondContact CE-SD 3.21Å; M1189-M1192 WeakPolarHBondContact O-CB 3.47Å; M1189-M1192 PolarHBondContact O-N 3.03Å; M1189-M1192 VanDerWaalsContact O-N 3.13Å; M1189-M1192 HydrophobicContact SD-CE 3.8Å; M1189-M1192 HydrophobicContact SD-SD 4.48Å; M1192-Q1194 VanDerWaalsContact C-N 3.27Å; M1192-Q1194 PolarHBondContact O-N 2.86Å; M1192-S1195 PolarHBondContact O-N 3.16Å; M1192-S1195 PolarHBondContact O-OG 2.9Å; M1192-S1195 VanDerWaalsContact O-OG 3.06Å; M1192-L1196 HydrophobicContact CG-CD1 3.46Å; M1192-L1196 VanDerWaalsContact CG-CD1 3.46Å; M1192-L1196 WeakPolarHBondContact O-CD1 3.48Å; M1192-L1196 PolarHBondContact O-N 3.4Å; M1192-L1196 VanDerWaalsContact O-N 3.14Å; M1192-L1196 HydrophobicContact SD-CD1 4.28Å
1193	Q	68.7	Low	70.6	Confident	62 Å²	62	72.5 Å²	72.5	29%	0.29	39%	0.394	S	S	.	.	H	α-helix	trans	-66	-30.8	-179	-64.3	177	-17.9	0	0	113.1	I1118 M1189 T1190 K1191 W1198	I1118-Q1193 HydrophobicContact CG2-CB 4.46Å; I1118-Q1193 VanDerWaalsContact CG2-CD 3.49Å; I1118-Q1193 HydrophobicContact CG2-CG 3.43Å; I1118-Q1193 VanDerWaalsContact CG2-CG 3.43Å; M1189-Q1193 WeakPolarHBondContact O-CG 3.32Å; M1189-Q1193 PolarHBondContact O-N 3.43Å; M1189-Q1193 VanDerWaalsContact O-N 3.1Å; T1190-Q1193 PolarHBondContact O-N 3.49Å; K1191-Q1193 VanDerWaalsContact C-N 3.33Å; Q1193-W1198 HydrophobicContact CB-CZ2 4.41Å; Q1193-W1198 HydrophobicContact CG-CZ2 4.4Å; Q1193-W1198 PolarHBondContact O-NE1 3.38Å
1194	Q	69.7	Low	71.9	Confident	158 Å²	158	72 Å²	72	74%	0.738	39%	0.386	S	S	*	.	H	α-helix	trans	-80.2	-28.2	178	-71.4	174.5	-12.7	0	0	113	T1190 K1191 M1192	T1190-Q1194 WeakPolarHBondContact O-CG 3.33Å; T1190-Q1194 PolarHBondContact O-N 3.33Å; K1191-Q1194 PolarHBondContact O-N 3.43Å; M1192-Q1194 VanDerWaalsContact C-N 3.27Å; M1192-Q1194 PolarHBondContact O-N 2.86Å
1195	S	67.5	Low	73.3	Confident	67 Å²	67	64.2 Å²	64.2	47%	0.469	34%	0.344	S	S	.	.	H	α-helix	trans	-91.1	-24.5	-176.6	61.9	0	0	0	0	114.5	F1186 K1191 M1192	F1186-S1195 WeakPolarHBondContact CE1-OG 3.09Å; F1186-S1195 WeakPolarHBondContact CZ-OG 3.47Å; K1191-S1195 PolarHBondContact O-N 2.97Å; K1191-S1195 PolarHBondContact O-OG 3.04Å; M1192-S1195 PolarHBondContact O-N 3.16Å; M1192-S1195 PolarHBondContact O-OG 2.9Å; M1192-S1195 VanDerWaalsContact O-OG 3.06Å
1196	L	72.3	Confident	74.7	Confident	12 Å²	12	63.5 Å²	63.5	6%	0.063	34%	0.335	C	S	.	.	S	Bend	trans	-76.4	126.5	177.3	-99.7	116.8	0	0	0	110.7	L1154 M1192 W1198	L1154-L1196 HydrophobicContact CD1-CD1 3.45Å; L1154-L1196 VanDerWaalsContact CD1-CD1 3.45Å; L1154-L1196 HydrophobicContact CD1-CD2 4.06Å; L1154-L1196 HydrophobicContact CD1-CG 3.99Å; L1154-L1196 HydrophobicContact CD2-CD1 4.5Å; M1192-L1196 HydrophobicContact CG-CD1 3.46Å; M1192-L1196 VanDerWaalsContact CG-CD1 3.46Å; M1192-L1196 WeakPolarHBondContact O-CD1 3.48Å; M1192-L1196 PolarHBondContact O-N 3.4Å; M1192-L1196 VanDerWaalsContact O-N 3.14Å; M1192-L1196 HydrophobicContact SD-CD1 4.28Å; L1196-W1198 HydrophobicContact CB-CZ2 4.43Å; L1196-W1198 PolarHBondContact O-N 3.23Å
1197	N	81.4	Confident	76.1	Confident	75 Å²	75	67.3 Å²	67.3	40%	0.401	35%	0.351	S	S	.	.			trans	-71.6	107.8	158.7	-176.8	-4.6	0	0	0	109	N1199 D1200 Y1201	N1197-N1199 PolarHBondContact O-N 2.9Å; N1197-N1199 WeakPolarHBondContact OD1-CB 3.45Å; N1197-N1199 PolarHBondContact OD1-N 3.34Å; N1197-D1200 HydrophobicContact CB-CB 4.21Å; N1197-D1200 VanDerWaalsContact CB-OD2 3.27Å; N1197-D1200 WeakPolarHBondContact CB-OD2 3.4Å; N1197-D1200 PolarHBondContact ND2-OD1 3.47Å; N1197-D1200 PolarHBondContact ND2-OD2 3.2Å; N1197-D1200 PolarHBondContact O-N 3.06Å; N1197-Y1201 PolarHBondContact O-N 2.85Å; N1197-Y1201 VanDerWaalsContact O-N 3.13Å
1198	W	81.2	Confident	77.5	Confident	40 Å²	40	62.7 Å²	62.7	15%	0.152	32%	0.323	C	S	.	.	H	α-helix	trans	-67.2	-19.6	-178.2	-69.8	105.1	0	0	0	114	I1118 Q1193 L1196 Y1201 H1202	I1118-W1198 VanDerWaalsContact C-CZ3 3.5Å; I1118-W1198 VanDerWaalsContact CA-CH2 3.41Å; I1118-W1198 HydrophobicContact CB-CH2 4.18Å; I1118-W1198 HydrophobicContact CB-CZ2 4.22Å; I1118-W1198 HydrophobicContact CG2-CH2 3.74Å; I1118-W1198 HydrophobicContact CG2-CZ2 3.64Å; I1118-W1198 WeakPolarHBondContact O-CH2 3.24Å; I1118-W1198 WeakPolarHBondContact O-CZ3 3.2Å; Q1193-W1198 HydrophobicContact CB-CZ2 4.41Å; Q1193-W1198 HydrophobicContact CG-CZ2 4.4Å; Q1193-W1198 PolarHBondContact O-NE1 3.38Å; L1196-W1198 HydrophobicContact CB-CZ2 4.43Å; L1196-W1198 PolarHBondContact O-N 3.23Å; W1198-Y1201 AromaticContact CE3-CD1 3.76Å; W1198-Y1201 HydrophobicContact CE3-CD1 3.76Å; W1198-Y1201 HydrophobicContact CE3-CG 4.19Å; W1198-Y1201 AromaticContact CZ3-CD1 3.79Å; W1198-Y1201 HydrophobicContact CZ3-CD1 3.79Å; W1198-Y1201 HydrophobicContact CZ3-CE1 4.26Å; W1198-Y1201 HydrophobicContact CZ3-CG 4.2Å; W1198-H1202 WeakPolarHBondContact O-CB 3.42Å; W1198-H1202 PolarHBondContact O-N 2.89Å
1199	N	81.7	Confident	78.7	Confident	117 Å²	117	59.3 Å²	59.3	63%	0.626	30%	0.302	S	S	*	.	H	α-helix	trans	-73.4	-42.2	172.9	-68	-13.6	0	0	0	110.6	N1197 Y1201 H1202 T1203	N1197-N1199 PolarHBondContact O-N 2.9Å; N1197-N1199 WeakPolarHBondContact OD1-CB 3.45Å; N1197-N1199 PolarHBondContact OD1-N 3.34Å; N1199-Y1201 VanDerWaalsContact C-N 3.28Å; N1199-Y1201 PolarHBondContact O-N 2.87Å; N1199-H1202 VanDerWaalsContact O-CB 3.32Å; N1199-H1202 WeakPolarHBondContact O-CB 3.21Å; N1199-H1202 PolarHBondContact O-N 3.38Å; N1199-H1202 VanDerWaalsContact O-N 3.15Å; N1199-T1203 PolarHBondContact O-N 2.89Å; N1199-T1203 PolarHBondContact O-OG1 2.87Å
1200	D	82.7	Confident	79.8	Confident	92 Å²	92	57.2 Å²	57.2	49%	0.492	29%	0.292	S	S	.	.	H	α-helix	trans	-64	-38.8	175.5	-60.8	-20.9	0	0	0	110.6	N1197 L1204	N1197-D1200 HydrophobicContact CB-CB 4.21Å; N1197-D1200 VanDerWaalsContact CB-OD2 3.27Å; N1197-D1200 WeakPolarHBondContact CB-OD2 3.4Å; N1197-D1200 PolarHBondContact ND2-OD1 3.47Å; N1197-D1200 PolarHBondContact ND2-OD2 3.2Å; N1197-D1200 PolarHBondContact O-N 3.06Å; D1200-L1204 VanDerWaalsContact O-CB 3.26Å; D1200-L1204 WeakPolarHBondContact O-CB 3.27Å; D1200-L1204 PolarHBondContact O-N 3.5Å
1201	Y	85.4	Confident	80.7	Confident	3 Å²	3	56.7 Å²	56.7	1%	0.012	29%	0.292	C	S	.	.	H	α-helix	trans	-62.4	-43.2	172.7	177.4	-110.5	0	0	0	112.4	Y1116 L1145 L1149 L1179 N1197 W1198 N1199 L1204 L1205	Y1116-Y1201 AromaticContact CD2-CD1 3.93Å; Y1116-Y1201 HydrophobicContact CD2-CD1 3.93Å; Y1116-Y1201 AromaticContact CD2-CE1 3.64Å; Y1116-Y1201 HydrophobicContact CD2-CE1 3.64Å; Y1116-Y1201 AromaticContact CE2-CD1 3.9Å; Y1116-Y1201 HydrophobicContact CE2-CD1 3.9Å; Y1116-Y1201 HydrophobicContact CE2-CE1 4.09Å; Y1116-Y1201 HydrophobicContact CG-CE1 4.07Å; L1145-Y1201 HydrophobicContact CD1-CE2 4.29Å; L1145-Y1201 HydrophobicContact CD2-CE2 4.07Å; L1149-Y1201 HydrophobicContact CD1-CE2 4.5Å; L1179-Y1201 HydrophobicContact CD1-CD2 3.99Å; L1179-Y1201 HydrophobicContact CD1-CE1 4.38Å; L1179-Y1201 HydrophobicContact CD1-CE2 3.47Å; L1179-Y1201 VanDerWaalsContact CD1-CE2 3.47Å; L1179-Y1201 HydrophobicContact CD2-CE2 3.99Å; L1179-Y1201 HydrophobicContact CG-CE2 4.16Å; N1197-Y1201 PolarHBondContact O-N 2.85Å; N1197-Y1201 VanDerWaalsContact O-N 3.13Å; W1198-Y1201 AromaticContact CE3-CD1 3.76Å; W1198-Y1201 HydrophobicContact CE3-CD1 3.76Å; W1198-Y1201 HydrophobicContact CE3-CG 4.19Å; W1198-Y1201 AromaticContact CZ3-CD1 3.79Å; W1198-Y1201 HydrophobicContact CZ3-CD1 3.79Å; W1198-Y1201 HydrophobicContact CZ3-CE1 4.26Å; W1198-Y1201 HydrophobicContact CZ3-CG 4.2Å; N1199-Y1201 VanDerWaalsContact C-N 3.28Å; N1199-Y1201 PolarHBondContact O-N 2.87Å; Y1201-L1204 PolarHBondContact O-N 3.05Å; Y1201-L1205 HydrophobicContact CE1-CD2 4.11Å; Y1201-L1205 VanDerWaalsContact O-CB 3.27Å; Y1201-L1205 WeakPolarHBondContact O-CB 3.39Å; Y1201-L1205 PolarHBondContact O-N 3.46Å
1202	H	86.7	Confident	81.5	Confident	46 Å²	46	52.4 Å²	52.4	21%	0.213	27%	0.274	C	S	.	.	H	α-helix	trans	-56.1	-55.6	176	-176.3	86.1	0	0	0	111	I1089 Y1116 W1198 N1199 L1204 L1205 E1206	I1089-H1202 PolarHBondContact O-CE1 2.89Å; Y1116-H1202 AromaticContact CE1-ND1 3.32Å; Y1116-H1202 VanDerWaalsContact CE1-ND1 3.32Å; Y1116-H1202 WeakPolarHBondContact CE1-ND1 3.37Å; Y1116-H1202 AromaticContact CZ-ND1 3.48Å; Y1116-H1202 VanDerWaalsContact OH-CB 3.3Å; Y1116-H1202 WeakPolarHBondContact OH-CB 3.37Å; Y1116-H1202 PolarHBondContact OH-ND1 3.24Å; W1198-H1202 WeakPolarHBondContact O-CB 3.42Å; W1198-H1202 PolarHBondContact O-N 2.89Å; N1199-H1202 VanDerWaalsContact O-CB 3.32Å; N1199-H1202 WeakPolarHBondContact O-CB 3.21Å; N1199-H1202 PolarHBondContact O-N 3.38Å; N1199-H1202 VanDerWaalsContact O-N 3.15Å; H1202-L1204 VanDerWaalsContact C-N 3.26Å; H1202-L1204 PolarHBondContact O-N 3.35Å; H1202-L1205 PolarHBondContact O-N 3.48Å; H1202-E1206 IonicContact CD2-OE2 2.8Å; H1202-E1206 IonicContact NE2-OE2 2.81Å; H1202-E1206 WeakPolarHBondContact O-CB 3.49Å; H1202-E1206 PolarHBondContact O-N 3.44Å
1203	T	86.1	Confident	81.8	Confident	86 Å²	86	53.1 Å²	53.1	53%	0.528	28%	0.278	S	S	.	.	H	α-helix	trans	-60.6	-37.6	-179.1	-55.9	0	0	0	0	111.7	N1199 K1207	N1199-T1203 PolarHBondContact O-N 2.89Å; N1199-T1203 PolarHBondContact O-OG1 2.87Å; T1203-K1207 WeakPolarHBondContact O-CB 3.42Å; T1203-K1207 PolarHBondContact O-N 2.99Å
1204	L	87.5	Confident	82.1	Confident	29 Å²	29	56 Å²	56	15%	0.152	29%	0.294	C	S	.	.	H	α-helix	trans	-70.2	-45.4	178	-174.4	66.3	0	0	0	112.3	L1145 E1148 L1149 D1200 Y1201 H1202 E1206 K1207 C1208	L1145-L1204 HydrophobicContact CD1-CB 4.46Å; L1145-L1204 HydrophobicContact CD1-CD2 3.77Å; L1145-L1204 HydrophobicContact CD1-CG 3.75Å; E1148-L1204 HydrophobicContact CB-CD1 3.54Å; E1148-L1204 HydrophobicContact CB-CD2 3.82Å; E1148-L1204 HydrophobicContact CB-CG 4.2Å; E1148-L1204 HydrophobicContact CG-CD1 3.83Å; L1149-L1204 HydrophobicContact CD2-CD2 3.58Å; L1149-L1204 HydrophobicContact CG-CD2 3.73Å; D1200-L1204 VanDerWaalsContact O-CB 3.26Å; D1200-L1204 WeakPolarHBondContact O-CB 3.27Å; D1200-L1204 PolarHBondContact O-N 3.5Å; Y1201-L1204 PolarHBondContact O-N 3.05Å; H1202-L1204 VanDerWaalsContact C-N 3.26Å; H1202-L1204 PolarHBondContact O-N 3.35Å; L1204-E1206 VanDerWaalsContact C-N 3.28Å; L1204-E1206 PolarHBondContact O-N 3.03Å; L1204-K1207 PolarHBondContact O-N 2.88Å; L1204-C1208 PolarHBondContact O-N 3.44Å; L1204-C1208 PolarHBondContact O-SG 2.94Å; L1204-C1208 VanDerWaalsContact O-SG 3.33Å
1205	L	88.1	Confident	82.1	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59.1	-45	175.7	-179.8	63.6	0	0	0	110	I1089 V1114 Y1116 A1121 I1141 L1145 L1177 Y1201 H1202 C1208 V1209	I1089-L1205 HydrophobicContact CG2-CD2 4.09Å; I1089-L1205 HydrophobicContact CG2-CG 4.36Å; V1114-L1205 HydrophobicContact CG1-CD2 4.19Å; Y1116-L1205 HydrophobicContact CD1-CD2 3.95Å; Y1116-L1205 HydrophobicContact CG-CD2 4.19Å; A1121-L1205 HydrophobicContact CB-CD2 4.45Å; I1141-L1205 HydrophobicContact CG2-CD1 4.37Å; L1145-L1205 HydrophobicContact CD2-CD1 3.95Å; L1177-L1205 HydrophobicContact CD1-CD1 3.95Å; Y1201-L1205 HydrophobicContact CE1-CD2 4.11Å; Y1201-L1205 VanDerWaalsContact O-CB 3.27Å; Y1201-L1205 WeakPolarHBondContact O-CB 3.39Å; Y1201-L1205 PolarHBondContact O-N 3.46Å; H1202-L1205 PolarHBondContact O-N 3.48Å; L1205-C1208 PolarHBondContact O-N 3.48Å; L1205-V1209 HydrophobicContact CD1-CG2 4Å; L1205-V1209 HydrophobicContact CG-CG2 4.26Å; L1205-V1209 WeakPolarHBondContact O-CB 3.41Å; L1205-V1209 WeakPolarHBondContact O-CG2 3.36Å; L1205-V1209 PolarHBondContact O-N 3.49Å
1206	E	87.2	Confident	81.6	Confident	73 Å²	73	52 Å²	52	34%	0.341	28%	0.281	S	S	.	.	H	α-helix	trans	-58.5	-49.6	176.6	-177.4	178.9	-167.9	0	0	112.3	I1089 H1202 L1204 C1208 V1209 N1210	I1089-E1206 HydrophobicContact CD1-CB 4.05Å; I1089-E1206 HydrophobicContact CD1-CG 4.11Å; H1202-E1206 IonicContact CD2-OE2 2.8Å; H1202-E1206 IonicContact NE2-OE2 2.81Å; H1202-E1206 WeakPolarHBondContact O-CB 3.49Å; H1202-E1206 PolarHBondContact O-N 3.44Å; L1204-E1206 VanDerWaalsContact C-N 3.28Å; L1204-E1206 PolarHBondContact O-N 3.03Å; E1206-C1208 VanDerWaalsContact C-N 3.35Å; E1206-C1208 PolarHBondContact O-N 3.5Å; E1206-V1209 PolarHBondContact O-N 3.34Å; E1206-N1210 WeakPolarHBondContact CG-ND2 3.3Å; E1206-N1210 WeakPolarHBondContact O-CB 3.39Å; E1206-N1210 PolarHBondContact O-N 3.12Å; E1206-N1210 PolarHBondContact O-ND2 3.17Å
1207	K	86.9	Confident	81.1	Confident	127 Å²	127	54.4 Å²	54.4	55%	0.552	30%	0.296	S	S	*	.	H	α-helix	trans	-56.8	-46.3	174.8	-176.4	-174.1	175.4	-164.8	0	112	E1148 T1203 L1204 S1211	E1148-K1207 IonicContact OE1-NZ 2.83Å; E1148-K1207 PolarHBondContact OE1-NZ 3.31Å; T1203-K1207 WeakPolarHBondContact O-CB 3.42Å; T1203-K1207 PolarHBondContact O-N 2.99Å; L1204-K1207 PolarHBondContact O-N 2.88Å; K1207-S1211 VanDerWaalsContact O-CB 3.22Å; K1207-S1211 WeakPolarHBondContact O-CB 3.4Å; K1207-S1211 PolarHBondContact O-N 3.46Å
1208	C	88.9	Confident	80	Confident	6 Å²	6	52.5 Å²	52.5	4%	0.041	28%	0.284	C	S	.	.	H	α-helix	trans	-67.6	-43.6	-178.8	-70.2	0	0	0	0	112.5	I1141 L1144 L1204 L1205 E1206 S1211 I1212	I1141-C1208 HydrophobicContact CG2-CB 4.32Å; L1144-C1208 HydrophobicContact CB-CB 4.24Å; L1204-C1208 PolarHBondContact O-N 3.44Å; L1204-C1208 PolarHBondContact O-SG 2.94Å; L1204-C1208 VanDerWaalsContact O-SG 3.33Å; L1205-C1208 PolarHBondContact O-N 3.48Å; E1206-C1208 VanDerWaalsContact C-N 3.35Å; E1206-C1208 PolarHBondContact O-N 3.5Å; C1208-S1211 PolarHBondContact O-N 3.45Å; C1208-I1212 WeakPolarHBondContact O-CG1 3.4Å; C1208-I1212 PolarHBondContact O-N 3.08Å
1209	V	86.8	Confident	78.6	Confident	0 Å²	0	54 Å²	54	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-64.9	-50.3	179.2	172.5	0	0	0	0	110.2	A1087 I1089 V1114 I1141 L1205 E1206 S1211 I1212 L1213	A1087-V1209 HydrophobicContact CB-CG1 3.63Å; I1089-V1209 HydrophobicContact CD1-CB 3.59Å; I1089-V1209 HydrophobicContact CD1-CG1 3.72Å; I1089-V1209 HydrophobicContact CD1-CG2 3.99Å; I1089-V1209 HydrophobicContact CG1-CG1 4.47Å; V1114-V1209 HydrophobicContact CG2-CG1 4.21Å; V1114-V1209 HydrophobicContact CG2-CG2 4.18Å; I1141-V1209 HydrophobicContact CD1-CG2 4.06Å; I1141-V1209 HydrophobicContact CG1-CG2 4.43Å; I1141-V1209 HydrophobicContact CG2-CG2 4.01Å; L1205-V1209 HydrophobicContact CD1-CG2 4Å; L1205-V1209 HydrophobicContact CG-CG2 4.26Å; L1205-V1209 WeakPolarHBondContact O-CB 3.41Å; L1205-V1209 WeakPolarHBondContact O-CG2 3.36Å; L1205-V1209 PolarHBondContact O-N 3.49Å; E1206-V1209 PolarHBondContact O-N 3.34Å; V1209-S1211 VanDerWaalsContact C-N 3.3Å; V1209-S1211 PolarHBondContact O-N 2.9Å; V1209-I1212 PolarHBondContact O-N 2.76Å; V1209-I1212 VanDerWaalsContact O-N 3.1Å; V1209-L1213 HydrophobicContact CG1-CD1 3.79Å; V1209-L1213 HydrophobicContact CG1-CG 4.39Å; V1209-L1213 WeakPolarHBondContact O-CG 3.38Å; V1209-L1213 PolarHBondContact O-N 3.33Å
1210	N	84.1	Confident	77.1	Confident	23 Å²	23	57.7 Å²	57.7	12%	0.123	32%	0.322	C	S	.	.	H	α-helix	trans	-63.8	-36.1	179.9	-72.6	-28.1	0	0	0	111.8	A1087 E1206 I1212 L1213 L1214	A1087-N1210 PolarHBondContact N-OD1 3.4Å; E1206-N1210 WeakPolarHBondContact CG-ND2 3.3Å; E1206-N1210 WeakPolarHBondContact O-CB 3.39Å; E1206-N1210 PolarHBondContact O-N 3.12Å; E1206-N1210 PolarHBondContact O-ND2 3.17Å; N1210-I1212 VanDerWaalsContact C-N 3.29Å; N1210-I1212 PolarHBondContact O-N 2.92Å; N1210-L1213 PolarHBondContact O-N 3.45Å; N1210-L1214 WeakPolarHBondContact O-CB 3.32Å; N1210-L1214 VanDerWaalsContact O-CG 3.26Å; N1210-L1214 WeakPolarHBondContact O-CG 3.49Å; N1210-L1214 PolarHBondContact O-N 2.94Å
1211	S	84.5	Confident	75.2	Confident	68 Å²	68	55.6 Å²	55.6	48%	0.476	31%	0.313	S	S	.	.	H	α-helix	trans	-62.1	-33.7	174.1	-178.4	0	0	0	0	113.5	K1207 C1208 V1209 S1215	K1207-S1211 VanDerWaalsContact O-CB 3.22Å; K1207-S1211 WeakPolarHBondContact O-CB 3.4Å; K1207-S1211 PolarHBondContact O-N 3.46Å; C1208-S1211 PolarHBondContact O-N 3.45Å; V1209-S1211 VanDerWaalsContact C-N 3.3Å; V1209-S1211 PolarHBondContact O-N 2.9Å; S1211-S1215 PolarHBondContact O-N 2.85Å
1212	I	84.1	Confident	74.6	Confident	17 Å²	17	58.3 Å²	58.3	9%	0.087	33%	0.328	C	S	.	.	H	α-helix	trans	-78	-40.3	176.9	-67.3	-58.5	0	0	0	110.8	L1137 M1140 I1141 L1144 C1208 V1209 N1210 S1215	L1137-I1212 HydrophobicContact CD2-CG2 3.68Å; M1140-I1212 HydrophobicContact CB-CD1 3.81Å; M1140-I1212 HydrophobicContact CB-CG1 4.27Å; I1141-I1212 HydrophobicContact CG1-CB 4.16Å; I1141-I1212 HydrophobicContact CG1-CG1 3.88Å; I1141-I1212 HydrophobicContact CG1-CG2 4.4Å; L1144-I1212 HydrophobicContact CD1-CD1 3.49Å; L1144-I1212 VanDerWaalsContact CD1-CD1 3.49Å; L1144-I1212 HydrophobicContact CD1-CG1 3.73Å; L1144-I1212 HydrophobicContact CG-CD1 4.38Å; C1208-I1212 WeakPolarHBondContact O-CG1 3.4Å; C1208-I1212 PolarHBondContact O-N 3.08Å; V1209-I1212 PolarHBondContact O-N 2.76Å; V1209-I1212 VanDerWaalsContact O-N 3.1Å; N1210-I1212 VanDerWaalsContact C-N 3.29Å; N1210-I1212 PolarHBondContact O-N 2.92Å; I1212-S1215 VanDerWaalsContact O-CB 3.23Å; I1212-S1215 WeakPolarHBondContact O-CB 3.06Å; I1212-S1215 PolarHBondContact O-N 3.03Å; I1212-S1215 VanDerWaalsContact O-N 3.16Å
1213	L	77.1	Confident	74	Confident	15 Å²	15	58.9 Å²	58.9	8%	0.079	33%	0.334	C	S	.	.	H	α-helix	trans	-68.8	-33	179.9	-68	175.3	0	0	0	113.3	A1087 P1112 F1125 V1209 N1210 S1215 Y1218	A1087-L1213 HydrophobicContact CB-CD1 3.42Å; A1087-L1213 VanDerWaalsContact CB-CD1 3.42Å; P1112-L1213 HydrophobicContact CB-CD1 3.88Å; P1112-L1213 HydrophobicContact CB-CD2 4.26Å; P1112-L1213 HydrophobicContact CG-CD1 4.08Å; P1112-L1213 HydrophobicContact CG-CD2 3.98Å; F1125-L1213 HydrophobicContact CD1-CD2 4.19Å; F1125-L1213 HydrophobicContact CE1-CD2 4.09Å; V1209-L1213 HydrophobicContact CG1-CD1 3.79Å; V1209-L1213 HydrophobicContact CG1-CG 4.39Å; V1209-L1213 WeakPolarHBondContact O-CG 3.38Å; V1209-L1213 PolarHBondContact O-N 3.33Å; N1210-L1213 PolarHBondContact O-N 3.45Å; L1213-S1215 VanDerWaalsContact C-N 3.28Å; L1213-Y1218 HydrophobicContact CD2-CD1 4.05Å; L1213-Y1218 HydrophobicContact CD2-CD2 3.67Å; L1213-Y1218 HydrophobicContact CD2-CE1 3.83Å; L1213-Y1218 HydrophobicContact CD2-CE2 3.43Å; L1213-Y1218 VanDerWaalsContact CD2-CE2 3.43Å; L1213-Y1218 HydrophobicContact CD2-CG 3.98Å
1214	L	73.6	Confident	73.3	Confident	122 Å²	122	57.4 Å²	57.4	64%	0.639	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-7.9	173.8	-66	170.2	0	0	0	113.1	N1210	N1210-L1214 WeakPolarHBondContact O-CB 3.32Å; N1210-L1214 VanDerWaalsContact O-CG 3.26Å; N1210-L1214 WeakPolarHBondContact O-CG 3.49Å; N1210-L1214 PolarHBondContact O-N 2.94Å
1215	S	69.9	Low	72.5	Confident	36 Å²	36	59.1 Å²	59.1	25%	0.252	33%	0.333	S	S	.	.	S	Bend	trans	-73.4	139.9	177.9	-179.9	0	0	0	0	110.6	S1211 I1212 L1213 V1217 Y1218	S1211-S1215 PolarHBondContact O-N 2.85Å; I1212-S1215 VanDerWaalsContact O-CB 3.23Å; I1212-S1215 WeakPolarHBondContact O-CB 3.06Å; I1212-S1215 PolarHBondContact O-N 3.03Å; I1212-S1215 VanDerWaalsContact O-N 3.16Å; L1213-S1215 VanDerWaalsContact C-N 3.28Å; S1215-V1217 PolarHBondContact O-N 3.2Å; S1215-V1217 WeakPolarHBondContact OG-CG2 3.19Å; S1215-V1217 PolarHBondContact OG-N 3.24Å; S1215-Y1218 PolarHBondContact O-N 2.83Å
1216	P	58.4	Low	71.5	Confident	104 Å²	104	62.8 Å²	62.8	68%	0.675	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-10.7	173.3	22.3	-31.8	0	0	0	113.8
1217	V	61.2	Low	70.5	Confident	63 Å²	63	62.1 Å²	62.1	38%	0.382	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-38	171.5	179.7	0	0	0	0	111.7	M1140 S1215 G1219 K1220 T1221	M1140-V1217 HydrophobicContact CE-CG1 4.14Å; M1140-V1217 HydrophobicContact SD-CG1 4.04Å; S1215-V1217 PolarHBondContact O-N 3.2Å; S1215-V1217 WeakPolarHBondContact OG-CG2 3.19Å; S1215-V1217 PolarHBondContact OG-N 3.24Å; V1217-G1219 VanDerWaalsContact C-N 3.28Å; V1217-G1219 PolarHBondContact O-N 2.72Å; V1217-K1220 PolarHBondContact O-N 3.16Å; V1217-T1221 HydrophobicContact CG1-CG2 4.35Å; V1217-T1221 PolarHBondContact O-N 2.71Å; V1217-T1221 PolarHBondContact O-OG1 3.28Å
1218	Y	57.2	Low	69.3	Low	35 Å²	35	57.4 Å²	57.4	14%	0.137	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-27.5	-178.7	-174.5	-111.1	0	0	0	112.9	P1112 F1125 L1137 L1213 S1215 T1221	P1112-Y1218 WeakPolarHBondContact CG-OH 3.44Å; F1125-Y1218 HydrophobicContact CD1-CE2 4.36Å; L1137-Y1218 HydrophobicContact CD1-CD2 3.74Å; L1137-Y1218 HydrophobicContact CD1-CE2 3.59Å; L1137-Y1218 HydrophobicContact CD2-CD2 3.85Å; L1137-Y1218 HydrophobicContact CG-CD2 4.47Å; L1213-Y1218 HydrophobicContact CD2-CD1 4.05Å; L1213-Y1218 HydrophobicContact CD2-CD2 3.67Å; L1213-Y1218 HydrophobicContact CD2-CE1 3.83Å; L1213-Y1218 HydrophobicContact CD2-CE2 3.43Å; L1213-Y1218 VanDerWaalsContact CD2-CE2 3.43Å; L1213-Y1218 HydrophobicContact CD2-CG 3.98Å; S1215-Y1218 PolarHBondContact O-N 2.83Å; Y1218-T1221 PolarHBondContact O-OG1 3.09Å
1219	G	53.5	Low	67.8	Low	71 Å²	71	61.4 Å²	61.4	73%	0.732	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-8.1	175.7	0	0	0	0	0	115.2	V1217	V1217-G1219 VanDerWaalsContact C-N 3.28Å; V1217-G1219 PolarHBondContact O-N 2.72Å
1220	K	48.6	Very low	66.2	Low	195 Å²	195	66.5 Å²	66.5	85%	0.848	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	-4.3	-179.8	-75.4	-173.2	177	-176.6	0	114	V1217	V1217-K1220 PolarHBondContact O-N 3.16Å
1221	T	42.7	Very low	64.6	Low	49 Å²	49	70.5 Å²	70.5	30%	0.301	42%	0.419	S	S	.	.			trans	-108.5	0	175.9	51.7	0	0	0	0	111.8	V1217 Y1218	V1217-T1221 HydrophobicContact CG1-CG2 4.35Å; V1217-T1221 PolarHBondContact O-N 2.71Å; V1217-T1221 PolarHBondContact O-OG1 3.28Å; Y1218-T1221 PolarHBondContact O-OG1 3.09Å

Retrieved 1,221 of 1,221 residues in 1443.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).